NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type
2665 1cej 4437 cing recoord 1-original 8 XPLOR/CNS dihedral angle


!  dihedral angle restraints      X-PLOR format
!
!  chi-1       22 restraints
!  phi         25 restraints
!  psi         33 restraints
!  chi-2        5 restraints
!
!                                                                                   
!  chi-1 restraints                                
assign (resid 15 and name n ) (resid 15 and name ca)
       (resid 15 and name cb) (resid 15 and name cg) 1.0  -60.0  40.0  2 
assign (resid 19 and name n ) (resid 19 and name ca)
       (resid 19 and name cb) (resid 19 and name cg) 1.0  180.0  40.0  2
assign (resid 22 and name n ) (resid 22 and name ca)
       (resid 22 and name cb) (resid 22 and name cg) 1.0  -60.0  40.0  2
assign (resid 23 and name n ) (resid 23 and name ca)
       (resid 23 and name cb) (resid 23 and name cg) 1.0   60.0  40.0  2
assign (resid 30 and name n ) (resid 30 and name ca)
       (resid 30 and name cb) (resid 30 and name sg) 1.0  -60.0  40.0  2
assign (resid 31 and name n ) (resid 31 and name ca)
       (resid 31 and name cb) (resid 31 and name cg) 1.0  -60.0  40.0  2
assign (resid 32 and name n ) (resid 32 and name ca)
       (resid 32 and name cb) (resid 32 and name cg) 1.0  -60.0  40.0  2 
assign (resid 33 and name n ) (resid 33 and name ca)
       (resid 33 and name cb) (resid 33 and name cg) 1.0  -60.0  40.0  2
assign (resid 34 and name n ) (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name cg) 1.0  -60.0  40.0  2
assign (resid 35 and name n ) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg) 1.0   60.0  40.0  2
assign (resid 41 and name n ) (resid 41 and name ca)
       (resid 41 and name cb) (resid 41 and name sg) 1.0  -60.0  40.0  2
assign (resid 42 and name n ) (resid 42 and name ca)
       (resid 42 and name cb) (resid 42 and name cg1) 1.0  -60.0  40.0  2
assign (resid 49 and name n ) (resid 49 and name ca)
       (resid 49 and name cb) (resid 49 and name sg) 1.0  -60.0  40.0  2 
assign (resid 52 and name n ) (resid 52 and name ca)
       (resid 52 and name cb) (resid 52 and name cg) 1.0   60.0  40.0  2
assign (resid 53 and name n ) (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg) 1.0  180.0  40.0  2
assign (resid 56 and name n ) (resid 56 and name ca)
       (resid 56 and name cb) (resid 56 and name sg) 1.0  -60.0  40.0  2
assign (resid 62 and name n ) (resid 62 and name ca)
       (resid 62 and name cb) (resid 62 and name sg) 1.0  180.0  40.0  2
assign (resid 74 and name n ) (resid 74 and name ca)
       (resid 74 and name cb) (resid 74 and name cg1) 1.0  -60.0  40.0  2
assign (resid 76 and name n ) (resid 76 and name ca)
       (resid 76 and name cb) (resid 76 and name sg) 1.0  -60.0  40.0  2
assign (resid 78 and name n ) (resid 78 and name ca)
       (resid 78 and name cb) (resid 78 and name sg) 1.0  -60.0  40.0  2
assign (resid 87 and name n ) (resid 87 and name ca)
       (resid 87 and name cb) (resid 87 and name cg) 1.0  -60.0  40.0  2
assign (resid 92 and name n ) (resid 92 and name ca)
       (resid 92 and name cb) (resid 92 and name sg) 1.0  -60.0  40.0  2
!  phi restraints
assign (resid 14 and name c ) (resid 15 and name n )
       (resid 15 and name ca) (resid 15 and name c ) 1.0   60.0  50.0  2 !HN(CO)HB
assign (resid 18 and name c ) (resid 19 and name n )
       (resid 19 and name ca) (resid 19 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.9 Hz
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  70.0  2 !HNHA 7.6 Hz
assign (resid 29 and name c ) (resid 30 and name n )
       (resid 30 and name ca) (resid 30 and name c ) 1.0  -78.0  50.0  2
assign (resid 31 and name c ) (resid 32 and name n )
       (resid 32 and name ca) (resid 32 and name c ) 1.0  -84.0  50.0  2
