NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
2501 |
1bzf   |
4262 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! trimetrexate (TMQ) is labelled as residue 170 ! ! NOE restraints !--------------------------------------- ! Long-range noes ! r-6 averaging for aromatics and some others assign (resid 1 and name hg2*) (resid 106 and name hd* ) 5.5 5.5 0.0 assign (resid 3 and name ha ) (resid 103 and name he* ) 3.5 3.5 0.0 assign (resid 3 and name ha ) (resid 110 and name hg* ) 5.5 5.5 0.0 assign (resid 3 and name hb1 ) (resid 103 and name he* ) 4.5 4.5 0.0 assign (resid 3 and name hd* ) (resid 96 and name hb ) 3.5 3.5 0.5 assign (resid 3 and name hd* ) (resid 96 and name hn ) 4.5 4.5 0.0 assign (resid 3 and name hd* ) (resid 96 and name hg1*) 4.5 4.5 0.0 assign (resid 3 and name hd* ) (resid 96 and name hg2*) 5.5 5.5 0.0 assign (resid 3 and name hd* ) (resid 103 and name hd* ) 4.5 4.5 0.0 assign (resid 3 and name hd* ) (resid 110 and name hg1*) 5.5 5.5 0.0 assign (resid 3 and name hd* ) (resid 110 and name hg2*) 3.5 3.5 0.0 assign (resid 3 and name hd* ) (resid 113 and name hd2*) 4.5 4.5 0.0 assign (resid 3 and name hd* ) (resid 128 and name he* ) 3.5 3.5 1.0 assign (resid 3 and name hd* ) (resid 131 and name hd2*) 4.5 4.5 0.0 assign (resid 3 and name he* ) (resid 96 and name hg1*) 4.5 4.5 0.0 assign (resid 3 and name he* ) (resid 103 and name hb1 ) 4.5 4.5 0.0 assign (resid 3 and name he* ) (resid 103 and name hb2 ) 5.5 5.5 0.0 assign (resid 3 and name he* ) (resid 103 and name hd* ) 4.5 4.5 0.0 assign (resid 3 and name he* ) (resid 106 and name hn ) 5.5 5.5 0.0 assign (resid 3 and name he* ) (resid 106 and name hb1 ) 3.5 3.5 0.0 assign (resid 3 and name he* ) (resid 106 and name hb2 ) 4.5 4.5 0.0 assign (resid 3 and name he* ) (resid 106 and name hd* ) 5.5 5.5 0.5 assign (resid 3 and name he* ) (resid 107 and name hn ) 5.5 5.5 0.0 assign (resid 3 and name he* ) (resid 107 and name ha ) 3.5 3.5 0.5 assign (resid 3 and name he* ) (resid 110 and name hb ) 3.5 3.5 0.0 assign (resid 3 and name he* ) (resid 128 and name he* ) 4.5 4.5 0.0 assign (resid 3 and name he* ) (resid 129 and name hd1*) 4.5 4.5 0.0 assign (resid 3 and name he* ) (resid 131 and name hd1*) 5.5 5.5 0.0 assign (resid 3 and name he* ) (resid 131 and name hd2*) 4.5 4.5 0.0 assign (resid 3 and name hz ) (resid 103 and name hd* ) 5.5 5.5 0.0 assign (resid 3 and name hz ) (resid 110 and name hg* ) 4.5 4.5 0.0 assign (resid 4 and name hb1 ) (resid 30 and name he* ) 10.0 5.5 0.0 assign (resid 4 and name hg ) (resid 30 and name hd* ) 4.5 4.5 0.5 assign (resid 4 and name hg ) (resid 30 and name he* ) 5.5 5.5 0.0 assign (resid 4 and name hd1*) (resid 29 and name hd* ) 5.5 5.5 0.0 assign (resid 4 and name hd1*) (resid 29 and name he* ) 3.5 3.5 1.0 assign (resid 4 and name hd2*) (resid 29 and name he* ) 5.5 5.5 1.0 assign (resid 4 and name hd1*) (resid 30 and name hd* ) 5.5 5.5 0.0 assign (resid 4 and name hd2*) (resid 30 and name hd* ) 3.5 3.5 0.0 assign (resid 4 and name hd2*) (resid 30 and name he* ) 3.5 3.5 0.0 assign (resid 4 and name hb* ) (resid 95 and name hg* ) 3.5 3.5 0.5 assign (resid 4 and name hn ) (resid 103 and name hd* ) 5.5 5.5 0.0 assign (resid 4 and name hn ) (resid 103 and name he* ) 3.5 3.5 0.0 assign (resid 5 and name hb* ) (resid 103 and name he* ) 3.5 3.5 0.0 assign (resid 6 and name ha ) (resid 115 and name hg* ) 5.5 5.5 0.0 assign (resid 6 and name hb* ) (resid 19 and name hd* ) 4.5 4.5 0.0 assign (resid 7 and name hb* ) (resid 11 and name ha* ) 3.5 3.5 0.5 assign (resid 7 and name hg* ) (resid 115 and name hg1*) 5.5 5.5 0.5 assign (resid 7 and name hg* ) (resid 115 and name hg2*) 3.5 3.5 0.0 assign (resid 8 and name hb1 ) (resid 122 and name hd* ) 3.5 3.5 0.0 assign (resid 8 and name hb2 ) (resid 122 and name hd* ) 3.5 3.5 0.5 assign (resid 13 and name ha ) (resid 19 and name hd* ) 5.5 5.5 1.5 assign (resid 13 and name hd1*) (resid 103 and name hd* ) 5.5 5.5 0.5 assign (resid 13 and name hd1*) (resid 103 and name he* ) 5.5 5.5 0.5 assign (resid 14 and name ha* ) (resid 20 and name hd* ) 3.5 3.5 0.0 assign (resid 15 and name hb* ) (resid 124 and name ha* ) 3.5 3.5 0.0 assign (resid 21 and name hb1 ) (resid 122 and name he* ) 5.5 5.5 0.0 assign (resid 21 and name he3 ) (resid 122 and name hd* ) 3.5 3.5 0.0 assign (resid 21 and name he3 ) (resid 122 and name he* ) 5.5 5.5 0.0 assign (resid 21 and name hz3 ) (resid 122 and name hd* ) 4.5 4.5 0.0 assign (resid 26 and name ha ) (resid 155 and name he* ) 4.5 4.5 0.0 assign (resid 26 and name hb2 ) (resid 155 and name he* ) 5.5 5.5 0.0 assign (resid 29 and name hb1 ) (resid 155 and name he* ) 4.5 4.5 0.0 assign (resid 29 and name hb2 ) (resid 155 and name he* ) 4.5 4.5 0.0 assign (resid 29 and name hd* ) (resid 155 and name hd* ) 5.5 5.5 0.0 assign (resid 29 and name hd* ) (resid 155 and name he* ) 4.5 4.5 0.0 assign (resid 29 and name he* ) (resid 114 and name hb1 ) 4.5 4.5 0.0 assign (resid 29 and name he* ) (resid 114 and name hb2 ) 5.5 5.5 0.5 assign (resid 29 and name he* ) (resid 114 and name hd1*) 5.5 5.5 0.0 assign (resid 29 and name he* ) (resid 155 and name hb* ) 4.5 4.5 0.0 assign (resid 29 and name he* ) (resid 155 and name hd* ) 5.5 5.5 0.0 assign (resid 29 and name he* ) (resid 155 and name he* ) 5.5 5.5 0.5 assign (resid 30 and name hd* ) (resid 54 and name hd1*) 5.5 5.5 0.0 assign (resid 30 and name hd* ) (resid 97 and name hb* ) 5.5 5.5 1.0 assign (resid 30 and name he* ) (resid 39 and name he* ) 5.5 5.5 1.0 assign (resid 30 and name he* ) (resid 41 and name hg1*) 5.5 5.5 1.0 assign (resid 30 and name he* ) (resid 97 and name hb* ) 2.5 2.5 1.0 assign (resid 30 and name he* ) (resid 54 and name hd1*) 3.5 3.5 0.0 assign (resid 35 and name hg* ) (resid 57 and name he ) 5.5 5.5 0.0 assign (resid 35 and name hg* ) (resid 57 and name hb* ) 5.5 5.5 1.0 assign (resid 38 and name hn ) (resid 95 and name hg* ) 5.5 5.5 0.0 assign (resid 38 and name hg1*) (resid 85 and name hd* ) 5.5 5.5 0.0 assign (resid 38 and name hg1*) (resid 85 and name he* ) 4.5 4.5 0.0 assign (resid 38 and name hg2*) (resid 85 and name hd* ) 4.5 4.5 0.0 assign (resid 38 and name hg2*) (resid 85 and name he* ) 5.5 5.5 0.0 assign (resid 38 and name hd1*) (resid 85 and name hd* ) 3.5 3.5 0.0 assign (resid 38 and name hd1*) (resid 85 and name he* ) 3.5 3.5 0.0 assign (resid 39 and name ha ) (resid 95 and name hg* ) 4.5 4.5 0.5 assign (resid 39 and name he* ) (resid 57 and name hd* ) 3.5 3.5 1.0 assign (resid 40 and name hg*) (resid 60 and name hg*) 4.5 4.5 0.0 assign (resid 40 and name hg* ) (resid 82 and name hg* ) 4.5 4.5 0.0 assign (resid 40 and name hg* ) (resid 96 and name hd1*) 4.5 4.5 0.0 assign (resid 41 and name hg1*) (resid 46 and name hd* ) 5.5 5.5 1.0 assign (resid 41 and name hg2*) (resid 46 and name hd* ) 3.5 3.5 0.0 assign (resid 41 and name hg1*) (resid 49 and name hd* ) 5.5 1.5 2.0 assign (resid 41 and name hg2*) (resid 49 and name hd* ) 5.5 5.5 0.0 assign (resid 41 and name hg* ) (resid 97 and name hb* ) 5.5 5.5 0.0 assign (resid 43 and name ha ) (resid 68 and name he* ) 5.5 5.5 0.0 assign (resid 43 and name hn ) (resid 61 and name hg* ) 5.5 5.5 0.0 assign (resid 43 and name hb* ) (resid 68 and name hd* ) 5.5 5.5 1.0 assign (resid 43 and name hb* ) (resid 68 and name he* ) 5.5 5.5 1.0 assign (resid 43 and name hd* ) (resid 68 and name hd* ) 3.5 3.5 0.5 assign (resid 43 and name hd* ) (resid 68 and name he* ) 4.5 4.5 0.0 assign (resid 46 and name hb* ) (resid 61 and name hg1*) 4.5 4.5 0.0 assign (resid 46 and name hb* ) (resid 61 and name hg2*) 3.5 3.5 0.0 assign (resid 46 and name hd* ) (resid 52 and name hg* ) 5.5 5.5 0.5 assign (resid 46 and name hd* ) (resid 59 and name hb1 ) 5.5 5.5 0.0 assign (resid 46 and name hd* ) (resid 61 and name hg1*) 5.5 5.5 0.0 assign (resid 46 and name hd* ) (resid 61 and name hg2*) 4.5 4.5 0.0 assign (resid 46 and name hd* ) (resid 68 and name he* ) 4.5 4.5 0.0 assign (resid 46 and name hd* ) (resid 70 and name ha ) 5.5 5.5 0.0 assign (resid 46 and name he* ) (resid 70 and name hb* ) 4.5 4.5 0.0 assign (resid 46 and name he* ) (resid 54 and name hn ) 5.5 5.5 0.5 assign (resid 49 and name hb* ) (resid 54 and name hd2*) 5.5 5.5 0.0 assign (resid 49 and name hd* ) (resid 54 and name hg ) 4.5 4.5 0.0 assign (resid 49 and name hd* ) (resid 54 and name hd1*) 5.5 5.5 0.0 assign (resid 49 and name hd* ) (resid 54 and name hd2*) 5.5 5.5 0.0 assign (resid 49 and name he* ) (resid 54 and name hd1*) 3.5 3.5 0.0 assign (resid 49 and name he* ) (resid 54 and name hd2*) 5.5 5.5 0.0 assign (resid 53 and name hb* ) (resid 59 and name hd2*) 4.5 4.5 0.0 assign (resid 60 and name hg2*) (resid 85 and name hd* ) 5.5 5.5 0.0 assign (resid 60 and name hg2*) (resid 85 and name he* ) 5.5 5.5 0.5 assign (resid 61 and name hb ) (resid 68 and name hd* ) 4.5 4.5 0.0 assign (resid 61 and name hb ) (resid 68 and name he* ) 5.5 5.5 0.0 assign (resid 61 and name hb ) (resid 75 and name hg* ) 3.5 3.5 0.0 assign (resid 61 and name hg* ) (resid 68 and name hd* ) 5.5 5.5 0.0 assign (resid 61 and name hg1*) (resid 68 and name he* ) 4.5 4.5 0.0 assign (resid 61 and name hg2*) (resid 68 and name he* ) 4.5 4.5 0.0 assign (resid 63 and name hg2*) (resid 68 and name hd* ) 4.5 4.5 0.0 assign (resid 68 and name hd* ) (resid 75 and name hb ) 5.5 5.5 1.0 assign (resid 68 and name hd* ) (resid 75 and name hg* ) 4.5 4.5 0.0 assign (resid 68 and name he* ) (resid 75 and name hg* ) 5.5 5.5 0.5 assign (resid 70 and name hn ) (resid 75 and name hg* ) 3.5 3.5 0.5 assign (resid 70 and name hb* ) (resid 75 and name hg* ) 4.5 4.5 0.0 assign (resid 74 and name hg* ) (resid 85 and name he* ) 5.5 5.5 0.0 assign (resid 79 and name hg* ) (resid 105 and name ha ) 5.5 5.5 0.0 assign (resid 79 and name hg* ) (resid 105 and name hb* ) 4.5 4.5 0.0 assign (resid 79 and name hg* ) (resid 106 and name hd* ) 5.5 5.5 0.0 assign (resid 79 and name hg* ) (resid 106 and name he* ) 5.5 5.5 0.5 assign (resid 79 and name hg* ) (resid 106 and name hz ) 4.5 4.5 0.0 assign (resid 82 and name hb ) (resid 106 and name hd* ) 5.5 5.5 1.0 assign (resid 82 and name hb ) (resid 106 and name he* ) 3.5 3.5 0.0 assign (resid 82 and name hg2*) (resid 106 and name he* ) 5.5 5.5 0.0 assign (resid 86 and name hn ) (resid 94 and name hd* ) 5.5 5.5 0.0 assign (resid 86 and name hb* ) (resid 94 and name hd* ) 3.5 3.5 0.0 assign (resid 96 and name hb ) (resid 103 and name hd* ) 4.5 4.5 0.0 assign (resid 96 and name hb ) (resid 103 and name he* ) 5.5 5.5 0.0 assign (resid 96 and name hg1*) (resid 103 and name he* ) 5.5 5.5 0.0 assign (resid 96 and name hg1*) (resid 106 and name hd* ) 5.5 5.5 0.5 assign (resid 96 and name hg2*) (resid 103 and name hd* ) 3.5 3.5 0.5 assign (resid 96 and name hg2*) (resid 103 and name he* ) 3.5 3.5 0.0 assign (resid 96 and name hg2*) (resid 106 and name hd* ) 4.5 4.5 0.0 assign (resid 96 and name hd1*) (resid 106 and name hd* ) 4.5 4.5 0.0 assign (resid 96 and name hd1*) (resid 106 and name he* ) 4.5 4.5 0.0 assign (resid 98 and name hn ) (resid 103 and name he* ) 5.5 5.5 0.0 assign (resid 98 and name ha* ) (resid 103 and name he* ) 4.5 4.5 0.0 assign (resid 103 and name hd* ) (resid 128 and name he* ) 3.5 3.5 0.5 assign (resid 103 and name hd* ) (resid 129 and name hd1*) 5.5 5.5 0.0 assign (resid 103 and name he* ) (resid 128 and name he* ) 4.5 4.5 0.5 assign (resid 110 and name hg* ) (resid 131 and name hd2*) 5.5 5.5 0.0 assign (resid 111 and name ha ) (resid 136 and name hd* ) 5.5 5.5 0.0 assign (resid 111 and name ha ) (resid 136 and name he* ) 4.5 4.5 0.0 assign (resid 112 and name ha ) (resid 159 and name hg* ) 4.5 4.5 0.0 assign (resid 113 and name hn ) (resid 136 and name hd* ) 5.5 5.5 0.0 assign (resid 113 and name hn ) (resid 136 and name he* ) 5.5 5.5 0.5 assign (resid 113 and name hg ) (resid 136 and name hd* ) 5.5 5.5 0.0 assign (resid 113 and name hd1*) (resid 136 and name hd* ) 4.5 4.5 0.0 assign (resid 113 and name hd1*) (resid 136 and name he* ) 5.5 5.5 0.0 assign (resid 113 and name hd2*) (resid 136 and name hd* ) 5.5 5.5 1.0 assign (resid 113 and name hd2*) (resid 136 and name he* ) 5.5 5.5 0.0 assign (resid 115 and name hg1*) (resid 158 and name he1 ) 3.5 3.5 0.0 assign (resid 115 and name hg* ) (resid 156 and name hb* ) 4.5 4.5 0.0 assign (resid 115 and name hg* ) (resid 156 and name hn ) 5.5 5.5 0.0 assign (resid 116 and name ha ) (resid 155 and name hd* ) 4.5 4.5 0.0 assign (resid 116 and name hg1 ) (resid 155 and name hd* ) 5.5 5.5 0.0 assign (resid 116 and name hg1 ) (resid 155 and name he* ) 4.5 4.5 0.0 assign (resid 116 and name hg2*) (resid 155 and name he* ) 4.5 4.5 0.0 assign (resid 116 and name hg2*) (resid 155 and name hd* ) 3.5 3.5 0.0 assign (resid 120 and name ha* ) (resid 150 and name hb* ) 3.5 3.5 0.0 assign (resid 122 and name he* ) (resid 150 and name hb* ) 5.5 5.5 0.0 assign (resid 122 and name he* ) (resid 151 and name hd2*) 5.5 5.5 0.0 assign (resid 136 and name hd* ) (resid 158 and name hb1 ) 4.5 4.5 0.0 assign (resid 136 and name hd* ) (resid 159 and name ha ) 4.5 4.5 0.5 assign (resid 136 and name hd* ) (resid 160 and name hn ) 4.5 4.5 0.0 assign (resid 136 and name he* ) (resid 160 and name hn ) 5.5 5.5 0.0 assign (resid 136 and name he* ) (resid 160 and name hb2 ) 4.5 4.5 0.0 assign (resid 139 and name hg* ) (resid 158 and name ha ) 5.5 5.5 0.0 assign (resid 139 and name hg* ) (resid 159 and name hn ) 5.5 5.5 0.0 assign (resid 142 and name hb* ) (resid 155 and name hd* ) 4.5 4.5 0.0 assign (resid 142 and name hg1 ) (resid 155 and name hd* ) 5.5 5.5 0.0 assign (resid 142 and name hg2 ) (resid 155 and name hd* ) 4.5 4.5 0.0 assign (resid 144 and name hg1*) (resid 155 and name hd* ) 5.5 5.5 0.0 assign (resid 144 and name hg1*) (resid 155 and name he* ) 3.5 3.5 0.0 !nh(i)-ha(j) assign (resid 2 and name hn ) (resid 95 and name ha ) 3.5 3.5 0.0 assign (resid 2 and name ha ) (resid 111 and name hn ) 4.5 4.5 0.0 assign (resid 2 and name ha ) (resid 112 and name hn ) 3.5 3.5 0.0 assign (resid 2 and name ha ) (resid 114 and name hn ) 5.5 5.5 0.0 assign (resid 3 and name ha ) (resid 96 and name hn ) 3.5 3.5 0.0 assign (resid 3 and name hn ) (resid 113 and name ha ) 3.5 3.5 0.0 assign (resid 4 and name ha ) (resid 114 and name hn ) 3.5 3.5 0.0 assign (resid 5 and name hn ) (resid 115 and name ha ) 3.5 3.5 0.0 assign (resid 6 and name ha ) (resid 116 and name hn ) 2.5 2.5 0.5 assign (resid 7 and name hn ) (resid 117 and name ha ) 4.5 4.5 0.0 assign (resid 8 and name hn ) (resid 13 and name ha ) 4.5 4.5 0.0 assign (resid 9 and name hn ) (resid 121 and name ha ) 4.5 4.5 0.0 assign (resid 12 and name ha ) (resid 128 and name hn ) 4.5 4.5 0.0 assign (resid 13 and name hn ) (resid 127 and name ha ) 3.5 3.5 0.0 assign (resid 14 and name hn ) (resid 124 and name ha* ) 5.5 5.5 1.0 assign (resid 14 and name hn ) (resid 127 and name ha ) 4.5 4.5 0.5 assign (resid 15 and name ha ) (resid 125 and name hn ) 3.5 3.5 0.0 assign (resid 36 and name hn ) (resid 57 and name ha ) 3.5 3.5 0.0 assign (resid 37 and name ha ) (resid 93 and name hn ) 3.5 3.5 0.0 assign (resid 38 and name hn ) (resid 94 and name ha ) 4.5 4.5 0.0 assign (resid 39 and name hn ) (resid 59 and name ha ) 3.5 3.5 1.0 assign (resid 40 and name ha ) (resid 60 and name hn ) 3.5 3.5 0.0 assign (resid 41 and name hn ) (resid 61 and name ha ) 3.5 3.5 0.0 assign (resid 41 and name ha ) (resid 98 and name hn ) 4.5 4.5 0.0 assign (resid 41 and name ha ) (resid 99 and name hn ) 5.5 5.5 0.0 assign (resid 42 and name ha* ) (resid 99 and name hn ) 3.5 3.5 1.0 assign (resid 59 and name hn ) (resid 73 and name ha ) 4.5 4.5 0.0 assign (resid 62 and name ha ) (resid 76 and name hn ) 3.5 3.5 0.5 assign (resid 39 and name ha ) (resid 95 and name hn ) 4.5 4.5 0.0 assign (resid 98 and name ha* ) (resid 103 and name hn ) 5.5 5.5 0.0 assign (resid 112 and name ha ) (resid 158 and name hn ) 5.5 5.5 0.0 assign (resid 113 and name hn ) (resid 159 and name ha ) 4.5 4.5 0.0 assign (resid 115 and name hn ) (resid 157 and name ha ) 4.5 4.5 0.0 assign (resid 116 and name ha ) (resid 154 and name hn ) 5.5 5.5 0.0 assign (resid 116 and name ha ) (resid 156 and name hn ) 3.5 3.5 0.5 assign (resid 117 and name hn ) (resid 155 and name ha ) 4.5 4.5 0.0 assign (resid 119 and name hn ) (resid 151 and name ha ) 5.5 5.5 0.0 assign (resid 119 and name hn ) (resid 153 and name ha ) 4.5 4.5 0.0 assign (resid 120 and name hn ) (resid 150 and name ha ) 3.5 3.5 0.0 assign (resid 120 and name hn ) (resid 151 and name ha ) 4.5 4.5 0.0 assign (resid 121 and name hn ) (resid 150 and name ha ) 5.5 5.5 0.0 assign (resid 139 and name hn ) (resid 158 and name ha ) 3.5 3.5 0.0 assign (resid 136 and name ha ) (resid 159 and name hn ) 5.5 5.5 0.0 assign (resid 136 and name ha ) (resid 161 and name hn ) 3.5 3.5 0.0 assign (resid 136 and name hn ) (resid 160 and name ha ) 4.5 4.5 1.0 assign (resid 137 and name hn ) (resid 158 and name ha ) 4.5 4.5 0.0 assign (resid 137 and name hn ) (resid 160 and name ha ) 4.5 4.5 0.0 assign (resid 138 and name ha ) (resid 158 and name hn ) 5.5 5.5 0.0 assign (resid 138 and name ha ) (resid 159 and name hn ) 4.5 4.5 0.0 assign (resid 138 and name hn ) (resid 158 and name ha ) 5.5 5.5 0.0 assign (resid 140 and name hn ) (resid 158 and name ha ) 5.5 5.5 0.0 assign (resid 143 and name hn ) (resid 154 and name ha ) 5.5 5.5 0.0 assign (resid 144 and name hn ) (resid 154 and name ha ) 3.5 3.5 0.0 assign (resid 145 and name ha ) (resid 153 and name hn ) 4.5 4.5 0.0 assign (resid 146 and name hn ) (resid 152 and name ha ) 4.5 4.5 0.0 !nh(i)-nh(j) assign (resid 2 and name hn ) (resid 96 and name hn ) 3.5 3.5 0.5 assign (resid 3 and name hn ) (resid 112 and name hn ) 5.5 5.5 0.0 assign (resid 3 and name hn ) (resid 114 and name hn ) 5.5 5.5 0.0 assign (resid 4 and name hn ) (resid 