NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
526221 2lf1 17311 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


! Hydrogen bonds
! All donors (nh) in protein are found from slow H->D exchange rate constants
!b-sheet's h-bonds
class hbonds
assign (resid   3 and name hn )   (resid 112 and name o )   2.30  0.80  0.20
assign (resid   3 and name n )    (resid 112 and name o )   3.30  0.70  0.20
assign (resid   4 and name hn )   (resid  96 and name o )   2.30  0.80  0.20
assign (resid   4 and name n )    (resid  96 and name o )   3.30  0.70  0.20
assign (resid   5 and name hn )   (resid 114 and name o )   2.30  0.80  0.20
assign (resid   5 and name n )    (resid 114 and name o )   3.30  0.70  0.20
assign (resid   7 and name n )    (resid 116 and name o )   3.30  0.70  0.20
assign (resid   7 and name n )    (resid 116 and name o )   3.30  0.70  0.20
assign (resid  38 and name hn )   (resid  93 and name o )   2.30  0.80  0.20
assign (resid  38 and name n )    (resid  93 and name o )   3.30  0.70  0.20
assign (resid  39 and name hn )   (resid  58 and name o )   2.30  0.80  0.20
assign (resid  39 and name n )    (resid  58 and name o )   3.30  0.70  0.20
assign (resid  40 and name hn )   (resid  95 and name o )   2.30  0.80  0.20
assign (resid  40 and name n )    (resid  95 and name o )   3.30  0.70  0.20
assign (resid  41 and name hn )   (resid  60 and name o )   2.30  0.80  0.20
assign (resid  41 and name n )    (resid  60 and name o )   3.30  0.70  0.20
assign (resid  42 and name hn )   (resid  98 and name o )   2.30  0.80  0.20
assign (resid  42 and name n )    (resid  98 and name o )   3.30  0.70  0.20
assign (resid  58 and name hn )   (resid  37 and name o )   2.30  0.80  0.20
assign (resid  58 and name n )    (resid  37 and name o )   3.30  0.70  0.20
assign (resid  60 and name hn )   (resid  39 and name o )   2.30  0.80  0.20
assign (resid  60 and name n )    (resid  39 and name o )   3.30  0.70  0.20
assign (resid  61 and name hn )   (resid  74 and name o )   2.30  0.80  0.20
assign (resid  61 and name n )    (resid  74 and name o )   3.30  0.70  0.20
assign (resid  62 and name hn )   (resid  41 and name o )   2.30  0.80  0.20
assign (resid  62 and name n )    (resid  41 and name o )   3.30  0.70  0.20
assign (resid  63 and name hn )   (resid  76 and name o )   2.30  0.80  0.20
assign (resid  63 and name n )    (resid  76 and name o )   3.30  0.70  0.20
assign (resid  73 and name n )    (resid  70 and name o )   3.30  0.70  0.20
assign (resid  73 and name hn )   (resid  70 and name o )   2.30  0.80  0.20
assign (resid  74 and name hn )   (resid  59 and name o )   2.30  0.80  0.20
assign (resid  74 and name hn )   (resid  59 and name o )   2.30  0.80  0.20
assign (resid  76 and name hn )   (resid  61 and name o )   2.30  0.80  0.20
assign (resid  76 and name n )    (resid  61 and name o )   3.30  0.70  0.20
assign (resid  95 and name hn )   (resid  38 and name o )   2.30  0.80  0.20
assign (resid  95 and name n )    (resid  38 and name o )   3.30  0.70  0.20
assign (resid  96 and name hn )   (resid   2 and name o )   2.30  0.80  0.20
assign (resid  96 and name n )    (resid   2 and name o )   3.30  0.70  0.20
assign (resid  97 and name hn )   (resid  40 and name o )   2.50  1.00  0.50
assign (resid  97 and name n )    (resid  40 and name o )   3.50  1.00  0.50
