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
536487 2lbh 17561 cing 1-original 1 XPLOR/CNS dihedral angle


  !!    l3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )   1.0  -120.0 60.0 2
  !!    d4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )   1.0  -100.0 60.0 2
!! TALOS indicates -78.0 30.0
  !!    l5
 assign (resid  4  and name c ) (resid  5  and name n ) 
        (resid  5  and name ca) (resid  5  and name c )   1.0  -90.0 60.0 2
  !!  D6 accept talos rather J coupling value
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )   1.0  -140.0 60.0 2
  !!    v7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )   1.0  -120.0 30.0 2
   !!    r8
 assign (resid  7  and name c ) (resid  8  and name n ) 
        (resid  8  and name ca) (resid  8  and name c )   1.0  -50.0 20.0 2
   !!    t9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )   1.0  -80.0 20.0 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  -50.0 20.0 2
   !!    l11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c )   1.0  -10.0 20.0 2
  !!    c13


 assign (resid  12 and name c ) (resid  13  and name n ) 
        (resid  13 and name ca) (resid  13  and name c )   1.0  -140.0 30.0 2

  !! from crystal structure
assign (resid  13 and name c ) (resid  14  and name n ) 
        (resid  14 and name ca) (resid  14  and name c )   1.0   54.0 20.0 2
  !! from crystal structure 
assign (resid  14 and name c ) (resid  15  and name n ) 
        (resid  15 and name ca) (resid  15  and name c )   1.0  -40.0 20.0 2
  !! from crystal structure
assign (resid  15 and name c ) (resid  16  and name n ) 
        (resid  16 and name ca) (resid  16  and name c )   1.0   63.0 20.0 2
 !! from crystal structure

   !!    k18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )   1.0  -70.0 20.0 2
!! HNHA indicates -120 60
   !!    r20
 assign (resid 18 and name c ) (resid 19 and name n ) 
        (resid 19 and name ca) (resid 19 and name c )   1.0  -100.0 20.0 2

 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )   1.0  -130.0 30.0 2

 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )   1.0  -140.0 30.0 2
   !!    f22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )   1.0  -120.0 60.0 2
   !!    s25
 assign (resid 24 and name c ) (resid 25 and name n ) 
        (resid 25 and name ca) (resid 25 and name c )   1.0  -120.0 30.0 2
   !!    i26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c )   1.0  -140.0 20.0 2

 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )   1.0  -140.0 20.0 2
   !!    c28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )   1.0  -120.0 40.0 2

 assign (resid 29  and name c ) (resid 30  and name n ) 
        (resid 30  and name ca) (resid 30  and name c )   1.0  -45.0 20.0 2

 assign (resid 30 and name c ) (resid 31 and name n ) 
        (resid 31 and name ca) (resid 31 and name c )  1.0  -100.0 20.0 2

 assign (resid 31 and name c ) (resid 32 and name n ) 
        (resid 32 and name ca) (resid 32 and name c )  1.0  -120.0 50.0 2

 assign (resid 33 and name c ) (resid 34 and name n ) 
        (resid 34 and name ca) (resid 34 and name c )   1.0  -130.0 40.0 2
  !!      f35
 assign (resid 34 and name c ) (resid 35 and name n ) 
        (resid 35 and name ca) (resid 35 and name c )  1.0 -100.0 30.0 2
   !!    v36
 assign (resid 35 and name c ) (resid 36 and name n ) 
        (resid 36 and name ca) (resid 36 and name c )  1.0 -103.0 40.0 2
    !!    t38
 assign (resid  37  and name c ) (resid  38  and name n ) 
        (resid  38  and name ca) (resid  38  and name c )   1.0  -90.0 90.0 2
    !!    a39

 assign (resid 38 and name c ) (resid 39 and name n ) 
        (resid 39 and name ca) (resid 39 and name c )   1.0  -64.0 50.0 2
   !!    e40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )  1.0 -63.0 60.0 2
   !!    a41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )   1.0  -120.0 50.0 2
   !!    l42
 
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )   1.0  -61.0 20.0 2
   !!    r43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )  1.0 -79.0 30.0 2
   !!    c44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )   1.0  -100.0 80.0 2
   !!    q45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )  1.0 -70.0 40.0 2
   !!    e46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )   1.0  -110.0 20.0 2
   !!    l50

 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )   1.0  -70.0 50.0 2

 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )   1.0  -80.0 20.0 2


 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )   1.0  -145.0 20.0 2
  !!     q58
 assign (resid 57 and name c ) (resid 58 and name n ) 
        (resid 58 and name ca) (resid 58 and name c )   1.0  -80.0 40.0 2
  
