NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
2797 1cld cing 1-original 7 XPLOR/CNS dihedral angle


!! Phi restraints: minimum deviation = +/- 25 degrees

!    95  
assign (resid  94 and name c )   (resid   95 and name n ) 
       (resid  95 and name ca)   (resid   95 and name c )  1.0 -120.0 55.0 2
!    96 
assign (resid  95 and name c )   (resid   96 and name n ) 
       (resid  96 and name ca)   (resid   96 and name c )  1.0 -55.0 25.0 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 -60.0 25.0 2
!    99  
assign (resid  97 and name c )   (resid   98 and name n ) 
       (resid  98 and name ca)   (resid   98 and name c )  1.0 -55.0 25.0 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 -60.0 25.0 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 -90.0 30.0 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 60.0 25.0 2
!   103 
assign (resid 102 and name c )   (resid  103 and name n ) 
       (resid 103 and name ca)   (resid  103 and name c )  1.0 -90.0 30.0 2
!   104
assign (resid 103 and name c )   (resid  104 and name n ) 
       (resid 104 and name ca)   (resid  104 and name c )  1.0 60.0 25.0 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 -105.0 25.0 2
!   106 
assign (resid 105 and name c )   (resid  106 and name n ) 
       (resid 106 and name ca)   (resid  106 and name c )  1.0 -80.0 40.0 2
!   107 
assign (resid 106 and name c )   (resid  107 and name n ) 
       (resid 107 and name ca)   (resid  107 and name c )  1.0 60.0 25.0 2
!   108
assign (resid 107 and name c )   (resid  108 and name n ) 
       (resid 108 and name ca)   (resid  108 and name c )  1.0 -120.0 30.0 2
!   109
assign (resid 108 and name c )   (resid  109 and name n ) 
       (resid 109 and name ca)   (resid  109 and name c )  1.0 -120.0 30.0 2
!   111
assign (resid 110 and name c )   (resid  111 and name n ) 
       (resid 111 and name ca)   (resid  111 and name c )  1.0 -120.0 30.0 2
!   112
assign (resid 111 and name c )   (resid  112 and name n ) 
       (resid 112 and name ca)   (resid  112 and name c )  1.0 -60.0 25.0 2
!   113
assign (resid 112 and name c )   (resid  113 and name n ) 
       (resid 113 and name ca)   (resid  113 and name c )  1.0 -70.0 30.0 2
!   114
assign (resid 113 and name c )   (resid  114 and name n ) 
       (resid 114 and name ca)   (resid  114 and name c )  1.0 -70.0 30.0 2
!   115
assign (resid 114 and name c )   (resid  115 and name n ) 
       (resid 115 and name ca)   (resid  115 and name c )  1.0 -70.0 25.0 2
!   116
assign (resid 115 and name c )   (resid  116 and name n ) 
       (resid 116 and name ca)   (resid  116 and name c )  1.0 -60.0 25.0 2
!   117
assign (resid 116 and name c )   (resid  117 and name n ) 
       (resid 117 and name ca)   (resid  117 and name c )  1.0 -75.0 25.0 2
!   118  
assign (resid 117 and name c )   (resid  118 and name n ) 
       (resid 118 and name ca)   (resid  118 and name c )  1.0 -55.0 30.0 2
!   119 
assign (resid 118 and name c )   (resid  119 and name n ) 
       (resid 119 and name ca)   (resid  119 and name c )  1.0 60.0 25.0 2
!   120
assign (resid 119 and name c )   (resid  120 and name n ) 
       (resid 120 and name ca)   (resid  120 and name c )  1.0 -120.0 30.0 2
!   121
assign (resid 120 and name c )   (resid  121 and name n ) 
       (resid 121 and name ca)   (resid  121 and name c )  1.0 -80.0 30.0 2
!   122 
assign (resid 121 and name c )   (resid  122 and name n ) 
       (resid 122 and name ca)   (resid  122 and name c )  1.0 -80.0 25.0 2
!   123 
assign (resid 122 and name c )   (resid  123 and name n ) 
       (resid 123 and name ca)   (resid  123 and name c )  1.0 -120.0 30.0 2
!   124
assign (resid 123 and name c )   (resid  124 and name n ) 
       (resid 124 and name ca)   (resid  124 and name c )  1.0 -85.0 80.0 2

