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
4966 1g47 4884 cing 1-original 3 XPLOR/CNS dihedral angle


! dihedral angle restraints.
! when performing calculations, distance retraints (above)
! and angle restraints (below) should be kept in separate
! files, they are here in a single file for PDB deposition.

! phi angle constraints obtained from corresponding
! coupling constants in the course of calculations.

  !!    m1
  !!    a2
  !!    n3
  !!    a4
  !!    l5
  !!    a6
  !!    s7
  !!    a8
  !!    t9
 assign (resid  8  and name c ) (resid  9  and name n )
        (resid  9  and name ca) (resid  9  and name c )   1.0  -120 20 2
  !!    c10
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid  10  and name ca) (resid  10  and name c )   1.0  -75 40 2
  !!    e11
 assign (resid  10  and name c ) (resid  11  and name n )
        (resid  11  and name ca) (resid  11  and name c )   1.0  -62 40 2
  !!    r12
  !!    c13
 assign (resid  12  and name c ) (resid  13  and name n )
        (resid  13  and name ca) (resid  13  and name c )   1.0  -120 40 2
  !!    k14
 assign (resid  13  and name c ) (resid  14  and name n )
        (resid  14  and name ca) (resid  14  and name c )   1.0  60 20 2
  !!    g15
  !!    g16
  !!    f17
 assign (resid  16  and name c ) (resid  17  and name n )
        (resid  17  and name ca) (resid  17  and name c )   1.0  -120 30 2
  !!    a18
 assign (resid  17  and name c ) (resid  18  and name n )
        (resid  18  and name ca) (resid  18  and name c )   1.0  -156 40 2
  !!    p19
  !!    a20
  !!    e21
 assign (resid  20  and name c ) (resid  21  and name n )
        (resid  21  and name ca) (resid  21  and name c )   1.0  -80 20 2
  !!    k22
 assign (resid  21  and name c ) (resid  22  and name n )
        (resid  22  and name ca) (resid  22  and name c )   1.0  -88 30 2
  !!    i23
  !!    v24
 assign (resid  23  and name c ) (resid  24  and name n )
        (resid  24  and name ca) (resid  24  and name c )   1.0  -120 30 2
  !!    n25
 assign (resid  24  and name c ) (resid  25  and name n )
        (resid  25  and name ca) (resid  25  and name c )   1.0  -120 40 2
  !!    s26
 assign (resid  25  and name c ) (resid  26  and name n )
        (resid  26  and name ca) (resid  26  and name c )   1.0  -120 40 2
  !!    n27
  !!    g28
  !!    e29
 assign (resid  28  and name c ) (resid  29  and name n )
        (resid  29  and name ca) (resid  29  and name c )   1.0  -120 40 2
  !!    l30
 assign (resid  29  and name c ) (resid  30  and name n )
        (resid  30  and name ca) (resid  30  and name c )   1.0  -130 30 2
  !!    y31
 assign (resid  30  and name c ) (resid  31  and name n )
        (resid  31  and name ca) (resid  31  and name c )   1.0  -120 30 2
  !!    h32
  !!    e33
 assign (resid  32  and name c ) (resid  33  and name n )
        (resid  33  and name ca) (resid  33  and name c )   1.0  -55 20 2
  !!    q34
  !!    c35
  !!    f36
  !!    v37
  !!    c38
  !!    a39
 assign (resid  38  and name c ) (resid  39  and name n )
        (resid  39  and name ca) (resid  39  and name c )   1.0  -62 30 2
  !!    q40
  !!    c41
  !!    f42
  !!    q43
  !!    q44
  !!    f45
 assign (resid  44  and name c ) (resid  45  and name n )
        (resid  45  and name ca) (resid  45  and name c )   1.0  -175 40 2
  !!    p46
  !!    e47
  !!    g48
  !!    l49
  !!    f50
  !!    y51
  !!    e52
  !!    f53
  !!    e54
 assign (resid  53  and name c ) (resid  54  and name n )
        (resid  54  and name ca) (resid  54  and name c )   1.0  -90 30 2
  !!    g55
  !!    r56
 assign (resid  55  and name c ) (resid  56  and name n )
        (resid  56  and name ca) (resid  56  and name c )   1.0  -120 30 2
  !!    k57
  !!    y58
  !!    c59
  !!    e60
 assign (resid  59  and name c ) (resid  60  and name n )
        (resid  60  and name ca) (resid  60  and name c )   1.0  -56 30 2
  !!    h61
  !!    d62
  !!    f63
  !!    q64
 assign (resid  63  and name c ) (resid  64  and name n )
        (resid  64  and name ca) (resid  64  and name c )   1.0  -66 20 2
  !!    m65
 assign (resid  64  and name c ) (resid  65  and name n )
        (resid  65  and name ca) (resid  65  and name c )   1.0  -74 20 2
  !!    l66
 assign (resid  65  and name c ) (resid  66  and name n )
        (resid  66  and name ca) (resid  66  and name c )   1.0  -75 40 2
  !!    f67
  !!    a68
  !!    p69
  !!    c70

! chi1 angle constraints, obtained from stereo assignments


  !! f17
 assign (resid 17 and name n ) (resid 17 and name ca)
        (resid 17 and name cb) (resid 17 and name cg)  1.0 60 20 2

  !! v24
 assign (resid 24 and name n ) (resid 24 and name ca)
        (resid 24 and name cb) (resid 24 and name cg1)   1.0 180.0 20.0 2
  !! n25
 assign (resid 25 and name n ) (resid 25 and name ca)
        (resid 25 and name cb) (resid 25 and name cg)  1.0 -180.0 30.0 2
  !! l30
 assign (resid 36 and name n ) (resid 36 and name ca)
        (resid 36 and name cb) (resid 36 and name cg)  1.0 -60.0 20.0 2
  !! y31
 assign (resid 36 and name n ) (resid 36 and name ca)
        (resid 36 and name cb) (resid 36 and name cg)  1.0 -60.0 30.0 2

  !! c35
 assign (resid 35 and name n ) (resid 35 and name ca)
        (resid 35 and name cb) (resid 35 and name sg)  1.0 -60.0 20.0 2
  !! c38
 assign (resid 38 and name n ) (resid 38 and name ca)
        (resid 38 and name cb) (resid 38 and name sg)  1.0 180.0 30.0 2

  !! c59
 assign (resid 59 and name n ) (resid 59 and name ca)
        (resid 59 and name cb) (resid 59 and name sg)  1.0 60 20.0 2

  !! l66
 assign (resid 66 and name n ) (resid 66 and name ca)
        (resid 66 and name cb) (resid 66 and name cg)   1.0   -60 20.0 2




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