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )   1.0  180.0 30.0 2

 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )   1.0  -70.0 30.0 2

 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )   1.0  -120.0 20.0 2


 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c )   1.0  50.0 20.0 2

 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )   1.0  -65.0 20.0 2

 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )   1.0  100.0 20.0 2

 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c )   1.0  -125.0 20.0 2

 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )   1.0 -100.0 20.0 2

 assign (resid 66 and name c ) (resid 67 and name n ) 
        (resid 67 and name ca) (resid 67 and name c )   1.0  -50.0 20.0 2

 
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )   1.0 -117.6 50.0 2
  !!    i72
 assign (resid 71  and name c ) (resid 72  and name n ) 
        (resid 72  and name ca) (resid 72  and name c )   1.0  -120.0 20.0 2
 
 
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )   1.0  -90.0 30.0 2
   !!    c74
 assign (resid 73 and name c ) (resid 74 and name n ) 
        (resid 74 and name ca) (resid 74 and name c )   1.0  -120.0 50.0 2
  !!    s75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )   1.0 -110.7 26.0 2
  !!    d77
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c )   1.0 -60.0 20.0 2

 assign (resid 76 and name c ) (resid 77 and name n ) 
        (resid 77 and name ca) (resid 77 and name c )   1.0  -125.0 20.0 2

 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )   1.0  -150.0 20.0 2

 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )   1.0  -150.0 20.0 2

 assign (resid 80 and name c ) (resid 81 and name n ) 
        (resid 81 and name ca) (resid 81 and name c )   1.0 -60.0 30.0 2
   !!    d82
 assign (resid 81 and name c ) (resid 82 and name n ) 
        (resid 82 and name ca) (resid 82 and name c )   1.0  -160.0 20.0 2
   !!    a84
 assign (resid 83 and name c ) (resid 84 and name n ) 
        (resid 84 and name ca) (resid 84 and name c )   1.0  -60.0 30.0 2

   !!    c85
 assign (resid 84 and name c ) (resid 85 and name n ) 
        (resid 85 and name ca) (resid 85 and name c )   1.0  -120.0 50.0 2

 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c )   1.0  -120.0 50.0 2

  !!    e88
 assign (resid 87 and name c ) (resid 88 and name n ) 
        (resid 88 and name ca) (resid 88 and name c )   1.0  -100.0 80.0 2

  !!    a89
 assign (resid 88 and name c ) (resid 89 and name n ) 
        (resid 89 and name ca) (resid 89 and name c )   1.0  -60.0 30.0 2

  !!    a90
 assign (resid 89 and name c ) (resid 90 and name n ) 
        (resid 90 and name ca) (resid 90 and name c )   1.0  -60.0 30.0 2
    !!    f91
 assign (resid 90 and name c ) (resid 91 and name n ) 
        (resid 91 and name ca) (resid 91 and name c )   1.0  -82.0 20.0 2
 

!remark psi angles constraints

  !!    l5
!! assign (resid 5 and name n ) (resid 5 and name ca) 
!!        (resid 5 and name c ) (resid 6 and name n )   1.0  138.0 40.0 2
  !!    v7
 assign (resid 7 and name n ) (resid 7 and name ca) 
        (resid 7 and name c ) (resid 8 and name n )   1.0  150.0 20.0 2
 
 assign (resid 8 and name n ) (resid 8 and name ca) 
        (resid 8 and name c ) (resid 9 and name n )   1.0  140.0 20.0 2

 assign (resid 9 and name n ) (resid 9 and name ca) 
        (resid 9 and name c ) (resid 10 and name n )   1.0  140.0 20.0 2

 assign (resid 110 and name n ) (resid 110 and name ca) 
        (resid 110 and name c ) (resid 111 and name n )   1.0  90.0 20.0 2
 
  
  !!    l11
 assign (resid 11 and name n ) (resid 11 and name ca) 
        (resid 11 and name c ) (resid 12 and name n )   1.0  132.0 20.0 2
 
 
   assign (resid 12 and name n ) (resid 12 and name ca) 
        (resid 12 and name c ) (resid 13 and name n )   1.0  130.0 20.0 2

! from crystal
 assign (resid 13 and name n ) (resid 13 and name ca) 
        (resid 13 and name c ) (resid 14 and name n )   1.0  -180.0 20.0 2
 ! from crystal
 assign (resid 13 and name n ) (resid 13 and name ca) 
        (resid 13 and name c ) (resid 14 and name n )   1.0  -180.0 20.0 2
! from crystal
 assign (resid 14 and name n ) (resid 14 and name ca) 
        (resid 14 and name c ) (resid 15 and name n )   1.0  180.0 20.0 2
! from crystal 
 assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name c ) (resid 16 and name n )   1.0  120.0 20.0 2
! from crystal 
 assign (resid 16 and name n ) (resid 16 and name ca) 
        (resid 16 and name c ) (resid 17 and name n )   1.0  20.0 20.0 2