assign (resid  98 and name hn )   (resid  40 and name o )   2.50  1.00  0.50
assign (resid  98 and name n )    (resid  40 and name o )   3.50  1.00  0.50
assign (resid 112 and name hn )   (resid   1 and name o )   2.30  0.80  0.20
assign (resid 112 and name n )    (resid   1 and name o )   3.30  0.70  0.20
assign (resid 113 and name hn )   (resid 158 and name o )   2.30  0.80  0.20
assign (resid 113 and name n )    (resid 158 and name o )   3.30  0.70  0.20
assign (resid 114 and name hn )   (resid   3 and name o )   2.30  0.80  0.20
assign (resid 114 and name n )    (resid   3 and name o )   3.30  0.70  0.20
assign (resid 115 and name hn )   (resid 156 and name o )   2.30  0.80  0.20
assign (resid 115 and name n )    (resid 156 and name o )   3.30  0.70  0.20
assign (resid 116 and name hn )   (resid   5 and name o )   2.30  0.80  0.20
assign (resid 116 and name n )    (resid   5 and name o )   3.30  0.70  0.20
assign (resid 117 and name hn )   (resid 154 and name o )   2.30  0.80  0.20
assign (resid 117 and name n )    (resid 154 and name o )   3.30  0.70  0.20
assign (resid 118 and name hn )   (resid   7 and name o )   2.30  0.80  0.20
assign (resid 118 and name n )    (resid   7 and name o )   3.30  0.70  0.20
assign (resid 119 and name hn )   (resid 152 and name o )   2.30  0.80  0.20
assign (resid 119 and name n )    (resid 152 and name o )   3.30  0.70  0.20
assign (resid 137 and name hn )   (resid 159 and name o )   2.30  0.80  0.20
assign (resid 137 and name n )    (resid 159 and name o )   3.30  0.70  0.20
assign (resid 139 and name hn )   (resid 157 and name o )   2.30  0.80  0.20
assign (resid 139 and name n )    (resid 157 and name o )   3.30  0.70  0.20
assign (resid 140 and name hn )   (resid 157 and name o )   2.30  0.80  0.20
assign (resid 140 and name n )    (resid 157 and name o )   3.30  0.70  0.20
assign (resid 142 and name hn )   (resid 155 and name o )   2.30  0.80  0.20
assign (resid 142 and name n )    (resid 155 and name o )   3.30  0.70  0.20
assign (resid 144 and name hn )   (resid 153 and name o )   2.30  0.80  0.20
assign (resid 144 and name n )    (resid 153 and name o )   3.30  0.70  0.20
assign (resid 153 and name hn )   (resid 144 and name o )   2.30  0.80  0.20
assign (resid 153 and name n )    (resid 144 and name o )   3.30  0.70  0.20
assign (resid 154 and name hn )   (resid 117 and name o )   2.30  0.80  0.20
assign (resid 154 and name n )    (resid 117 and name o )   3.30  0.70  0.20
assign (resid 155 and name hn )   (resid 142 and name o )   2.30  0.80  0.20
assign (resid 155 and name n )    (resid 142 and name o )   3.30  0.70  0.20
assign (resid 156 and name hn )   (resid 115 and name o )   2.30  0.80  0.20
assign (resid 156 and name n )    (resid 115 and name o )   3.30  0.70  0.20
assign (resid 157 and name hn )   (resid 140 and name o )   2.30  0.80  0.20
assign (resid 157 and name n )    (resid 140 and name o )   3.30  0.70  0.20
assign (resid 158 and name hn )   (resid 113 and name o )   2.30  0.80  0.20
assign (resid 158 and name n )    (resid 113 and name o )   3.30  0.70  0.20
assign (resid 159 and name hn )   (resid 137 and name o )   2.30  0.80  0.20
assign (resid 159 and name n )    (resid 137 and name o )   3.30  0.70  0.20
assign (resid 160 and name hn )   (resid 111 and name o )   2.30  0.80  0.20
assign (resid 160 and name n )    (resid 111 and name o )   3.30  0.70  0.20
!
