NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
631351 |
5yey   |
36116 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
# Restraints file 3: dihe.tbl
!Chi dihedral
!
!! 1 syn
assign ( resid 1 and name O4' )
( resid 1 and name C1' )
( resid 1 and name N9 )
( resid 1 and name C4 ) 1 60.0 30.0 2
!! 2 anti
assign ( resid 2 and name O4' )
( resid 2 and name C1' )
( resid 2 and name N9 )
( resid 2 and name C4 ) 1 240.0 40.0 2
!! 3 anti
assign ( resid 3 and name O4' )
( resid 3 and name C1' )
( resid 3 and name N9 )
( resid 3 and name C4 ) 1 240.0 40.0 2
!! 7 syn
assign ( resid 7 and name O4' )
( resid 7 and name C1' )
( resid 7 and name N9 )
( resid 7 and name C4 ) 1 60.0 30.0 2
!! 8 syn
assign ( resid 8 and name O4' )
( resid 8 and name C1' )
( resid 8 and name N9 )
( resid 8 and name C4 ) 1 60.0 30.0 2
!! 9 anti
assign ( resid 9 and name O4' )
( resid 9 and name C1' )
( resid 9 and name N9 )
( resid 9 and name C4 ) 1 240.0 40.0 2
!! 13 syn
assign ( resid 13 and name O4' )
( resid 13 and name C1' )
( resid 13 and name N9 )
( resid 13 and name C4 ) 1 60.0 30.0 2
!! 14 anti
assign ( resid 14 and name O4' )
( resid 14 and name C1' )
( resid 14 and name N9 )
( resid 14 and name C4 ) 1 240.0 40.0 2
!! 15 anti
assign ( resid 15 and name O4' )
( resid 15 and name C1' )
( resid 15 and name N9 )
( resid 15 and name C4 ) 1 240.0 40.0 2
!! 19 syn
assign ( resid 19 and name O4' )
( resid 19 and name C1' )
( resid 19 and name N9 )
( resid 19 and name C4 ) 1 60.0 30.0 2
!! 20 syn
assign ( resid 20 and name O4' )
( resid 20 and name C1' )
( resid 20 and name N9 )
( resid 20 and name C4 ) 1 60.0 30.0 2
!!21 anti
assign ( resid 21 and name O4' )
( resid 21 and name C1' )
( resid 21 and name N9 )
( resid 21 and name C4 ) 1 240.0 40.0 2
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Chi dihedral
!
!! 1 syn
assign ( resid 1 and name H1' )
( resid 1 and name C1' )
( resid 1 and name N9 )
( resid 1 and name C4 ) 1 180.0 30.0 2
!! 2 anti
assign ( resid 2 and name H1' )
( resid 2 and name C1' )
( resid 2 and name N9 )
( resid 2 and name C4 ) 1 0.0 40.0 2
!! 3 anti
assign ( resid 3 and name H1' )
( resid 3 and name C1' )
( resid 3 and name N9 )
( resid 3 and name C4 ) 1 0.0 40.0 2
!! 7 syn
assign ( resid 7 and name H1' )
( resid 7 and name C1' )
( resid 7 and name N9 )
( resid 7 and name C4 ) 1 180.0 30.0 2
!! 8 syn
assign ( resid 8 and name H1' )
( resid 8 and name C1' )
( resid 8 and name N9 )
( resid 8 and name C4 ) 1 180.0 30.0 2
!! 9 anti
assign ( resid 9 and name H1' )
( resid 9 and name C1' )
( resid 9 and name N9 )
( resid 9 and name C4 ) 1 0.0 40.0 2
!! 13 syn
assign ( resid 13 and name H1' )
( resid 13 and name C1' )
( resid 13 and name N9 )
( resid 13 and name C4 ) 1 180.0 30.0 2
!! 14 anti
assign ( resid 14 and name H1' )
( resid 14 and name C1' )
( resid 14 and name N9 )
( resid 14 and name C4 ) 1 0.0 40.0 2
!! 15 anti
assign ( resid 15 and name H1' )
( resid 15 and name C1' )
( resid 15 and name N9 )
( resid 15 and name C4 ) 1 0.0 40.0 2
!! 19 syn
assign ( resid 19 and name H1' )
( resid 19 and name C1' )
( resid 19 and name N9 )
( resid 19 and name C4 ) 1 180.0 30.0 2
!! 20 syn
assign ( resid 20 and name H1' )
( resid 20 and name C1' )
( resid 20 and name N9 )
( resid 20 and name C4 ) 1 180.0 30.0 2
!!21 anti
assign ( resid 21 and name H1' )
( resid 21 and name C1' )
( resid 21 and name N9 )
( resid 21 and name C4 ) 1 0.0 40.0 2
!!!!!!!!!!!! T !!!!!!!!!!!
