NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
3553 |
1duf   |
cing | 1-original | 4 | XPLOR/CNS | dipolar coupling |
!dipolar_ribose_nico.tbl
!sugars CH dipolar class I
!First strand DC correct. version
!
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 C1' )
( resid 1 and name H1' ) 2.01 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 1 and name C2' )
( resid 1 and name H2' ) 5.25 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 1 and name C3' )
( resid 1 and name H3' ) -5.99 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 1 and name C4' )
( resid 1 and name H4' ) 3.41 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 1 and name C5' )
( resid 1 and name H5'' ) 1.71 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 2 and name C2' )
( resid 2 and name H2' ) 10.83 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'' ) 15.03 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 3 and name C1' )
( resid 3 and name H1' ) 0.48 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 C1' )
( resid 4 and name H1' ) 13.61 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' ) 9.98 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 C3' )
( resid 4 and name H3' ) 18.65 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 C4' )
( resid 4 and name H4' ) -4.77 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'' ) 18.06 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 C1' )
( resid 5 and name H1' ) 18.58 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' ) 12.07 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 C3' )
( resid 5 and name H3' ) 15.87 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 C4' )
( resid 5 and name H4' ) -4.40 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 5 and name C5' )
( resid 5 and name H5'' ) 9.09 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 6 and name C1' )
( resid 6 and name H1' ) 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 6 and name C2' )
( resid 6 and name H2' ) 16.24 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 C3' )
( resid 6 and name H3' ) 12.84 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 C4' )
( resid 6 and name H4' ) 5.09 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 6 and name C5' )
( resid 6 and name H5'' ) 10.31 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 C1' )
( resid 7 and name H1' ) 9.97 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 C2' )
( resid 7 and name H2' ) 5.24 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 C3' )
( resid 7 and name H3' ) 7.63 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 C4' )
( resid 7 and name H4' ) 7.02 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'' ) 17.22 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 C1' )
( resid 8 and name H1' ) 10.31 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 C2' )
( resid 8 and name H2' ) 8.65 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 C3' )
( resid 8 and name H3' ) 15.48 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 C4' )
( resid 8 and name H4' ) 7.05 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 9 and name C1' )
( resid 9 and name H1' ) 8.16 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' ) 3.38 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 C3' )
( resid 9 and name H3' ) 17.76 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 C4' )
( resid 9 and name H4' ) 7.63 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'' ) 15.59 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 C1' )
( resid 10 and name H1' ) 15.35 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' ) 15.15 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 10 and name C5' )
( resid 10 and name H5'' ) 9.92 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 C1' )
( resid 11 and name H1' ) 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 11 and name C2' )
( resid 11 and name H2' ) 12.74 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 C1' )
( resid 12 and name H1' ) 11.02 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' ) 11.72 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 C3' )
( resid 12 and name H3' ) 3.39 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 C4' )
( resid 12 and name H4' ) 13.79 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'' ) 7.71 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 C1' )
( resid 13 and name H1' ) 2.01 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 13 and name C2' )
( resid 13 and name H2' ) 5.25 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 13 and name C3' )
( resid 13 and name H3' ) -5.99 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 13 and name C4' )
( resid 13 and name H4' ) 3.41 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 13 and name C5' )
( resid 13 and name H5'' ) 1.71 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 14 and name C2' )
( resid 14 and name H2' ) 10.83 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'' ) 15.03 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 15 and name C1' )
( resid 15 and name H1' ) 0.48 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 C1' )
( resid 16 and name H1' ) 13.61 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' ) 9.98 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 C3' )
( resid 16 and name H3' ) 18.65 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 C4' )
( resid 16 and name H4' ) -4.77 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'' ) 18.06 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 C1' )
( resid 17 and name H1' ) 18.58 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' ) 12.07 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 C3' )
( resid 17 and name H3' ) 15.87 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 C4' )
( resid 17 and name H4' ) -4.40 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 17 and name C5' )
( resid 17 and name H5'' ) 9.09 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 18 and name C1' )
( resid 18 and name H1' ) 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 18 and name C2' )
( resid 18 and name H2' ) 16.24 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 C3' )
( resid 18 and name H3' ) 12.84 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 C4' )