!a-helical h-bonds 
assign (resid  26 and name hn )   (resid  23 and name o )   2.30  0.80  0.20
assign (resid  26 and name n  )   (resid  23 and name o )   3.30  0.70  0.20
assign (resid  27 and name hn )   (resid  23 and name o )   2.30  0.80  0.20
assign (resid  27 and name n  )   (resid  23 and name o )   3.30  0.70  0.20
assign (resid  29 and name hn )   (resid  25 and name o )   2.30  0.80  0.20
assign (resid  29 and name n  )   (resid  25 and name o )   3.30  0.70  0.20
assign (resid  30 and name hn )   (resid  27 and name o )   2.30  0.80  0.20
assign (resid  30 and name n  )   (resid  27 and name o )   3.30  0.70  0.20
assign (resid  32 and name hn )   (resid  28 and name o )   2.30  0.80  0.20
assign (resid  32 and name n  )   (resid  28 and name o )   3.30  0.70  0.20
assign (resid  33 and name hn )   (resid  29 and name o )   2.30  0.80  0.20
assign (resid  33 and name n  )   (resid  29 and name o )   3.30  0.70  0.20
assign (resid  35 and name hn )   (resid  33 and name o )   2.30  0.80  0.20
assign (resid  35 and name n  )   (resid  33 and name o )   3.30  0.70  0.20
assign (resid  43 and name hn )   (resid  62 and name o )   2.30  0.80  0.20
assign (resid  43 and name n  )   (resid  62 and name o )   3.30  0.70  0.20
assign (resid  46 and name hn )   (resid  42 and name o )   2.30  0.80  0.20
assign (resid  46 and name n  )   (resid  42 and name o )   3.30  0.70  0.20
assign (resid  47 and name hn )   (resid  43 and name o )   2.30  0.80  0.20
assign (resid  47 and name n  )   (resid  43 and name o )   3.30  0.70  0.20
assign (resid  48 and name hn )   (resid  44 and name o )   2.30  0.80  0.20
assign (resid  48 and name n  )   (resid  44 and name o )   3.30  0.70  0.20
assign (resid  49 and name hn )   (resid  45 and name o )   2.30  0.80  0.20
assign (resid  49 and name n  )   (resid  45 and name o )   3.30  0.70  0.20
assign (resid  82 and name hn )   (resid  78 and name o )   2.30  0.80  0.20
assign (resid  82 and name hn )   (resid  78 and name o )   2.30  0.80  0.20
assign (resid  83 and name hn )   (resid  79 and name o )   2.30  0.70  0.20
assign (resid  83 and name n  )   (resid  79 and name o )   3.30  0.70  0.20
assign (resid  84 and name hn )   (resid  80 and name o )   2.30  0.80  0.20
assign (resid  84 and name n  )   (resid  80 and name o )   3.30  0.70  0.20
assign (resid  85 and name hn )   (resid  81 and name o )   2.30  0.80  0.20
assign (resid  85 and name n  )   (resid  81 and name o )   3.30  0.70  0.20
assign (resid  86 and name hn )   (resid  82 and name o )   2.30  0.80  0.20
assign (resid  86 and name n  )   (resid  82 and name o )   3.30  0.70  0.20
assign (resid  87 and name hn )   (resid  83 and name o )   2.30  0.80  0.20
assign (resid  87 and name n  )   (resid  83 and name o )   3.30  0.70  0.20
assign (resid  88 and name hn )   (resid  84 and name o )   2.30  0.80  0.20
assign (resid  88 and name n  )   (resid  84 and name o )   3.30  0.70  0.20
assign (resid  89 and name hn )   (resid  85 and name o )   2.30  0.70  0.20
assign (resid  89 and name n  )   (resid  85 and name o )   3.30  0.70  0.20
assign (resid 102 and name hn )   (resid  99 and name o )   2.30  0.80  0.20
assign (resid 102 and name n  )   (resid  99 and name o )   3.30  0.70  0.20
assign (resid 103 and name hn )   (resid  99 and name o )   2.30  0.80  0.20
assign (resid 103 and name n  )   (resid  99 and name o )   3.30  0.70  0.20
assign (resid 104 and name hn )   (resid 100 and name o )   2.30  0.80  0.20
assign (resid 104 and name n  )   (resid 100 and name o )   3.30  0.70  0.20
assign (resid 105 and name hn )   (resid 101 and name o )   2.30  0.80  0.20
assign (resid 105 and name n  )   (resid 101 and name o )   3.30  0.70  0.20
assign (resid 106 and name hn )   (resid 102 and name o )   2.30  0.80  0.20
assign (resid 106 and name n  )   (resid 102 and name o )   3.30  0.70  0.20
assign (resid 107 and name hn )   (resid 103 and name o )   2.30  0.80  0.20
assign (resid 107 and name n  )   (resid 103 and name o )   3.30  0.70  0.20
!
