NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
1498 | 1ao8 | cing | 1-original | 2 | XPLOR/CNS | distance | hydrogen bond | simple |
! hydrogen bond restraints ! assign (resid 2 and name hn ) (resid 94 and name o ) 2.3 0.8 0.2 assign (resid 2 and name n ) (resid 94 and name o ) 3.3 0.6 0.2 assign (resid 3 and name hn ) (resid 112 and name o ) 2.3 0.8 0.2 assign (resid 3 and name n ) (resid 112 and name o ) 3.3 0.6 0.2 assign (resid 4 and name hn ) (resid 96 and name o ) 2.3 0.8 0.2 assign (resid 4 and name n ) (resid 96 and name o ) 3.3 0.6 0.2 assign (resid 5 and name hn ) (resid 114 and name o ) 2.3 0.8 0.2 assign (resid 5 and name n ) (resid 114 and name o ) 3.3 0.6 0.2 assign (resid 7 and name hn ) (resid 116 and name o ) 2.3 0.8 0.2 assign (resid 7 and name n ) (resid 116 and name o ) 3.3 0.6 0.2 assign (resid 13 and name hn ) (resid 126 and name o ) 2.3 0.8 0.2 assign (resid 13 and name n ) (resid 126 and name o ) 3.3 0.6 0.2 assign (resid 35 and name hn ) (resid 31 and name o ) 2.3 0.8 0.2 assign (resid 35 and name n ) (resid 31 and name o ) 3.3 0.6 0.2 assign (resid 38 and name hn ) (resid 93 and name o ) 2.3 0.8 0.2 assign (resid 38 and name n ) (resid 93 and name o ) 3.3 0.6 0.2 assign (resid 39 and name hn ) (resid 58 and name o ) 2.3 0.8 0.2 assign (resid 39 and name n ) (resid 58 and name o ) 3.3 0.6 0.2 assign (resid 40 and name hn ) (resid 95 and name o ) 2.3 0.8 0.2 assign (resid 40 and name n ) (resid 95 and name o ) 3.3 0.6 0.2 assign (resid 41 and name hn ) (resid 60 and name o ) 2.3 0.8 0.2 assign (resid 41 and name n ) (resid 60 and name o ) 3.3 0.6 0.2 assign (resid 42 and name hn ) (resid 98 and name o ) 2.3 0.8 0.2 assign (resid 42 and name n ) (resid 98 and name o ) 3.3 0.6 0.2 assign (resid 46 and name hn ) (resid 42 and name o ) 2.3 0.8 0.2 assign (resid 46 and name n ) (resid 42 and name o ) 3.3 0.6 0.2 assign (resid 47 and name hn ) (resid 43 and name o ) 2.3 0.8 0.2 assign (resid 47 and name n ) (resid 43 and name o ) 3.3 0.6 0.2 assign (resid 60 and name hn ) (resid 39 and name o ) 2.3 0.8 0.2 assign (resid 60 and name n ) (resid 39 and name o ) 3.3 0.6 0.2 assign (resid 61 and name hn ) (resid 74 and name o ) 2.3 0.8 0.2 assign (resid 61 and name n ) (resid 74 and name o ) 3.3 0.6 0.2 assign (resid 62 and name hn ) (resid 41 and name o ) 2.3 0.8 0.2 assign (resid 62 and name n ) (resid 41 and name o ) 3.3 0.6 0.2 assign (resid 74 and name hn ) (resid 59 and name o ) 2.3 0.8 0.2 assign (resid 74 and name n ) (resid 59 and name o ) 3.3 0.6 0.2 assign (resid 76 and name hn ) (resid 61 and name o ) 2.3 0.8 0.2 assign (resid 76 and name n ) (resid 61 and name o ) 3.3 0.6 0.2 assign (resid 82 and name hn ) (resid 78 and name o ) 2.3 0.8 0.2 assign (resid 82 and name n ) (resid 78 and name o ) 3.3 0.6 0.2 assign (resid 85 and name hn ) (resid 81 and name o ) 2.3 0.8 0.2 assign (resid 85 and name n ) (resid 81 and name o ) 3.3 0.6 0.2 assign (resid 95 and name hn ) (resid 38 and name o ) 2.3 0.8 0.2 assign (resid 95 and name n ) (resid 38 and name o ) 3.3 0.6 0.2 assign (resid 96 and name hn ) (resid 2 and name o ) 2.3 0.8 0.2 assign (resid 96 and name n ) (resid 2 and name o ) 3.3 0.6 0.2 assign (resid 97 and name hn ) (resid 40 and name o ) 2.3 0.8 0.2 assign (resid 97 and name n ) (resid 40 and name o ) 3.3 0.6 0.2 assign (resid 103 and name hn ) (resid 99 and name o ) 