   !!    k18
 assign (resid 18 and name n ) (resid 18 and name ca) 
        (resid 18 and name c ) (resid 19 and name n )   1.0  -2.0 40.0 2
  !!    r20

 assign (resid 19 and name n ) (resid 19 and name ca) 
        (resid 19 and name c ) (resid 20 and name n )   1.0   150.0 20.0 2

 assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name c ) (resid 21 and name n )   1.0  150.0 20.0 2

 assign (resid 21 and name n ) (resid 21 and name ca) 
        (resid 21 and name c ) (resid 22 and name n )   1.0  150.0 20.0 2


 assign (resid 26 and name n ) (resid 26 and name ca) 
        (resid 26 and name c ) (resid 27 and name n )  1.0 100.0 20.0 2

 assign (resid 27 and name n ) (resid 27 and name ca) 
        (resid 27 and name c ) (resid 28 and name n )  1.0 130.0 20.0 2


 assign (resid 30 and name n ) (resid 30 and name ca) 
        (resid 30 and name c ) (resid 31 and name n )  1.0 -80.0 20.0 2


 assign (resid 31 and name n ) (resid 31 and name ca) 
        (resid 31 and name c ) (resid 32 and name n )  1.0  10.0 30.0 2  
  
 assign (resid 31 and name n ) (resid 31 and name ca) 
        (resid 31 and name c ) (resid 32 and name n )  1.0 -11.0 40.0 2

 assign (resid 34 and name n ) (resid 34 and name ca) 
        (resid 34 and name c ) (resid 35 and name n )  1.0  100.0 20.0 2


 assign (resid 35 and name n ) (resid 35 and name ca) 
        (resid 35 and name c ) (resid 36 and name n )  1.0 130.0 20.0 2

 assign (resid 36 and name n ) (resid 36 and name ca) 
        (resid 36 and name c ) (resid 37 and name n )  1.0 128.0 40.0 2
 
 
 assign (resid 39 and name n ) (resid 39 and name ca) 
        (resid 39 and name c ) (resid 40 and name n )  1.0 -15.0 20.0 2

 assign (resid 40 and name n ) (resid 40 and name ca) 
        (resid 40 and name c ) (resid 41 and name n )  1.0 -35.0 20.0 2

 assign (resid 42 and name n ) (resid 42 and name ca) 
        (resid 42 and name c ) (resid 43 and name n )  1.0 -40.0 20.0 2
   !!    r43
 assign (resid 43 and name n ) (resid 43 and name ca) 
        (resid 43 and name c ) (resid 44 and name n )  1.0 -20.0 40.0 2
  !!    q45
 assign (resid 45 and name n ) (resid 45 and name ca) 
        (resid 45 and name c ) (resid 46 and name n )  1.0 -19.0 40.0 2

 assign (resid 46 and name n ) (resid 46 and name ca) 
        (resid 46 and name c ) (resid 47 and name n )  1.0  -10.0 20.0 2

 assign (resid 48 and name n ) (resid 48 and name ca) 
        (resid 48 and name c ) (resid 49 and name n )  1.0  -50.0 20.0 2

! from talos and crystal
 assign (resid 49 and name n ) (resid 49 and name ca) 
        (resid 49 and name c ) (resid 50 and name n )  1.0  30.0 20.0 2

 assign (resid 50 and name n ) (resid 50 and name ca) 
        (resid 50 and name c ) (resid 51 and name n )   1.0  115.0 40.0 2


 assign (resid 51 and name n ) (resid 51 and name ca) 
        (resid 51 and name c ) (resid 52 and name n )   1.0  30.0 20.0 2

 assign (resid 58 and name n ) (resid 58 and name ca) 
        (resid 58 and name c ) (resid 59 and name n )   1.0  131.0 50.0 2


 assign (resid 61 and name n ) (resid 61 and name ca) 
        (resid 61 and name c ) (resid 62 and name n )   1.0  160.0 20.0 2

 assign (resid 62 and name n ) (resid 62 and name ca) 
        (resid 62 and name c ) (resid 63 and name n )   1.0  170.0 20.0 2

 assign (resid 63 and name n ) (resid 63 and name ca) 
        (resid 63 and name c ) (resid 64 and name n )   1.0  60.0 20.0 2

 assign (resid 64 and name n ) (resid 64 and name ca) 
        (resid 64 and name c ) (resid 65 and name n )   1.0  30.0 20.0 2

 assign (resid 65 and name n ) (resid 65 and name ca) 
        (resid 65 and name c ) (resid 66 and name n )   1.0  140.0 20.0 2


 assign (resid 66 and name n ) (resid 66 and name ca) 
        (resid 66 and name c ) (resid 67 and name n )   1.0  130.0 20.0 2

 assign (resid 67 and name n ) (resid 67 and name ca) 
        (resid 67 and name c ) (resid 68 and name n )   1.0  130.0 20.0 2

