NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

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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