NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
27483 2rn4 cing 1-original 3 XPLOR/CNS dihedral angle


!## DIHEs

set message=off echo=off end
!!
!! Phi restraints: minimum deviation = 30 degrees

  !!    7 
 assign (resid   6 and name c )   (resid   7 and name n )
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -92.95 40.0 2
  !!    8 
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -59.49 35.0 2
  !!    9
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -64.01 80.0 2
  !!    10
 assign (resid   9 and name c )   (resid   10 and name n ) 
        (resid   10 and name ca)   (resid   10 and name c )  1.0 -69.41 30.0 2
  !!    15
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -124.48 50.0 2
  !!    16 
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -126.14 55.0 2
  !!    17 
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -123.49 35.0 2
  !!    18
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -139.34 60.0 2
  !!    19 
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -109.05 35.0 2
  !!    25 
 assign (resid   24 and name c )   (resid   25 and name n ) 
        (resid   25 and name ca)   (resid   25 and name c )  1.0 -107.85 30.0 2
  !!    26 
 assign (resid   25 and name c )   (resid   26 and name n ) 
        (resid   26 and name ca)   (resid   26 and name c )  1.0 -126.67 30.0 2
  !!    27 
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -86.56 30.0 2
  !!    28 
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -119.83 30.0 2
  !!    29
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -127.02 30.0 2
  !!    35 
 assign (resid   34 and name c )   (resid   35 and name n ) 
        (resid   35 and name ca)   (resid   35 and name c )  1.0 -87.70 60.0 2
  !!    36 
 assign (resid   35 and name c )   (resid   36 and name n ) 
        (resid   36 and name ca)   (resid   36 and name c )  1.0 -61.29 30.0 2
  !!    37
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -65.22 30.0 2
  !!    41
 assign (resid   40 and name c )   (resid   41 and name n ) 
        (resid   41 and name ca)   (resid   41 and name c )  1.0 -105.02 30.0 2
  !!    42 
 assign (resid   41 and name c )   (resid   42 and name n ) 
        (resid   42 and name ca)   (resid   42 and name c )  1.0 -118.05 60.0 2
  !!    43 
 assign (resid   42 and name c )   (resid   43 and name n ) 
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -130.53 35.0 2
  !!    44 
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -126.83 45.0 2
  !!    47
 assign (resid   46 and name c )   (resid   47 and name n ) 
        (resid   47 and name ca)   (resid   47 and name c )  1.0 -62.55 30.0 2
  !!    48
 assign (resid   47 and name c )   (resid   48 and name n ) 
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -68.37 30.0 2
  !!    50
 assign (resid   49 and name c )   (resid   50 and name n ) 
        (resid   50 and name ca)   (resid   50 and name c )  1.0 -71.12 45.0 2
  !!    53 
 assign (resid   52 and name c )   (resid   53 and name n ) 
        (resid   53 and name ca)   (resid   53 and name c )  1.0 -92.98 40.0 2
  !! 60
assign (resid   59 and name c )   (resid   60 and name n ) 
       (resid   60 and name ca)   (resid   60 and name c )  1.0 -138.69 50.0 2
  !! 61
assign (resid   60 and name c )   (resid   61 and name n ) 
       (resid   61 and name ca)   (resid   61 and name c )  1.0 -130.40 50.0 2
  !! 62
assign (resid   61 and name c )   (resid   62 and name n ) 
       (resid   62 and name ca)   (resid   62 and name c )  1.0 -130.44 50.0 2
  !! 64
assign (resid   63 and name c )   (resid   64 and name n ) 