!! 4
assign ( resid 4 and name O4' )
( resid 4 and name C1' )
( resid 4 and name N1 )
( resid 4 and name C2 ) 1 240.0 40.0 2 !!( 40.0)
assign ( resid 4 and name H1' )
( resid 4 and name C1' )
( resid 4 and name N1 )
( resid 4 and name C2 ) 1 0.0 40.0 2
!! 5
assign ( resid 5 and name O4' )
( resid 5 and name C1' )
( resid 5 and name N1 )
( resid 5 and name C2 ) 1 240.0 40.0 2 !!( 40.0)
assign ( resid 5 and name H1' )
( resid 5 and name C1' )
( resid 5 and name N1 )
( resid 5 and name C2 ) 1 0.0 40.0 2
!! 6
assign ( resid 6 and name O4' )
( resid 6 and name C1' )
( resid 6 and name N9 )
( resid 6 and name C4 ) 1 240.0 40.0 2
assign ( resid 6 and name H1' )
( resid 6 and name C1' )
( resid 6 and name N9 )
( resid 6 and name C4 ) 1 0.0 40.0 2
!! 10
assign ( resid 10 and name O4' )
( resid 10 and name C1' )
( resid 10 and name N1 )
( resid 10 and name C2 ) 1 240.0 40.0 2
assign ( resid 10 and name H1' )
( resid 10 and name C1' )
( resid 10 and name N1 )
( resid 10 and name C2 ) 1 0.0 40.0 2
!! 11
assign ( resid 11 and name O4' )
( resid 11 and name C1' )
( resid 11 and name N1 )
( resid 11 and name C2 ) 1 240.0 40.0 2
assign ( resid 11 and name H1' )
( resid 11 and name C1' )
( resid 11 and name N1 )
( resid 11 and name C2 ) 1 0.0 40.0 2
!! 12
assign ( resid 12 and name O4' )
( resid 12 and name C1' )
( resid 12 and name N9 )
( resid 12 and name C4 ) 1 240.0 40.0 2 !!( 40.0)
assign ( resid 12 and name H1' )
( resid 12 and name C1' )
( resid 12 and name N9 )
( resid 12 and name C4 ) 1 0.0 40.0 2
!! 16
assign ( resid 16 and name O4' )
( resid 16 and name C1' )
( resid 16 and name N1 )
( resid 16 and name C2 ) 1 240.0 40.0 2
assign ( resid 16 and name H1' )
( resid 16 and name C1' )
( resid 16 and name N1 )
( resid 16 and name C2 ) 1 0.0 40.0 2
!! 17
assign ( resid 17 and name O4' )
( resid 17 and name C1' )
( resid 17 and name N1 )
( resid 17 and name C2 ) 1 240.0 40.0 2
assign ( resid 17 and name H1' )
( resid 17 and name C1' )
( resid 17 and name N1 )
( resid 17 and name C2 ) 1 0.0 40.0 2
!! 18
assign ( resid 18 and name O4' )
( resid 18 and name C1' )
( resid 18 and name N1 )
( resid 18 and name C2 ) 1 240.0 40.0 2 !!( 40.0)
assign ( resid 18 and name H1' )
( resid 18 and name C1' )
( resid 18 and name N1 )
( resid 18 and name C2 ) 1 0.0 40.0 2
!!!!!!!!!!!!!!!!!!!!!!!!!
