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
648730 6lkf cing 1-original 1 XPLOR/CNS distance hydrogen bond simple


# Restraints file 1: a5_hbda.tbl
!hbda.tbl

!a1 (23-40) a1 helix
assign (resid 27 and name n) (resid 27 and name hn) (resid 23 and name o)
assign (resid 28 and name n) (resid 28 and name hn) (resid 24 and name o)
assign (resid 29 and name n) (resid 29 and name hn) (resid 25 and name o)
assign (resid 30 and name n) (resid 30 and name hn) (resid 26 and name o)
assign (resid 31 and name n) (resid 31 and name hn) (resid 27 and name o)
assign (resid 32 and name n) (resid 32 and name hn) (resid 28 and name o)
assign (resid 33 and name n) (resid 33 and name hn) (resid 29 and name o)
assign (resid 34 and name n) (resid 34 and name hn) (resid 30 and name o)
assign (resid 35 and name n) (resid 35 and name hn) (resid 31 and name o)
assign (resid 36 and name n) (resid 36 and name hn) (resid 32 and name o)
assign (resid 37 and name n) (resid 37 and name hn) (resid 33 and name o)
assign (resid 38 and name n) (resid 38 and name hn) (resid 34 and name o)
assign (resid 39 and name n) (resid 39 and name hn) (resid 35 and name o)
assign (resid 40 and name n) (resid 40 and name hn) (resid 36 and name o)

!a2 (90-108) a2 helix
assign (resid 94 and name n) (resid 94 and name hn) (resid 90  and name o)
assign (resid 95 and name n) (resid 95 and name hn) (resid 91 and name o)
assign (resid 96 and name n) (resid 96 and name hn) (resid 92 and name o)
assign (resid 97 and name n) (resid 97 and name hn) (resid 93 and name o)
assign (resid 98 and name n) (resid 98 and name hn) (resid 94 and name o)
assign (resid 99 and name n) (resid 99 and name hn) (resid 95 and name o)
assign (resid 100 and name n) (resid 100 and name hn) (resid 96 and name o)
assign (resid 101 and name n) (resid 101 and name hn) (resid 97 and name o)
assign (resid 102 and name n) (resid 102 and name hn) (resid 98 and name o)
assign (resid 103 and name n) (resid 103 and name hn) (resid 99 and name o)
assign (resid 104 and name n) (resid 104 and name hn) (resid 100 and name o)
assign (resid 105 and name n) (resid 105 and name hn) (resid 101 and name o)
assign (resid 106 and name n) (resid 106 and name hn) (resid 102 and name o)
assign (resid 107 and name n) (resid 107 and name hn) (resid 103 and name o)
assign (resid 108 and name n) (resid 108 and name hn) (resid 104 and name o)

!b1-b2 (44-46; 51-54) anti-parallel
assign (resid 42 and name n) (resid 42 and name hn) (resid 55 and name o)
assign (resid 55 and name n) (resid 55 and name hn) (resid 42 and name o)
assign (resid 44 and name n) (resid 44 and name hn) (resid 53 and name o)
assign (resid 53 and name n) (resid 53 and name hn) (resid 44 and name o)
assign (resid 46 and name n) (resid 46 and name hn) (resid 51 and name o)
assign (resid 51 and name n) (resid 51 and name hn) (resid 46 and name o)

!b2-b3 (51-54; 60-65) anti-parallel
assign (resid 52 and name n) (resid 52 and name hn) (resid 63 and name o)
assign (resid 63 and name n) (resid 63 and name hn) (resid 52 and name o)
assign (resid 54 and name n) (resid 54 and name hn) (resid 61 and name o)
assign (resid 61 and name n) (resid 61 and name hn) (resid 54 and name o)
!assign (resid 56 and name n) (resid 56 and name hn) (resid 59 and name o)
!assign (resid 59 and name n) (resid 59 and name hn) (resid 56 and name o)

!b3-b4 (60-65; 80-86) parallel
assign (resid 60 and name n) (resid 60 and name hn) (resid 80 and name o)
assign (resid 82 and name n) (resid 82 and name hn) (resid 60 and name o)
assign (resid 62 and name n) (resid 62 and name hn) (resid 82 and name o)
assign (resid 84 and name n) (resid 84 and name hn) (resid 62 and name o)
assign (resid 64 and name n) (resid 64 and name hn) (resid 84 and name o)
assign (resid 86 and name n) (resid 86 and name hn) (resid 64 and name o)

!b4-b5 (80-86; 117-119) parallel
assign (resid 85 and name n) (resid 85 and name hn) (resid 119 and name o)
assign (resid 119 and name n) (resid 119 and name hn) (resid 83 and name o)
assign (resid 83 and name n) (resid 83 and name hn) (resid 117 and name o)
assign (resid 117 and name n) (resid 117 and name hn) (resid 81 and name o)

!b5-b6 (115-120; 125-130) anti-parallel
assign (resid 127 and name n) (resid 127 and name hn) (resid 118 and name o)
assign (resid 118 and name n) (resid 118 and name hn) (resid 127 and name o)
assign (resid 129 and name n) (resid 129 and name hn) (resid 116 and name o)
assign (resid 116 and name n) (resid 116 and name hn) (resid 129 and name o)

!b6-b7 (125-130; 136-140) anti-parallel
assign (resid 136 and name n) (resid 136 and name hn) (resid 130 and name o)
assign (resid 130 and name n) (resid 130 and name hn) (resid 136 and name o)
assign (resid 138 and name n) (resid 138 and name hn) (resid 128 and name o)
assign (resid 128 and name n) (resid 128 and name hn) (resid 138 and name o)
assign (resid 140 and name n) (resid 140 and name hn) (resid 126 and name o)



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