NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
9045 |
1naj   |
5671 | cing | 1-original | 5 | XPLOR/CNS | dipolar coupling |
! residual dipolar restraints
! from less trusting values
! shuld be 1/8 contribution to the force
!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C1' )
( resid 2 and name H1' ) 8.50 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C3' )
( resid 2 and name H3' ) 6.05 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C4' )
( resid 2 and name H4' ) 6.40 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C2' )
( resid 3 and name H2' ) -8.43 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C3' )
( resid 3 and name H3' ) -0.01 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C4' )
( resid 3 and name H4' ) -1.00 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C5' )
( resid 3 and name H5'' ) 18.80 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 8 and name C5' )
( resid 8 and name H5'' ) 14.09 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 10 and name C3' )
( resid 10 and name H3' ) 22.00 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 10 and name C4' )
( resid 10 and name H4' ) 9.86 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C3' )
( resid 11 and name H3' ) 7.73 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C4' )
( resid 11 and name H4' ) 16.00 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C5' )
( resid 11 and name H5'' ) 13.95 0.2000 0.2000
!
! 2nd strand
!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C1' )
( resid 14 and name H1' ) 8.50 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C3' )
( resid 14 and name H3' ) 6.05 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C4' )
( resid 14 and name H4' ) 6.40 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C2' )
( resid 15 and name H2' ) -8.43 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C3' )
( resid 15 and name H3' ) -0.01 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C4' )
( resid 15 and name H4' ) -1.00 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C5' )
( resid 15 and name H5'' ) 18.80 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C5' )
( resid 20 and name H5'' ) 14.09 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C3' )
( resid 22 and name H3' ) 22.00 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C4' )
( resid 22 and name H4' ) 9.86 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C3' )
( resid 23 and name H3' ) 7.73 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C4' )
( resid 23 and name H4' ) 16.00 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C5' )
( resid 23 and name H5'' ) 13.95 0.2000 0.2000
!
! C2'-H2" residual dipolar restraints
!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 1 and name C2' )
( resid 1 and name H2'' ) 1.03 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C2' )
( resid 2 and name H2'' ) -17.53 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C2' )
( resid 3 and name H2'' ) -8.42 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 4 and name C2' )
( resid 4 and name H2'' ) -24.41 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 5 and name C2' )
( resid 5 and name H2'' ) -14.19 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 6 and name C2' )
( resid 6 and name H2'' ) -16.15 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name C2' )
( resid 9 and name H2'' ) -18.20 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 10 and name C2' )
( resid 10 and name H2'' ) -23.86 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C2' )
( resid 11 and name H2'' ) -1.17 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 12 and name C2' )
( resid 12 and name H2'' ) -4.84 0.2000 0.2000
!
! C2'-H2" residual dipolar restraints 2nd Strand
!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 13 and name C2' )
( resid 13 and name H2'' ) 1.03 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C2' )
( resid 14 and name H2'' ) -17.53 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C2' )
( resid 15 and name H2'' ) -8.42 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 16 and name C2' )
( resid 16 and name H2'' ) -24.41 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C2' )
( resid 17 and name H2'' ) -14.19 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name C2' )
( resid 18 and name H2'' ) -16.15 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name C2' )
( resid 21 and name H2'' ) -18.20 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C2' )
( resid 22 and name H2'' ) -23.86 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C2' )
( resid 23 and name H2'' ) -1.17 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C2' )
( resid 24 and name H2'' ) -4.84 0.2000 0.2000
!
! C5'-H5" residual dipolar restraints
!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 1 and name C5' )
( resid 1 and name H5' ) -5.57 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C5' )
( resid 2 and name H5' ) -20.71 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 4 and name C5' )
( resid 4 and name H5' ) -22.05 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 5 and name C5' )
( resid 5 and name H5' ) -18.57 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 6 and name C5' )
( resid 6 and name H5' ) -21.86 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 7 and name C5' )
( resid 7 and name H5' ) -20.23 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name C5' )
( resid 9 and name H5' ) -32.09 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 10 and name C5' )
( resid 10 and name H5' ) -25.94 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 12 and name C5' )
( resid 12 and name H5' ) -28.56 0.2000 0.2000
!
! 2nd Strand
!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 13 and name C5' )
( resid 13 and name H5' ) -5.57 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C5' )
( resid 14 and name H5' ) -20.71 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 16 and name C5' )
( resid 16 and name H5' ) -22.05 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C5' )
( resid 17 and name H5' ) -18.57 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name C5' )
( resid 18 and name H5' ) -21.86 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 19 and name C5' )
( resid 19 and name H5' ) -20.23 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name C5' )
( resid 21 and name H5' ) -32.09 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C5' )
( resid 22 and name H5' ) -25.94 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C5' )
( resid 24 and name H5' ) -28.56 0.2000 0.2000
!First strand
!Base dipolar coupling
!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 1 and name C5 )
( resid 1 and name H5 ) 14.53 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C8 )
( resid 2 and name H8 ) 6.95 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C5 )
( resid 3 and name H5 ) 4.26 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name C5 )
( resid 9 and name H5 ) 8.73 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 10 and name C8 )
( resid 10 and name H8 ) 19.93 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C5 )
( resid 11 and name H5 ) 24.20 0.2000 0.2000
!2nd strand
!Base dipolar coupling
!
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 13 and name C5 )
( resid 13 and name H5 ) 14.53 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name C8 )
( resid 14 and name H8 ) 6.95 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C5 )
( resid 15 and name H5 ) 4.26 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name C5 )
( resid 21 and name H5 ) 8.73 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C8 )
( resid 22 and name H8 ) 19.93 0.2000 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C5 )
( resid 23 and name H5 ) 24.20 0.2000 0.2000
Contact the webmaster for help, if required. Saturday, April 27, 2024 4:37:35 PM GMT (wattos1)