! 68 from crystal
 assign (resid 68 and name n ) (resid 68 and name ca) 
        (resid 68 and name c ) (resid 69 and name n )   1.0  -40.0 20.0 2

 assign (resid 69 and name n ) (resid 69 and name ca) 
        (resid 69 and name c ) (resid 70 and name n )   1.0  140.0 20.0 2

! 70 from crystal
 assign (resid 70 and name n ) (resid 69 and name ca) 
        (resid 70 and name c ) (resid 70 and name n )   1.0  110.0 20.0 2

 assign (resid 72 and name n ) (resid 72 and name ca) 
        (resid 72 and name c ) (resid 73 and name n )   1.0  120.0 20.0 2

 assign (resid 73 and name n ) (resid 73 and name ca) 
        (resid 73 and name c ) (resid 74 and name n )   1.0  90.0 20.0 2

 assign (resid 75 and name n ) (resid 75 and name ca) 
        (resid 75 and name c ) (resid 76 and name n )   1.0  138.8 40.0 2

 assign (resid 76 and name n ) (resid 76 and name ca) 
        (resid 76 and name c ) (resid 77 and name n )   1.0  10 20.0 2

 assign (resid 77 and name n ) (resid 77 and name ca) 
        (resid 77 and name c ) (resid 78 and name n )   1.0  -40.0 20.0 2


 assign (resid 79 and name n ) (resid 79 and name ca) 
        (resid 79 and name c ) (resid 80 and name n )   1.0  140.0 20.0 2

 assign (resid 80 and name n ) (resid 80 and name ca) 
        (resid 80 and name c ) (resid 81 and name n )   1.0  140.0 20.0 2

 assign (resid 81 and name n ) (resid 81 and name ca) 
        (resid 81 and name c ) (resid 82 and name n )   1.0   140.0 20.0 2

 assign (resid 82 and name n ) (resid 82 and name ca) 
        (resid 82 and name c ) (resid 83 and name n )   1.0   120.0 20.0 2

 assign (resid 90 and name n ) (resid 90 and name ca) 
        (resid 90 and name c ) (resid 91 and name n )  1.0 139.0 40.0 2
   !!    f91
 assign (resid 91 and name n ) (resid 91 and name ca) 
        (resid 91 and name c ) (resid 92 and name n )   1.0  124.0 60.0 2

 
  !!    l3
 assign (resid  102  and name c ) (resid  103  and name n ) 
        (resid  103  and name ca) (resid  103  and name c )   1.0  -120.0 60.0 2
  !!    d4
 assign (resid  103  and name c ) (resid  104  and name n ) 
        (resid  104  and name ca) (resid  104  and name c )   1.0  -100.0 60.0 2
  !!    l5
 assign (resid  104  and name c ) (resid  105  and name n ) 
        (resid  105  and name ca) (resid  105  and name c )   1.0  -90.0 60.0 2
  !!    d6
 assign (resid  105  and name c ) (resid  106  and name n ) 
        (resid  106  and name ca) (resid  106  and name c )   1.0  -140.0 60.0 2
  !!    v7
 assign (resid  106  and name c ) (resid  107  and name n ) 
        (resid  107  and name ca) (resid  107  and name c )   1.0  -120.0 30.0 2
   !!    r8
 assign (resid  107  and name c ) (resid  108  and name n ) 
        (resid  108  and name ca) (resid  108  and name c )   1.0  -50.0 20.0 2
   !!    t9
 assign (resid  108  and name c ) (resid  109  and name n ) 
        (resid  109  and name ca) (resid  109  and name c )   1.0  -80.0 90.0 2
   !!    c10
 assign (resid  109  and name c ) (resid  110  and name n ) 
        (resid  110  and name ca) (resid  110  and name c )   1.0  -53.0 20.0 2
   !!    l11
 assign (resid 110 and name c ) (resid 111 and name n ) 
        (resid 111 and name ca) (resid 111 and name c )   1.0  -10.0 20.0 2
 

 assign (resid  112 and name c ) (resid  113  and name n ) 
        (resid  113 and name ca) (resid  113  and name c )   1.0  -140.0 30.0 2

  !! from crystal structure
assign (resid 113 and name c ) (resid 114  and name n ) 
        (resid 114 and name ca) (resid 114  and name c )   1.0   54.0 20.0 2
  !! from crystal structure 
assign (resid 114 and name c ) (resid 115  and name n ) 
        (resid 115 and name ca) (resid 115  and name c )   1.0  -40.0 20.0 2
  !! from crystal structure
assign (resid 115 and name c ) (resid 116  and name n ) 
        (resid 116 and name ca) (resid 116  and name c )   1.0   63.0 20.0 2
  