!! Psi restraints; minimum deviation: +/- 30 degrees

! 95
assign (resid 95 and name n) (resid 95 and name ca)
       (resid 95 and name c) (resid 96 and name n)        1.0 165.0 30.0 2
! 96
assign (resid 96 and name n) (resid 96 and name ca)
       (resid 96 and name c) (resid 97 and name n)        1.0 -5.0 30.0 2
! 98
assign (resid 98 and name n) (resid 98 and name ca)
       (resid 98 and name c) (resid 99 and name n)        1.0 -40.0 35.0 2
! 102
assign (resid 102 and name n) (resid 102 and name ca)
       (resid 102 and name c) (resid 103 and name n)      1.0 50.0 30.0 2
! 104
assign (resid 104 and name n) (resid 104 and name ca)
       (resid 104 and name c) (resid 105 and name n)      1.0 120.0 30.0 2
! 105
assign (resid 105 and name n) (resid 105 and name ca)
       (resid 105 and name c) (resid 106 and name n)      1.0 -155.0 60.0 2
! 107
assign (resid 107 and name n) (resid 107 and name ca)
       (resid 107 and name c) (resid 108 and name n)      1.0 25.0 80.0 2
! 108
assign (resid 108 and name n) (resid 108 and name ca)
       (resid 108 and name c) (resid 109 and name n)      1.0 125.0 30.0 2
! 111
assign (resid 111 and name n) (resid 111 and name ca)
       (resid 111 and name c) (resid 112 and name n)      1.0 140.0 35.0 2
! 112
assign (resid 112 and name n) (resid 112 and name ca)
       (resid 112 and name c) (resid 113 and name n)      1.0 105.0 50.0 2
! 115
assign (resid 115 and name n) (resid 115 and name ca)
       (resid 115 and name c) (resid 116 and name n)      1.0 -25.0 30.0 2
! 116
assign (resid 116 and name n) (resid 116 and name ca)
       (resid 116 and name c) (resid 117 and name n)      1.0 -25.0 60.0 2
! 117
assign (resid 117 and name n) (resid 117 and name ca)
       (resid 117 and name c) (resid 118 and name n)      1.0 -60.0 45.0 2
! 118
assign (resid 118 and name n) (resid 118 and name ca)
       (resid 118 and name c) (resid 119 and name n)      1.0 -25.0 80.0 2
! 119
assign (resid 119 and name n) (resid 119 and name ca)
       (resid 119 and name c) (resid 120 and name n)      1.0 65.0 40.0 2
! 122
assign (resid 122 and name n) (resid 122 and name ca)
       (resid 122 and name c) (resid 123 and name n)      1.0 85.0 30.0 2
! 123
assign (resid 123 and name n) (resid 123 and name ca)
       (resid 123 and name c) (resid 124 and name n)      1.0 105.0 60.0 2
! 124
assign (resid 124 and name n) (resid 124 and name ca)
       (resid 124 and name c) (resid 125 and name n)      1.0 -175.0 30.0 2

!! Chi restraints: minimum deviation: +/- 30 degrees

! 95
assign (resid  95 and name n)    (resid  95 and name ca)
       (resid  95 and name cb)   (resid  95 and name sg) 1.0 75.0 40.0 2
! 96
assign (resid  96 and name n)    (resid  96 and name ca)
       (resid  96 and name cb)   (resid  96 and name cg) 1.0 -70.0 45.0 2
! 98
assign (resid  98 and name n)    (resid  98 and name ca)
       (resid  98 and name cb)   (resid  98 and name sg) 1.0 -65.0 40.0 2
! 105 
assign (resid 105 and name n)    (resid 105 and name ca)
       (resid 105 and name cb)   (resid 105 and name sg) 1.0 -165.0 30.0 2
! 108 
assign (resid 108 and name n)    (resid 108 and name ca)
       (resid 108 and name cb)   (resid 108 and name og1) 1.0 75.0 40.0 2
! 109 
assign (resid 109 and name n)    (resid 108 and name ca)
       (resid 109 and name cb)   (resid 108 and name cg1) 1.0 -105.0 30.0 2
! 112 
assign (resid 112 and name n)    (resid 112 and name ca)
       (resid 112 and name cb)   (resid 112 and name sg) 1.0 90.0 85.0 2
! 115
assign (resid 115 and name n)    (resid 115 and name ca)
       (resid 115 and name cb)   (resid 115 and name sg) 1.0 -60.0 40.0 2
! 117
assign (resid 117 and name n)    (resid 117 and name ca)
       (resid 117 and name cb)   (resid 117 and name cg) 1.0 170.0 30.0 2
! 118
assign (resid 118 and name n)    (resid 118 and name ca)
       (resid 118 and name cb)   (resid 118 and name cg) 1.0 15.0 30.0 2
! 124
assign (resid 124 and name n)    (resid 124 and name ca)
       (resid 124 and name cb)   (resid 124 and name cg) 1.0 -55.0 30.0 2





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