NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
9047 |
1naj   |
5671 | cing | 1-original | 7 | XPLOR/CNS | dipolar coupling |
!***********************************************************************
!
! C-H Residual dipolar restraints
! from phg sample of DNA198
! Dsplitting = 26.6Hz
!
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 1 and name H6 )
( resid 1 and name C6 ) 9.990 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 1 and name H5 )
( resid 1 and name C5 ) 18.000 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 2 and name H8 )
( resid 2 and name C8 ) 18.130 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name H2 )
( resid 5 and name C2 ) 27.060 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name H8 )
( resid 5 and name C8 ) 27.070 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 7 and name H6 )
( resid 7 and name C6 ) 22.530 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name H6 )
( resid 9 and name C6 ) 26.830 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name H5 )
( resid 9 and name C5 ) 19.030 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name H8 )
( resid 10 and name C8 ) 24.060 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 1 and name H1' )
( resid 1 and name C1' ) 0.560 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 2 and name H1' )
( resid 2 and name C1' ) 20.250 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name H1' )
( resid 5 and name C1' ) 21.900 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 7 and name H1' )
( resid 7 and name C1' ) 19.170 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name H1' )
( resid 9 and name C1' ) 13.740 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name H1' )
( resid 10 and name C1' ) 16.160 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 1 and name H3' )
( resid 1 and name C3' ) -7.650 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 2 and name H3' )
( resid 2 and name C3' ) 4.130 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name H3' )
( resid 5 and name C3' ) 19.570 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 7 and name H3' )
( resid 7 and name C3' ) 17.650 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name H3' )
( resid 9 and name C3' ) 22.200 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name H3' )
( resid 10 and name C3' ) 23.650 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 1 and name H4' )
( resid 1 and name C4' ) 3.620 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 2 and name H4' )
( resid 2 and name C4' ) 2.340 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name H4' )
( resid 5 and name C4' ) -7.620 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 7 and name H4' )
( resid 7 and name C4' ) 11.460 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name H4' )
( resid 9 and name C4' ) 19.260 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name H4' )
( resid 10 and name C4' ) 22.830 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name H6 )
( resid 13 and name C6 ) 9.990 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name H5 )
( resid 13 and name C5 ) 18.000 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name H8 )
( resid 14 and name C8 ) 18.130 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name H2 )
( resid 17 and name C2 ) 27.060 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name H8 )
( resid 17 and name C8 ) 27.070 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name H6 )
( resid 19 and name C6 ) 22.530 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name H6 )
( resid 21 and name C6 ) 26.830 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name H5 )
( resid 21 and name C5 ) 19.030 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name H8 )
( resid 22 and name C8 ) 24.060 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name H1' )
( resid 13 and name C1' ) 0.560 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name H1' )
( resid 14 and name C1' ) 20.250 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name H1' )
( resid 17 and name C1' ) 21.900 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name H1' )
( resid 19 and name C1' ) 19.170 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name H1' )
( resid 21 and name C1' ) 13.740 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name H1' )
( resid 22 and name C1' ) 16.160 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name H3' )
( resid 13 and name C3' ) -7.650 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name H3' )
( resid 14 and name C3' ) 4.130 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name H3' )
( resid 17 and name C3' ) 19.570 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name H3' )
( resid 19 and name C3' ) 17.650 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name H3' )
( resid 21 and name C3' ) 22.200 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name H3' )
( resid 22 and name C3' ) 23.650 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name H4' )
( resid 13 and name C4' ) 3.620 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name H4' )
( resid 14 and name C4' ) 2.340 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name H4' )
( resid 17 and name C4' ) -7.620 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name H4' )
( resid 19 and name C4' ) 11.460 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name H4' )
( resid 21 and name C4' ) 19.260 0.200 0.200
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name H4' )
( resid 22 and name C4' ) 22.830 0.200 0.200
!
! C2'-H2" residual dipolar restraints
!
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 1 and name C2' )
( resid 1 and name H2':H2'') 4.90 0.2000 0.2000
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 2 and name C2' )
( resid 2 and name H2':H2'') -5.51 0.2000 0.2000
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name C2' )
( resid 5 and name H2':H2'') -7.10 0.2000 0.2000
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name C2' )
( resid 9 and name H2':H2'') -16.48 0.2000 0.2000
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name C2' )
( resid 10 and name H2':H2'') -15.21 0.2000 0.2000
!
! C2'-H2" residual dipolar restraints 2nd Strand
!
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name C2' )
( resid 13 and name H2':H2'') 4.90 0.2000 0.2000
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name C2' )
( resid 14 and name H2':H2'') -5.51 0.2000 0.2000
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name C2' )
( resid 17 and name H2':H2'') -7.10 0.2000 0.2000
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name C2' )
( resid 21 and name H2':H2'') -16.48 0.2000 0.2000
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name C2' )
( resid 22 and name H2':H2'') -15.21 0.2000 0.2000
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