2.3 0.8 0.2 assign (resid 103 and name n ) (resid 99 and name o ) 3.3 0.6 0.2 assign (resid 106 and name hn ) (resid 102 and name o ) 2.3 0.8 0.2 assign (resid 106 and name n ) (resid 102 and name o ) 3.3 0.6 0.2 assign (resid 113 and name hn ) (resid 158 and name o ) 2.3 0.8 0.2 assign (resid 113 and name n ) (resid 158 and name o ) 3.3 0.6 0.2 assign (resid 114 and name hn ) (resid 3 and name o ) 2.3 0.8 0.2 assign (resid 114 and name n ) (resid 3 and name o ) 3.3 0.6 0.2 assign (resid 115 and name hn ) (resid 156 and name o ) 2.3 0.8 0.2 assign (resid 115 and name n ) (resid 156 and name o ) 3.3 0.6 0.2 assign (resid 116 and name hn ) (resid 5 and name o ) 2.3 0.8 0.2 assign (resid 116 and name n ) (resid 5 and name o ) 3.3 0.6 0.2 assign (resid 117 and name hn ) (resid 154 and name o ) 2.3 0.8 0.2 assign (resid 117 and name n ) (resid 154 and name o ) 3.3 0.6 0.2 assign (resid 118 and name hn ) (resid 7 and name o ) 2.3 0.8 0.2 assign (resid 118 and name n ) (resid 7 and name o ) 3.3 0.6 0.2 assign (resid 137 and name hn ) (resid 159 and name o ) 2.3 0.8 0.2 assign (resid 137 and name n ) (resid 159 and name o ) 3.3 0.6 0.2 assign (resid 144 and name hn ) (resid 153 and name o ) 2.3 0.8 0.2 assign (resid 144 and name n ) (resid 153 and name o ) 3.3 0.6 0.2 assign (resid 153 and name hn ) (resid 144 and name o ) 2.3 0.8 0.2 assign (resid 153 and name n ) (resid 144 and name o ) 3.3 0.6 0.2 assign (resid 154 and name hn ) (resid 117 and name o ) 2.3 0.8 0.2 assign (resid 154 and name n ) (resid 117 and name o ) 3.3 0.6 0.2 assign (resid 155 and name hn ) (resid 142 and name o ) 2.3 0.8 0.2 assign (resid 155 and name n ) (resid 142 and name o ) 3.3 0.6 0.2 assign (resid 156 and name hn ) (resid 115 and name o ) 2.3 0.8 0.2 assign (resid 156 and name n ) (resid 115 and name o ) 3.3 0.6 0.2 assign (resid 157 and name hn ) (resid 140 and name o ) 2.3 0.8 0.2 assign (resid 157 and name n ) (resid 140 and name o ) 3.3 0.6 0.2 assign (resid 158 and name hn ) (resid 113 and name o ) 2.3 0.8 0.2 assign (resid 158 and name n ) (resid 113 and name o ) 3.3 0.6 0.2 assign (resid 159 and name hn ) (resid 137 and name o ) 2.3 0.8 0.2 assign (resid 159 and name n ) (resid 137 and name o ) 3.3 0.6 0.2 ! ! inferred from hbplus and chemical shiftis of T34,T116-HG1 ! assign (resid 34 and name hg1) (resid 30 and name o ) 2.3 0.8 0.2 assign (resid 34 and name og1) (resid 30 and name o ) 3.3 0.6 0.2 assign (resid 116 and name hg1) (resid 26 and name od1) 2.3 0.8 0.2 assign (resid 116 and name og1) (resid 26 and name od1) 3.3 0.6 0.2 ! ! Fake distance inferred from hsqc data due to lack of electrostatics ! assign (resid 170 and name o1 ) (resid 57 and name hh12) 2.3 0.8 0.2 assign (resid 170 and name o1 ) (resid 57 and name nh1 ) 3.3 0.6 0.2 assign (resid 170 and name o2 ) (resid 57 and name hh22) 2.3 0.8 0.2 assign (resid 170 and name o2 ) (resid 57 and name nh2 ) 3.3 0.6 0.2 ! ! D26-MTX interaction ! assign (resid 26 and name od2) (resid 170 and name h1n) 2.3 0.8 0.2 assign (resid 26 and name od2) (resid 170 and name n1 ) 3.3 0.6 0.2 assign (resid 26 and name od1) (resid 170 and name ha21) 2.3 0.8 0.2 assign (resid 26 and name od1) (resid 170 and name n2a) 3.3 0.6 0.2 ! ! dervied from other nmr data ! assign (resid 170 and name oe1) (resid 28 and name nd1 ) 4.0 2.2 1.0 !
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