Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
2501 | 1bzf RC | 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 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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 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(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 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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 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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 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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 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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 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(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