NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
26861 2oed cing 1-original 17 XPLOR/CNS dipolar coupling



! rcds_E_CN.dat
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi   2 and name  C   )
       ( segi GB3N and resi   3 and name  N   )   0.282 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi   3 and name  C   )
       ( segi GB3N and resi   4 and name  N   )  -1.846 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi   4 and name  C   )
       ( segi GB3N and resi   5 and name  N   )   1.178 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi   5 and name  C   )
       ( segi GB3N and resi   6 and name  N   )  -1.138 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi   6 and name  C   )
       ( segi GB3N and resi   7 and name  N   )   1.486 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi   7 and name  C   )
       ( segi GB3N and resi   8 and name  N   )  -0.256 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi   8 and name  C   )
       ( segi GB3N and resi   9 and name  N   )   2.272 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi   9 and name  C   )
       ( segi GB3N and resi  10 and name  N   )  -0.076 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  12 and name  C   )
       ( segi GB3N and resi  13 and name  N   )  -0.184 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  13 and name  C   )
       ( segi GB3N and resi  14 and name  N   )  -0.240 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  14 and name  C   )
       ( segi GB3N and resi  15 and name  N   )  -1.916 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  15 and name  C   )
       ( segi GB3N and resi  16 and name  N   )  -0.900 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  16 and name  C   )
       ( segi GB3N and resi  17 and name  N   )  -2.150 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  17 and name  C   )
       ( segi GB3N and resi  18 and name  N   )   0.108 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  18 and name  C   )
       ( segi GB3N and resi  19 and name  N   )  -2.016 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  19 and name  C   )
       ( segi GB3N and resi  20 and name  N   )   1.878 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  20 and name  C   )
       ( segi GB3N and resi  21 and name  N   )  -0.998 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  21 and name  C   )
       ( segi GB3N and resi  22 and name  N   )  -1.422 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  22 and name  C   )
       ( segi GB3N and resi  23 and name  N   )   0.138 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  23 and name  C   )
       ( segi GB3N and resi  24 and name  N   )  -0.556 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  27 and name  C   )
       ( segi GB3N and resi  28 and name  N   )  -1.506 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  28 and name  C   )
       ( segi GB3N and resi  29 and name  N   )  -0.408 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  30 and name  C   )
       ( segi GB3N and resi  31 and name  N   )   0.022 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  31 and name  C   )
       ( segi GB3N and resi  32 and name  N   )  -1.460 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  32 and name  C   )
       ( segi GB3N and resi  33 and name  N   )   0.600 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  33 and name  C   )
       ( segi GB3N and resi  34 and name  N   )   1.018 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  34 and name  C   )
       ( segi GB3N and resi  35 and name  N   )  -0.700 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  35 and name  C   )
       ( segi GB3N and resi  36 and name  N   )  -1.284 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  36 and name  C   )
       ( segi GB3N and resi  37 and name  N   )   0.984 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  37 and name  C   )
       ( segi GB3N and resi  38 and name  N   )   0.172 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  38 and name  C   )
       ( segi GB3N and resi  39 and name  N   )   0.918 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  42 and name  C   )
       ( segi GB3N and resi  43 and name  N   )  -1.432 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  43 and name  C   )
       ( segi GB3N and resi  44 and name  N   )   0.126 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  44 and name  C   )
       ( segi GB3N and resi  45 and name  N   )   0.960 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  45 and name  C   )
       ( segi GB3N and resi  46 and name  N   )  -0.204 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  46 and name  C   )
       ( segi GB3N and resi  47 and name  N   )   0.510 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  47 and name  C   )
       ( segi GB3N and resi  48 and name  N   )  -0.342 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  48 and name  C   )
       ( segi GB3N and resi  49 and name  N   )   0.630 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  49 and name  C   )
       ( segi GB3N and resi  50 and name  N   )  -0.284 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  50 and name  C   )
       ( segi GB3N and resi  51 and name  N   )  -2.066 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  51 and name  C   )
       ( segi GB3N and resi  52 and name  N   )   2.038 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  52 and name  C   )
       ( segi GB3N and resi  53 and name  N   )  -1.590 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  53 and name  C   )
       ( segi GB3N and resi  54 and name  N   )   1.468 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  54 and name  C   )
       ( segi GB3N and resi  55 and name  N   )  -0.908 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  55 and name  C   )
       ( segi GB3N and resi  56 and name  N   )   1.338 0.125 0.125

{
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  10 and name  C   )
       ( segi GB3N and resi  11 and name  N   )  -0.098 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  11 and name  C   )
       ( segi GB3N and resi  12 and name  N   )  -0.564 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  24 and name  C   )
       ( segi GB3N and resi  25 and name  N   )  -1.724 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  25 and name  C   )
       ( segi GB3N and resi  26 and name  N   )   0.626 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  26 and name  C   )
       ( segi GB3N and resi  27 and name  N   )   0.402 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  39 and name  C   )
       ( segi GB3N and resi  40 and name  N   )  -0.824 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  40 and name  C   )
       ( segi GB3N and resi  41 and name  N   )  -0.158 0.125 0.125
  
assign (               resi 505 and name  OO  )
       (               resi 505 and name  Z   )
       (               resi 505 and name  X   )
       (               resi 505 and name  Y   )
       ( segi GB3N and resi  41 and name  C   )
       ( segi GB3N and resi  42 and name  N   )   1.396 0.125 0.125
}



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