96 and name hn ) 5.5 5.5 0.0 assign (resid 4 and name hn ) (resid 97 and name hn ) 5.5 5.5 1.0 assign (resid 4 and name hn ) (resid 114 and name hn ) 5.5 5.5 0.0 assign (resid 5 and name hn ) (resid 116 and name hn ) 5.5 5.5 0.0 assign (resid 7 and name hn ) (resid 116 and name hn ) 4.5 4.5 0.0 assign (resid 9 and name hn ) (resid 118 and name hn ) 5.5 5.5 0.0 assign (resid 9 and name hn ) (resid 122 and name hn ) 5.5 5.5 0.0 assign (resid 12 and name ha ) (resid 127 and name hn ) 5.5 5.5 0.0 assign (resid 13 and name hn ) (resid 126 and name hn ) 5.5 5.5 1.0 assign (resid 13 and name hn ) (resid 127 and name hn ) 5.5 5.5 0.0 assign (resid 14 and name hn ) (resid 125 and name hn ) 5.5 5.5 0.0 assign (resid 14 and name hn ) (resid 126 and name hn ) 4.5 4.5 0.0 assign (resid 15 and name hn ) (resid 125 and name hn ) 5.5 5.5 0.0 assign (resid 16 and name hn ) (resid 125 and name hn ) 4.5 4.5 0.5 assign (resid 36 and name hn ) (resid 58 and name hn ) 5.5 5.5 0.0 assign (resid 38 and name hn ) (resid 95 and name hn ) 4.5 4.5 0.0 assign (resid 39 and name hn ) (resid 58 and name hn ) 4.5 4.5 0.0 assign (resid 39 and name hn ) (resid 60 and name hn ) 5.5 5.5 0.0 assign (resid 40 and name hn ) (resid 95 and name hn ) 4.5 4.5 0.0 assign (resid 41 and name hn ) (resid 62 and name hn ) 4.5 4.5 0.0 assign (resid 42 and name hn ) (resid 99 and name hn ) 3.5 3.5 0.0 assign (resid 63 and name hn ) (resid 76 and name hn ) 5.5 5.5 0.0 assign (resid 112 and name hn ) (resid 160 and name hn ) 5.5 5.5 0.5 assign (resid 113 and name hn ) (resid 158 and name hn ) 3.5 3.5 0.0 assign (resid 113 and name hn ) (resid 160 and name hn ) 5.5 5.5 0.0 assign (resid 115 and name hn ) (resid 156 and name hn ) 5.5 5.5 0.0 assign (resid 117 and name hn ) (resid 154 and name hn ) 3.5 3.5 0.0 assign (resid 119 and name hn ) (resid 152 and name hn ) 5.5 5.5 0.0 assign (resid 119 and name hn ) (resid 153 and name hn ) 5.5 5.5 0.0 assign (resid 120 and name hn ) (resid 151 and name hn ) 5.5 5.5 0.0 assign (resid 137 and name hn ) (resid 159 and name hn ) 3.5 3.5 0.0 assign (resid 137 and name hn ) (resid 161 and name hn ) 5.5 5.5 0.0 assign (resid 139 and name hn ) (resid 157 and name hn ) 5.5 5.5 0.0 assign (resid 139 and name hn ) (resid 159 and name hn ) 5.5 5.5 0.0 assign (resid 142 and name hn ) (resid 155 and name hn ) 4.5 4.5 0.0 assign (resid 144 and name hn ) (resid 153 and name hn ) 4.5 4.5 0.0 assign (resid 146 and name hn ) (resid 152 and name hn ) 5.5 5.5 0.0 !nh(i)-hb(j) assign (resid 1 and name hb ) (resid 111 and name hn ) 4.5 4.5 0.0 assign (resid 2 and name hn ) (resid 112 and name hb ) 5.5 5.5 0.5 assign (resid 3 and name hn ) (resid 112 and name hb ) 4.5 4.5 0.0 assign (resid 3 and name hb1 ) (resid 114 and name hn ) 5.5 5.5 0.0 assign (resid 3 and name hb2 ) (resid 114 and name hn ) 4.5 4.5 0.0 assign (resid 4 and name hn ) (resid 96 and name hb ) 4.5 4.5 0.5 assign (resid 5 and name hn ) (resid 114 and name hb1 ) 5.5 5.5 0.0 assign (resid 5 and name hn ) (resid 114 and name hb2 ) 4.5 4.5 0.0 assign (resid 7 and name hn ) (resid 116 and name hb ) 3.5 3.5 0.0 assign (resid 13 and name hn ) (resid 126 and name hb ) 4.5 4.5 0.0 assign (resid 15 and name hb1 ) (resid 125 and name hn ) 5.5 5.5 0.0 assign (resid 15 and name hb2 ) (resid 125 and name hn ) 4.0 4.0 0.0 assign (resid 36 and name hn ) (resid 56 and name hb1 ) 5.5 5.5 0.0 assign (resid 38 and name hn ) (resid 93 and name hb* ) 4.5 4.5 1.0 assign (resid 41 and name hb ) (resid 46 and name hn ) 4.5 4.5 0.0 assign (resid 43 and name hn ) (resid 63 and name hb ) 4.5 4.5 0.0 assign (resid 59 and name hn ) (resid 73 and name hb* ) 4.5 4.5 1.0 assign (resid 61 and name hb ) (resid 76 and name hn ) 5.5 5.5 0.0 assign (resid 111 and name hb* ) (resid 160 and name hn ) 4.5 4.5 0.0 assign (resid 113 and name hb1 ) (resid 158 and name hn ) 5.5 5.5 0.0 assign (resid 113 and name hb2 ) (resid 158 and name hn ) 5.5 5.5 0.0 assign (resid 113 and name hn ) (resid 158 and name hb1 ) 5.5 5.5 0.0 assign (resid 113 and name hn ) (resid 158 and name hb2 ) 4.5 4.5 0.0 assign (resid 117 and name hb* ) (resid 154 and name hn ) 5.5 5.5 0.0 assign (resid 119 and name hb* ) (resid 152 and name hn ) 5.5 5.5 0.0 assign (resid 119 and name hn ) (resid 153 and name hb* ) 5.5 5.5 0.0 assign (resid 121 and name hn ) (resid 150 and name hb* ) 4.5 4.5 1.0 assign (resid 136 and name hb* ) (resid 159 and name hn ) 5.5 5.5 0.0 assign (resid 137 and name hb ) (resid 159 and name hn ) 4.5 4.5 0.0 assign (resid 137 and name hn ) (resid 159 and name hb* ) 6.0 6.0 0.0 assign (resid 140 and name hn ) (resid 157 and name hb ) 4.5 4.5 0.0 assign (resid 144 and name hb ) (resid 153 and name hn ) 5.5 5.5 0.5 assign (resid 146 and name hb1 ) (resid 152 and name hn ) 5.5 5.5 0.0 assign (resid 146 and name hb2 ) (resid 152 and name hn ) 4.5 4.5 0.5 assign (resid 146 and name hn ) (resid 152 and name hb ) 5.5 5.5 0.0 !ha(i)-ha(j) assign (resid 2 and name ha ) (resid 112 and name ha ) 5.5 5.5 0.0 assign (resid 6 and name ha ) (resid 115 and name ha ) 5.5 5.5 0.0 assign (resid 7 and name ha ) (resid 13 and name ha ) 2.5 2.5 0.5 assign (resid 8 and name ha ) (resid 121 and name ha ) 5.5 5.5 0.5 assign (resid 12 and name ha ) (resid 127 and name ha ) 3.5 3.5 0.0 assign (resid 15 and name ha ) (resid 124 and name ha* ) 4.5 4.5 1.0 assign (resid 35 and name ha ) (resid 57 and name ha ) 5.5 5.5 0.0 assign (resid 64 and name ha ) (resid 77 and name ha ) 4.5 4.5 0.0 assign (resid 41 and name ha ) (resid 98 and name ha* ) 5.5 5.5 0.0 assign (resid 41 and name ha ) (resid 45 and name ha ) 10.0 4.5 0.0 assign (resid 114 and name ha ) (resid 157 and name ha ) 3.5 3.5 0.0 assign (resid 116 and name ha ) (resid 155 and name ha ) 3.5 3.5 0.0 assign (resid 118 and name ha ) (resid 153 and name ha ) 3.5 3.5 0.0 assign (resid 136 and name ha ) (resid 160 and name ha ) 3.5 3.5 0.0 assign (resid 138 and name ha ) (resid 158 and name ha ) 2.5 2.5 0.0 assign (resid 143 and name ha ) (resid 154 and name ha ) 2.5 2.5 0.0 assign (resid 145 and name ha ) (resid 152 and name ha ) 3.5 3.5 0.0 !ha(i)-hb(j) assign (resid 1 and name ha ) (resid 94 and name hb1 ) 3.5 3.5 0.0 assign (resid 1 and name ha ) (resid 94 and name hb2 ) 4.5 4.5 0.0 assign (resid 1 and name hb ) (resid 110 and name ha ) 2.5 2.5 0.5 assign (resid 2 and name hb* ) (resid 95 and name ha ) 3.5 3.5 1.0 assign (resid 2 and name ha ) (resid 112 and name hb ) 3.5 3.5 0.0 assign (resid 3 and name ha ) (resid 96 and name hb ) 3.5 3.5 0.0 assign (resid 4 and name hb1 ) (resid 97 and name ha ) 3.5 3.5 0.0 assign (resid 4 and name ha ) (resid 114 and name hb1 ) 4.5 4.5 0.0 assign (resid 4 and name ha ) (resid 114 and name hb2 ) 2.5 2.5 0.5 assign (resid 6 and name ha ) (resid 116 and name hb ) 2.5 2.5 0.0 assign (resid 38 and name hb ) (resid 94 and name ha ) 4.5 4.5 0.0 assign (resid 39 and name ha ) (resid 95 and name hb ) 3.5 3.5 0.0 assign (resid 59 and name hb1 ) (resid 73 and name ha ) 4.5 4.5 0.0 assign (resid 59 and name hb2 ) (resid 73 and name ha ) 3.5 3.5 0.0 assign (resid 61 and name hb ) (resid 75 and name ha ) 3.5 3.5 0.0 assign (resid 64 and name ha ) (resid 77 and name hb* ) 5.5 5.5 1.0 assign (resid 111 and name ha ) (resid 160 and name hb1 ) 4.5 4.5 0.0 assign (resid 111 and name ha ) (resid 160 and name hb2 ) 2.5 2.5 0.5 assign (resid 118 and name hb* ) (resid 153 and name ha ) 4.5 4.5 1.0 assign (resid 119 and name hb* ) (resid 153 and name ha ) 5.5 5.5 0.0 !other long-range noes assign (resid 1 and name hg2*) (resid 96 and name hd1*) 2.5 2.5 2.0 assign (resid 1 and name hg2*) (resid 110 and name ha ) 3.5 3.5 1.0 assign (resid 2 and name ha ) (resid 110 and name hg2*) 4.5 4.5 0.5 assign (resid 2 and name hb* ) (resid 112 and name hb ) 3.5 3.5 0.5 assign (resid 3 and name hn ) (resid 110 and name hg2*) 3.5 3.5 1.0 assign (resid 3 and name ha ) (resid 103 and name hz ) 5.5 5.5 0.0 assign (resid 3 and name ha ) (resid 96 and name hg1*) 4.5 4.5 1.0 assign (resid 3 and name ha ) (resid 96 and name hg2*) 4.5 4.5 1.0 assign (resid 3 and name hb1 ) (resid 113 and name hd2*) 4.5 4.5 1.0 assign (resid 3 and name hb2 ) (resid 113 and name hd2*) 3.5 3.5 1.0 assign (resid 3 and name hz ) (resid 106 and name hb2 ) 4.5 4.5 0.0 assign (resid 3 and name hz ) (resid 107 and name ha ) 2.5 2.5 0.5 assign (resid 3 and name hz ) (resid 107 and name hb* ) 4.5 4.5 1.0 assign (resid 3 and name hz ) (resid 108 and name hn ) 5.5 5.5 0.5 assign (resid 3 and name hz ) (resid 109 and name hn ) 5.5 5.5 0.0 assign (resid 3 and name hz ) (resid 110 and name hb ) 4.5 4.5 0.0 assign (resid 3 and name hz ) (resid 110 and name hg1*) 4.5 4.5 1.0 assign (resid 3 and name hz ) (resid 129 and name hd1*) 5.5 5.5 1.0 assign (resid 4 and name ha ) (resid 114 and name hd1*) 4.5 4.5 1.0 assign (resid 4 and name hd1*) (resid 97 and name ha ) 5.5 5.5 1.5 assign (resid 4 and name hd2*) (resid 97 and name ha ) 4.5 4.5 1.0 assign (resid 4 and name hd1*) (resid 114 and name hb* ) 2.5 2.5 2.0 assign (resid 4 and name hn ) (resid 103 and name hz ) 5.5 5.5 0.0 assign (resid 5 and name ha ) (resid 103 and name hz ) 5.5 5.5 0.0 assign (resid 5 and name hb* ) (resid 103 and name hz ) 2.5 2.5 1.0 assign (resid 5 and name hd1 ) (resid 13 and name hg2*) 2.5 2.5 1.0 assign (resid 5 and name hd1 ) (resid 115 and name hg2*) 4.5 4.5 1.0 assign (resid 5 and name he1 ) (resid 13 and name hg2*) 4.5 4.5 1.0 assign (resid 5 and name he1 ) (resid 115 and name hb ) 5.5 5.5 0.0 assign (resid 5 and name he1 ) (resid 115 and name hg2*) 3.5 3.5 1.0 assign (resid 5 and name he1 ) (resid 128 and name he* ) 5.5 5.5 1.5 assign (resid 5 and name he1 ) (resid 128 and name hg* ) 5.5 5.5 0.0 assign (resid 5 and name he1 ) (resid 133 and name hh2 ) 5.5 5.5 0.0 assign (resid 5 and name he3 ) (resid 114 and name hn ) 4.5 4.5 0.0 assign (resid 5 and name he3 ) (resid 128 and name he* ) 5.5 5.5 0.0 assign (resid 5 and name hz2 ) (resid 113 and name hd1*) 5.5 5.5 1.0 assign (resid 5 and name hz2 ) (resid 113 and name hd2*) 5.5 5.5 0.5 assign (resid 5 and name hz2 ) (resid 115 and name hb ) 3.5 3.5 0.0 assign (resid 5 and name hz2 ) (resid 115 and name hg2*) 4.5 4.5 1.0 assign (resid 5 and name hz2 ) (resid 128 and name he* ) 5.5 5.5 0.5 assign (resid 5 and name hz2 ) (resid 131 and name hd1*) 3.5 3.5 1.0 assign (resid 5 and name hz2 ) (resid 133 and name hz2 ) 3.5 3.5 0.0 assign (resid 5 and name hz3 ) (resid 113 and name ha ) 3.5 3.5 0.0 assign (resid 5 and name hz3 ) (resid 113 and name hb1 ) 3.5 3.5 0.5 assign (resid 5 and name hz3 ) (resid 113 and name hb2 ) 5.5 5.5 0.0 assign (resid 5 and name hz3 ) (resid 113 and name hd1*) 5.5 5.5 1.0 assign (resid 5 and name hz3 ) (resid 113 and name hd2*) 2.5 2.5 1.0 assign (resid 5 and name hz3 ) (resid 114 and name hn ) 3.5 3.5 1.0 assign (resid 5 and name hz3 ) (resid 128 and name he* ) 5.5 5.5 1.0 assign (resid 5 and name hh2 ) (resid 113 and name hb1 ) 2.5 2.5 0.0 assign (resid 5 and name hh2 ) (resid 113 and name hb2 ) 4.5 4.5 0.0 assign (resid 5 and name hh2 ) (resid 113 and name hd2*) 3.5 3.5 1.0 assign (resid 5 and name hh2 ) (resid 115 and name hb ) 4.5 4.5 0.0 assign (resid 5 and name hh2 ) (resid 115 and name hg2*) 4.5 4.5 1.0 assign (resid 5 and name hh2 ) (resid 131 and name hd1*) 2.5 2.5 1.0 assign (resid 6 and name ha ) (resid 115 and name hg2*) 5.5 5.5 1.0 assign (resid 6 and name ha ) (resid 116 and name hg2*) 4.5 4.5 1.0 assign (resid 6 and name ha ) (resid 118 and name hd1*) 6.5 6.5 0.0 assign (resid 6 and name hb* ) (resid 21 and name hz2 ) 2.5 2.5 1.0 assign (resid 6 and name hb* ) (resid 116 and name hb ) 5.5 5.5 0.0 assign (resid 6 and name hb* ) (resid 116 and name hg2*) 5.5 5.5 1.0 assign (resid 6 and name hb* ) (resid 118 and name hd1*) 3.5 3.5 2.5 assign (resid 7 and name hn ) (resid 21 and name hh2 ) 5.5 5.5 0.0 assign (resid 7 and name hn ) (resid 21 and name hz2 ) 4.5 4.5 0.0 assign (resid 7 and name hn ) (resid 118 and name hd1*) 4.5 4.5 1.0 assign (resid 7 and name hn ) (resid 115 and name hg2*) 5.5 5.5 0.0 assign (resid 7 and name hn ) (resid 116 and name hg2*) 6.5 6.5 0.0 assign (resid 7 and name ha ) (resid 13 and name hg2*) 3.5 3.5 1.0 assign (resid 7 and name ha ) (resid 21 and name hz2 ) 4.5 4.5 0.0 assign (resid 7 and name ha ) (resid 21 and name hh2 ) 3.5 3.5 0.0 assign (resid 7 and name ha ) (resid 21 and name hz3 ) 5.5 5.5 0.0 assign (resid 7 and name hg* ) (resid 117 and name ha ) 3.5 3.5 1.0 assign (resid 7 and name he2*) (resid 117 and name hg* ) 3.5 3.5 2.0 assign (resid 8 and name hn ) (resid 21 and name hz2 ) 5.5 5.5 1.0 assign (resid 8 and name hn ) (resid 21 and name hz3 ) 4.5 4.5 0.0 assign (resid 8 and name hn ) (resid 21 and name hh2 ) 4.5 4.5 0.0 assign (resid 8 and name ha ) (resid 118 and name hb2 ) 3.5 3.5 0.0 assign (resid 8 and name ha ) (resid 118 and name hd1*) 5.5 5.5 0.0 assign (resid 8 and name ha ) (resid 118 and name hd2*) 5.5 5.5 0.0 assign (resid 8 and name hb1 ) (resid 21 and name hz3 ) 3.5 3.5 0.0 assign (resid 8 and name hb2 ) (resid 21 and name hz3 ) 5.5 5.5 0.0 assign (resid 9 and name hg* ) (resid 121 and name hn ) 5.5 5.5 0.0 assign (resid 9 and name hg* ) (resid 121 and name ha ) 3.5 3.5 1.0 assign (resid 12 and name hn ) (resid 127 and name hg* ) 6.5 6.5 0.0 assign (resid 12 and name hb* ) (resid 21 and name hz3 ) 4.5 4.5 1.0 assign (resid 12 and name hg ) (resid 126 and name hn ) 4.5 4.5 0.0 assign (resid 12 and name hd1*) (resid 124 and name hn ) 4.5 4.5 1.0 assign (resid 12 and name hd1*) (resid 125 and name hn ) 4.5 4.5 1.0 assign (resid 12 and name hd1*) (resid 126 and name hn ) 4.5 4.5 1.0 assign (resid 12 and name hd2*) (resid 21 and name hz3 ) 3.5 3.5 1.0 assign (resid 12 and name hd2*) (resid 21 and name he3 ) 5.5 5.5 0.0 assign (resid 12 and name hd2*) (resid 122 and name hb* ) 2.5 2.5 2.0 assign (resid 12 and name hd2*) (resid 124 and name hn ) 4.5 4.5 1.0 assign (resid 12 and name hd2*) (resid 126 and name hn ) 6.5 6.5 0.0 assign (resid 13 and name ha ) (resid 21 and name hh2 ) 3.5 3.5 0.5 assign (resid 13 and name ha ) (resid 21 and name he3 ) 5.5 5.5 1.5 assign (resid 13 and name ha ) (resid 21 and name hz2 ) 5.5 5.5 0.5 assign (resid 13 and name ha ) (resid 21 and name hz3 ) 5.5 5.5 0.0 assign (resid 13 and name hg1*) (resid 128 and name hn ) 5.5 5.5 0.0 assign (resid 13 and name hg2*) (resid 21 and name hz3 ) 5.5 5.5 1.5 assign (resid 13 and name hg2*) (resid 128 and name hb2 ) 3.5 3.5 1.0 assign (resid 13 and name hd1*) (resid 100 and name hn ) 4.5 4.5 1.0 assign (resid 13 and name hd1*) (resid 126 and name hg2*) 2.5 2.5 2.0 assign (resid 14 and name hn ) (resid 20 and name hd* ) 5.5 5.5 0.0 assign (resid 14 and name hn ) (resid 126 and name hg2*) 5.5 5.5 1.0 assign (resid 15 and name hn ) (resid 20 and name hd* ) 5.5 5.5 0.0 assign (resid 15 and name hg* ) (resid 125 and name hn ) 4.5 4.5 1.0 assign (resid 20 and name hb* ) (resid 122 and name hb* ) 4.5 4.5 1.0 assign (resid 21 and name hb2 ) (resid 151 and name hd2*) 3.5 3.5 1.0 assign (resid 21 and name hd1 ) (resid 26 and name hb1 ) 6.5 6.5 0.0 assign (resid 21 and name hd1 ) (resid 118 and name hd2*) 4.5 4.5 0.0 assign (resid 21 and name hd1 ) (resid 151 and name hd2*) 4.5 4.5 1.0 assign (resid 21 and name he1 ) (resid 118 and name hd1*) 5.5 5.5 1.0 assign (resid 21 and name he1 ) (resid 118 and name hd2*) 5.5 5.5 1.0 assign (resid 21 and name he3 ) (resid 118 and name hd2*) 5.5 5.5 1.0 assign (resid 21 and name he3 ) (resid 122 and name hb1 ) 5.5 5.5 0.0 assign (resid 21 and name he3 ) (resid 122 and name hb2 ) 5.5 5.5 0.0 assign (resid 21 and name hz2 ) (resid 118 and name hd1*) 4.5 4.5 1.0 assign (resid 21 and name hz2 ) (resid 118 and name hd2*) 6.0 6.0 1.0 assign (resid 21 and name hz3 ) (resid 122 and name hb2 ) 5.5 5.5 0.0 assign (resid 22 and name hd2 ) (resid 27 and name hd1*) 5.5 5.5 1.0 assign (resid 22 and name he1 ) (resid 27 and name hd1*) 3.5 3.5 1.0 assign (resid 22 and name he1 ) (resid 27 and name hd2*) 5.5 5.5 1.0 assign (resid 23 and name hg ) (resid 153 and name hd2 ) 5.5 5.5 0.5 assign (resid 23 and name hd1*) (resid 153 and name he1 ) 3.5 3.5 1.0 assign (resid 23 and name hd1*) (resid 153 and name hd2 ) 5.5 5.5 1.0 assign (resid 23 and name hd1*) (resid 118 and name hd1*) 5.5 5.5 0.5 assign (resid 23 and name hd2*) (resid 116 and name hg2*) 4.5 4.5 1.0 assign (resid 23 and name hd2*) (resid 118 and name hd1*) 3.5 3.5 1.0 assign (resid 23 and name hd2*) (resid 118 and name hd2*) 3.5 3.5 1.0 assign (resid 23 and name hd2*) (resid 151 and name hd2*) 4.5 4.5 1.5 assign (resid 23 and name hd2*) (resid 153 and name he1 ) 4.5 4.5 1.0 assign (resid 23 and name hd2*) (resid 153 and name hd2 ) 5.5 5.5 1.0 assign (resid 25 and name hb1 ) (resid 153 and name he1 ) 5.5 2.0 1.0 assign (resid 25 and name hb2 ) (resid 153 and name he1 ) 4.5 4.5 1.0 assign (resid 26 and name hb1 ) (resid 116 and name hg2*) 5.5 5.5 1.0 assign (resid 26 and name hb2 ) (resid 116 and name hg2*) 3.5 3.5 1.0 assign (resid 26 and name hb2 ) (resid 153 and name he1 ) 4.5 4.5 1.0 assign (resid 30 and name hz ) (resid 41 and name hg1*) 4.5 4.5 0.5 assign (resid 30 and name hz ) (resid 54 and name hd1*) 5.5 5.5 1.0 assign (resid 30 and name hz ) (resid 97 and name hb* ) 4.5 4.5 1.0 assign (resid 35 and name ha ) (resid 57 and name he ) 5.5 5.5 0.0 assign (resid 35 and name ha ) (resid 57 and name hd* ) 5.5 5.5 1.0 assign (resid 37 and name ha ) (resid 92 and name he2*) 4.5 4.5 1.0 assign (resid 38 and name hg1*) (resid 92 and name hn ) 5.5 5.5 1.0 assign (resid 38 and name hg1*) (resid 92 and name he2*) 4.5 4.5 2.0 assign (resid 38 and name hd1*) (resid 92 and name he2*) 5.5 5.5 2.0 assign (resid 38 and name hd1*) (resid 86 and name ha ) 2.5 2.5 1.0 assign (resid 38 and name hd1*) (resid 89 and name hb2 ) 3.5 3.5 1.0 assign (resid 39 and name hb* ) (resid 54 and name hd1*) 4.5 4.5 1.0 assign (resid 39 and name he* ) (resid 54 and name hg ) 3.5 3.5 1.0 assign (resid 39 and name he* ) (resid 54 and name hd1*) 2.5 2.5 1.0 assign (resid 39 and name he* ) (resid 59 and name ha ) 2.5 2.5 1.0 assign (resid 39 and name he* ) (resid 59 and name hb* ) 3.5 3.5 2.0 assign (resid 39 and name he* ) (resid 59 and name hd2*) 3.5 3.5 1.0 assign (resid 39 and name hb* ) (resid 59 and name ha ) 5.5 5.5 1.0 assign (resid 39 and name he* ) (resid 54 and name hn ) 5.5 5.5 0.0 assign (resid 40 and name ha ) (resid 60 and name hg2*) 5.5 5.5 1.0 assign (resid 40 and name hg2*) (resid 96 and name hd1*) 2.5 2.5 2.0 assign (resid 40 and name hb ) (resid 96 and name hd1*) 2.5 2.5 1.0 assign (resid 41 and name hn ) (resid 61 and name hg1*) 5.5 5.5 0.5 assign (resid 41 and name hn ) (resid 61 and name hg2*) 5.5 5.5 0.0 assign (resid 41 and name ha ) (resid 97 and name hb* ) 5.5 5.5 1.0 assign (resid 41 and name ha ) (resid 102 and name hg2*) 3.5 3.5 1.0 assign (resid 41 and name hb ) (resid 99 and name hn ) 5.5 5.5 0.5 assign (resid 41 and name hg1*) (resid 49 and name hz ) 4.5 4.5 1.0 assign (resid 41 and name hg2*) (resid 49 and name hz ) 3.5 3.5 1.0 assign (resid 41 and name hg2*) (resid 61 and name ha ) 3.5 3.5 1.0 assign (resid 41 and name hg2*) (resid 61 and name hg1*) 4.5 4.5 2.0 assign (resid 41 and name hg2*) (resid 61 and name hg2*) 2.5 2.5 2.0 assign (resid 41 and name hg1*) (resid 97 and name hn ) 4.5 4.5 1.0 assign (resid 41 and name hg1*) (resid 98 and name hn ) 5.5 5.5 1.0 assign (resid 43 and name ha ) (resid 61 and name hg1*) 2.5 2.5 1.0 assign (resid 43 and name ha ) (resid 61 and name hg2*) 4.5 4.5 1.0 assign (resid 45 and name hg2*) (resid 99 and name hn ) 5.5 5.5 1.0 assign (resid 46 and name hn ) (resid 61 and name hg1*) 5.5 5.5 1.0 assign (resid 46 and name hn ) (resid 61 and name hg2*) 5.5 5.5 1.0 assign (resid 46 and name ha ) (resid 61 and name hg1*) 5.5 5.5 1.0 assign (resid 46 and name ha ) (resid 61 and name hg2*) 5.5 5.5 1.0 assign (resid 47 and name ha ) (resid 52 and name he ) 3.5 3.5 0.0 assign (resid 47 and name ha ) (resid 52 and name hd* ) 3.5 3.5 1.0 assign (resid 49 and name hz ) (resid 54 and name hd1*) 4.5 4.5 1.0 assign (resid 54 and name hb* ) (resid 59 and name hd2*) 3.5 3.5 2.0 assign (resid 58 and name hb ) (resid 92 and name he2*) 5.5 5.5 1.0 assign (resid 59 and name hb2 ) (resid 73 and name hb* ) 3.5 3.5 1.0 assign (resid 60 and name hg1*) (resid 74 and name ha ) 5.5 5.5 1.0 assign (resid 60 and name hg2*) (resid 74 and name ha ) 5.5 5.5 1.0 assign (resid 60 and name hg1*) (resid 74 and name hb ) 4.5 4.5 1.0 assign (resid 60 and name hg2*) (resid 74 and name hb ) 3.5 3.5 1.0 assign (resid 61 and name hb ) (resid 70 and name hb* ) 5.5 5.5 1.0 assign (resid 61 and name hg2*) (resid 70 and name hb* ) 3.5 3.5 1.0 assign (resid 61 and name hg1*) (resid 75 and name hg1*) 5.5 5.5 1.0 assign (resid 61 and name hg2*) (resid 75 and name hg2*) 4.5 4.5 1.0 assign (resid 61 and name hg2*) (resid 73 and name ha ) 5.5 5.5 1.0 assign (resid 61 and name hg2*) (resid 73 and name hb* ) 2.5 2.5 2.0 assign (resid 62 and name ha ) (resid 76 and name hg2*) 3.5 3.5 1.0 assign (resid 62 and name hd1*) (resid 77 and name ha ) 3.5 3.5 1.0 assign (resid 62 and name hd1*) (resid 77 and name hn ) 4.5 4.5 1.0 assign (resid 62 and name hd1*) (resid 78 and name hn ) 4.5 4.5 1.0 assign (resid 62 and name hd1*) (resid 78 and name ha ) 3.5 3.5 1.0 assign (resid 62 and name hd1*) (resid 79 and name ha ) 4.5 4.5 1.0 assign (resid 63 and name hg2*) (resid 68 and name hb* ) 4.5 4.5 2.0 assign (resid 63 and name hg2*) (resid 77 and name ha ) 5.5 5.5 1.0 assign (resid 63 and name hg2*) (resid 77 and name he1 ) 3.5 3.5 1.0 assign (resid 66 and name ha ) (resid 77 and name he1 ) 4.5 4.5 0.0 assign (resid 66 and name hg* ) (resid 77 and name he1 ) 4.5 4.5 1.0 assign (resid 68 and name hb1 ) (resid 77 and name he1 ) 4.5 4.5 0.5 assign (resid 68 and name hb2 ) (resid 77 and name he1 ) 5.5 5.5 0.5 assign (resid 79 and name ha ) (resid 106 and name hz ) 3.5 3.5 0.0 assign (resid 82 and name hn ) (resid 106 and name hz ) 5.5 5.5 0.0 assign (resid 82 and name hg2*) (resid 106 and name hz ) 2.5 2.5 1.0 assign (resid 96 and name hg2*) (resid 106 and name hn ) 6.0 6.0 0.0 assign (resid 96 and name hd1*) (resid 102 and name hb ) 5.5 5.5 0.5 assign (resid 96 and name hd1*) (resid 106 and name hb* ) 4.5 4.5 2.0 assign (resid 96 and name hd1*) (resid 106 and name hz ) 5.5 5.5 1.0 assign (resid 100 and name hn ) (resid 126 and name hg2*) 5.5 5.5 0.0 assign (resid 100 and name hb* ) (resid 126 and name hg2*) 2.5 2.5 2.0 assign (resid 100 and name hb* ) (resid 129 and name hg2*) 3.5 3.5 2.0 assign (resid 103 and name ha ) (resid 128 and name he* ) 5.5 5.5 0.5 assign (resid 103 and name hb1 ) (resid 128 and name he* ) 3.5 3.5 1.0 assign (resid 103 and name hb2 ) (resid 128 and name he* ) 4.5 4.5 1.0 assign (resid 103 and name hb* ) (resid 129 and name hd1*) 5.5 5.5 1.0 assign (resid 104 and name hn ) (resid 129 and name hg2*) 4.5 4.5 1.0 assign (resid 104 and name hn ) (resid 129 and name hd1*) 4.5 4.5 1.0 assign (resid 107 and name hn ) (resid 129 and name hd1*) 5.5 5.5 1.0 assign (resid 110 and name hg1*) (resid 136 and name hz ) 2.5 2.5 1.0 assign (resid 111 and name ha ) (resid 160 and name hd* ) 4.5 4.5 1.0 assign (resid 111 and name hb1 ) (resid 160 and name hn ) 5.5 5.5 0.0 assign (resid 111 and name hb2 ) (resid 160 and name hn ) 5.5 5.5 0.0 assign (resid 112 and name hg2*) (resid 159 and name ha ) 4.5 4.5 1.0 assign (resid 113 and name hb1 ) (resid 158 and name hd1 ) 5.5 5.5 0.0 assign (resid 113 and name hb2 ) (resid 158 and name hd1 ) 3.5 3.5 0.5 assign (resid 113 and name hg ) (resid 159 and name ha ) 5.5 5.5 0.0 assign (resid 113 and name hd1*) (resid 131 and name hd2*) 5.6 5.6 1.0 assign (resid 113 and name hd1*) (resid 131 and name hd1*) 5.6 5.6 1.0 assign (resid 113 and name hd1*) (resid 133 and name he3 ) 4.5 4.5 1.0 assign (resid 113 and name hd1*) (resid 133 and name hz2 ) 5.5 5.5 1.0 assign (resid 113 and name hd1*) (resid 133 and name hz3 ) 3.5 3.5 1.0 assign (resid 113 and name hd1*) (resid 133 and name hh2 ) 4.5 4.5 0.5 assign (resid 113 and name hd1*) (resid 158 and name hb1 ) 5.5 5.5 0.0 assign (resid 113 and name hd1*) (resid 158 and name hb2 ) 3.5 3.5 0.5 assign (resid 113 and name hd1*) (resid 158 and name he3 ) 4.5 4.5 1.5 assign (resid 113 and name hd2*) (resid 131 and name hd2*) 3.5 3.5 1.0 assign (resid 114 and name hd2*) (resid 157 and name ha ) 3.5 3.5 1.0 assign (resid 114 and name hd2*) (resid 157 and name hb ) 4.5 4.5 1.0 assign (resid 114 and name hd2*) (resid 158 and name hn ) 4.5 4.5 0.5 assign (resid 115 and name hg1*) (resid 158 and name hd1 ) 3.5 3.5 1.0 assign (resid 115 and name hg1*) (resid 133 and name hh2 ) 3.5 3.5 1.0 assign (resid 115 and name hg2*) (resid 133 and name hh2 ) 3.5 3.5 1.0 assign (resid 116 and name hg2*) (resid 153 and name ha ) 4.5 4.5 1.0 assign (resid 116 and name hg2*) (resid 154 and name hn ) 4.5 4.5 1.0 assign (resid 116 and name hg2*) (resid 153 and name hb2 ) 3.5 3.5 1.0 assign (resid 116 and name hg2*) (resid 153 and name hd2 ) 2.5 2.5 1.0 assign (resid 117 and name hn ) (resid 153 and name hd2 ) 5.5 5.5 1.0 assign (resid 118 and name hg ) (resid 153 and name ha ) 4.5 4.5 0.0 assign (resid 118 and name hd1*) (resid 153 and name ha ) 5.5 5.5 0.0 assign (resid 118 and name hd1*) (resid 153 and name hb1 ) 3.5 3.5 1.0 assign (resid 118 and name hd1*) (resid 153 and name hb2 ) 3.5 3.5 1.0 assign (resid 118 and name hd1*) (resid 153 and name hd2 ) 5.5 5.5 1.0 assign (resid 118 and name hd1*) (resid 151 and name ha ) 5.5 5.5 1.0 assign (resid 118 and name hd2*) (resid 151 and name ha ) 3.5 3.5 1.0 assign (resid 118 and name hd2*) (resid 151 and name hd2*) 4.5 4.5 1.0 assign (resid 122 and name hz ) (resid 150 and name hb* ) 2.5 2.5 1.5 assign (resid 122 and name hz ) (resid 151 and name hg ) 5.5 5.5 0.0 assign (resid 122 and name hz ) (resid 151 and name hd2*) 3.5 3.5 1.5 assign (resid 133 and name he3 ) (resid 158 and name he3 ) 5.5 5.5 0.0 assign (resid 133 and name he3 ) (resid 158 and name hz3 ) 4.5 4.5 0.0 assign (resid 133 and name hz3 ) (resid 158 and name hd1 ) 4.5 4.5 0.0 assign (resid 133 and name hz3 ) (resid 158 and name he1 ) 5.5 5.5 0.0 assign (resid 136 and name ha ) (resid 158 and name he3 ) 5.5 5.5 2.0 assign (resid 136 and name hn ) (resid 158 and name he3 ) 3.5 3.5 2.0 assign (resid 136 and name hb1 ) (resid 158 and name he3 ) 2.5 2.5 0.0 assign (resid 136 and name hb2 ) (resid 158 and name he3 ) 3.5 3.5 0.0 assign (resid 136 and name hb1 ) (resid 158 and name hz3 ) 5.5 5.5 0.0 assign (resid 136 and name hb2 ) (resid 158 and name hz3 ) 4.5 4.5 0.0 assign (resid 137 and name hn ) (resid 158 and name he3 ) 3.5 3.5 0.0 assign (resid 137 and name ha ) (resid 158 and name he3 ) 5.5 5.5 0.0 assign (resid 137 and name ha ) (resid 158 and name hz3 ) 4.5 4.5 0.0 assign (resid 137 and name hg2*) (resid 159 and name hn ) 5.5 5.5 1.0 assign (resid 138 and name hn ) (resid 158 and name he3 ) 4.5 4.5 0.0 assign (resid 138 and name ha ) (resid 158 and name hd1 ) 5.5 5.5 0.0 assign (resid 138 and name ha ) (resid 158 and name he3 ) 5.5 5.5 0.0 assign (resid 138 and name hb* ) (resid 158 and name hz3 ) 5.5 5.5 1.0 assign (resid 138 and name hg1 ) (resid 158 and name he1 ) 5.5 5.5 0.0 assign (resid 138 and name hd* ) (resid 158 and name he1 ) 4.5 4.5 1.0 assign (resid 138 and name he* ) (resid 158 and name hh2 ) 5.5 5.5 0.0 assign (resid 138 and name he* ) (resid 158 and name hz2 ) 4.5 4.5 1.0 assign (resid 142 and name hn ) (resid 154 and name hg2*) 3.5 3.5 1.0 assign (resid 143 and name hn ) (resid 154 and name hg2*) 5.5 5.5 0.0 assign (resid 143 and name ha ) (resid 154 and name hg2*) 4.5 4.5 1.0 assign (resid 144 and name hg1*) (resid 153 and name hd2 ) 3.5 3.5 1.0 assign (resid 143 and name hg2*) (resid 154 and name hg2*) 2.5 2.5 2.0 assign (resid 144 and name hg2*) (resid 153 and name he1 ) 3.5 3.5 1.0 assign (resid 144 and name hg2*) (resid 153 and name hd2 ) 5.5 5.5 1.0 assign (resid 145 and name ha ) (resid 152 and name hg1 ) 4.5 4.5 1.0 assign (resid 145 and name ha ) (resid 152 and name hg2*) 3.5 3.5 1.0 assign (resid 145 and name hg* ) (resid 152 and name hg1 ) 5.5 5.5 1.0 assign (resid 146 and name hb* ) (resid 151 and name hd1*) 4.5 4.5 2.0 assign (resid 146 and name hn ) (resid 152 and name hg2*) 5.5 5.5 1.0 !medium-range noes !r-6 averaging for aromatics and some others assign (resid 1 and name hg2*) (resid 3 and name he* ) 4.5 4.5 1.0 assign (resid 19 and name hd* ) (resid 21 and name hn ) 5.5 5.5 1.0 assign (resid 19 and name hd* ) (resid 21 and name hd1 ) 5.5 5.5 1.0 assign (resid 19 and name hd* ) (resid 21 and name he1 ) 4.5 4.5 1.0 assign (resid 19 and name hd* ) (resid 21 and name hz2 ) 5.5 5.5 1.0 assign (resid 26 and name ha ) (resid 29 and name hd* ) 5.5 5.5 0.0 assign (resid 27 and name ha ) (resid 30 and name hd* ) 5.5 5.5 0.0 assign (resid 29 and name hd* ) (resid 32 and name hb* ) 4.5 4.5 1.0 assign (resid 29 and name hd* ) (resid 33 and name hn ) 5.5 5.5 0.0 assign (resid 29 and name hd* ) (resid 33 and name hb2 ) 5.5 5.5 0.0 assign (resid 29 and name hd* ) (resid 33 and name hg* ) 5.5 5.5 0.0 assign (resid 29 and name he* ) (resid 33 and name hb2 ) 4.5 4.5 1.0 assign (resid 29 and name he* ) (resid 33 and name hg* ) 4.5 4.5 0.0 assign (resid 30 and name hd* ) (resid 34 and name hg2*) 5.5 5.5 0.0 assign (resid 30 and name he* ) (resid 34 and name hg2*) 4.5 4.5 0.0 assign (resid 32 and name ha ) (resid 35 and name hg* ) 3.5 3.5 0.0 assign (resid 43 and name ha ) (resid 46 and name hd* ) 4.5 4.5 0.0 assign (resid 46 and name ha ) (resid 49 and name hd* ) 3.5 3.5 0.0 assign (resid 46 and name ha ) (resid 49 and name he* ) 4.5 4.5 0.0 assign (resid 46 and name hd* ) (resid 49 and name hd* ) 4.5 4.5 0.0 assign (resid 46 and name hd* ) (resid 49 and name he* ) 4.5 4.5 0.0 assign (resid 68 and name hd* ) (resid 70 and name hb* ) 3.5 3.5 0.5 assign (resid 68 and name he* ) (resid 70 and name ha ) 5.5 5.5 0.0 assign (resid 68 and name he* ) (resid 70 and name hb* ) 3.5 3.5 0.0 assign (resid 75 and name hg* ) (resid 77 and name he1 ) 4.5 4.5 0.0 assign (resid 80 and name ha ) (resid 83 and name hd* ) 3.5 3.5 0.0 assign (resid 80 and name hn ) (resid 83 and name hd* ) 5.5 5.5 0.0 assign (resid 94 and name hb* ) (resid 96 and name hd1*) 5.5 5.5 0.5 assign (resid 94 and name hd* ) (resid 96 and name hd1*) 3.5 3.5 0.5 assign (resid 100 and name hn ) (resid 103 and name hd* ) 5.5 5.5 0.0 assign (resid 100 and name ha ) (resid 103 and name he* ) 5.5 5.5 0.0 assign (resid 100 and name hb* ) (resid 103 and name hd* ) 5.5 5.5 0.0 assign (resid 106 and name hd* ) (resid 109 and name hb1 ) 5.5 5.5 0.0 assign (resid 106 and name hd* ) (resid 109 and name hb2 ) 4.5 4.5 0.0 assign (resid 107 and name ha ) (resid 110 and name hg* ) 3.5 3.5 0.5 assign (resid 110 and name hg* ) (resid 112 and name hn ) 4.5 4.5 0.0 assign (resid 110 and name hg* ) (resid 113 and name hd2*) 3.5 3.5 0.0 assign (resid 113 and name hb* ) (resid 115 and name hg* ) 5.5 5.5 0.5 assign (resid 118 and name hb1 ) (resid 122 and name he* ) 4.5 4.5 0.0 assign (resid 118 and name hd1*) (resid 122 and name he* ) 5.5 5.5 1.0 assign (resid 118 and name hd2*) (resid 122 and name hd* ) 4.5 4.5 0.5 assign (resid 118 and name hd2*) (resid 122 and name he* ) 3.5 3.5 0.0 assign (resid 120 and name ha* ) (resid 122 and name he* ) 5.5 5.5 0.0 assign (resid 120 and name hn ) (resid 122 and name he* ) 4.5 4.5 0.0 assign (resid 133 and name ha ) (resid 136 and name he* ) 4.5 4.5 1.0 assign (resid 134 and name hn ) (resid 136 and name hd* ) 4.5 4.5 1.0 assign (resid 153 and name hd2 ) (resid 155 and name hd* ) 4.5 4.5 0.0 assign (resid 153 and name hd2 ) (resid 155 and name he* ) 3.5 3.5 0.0 !hn(i)-hn(i+2) assign (resid 9 and name hn ) (resid 11 and name hn ) 4.5 4.5 0.0 assign (resid 15 and name hn ) (resid 17 and name hn ) 4.5 4.5 0.0 assign (resid 16 and name hn ) (resid 18 and name hn ) 5.5 5.5 0.0 assign (resid 26 and name hn ) (resid 28 and name hn ) 5.5 5.5 0.0 assign (resid 27 and name hn ) (resid 29 and name hn ) 5.5 5.5 0.0 assign (resid 28 and name hn ) (resid 30 and name hn ) 4.5 4.5 0.0 assign (resid 30 and name hn ) (resid 32 and name hn ) 5.5 5.5 0.0 assign (resid 31 and name hn ) (resid 33 and name hn ) 4.5 4.5 0.0 assign (resid 32 and name hn ) (resid 34 and name hn ) 4.5 4.5 0.0 assign (resid 33 and name hn ) (resid 35 and name hn ) 4.5 4.5 0.0 assign (resid 44 and name hn ) (resid 46 and name hn ) 4.5 4.5 0.0 assign (resid 46 and name hn ) (resid 48 and name hn ) 5.5 5.5 0.0 assign (resid 47 and name hn ) (resid 49 and name hn ) 5.5 5.5 0.0 assign (resid 80 and name hn ) (resid 82 and name hn ) 4.5 4.5 0.0 assign (resid 82 and name hn ) (resid 84 and name hn ) 4.5 4.5 0.0 assign (resid 84 and name hn ) (resid 86 and name hn ) 4.5 4.5 0.5 assign (resid 85 and name hn ) (resid 87 and name hn ) 4.5 4.5 0.0 assign (resid 86 and name hn ) (resid 88 and name hn ) 5.5 5.5 0.0 assign (resid 87 and name hn ) (resid 89 and name hn ) 4.5 4.5 0.0 assign (resid 102 and name hn ) (resid 104 and name hn ) 4.5 4.5 0.0 assign (resid 103 and name hn ) (resid 105 and name hn ) 4.5 4.5 0.0 assign (resid 105 and name hn ) (resid 107 and name hn ) 4.5 4.5 0.0 assign (resid 107 and name hn ) (resid 109 and name hn ) 4.5 4.5 0.0 assign (resid 108 and name hn ) (resid 110 and name hn ) 5.5 5.5 0.0 assign (resid 133 and name hn ) (resid 135 and name hn ) 5.5 5.5 0.0 !ha(i)-hn(i+2) assign (resid 19 and name ha ) (resid 21 and name hn ) 5.5 5.5 1.0 assign (resid 24 and name ha ) (resid 26 and name hn ) 4.5 4.5 1.0 assign (resid 45 and name ha ) (resid 47 and name hn ) 4.5 4.5 1.0 assign (resid 46 and name ha ) (resid 48 and name hn ) 4.5 4.5 0.0 assign (resid 47 and name ha ) (resid 49 and name hn ) 4.5 4.5 1.0 assign (resid 52 and name ha ) (resid 54 and name hn ) 4.5 4.5 0.0 assign (resid 55 and name ha ) (resid 57 and name hn ) 3.5 3.5 1.0 assign (resid 65 and name ha ) (resid 67 and name hn ) 4.5 4.5 1.0 assign (resid 66 and name ha ) (resid 68 and name hn ) 4.5 4.5 0.0 assign (resid 71 and name ha ) (resid 73 and name hn ) 4.5 4.5 0.0 assign (resid 76 and name ha ) (resid 78 and name hn ) 3.5 3.5 1.0 assign (resid 79 and name ha ) (resid 81 and name hn ) 4.5 4.5 1.0 assign (resid 84 and name ha ) (resid 86 and name hn ) 4.5 4.5 1.0 assign (resid 86 and name ha ) (resid 88 and name hn ) 4.5 4.5 1.0 assign (resid 89 and name ha ) (resid 91 and name hn ) 3.5 3.5 1.0 assign (resid 102 and name ha ) (resid 104 and name hn ) 4.5 4.5 1.0 assign (resid 104 and name ha ) (resid 106 and name hn ) 5.5 5.5 1.0 assign (resid 106 and name ha ) (resid 108 and name hn ) 4.5 4.5 1.0 assign (resid 107 and name ha ) (resid 109 and name hn ) 4.5 4.5 1.0 assign (resid 108 and name ha ) (resid 110 and name hn ) 5.5 5.5 1.0 assign (resid 118 and name ha ) (resid 120 and name hn ) 4.5 4.5 1.0 assign (resid 132 and name ha ) (resid 134 and name hn ) 3.5 3.5 1.0 assign (resid 133 and name ha ) (resid 135 and name hn ) 3.5 3.5 1.0 assign (resid 134 and name ha ) (resid 136 and name hn ) 5.5 5.5 0.0 assign (resid 146 and name ha ) (resid 148 and name hn ) 5.5 5.5 0.0 assign (resid 148 and name ha ) (resid 150 and name hn ) 4.5 4.5 1.0 !hn(i)-hn(i+3) assign (resid 8 and name hn ) (resid 11 and name hn ) 4.5 4.5 1.0 assign (resid 8 and name hn ) (resid 12 and name hn ) 3.5 3.5 1.0 assign (resid 15 and name hn ) (resid 18 and name hn ) 4.5 4.5 0.0 assign (resid 26 and name hn ) (resid 29 and name hn ) 5.5 5.5 0.0 assign (resid 27 and name hn ) (resid 30 and name hn ) 5.5 