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
1275 1afo cing 1-original 4 XPLOR/CNS distance hydrogen bond simple


remarks O::HN distance restraint for i -> i-4 H bonds
assign (segid "a   " and resid 72 and name o)  (segid "a   " and resid 76 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 73 and name o)  (segid "a   " and resid 77 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 74 and name o)  (segid "a   " and resid 78 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 75 and name o)  (segid "a   " and resid 79 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 76 and name o)  (segid "a   " and resid 80 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 77 and name o)  (segid "a   " and resid 81 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 78 and name o)  (segid "a   " and resid 82 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 79 and name o)  (segid "a   " and resid 83 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 80 and name o)  (segid "a   " and resid 84 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 81 and name o)  (segid "a   " and resid 85 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 82 and name o)  (segid "a   " and resid 86 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 83 and name o)  (segid "a   " and resid 87 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 84 and name o)  (segid "a   " and resid 88 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 85 and name o)  (segid "a   " and resid 89 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 86 and name o)  (segid "a   " and resid 90 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 87 and name o)  (segid "a   " and resid 91 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 88 and name o)  (segid "a   " and resid 92 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 89 and name o)  (segid "a   " and resid 93 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 90 and name o)  (segid "a   " and resid 94 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 91 and name o)  (segid "a   " and resid 95 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 92 and name o)  (segid "a   " and resid 96 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 93 and name o)  (segid "a   " and resid 97 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 94 and name o)  (segid "a   " and resid 98 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 95 and name o)  (segid "a   " and resid 99 and name hn)  1.9   0.1  0.1


!remarks O..N distance restraint for i -> i-4 H bonds
assign (segid "a   " and resid 72 and name o)  (segid "a   " and resid 76 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 73 and name o)  (segid "a   " and resid 77 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 74 and name o)  (segid "a   " and resid 78 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 75 and name o)  (segid "a   " and resid 79 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 76 and name o)  (segid "a   " and resid 80 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 77 and name o)  (segid "a   " and resid 81 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 78 and name o)  (segid "a   " and resid 82 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 79 and name o)  (segid "a   " and resid 83 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 80 and name o)  (segid "a   " and resid 84 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 81 and name o)  (segid "a   " and resid 85 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 82 and name o)  (segid "a   " and resid 86 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 83 and name o)  (segid "a   " and resid 87 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 84 and name o)  (segid "a   " and resid 88 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 85 and name o)  (segid "a   " and resid 89 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 86 and name o)  (segid "a   " and resid 90 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 87 and name o)  (segid "a   " and resid 91 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 88 and name o)  (segid "a   " and resid 92 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 89 and name o)  (segid "a   " and resid 93 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 90 and name o)  (segid "a   " and resid 94 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 91 and name o)  (segid "a   " and resid 95 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 92 and name o)  (segid "a   " and resid 96 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 93 and name o)  (segid "a   " and resid 97 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 94 and name o)  (segid "a   " and resid 98 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 95 and name o)  (segid "a   " and resid 99 and name n)  2.9   0.15 0.15


remarks O::HN distance restraint for i -> i-4 H bonds
assign (segid "b   " and resid 72 and name o)  (segid "b   " and resid 76 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 73 and name o)  (segid "b   " and resid 77 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 74 and name o)  (segid "b   " and resid 78 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 75 and name o)  (segid "b   " and resid 79 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 76 and name o)  (segid "b   " and resid 80 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 77 and name o)  (segid "b   " and resid 81 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 78 and name o)  (segid "b   " and resid 82 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 79 and name o)  (segid "b   " and resid 83 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 80 and name o)  (segid "b   " and resid 84 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 81 and name o)  (segid "b   " and resid 85 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 82 and name o)  (segid "b   " and resid 86 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 83 and name o)  (segid "b   " and resid 87 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 84 and name o)  (segid "b   " and resid 88 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 85 and name o)  (segid "b   " and resid 89 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 86 and name o)  (segid "b   " and resid 90 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 87 and name o)  (segid "b   " and resid 91 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 88 and name o)  (segid "b   " and resid 92 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 89 and name o)  (segid "b   " and resid 93 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 90 and name o)  (segid "b   " and resid 94 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 91 and name o)  (segid "b   " and resid 95 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 92 and name o)  (segid "b   " and resid 96 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 93 and name o)  (segid "b   " and resid 97 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 94 and name o)  (segid "b   " and resid 98 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 95 and name o)  (segid "b   " and resid 99 and name hn)  1.9   0.1  0.1

remarks O..N distance restraint for i -> i-4 H bonds
assign (segid "b   " and resid 72 and name o)  (segid "b   " and resid 76 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 73 and name o)  (segid "b   " and resid 77 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 74 and name o)  (segid "b   " and resid 78 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 75 and name o)  (segid "b   " and resid 79 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 76 and name o)  (segid "b   " and resid 80 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 77 and name o)  (segid "b   " and resid 81 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 78 and name o)  (segid "b   " and resid 82 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 79 and name o)  (segid "b   " and resid 83 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 80 and name o)  (segid "b   " and resid 84 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 81 and name o)  (segid "b   " and resid 85 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 82 and name o)  (segid "b   " and resid 86 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 83 and name o)  (segid "b   " and resid 87 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 84 and name o)  (segid "b   " and resid 88 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 85 and name o)  (segid "b   " and resid 89 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 86 and name o)  (segid "b   " and resid 90 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 87 and name o)  (segid "b   " and resid 91 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 88 and name o)  (segid "b   " and resid 92 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 89 and name o)  (segid "b   " and resid 93 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 90 and name o)  (segid "b   " and resid 94 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 91 and name o)  (segid "b   " and resid 95 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 92 and name o)  (segid "b   " and resid 96 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 93 and name o)  (segid "b   " and resid 97 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 94 and name o)  (segid "b   " and resid 98 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 95 and name o)  (segid "b   " and resid 99 and name n)  2.9   0.15 0.15



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