   !!    k18
 assign (resid 117 and name c ) (resid 118 and name n ) 
        (resid 118 and name ca) (resid 118 and name c )   1.0  -70.0 20.0 2

 assign (resid 118 and name c ) (resid 119 and name n ) 
        (resid 119 and name ca) (resid 119 and name c )   1.0  -100.0 20.0 2

   !!    r20
 assign (resid 119 and name c ) (resid 120 and name n ) 
        (resid 120 and name ca) (resid 120 and name c )   1.0  -130.0 30.0 2
 assign (resid 120 and name c ) (resid 121 and name n ) 
        (resid 121 and name ca) (resid 121 and name c )   1.0  -140.0 30.0 2
   !!    f22
 assign (resid 121 and name c ) (resid 122 and name n ) 
        (resid 122 and name ca) (resid 122 and name c )   1.0  -120.0 60.0 2
   !!    s25
 assign (resid 124 and name c ) (resid 125 and name n ) 
        (resid 125 and name ca) (resid 125 and name c )   1.0  -120.0 30.0 2
   !!    i26
 assign (resid 125 and name c ) (resid 126 and name n ) 
        (resid 126 and name ca) (resid 126 and name c )   1.0  -140.0 20.0 2
   !!    c27
 assign (resid 126 and name c ) (resid 127 and name n ) 
        (resid 127 and name ca) (resid 127 and name c )   1.0  -140.0 20.0 2
   !!    c28
 assign (resid 127 and name c ) (resid 128 and name n ) 
        (resid 128 and name ca) (resid 128 and name c )   1.0  -120.0 40.0 2

  !!     d30
 assign (resid 129  and name c ) (resid 130  and name n ) 
        (resid 130  and name ca) (resid 130  and name c )   1.0  -120.0 60.0 2
   !!    e31

 assign (resid 130 and name c ) (resid 131 and name n ) 
        (resid 131 and name ca) (resid 131 and name c )  1.0  -100.0 20.0 2

 assign (resid 131 and name c ) (resid 132 and name n ) 
        (resid 132 and name ca) (resid 132 and name c )  1.0  -150.0 20.0 2

 assign (resid 133 and name c ) (resid 134 and name n ) 
        (resid 134 and name ca) (resid 134 and name c )   1.0  -130.0 40.0 2
  !!      f35
 assign (resid 134 and name c ) (resid 135 and name n ) 
        (resid 135 and name ca) (resid 135 and name c )  1.0 -100.0 30.0 2
   !!    v36
 assign (resid 135 and name c ) (resid 136 and name n ) 
        (resid 136 and name ca) (resid 136 and name c )  1.0 -103.0 40.0 2
    !!    t38
 assign (resid  137  and name c ) (resid  138  and name n ) 
        (resid  138  and name ca) (resid  138  and name c )   1.0  -90.0 90.0 2
    !!    a39
 assign (resid 138 and name c ) (resid 139 and name n ) 
        (resid 139 and name ca) (resid 139 and name c )   1.0  -64.0 50.0 2
   !!    e40
 assign (resid 139 and name c ) (resid 140 and name n ) 
        (resid 140 and name ca) (resid 140 and name c )  1.0 -63.0 60.0 2
   !!    a41
 assign (resid 140 and name c ) (resid 141 and name n ) 
        (resid 141 and name ca) (resid 141 and name c )   1.0  -120.0 50.0 2
   !!    l42
 assign (resid 141 and name c ) (resid 142 and name n ) 
        (resid 142 and name ca) (resid 142 and name c )   1.0  -61.0 20.0 2
   !!    r43
 assign (resid 142 and name c ) (resid 143 and name n ) 
        (resid 143 and name ca) (resid 143 and name c )  1.0 -79.0 30.0 2
   !!    c44
 assign (resid 143 and name c ) (resid 144 and name n ) 
        (resid 144 and name ca) (resid 144 and name c )   1.0  -100.0 80.0 2
   !!    q45
 assign (resid 144 and name c ) (resid 145 and name n ) 
        (resid 145 and name ca) (resid 145 and name c )  1.0 -70.0 40.0 2
   !!    e46
 assign (resid 145 and name c ) (resid 146 and name n ) 
        (resid 146 and name ca) (resid 146 and name c )   1.0  -110.0 20.0 2
   !!    l50

 assign (resid 146 and name c ) (resid 147 and name n ) 
        (resid 147 and name ca) (resid 147 and name c )   1.0  -70.0 50.0 2

 assign (resid 147 and name c ) (resid 148 and name n ) 
        (resid 148 and name ca) (resid 148 and name c )   1.0  -80.0 20.0 2



