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
26246 2kgk 16822 cing 1-original 4 XPLOR/CNS distance hydrogen bond simple


!Intra-DHFR
assign ( resid    2 and name   HN and segid A ) ( resid   91 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid    4 and name   HN and segid A ) ( resid   93 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid    5 and name   HN and segid A ) ( resid  111 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid    6 and name   HN and segid A ) ( resid   95 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid    7 and name   HN and segid A ) ( resid  113 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid    9 and name   HN and segid A ) ( resid  115 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   10 and name   HN and segid A ) ( resid   14 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   10 and name    O and segid A ) ( resid   13 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   15 and name   HN and segid A ) ( resid  125 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   17 and name   HN and segid A ) ( resid   20 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   18 and name   HN and segid A ) ( resid   20 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   25 and name    O and segid A ) ( resid   28 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   25 and name    O and segid A ) ( resid   29 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   27 and name    O and segid A ) ( resid   30 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   27 and name    O and segid A ) ( resid   31 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   28 and name    O and segid A ) ( resid   32 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   29 and name    O and segid A ) ( resid   33 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   30 and name    O and segid A ) ( resid   34 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   31 and name    O and segid A ) ( resid   35 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   32 and name    O and segid A ) ( resid   36 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   33 and name    O and segid A ) ( resid   37 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   38 and name   HN and segid A ) ( resid   57 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   41 and name   HN and segid A ) ( resid   59 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   42 and name   HN and segid A ) ( resid   94 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   43 and name   HN and segid A ) ( resid   61 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   44 and name   HN and segid A ) ( resid   97 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   44 and name    O and segid A ) ( resid   48 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   45 and name    O and segid A ) ( resid   49 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   46 and name    O and segid A ) ( resid   50 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   47 and name    O and segid A ) ( resid   51 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   48 and name    O and segid A ) ( resid   52 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   55 and name    O and segid A ) ( resid   58 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   41 and name    O and segid A ) ( resid   61 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   62 and name   HN and segid A ) ( resid   75 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   43 and name    O and segid A ) ( resid   63 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   64 and name   HN and segid A ) ( resid   77 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   66 and name    O and segid A ) ( resid   69 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   71 and name    O and segid A ) ( resid   74 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   60 and name    O and segid A ) ( resid   75 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   62 and name    O and segid A ) ( resid   77 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   79 and name    O and segid A ) ( resid   83 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   80 and name    O and segid A ) ( resid   84 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   82 and name    O and segid A ) ( resid   86 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   83 and name    O and segid A ) ( resid   87 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   85 and name    O and segid A ) ( resid   88 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   87 and name    O and segid A ) ( resid   90 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid    2 and name    O and segid A ) ( resid   93 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   40 and name    O and segid A ) ( resid   94 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid    4 and name    O and segid A ) ( resid   95 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   42 and name    O and segid A ) ( resid   96 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   42 and name    O and segid A ) ( resid   97 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   98 and name    O and segid A ) ( resid  102 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   99 and name    O and segid A ) ( resid  103 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  100 and name    O and segid A ) ( resid  104 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  101 and name    O and segid A ) ( resid  105 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  103 and name    O and segid A ) ( resid  106 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  105 and name    O and segid A ) ( resid  108 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  105 and name    O and segid A ) ( resid  109 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid    3 and name    O and segid A ) ( resid  110 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid    3 and name    O and segid A ) ( resid  111 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  112 and name   HN and segid A ) ( resid  158 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid    5 and name    O and segid A ) ( resid  113 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid    7 and name    O and segid A ) ( resid  115 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  116 and name   HN and segid A ) ( resid  154 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid    9 and name    O and segid A ) ( resid  117 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  118 and name   HN and segid A ) ( resid  152 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid   16 and name    O and segid A ) ( resid  125 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid   13 and name    O and segid A ) ( resid  127 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  138 and name   HN and segid A ) ( resid  157 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid  143 and name   HN and segid A ) ( resid  153 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid  146 and name   HN and segid A ) ( resid  149 and name    O and segid A ) 2.0 0.2 0.3
assign ( resid  149 and name    O and segid A ) ( resid  151 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  116 and name    O and segid A ) ( resid  154 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  114 and name    O and segid A ) ( resid  156 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  139 and name    O and segid A ) ( resid  157 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  112 and name    O and segid A ) ( resid  158 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  136 and name    O and segid A ) ( resid  159 and name   HN and segid A ) 2.0 0.2 0.3
assign ( resid  110 and name    O and segid A ) ( resid  160 and name   HN and segid A ) 2.0 0.2 0.3
!DHFR-NADPH:Hbonds
assign ( resid    8 and name    O and segid A ) ( resid  163 and name  N7N and segid B ) 2.5 0.5 2.5
assign ( resid    8 and name   HN and segid A ) ( resid  163 and name  O7N and segid B ) 2.5 0.5 0.5
assign ( resid   98 and name   HN and segid A ) ( resid  163 and name  O2A and segid B ) 4.0 2.2 2.0
assign ( resid   64 and name  OG1 and segid A ) ( resid  163 and name  O3X and segid B ) 2.5 0.5 0.5
assign ( resid   45 and name   NE and segid A ) ( resid  163 and name  O3X and segid B ) 2.5 0.5 0.5
assign ( resid   45 and name  HN2 and segid A ) ( resid  163 and name  O2X and segid B ) 2.5 0.5 0.5
assign ( resid   15 and name    O and segid A ) ( resid  163 and name  N7N and segid B ) 4.0 2.2 2.0
assign ( resid   47 and name   HN and segid A ) ( resid  163 and name  O2A and segid B ) 2.5 0.5 0.5
assign ( resid  101 and name   HN and segid A ) ( resid  163 and name  O1A and segid B ) 2.5 0.5 1.5
assign ( resid   65 and name   HN and segid A ) ( resid  163 and name  O1X and segid B ) 2.5 0.5 1.5
assign ( resid  100 and name   HN and segid A ) ( resid  163 and name  O2N and segid B ) 2.5 0.5 0.5
assign ( resid  100 and name   HN and segid A ) ( resid  163 and name  O5B and segid B ) 4.0 2.2 2.0
assign ( resid   20 and name   HN and segid A ) ( resid  163 and name  O3D and segid B ) 4.0 2.2 2.0
!DHFR-Ligand: Hbonds
assign ( resid   28 and name  OE1 and segid A ) ( resid  164 and name   N4 and segid C ) 2.5 0.5 2.5
assign ( resid   28 and name  OE2 and segid A ) ( resid  164 and name   N8 and segid C ) 2.5 0.5 1.5



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