5.5 0.0 assign (resid 28 and name hn ) (resid 31 and name hn ) 5.5 5.5 0.0 assign (resid 30 and name hn ) (resid 33 and name hn ) 5.5 5.5 0.0 assign (resid 32 and name hn ) (resid 35 and name hn ) 5.5 5.5 0.0 assign (resid 43 and name hn ) (resid 46 and name hn ) 5.5 5.5 0.0 assign (resid 44 and name hn ) (resid 47 and name hn ) 5.5 5.5 0.0 assign (resid 45 and name hn ) (resid 48 and name hn ) 5.5 5.5 0.0 assign (resid 46 and name hn ) (resid 49 and name hn ) 5.5 5.5 0.0 assign (resid 65 and name hn ) (resid 68 and name hn ) 5.5 5.5 0.0 assign (resid 78 and name hn ) (resid 81 and name hn ) 4.5 4.5 0.0 assign (resid 79 and name hn ) (resid 82 and name hn ) 5.5 5.5 0.0 assign (resid 81 and name hn ) (resid 84 and name hn ) 4.5 4.5 1.0 assign (resid 82 and name hn ) (resid 85 and name hn ) 4.5 4.5 1.0 assign (resid 86 and name hn ) (resid 89 and name hn ) 5.5 5.5 0.0 !ha(i)-hn(i+3) assign (resid 15 and name ha ) (resid 18 and name hn ) 5.5 5.5 0.5 assign (resid 24 and name ha ) (resid 27 and name hn ) 3.5 3.5 0.5 assign (resid 26 and name ha ) (resid 29 and name hn ) 3.5 3.5 0.5 assign (resid 27 and name ha ) (resid 30 and name hn ) 3.5 3.5 0.5 assign (resid 28 and name ha ) (resid 31 and name hn ) 3.5 3.5 0.5 assign (resid 30 and name ha ) (resid 33 and name hn ) 3.5 3.5 0.5 assign (resid 43 and name ha ) (resid 46 and name hn ) 3.5 3.5 0.5 assign (resid 44 and name ha ) (resid 47 and name hn ) 3.5 3.5 0.5 assign (resid 45 and name ha ) (resid 48 and name hn ) 3.5 3.5 0.5 assign (resid 46 and name ha ) (resid 49 and name hn ) 4.5 4.5 0.5 assign (resid 79 and name ha ) (resid 82 and name hn ) 3.5 3.5 0.5 assign (resid 80 and name ha ) (resid 83 and name hn ) 3.5 3.5 0.5 assign (resid 81 and name ha ) (resid 84 and name hn ) 3.5 3.5 0.5 assign (resid 82 and name ha ) (resid 85 and name hn ) 3.5 3.5 0.5 assign (resid 83 and name ha ) (resid 86 and name hn ) 3.5 3.5 0.5 assign (resid 84 and name ha ) (resid 87 and name hn ) 3.5 3.5 0.5 assign (resid 86 and name ha ) (resid 89 and name hn ) 3.5 3.5 0.5 assign (resid 101 and name ha ) (resid 104 and name hn ) 3.5 3.5 0.5 assign (resid 102 and name ha ) (resid 105 and name hn ) 3.5 3.5 0.5 assign (resid 104 and name ha ) (resid 107 and name hn ) 3.5 3.5 0.5 assign (resid 107 and name ha ) (resid 110 and name hn ) 4.5 4.5 1.0 !ha(i)-hb(i+3) assign (resid 24 and name ha ) (resid 27 and name hb2 ) 2.5 2.5 0.5 assign (resid 25 and name ha ) (resid 28 and name hb* ) 3.5 3.5 0.5 assign (resid 26 and name ha ) (resid 29 and name hb* ) 3.5 3.5 1.0 assign (resid 27 and name ha ) (resid 27 and name hb1 ) 2.5 2.5 0.5 assign (resid 27 and name ha ) (resid 27 and name hb2 ) 3.5 3.5 0.0 assign (resid 28 and name ha ) (resid 31 and name hb* ) 3.5 3.5 1.0 assign (resid 29 and name ha ) (resid 32 and name hb* ) 3.5 3.5 1.0 assign (resid 30 and name ha ) (resid 33 and name hb* ) 3.5 3.5 1.0 assign (resid 43 and name ha ) (resid 46 and name hb* ) 3.5 3.5 1.0 assign (resid 44 and name ha ) (resid 47 and name hb* ) 3.5 3.5 1.0 assign (resid 45 and name ha ) (resid 48 and name hb* ) 3.5 3.5 1.0 assign (resid 79 and name ha ) (resid 82 and name hb ) 3.5 3.5 0.0 assign (resid 80 and name ha ) (resid 83 and name hb2 ) 3.5 3.5 0.0 assign (resid 81 and name ha ) (resid 84 and name hb* ) 3.5 3.5 1.0 assign (resid 82 and name ha ) (resid 85 and name hb* ) 3.5 3.5 1.0 assign (resid 83 and name ha ) (resid 86 and name hb* ) 3.5 3.5 1.0 assign (resid 84 and name ha ) (resid 87 and name hb* ) 3.5 3.5 1.0 assign (resid 85 and name ha ) (resid 88 and name hb* ) 3.5 3.5 1.0 assign (resid 86 and name ha ) (resid 89 and name hb* ) 3.5 3.5 1.0 assign (resid 102 and name ha ) (resid 105 and name hb* ) 3.5 3.5 1.0 assign (resid 103 and name ha ) (resid 106 and name hb2 ) 3.5 3.5 0.5 assign (resid 104 and name ha ) (resid 107 and name hb* ) 3.5 3.5 1.0 !ha(i)-hn(i+4) assign (resid 24 and name ha ) (resid 28 and name hn ) 4.5 4.5 1.0 assign (resid 26 and name ha ) (resid 30 and name hn ) 4.5 4.5 1.0 assign (resid 27 and name ha ) (resid 31 and name hn ) 4.5 4.5 1.0 assign (resid 28 and name ha ) (resid 32 and name hn ) 4.5 4.5 1.0 assign (resid 29 and name ha ) (resid 33 and name hn ) 4.5 4.5 1.0 assign (resid 31 and name ha ) (resid 35 and name hn ) 4.5 4.5 1.0 assign (resid 80 and name ha ) (resid 84 and name hn ) 4.5 4.5 1.0 assign (resid 81 and name ha ) (resid 85 and name hn ) 4.5 4.5 1.0 assign (resid 82 and name ha ) (resid 86 and name hn ) 4.5 4.5 1.0 ! other medium-range noes assign (resid 3 and name ha ) (resid 5 and name he3 ) 4.5 4.5 0.0 assign (resid 3 and name hb1 ) (resid 5 and name he3 ) 3.5 3.5 0.0 assign (resid 3 and name hb1 ) (resid 5 and name hz3 ) 2.5 2.5 0.0 assign (resid 3 and name hb2 ) (resid 5 and name hz3 ) 3.5 3.5 0.0 assign (resid 5 and name hd1 ) (resid 7 and name hn ) 4.5 4.5 0.0 assign (resid 5 and name hd1 ) (resid 7 and name ha ) 5.5 5.5 0.0 assign (resid 5 and name hd1 ) (resid 7 and name hb1 ) 3.5 3.5 0.0 assign (resid 5 and name hd1 ) (resid 7 and name hb2 ) 5.5 5.5 0.0 assign (resid 5 and name he1 ) (resid 7 and name hb1 ) 3.5 3.5 0.0 assign (resid 5 and name he1 ) (resid 7 and name hb2 ) 5.5 5.5 0.0 assign (resid 5 and name he1 ) (resid 7 and name hg* ) 3.5 3.5 1.0 assign (resid 7 and name he2*) (resid 11 and name hn ) 4.5 4.5 1.0 assign (resid 7 and name he2*) (resid 11 and name ha* ) 4.5 4.5 2.0 assign (resid 8 and name hn ) (resid 12 and name hb1 ) 4.5 4.5 0.0 assign (resid 8 and name hn ) (resid 12 and name hb2 ) 5.5 5.5 0.0 assign (resid 8 and name hb* ) (resid 12 and name hd2*) 5.5 5.5 2.0 assign (resid 12 and name hg ) (resid 14 and name hn ) 4.5 4.5 0.0 assign (resid 12 and name hb* ) (resid 14 and name hn ) 5.5 5.5 0.0 assign (resid 12 and name hd1*) (resid 14 and name hn ) 5.5 5.5 1.0 assign (resid 12 and name hd2*) (resid 14 and name hn ) 4.5 4.5 1.0 assign (resid 15 and name hn ) (resid 19 and name ha ) 4.5 4.5 0.0 assign (resid 15 and name hb* ) (resid 18 and name he1 ) 5.5 5.5 0.0 assign (resid 15 and name hg* ) (resid 18 and name he1 ) 5.5 5.5 0.0 assign (resid 16 and name hb1 ) (resid 18 and name hd2 ) 4.5 4.5 0.0 assign (resid 16 and name hb2 ) (resid 18 and name hd2 ) 5.5 5.5 0.0 assign (resid 16 and name hb1 ) (resid 18 and name he1 ) 5.5 5.5 0.0 assign (resid 18 and name he1 ) (resid 20 and name ha ) 5.5 5.5 0.0 assign (resid 19 and name hg ) (resid 21 and name hn ) 5.5 5.5 0.0 assign (resid 19 and name hb1 ) (resid 21 and name hn ) 2.5 2.5 0.5 assign (resid 19 and name hb1 ) (resid 21 and name hd1 ) 4.5 4.5 0.0 assign (resid 21 and name hd1 ) (resid 23 and name ha ) 4.4 4.4 0.0 assign (resid 21 and name hd1 ) (resid 23 and name hb1 ) 3.5 3.5 1.0 assign (resid 21 and name hd1 ) (resid 23 and name hb2 ) 3.5 3.5 1.0 assign (resid 21 and name hd1 ) (resid 23 and name hd1*) 4.5 4.5 1.0 assign (resid 21 and name hd1 ) (resid 23 and name hd2*) 4.5 4.5 1.0 assign (resid 21 and name hd1 ) (resid 23 and name hn ) 3.5 3.5 0.0 assign (resid 21 and name hd1 ) (resid 23 and name hg ) 5.5 5.5 0.0 assign (resid 22 and name hd2 ) (resid 24 and name hb* ) 4.5 4.5 1.0 assign (resid 22 and name hd2 ) (resid 24 and name hg* ) 3.5 3.5 1.0 assign (resid 22 and name hd2 ) (resid 24 and name hd* ) 4.5 4.5 1.0 assign (resid 22 and name he1 ) (resid 24 and name hb* ) 5.5 5.5 1.0 assign (resid 22 and name he1 ) (resid 24 and name hg* ) 5.5 5.5 1.0 assign (resid 23 and name hn ) (resid 27 and name hg ) 4.5 4.5 0.0 assign (resid 23 and name hn ) (resid 27 and name hd1*) 6.5 6.5 0.0 assign (resid 23 and name hb* ) (resid 26 and name hn ) 4.5 4.5 1.0 assign (resid 23 and name hg ) (resid 25 and name hn ) 5.5 5.5 0.0 assign (resid 23 and name hg ) (resid 26 and name hn ) 3.5 3.5 0.0 assign (resid 23 and name hg ) (resid 27 and name hn ) 4.5 4.5 0.0 assign (resid 23 and name hg ) (resid 26 and name hb1 ) 3.5 3.5 0.0 assign (resid 23 and name hg ) (resid 26 and name hb2 ) 3.5 3.5 0.0 assign (resid 23 and name hd1*) (resid 25 and name hn ) 4.5 4.5 1.0 assign (resid 23 and name hd1*) (resid 26 and name hn ) 4.5 4.5 1.0 assign (resid 23 and name hd2*) (resid 26 and name hn ) 4.5 4.5 1.0 assign (resid 23 and name hd2*) (resid 26 and name hb1 ) 3.5 3.5 1.0 assign (resid 23 and name hd2*) (resid 26 and name hb2 ) 4.5 4.5 1.0 assign (resid 24 and name ha ) (resid 27 and name hg ) 4.5 4.5 0.0 assign (resid 24 and name ha ) (resid 27 and name hd1*) 3.5 3.5 1.0 assign (resid 24 and name hg* ) (resid 27 and name hd1*) 4.5 4.5 2.0 assign (resid 25 and name ha ) (resid 28 and name hd2 ) 3.5 3.5 0.0 assign (resid 30 and name hn ) (resid 32 and name hb* ) 5.5 5.5 1.0 assign (resid 30 and name hz ) (resid 34 and name hg2*) 4.5 4.5 1.0 assign (resid 31 and name ha ) (resid 34 and name hg1 ) 3.5 3.5 0.0 assign (resid 39 and name he* ) (resid 41 and name hg1*) 3.5 3.5 1.0 assign (resid 39 and name he* ) (resid 41 and name hg2*) 3.5 3.5 1.0 assign (resid 41 and name ha ) (resid 45 and name hb ) 5.5 5.5 0.0 assign (resid 41 and name hb ) (resid 45 and name hn ) 4.5 4.5 0.0 assign (resid 41 and name hb ) (resid 45 and name hb ) 2.5 2.5 0.0 assign (resid 49 and name hb* ) (resid 51 and name hn ) 4.5 4.5 1.0 assign (resid 54 and name hn ) (resid 59 and name hd2*) 3.5 3.5 1.0 assign (resid 54 and name hb* ) (resid 57 and name he ) 3.5 3.5 1.0 assign (resid 54 and name hd1*) (resid 57 and name he ) 5.5 5.5 2.0 assign (resid 54 and name hd1*) (resid 57 and name hd* ) 4.5 4.5 2.0 assign (resid 57 and name hn ) (resid 59 and name hd2*) 4.5 4.5 1.0 assign (resid 58 and name hg2*) (resid 60 and name hg2*) 3.5 3.5 2.0 assign (resid 58 and name hg2*) (resid 60 and name hn ) 5.5 5.5 0.0 assign (resid 61 and name hg1*) (resid 63 and name hb ) 4.5 4.5 1.0 assign (resid 61 and name hg1*) (resid 63 and name hg2*) 4.5 4.5 2.0 assign (resid 63 and name hg2*) (resid 68 and name hn ) 4.5 4.5 1.0 assign (resid 70 and name hb* ) (resid 73 and name ha ) 5.5 5.5 1.0 assign (resid 70 and name hn ) (resid 75 and name hb ) 5.5 5.5 0.0 assign (resid 73 and name hb* ) (resid 75 and name hn ) 5.5 5.5 0.0 assign (resid 75 and name hg1*) (resid 77 and name he1 ) 3.5 3.5 1.0 assign (resid 75 and name hb ) (resid 77 and name he1 ) 5.5 5.5 1.0 assign (resid 76 and name hb ) (resid 78 and name hn ) 3.5 3.5 0.0 assign (resid 76 and name hb ) (resid 81 and name hn ) 5.5 5.5 0.0 assign (resid 76 and name hg2*) (resid 78 and name hn ) 4.5 4.5 1.0 assign (resid 76 and name hg2*) (resid 81 and name hb* ) 5.5 5.5 1.0 assign (resid 77 and name hn ) (resid 81 and name hb* ) 4.5 4.5 1.0 assign (resid 78 and name hb* ) (resid 81 and name hn ) 6.5 6.5 0.0 assign (resid 78 and name hb* ) (resid 80 and name hn ) 4.5 4.5 1.0 assign (resid 78 and name hn ) (resid 81 and name hb* ) 3.5 3.5 1.0 assign (resid 79 and name ha ) (resid 82 and name hg2*) 3.5 3.5 1.0 assign (resid 82 and name hb ) (resid 84 and name hn ) 5.5 5.5 0.0 assign (resid 82 and name hg1*) (resid 85 and name hn ) 5.5 5.5 1.0 assign (resid 84 and name hb* ) (resid 86 and name hn ) 5.5 5.5 1.0 assign (resid 84 and name hn ) (resid 87 and name hb* ) 5.5 5.5 1.0 assign (resid 84 and name ha ) (resid 87 and name hd* ) 3.5 3.5 1.0 assign (resid 86 and name ha ) (resid 89 and name hd2 ) 5.5 5.5 1.0 assign (resid 89 and name hb* ) (resid 92 and name hn ) 4.5 4.5 1.0 assign (resid 94 and name hg ) (resid 96 and name hd1*) 4.5 4.5 1.0 assign (resid 96 and name hg2*) (resid 98 and name hn ) 3.5 3.5 1.0 assign (resid 98 and name hn ) (resid 102 and name hg1*) 4.5 4.5 1.0 assign (resid 98 and name hn ) (resid 102 and name hg2*) 4.5 4.5 1.0 assign (resid 100 and name hb* ) (resid 103 and name hn ) 5.5 5.5 1.0 assign (resid 102 and name hg2*) (resid 106 and name hn ) 4.5 4.5 1.0 assign (resid 104 and name hn ) (resid 107 and name hb* ) 6.5 6.5 0.0 assign (resid 107 and name hb* ) (resid 109 and name hn ) 6.5 6.5 0.0 assign (resid 116 and name hb ) (resid 118 and name hd1*) 4.5 4.5 1.0 assign (resid 116 and name hg2*) (resid 118 and name hd1*) 2.5 2.5 2.0 assign (resid 118 and name hb1 ) (resid 120 and name hn ) 3.5 3.5 0.0 assign (resid 118 and name hb2 ) (resid 120 and name hn ) 5.5 5.5 0.0 assign (resid 118 and name hd2*) (resid 122 and name hz ) 4.5 4.5 1.0 assign (resid 128 and name he* ) (resid 131 and name hd1*) 2.5 2.5 2.0 assign (resid 128 and name he* ) (resid 131 and name hd2*) 3.5 3.5 2.0 assign (resid 130 and name ha ) (resid 133 and name he1 ) 5.5 5.5 0.0 assign (resid 131 and name hn ) (resid 133 and name he1 ) 4.5 4.5 0.0 assign (resid 131 and name hb1 ) (resid 133 and name hd1 ) 5.5 5.5 0.0 assign (resid 131 and name hb2 ) (resid 133 and name hd1 ) 4.5 4.5 0.0 assign (resid 131 and name hb1 ) (resid 133 and name he1 ) 5.5 5.5 0.5 assign (resid 131 and name hb2 ) (resid 133 and name he1 ) 4.5 4.5 0.5 assign (resid 131 and name hb1 ) (resid 133 and name hn ) 5.5 5.5 0.0 assign (resid 131 and name hb2 ) (resid 133 and name hn ) 4.5 4.5 0.0 assign (resid 131 and name hd1*) (resid 133 and name hd1 ) 5.5 5.5 1.0 assign (resid 131 and name hd1*) (resid 133 and name hz2 ) 3.5 3.5 1.0 assign (resid 132 and name hb1 ) (resid 135 and name hn ) 5.5 5.5 0.0 assign (resid 133 and name he3 ) (resid 136 and name hb1 ) 5.5 5.5 0.0 assign (resid 133 and name he3 ) (resid 136 and name hb2 ) 5.5 5.5 0.0 assign (resid 138 and name hg* ) (resid 140 and name hn ) 4.5 4.5 1.0 assign (resid 146 and name hb1 ) (resid 148 and name hn ) 4.5 4.5 0.0 assign (resid 146 and name hb2 ) (resid 148 and name hn ) 5.5 5.5 0.0 assign (resid 148 and name hb* ) (resid 151 and name hn ) 5.5 5.5 1.0 assign (resid 148 and name hb* ) (resid 151 and name hd1*) 4.5 4.5 1.0 assign (resid 148 and name hb* ) (resid 151 and name hb* ) 4.5 4.5 2.0 assign (resid 148 and name hd2*) (resid 150 and name hb* ) 3.5 3.5 2.5 assign (resid 148 and name hd2*) (resid 151 and name hd1*) 4.5 4.5 2.0 assign (resid 149 and name ha ) (resid 152 and name hg1 ) 3.5 3.5 0.0 assign (resid 154 and name hg2*) (resid 156 and name hn ) 5.5 5.5 0.0 assign (resid 156 and name ha ) (resid 158 and name he1 ) 5.5 5.5 0.0 assign (resid 156 and name hb1 ) (resid 158 and name hd1 ) 4.5 4.5 0.0 assign (resid 156 and name hb2 ) (resid 158 and name hd1 ) 4.5 4.5 0.0 assign (resid 156 and name hb1 ) (resid 158 and name he1 ) 2.5 2.5 0.0 assign (resid 156 and name hb2 ) (resid 158 and name he1 ) 3.5 3.5 0.0 !sequential noes !r-6 averaging for aromatics and some others assign (resid 3 and name hd* ) (resid 4 and name hn ) 5.5 5.5 0.0 assign (resid 18 and name ha ) (resid 19 and name hd* ) 5.5 5.5 0.0 assign (resid 23 and name ha ) (resid 24 and name hd* ) 2.5 2.5 0.0 assign (resid 29 and name hd* ) (resid 30 and name hn ) 4.5 4.5 0.5 assign (resid 29 and name hd* ) (resid 30 and name ha ) 5.5 5.5 0.0 assign (resid 30 and name hd* ) (resid 31 and name hn ) 5.5 5.5 0.0 assign (resid 30 and name hd* ) (resid 31 and name ha ) 5.5 5.5 0.0 assign (resid 35 and name hg* ) (resid 36 and name hn ) 4.5 4.5 0.5 assign (resid 46 and name hd* ) (resid 47 and name hn ) 5.5 5.5 0.0 assign (resid 46 and name hd* ) (resid 47 and name ha ) 5.5 5.5 0.0 assign (resid 46 and name hd* ) (resid 47 and name hg* ) 4.5 4.5 0.0 assign (resid 49 and name hd* ) (resid 50 and name hd* ) 5.5 5.5 0.0 assign (resid 68 and name hd* ) (resid 69 and name hn ) 4.5 4.5 0.0 assign (resid 68 and name he* ) (resid 69 and name hn ) 5.5 5.5 0.0 assign (resid 79 and name hg* ) (resid 80 and name hn ) 5.5 5.5 0.0 assign (resid 83 and name hd* ) (resid 84 and name hn ) 5.5 5.5 0.0 assign (resid 85 and name hd* ) (resid 86 and name hn ) 5.5 5.5 0.0 assign (resid 94 and name hd* ) (resid 95 and name hn ) 4.5 4.5 0.0 assign (resid 98 and name ha* ) (resid 99 and name ha* ) 3.5 3.5 0.0 assign (resid 103 and name hd* ) (resid 104 and name hn ) 5.5 5.5 0.0 assign (resid 106 and name hd* ) (resid 105 and name hb* ) 5.5 5.5 0.0 assign (resid 107 and name hd* ) (resid 108 and name hn ) 5.5 5.5 0.0 assign (resid 114 and name ha ) (resid 115 and name hg* ) 5.5 5.5 0.0 assign (resid 115 and name hg* ) (resid 116 and name hn ) 3.5 3.5 0.0 assign (resid 121 and name ha ) (resid 122 and name hd* ) 4.5 4.5 0.0 assign (resid 135 and name hn ) (resid 136 and name he* ) 5.5 5.5 0.0 assign (resid 135 and name hn ) (resid 136 and name hd* ) 3.5 3.5 0.0 assign (resid 136 and name hd* ) (resid 137 and name hn ) 4.5 4.5 0.0 assign (resid 139 and name hg* ) (resid 140 and name hn ) 4.5 4.5 0.0 assign (resid 156 and name hn ) (resid 155 and name hd* ) 5.5 5.5 0.0 assign (resid 157 and name hg* ) (resid 158 and name hn ) 4.5 4.5 0.0 assign (resid 157 and name hg* ) (resid 158 and name hd1 ) 5.5 5.5 1.0 !hn(i)-hn(i+1) assign (resid 4 and name hn ) (resid 5 and name hn ) 5.5 5.5 0.0 assign (resid 5 and name hn ) (resid 6 and name hn ) 5.5 5.5 0.0 assign (resid 6 and name hn ) (resid 7 and name hn ) 4.5 4.5 0.0 assign (resid 7 and name hn ) (resid 8 and name hn ) 5.5 5.5 0.0 assign (resid 9 and name hn ) (resid 10 and name hn ) 3.5 3.5 0.0 assign (resid 10 and name hn ) (resid 11 and name hn ) 2.5 2.5 0.5 assign (resid 11 and name hn ) (resid 12 and name hn ) 3.5 3.5 0.0 assign (resid 12 and name hn ) (resid 13 and name hn ) 5.5 5.5 0.0 assign (resid 13 and name hn ) (resid 14 and name hn ) 2.5 2.5 0.0 assign (resid 15 and name hn ) (resid 16 and name hn ) 5.5 5.5 0.0 assign (resid 16 and name hn ) (resid 17 and name hn ) 3.5 3.5 0.0 assign (resid 17 and name hn ) (resid 18 and name hn ) 4.5 4.5 0.0 assign (resid 25 and name hn ) (resid 26 and name hn ) 2.5 2.5 1.0 assign (resid 26 and name hn ) (resid 27 and name hn ) 2.5 2.5 1.0 assign (resid 27 and name hn ) (resid 28 and name hn ) 2.5 2.5 1.0 assign (resid 28 and name hn ) (resid 29 and name hn ) 2.5 2.5 1.0 assign (resid 29 and name hn ) (resid 30 and name hn ) 2.5 2.5 1.0 assign (resid 30 and name hn ) (resid 31 and name hn ) 3.5 3.5 0.0 assign (resid 31 and name hn ) (resid 32 and name hn ) 3.5 3.5 0.0 assign (resid 32 and name hn ) (resid 33 and name hn ) 3.5 3.5 0.0 assign (resid 33 and name hn ) (resid 34 and name hn ) 2.5 2.5 0.5 assign (resid 34 and name hn ) (resid 35 and name hn ) 2.5 2.5 0.0 assign (resid 35 and name hn ) (resid 36 and name hn ) 5.5 5.5 0.0 assign (resid 36 and name hn ) (resid 37 and name hn ) 4.5 4.5 0.0 assign (resid 38 and name hn ) (resid 39 and name hn ) 5.5 5.5 0.0 assign (resid 41 and name hn ) (resid 42 and name hn ) 5.5 5.5 0.0 assign (resid 43 and name hn ) (resid 44 and name hn ) 3.5 3.5 0.0 assign (resid 44 and name hn ) (resid 45 and name hn ) 3.5 3.5 0.0 assign (resid 45 and name hn ) (resid 46 and name hn ) 3.5 3.5 0.0 assign (resid 46 and name hn ) (resid 47 and name hn ) 3.5 3.5 0.0 assign (resid 47 and name hn ) (resid 48 and name hn ) 3.5 3.5 0.0 assign (resid 48 and name hn ) (resid 49 and name hn ) 3.5 3.5 0.0 assign (resid 51 and name hn ) (resid 52 and name hn ) 5.5 5.5 0.0 assign (resid 56 and name hn ) (resid 57 and name hn ) 3.5 3.5 0.0 assign (resid 57 and name hn ) (resid 58 and name hn ) 4.5 4.5 0.0 assign (resid 59 and name hn ) (resid 60 and name hn ) 4.5 4.5 0.0 assign (resid 63 and name hn ) (resid 64 and name hn ) 5.5 5.5 0.0 assign (resid 66 and name hn ) (resid 67 and name hn ) 3.5 3.5 0.0 assign (resid 67 and name hn ) (resid 68 and name hn ) 2.5 2.5 0.0 assign (resid 68 and name hn ) (resid 69 and name hn ) 5.5 5.5 0.0 assign (resid 69 and name hn ) (resid 70 and name hn ) 4.5 4.5 0.0 assign (resid 70 and name hn ) (resid 71 and name hn ) 4.5 4.5 0.0 assign (resid 72 and name hn ) (resid 73 and name hn ) 4.5 4.5 0.0 assign (resid 73 and name hn ) (resid 74 and name hn ) 4.5 4.5 0.0 assign (resid 74 and name hn ) (resid 75 and name hn ) 4.5 4.5 0.0 assign (resid 75 and name hn ) (resid 76 and name hn ) 4.5 4.5 0.0 assign (resid 77 and name hn ) (resid 78 and name hn ) 3.5 3.5 0.0 assign (resid 78 and name hn ) (resid 79 and name hn ) 4.5 4.5 0.0 assign (resid 80 and name hn ) (resid 81 and name hn ) 3.5 3.5 0.0 assign (resid 81 and name hn ) (resid 82 and name hn ) 3.5 3.5 0.0 assign (resid 82 and name hn ) (resid 83 and name hn ) 3.5 3.5 0.0 assign (resid 83 and name hn ) (resid 84 and name hn ) 3.5 3.5 0.0 assign (resid 84 and name hn ) (resid 85 and name hn ) 3.5 3.5 0.0 assign (resid 85 and name hn ) (resid 86 and name hn ) 3.5 3.5 0.0 assign (resid 86 and name hn ) (resid 87 and name hn ) 3.5 3.5 0.0 assign (resid 87 and name hn ) (resid 88 and name hn ) 3.5 3.5 0.0 assign (resid 88 and name hn ) (resid 89 and name hn ) 3.5 3.5 0.0 assign (resid 91 and name hn ) (resid 92 and name hn ) 3.5 3.5 0.0 assign (resid 92 and name hn ) (resid 93 and name hn ) 5.5 5.5 0.0 assign (resid 94 and name hn ) (resid 95 and name hn ) 5.5 5.5 0.0 assign (resid 95 and name hn ) (resid 96 and name hn ) 5.5 5.5 0.0 assign (resid 96 and name hn ) (resid 97 and name hn ) 5.5 5.5 0.0 assign (resid 97 and name hn ) (resid 98 and name hn ) 2.5 2.5 0.0 assign (resid 101 and name hn ) (resid 102 and name hn ) 3.5 3.5 0.0 assign (resid 102 and name hn ) (resid 103 and name hn ) 3.5 3.5 0.0 assign (resid 103 and name hn ) (resid 104 and name hn ) 3.5 3.5 0.0 assign (resid 104 and name hn ) (resid 105 and name hn ) 3.5 3.5 0.0 assign (resid 105 and name hn ) (resid 106 and name hn ) 3.5 3.5 0.0 assign (resid 106 and name hn ) (resid 107 and name hn ) 3.5 3.5 0.0 assign (resid 107 and name hn ) (resid 108 and name hn ) 3.5 3.5 0.0 assign (resid 108 and name hn ) (resid 109 and name hn ) 3.5 3.5 0.0 assign (resid 109 and name hn ) (resid 110 and name hn ) 3.5 3.5 0.0 assign (resid 110 and name hn ) (resid 111 and name hn ) 5.5 5.5 0.0 assign (resid 111 and name hn ) (resid 112 and name hn ) 2.5 2.5 0.0 assign (resid 113 and name hn ) (resid 114 and name hn ) 4.5 4.5 0.0 assign (resid 114 and name hn ) (resid 115 and name hn ) 4.5 4.5 0.0 assign (resid 119 and name hn ) (resid 120 and name hn ) 3.5 3.5 0.0 assign (resid 120 and name hn ) (resid 121 and name hn ) 5.5 5.5 0.0 assign (resid 121 and name hn ) (resid 122 and name hn ) 4.5 4.5 0.5 assign (resid 123 and name hn ) (resid 124 and name hn ) 5.5 5.5 0.0 assign (resid 124 and name hn ) (resid 125 and name hn ) 4.5 4.5 0.0 assign (resid 125 and name hn ) (resid 126 and name hn ) 2.5 2.5 0.0 assign (resid 126 and name hn ) (resid 127 and name hn ) 5.5 5.5 0.0 assign (resid 127 and name hn ) (resid 128 and name hn ) 5.5 5.5 0.0 assign (resid 128 and name hn ) (resid 129 and name hn ) 5.5 5.5 0.0 assign (resid 131 and name hn ) (resid 132 and name hn ) 5.5 5.5 0.0 assign (resid 132 and name hn ) (resid 133 and name hn ) 5.5 5.5 0.0 assign (resid 133 and name hn ) (resid 134 and name hn ) 3.5 3.5 0.0 assign (resid 134 and name hn ) (resid 135 and name hn ) 3.5 3.5 0.0 assign (resid 135 and name hn ) (resid 136 and name hn ) 3.5 3.5 0.0 assign (resid 136 and name hn ) (resid 137 and name hn ) 5.5 5.5 0.0 assign (resid 137 and name hn ) (resid 138 and name hn ) 4.5 4.5 0.0 assign (resid 138 and name hn ) (resid 139 and name hn ) 5.5 5.5 0.0 assign (resid 139 and name hn ) (resid 140 and name hn ) 4.5 4.5 0.0 assign (resid 140 and name hn ) (resid 141 and name hn ) 4.5 4.5 0.0 assign (resid 141 and name hn ) (resid 142 and name hn ) 4.5 4.5 0.0 assign (resid 144 and name hn ) (resid 145 and name hn ) 4.5 4.5 0.0 assign (resid 145 and name hn ) (resid 146 and name hn ) 4.5 4.5 0.0 assign (resid 146 and name hn ) (resid 147 and name hn ) 5.5 5.5 0.0 assign (resid 147 and name hn ) (resid 148 and name hn ) 3.5 3.5 0.0 assign (resid 150 and name hn ) (resid 151 and name hn ) 3.5 3.5 0.0 assign (resid 151 and name hn ) (resid 152 and name hn ) 3.5 3.5 0.0 assign (resid 152 and name hn ) (resid 153 and name hn ) 4.5 4.5 0.5 assign (resid 154 and name hn ) (resid 155 and name hn ) 5.5 5.5 0.0 assign (resid 155 and name hn ) (resid 156 and name hn ) 5.5 5.5 0.0 assign (resid 156 and name hn ) (resid 157 and name hn ) 4.5 4.5 0.5 assign (resid 159 and name hn ) (resid 160 and name hn ) 4.5 4.5 0.0 assign (resid 161 and name hn ) (resid 162 and name hn ) 4.5 4.5 0.0 !ha(i)-hn(i+1) assign (resid 1 and name ha ) (resid 2 and name hn ) 2.5 2.5 0.0 assign (resid 2 and name ha ) (resid 3 and name hn ) 2.5 2.5 0.0 assign (resid 3 and name ha ) (resid 4 and name hn ) 2.5 2.5 0.0 assign (resid 4 and name ha ) (resid 5 and name hn ) 2.5 2.5 0.0 assign (resid 5 and name ha ) (resid 6 and name hn ) 2.5 2.5 0.0 assign (resid 6 and name ha ) (resid 7 and name hn ) 2.5 2.5 0.0 assign (resid 7 and name ha ) (resid 8 and name hn ) 2.5 2.5 0.5 assign (resid 8 and name ha ) (resid 9 and name hn ) 3.5 3.5 0.5 assign (resid 10 and name ha ) (resid 11 and name hn ) 3.5 3.5 0.5 assign (resid 11 and name ha* ) (resid 12 and name hn ) 3.5 3.5 1.0 assign (resid 12 and name ha ) (resid 13 and name hn ) 2.5 2.5 0.0 assign (resid 13 and name ha ) (resid 14 and name hn ) 4.5 4.5 0.0 assign (resid 14 and name ha* ) (resid 15 and name hn ) 3.5 3.5 1.0 assign (resid 15 and name ha ) (resid 16 and name hn ) 2.5 2.5 0.5 assign (resid 16 and name ha ) (resid 17 and name hn ) 3.5 3.5 0.0 assign (resid 17 and name ha* ) (resid 18 and name hn ) 3.5 3.5 1.0 assign (resid 20 and name ha ) (resid 21 and name hn ) 3.5 3.5 0.5 assign (resid 21 and name ha ) (resid 22 and name hn ) 3.5 3.5 0.5 assign (resid 22 and name ha ) (resid 23 and name hn ) 3.5 3.5 0.5 assign (resid 25 and name ha ) (resid 26 and name hn ) 5.5 5.5 0.0 assign (resid 26 and name ha ) (resid 27 and name hn ) 4.5 4.5 0.5 assign (resid 27 and name ha ) (resid 28 and name hn ) 4.5 4.5 0.5 assign (resid 28 and name ha ) (resid 29 and name hn ) 4.5 4.5 0.5 assign (resid 29 and name ha ) (resid 30 and name hn ) 3.5 3.5 0.5 assign (resid 30 and name ha ) (resid 31 and name hn ) 4.5 4.5 0.5 assign (resid 31 and name ha ) (resid 32 and name hn ) 3.5 3.5 0.5 assign (resid 32 and name ha ) (resid 33 and name hn ) 3.5 3.5 0.5 assign (resid 33 and name ha ) (resid 34 and name hn ) 3.5 3.5 0.5 assign (resid 34 and name ha ) (resid 35 and name hn ) 3.5 3.5 0.5 assign (resid 35 and name ha ) (resid 36 and name hn ) 2.5 2.5 0.5 assign (resid 36 and name ha* ) (resid 37 and name hn ) 3.5 3.5 1.0 assign (resid 37 and name ha ) (resid 38 and name hn ) 4.5 4.5 0.5 assign (resid 38 and name ha ) (resid 39 and name hn ) 2.5 2.5 0.5 assign (resid 40 and name ha ) (resid 41 and name hn ) 2.5 2.5 0.5 assign (resid 41 and name ha ) (resid 42 and name hn ) 2.5 2.5 0.5 assign (resid 42 and name ha* ) (resid 43 and name hn ) 3.5 3.5 1.0 assign (resid 43 and name ha ) (resid 44 and name hn ) 3.5 3.5 0.5 assign (resid 44 and name ha ) (resid 45 and name hn ) 3.5 3.5 0.5 assign (resid 45 and name ha ) (resid 46 and name hn ) 4.5 4.5 0.5 assign (resid 46 and name ha ) (resid 47 and name hn ) 4.5 4.5 0.5 assign (resid 47 and name ha ) (resid 48 and name hn ) 4.5 4.5 0.5 assign (resid 48 and name ha ) (resid 49 and name hn ) 3.5 3.5 0.5 assign (resid 51 and name ha ) (resid 52 and name hn ) 2.5 2.5 0.5 assign (resid 53 and name ha ) (resid 54 and name hn ) 2.5 2.5 0.5 assign (resid 55 and name ha ) (resid 56 and name hn ) 2.5 2.5 0.5 assign (resid 56 and name ha ) (resid 57 and name hn ) 3.5 3.5 0.5 assign (resid 57 and name ha ) (resid 58 and name hn ) 3.5 3.5 0.5 assign (resid 58 and name ha ) (resid 59 and name hn ) 2.5 2.5 0.5 assign (resid 59 and name ha ) (resid 60 and name hn ) 2.5 2.5 0.5 assign (resid 60 and name ha ) (resid 61 and name hn ) 2.5 2.5 0.5 assign (resid 65 and name ha ) (resid 66 and name hn ) 2.5 2.5 0.5 assign (resid 66 and name ha ) (resid 67 and name hn ) 3.5 3.5 0.5 assign (resid 67 and name ha ) (resid 68 and name hn ) 4.5 4.5 0.5 assign (resid 68 and name ha ) (resid 69 and name hn ) 2.5 2.5 0.5 assign (resid 70 and name ha ) (resid 71 and name hn ) 2.5 2.5 0.5 assign (resid 71 and name ha ) (resid 72 and name hn ) 3.5 3.5 0.5 assign (resid 72 and name ha* ) (resid 73 and name hn ) 3.5 3.5 1.0 assign (resid 73 and name ha ) (resid 74 and name hn ) 3.5 3.5 0.5 assign (resid 74 and name ha ) (resid 75 and name hn ) 2.5 2.5 0.5 assign (resid 75 and name ha ) (resid 76 and name hn ) 2.5 2.5 0.5 assign (resid 76 and name ha ) (resid 77 and name hn ) 2.5 2.5 0.5 assign (resid 77 and name ha ) (resid 78 and name hn ) 4.5 4.5 0.5 assign (resid 78 and name ha ) (resid 79 and name hn ) 3.5 3.5 0.5 assign (resid 79 and name ha ) (resid 80 and name hn ) 4.5 4.5 0.5 assign (resid 81 and name ha ) (resid 82 and name hn ) 4.5 4.5 0.5 assign (resid 82 and name ha ) (resid 83 and name hn ) 4.5 4.5 0.5 assign (resid 83 and name ha ) (resid 84 and name hn ) 3.5 3.5 0.5 assign (resid 84 and name ha ) (resid 85 and name hn ) 4.5 4.5 0.5 assign (resid 85 and name ha ) (resid 86 and name hn ) 3.5 3.5 0.5 assign (resid 86 and name ha ) (resid 87 and name hn ) 3.5 3.5 0.5 assign (resid 88 and name ha ) (resid 89 and name hn ) 3.5 3.5 0.5 assign (resid 91 and name ha ) (resid 92 and name hn ) 3.5 3.5 0.5 assign (resid 92 and name ha ) (resid 93 and name hn ) 2.5 2.5 0.5 assign (resid 93 and name ha ) (resid 94 and name hn ) 2.5 2.5 0.5 assign (resid 94 and name ha ) (resid 95 and name hn ) 2.5 2.5 0.5 assign (resid 95 and name ha ) (resid 96 and name hn ) 2.5 2.5 0.5 assign (resid 96 and name ha ) (resid 97 and name hn ) 2.5 2.5 0.5 assign (resid 99 and name ha* ) (resid 100 and name hn ) 4.5 4.5 1.0 assign (resid 100 and name ha ) (resid 101 and name hn ) 4.5 4.5 0.5 assign (resid 101 and name ha ) (resid 102 and name hn ) 4.5 4.5 0.5 assign (resid 102 and name ha ) (resid 103 and name hn ) 3.5 3.5 0.5 assign (resid 103 and name ha ) (resid 104 and name hn ) 4.5 4.5 0.5 assign (resid 104 and name ha ) (resid 105 and name hn ) 3.5 3.5 0.5 assign (resid 105 and name ha ) (resid 106 and name hn ) 3.5 3.5 0.5 assign (resid 106 and name ha ) (resid 107 and name hn ) 3.5 3.5 0.5 assign (resid 107 and name ha ) (resid 108 and name hn ) 3.5 3.5 0.5 assign (resid 108 and name ha ) (resid 109 and name hn ) 4.5 4.5 0.5 assign (resid 109 and name ha ) (resid 110 and name hn ) 3.5 3.5 0.5 assign (resid 110 and name ha ) (resid 111 and name hn ) 2.5 2.5 0.5 assign (resid 111 and name ha ) (resid 112 and name hn ) 3.5 3.5 0.5 assign (resid 112 and name ha ) (resid 113 and name hn ) 2.5 2.5 0.5 assign (resid 113 and name ha ) (resid 114 and name hn ) 2.5 2.5 0.5 assign (resid 114 and name ha ) (resid 115 and name hn ) 2.5 2.5 0.5 assign (resid 115 and name ha ) (resid 116 and name hn ) 2.5 2.5 0.5 assign (resid 116 and name ha ) (resid 117 and name hn ) 2.5 2.5 0.5 assign (resid 118 and name ha ) (resid 119 and name hn ) 2.5 2.5 0.5 assign (resid 119 and name ha ) (resid 120 and name hn ) 3.5 3.5 0.5 assign (resid 120 and name ha* ) (resid 121 and name hn ) 2.5 2.5 1.0 assign (resid 121 and name ha ) (resid 122 and name hn ) 2.5 2.5 0.5 assign (resid 122 and name ha ) (resid 123 and name hn ) 3.5 3.5 0.5 assign (resid 123 and name ha ) (resid 124 and name hn ) 2.5 2.5 0.5 assign (resid 124 and name ha* ) (resid 125 and name hn ) 2.5 2.5 1.0 assign (resid 125 and name ha ) (resid 126 and name hn ) 3.5 3.5 0.5 assign (resid 126 and name ha ) (resid 127 and name hn ) 2.5 2.5 0.5 assign (resid 127 and name ha ) (resid 128 and name hn ) 2.5 2.5 0.5 assign (resid 128 and name ha ) (resid 129 and name hn ) 2.5 2.5 0.5 assign (resid 130 and name ha ) (resid 131 and name hn ) 2.5 2.5 0.5 assign (resid 131 and name ha ) (resid 132 and name hn ) 2.5 2.5 0.5 assign (resid 132 and name ha ) (resid 133 and name hn ) 2.5 2.5 0.5 assign (resid 133 and name ha ) (resid 134 and name hn ) 4.5 4.5 0.5 assign (resid 135 and name ha ) (resid 136 and name hn ) 3.5 3.5 0.5 assign (resid 136 and name ha ) (resid 137 and name hn ) 2.5 2.5 0.5 assign (resid 137 and name ha ) (resid 138 and name hn ) 2.5 2.5 0.5 assign (resid 138 and name ha ) (resid 139 and name hn ) 2.5 2.5 0.5 assign (resid 139 and name ha ) (resid 140 and name hn ) 3.5 3.5 0.5 assign (resid 140 and name ha ) (resid 141 and name hn ) 2.5 2.5 0.5 assign (resid 141 and name ha ) (resid 142 and name hn ) 2.5 2.5 0.5 assign (resid 142 and name ha ) (resid 143 and name hn ) 2.5 2.5 0.5 assign (resid 143 and name ha ) (resid 144 and name hn ) 2.5 2.5 0.5 assign (resid 144 and name ha ) (resid 145 and name hn ) 2.5 2.5 0.5 assign (resid 145 and name ha ) (resid 146 and name hn ) 2.5 2.5 0.5 assign (resid 146 and name ha ) (resid 147 and name hn ) 2.5 2.5 0.5 assign (resid 147 and name ha ) (resid 148 and name hn ) 3.5 3.5 0.5 assign (resid 149 and name ha ) (resid 150 and name hn ) 3.5 3.5 0.5 assign (resid 150 and name ha ) (resid 151 and name hn ) 3.5 3.5 0.5 assign (resid 152 and name ha ) (resid 153 and name hn ) 2.5 2.5 0.5 assign (resid 153 and name ha ) (resid 154 and name hn ) 2.5 2.5 0.5 assign (resid 154 and name ha ) (resid 155 and name hn ) 2.5 2.5 0.5 assign (resid 155 and name ha ) (resid 156 and name hn ) 2.5 2.5 0.5 assign (resid 156 and name ha ) (resid 157 and name hn ) 2.5 2.5 0.5 assign (resid 157 and name ha ) (resid 158 and name hn ) 2.5 2.5 0.5 assign (resid 158 and name ha ) (resid 159 and name hn ) 2.5 2.5 0.5 assign (resid 159 and name ha ) (resid 160 and name hn ) 2.5 2.5 0.5 assign (resid 160 and name ha ) (resid 161 and name hn ) 2.5 2.5 0.5 !hb(i)-hn(i+1) assign (resid 1 and name hb ) (resid 2 and name hn ) 4.5 4.5 0.0 assign (resid 2 and name hb* ) (resid 3 and name hn ) 4.5 4.5 1.0 assign (resid 3 and name hb1 ) (resid 4 and name hn ) 3.5 3.5 1.0 assign (resid 3 and name hb2 ) (resid 4 and name hn ) 4.5 4.5 1.0 assign (resid 5 and name hb* ) (resid 6 and name hn ) 4.2 4.2 1.0 assign (resid 6 and name hb* ) (resid 7 and name hn ) 4.5 4.5 1.0 assign (resid 7 and name hb1 ) (resid 8 and name hn ) 4.5 4.5 0.0 assign (resid 7 and name hb2 ) (resid 8 and name hn ) 3.5 3.5 0.0 assign (resid 8 and name hb1 ) (resid 9 and name hn ) 4.5 4.5 0.0 assign (resid 8 and name hb2 ) (resid 9 and name hn ) 3.5 3.5 0.0 assign (resid 9 and name hb1 ) (resid 10 and name hn ) 3.5 3.5 1.0 assign (resid 10 and name hb1 ) (resid 11 and name hn ) 5.5 5.5 0.0 assign (resid 10 and name hb2 ) (resid 11 and name hn ) 4.5 4.5 0.0 assign (resid 12 and name hb* ) (resid 13 and name hn ) 4.5 4.5 1.0 assign (resid 15 and name hb1 ) (resid 16 and name hn ) 4.5 4.5 0.0 assign (resid 15 and name hb2 ) (resid 16 and name hn ) 4.5 4.5 0.0 assign (resid 16 and name hb1 ) (resid 17 and name hn ) 5.5 5.5 0.0 assign (resid 16 and name hb2 ) (resid 17 and name hn ) 5.5 5.5 0.0 assign (resid 20 and name hb* ) (resid 21 and name hn ) 5.5 5.5 0.0 assign (resid 21 and name hb1 ) (resid 22 and name hn ) 4.5 4.5 0.0 assign (resid 21 and name hb2 ) (resid 22 and name hn ) 3.5 3.5 0.0 assign (resid 22 and name hb* ) (resid 23 and name hn ) 5.5 5.5 0.0 assign (resid 24 and name hb* ) (resid 25 and name hn ) 4.5 4.5 1.0 assign (resid 25 and name hb* ) (resid 26 and name hn ) 5.5 5.5 0.0 assign (resid 26 and name hb1 ) (resid 27 and name hn ) 3.5 3.5 0.0 assign (resid 26 and name hb2 ) (resid 27 and name hn ) 4.5 4.5 0.0 assign (resid 27 and name hb1 ) (resid 28 and name hn ) 4.5 4.5 0.0 assign (resid 27 and name hb2 ) (resid 28 and name hn ) 3.5 3.5 0.0 assign (resid 28 and name hb* ) (resid 29 and name hn ) 3.5 3.5 1.0 assign (resid 29 and name hb1 ) (resid 30 and name hn ) 3.5 3.5 0.0 assign (resid 29 and name hb2 ) (resid 30 and name hn ) 4.5 4.5 0.0 assign (resid 30 and name hb1 ) (resid 31 and name hn ) 2.5 2.5 0.0 assign (resid 30 and name hb2 ) (resid 31 and name hn ) 4.5 4.5 0.0 assign (resid 31 and name hb* ) (resid 32 and name hn ) 3.5 3.5 1.0 assign (resid 32 and name hb* ) (resid 33 and name hn ) 4.5 4.5 1.0 assign (resid 33 and name hb1 ) (resid 