 assign (resid 149 and name c ) (resid 150 and name n ) 
        (resid 150 and name ca) (resid 150 and name c )   1.0  -145.0 20.0 2
  !!     q58
 assign (resid 157 and name c ) (resid 158 and name n ) 
        (resid 158 and name ca) (resid 158 and name c )   1.0  -80.0 40.0 2
   !!    k59
 assign (resid 158 and name c ) (resid 159 and name n ) 
        (resid 159 and name ca) (resid 159 and name c )   1.0  -60.0 30.0 2



 assign (resid 160 and name c ) (resid 161 and name n ) 
        (resid 161 and name ca) (resid 161 and name c )   1.0  -120.0 20.0 2

! this 62 is from xray structure
 assign (resid 161 and name c ) (resid 162 and name n ) 
        (resid 162 and name ca) (resid 162 and name c )   1.0   50.0 20.0 2


 assign (resid 162 and name c ) (resid 163 and name n ) 
        (resid 163 and name ca) (resid 163 and name c )   1.0  -65.0 20.0 2

 assign (resid 163 and name c ) (resid 164 and name n ) 
        (resid 164 and name ca) (resid 164 and name c )   1.0  100.0 20.0 2

 assign (resid 164 and name c ) (resid 165 and name n ) 
        (resid 165 and name ca) (resid 165 and name c )   1.0  -125.0 20.0 2

 assign (resid 165 and name c ) (resid 166 and name n ) 
        (resid 166 and name ca) (resid 166 and name c )   1.0 -100.0 20.0 2

 assign (resid 166 and name c ) (resid 167 and name n ) 
        (resid 167 and name ca) (resid 167 and name c )   1.0  -50.0 20.0 2
 assign (resid 168 and name c ) (resid 169 and name n ) 
        (resid 169 and name ca) (resid 169 and name c )   1.0 -117.6 50.0 2
  !!    i72
 assign (resid 171  and name c ) (resid 172  and name n ) 
        (resid 172  and name ca) (resid 172  and name c )   1.0  -120.0 20.0 2
   !!    c73
 assign (resid 172 and name c ) (resid 173 and name n ) 
        (resid 173 and name ca) (resid 173 and name c )   1.0  -90.0 30.0 2
   !!    c74
 assign (resid 173 and name c ) (resid 174 and name n ) 
        (resid 174 and name ca) (resid 174 and name c )   1.0  -120.0 50.0 2
  !!    s75
 assign (resid 174 and name c ) (resid 175 and name n )
        (resid 175 and name ca) (resid 175 and name c )   1.0 -110.7 26.2 2

 assign (resid 175 and name c ) (resid 176 and name n )
        (resid 176 and name ca) (resid 176 and name c )   1.0 -60.0 20.0 2

 assign (resid 176 and name c ) (resid 177 and name n ) 
        (resid 177 and name ca) (resid 177 and name c )   1.0  -125.0 20.0 2
 
 assign (resid 178 and name c ) (resid 179 and name n ) 
        (resid 179 and name ca) (resid 179 and name c )   1.0  -150.0 20.0 2

 assign (resid 179 and name c ) (resid 180 and name n ) 
        (resid 180 and name ca) (resid 180 and name c )   1.0  -150.0 20.0 2

 assign (resid 180 and name c ) (resid 181 and name n ) 
        (resid 181 and name ca) (resid 181 and name c )   1.0 -60.0 30.0 2
   !!    d82
 assign (resid 181 and name c ) (resid 182 and name n ) 
        (resid 182 and name ca) (resid 182 and name c )   1.0  -160.0 20.0 2
   !!    a84
 assign (resid 183 and name c ) (resid 184 and name n ) 
        (resid 184 and name ca) (resid 184 and name c )   1.0  -60.0 30.0 2
!! c85 obtained from 283K hnha
   !!    c85
 assign (resid 184 and name c ) (resid 185 and name n ) 
        (resid 185 and name ca) (resid 185 and name c )   1.0  -120.0 50.0 2

 assign (resid 185 and name c ) (resid 186 and name n ) 
        (resid 186 and name ca) (resid 186 and name c )   1.0  -120.0 50.0 2

  !!    e88
 assign (resid 187 and name c ) (resid 188 and name n ) 
        (resid 188 and name ca) (resid 188 and name c )   1.0  -100.0 80.0 2

  !!    a89
 assign (resid 188 and name c ) (resid 189 and name n ) 
        (resid 189 and name ca) (resid 189 and name c )   1.0  -60.0 30.0 2

  !!    a90
 assign (resid 189 and name c ) (resid 190 and name n ) 
        (resid 190 and name ca) (resid 190 and name c )   1.0  -60.0 30.0 2
    !!    f91
 assign (resid 190 and name c ) (resid 191 and name n ) 
        (resid 191 and name ca) (resid 191 and name c )   1.0  -82.0 20.0 2