assign (resid 32 and name c ) (resid 33 and name n )
       (resid 33 and name ca) (resid 33 and name c ) 1.0   60.0  50.0  2 !HN(CO)HB
assign (resid 33 and name c ) (resid 34 and name n )
       (resid 34 and name ca) (resid 34 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.2 Hz
assign (resid 34 and name c ) (resid 35 and name n )
       (resid 35 and name ca) (resid 35 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.45 Hz
assign (resid 36 and name c ) (resid 37 and name n )
       (resid 37 and name ca) (resid 37 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.6 Hz
assign (resid 38 and name c ) (resid 39 and name n )
       (resid 39 and name ca) (resid 39 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.6 Hz
assign (resid 39 and name c ) (resid 40 and name n )
       (resid 40 and name ca) (resid 40 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.3 Hz
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 !HNHA 8.8 Hz
assign (resid 41 and name c ) (resid 42 and name n )
       (resid 42 and name ca) (resid 42 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.5 Hz
assign (resid 49 and name c ) (resid 50 and name n )
       (resid 50 and name ca) (resid 50 and name c ) 1.0  -75.0  50.0  2
assign (resid 50 and name c ) (resid 51 and name n )
       (resid 51 and name ca) (resid 51 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.5 Hz
assign (resid 52 and name c ) (resid 53 and name n )
       (resid 53 and name ca) (resid 53 and name c ) 1.0   60.0  50.0  2 !HN(CO)HB
assign (resid 55 and name c ) (resid 56 and name n ) 
       (resid 56 and name ca) (resid 56 and name c ) 1.0  -60.0  50.0  2 !HNHA 5.0 Hz
assign (resid 58 and name c ) (resid 59 and name n )
       (resid 59 and name ca) (resid 59 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.8 Hz
assign (resid 59 and name c ) (resid 60 and name n ) 
       (resid 60 and name ca) (resid 60 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.2 Hz
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  50.0  2 !HNHA 8.1 Hz
assign (resid 61 and name c ) (resid 62 and name n )
       (resid 62 and name ca) (resid 62 and name c ) 1.0 -150.0  70.0  2 !HNHA 7.9 Hz
assign (resid 62 and name c ) (resid 63 and name n )
       (resid 63 and name ca) (resid 63 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.7 Hz
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
assign (resid 74 and name c ) (resid 75 and name n )
       (resid 75 and name ca) (resid 75 and name c ) 1.0 -120.0  50.0  2 !HNHA 9.15 Hz
assign (resid 76 and name c ) (resid 77 and name n )
       (resid 77 and name ca) (resid 77 and name c ) 1.0 -120.0  50.0  2 !HNHA 8.2 Hz
!  psi restraints
assign (resid 15 and name n ) (resid 15 and name ca)
       (resid 15 and name c ) (resid 16 and name n ) 1.0   50.0  50.0  2
assign (resid 19 and name n ) (resid 19 and name ca)
       (resid 19 and name c ) (resid 20 and name n ) 1.0  120.0  75.0  2
assign (resid 25 and name n ) (resid 25 and name ca)
       (resid 25 and name c ) (resid 26 and name n ) 1.0  120.0  75.0  2
assign (resid 27 and name n ) (resid 27 and name ca)
       (resid 27 and name c ) (resid 28 and name n ) 1.0  120.0  75.0  2
assign (resid 28 and name n ) (resid 28 and name ca)
       (resid 28 and name c ) (resid 29 and name n ) 1.0  120.0  75.0  2
assign (resid 29 and name n ) (resid 29 and name ca)
       (resid 29 and name c ) (resid 30 and name n ) 1.0  120.0  60.0  2
assign (resid 30 and name n ) (resid 30 and name ca)
       (resid 30 and name c ) (resid 31 and name n ) 1.0  125.0  75.0  2
assign (resid 31 and name n ) (resid 31 and name ca)
       (resid 31 and name c ) (resid 32 and name n ) 1.0  120.0  75.0  2
assign (resid 32 and name n ) (resid 32 and name ca)