34 and name hn ) 5.5 5.5 0.0 assign (resid 33 and name hb2 ) (resid 34 and name hn ) 4.5 4.5 0.0 assign (resid 34 and name hb ) (resid 35 and name hn ) 5.5 5.5 0.0 assign (resid 35 and name hb ) (resid 36 and name hn ) 3.5 3.5 0.0 assign (resid 37 and name hb1 ) (resid 38 and name hn ) 2.5 2.5 0.0 assign (resid 37 and name hb2 ) (resid 38 and name hn ) 4.5 4.5 0.0 assign (resid 38 and name hb ) (resid 39 and name hn ) 5.5 5.5 0.0 assign (resid 39 and name hb* ) (resid 40 and name hn ) 5.5 5.5 0.0 assign (resid 40 and name hb ) (resid 41 and name hn ) 4.5 4.5 0.0 assign (resid 41 and name hb ) (resid 42 and name hn ) 3.5 3.5 0.0 assign (resid 43 and name hb1 ) (resid 44 and name hn ) 4.5 4.5 0.0 assign (resid 43 and name hb2 ) (resid 44 and name hn ) 5.5 5.5 0.0 assign (resid 44 and name hb* ) (resid 45 and name hn ) 4.5 4.5 1.0 assign (resid 45 and name hb ) (resid 46 and name hn ) 3.5 3.5 0.0 assign (resid 46 and name hb* ) (resid 47 and name hn ) 4.5 4.5 1.0 assign (resid 47 and name hb1 ) (resid 48 and name hn ) 4.5 4.5 0.0 assign (resid 47 and name hb2 ) (resid 48 and name hn ) 3.5 3.5 0.0 assign (resid 48 and name hb* ) (resid 49 and name hn ) 5.5 5.5 0.0 assign (resid 49 and name ha ) (resid 50 and name hd1 ) 3.5 3.5 0.0 assign (resid 49 and name ha ) (resid 50 and name hd2 ) 3.5 3.5 0.0 assign (resid 49 and name hb* ) (resid 50 and name hd* ) 3.5 3.5 2.0 assign (resid 50 and name hb2 ) (resid 51 and name hn ) 2.5 2.5 0.0 assign (resid 50 and name hb1 ) (resid 51 and name hn ) 4.5 4.5 0.0 assign (resid 51 and name hb* ) (resid 52 and name hn ) 3.5 3.5 1.0 assign (resid 53 and name hb* ) (resid 54 and name hn ) 4.5 4.5 1.0 assign (resid 55 and name hb1 ) (resid 56 and name hn ) 5.5 5.5 0.0 assign (resid 55 and name hb2 ) (resid 56 and name hn ) 3.5 3.5 0.0 assign (resid 56 and name hb* ) (resid 57 and name hn ) 5.5 5.5 0.0 assign (resid 57 and name hb2 ) (resid 58 and name hn ) 5.5 5.5 0.0 assign (resid 57 and name hb1 ) (resid 58 and name hn ) 4.5 4.5 0.0 assign (resid 58 and name hb ) (resid 59 and name hn ) 4.5 4.5 0.0 assign (resid 59 and name hb* ) (resid 60 and name hn ) 5.5 5.5 0.0 assign (resid 62 and name hb1 ) (resid 63 and name hn ) 5.5 5.5 0.0 assign (resid 62 and name hb2 ) (resid 63 and name hn ) 5.5 5.5 0.0 assign (resid 66 and name hb* ) (resid 67 and name hn ) 4.5 4.5 1.0 assign (resid 67 and name hb* ) (resid 68 and name hn ) 4.5 4.5 1.0 assign (resid 68 and name hb1 ) (resid 69 and name hn ) 4.5 4.5 0.0 assign (resid 68 and name hb2 ) (resid 69 and name hn ) 4.5 4.5 0.0 assign (resid 69 and name hb1 ) (resid 70 and name hn ) 4.5 4.5 0.0 assign (resid 69 and name hb2 ) (resid 70 and name hn ) 4.5 4.5 1.0 assign (resid 70 and name hb* ) (resid 71 and name hn ) 4.5 4.5 1.0 assign (resid 73 and name hb* ) (resid 74 and name hn ) 3.5 3.5 1.0 assign (resid 74 and name hb ) (resid 75 and name hn ) 5.5 5.5 0.0 assign (resid 75 and name hb ) (resid 76 and name hn ) 5.5 5.5 0.0 assign (resid 76 and name hb ) (resid 77 and name hn ) 3.5 3.5 0.0 assign (resid 77 and name hb1 ) (resid 78 and name hn ) 5.5 5.5 0.0 assign (resid 77 and name hb2 ) (resid 78 and name hn ) 5.5 5.5 0.0 assign (resid 78 and name hb* ) (resid 79 and name hn ) 3.5 3.5 1.0 assign (resid 79 and name hb ) (resid 80 and name hn ) 4.5 4.5 0.0 assign (resid 80 and name hb* ) (resid 81 and name hn ) 3.5 3.5 1.0 assign (resid 81 and name hb* ) (resid 82 and name hn ) 3.5 3.5 1.0 assign (resid 82 and name hb ) (resid 83 and name hn ) 3.5 3.5 0.0 assign (resid 83 and name hb1 ) (resid 84 and name hn ) 5.5 5.5 0.0 assign (resid 83 and name hb2 ) (resid 84 and name hn ) 3.5 3.5 0.0 assign (resid 84 and name hb* ) (resid 85 and name hn ) 3.5 3.5 1.0 assign (resid 85 and name hb1 ) (resid 86 and name hn ) 3.5 3.5 0.0 assign (resid 85 and name hb2 ) (resid 86 and name hn ) 4.5 4.5 0.0 assign (resid 86 and name hb* ) (resid 87 and name hn ) 3.5 3.5 1.0 assign (resid 88 and name hb* ) (resid 89 and name hn ) 4.5 4.5 1.0 assign (resid 91 and name hb* ) (resid 92 and name hn ) 4.5 4.5 1.0 assign (resid 93 and name hb* ) (resid 94 and name hn ) 4.5 4.5 1.0 assign (resid 95 and name hb ) (resid 96 and name hn ) 5.5 5.5 0.0 assign (resid 97 and name hb* ) (resid 98 and name hn ) 5.5 5.5 0.0 assign (resid 100 and name hb* ) (resid 101 and name hn ) 3.5 3.5 1.0 assign (resid 102 and name hb ) (resid 103 and name hn ) 3.5 3.5 0.0 assign (resid 103 and name hb1 ) (resid 104 and name hn ) 4.5 4.5 0.0 assign (resid 103 and name hb2 ) (resid 104 and name hn ) 3.5 3.5 0.0 assign (resid 104 and name hb ) (resid 105 and name hn ) 3.5 3.5 0.5 assign (resid 105 and name hb* ) (resid 106 and name hn ) 3.5 3.5 1.0 assign (resid 106 and name hb1 ) (resid 107 and name hn ) 5.5 5.5 0.0 assign (resid 106 and name hb2 ) (resid 107 and name hn ) 5.5 5.5 0.0 assign (resid 107 and name hb* ) (resid 108 and name hn ) 4.5 4.5 1.0 assign (resid 108 and name hb1 ) (resid 109 and name hn ) 5.5 5.5 0.0 assign (resid 108 and name hb2 ) (resid 109 and name hn ) 4.5 4.5 0.0 assign (resid 109 and name hb* ) (resid 110 and name hn ) 5.5 5.5 1.0 assign (resid 110 and name hb ) (resid 111 and name hn ) 4.5 4.5 0.0 assign (resid 111 and name hb1 ) (resid 112 and name hn ) 4.5 4.5 0.0 assign (resid 111 and name hb2 ) (resid 112 and name hn ) 4.5 4.5 0.0 assign (resid 112 and name hb ) (resid 113 and name hn ) 4.5 4.5 0.0 assign (resid 113 and name hb1 ) (resid 114 and name hn ) 5.5 5.5 0.0 assign (resid 113 and name hb2 ) (resid 114 and name hn ) 5.5 5.5 0.0 assign (resid 114 and name hb1 ) (resid 115 and name hn ) 5.5 5.5 0.0 assign (resid 114 and name hb2 ) (resid 115 and name hn ) 5.5 5.5 0.0 assign (resid 115 and name hb ) (resid 116 and name hn ) 4.5 4.5 0.0 assign (resid 116 and name hb ) (resid 117 and name hn ) 4.5 4.5 0.0 assign (resid 118 and name hb1 ) (resid 119 and name hn ) 3.5 3.5 0.0 assign (resid 118 and name hb2 ) (resid 119 and name hn ) 4.5 4.5 0.0 assign (resid 119 and name hb* ) (resid 120 and name hn ) 3.5 3.5 1.0 assign (resid 121 and name hb* ) (resid 122 and name hn ) 5.5 5.5 0.0 assign (resid 123 and name hb* ) (resid 124 and name hn ) 4.5 4.5 1.0 assign (resid 125 and name hb1 ) (resid 126 and name hn ) 5.5 5.5 0.0 assign (resid 125 and name hb2 ) (resid 126 and name hn ) 4.5 4.5 0.0 assign (resid 126 and name hb ) (resid 127 and name hn ) 5.5 5.5 0.0 assign (resid 127 and name hb1 ) (resid 128 and name hn ) 3.5 3.5 0.0 assign (resid 127 and name hb2 ) (resid 128 and name hn ) 4.5 4.5 0.0 assign (resid 128 and name hb1 ) (resid 129 and name hn ) 5.5 5.5 0.0 assign (resid 128 and name hb2 ) (resid 129 and name hn ) 5.5 5.5 0.0 assign (resid 130 and name hb* ) (resid 131 and name hn ) 4.5 4.5 1.0 assign (resid 131 and name hb1 ) (resid 132 and name hn ) 3.5 3.5 0.0 assign (resid 131 and name hb2 ) (resid 132 and name hn ) 5.5 5.5 0.0 assign (resid 132 and name hb* ) (resid 133 and name hn ) 5.5 5.5 0.0 assign (resid 133 and name hb1 ) (resid 134 and name hn ) 5.5 5.5 0.0 assign (resid 133 and name hb2 ) (resid 134 and name hn ) 3.5 3.5 0.0 assign (resid 134 and name hb* ) (resid 135 and name hn ) 3.5 3.5 1.0 assign (resid 135 and name hb* ) (resid 136 and name hn ) 5.5 5.5 0.0 assign (resid 136 and name hb1 ) (resid 137 and name hn ) 3.5 3.5 0.0 assign (resid 136 and name hb2 ) (resid 137 and name hn ) 4.5 4.5 0.0 assign (resid 137 and name hb ) (resid 138 and name hn ) 4.5 4.5 0.0 assign (resid 139 and name hb ) (resid 140 and name hn ) 4.5 4.5 0.0 assign (resid 140 and name hb* ) (resid 141 and name hn ) 4.5 4.5 1.0 assign (resid 143 and name hb ) (resid 144 and name hn ) 4.5 4.5 0.0 assign (resid 144 and name hb ) (resid 145 and name hn ) 4.5 4.5 0.0 assign (resid 145 and name hb* ) (resid 146 and name hn ) 3.5 3.5 1.0 assign (resid 147 and name hb ) (resid 148 and name hn ) 4.5 4.5 0.0 assign (resid 149 and name hb* ) (resid 150 and name hn ) 3.5 3.5 1.0 assign (resid 150 and name hb* ) (resid 151 and name hn ) 3.5 3.5 1.0 assign (resid 151 and name hb* ) (resid 152 and name hn ) 3.5 3.5 1.0 assign (resid 152 and name hb ) (resid 153 and name hn ) 5.5 5.5 0.0 assign (resid 153 and name hb1 ) (resid 154 and name hn ) 5.5 5.5 0.0 assign (resid 153 and name hb2 ) (resid 154 and name hn ) 3.5 3.5 0.0 assign (resid 154 and name hb ) (resid 155 and name hn ) 5.5 5.5 0.0 assign (resid 155 and name hb* ) (resid 156 and name hn ) 5.5 5.5 0.0 assign (resid 157 and name hb ) (resid 158 and name hn ) 5.5 5.5 0.0 assign (resid 158 and name hb1 ) (resid 159 and name hn ) 3.5 3.5 0.0 assign (resid 158 and name hb2 ) (resid 159 and name hn ) 5.5 5.5 0.0 assign (resid 159 and name hb1 ) (resid 160 and name hn ) 4.5 4.5 0.0 assign (resid 159 and name hb2 ) (resid 160 and name hn ) 5.5 5.5 0.0 assign (resid 161 and name hb* ) (resid 162 and name hn ) 3.5 3.5 1.0 !nh(i)-ha(i+1) or hb(i+1) assign (resid 8 and name hn ) (resid 9 and name ha ) 5.5 5.5 1.0 assign (resid 70 and name hn ) (resid 71 and name ha ) 5.5 5.5 0.0 assign (resid 77 and name hn ) (resid 78 and name ha ) 5.5 5.5 0.0 assign (resid 79 and name hn ) (resid 80 and name hb* ) 5.5 5.5 0.0 assign (resid 80 and name hn ) (resid 81 and name hb* ) 5.5 5.5 0.0 assign (resid 86 and name hn ) (resid 87 and name hb* ) 4.5 4.5 1.0 assign (resid 106 and name hn ) (resid 107 and name hb* ) 5.5 5.5 1.0 assign (resid 108 and name hn ) (resid 109 and name hb* ) 5.5 5.5 1.0 assign (resid 111 and name hn ) (resid 112 and name hb ) 5.5 5.5 0.0 !other sequential noes assign (resid 1 and name hg2*) (resid 2 and name hn ) 4.5 4.5 1.0 assign (resid 4 and name hn ) (resid 5 and name he3 ) 3.5 3.5 0.0 assign (resid 4 and name hd1*) (resid 5 and name hn ) 3.5 3.5 1.0 assign (resid 4 and name ha ) (resid 5 and name he3 ) 3.5 3.5 0.0 assign (resid 4 and name hg ) (resid 5 and name hn ) 4.5 4.5 0.0 assign (resid 5 and name hd1 ) (resid 6 and name hn ) 4.5 4.5 0.0 assign (resid 7 and name he2*) (resid 8 and name hn ) 5.5 5.5 1.0 assign (resid 12 and name hd2*) (resid 13 and name hn ) 4.5 4.5 1.0 assign (resid 12 and name hd1*) (resid 13 and name hn ) 4.5 4.5 1.0 assign (resid 12 and name hg ) (resid 13 and name hn ) 3.5 3.5 0.0 assign (resid 12 and name hg ) (resid 13 and name ha ) 5.5 5.5 0.0 assign (resid 13 and name ha ) (resid 14 and name ha* ) 5.5 5.5 1.0 assign (resid 17 and name ha* ) (resid 18 and name hd2 ) 4.5 4.5 1.0 assign (resid 20 and name hb* ) (resid 21 and name he3 ) 3.5 3.5 1.0 assign (resid 20 and name hg* ) (resid 21 and name he3 ) 4.5 4.5 1.0 assign (resid 20 and name hg* ) (resid 21 and name hz3 ) 3.5 3.5 1.0 assign (resid 20 and name hd* ) (resid 21 and name hn ) 3.5 3.5 1.0 assign (resid 21 and name hd1 ) (resid 22 and name ha ) 4.5 4.5 0.0 assign (resid 23 and name ha ) (resid 24 and name hd1 ) 2.5 2.5 0.5 assign (resid 23 and name ha ) (resid 24 and name hd2 ) 2.5 2.5 0.5 assign (resid 34 and name hg2*) (resid 35 and name hn ) 4.5 4.5 1.0 assign (resid 38 and name hg2*) (resid 39 and name hn ) 3.5 3.5 1.0 assign (resid 40 and name hg1*) (resid 41 and name ha ) 4.5 4.5 1.0 assign (resid 40 and name hg1*) (resid 41 and name hn ) 3.5 3.5 1.0 assign (resid 41 and name hg1*) (resid 42 and name hn ) 4.5 4.5 1.0 assign (resid 41 and name hg2*) (resid 42 and name hn ) 4.5 4.5 1.0 assign (resid 44 and name hg* ) (resid 45 and name hn ) 5.5 5.5 0.0 assign (resid 45 and name hg2*) (resid 46 and name hn ) 4.5 4.5 1.0 assign (resid 47 and name hg* ) (resid 48 and name hn ) 5.5 5.5 0.0 assign (resid 50 and name hg* ) (resid 51 and name hn ) 4.5 4.5 1.0 assign (resid 50 and name hd* ) (resid 51 and name hn ) 3.5 3.5 1.0 assign (resid 52 and name ha ) (resid 53 and name ha ) 3.5 3.5 0.0 assign (resid 54 and name ha ) (resid 55 and name hd1 ) 2.5 2.5 0.5 assign (resid 54 and name ha ) (resid 55 and name hd2 ) 2.5 2.5 0.5 assign (resid 54 and name hd2*) (resid 55 and name hd1 ) 4.5 4.5 0.5 assign (resid 54 and name hd2*) (resid 55 and name hd2 ) 4.5 4.5 0.5 assign (resid 56 and name hg* ) (resid 57 and name hn ) 4.5 4.5 1.0 assign (resid 58 and name hg2*) (resid 59 and name hn ) 3.5 3.5 1.0 assign (resid 59 and name ha ) (resid 60 and name hg2*) 4.5 4.5 1.0 assign (resid 60 and name hg1*) (resid 61 and name hn ) 3.5 3.5 1.0 assign (resid 61 and name hg1*) (resid 62 and name hn ) 3.5 3.5 1.0 assign (resid 62 and name hd2*) (resid 63 and name hn ) 5.5 5.5 1.0 assign (resid 62 and name hd1*) (resid 63 and name hn ) 3.5 3.5 1.0 assign (resid 62 and name hg ) (resid 63 and name hn ) 3.5 3.5 0.0 assign (resid 74 and name hg1*) (resid 75 and name hn ) 4.5 4.5 1.0 assign (resid 75 and name hg1*) (resid 76 and name hn ) 3.5 3.5 1.0 assign (resid 76 and name ha ) (resid 77 and name hd2 ) 4.5 4.5 0.0 assign (resid 76 and name hg1*) (resid 77 and name hn ) 4.5 4.5 1.0 assign (resid 76 and name hg2*) (resid 77 and name hn ) 4.5 4.5 1.0 assign (resid 81 and name hn ) (resid 82 and name hg2*) 4.5 4.5 1.0 assign (resid 82 and name hg1*) (resid 83 and name hn ) 4.5 4.5 1.0 assign (resid 82 and name hg2*) (resid 83 and name hn ) 4.5 4.5 1.0 assign (resid 88 and name hn ) (resid 89 and name hd2 ) 5.5 5.5 0.0 assign (resid 88 and name ha ) (resid 89 and name hd2 ) 5.5 5.5 0.0 assign (resid 88 and name hb* ) (resid 89 and name hd2 ) 2.5 2.5 1.0 assign (resid 88 and name hg* ) (resid 89 and name hd2 ) 5.5 5.5 1.0 assign (resid 90 and name hd* ) (resid 91 and name hn ) 2.5 2.5 1.0 assign (resid 92 and name hg* ) (resid 93 and name hn ) 4.5 4.5 1.0 assign (resid 96 and name hg2*) (resid 97 and name hn ) 3.5 3.5 1.0 assign (resid 96 and name hd1*) (resid 97 and name hn ) 4.5 4.5 1.0 assign (resid 102 and name hg2*) (resid 103 and name hn ) 4.5 4.5 0.5 assign (resid 107 and name hg* ) (resid 108 and name hn ) 4.5 4.5 1.0 assign (resid 110 and name hg2*) (resid 111 and name hn ) 4.5 4.5 1.0 assign (resid 112 and name ha ) (resid 113 and name hg ) 4.5 4.5 0.0 assign (resid 112 and name hg2*) (resid 113 and name hn ) 4.5 4.5 1.0 assign (resid 116 and name hg2*) (resid 117 and name hn ) 3.5 3.5 1.0 assign (resid 118 and name hg ) (resid 119 and name hn ) 5.5 5.5 0.0 assign (resid 123 and name hg* ) (resid 124 and name hn ) 4.5 4.5 1.0 assign (resid 126 and name hg2*) (resid 127 and name hn ) 4.5 4.5 1.0 assign (resid 128 and name he* ) (resid 129 and name hn ) 4.5 4.5 1.0 assign (resid 128 and name hg* ) (resid 129 and name hn ) 4.5 4.5 1.0 assign (resid 128 and name he* ) (resid 129 and name hd1*) 3.5 3.5 2.0 assign (resid 128 and name he* ) (resid 129 and name hg11) 3.5 3.5 1.0 assign (resid 128 and name he* ) (resid 129 and name hg12) 3.5 3.5 1.0 assign (resid 131 and name hg ) (resid 132 and name hn ) 5.5 5.5 0.0 assign (resid 132 and name ha ) (resid 133 and name hd1 ) 5.5 5.5 0.0 assign (resid 133 and name hd1 ) (resid 134 and name hn ) 4.5 4.5 0.5 assign (resid 137 and name hg2*) (resid 138 and name hn ) 3.5 3.5 1.0 assign (resid 138 and name hg* ) (resid 139 and name hn ) 4.5 4.5 1.0 assign (resid 147 and name hg2*) (resid 148 and name hn ) 4.5 4.5 1.0 assign (resid 148 and name ha ) (resid 149 and name hd* ) 2.5 2.5 1.0 assign (resid 152 and name hg2*) (resid 153 and name hn ) 3.5 3.5 1.0 assign (resid 152 and name ha ) (resid 153 and name he1 ) 5.5 5.5 1.0 assign (resid 154 and name hg2*) (resid 155 and name hn ) 3.5 3.5 1.0 assign (resid 154 and name hg2*) (resid 155 and name ha ) 5.5 5.5 1.0 assign (resid 157 and name ha ) (resid 158 and name hd1 ) 3.5 3.5 0.0 ! intraresidue noes assign (resid 3 and name ha ) (resid 3 and name hd* ) 2.5 2.5 1.0 assign (resid 3 and name hn ) (resid 3 and name hd* ) 4.5 4.5 0.0 assign (resid 3 and name hd* ) (resid 3 and name hb1 ) 3.5 3.5 0.0 assign (resid 3 and name hd* ) (resid 3 and name hb2 ) 3.5 3.5 0.0 assign (resid 19 and name ha ) (resid 19 and name hd* ) 2.5 2.5 0.5 assign (resid 29 and name hd* ) (resid 29 and name ha ) 3.5 3.5 0.0 assign (resid 29 and name hd* ) (resid 29 and name hb* ) 3.5 3.5 0.0 assign (resid 30 and name hd* ) (resid 30 and name ha ) 3.5 3.5 0.0 assign (resid 30 and name hd* ) (resid 30 and name hb1 ) 2.5 2.5 0.5 assign (resid 30 and name hd* ) (resid 30 and name hb2 ) 2.5 2.5 0.5 assign (resid 35 and name hg* ) (resid 35 and name hn ) 3.5 3.5 0.0 assign (resid 35 and name hg* ) (resid 35 and name ha ) 3.5 3.5 0.0 assign (resid 39 and name hb* ) (resid 39 and name he* ) 3.5 3.5 1.0 assign (resid 46 and name hd* ) (resid 46 and name ha ) 2.5 2.5 0.0 assign (resid 46 and name hd* ) (resid 46 and name hb* ) 3.5 3.5 0.0 assign (resid 46 and name hn ) (resid 46 and name hd* ) 5.5 5.5 0.0 assign (resid 49 and name hd* ) (resid 49 and name ha ) 2.5 2.5 0.5 assign (resid 68 and name hd* ) (resid 68 and name ha ) 3.5 3.5 0.0 assign (resid 68 and name hd* ) (resid 68 and name hb1 ) 2.5 2.5 0.5 assign (resid 68 and name hd* ) (resid 68 and name hb2 ) 3.5 3.5 0.5 assign (resid 68 and name hd* ) (resid 68 and name hn ) 5.5 5.5 0.0 assign (resid 79 and name hg* ) (resid 79 and name hn ) 2.5 2.5 1.0 assign (resid 79 and name hg* ) (resid 79 and name ha ) 2.5 2.5 1.0 assign (resid 83 and name hd* ) (resid 83 and name ha ) 3.5 3.5 0.0 assign (resid 83 and name hd* ) (resid 83 and name hn ) 4.5 4.5 0.0 assign (resid 85 and name hd* ) (resid 85 and name ha ) 3.5 3.5 0.0 assign (resid 85 and name hd* ) (resid 85 and name hb* ) 3.5 3.5 0.0 assign (resid 85 and name hd* ) (resid 85 and name hn ) 4.5 4.5 0.5 assign (resid 85 and name he* ) (resid 85 and name ha ) 5.5 5.5 0.0 assign (resid 94 and name hd* ) (resid 94 and name hn ) 5.5 5.5 0.0 assign (resid 94 and name hd* ) (resid 94 and name ha ) 3.5 3.5 0.0 assign (resid 95 and name hg* ) (resid 95 and name hn ) 4.5 4.5 0.0 assign (resid 95 and name hg* ) (resid 95 and name ha ) 4.5 4.5 0.0 assign (resid 102 and name hg1*) (resid 102 and name ha ) 3.5 3.5 0.0 assign (resid 103 and name hd* ) (resid 103 and name ha ) 4.5 4.5 0.0 assign (resid 106 and name hd* ) (resid 106 and name ha ) 3.5 3.5 0.0 assign (resid 106 and name hd* ) (resid 106 and name hn ) 3.5 3.5 0.5 assign (resid 106 and name he* ) (resid 106 and name hn ) 5.5 5.5 0.0 assign (resid 110 and name hg* ) (resid 110 and name hn ) 3.5 3.5 0.0 assign (resid 110 and name hg* ) (resid 110 and name ha ) 3.5 3.5 0.0 assign (resid 115 and name hg* ) (resid 115 and name ha ) 3.5 3.5 0.0 assign (resid 115 and name hg* ) (resid 115 and name hn ) 3.5 3.5 0.0 assign (resid 117 and name ha ) (resid 118 and name hd1*) 4.5 4.5 1.0 assign (resid 122 and name hd* ) (resid 122 and name ha ) 3.5 3.5 0.0 assign (resid 136 and name hd* ) (resid 136 and name ha ) 3.5 3.5 0.0 assign (resid 136 and name hn ) (resid 136 and name hd* ) 4.5 4.5 0.0 assign (resid 139 and name hg* ) (resid 139 and name hn ) 3.5 3.5 0.0 assign (resid 155 and name hb1 ) (resid 155 and name hd* ) 3.5 3.5 0.0 assign (resid 155 and name hb2 ) (resid 155 and name hd* ) 3.5 3.5 0.0 assign (resid 155 and name hd* ) (resid 155 and name ha ) 3.5 3.5 0.0 assign (resid 155 and name hd* ) (resid 155 and name hn ) 4.5 4.5 0.0 assign (resid 157 and name hg* ) (resid 157 and name hn ) 3.5 3.5 0.0 assign (resid 157 and name hg* ) (resid 157 and name ha ) 3.5 3.5 0.0 assign (resid 1 and name hg2*) (resid 1 and name ha ) 3.5 3.5 0.0 assign (resid 2 and name hb* ) (resid 2 and name ha ) 2.5 2.5 1.0 assign (resid 3 and name hb1 ) (resid 3 and name hn ) 4.5 4.5 0.0 assign (resid 3 and name hb2 ) (resid 3 and name hn ) 3.5 3.5 0.0 assign (resid 4 and name ha ) (resid 4 and name hd1*) 2.5 2.5 1.0 assign (resid 4 and name ha ) (resid 4 and name hd2*) 5.5 5.5 1.0 assign (resid 4 and name ha ) (resid 4 and name hg ) 4.5 4.5 0.0 assign (resid 4 and name hb1 ) (resid 4 and name hn ) 3.5 3.5 0.0 assign (resid 4 and name hb2 ) (resid 4 and name hn ) 4.5 4.5 0.0 assign (resid 4 and name hd2*) (resid 4 and name hb1 ) 4.5 4.5 1.0 assign (resid 4 and name hd2*) (resid 4 and name hb2 ) 4.5 4.5 1.0 assign (resid 5 and name hn ) (resid 5 and name hb* ) 4.5 4.5 0.0 assign (resid 5 and name hn ) (resid 5 and name he3 ) 3.5 3.5 0.0 assign (resid 5 and name ha ) (resid 5 and name he3 ) 5.5 5.5 0.0 assign (resid 5 and name hd1 ) (resid 5 and name hb* ) 3.5 3.5 1.0 assign (resid 5 and name he3 ) (resid 5 and name hb* ) 3.5 3.5 1.0 assign (resid 6 and name hb* ) (resid 6 and name hn ) 3.5 3.5 1.0 assign (resid 7 and name ha ) (resid 7 and name hn ) 3.5 3.5 0.0 assign (resid 7 and name hb1 ) (resid 7 and name hn ) 3.5 3.5 0.0 assign (resid 7 and name hb2 ) (resid 7 and name hn ) 5.5 5.5 0.0 assign (resid 7 and name hb* ) (resid 7 and name he2*) 4.5 4.5 2.0 assign (resid 8 and name hb1 ) (resid 8 and name hn ) 3.5 3.5 0.0 assign (resid 8 and name hb2 ) (resid 8 and name hn ) 5.5 5.5 0.0 assign (resid 9 and name hb1 ) (resid 9 and name hn ) 3.5 3.5 0.0 assign (resid 9 and name hb2 ) (resid 9 and name hn ) 4.5 4.5 0.0 assign (resid 9 and name hg* ) (resid 9 and name hn ) 3.5 3.5 1.0 assign (resid 9 and name hd* ) (resid 9 and name hn ) 5.5 5.5 1.0 assign (resid 10 and name hb1 ) (resid 10 and name hn ) 4.5 4.5 0.0 assign (resid 10 and name hb2 ) (resid 10 and name hn ) 2.5 2.5 0.5 assign (resid 12 and name hb1 ) (resid 12 and name hn ) 3.5 3.5 0.0 assign (resid 12 and name hb2 ) (resid 12 and name hn ) 3.5 3.5 0.0 assign (resid 12 and name hd1*) (resid 12 and name ha ) 3.5 3.5 1.0 assign (resid 12 and name hd2*) (resid 12 and name ha ) 4.5 4.5 1.0 assign (resid 13 and name hg2*) (resid 13 and name ha ) 3.5 3.5 1.0 assign (resid 13 and name hd1*) (resid 13 and name hb ) 3.5 3.5 1.0 assign (resid 15 and name hb1 ) (resid 15 and name hn ) 3.5 3.5 0.0 assign (resid 15 and name hb2 ) (resid 15 and name hn ) 4.5 4.5 0.0 assign (resid 16 and name hb2 ) (resid 16 and name hn ) 3.5 3.5 0.0 assign (resid 16 and name hb1 ) (resid 16 and name hn ) 4.5 4.5 0.0 assign (resid 18 and name ha ) (resid 18 and name hd2 ) 5.5 5.5 0.0 assign (resid 18 and name hb* ) (resid 18 and name hd2 ) 4.5 4.5 1.0 assign (resid 19 and name ha ) (resid 19 and name hg ) 2.5 2.5 0.5 assign (resid 21 and name hb1 ) (resid 21 and name hn ) 4.5 4.5 0.0 assign (resid 21 and name hb2 ) (resid 21 and name hn ) 5.5 5.5 0.0 assign (resid 21 and name hd1 ) (resid 21 and name hb1 ) 4.5 4.5 0.0 assign (resid 21 and name hd1 ) (resid 21 and name hb2 ) 3.5 3.5 0.0 assign (resid 21 and name he3 ) (resid 21 and name hb1 ) 3.5 3.5 0.0 assign (resid 21 and name he3 ) (resid 21 and name hb2 ) 4.5 4.5 0.0 assign (resid 22 and name hb1 ) (resid 22 and name hn ) 3.5 3.5 0.0 assign (resid 22 and name hb2 ) (resid 22 and name hn ) 5.5 5.5 0.0 assign (resid 22 and name hb1 ) (resid 22 and name hd2 ) 3.5 3.5 0.0 assign (resid 22 and name hb2 ) (resid 22 and name hd2 ) 4.5 4.5 0.0 assign (resid 23 and name hb1 ) (resid 23 and name hn ) 4.5 4.5 0.0 assign (resid 23 and name hb2 ) (resid 23 and name hn ) 4.5 4.5 0.0 assign (resid 23 and name hd1*) (resid 23 and name ha ) 2.5 2.5 1.0 assign (resid 23 and name hd2*) (resid 23 and name ha ) 5.5 5.5 1.0 assign (resid 25 and name hb1 ) (resid 25 and name hn ) 4.5 4.5 0.0 assign (resid 25 and name hb2 ) (resid 25 and name hn ) 3.5 3.5 0.0 assign (resid 26 and name hb1 ) (resid 26 and name hn ) 2.5 2.5 0.5 assign (resid 26 and name hb2 ) (resid 26 and name hn ) 3.5 3.5 0.0 assign (resid 27 and name hb1 ) (resid 27 and name hn ) 4.5 4.5 0.0 assign (resid 27 and name hb2 ) (resid 27 and name hn ) 2.5 2.5 0.0 assign (resid 27 and name hd1*) (resid 27 and name ha ) 5.5 5.5 1.0 assign (resid 27 and name hd2*) (resid 27 and name ha ) 2.5 2.5 1.0 assign (resid 27 and name hd1*) (resid 27 and name hn ) 4.5 4.5 1.0 assign (resid 27 and name hd2*) (resid 27 and name hn ) 4.5 4.5 1.0 assign (resid 28 and name hb* ) (resid 28 and name hn ) 3.5 3.5 1.0 assign (resid 28 and name hd2 ) (resid 28 and name ha ) 5.5 5.5 0.0 assign (resid 28 and name hd2 ) (resid 28 and name hb* ) 4.5 4.5 1.0 assign (resid 29 and name hb1 ) (resid 29 and name hn ) 4.5 4.5 0.0 assign (resid 29 and name hb2 ) (resid 29 and name hn ) 3.5 3.5 0.0 assign (resid 30 and name hb1 ) (resid 30 and name hn ) 3.5 3.5 0.0 assign (resid 30 and name hb2 ) (resid 30 and name hn ) 3.5 3.5 0.0 assign (resid 30 and name hb* ) (resid 30 and name hn ) 2.5 2.5 1.0 assign (resid 31 and name ha ) (resid 31 and name hg* ) 3.5 3.5 1.0 assign (resid 32 and name hb* ) (resid 32 and name ha ) 2.5 2.5 1.0 assign (resid 33 and name hb1 ) (resid 33 and name hn ) 4.5 4.5 0.0 assign (resid 33 and name hb2 ) (resid 33 and name hn ) 2.5 2.5 0.0 assign (resid 33 and name hg* ) (resid 33 and name hn ) 3.5 3.5 1.0 assign (resid 34 and name hb ) (resid 34 and name hn ) 4.5 4.5 0.0 assign (resid 34 and name hg2*) (resid 34 and name hn ) 3.5 3.5 1.0 assign (resid 34 and name hg2*) (resid 34 and name ha ) 3.5 3.5 1.0 assign (resid 37 and name hb1 ) (resid 37 and name hn ) 4.5 4.5 0.0 assign (resid 37 and name hb2 ) (resid 37 and name hn ) 3.5 3.5 0.0 assign (resid 38 and name hb ) (resid 38 and name hn ) 3.5 3.5 0.0 assign (resid 38 and name hg2*) (resid 38 and name hn ) 4.5 4.5 1.0 assign (resid 39 and name ha ) (resid 39 and name hg* ) 4.5 4.5 1.0 assign (resid 39 and name hb1 ) (resid 39 and name hn ) 4.5 4.5 0.0 assign (resid 39 and name hb2 ) (resid 39 and name hn ) 4.5 4.5 0.0 assign (resid 40 and name hb ) (resid 40 and name hn ) 3.5 3.5 0.0 assign (resid 40 and name hg1*) (resid 40 and name hn ) 4.5 4.5 1.0 assign (resid 40 and name hg2*) (resid 40 and name hn ) 3.5 3.5 1.0 assign (resid 40 and name hg1*) (resid 40 and name ha ) 3.5 3.5 1.0 assign (resid 40 and name hg2*) (resid 40 and name ha ) 3.5 3.5 1.0 assign (resid 41 and name hg1*) (resid 41 and name hn ) 4.5 4.5 1.0 assign (resid 41 and name hg2*) (resid 41 and name hn ) 3.5 3.5 1.0 assign (resid 41 and name hg1*) (resid 41 and name ha ) 2.5 2.5 1.0 assign (resid 41 and name hg2*) (resid 41 and name ha ) 4.5 4.5 1.0 assign (resid 43 and name hb1 ) (resid 43 and name hn ) 3.5 3.5 0.5 assign (resid 43 and name hb2 ) (resid 43 and name hn ) 5.5 5.5 0.0 assign (resid 44 and name hb* ) (resid 44 and name hn ) 3.5 3.5 1.0 assign (resid 44 and name hn ) (resid 44 and name hd* ) 5.5 5.5 0.0 assign (resid 45 and name hb ) (resid 45 and name hn ) 3.5 3.5 0.0 assign (resid 45 and name hg2*) (resid 45 and name ha ) 3.5 3.5 1.0 assign (resid 46 and name hb* ) (resid 46 and name hn ) 3.5 3.5 1.0 assign (resid 47 and name hb1 ) (resid 47 and name hn ) 4.5 4.5 0.0 assign (resid 47 and name hb2 ) (resid 47 and name hn ) 2.5 2.5 0.0 assign (resid 48 and name hb* ) (resid 48 and name hn ) 3.5 3.5 1.0 assign (resid 49 and name hb* ) (resid 49 and name hn ) 3.5 3.5 1.0 assign (resid 51 and name hb* ) (resid 51 and name hn ) 3.5 3.5 1.0 assign (resid 52 and name hb* ) (resid 52 and name hn ) 4.5 4.5 1.0 assign (resid 54 and name hb1 ) (resid 54 and name hn ) 4.5 4.5 0.0 assign (resid 54 and name hb2 ) (resid 54 and name hn ) 3.5 3.5 0.0 assign (resid 54 and name hd1*) (resid 54 and name hn ) 4.5 4.5 1.0 assign (resid 54 and name hd2*) (resid 54 and name hn ) 4.5 4.5 1.0 assign (resid 54 and name hd1*) (resid 54 and name ha ) 4.5 4.5 1.0 assign (resid 54 and name hd2*) (resid 54 and name ha ) 3.5 3.5 1.0 assign (resid 56 and name hb* ) (resid 56 and name hn ) 4.5 4.5 1.0 assign (resid 57 and name hb1 ) (resid 57 and name hn ) 4.5 4.5 1.0 assign (resid 57 and name hb2 ) (resid 57 and name hn ) 4.5 4.5 1.0 assign (resid 57 and name he ) (resid 57 and name hn ) 4.5 4.5 0.5 assign (resid 58 and name hb ) (resid 58 and name hn ) 4.5 4.5 0.0 assign (resid 58 and name hg2*) (resid 58 and name ha ) 2.5 2.5 1.0 assign (resid 58 and name hg2*) (resid 58 and name hn ) 4.5 4.5 1.0 assign (resid 59 and name hb2 ) (resid 59 and name hn ) 3.5 3.5 0.0 assign (resid 59 and name hb1 ) (resid 59 and name hn ) 4.5 4.5 0.0 assign (resid 59 and name hn ) (resid 59 and name hd2*) 3.5 3.5 1.0 assign (resid 59 and name hd2*) (resid 59 and name ha ) 4.5 4.5 1.0 assign (resid 60 and name hn ) (resid 60 and name hb ) 3.5 3.5 0.0 assign (resid 60 and name hn ) (resid 60 and name hg1*) 4.5 4.5 1.0 assign (resid 60 and name hn ) (resid 60 and name hg2*) 3.5 3.5 1.0 assign (resid 60 and name hg1*) (resid 60 and name ha ) 4.5 4.5 1.0 assign (resid 60 and name hg2*) (resid 60 and name ha ) 3.5 3.5 1.0 assign (resid 61 and name hn ) (resid 61 and name hb ) 3.5 3.5 0.0 assign (resid 61 and name hn ) (resid 61 and name hg1*) 4.5 4.5 1.0 assign (resid 61 and name hn ) (resid 61 and name hg2*) 3.5 3.5 1.0 assign (resid 61 and name hg1*) (resid 61 and name ha ) 3.5 3.5 1.0 assign (resid 61 and name hg2*) (resid 61 and name ha ) 3.5 3.5 1.0 assign (resid 62 and name hb1 ) (resid 62 and name ha ) 3.5 3.5 0.0 assign (resid 62 and name hb2 ) (resid 62 and name ha ) 2.5 2.5 0.5 assign (resid 62 and name hb1 ) (resid 62 and name hn ) 3.5 3.5 0.0 assign (resid 62 and name hb2 ) (resid 62 and name hn ) 3.5 3.5 0.0 assign (resid 62 and name hd1*) (resid 62 and name ha ) 2.5 2.5 1.0 assign (resid 62 and name hd2*) (resid 62 and name ha ) 4.5 4.5 1.0 assign (resid 63 and name hb ) (resid 63 and name hn ) 5.5 5.5 0.0 assign (resid 63 and name hg2*) (resid 63 and name hn ) 3.5 3.5 1.0 assign (resid 63 and name hg2*) (resid 63 and name ha ) 3.5 3.5 1.0 assign (resid 64 and name ha ) (resid 64 and name hd2 ) 4.5 4.5 0.0 assign (resid 64 and name hb1 ) (resid 64 and name hd2 ) 4.5 4.5 0.0 assign (resid 64 and name hb2 ) (resid 64 and name hd2 ) 4.5 4.5 0.0 assign (resid 65 and name ha ) (resid 65 and name hg* ) 5.5 5.5 1.0 assign (resid 65 and name he2*) (resid 65 and name hg* ) 3.5 3.5 2.0 assign (resid 66 and name hb* ) (resid 66 and name hn ) 2.5 2.5 1.0 assign (resid 66 and name hg* ) (resid 66 and name hn ) 3.5 3.5 1.0 assign (resid 67 and name hb1 ) (resid 67 and name hn ) 4.5 4.5 0.0 assign (resid 67 and name hb2 ) (resid 67 and name hn ) 3.5 3.5 0.0 assign (resid 68 and name hb1 ) (resid 68 and name hn ) 3.5 3.5 0.0 assign (resid 68 and name hb2 ) (resid 68 and name hn ) 2.5 2.5 0.5 assign (resid 69 and name hb1 ) (resid 69 and name hn ) 4.5 4.5 0.0 assign (resid 69 and name hb2 ) (resid 69 and name hn ) 2.5 2.5 0.5 assign (resid 69 and name hg* ) (resid 69 and name hn ) 3.5 3.5 1.0 assign (resid 69 and name hg* ) (resid 69 and name he2*) 3.5 3.5 2.0 assign (resid 70 and name hb* ) (resid 70 and name ha ) 3.5 3.5 1.0 assign (resid 73 and name hb* ) (resid 73 and name ha ) 2.5 2.5 1.0 assign (resid 74 and name hb ) (resid 74 and name hn ) 3.5 3.5 0.0 assign (resid 74 and name hg1*) (resid 74 and name hn ) 4.5 4.5 1.0 assign (resid 74 and name hg2*) (resid 74 and name hn ) 3.5 3.5 1.0 assign (resid 74 and name hg1*) (resid 74 and name ha ) 3.5 3.5 1.0 assign (resid 74 and name hg2*) (resid 74 and name ha ) 3.5 3.5 1.0 assign (resid 75 and name hb ) (resid 75 and name hn ) 3.5 3.5 0.0 assign (resid 75 and name hg1*) (resid 75 and name hn ) 5.5 5.5 0.0 assign (resid 75 and name hg2*) (resid 75 and name hn ) 3.5 3.5 1.0 assign (resid 75 and name hg2*) (resid 75 and name ha ) 3.5 3.5 1.0 assign (resid 76 and name hb ) (resid 76 and name hn ) 5.5 5.5 0.0 assign (resid 76 and name hg1*) (resid 76 and name hn ) 4.5 4.5 1.0 assign (resid 76 and name hg2*) (resid 76 and name hn ) 3.5 3.5 1.0 assign (resid 76 and name hg1*) (resid 76 and name ha ) 2.5 2.5 1.0 assign (resid 76 and name hg2*) (resid 76 and name ha ) 5.5 5.5 0.0 assign (resid 77 and name hb1 ) (resid 77 and name hn ) 4.5 4.5 0.0 assign (resid 77 and name hb2 ) (resid 77 and name hn ) 3.5 3.5 0.0 assign (resid 77 and name hd2 ) (resid 77 and name ha ) 4.5 4.5 0.0 assign (resid 77 and name hd2 ) (resid 77 and name hb1 ) 5.5 5.5 0.0 assign (resid 77 and name hd2 ) (resid 77 and name hb2 ) 3.5 3.5 0.0 assign (resid 78 and name hb* ) (resid 78 and name hn ) 4.5 4.5 1.0 assign (resid 79 and name ha ) (resid 79 and name hb ) 3.5 3.5 0.0 assign (resid 79 and name hb ) (resid 79 and name hn ) 3.5 3.5 0.0 assign (resid 80 and name hb* ) (resid 80 and name ha ) 2.5 2.5 1.0 assign (resid 81 and name hb* ) (resid 81 and name ha ) 2.5 2.5 1.0 assign (resid 82 and name hb ) (resid 82 and name hn ) 3.5 3.5 0.0 assign (resid 82 and name hg1*) (resid 82 and name hn ) 4.5 4.5 1.0 assign (resid 82 and name hg2*) (resid 82 and name hn ) 2.5 2.5 1.0 assign (resid 82 and name hg1*) (resid 82 and name ha ) 2.5 2.5 1.0 assign (resid 82 and name hg2*) (resid 82 and name ha ) 2.5 2.5 1.0 assign (resid 83 and name hb1 ) (resid 83 and name hn ) 4.5 4.5 0.0 assign (resid 83 and name hb2 ) (resid 83 and name hn ) 2.5 2.5 0.0 assign (resid 84 and name hb* ) (resid 84 and name ha ) 2.5 2.5 1.0 assign (resid 85 and name hb1 ) (resid 85 and name hn ) 4.0 4.0 0.0 assign (resid 85 and name hb2 ) (resid 85 and name hn ) 3.5 3.5 0.0 assign (resid 86 and name hb* ) (resid 86 and name ha ) 3.5 3.5 1.0 assign (resid 87 and name hb* ) (resid 87 and name ha ) 2.5 2.5 1.0 assign (resid 87 and name hg* ) (resid 87 and name ha ) 4.5 4.5 1.0 assign (resid 88 and name hb* ) (resid 88 and name ha ) 2.5 2.5 1.0 assign (resid 88 and name he2*) (resid 88 and name hg* ) 3.5 3.5 2.0 assign (resid 88 and name he2*) (resid 88 and name ha ) 4.5 4.5 1.0 assign (resid 89 and name hb1 ) (resid 89 and name hn ) 4.5 4.5 0.0 assign (resid 89 and name hb2 ) (resid 89 and name hn ) 3.5 3.5 0.0 assign (resid 89 and name hd2 ) (resid 89 and name ha ) 3.5 3.5 0.0 assign (resid 89 and name hd2 ) (resid 89 and name hn ) 4.5 4.5 0.0 assign (resid 89 and name hb1 ) (resid 89 and name hd2 ) 3.5 3.5 0.5 assign (resid 89 and name hb2 ) (resid 89 and name hd2 ) 5.5 5.5 0.0 assign (resid 91 and name hb* ) (resid 91 and name hn ) 3.5 3.5 1.0 assign (resid 92 and name hb1 ) (resid 92 and name hn ) 4.5 4.5 0.0 assign (resid 92 and name hb2 ) (resid 92 and name hn ) 2.5 2.5 0.0 assign (resid 92 and name hg* ) (resid 92 and name he2*) 3.5 3.5 2.0 assign (resid 93 and name hb1 ) (resid 93 and name hn ) 4.5 4.5 0.0 assign (resid 93 and name hb2 ) (resid 93 and name hn ) 3.5 3.5 0.0 assign (resid 94 and name hb* ) (resid 94 and name hn ) 2.5 2.5 1.0 assign (resid 95 and name hb ) (resid 95 and name hn ) 3.5 3.5 0.0 assign (resid 96 and name hn ) (resid 96 and name hd1*) 3.5 3.5 1.0 assign (resid 96 and name hb ) (resid 96 and name hd1*) 3.5 3.5 1.0 assign (resid 96 and name hd1*) (resid 96 and name ha ) 2.5 2.5 1.0 assign (resid 96 and name hg2*) (resid 96 and name ha ) 3.5 3.5 1.0 assign (resid 96 and name hn ) (resid 96 and name hb ) 3.5 3.5 0.0 assign (resid 96 and name hn ) (resid 96 and name hg1*) 3.5 3.5 1.0 assign (resid 96 and name hn ) (resid 96 and name hg2*) 4.5 4.5 1.0 assign (resid 97 and name hn ) (resid 97 and name hb* ) 3.5 3.5 1.0 assign (resid 101 and name hb1 ) (resid 101 and name hn ) 4.5 4.5 0.0 assign (resid 101 and name hb2 ) (resid 101 and name hn ) 3.5 3.5 0.0 assign (resid 101 and name hg1 ) (resid 101 and name he2*) 3.5 3.5 1.0 assign (resid 101 and name hg2 ) (resid 101 and name he2*) 3.5 3.5 1.0 assign (resid 102 and name hb ) (resid 102 and name hn ) 3.5 3.5 0.0 assign (resid 102 and name hg* ) (resid 102 and name hn ) 3.5 3.5 1.0 assign (resid 102 and name hn ) (resid 102 and name hd1*) 4.5 4.5 1.0 assign (resid 103 and name hb1 ) (resid 103 and name hn ) 4.5 4.5 0.0 assign (resid 103 and name hb2 ) (resid 103 and name hn ) 3.5 3.5 0.0 assign (resid 104 and name hb ) (resid 104 and name hn ) 3.5 3.5 0.0 assign (resid 104 and name hg2*) (resid 104 and name ha ) 3.5 3.5 1.0 assign (resid 104 and name hg2*) (resid 104 and name hn ) 4.5 4.5 1.0 assign (resid 105 and name hb* ) (resid 105 and name hn ) 2.5 2.5 1.0 assign (resid 106 and name hb1 ) (resid 106 and name hn ) 4.5 4.5 0.0 assign (resid 106 and name hb2 ) (resid 