!remark psi angles constraints

  !!    l105
!! assign (resid 105 and name n ) (resid 105 and name ca) 
!!        (resid 105 and name c ) (resid 106 and name n )   1.0  138.0 40.0 2
  !!    v107
 assign (resid 107 and name n ) (resid 107 and name ca) 
        (resid 107 and name c ) (resid 108 and name n )   1.0  150.0 20.0 2
 
 
 assign (resid 108 and name n ) (resid 108 and name ca) 
        (resid 108 and name c ) (resid 109 and name n )   1.0  140.0 20.0 2

 assign (resid 109 and name n ) (resid 109 and name ca) 
        (resid 109 and name c ) (resid 110 and name n )   1.0  140.0 20.0 2

 assign (resid 110 and name n ) (resid 110 and name ca) 
        (resid 110 and name c ) (resid 111 and name n )   1.0  90.0 20.0 2
 
  !!    l111
 assign (resid 111 and name n ) (resid 111 and name ca) 
        (resid 111 and name c ) (resid 112 and name n )   1.0  132.0 20.0 2

 assign (resid 112 and name n ) (resid 112 and name ca) 
        (resid 112 and name c ) (resid 113 and name n )   1.0  130.0 20.0 2
! from crystal
 assign (resid 113 and name n ) (resid 113 and name ca) 
        (resid 113 and name c ) (resid 114 and name n )   1.0  -180.0 20.0 2
! from crystal
 assign (resid 114 and name n ) (resid 114 and name ca) 
        (resid 114 and name c ) (resid 115 and name n )   1.0  180.0 20.0 2
! from crystal
 assign (resid 115 and name n ) (resid 115 and name ca) 
        (resid 115 and name c ) (resid 116 and name n )   1.0  120.0 20.0 2
! from crystal
 assign (resid 116 and name n ) (resid 116 and name ca) 
        (resid 116 and name c ) (resid 117 and name n )   1.0  20.0 20.0 2

   !!    k118
 assign (resid 118 and name n ) (resid 118 and name ca) 
        (resid 118 and name c ) (resid 119 and name n )   1.0  -2.0 40.0 2
 
 assign (resid 119 and name c ) (resid 120 and name n ) 
        (resid 120 and name ca) (resid 120 and name c )   1.0  -130.0 20.0 2
 
 assign (resid 120 and name n ) (resid 120 and name ca) 
        (resid 120 and name c ) (resid 121 and name n )   1.0  150.0 20.0 2

 assign (resid 121 and name n ) (resid 121 and name ca) 
        (resid 121 and name c ) (resid 122 and name n )   1.0  150.0 20.0 2

 assign (resid 126 and name n ) (resid 126 and name ca) 
        (resid 126 and name c ) (resid 127 and name n )  1.0 100.0 20.0 2

 assign (resid 127 and name n ) (resid 127 and name ca) 
        (resid 127 and name c ) (resid 128 and name n )  1.0 130.0 20.0 2


 assign (resid 130 and name n ) (resid 130 and name ca) 
        (resid 130 and name c ) (resid 131 and name n )  1.0 -80.0 20.0 2


 assign (resid 131 and name n ) (resid 131 and name ca) 
        (resid 131 and name c ) (resid 132 and name n )  1.0  70.0 20.0 2


 assign (resid 131 and name n ) (resid 131 and name ca) 
        (resid 131 and name c ) (resid 132 and name n )  1.0 -11.0 40.0 2

 assign (resid 134 and name n ) (resid 134 and name ca) 
        (resid 134 and name c ) (resid 135 and name n )  1.0  100.0 20.0 2


 assign (resid 135 and name n ) (resid 135 and name ca) 
        (resid 135 and name c ) (resid 136 and name n )  1.0 130.0 20.0 2

  !!    f135
 assign (resid 135 and name n ) (resid 135 and name ca) 
        (resid 135 and name c ) (resid 136 and name n )  1.0 138.0 40.0 2
  !!    v136
 assign (resid 136 and name n ) (resid 136 and name ca) 
        (resid 136 and name c ) (resid 137 and name n )  1.0 128.0 40.0 2

 assign (resid 139 and name n ) (resid 139 and name ca) 
        (resid 139 and name c ) (resid 140 and name n )  1.0 -15.0 20.0 2

 assign (resid 140 and name n ) (resid 140 and name ca) 
        (resid 140 and name c ) (resid 141 and name n )  1.0 -35.0 20.0 2

 assign (resid 142 and name n ) (resid 142 and name ca) 
        (resid 142 and name c ) (resid 143 and name n )  1.0 -40.0 20.0 2

 assign (resid 143 and name n ) (resid 143 and name ca) 
        (resid 143 and name c ) (resid 144 and name n )  1.0 -20.0 40.0 2

 assign (resid 145 and name n ) (resid 145 and name ca) 
        (resid 145 and name c ) (resid 146 and name n )  1.0 -19.0 40.0 2

 assign (resid 146 and name n ) (resid 146 and name ca) 
        (resid 146 and name c ) (resid 147 and name n )  1.0  -10.0 20.0 2

 assign (resid 148 and name n ) (resid 148 and name ca) 
        (resid 148 and name c ) (resid 149 and name n )  1.0  -50.0 20.0 2