       (resid   64 and name ca)   (resid   64 and name c )  1.0 -103.97 50.0 2
  !! 68
assign (resid   67 and name c )   (resid   68 and name n ) 
       (resid   68 and name ca)   (resid   68 and name c )  1.0 -130.19 50.0 2
  !! 69
assign (resid   68 and name c )   (resid   69 and name n ) 
       (resid   69 and name ca)   (resid   69 and name c )  1.0 -113.57 50.0 2
  !! 71
assign (resid   70 and name c )   (resid   71 and name n ) 
       (resid   71 and name ca)   (resid   71 and name c )  1.0 -112.24 50.0 2
  !! 72
assign (resid   71 and name c )   (resid   72 and name n ) 
       (resid   72 and name ca)   (resid   72 and name c )  1.0 -89.08 50.0 2
  !! 73
!assign (resid   72 and name c )   (resid   73 and name n ) 
!       (resid   73 and name ca)   (resid   73 and name c )  1.0 -59.37 50.0 2
  !! 76
!assign (resid   75 and name c )   (resid   76 and name n ) 
!       (resid   76 and name ca)   (resid   76 and name c )  1.0 -70.93 70.0 2
  !! 77
assign (resid   76 and name c )   (resid   77 and name n ) 
       (resid   77 and name ca)   (resid   77 and name c )  1.0 -70.69 50.0 2
  !! 78
assign (resid   77 and name c )   (resid   78 and name n ) 
       (resid   78 and name ca)   (resid   78 and name c )  1.0 -106.19 50.0 2
  !! 79
assign (resid   78 and name c )   (resid   79 and name n ) 
       (resid   79 and name ca)   (resid   79 and name c )  1.0 -144.45 50.0 2
  !! 80
assign (resid   79 and name c )   (resid   80 and name n ) 
       (resid   80 and name ca)   (resid   80 and name c )  1.0 -116.15 50.0 2
  !! 81
assign (resid   80 and name c )   (resid   81 and name n )
       (resid   81 and name ca)   (resid   81 and name c )  1.0 -114.18 50.0 2
  !! 83
assign (resid   82 and name c )   (resid   83 and name n ) 
       (resid   83 and name ca)   (resid   83 and name c )  1.0 -74.35 50.0 2
  !! 88
assign (resid   87 and name c )   (resid   88 and name n ) 
       (resid   88 and name ca)   (resid   88 and name c )  1.0 -108.92 50.0 2
  !! 89
assign (resid   88 and name c )   (resid   89 and name n ) 
       (resid   89 and name ca)   (resid   89 and name c )  1.0 -116.46 50.0 2
  !! 90
assign (resid   89 and name c )   (resid   90 and name n ) 
       (resid   90 and name ca)   (resid   90 and name c )  1.0 -132.74 50.0 2
  !! 91
assign (resid   90 and name c )   (resid   91 and name n ) 
       (resid   91 and name ca)   (resid   91 and name c )  1.0 -145.98 50.0 2
  !! 92
assign (resid   91 and name c )   (resid   92 and name n ) 
       (resid   92 and name ca)   (resid   92 and name c )  1.0 -103.39 50.0 2
  !! 98
!assign (resid   97 and name c )   (resid   98 and name n ) 
!       (resid   98 and name ca)   (resid   98 and name c )  1.0 -105.41 60.0 2
  !! 99
assign (resid   98 and name c )   (resid   99 and name n ) 
       (resid   99 and name ca)   (resid   99 and name c )  1.0 -99.99 50.0 2
  !! 100
assign (resid   99 and name c )   (resid   100 and name n ) 
       (resid  100 and name ca)   (resid   100 and name c )  1.0 -121.55 50.0 2
  !! 101
assign (resid   100 and name c )   (resid   101 and name n ) 
       (resid   101 and name ca)   (resid   101 and name c )  1.0 -120.86 50.0 2
  !! 102
assign (resid   101 and name c )   (resid   102 and name n ) 
       (resid   102 and name ca)   (resid   102 and name c )  1.0 -124.47 50.0 2
  !! 105
assign (resid   104 and name c )   (resid   105 and name n ) 
       (resid   105 and name ca)   (resid   105 and name c )  1.0 -83.49 50.0 2
 
set message=on echo=on end

set echo=false end
set wrnlev=0 end


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