       (resid 32 and name c ) (resid 33 and name n ) 1.0  174.0  50.0  2
assign (resid 33 and name n ) (resid 33 and name ca)
       (resid 33 and name c ) (resid 34 and name n ) 1.0   60.0  50.0  2
assign (resid 34 and name n ) (resid 34 and name ca)
       (resid 34 and name c ) (resid 35 and name n ) 1.0  159.0  50.0  2
assign (resid 35 and name n ) (resid 35 and name ca)
       (resid 35 and name c ) (resid 36 and name n ) 1.0  156.0  50.0  2 
assign (resid 36 and name n ) (resid 36 and name ca)
       (resid 36 and name c ) (resid 37 and name n ) 1.0  120.0  60.0  2
assign (resid 37 and name n ) (resid 37 and name ca)
       (resid 37 and name c ) (resid 38 and name n ) 1.0  120.0  60.0  2
assign (resid 40 and name n ) (resid 40 and name ca)
       (resid 40 and name c ) (resid 41 and name n ) 1.0  120.0  60.0  2
assign (resid 41 and name n ) (resid 41 and name ca)
       (resid 41 and name c ) (resid 42 and name n ) 1.0  120.0  60.0  2
assign (resid 42 and name n ) (resid 42 and name ca)
       (resid 42 and name c ) (resid 43 and name n ) 1.0  120.0  60.0  2
assign (resid 43 and name n ) (resid 43 and name ca)
       (resid 43 and name c ) (resid 44 and name n ) 1.0  120.0  60.0  2
assign (resid 45 and name n ) (resid 45 and name ca)
       (resid 45 and name c ) (resid 46 and name n ) 1.0  -60.0  50.0  2 !HNHB
assign (resid 51 and name n ) (resid 51 and name ca)
       (resid 51 and name c ) (resid 52 and name n ) 1.0  120.0  75.0  2
assign (resid 53 and name n ) (resid 53 and name ca)
       (resid 53 and name c ) (resid 54 and name n ) 1.0   50.0  50.0  2
assign (resid 58 and name n ) (resid 58 and name ca)
       (resid 58 and name c ) (resid 59 and name n ) 1.0  -60.0  50.0  2 !HNHB
assign (resid 59 and name n ) (resid 59 and name ca)
       (resid 59 and name c ) (resid 60 and name n ) 1.0   33.0  50.0  2
assign (resid 60 and name n ) (resid 60 and name ca)
       (resid 60 and name c ) (resid 61 and name n ) 1.0  162.0  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  120.0  60.0  2
assign (resid 62 and name n ) (resid 62 and name ca)
       (resid 62 and name c ) (resid 63 and name n ) 1.0  120.0  60.0  2
assign (resid 63 and name n ) (resid 63 and name ca)
       (resid 63 and name c ) (resid 64 and name n ) 1.0  165.0  50.0  2
assign (resid 74 and name n ) (resid 74 and name ca)
       (resid 74 and name c ) (resid 75 and name n ) 1.0  120.0  60.0  2
assign (resid 75 and name n ) (resid 75 and name ca)
       (resid 75 and name c ) (resid 76 and name n ) 1.0  120.0  60.0  2
assign (resid 76 and name n ) (resid 76 and name ca)
       (resid 76 and name c ) (resid 77 and name n ) 1.0  120.0  60.0  2
assign (resid 78 and name n ) (resid 78 and name ca)
       (resid 78 and name c ) (resid 79 and name n ) 1.0  120.0  60.0  2
assign (resid 83 and name n ) (resid 83 and name ca)
       (resid 83 and name c ) (resid 84 and name n ) 1.0  120.0  60.0  2
assign (resid 92 and name n ) (resid 92 and name ca)
       (resid 92 and name c ) (resid 93 and name n ) 1.0  120.0  75.0  2
! chi-2 restraints
assign (resid  2 and name ca) (resid  2 and name cb)
       (resid  2 and name cg1) (resid  2 and name cd1) 1.0  -60.0  40.0  2 !LRCH
assign (resid 31 and name ca) (resid 31 and name cb)
       (resid 31 and name cg) (resid 31 and name cd1) 1.0  180.0  40.0  2 !LRCH 
assign (resid 32 and name ca) (resid 32 and name cb)
       (resid 32 and name cg) (resid 32 and name cd1) 1.0  180.0  40.0  2 !LRCH 
assign (resid 74 and name ca) (resid 74 and name cb) 
       (resid 74 and name cg1) (resid 74 and name cd1) 1.0  -60.0  40.0  2 !LRCH
assign (resid 90 and name ca) (resid 90 and name cb)
       (resid 90 and name cg1) (resid 90 and name cd1) 1.0  180.0  40.0  2 !LRCH





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