! e dihedral
!
!! 1
assign ( resid 1 and name C4' )
( resid 1 and name C3' )
( resid 1 and name O3' )
( resid 2 and name P ) 1 225.0 75.0 2
!! 2
assign ( resid 2 and name C4' )
( resid 2 and name C3' )
( resid 2 and name O3' )
( resid 3 and name P ) 1 225.0 75.0 2
!! 3
assign ( resid 3 and name C4' )
( resid 3 and name C3' )
( resid 3 and name O3' )
( resid 4 and name P ) 1 225.0 75.0 2
!! 4
assign ( resid 4 and name C4' )
( resid 4 and name C3' )
( resid 4 and name O3' )
( resid 5 and name P ) 1 225.0 75.0 2
!! 5
assign ( resid 5 and name C4' )
( resid 5 and name C3' )
( resid 5 and name O3' )
( resid 6 and name P ) 1 225.0 75.0 2
!! 6
assign ( resid 6 and name C4' )
( resid 6 and name C3' )
( resid 6 and name O3' )
( resid 7 and name P ) 1 225.0 75.0 2
!! 7
assign ( resid 7 and name C4' )
( resid 7 and name C3' )
( resid 7 and name O3' )
( resid 8 and name P ) 1 225.0 75.0 2
!! 8
assign ( resid 8 and name C4' )
( resid 8 and name C3' )
( resid 8 and name O3' )
( resid 9 and name P ) 1 225.0 75.0 2
!! 9
assign ( resid 9 and name C4' )
( resid 9 and name C3' )
( resid 9 and name O3' )
( resid 10 and name P ) 1 225.0 75.0 2
!! 10
assign ( resid 10 and name C4' )
( resid 10 and name C3' )
( resid 10 and name O3' )
( resid 11 and name P ) 1 225.0 75.0 2
!! 11
assign ( resid 11 and name C4' )
( resid 11 and name C3' )
( resid 11 and name O3' )
( resid 12 and name P ) 1 225.0 75.0 2
!! 12
assign ( resid 12 and name C4' )
( resid 12 and name C3' )
( resid 12 and name O3' )
( resid 13 and name P ) 1 225.0 75.0 2
!! 13
assign ( resid 13 and name C4' )
( resid 13 and name C3' )
( resid 13 and name O3' )
( resid 14 and name P ) 1 225.0 75.0 2
!! 14
assign ( resid 14 and name C4' )
( resid 14 and name C3' )
( resid 14 and name O3' )
( resid 15 and name P ) 1 225.0 75.0 2
!! 15
assign ( resid 15 and name C4' )
( resid 15 and name C3' )
( resid 15 and name O3' )
( resid 16 and name P ) 1 225.0 75.0 2
!! 16
assign ( resid 16 and name C4' )
( resid 16 and name C3' )
( resid 16 and name O3' )
( resid 17 and name P ) 1 225.0 75.0 2
!! 17
assign ( resid 17 and name C4' )
( resid 17 and name C3' )
( resid 17 and name O3' )
( resid 18 and name P ) 1 225.0 75.0 2
!! 18
assign ( resid 18 and name C4' )
( resid 18 and name C3' )
( resid 18 and name O3' )
( resid 19 and name P ) 1 225.0 75.0 2
!! 19
assign ( resid 19 and name C4' )
( resid 19 and name C3' )
( resid 19 and name O3' )
( resid 20 and name P ) 1 225.0 75.0 2
!! 20
assign ( resid 20 and name C4' )
( resid 20 and name C3' )
( resid 20 and name O3' )
( resid 21 and name P ) 1 225.0 75.0 2
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