106 and name hn ) 2.5 2.5 0.5 assign (resid 107 and name hb* ) (resid 107 and name hn ) 3.5 3.5 1.0 assign (resid 107 and name hg* ) (resid 107 and name hn ) 3.5 3.5 1.0 assign (resid 107 and name hd* ) (resid 107 and name hn ) 4.5 4.5 1.0 assign (resid 108 and name hb1 ) (resid 108 and name hn ) 3.5 3.5 0.0 assign (resid 108 and name hb2 ) (resid 108 and name hn ) 3.5 3.5 0.0 assign (resid 109 and name hb1 ) (resid 109 and name hn ) 4.5 4.5 0.0 assign (resid 109 and name hb2 ) (resid 109 and name hn ) 3.5 3.5 0.0 assign (resid 110 and name ha ) (resid 110 and name hg2*) 3.5 3.5 0.0 assign (resid 110 and name hb ) (resid 110 and name hn ) 3.5 3.5 0.0 assign (resid 111 and name hb1 ) (resid 111 and name hn ) 4.5 4.5 0.0 assign (resid 111 and name hb2 ) (resid 111 and name hn ) 4.5 4.5 0.0 assign (resid 112 and name hb ) (resid 112 and name hn ) 3.5 3.5 0.0 assign (resid 112 and name hg2*) (resid 112 and name hn ) 4.5 4.5 1.0 assign (resid 112 and name hg2*) (resid 112 and name ha ) 2.5 2.5 1.0 assign (resid 113 and name hb* ) (resid 113 and name hn ) 3.5 3.5 1.0 assign (resid 113 and name hd1*) (resid 113 and name ha ) 4.5 4.5 1.0 assign (resid 113 and name hd2*) (resid 113 and name ha ) 3.5 3.5 0.0 assign (resid 113 and name hd1*) (resid 113 and name hn ) 4.5 4.5 1.0 assign (resid 113 and name hd2*) (resid 113 and name hn ) 4.5 4.5 1.0 assign (resid 113 and name hg ) (resid 113 and name hn ) 3.5 3.5 0.0 assign (resid 114 and name hb1 ) (resid 114 and name hn ) 4.5 4.5 0.0 assign (resid 114 and name hb2 ) (resid 114 and name hn ) 3.5 3.5 0.0 assign (resid 114 and name hg ) (resid 114 and name hn ) 3.5 3.5 0.5 assign (resid 114 and name hg ) (resid 114 and name ha ) 3.5 3.5 0.0 assign (resid 114 and name hd1*) (resid 114 and name ha ) 5.5 5.5 1.0 assign (resid 114 and name hd2*) (resid 114 and name ha ) 3.5 3.5 1.0 assign (resid 114 and name hd1*) (resid 114 and name hn ) 4.5 4.5 1.0 assign (resid 114 and name hd2*) (resid 114 and name hn ) 4.5 4.5 1.0 assign (resid 114 and name hd1*) (resid 114 and name hb1 ) 3.5 3.5 0.5 assign (resid 114 and name hd2*) (resid 114 and name hb1 ) 3.5 3.5 0.5 assign (resid 114 and name hd1*) (resid 114 and name hb2 ) 3.5 3.5 0.5 assign (resid 114 and name hd2*) (resid 114 and name hb2 ) 5.5 5.5 0.5 assign (resid 116 and name hb ) (resid 116 and name hn ) 3.5 3.5 0.0 assign (resid 116 and name hg2*) (resid 116 and name hn ) 4.5 4.5 1.0 assign (resid 116 and name hg2*) (resid 116 and name ha ) 2.5 2.5 1.0 assign (resid 116 and name hg2*) (resid 116 and name hg1 ) 2.5 2.5 1.0 assign (resid 117 and name hb1 ) (resid 117 and name hn ) 4.5 4.5 0.0 assign (resid 117 and name hb2 ) (resid 117 and name hn ) 4.5 4.5 0.0 assign (resid 118 and name hb1 ) (resid 118 and name hn ) 4.5 4.5 0.0 assign (resid 118 and name hb2 ) (resid 118 and name hn ) 3.5 3.5 0.0 assign (resid 118 and name hd1*) (resid 118 and name ha ) 3.5 3.5 1.0 assign (resid 118 and name hd2*) (resid 118 and name ha ) 4.5 4.5 1.0 assign (resid 118 and name hd1*) (resid 118 and name hb1 ) 4.5 4.5 1.0 assign (resid 118 and name hd2*) (resid 118 and name hb1 ) 4.5 4.5 1.0 assign (resid 118 and name hd1*) (resid 118 and name hb2 ) 4.5 4.5 1.0 assign (resid 118 and name hd2*) (resid 118 and name hb2 ) 3.5 3.5 1.0 assign (resid 118 and name hd1*) (resid 118 and name hn ) 3.5 3.5 1.0 assign (resid 118 and name hd2*) (resid 118 and name hn ) 5.5 5.5 0.0 assign (resid 119 and name hb* ) (resid 119 and name ha ) 2.5 2.5 1.0 assign (resid 121 and name hb* ) (resid 121 and name hn ) 3.5 3.5 1.0 assign (resid 122 and name hb1 ) (resid 122 and name hn ) 4.5 4.5 0.0 assign (resid 122 and name hb2 ) (resid 122 and name hn ) 3.5 3.5 0.0 assign (resid 123 and name hb* ) (resid 123 and name hn ) 3.5 3.5 1.0 assign (resid 123 and name hg* ) (resid 123 and name hn ) 4.5 4.5 1.0 assign (resid 125 and name hb1 ) (resid 125 and name hn ) 4.5 4.5 0.0 assign (resid 125 and name hb2 ) (resid 125 and name hn ) 4.5 4.5 0.0 assign (resid 126 and name hb ) (resid 126 and name hn ) 3.5 3.5 0.0 assign (resid 126 and name hg2*) (resid 126 and name ha ) 2.5 2.5 1.0 assign (resid 126 and name hg2*) (resid 126 and name hn ) 4.5 4.5 1.0 assign (resid 127 and name hb1 ) (resid 127 and name hn ) 4.5 4.5 0.0 assign (resid 127 and name hb2 ) (resid 127 and name hn ) 3.5 3.5 0.0 assign (resid 128 and name hb1 ) (resid 128 and name hn ) 3.5 3.5 0.0 assign (resid 128 and name hb2 ) (resid 128 and name hn ) 3.5 3.5 0.0 assign (resid 128 and name he* ) (resid 128 and name ha ) 4.5 4.5 1.0 assign (resid 129 and name hb ) (resid 129 and name hn ) 4.5 4.5 0.0 assign (resid 129 and name hg1*) (resid 129 and name hn ) 2.5 2.5 1.0 assign (resid 129 and name hg2*) (resid 129 and name hn ) 3.5 3.5 1.0 assign (resid 129 and name hg2*) (resid 129 and name ha ) 3.5 3.5 1.0 assign (resid 131 and name hb1 ) (resid 131 and name hn ) 4.5 4.5 0.0 assign (resid 131 and name hb2 ) (resid 131 and name hn ) 2.5 2.5 0.0 assign (resid 131 and name hg ) (resid 131 and name hn ) 3.5 3.5 0.0 assign (resid 131 and name hd1*) (resid 131 and name hn ) 4.5 4.5 1.0 assign (resid 131 and name hd2*) (resid 131 and name ha ) 4.5 4.5 1.0 assign (resid 132 and name hb1 ) (resid 132 and name hn ) 3.5 3.5 0.0 assign (resid 132 and name hb2 ) (resid 132 and name hn ) 3.5 3.5 0.0 assign (resid 133 and name hb1 ) (resid 133 and name hn ) 4.5 4.5 0.0 assign (resid 133 and name hb2 ) (resid 133 and name hn ) 3.5 3.5 0.0 assign (resid 133 and name hd1 ) (resid 133 and name hn ) 2.5 2.5 0.0 assign (resid 133 and name hd1 ) (resid 133 and name ha ) 4.5 4.5 0.0 assign (resid 133 and name he3 ) (resid 133 and name ha ) 4.5 4.5 0.0 assign (resid 133 and name he3 ) (resid 133 and name hn ) 5.5 5.5 0.0 assign (resid 133 and name hd1 ) (resid 133 and name hb1 ) 5.5 5.5 0.0 assign (resid 133 and name hd1 ) (resid 133 and name hb2 ) 3.5 3.5 0.0 assign (resid 134 and name hb1 ) (resid 134 and name hn ) 3.5 3.5 0.0 assign (resid 134 and name hb2 ) (resid 134 and name hn ) 2.5 2.5 0.0 assign (resid 136 and name hb1 ) (resid 136 and name hn ) 4.5 4.5 0.0 assign (resid 136 and name hb2 ) (resid 136 and name hn ) 3.5 3.5 0.0 assign (resid 137 and name hg2*) (resid 137 and name hn ) 4.5 4.5 1.0 assign (resid 137 and name hg2*) (resid 137 and name ha ) 3.5 3.5 1.0 assign (resid 137 and name hn ) (resid 137 and name hb ) 3.5 3.5 0.0 assign (resid 138 and name hb1 ) (resid 138 and name hn ) 3.5 3.5 0.0 assign (resid 138 and name hb2 ) (resid 138 and name hn ) 3.5 3.5 0.0 assign (resid 138 and name hg1 ) (resid 138 and name hn ) 5.5 5.5 0.0 assign (resid 138 and name hg2 ) (resid 138 and name hn ) 5.5 5.5 0.0 assign (resid 139 and name hb ) (resid 139 and name hn ) 4.5 4.5 0.0 assign (resid 140 and name hb* ) (resid 140 and name hn ) 4.5 4.5 1.0 assign (resid 141 and name hb1 ) (resid 141 and name hn ) 3.5 3.5 0.0 assign (resid 141 and name hb2 ) (resid 141 and name hn ) 4.5 4.5 0.0 assign (resid 141 and name hb1 ) (resid 141 and name ha ) 3.5 3.5 0.0 assign (resid 141 and name hb2 ) (resid 141 and name ha ) 3.5 3.5 0.0 assign (resid 142 and name hb* ) (resid 142 and name hn ) 3.5 3.5 1.0 assign (resid 142 and name hg* ) (resid 142 and name hn ) 4.5 4.5 1.0 assign (resid 143 and name hb ) (resid 143 and name hn ) 3.5 3.5 0.0 assign (resid 143 and name hg2*) (resid 143 and name ha ) 2.5 2.5 1.0 assign (resid 143 and name hg2*) (resid 143 and name hn ) 4.5 4.5 1.0 assign (resid 144 and name hb ) (resid 144 and name hn ) 3.5 3.5 0.0 assign (resid 144 and name hb ) (resid 144 and name ha ) 3.5 3.5 0.0 assign (resid 144 and name hg1*) (resid 144 and name ha ) 4.5 4.5 1.0 assign (resid 144 and name hg2*) (resid 144 and name ha ) 2.5 2.5 1.0 assign (resid 145 and name hb* ) (resid 145 and name hn ) 2.5 2.5 1.0 assign (resid 145 and name hg* ) (resid 145 and name hn ) 3.5 3.5 1.0 assign (resid 146 and name hb1 ) (resid 146 and name hn ) 3.5 3.5 0.0 assign (resid 146 and name hb2 ) (resid 146 and name hn ) 3.5 3.5 0.0 assign (resid 146 and name hb2 ) (resid 146 and name ha ) 3.5 3.5 0.0 assign (resid 147 and name hb ) (resid 147 and name hn ) 3.5 3.5 1.0 assign (resid 147 and name hg2*) (resid 147 and name hn ) 3.5 3.5 1.0 assign (resid 147 and name hg2*) (resid 147 and name ha ) 3.5 3.5 1.0 assign (resid 148 and name hb1 ) (resid 148 and name hn ) 3.5 3.5 0.0 assign (resid 148 and name hb2 ) (resid 148 and name hn ) 3.5 3.5 0.0 assign (resid 148 and name hb1 ) (resid 148 and name hd2*) 4.5 4.5 1.0 assign (resid 148 and name hb2 ) (resid 148 and name hd2*) 2.5 2.5 1.0 assign (resid 148 and name hb1 ) (resid 148 and name ha ) 3.5 3.5 0.0 assign (resid 148 and name hb2 ) (resid 148 and name ha ) 3.5 3.5 0.0 assign (resid 150 and name hb* ) (resid 150 and name ha ) 2.5 2.5 1.0 assign (resid 151 and name hb1 ) (resid 151 and name hn ) 4.5 4.5 0.0 assign (resid 151 and name hb2 ) (resid 151 and name hn ) 3.5 3.5 0.0 assign (resid 151 and name hg ) (resid 151 and name hn ) 3.5 3.5 0.0 assign (resid 151 and name hd1*) (resid 151 and name hn ) 4.5 4.5 1.0 assign (resid 151 and name hd2*) (resid 151 and name hn ) 4.5 4.5 1.0 assign (resid 151 and name hd1*) (resid 151 and name ha ) 5.5 5.5 1.0 assign (resid 151 and name hd2*) (resid 151 and name ha ) 2.5 2.5 1.0 assign (resid 152 and name hb ) (resid 152 and name hn ) 4.5 4.5 0.0 assign (resid 152 and name hg2*) (resid 152 and name hn ) 4.5 4.5 1.0 assign (resid 152 and name hg2*) (resid 152 and name ha ) 3.5 3.5 1.0 assign (resid 153 and name hb1 ) (resid 153 and name hn ) 4.5 4.5 0.0 assign (resid 153 and name hb2 ) (resid 153 and name hn ) 4.5 4.5 0.0 assign (resid 153 and name hd2 ) (resid 153 and name hb* ) 4.5 4.5 1.0 assign (resid 153 and name hb1 ) (resid 153 and name ha ) 2.5 2.5 0.5 assign (resid 153 and name hb2 ) (resid 153 and name ha ) 2.5 2.5 0.5 assign (resid 154 and name hb ) (resid 154 and name hn ) 3.5 3.5 0.0 assign (resid 154 and name hg2*) (resid 154 and name hn ) 5.5 5.5 0.0 assign (resid 154 and name hg2*) (resid 154 and name ha ) 2.5 2.5 1.0 assign (resid 155 and name hb1 ) (resid 155 and name hn ) 4.5 4.5 0.0 assign (resid 155 and name hb2 ) (resid 155 and name hn ) 3.5 3.5 0.0 assign (resid 156 and name hn ) (resid 156 and name hg* ) 4.5 4.5 1.0 assign (resid 156 and name hb1 ) (resid 156 and name hn ) 4.5 4.5 0.0 assign (resid 156 and name hb2 ) (resid 156 and name hn ) 5.5 5.5 0.0 assign (resid 157 and name hb ) (resid 157 and name hn ) 3.5 3.5 0.0 assign (resid 158 and name hn ) (resid 158 and name hd1 ) 3.5 3.5 0.0 assign (resid 158 and name ha ) (resid 158 and name hd1 ) 5.5 5.5 0.0 assign (resid 158 and name hb1 ) (resid 158 and name hn ) 4.5 4.5 0.0 assign (resid 158 and name hb2 ) (resid 158 and name hn ) 3.5 3.5 0.0 assign (resid 158 and name hb1 ) (resid 158 and name ha ) 3.5 3.5 0.0 assign (resid 158 and name hb2 ) (resid 158 and name ha ) 4.5 4.5 0.0 assign (resid 158 and name hd1 ) (resid 158 and name hb1 ) 5.5 5.5 0.0 assign (resid 158 and name hd1 ) (resid 158 and name hb2 ) 3.5 3.5 0.0 assign (resid 159 and name hb1 ) (resid 159 and name hn ) 4.5 4.5 0.0 assign (resid 159 and name hb2 ) (resid 159 and name hn ) 3.5 3.5 0.0 assign (resid 159 and name hb1 ) (resid 159 and name ha ) 3.5 3.5 0.0 assign (resid 159 and name hb2 ) (resid 159 and name ha ) 3.5 3.5 0.0 assign (resid 159 and name hg* ) (resid 159 and name he2*) 3.5 3.5 2.0 assign (resid 160 and name hb* ) (resid 160 and name hn ) 3.5 3.5 1.0 !intra-tmq noes assign (resid 170 and name hm* ) (resid 170 and name h91 ) 2.5 2.5 0.5 assign (resid 170 and name hm* ) (resid 170 and name h92 ) 2.5 2.5 0.5 assign (resid 170 and name h7 ) (resid 170 and name h91 ) 4.5 4.5 0.0 assign (resid 170 and name h7 ) (resid 170 and name h92 ) 4.5 4.5 0.0 assign (resid 170 and name hp2 ) (resid 170 and name h91 ) 5.5 5.5 0.0 assign (resid 170 and name hp2 ) (resid 170 and name h92 ) 3.5 3.5 0.0 assign (resid 170 and name hp2 ) (resid 170 and name h7 ) 3.5 3.5 0.5 assign (resid 170 and name hp2 ) (resid 170 and name hm* ) 5.5 5.5 1.0 assign (resid 170 and name hp6 ) (resid 170 and name h1n ) 3.5 3.5 0.0 assign (resid 170 and name hw2*) (resid 170 and name h1n ) 5.5 5.5 0.0 assign (resid 170 and name h91 ) (resid 170 and name h1n ) 2.5 2.5 0.0 assign (resid 170 and name h92 ) (resid 170 and name h1n ) 3.5 3.5 0.0 !tmq-dhfr noes assign (resid 170 and name h1 ) (resid 6 and name hb* ) 2.5 2.5 1.0 assign (resid 170 and name h1 ) (resid 26 and name ha ) 5.5 5.5 1.5 assign (resid 170 and name h1 ) (resid 26 and name hb1 ) 5.5 5.5 1.5 assign (resid 170 and name h1 ) (resid 26 and name hb2 ) 5.5 5.5 1.5 assign (resid 170 and name h1 ) (resid 27 and name ha ) 3.5 3.5 1.5 assign (resid 170 and name h1 ) (resid 27 and name hd2*) 3.5 3.5 1.0 assign (resid 170 and name h1 ) (resid 29 and name hb1 ) 5.5 5.5 1.0 assign (resid 170 and name h1 ) (resid 30 and name ha ) 5.5 5.5 1.5 assign (resid 170 and name h1 ) (resid 30 and name hb1 ) 5.5 5.5 1.5 assign (resid 170 and name h1 ) (resid 30 and name hb2 ) 5.5 3.5 1.0 assign (resid 170 and name h1 ) (resid 30 and name hd* ) 4.5 4.5 1.0 assign (resid 170 and name h1 ) (resid 116 and name hg1 ) 5.5 5.5 1.0 assign (resid 170 and name hn2*) (resid 4 and name hg ) 4.5 4.5 1.0 assign (resid 170 and name hn2*) (resid 4 and name hd1*) 3.5 3.5 1.0 assign (resid 170 and name hn2*) (resid 5 and name ha ) 5.5 1.0 1.0 assign (resid 170 and name hn2*) (resid 5 and name hn ) 4.5 4.5 1.0 assign (resid 170 and name hn2*) (resid 6 and name hb* ) 3.5 3.5 1.0 assign (resid 170 and name hn2*) (resid 29 and name hd* ) 4.5 4.5 1.0 assign (resid 170 and name hn2*) (resid 29 and name he* ) 5.5 5.5 1.0 assign (resid 170 and name hn2*) (resid 116 and name hb ) 4.5 4.5 1.0 assign (resid 170 and name hn2*) (resid 116 and name hg1 ) 2.5 2.5 1.0 assign (resid 170 and name hn2*) (resid 116 and name hg2*) 4.5 4.5 1.0 assign (resid 170 and name hn4*) (resid 4 and name hg ) 2.5 2.5 1.0 assign (resid 170 and name hn4*) (resid 5 and name ha ) 2.5 2.5 1.0 assign (resid 170 and name hn4*) (resid 5 and name hb* ) 5.5 5.5 1.0 assign (resid 170 and name hn4*) (resid 30 and name he* ) 3.5 3.5 1.0 assign (resid 170 and name hn4*) (resid 97 and name ha ) 2.5 2.5 1.0 assign (resid 170 and name hn4*) (resid 97 and name hb* ) 3.5 3.5 1.0 assign (resid 170 and name hm* ) (resid 30 and name hd* ) 5.5 5.5 0.0 assign (resid 170 and name hm* ) (resid 30 and name he* ) 3.5 3.5 0.0 assign (resid 170 and name hm* ) (resid 30 and name hz ) 5.5 5.5 0.5 assign (resid 170 and name hm* ) (resid 41 and name hg1*) 5.5 5.5 1.0 assign (resid 170 and name hm* ) (resid 45 and name hg2*) 2.5 2.5 0.5 assign (resid 170 and name hm* ) (resid 49 and name hd* ) 5.5 5.5 0.0 assign (resid 170 and name hm* ) (resid 49 and name he* ) 3.5 3.5 0.5 assign (resid 170 and name hm* ) (resid 49 and name hz ) 3.5 3.5 0.5 assign (resid 170 and name hm* ) (resid 97 and name ha ) 5.5 5.5 0.0 assign (resid 170 and name hm* ) (resid 97 and name hb* ) 2.5 2.5 0.5 assign (resid 170 and name h7 ) (resid 19 and name hg ) 5.5 5.5 0.0 assign (resid 170 and name h7 ) (resid 19 and name hd* ) 3.5 3.5 0.0 assign (resid 170 and name h7 ) (resid 27 and name hg ) 5.5 1.0 2.0 assign (resid 170 and name h7 ) (resid 27 and name hd2*) 2.5 2.5 1.0 assign (resid 170 and name h8 ) (resid 6 and name hb* ) 5.5 5.5 0.0 assign (resid 170 and name h8 ) (resid 19 and name hd* ) 3.5 3.5 0.0 assign (resid 170 and name h8 ) (resid 27 and name ha ) 4.5 4.5 0.0 assign (resid 170 and name h8 ) (resid 27 and name hg ) 5.5 1.5 0.5 assign (resid 170 and name h8 ) (resid 27 and name hd2*) 3.5 3.5 0.0 assign (resid 170 and name h9* ) (resid 19 and name hd* ) 5.5 5.5 0.0 assign (resid 170 and name h9* ) (resid 45 and name hg2*) 5.5 5.5 0.0 assign (resid 170 and name h9* ) (resid 49 and name he* ) 3.5 3.5 0.0 assign (resid 170 and name h1n ) (resid 19 and name hb* ) 5.5 5.5 0.0 assign (resid 170 and name h1n ) (resid 19 and name hg ) 4.5 4.5 0.0 assign (resid 170 and name h1n ) (resid 19 and name hd* ) 5.5 5.5 0.0 assign (resid 170 and name hp2 ) (resid 49 and name hd* ) 4.5 4.5 0.0 assign (resid 170 and name hp2 ) (resid 49 and name he* ) 3.5 3.5 0.0 assign (resid 170 and name hp6 ) (resid 19 and name hg ) 5.5 5.5 0.0 assign (resid 170 and name hp6 ) (resid 19 and name hd* ) 3.5 3.5 1.0 assign (resid 170 and name hp6 ) (resid 19 and name hb* ) 5.5 5.5 0.0 assign (resid 170 and name hp6 ) (resid 27 and name hd2*) 5.5 5.5 0.5 assign (resid 170 and name hw1*) (resid 27 and name hd2*) 4.5 4.5 0.0 assign (resid 170 and name hw1*) (resid 30 and name hd* ) 3.5 3.5 0.0 assign (resid 170 and name hw1*) (resid 30 and name he* ) 5.5 5.5 0.0 assign (resid 170 and name hw1*) (resid 49 and name he* ) 4.5 4.5 0.0 assign (resid 170 and name hw1*) (resid 54 and name hd1*) 3.5 3.5 0.0 assign (resid 170 and name hw1*) (resid 54 and name hd2*) 5.5 5.5 0.0 assign (resid 170 and name hw2*) (resid 18 and name he1 ) 5.5 5.5 1.0 assign (resid 170 and name hw2*) (resid 27 and name hd1*) 3.5 3.5 0.0 assign (resid 170 and name hw2*) (resid 27 and name hd2*) 5.5 5.5 0.0 assign (resid 170 and name hw2*) (resid 50 and name hg* ) 5.5 5.5 1.0 assign (resid 170 and name hi* ) (resid 27 and name hb1 ) 2.5 2.5 1.0 assign (resid 170 and name hi* ) (resid 27 and name hd1*) 2.5 2.5 1.0 assign (resid 170 and name hi* ) (resid 27 and name hd2*) 3.5 3.5 1.0 !Constraints for Asp-26 - TMQ interaction assign (resid 170 and name h1 ) (resid 26 and name od1) 2.00 0.40 0.40 assign (resid 170 and name n1) (resid 26 and name od1) 3.00 0.40 0.40 assign (resid 170 and name hn2*) (resid 26 and name od2) 2.00 0.40 0.40 assign (resid 170 and name n24) (resid 26 and name od2) 3.00 0.40 0.40
Contact the webmaster for help, if required. Friday, April 19, 2024 6:16:03 AM GMT (wattos1)