!from crystal and talos
 assign (resid 149 and name n ) (resid 149 and name ca) 
        (resid 149 and name c ) (resid 150 and name n )  1.0  30.0 20.0 2


 assign (resid 150 and name n ) (resid 150 and name ca) 
        (resid 150 and name c ) (resid 151 and name n )   1.0  115.0 40.0 2

 assign (resid 151 and name n ) (resid 151 and name ca) 
        (resid 151 and name c ) (resid 152 and name n )   1.0  30.0 20.0 2

 assign (resid 158 and name n ) (resid 158 and name ca) 
        (resid 158 and name c ) (resid 159 and name n )   1.0  131.0 50.0 2
   !!    r166
 assign (resid 161 and name n ) (resid 161 and name ca) 
        (resid 161 and name c ) (resid 162 and name n )   1.0  160.0 20.0 2

 assign (resid 162 and name n ) (resid 162 and name ca) 
        (resid 162 and name c ) (resid 163 and name n )   1.0  170.0 20.0 2

 assign (resid 163 and name n ) (resid 163 and name ca) 
        (resid 163 and name c ) (resid 164 and name n )   1.0  60.0 20.0 2

 assign (resid 164 and name n ) (resid 164 and name ca) 
        (resid 164 and name c ) (resid 165 and name n )   1.0  30.0 20.0 2

 assign (resid 165 and name n ) (resid 165 and name ca) 
        (resid 165 and name c ) (resid 166 and name n )   1.0  140.0 20.0 2

 assign (resid 166 and name n ) (resid 166 and name ca) 
        (resid 166 and name c ) (resid 167 and name n )   1.0  130.0 20.0 2

 assign (resid 167 and name n ) (resid 167 and name ca) 
        (resid 167 and name c ) (resid 168 and name n )   1.0  130.0 20.0 2

 assign (resid 168 and name n ) (resid 168 and name ca) 
        (resid 168 and name c ) (resid 169 and name n )   1.0  -40.0 20.0 2

 assign (resid 169 and name n ) (resid 169 and name ca) 
        (resid 169 and name c ) (resid 170 and name n )   1.0  140.0 20.0 2

 assign (resid 170 and name n ) (resid 169 and name ca) 
        (resid 170 and name c ) (resid 170 and name n )   1.0  110.0 20.0 2

 assign (resid 172 and name n ) (resid 172 and name ca) 
        (resid 172 and name c ) (resid 173 and name n )   1.0  120.0 20.0 2

 assign (resid 173 and name n ) (resid 173 and name ca) 
        (resid 173 and name c ) (resid 174 and name n )   1.0  90.0 20.0 2


 assign (resid 175 and name n ) (resid 175 and name ca) 
        (resid 175 and name c ) (resid 176 and name n )   1.0  138.8 40.0 2
 
 assign (resid 176 and name n ) (resid 176 and name ca) 
        (resid 176 and name c ) (resid 177 and name n )   1.0  10 20.0 2

 assign (resid 177 and name n ) (resid 177 and name ca) 
        (resid 177 and name c ) (resid 178 and name n )   1.0  -40.0 20.0 2

 assign (resid 179 and name n ) (resid 179 and name ca) 
        (resid 179 and name c ) (resid 180 and name n )   1.0  140.0 20.0 2

 assign (resid 180 and name n ) (resid 180 and name ca) 
        (resid 180 and name c ) (resid 181 and name n )   1.0  140.0 20.0 2

 assign (resid 181 and name n ) (resid 181 and name ca) 
        (resid 181 and name c ) (resid 182 and name n )   1.0   140.0 20.0 2

 assign (resid 182 and name n ) (resid 182 and name ca) 
        (resid 182 and name c ) (resid 183 and name n )   1.0   120.0 20.0 2

 assign (resid 190 and name n ) (resid 190 and name ca) 
        (resid 190 and name c ) (resid 191 and name n )  1.0 139.0 40.0 2
   !!    f191
 assign (resid 191 and name n ) (resid 191 and name ca) 
        (resid 191 and name c ) (resid 192 and name n )   1.0  124.0 60.0 2




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