! turns
assign (resid   8 and name hn )   (resid  12 and name o )   2.30  0.80  0.50
assign (resid   8 and name n )    (resid  12 and name o )   3.30  0.70  0.50
assign (resid   9 and name hn )   ((resid 118 or resid 120) and name o )   2.30  0.80  0.50
assign (resid   9 and name n )    ((resid 118 or resid 120) and name o )   3.30  0.70  0.50
assign (resid  11 and name hn )   (resid   8 and name o )   2.30  0.80  0.50
assign (resid  11 and name n )    (resid   8 and name o )   3.30  0.70  0.50
assign (resid  13 and name hn )   (resid 126 and name o )   2.50  1.00  0.50
assign (resid  13 and name n )    (resid 126 and name o )   3.50  1.00  0.50
assign (resid  14 and name n)     (resid 126 and name o )   3.50  1.00  0.50
assign (resid  14 and name hn)    (resid 126 and name o )   2.50  1.00  0.50 
assign (resid  37 and name hn )   (resid  34 and name o )   2.50  1.00  0.50
assign (resid  37 and name n )    (resid  34 and name o )   3.50  1.00  0.50
assign (resid  57 and name hn )   (resid  54 and name o )   2.50  1.00  0.50
assign (resid  57 and name n )    (resid  54 and name o )   3.50  1.00  0.50
assign (resid  92 and name hn )   (resid  89 and name o )   2.50  1.00  0.50
assign (resid  92 and name n )    (resid  89 and name o )   3.50  1.00  0.50
assign (resid 109 and name hn )   (resid 106 and name o )   2.50  1.00  0.50
assign (resid 109 and name n  )   (resid 106 and name o )   3.50  1.00  0.50
assign (resid 120 and name hn )   (resid 150 and name o )   2.30  0.80  0.50
assign (resid 120 and name n  )   (resid 150 and name o )   3.30  0.70  0.50
assign (resid 128 and name hn )   (resid  11 and name o )   2.30  0.80  0.50
assign (resid 128 and name n  )   (resid  11 and name o )   3.30  0.70  0.50
assign (resid 133 and name hn )   (resid 131 and name o )   2.30  0.80  0.50
assign (resid 133 and name n  )   (resid 131 and name o )   3.30  0.70  0.50
assign (resid 135 and name hn )   (resid 132 and name o )   2.30  0.80  0.50
assign (resid 135 and name n  )   (resid 132 and name o )   3.30  0.70  0.50
assign (resid 136 and name hn )   (resid 133 and name o )   2.30  0.80  0.50
assign (resid 136 and name n  )   (resid 133 and name o )   3.30  0.70  0.50
assign (resid 151 and name hn )   (resid 148 and name o )   2.30  0.80  0.50
assign (resid 151 and name n  )   (resid 148 and name o )   3.30  0.70  0.50
assign (resid 152 and name hn )   (resid 149 and name o )   2.30  0.80  0.50
assign (resid 152 and name n  )   (resid 149 and name o )   3.30  0.70  0.50
!
assign (resid  34 and name hg1)   (resid  30 and name o )   2.30  0.80  0.20
assign (resid  34 and name og1)   (resid  30 and name o )   3.30  0.70  0.20
assign (resid 116 and name hg1)   (resid  26 and name od2)  2.30  0.80  0.20
assign (resid 116 and name og1)   (resid  26 and name od2)  3.30  0.70  0.20
!
!Asp6 - NADPH interaction
assign (resid   6 and name hn )   (resid 170 and name o7n)  2.50  1.00  0.50
assign (resid   6 and name n )    (resid 170 and name o7n)  3.50  1.00  0.50
! His153 - Asp25 interaction
assign (resid 153 and (name he2 or name hd1 )) (resid  25 and name od* )  2.50  1.00  0.50
assign (resid 153 and (name ne2 or name nd1 )) (resid  25 and name od* )  3.50  1.00  0.50


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