( resid 18 and name H4' ) 5.09 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 18 and name C5' )
( resid 18 and name H5'' ) 10.31 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 C1' )
( resid 19 and name H1' ) 9.97 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 C2' )
( resid 19 and name H2' ) 5.24 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 C3' )
( resid 19 and name H3' ) 7.63 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 C4' )
( resid 19 and name H4' ) 7.02 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'' ) 17.22 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 C1' )
( resid 20 and name H1' ) 10.31 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 C2' )
( resid 20 and name H2' ) 8.65 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 C3' )
( resid 20 and name H3' ) 15.48 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 C4' )
( resid 20 and name H4' ) 7.05 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 21 and name C1' )
( resid 21 and name H1' ) 8.16 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' ) 3.38 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 C3' )
( resid 21 and name H3' ) 17.76 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 C4' )
( resid 21 and name H4' ) 7.63 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'' ) 15.59 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 C1' )
( resid 22 and name H1' ) 15.35 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' ) 15.15 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 22 and name C5' )
( resid 22 and name H5'' ) 9.92 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 C1' )
( resid 23 and name H1' ) 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 23 and name C2' )
( resid 23 and name H2' ) 12.74 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 C1' )
( resid 24 and name H1' ) 11.02 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' ) 11.72 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 C3' )
( resid 24 and name H3' ) 3.39 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 C4' )
( resid 24 and name H4' ) 13.79 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'' ) 7.71 0.2000 0.2000
!dipolar_base.tbl
!dipolar CH base class I
!
!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 C6 )
( resid 1 and name H6 ) 5.24 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 C6 )
( resid 3 and name H6 ) 17.95 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 4 and name C8 )
( resid 4 and name H8 ) 24.20 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 5 and name C2 )
( resid 5 and name H2 ) 21.36 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 C8 )
( resid 5 and name H8 ) 22.31 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 ) 22.99 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 C8 )
( resid 6 and name H8 ) 17.73 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 7 and name C6 )
( resid 7 and name H6 ) 10.68 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 C6 )
( resid 8 and name H6 ) 23.52 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 C6 )
( resid 9 and name H6 ) 23.52 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 C6 )
( resid 11 and name H6 ) 10.86 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 12 and name C8 )
( resid 12 and name H8 ) 2.42 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 C6 )
( resid 13 and name H6 ) 5.24 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 C6 )
( resid 15 and name H6 ) 17.95 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 16 and name C8 )
( resid 16 and name H8 ) 24.20 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 17 and name C2 )
( resid 17 and name H2 ) 21.36 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 C8 )
( resid 17 and name H8 ) 22.31 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 ) 22.99 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 C8 )
( resid 18 and name H8 ) 17.73 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 19 and name C6 )
( resid 19 and name H6 ) 10.68 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 C6 )
( resid 20 and name H6 ) 23.52 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 C6 )
( resid 21 and name H6 ) 23.52 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 C6 )
( resid 23 and name H6 ) 10.86 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 24 and name C8 )
( resid 24 and name H8 ) 2.42 0.2000 0.2000
!dipolar_imino.tbl
!base imino dipolar
!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 2 and name N1 )
( resid 2 and name H1 ) 7.26 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 4 and name N1 )
( resid 4 and name H1 ) 12.94 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 7 and name N3 )
( resid 7 and name H3 ) 4.72 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 N3 )
( resid 8 and name H3 ) 9.82 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 N1 )
( resid 10 and name H1 ) 7.11 0.2000 0.2000
!
!opposite 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 N1 )
( resid 14 and name H1 ) 7.26 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 16 and name N1 )
( resid 16 and name H1 ) 12.94 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 19 and name N3 )
( resid 19 and name H3 ) 4.72 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 N3 )
( resid 20 and name H3 ) 9.82 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 N1 )
( resid 22 and name H1 ) 7.11 0.2000 0.2000
!dipolar_methyl.tbl
!base methyl dipolar
!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 7 and name C5 )
( resid 7 and name CM ) 14.82 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 CM ) 11.03 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 19 and name C5 )
( resid 19 and name CM ) 14.82 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 CM ) 11.03 0.2000 0.2000
!dipolar_ribose_add.tbl
!sugars CH dipolar class II
! 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' ) 5.03 0.2000 0.2000
!The new value is checked by looking at the spectrum of the
!overlapping peaks and carefully measuring their distance
!with Bax
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' ) 12.26 0.2000 0.2000
!
!The new value is checked by looking at the spectrum of the
!overlapping peaks and carefully measuring their distance
!with Bax
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' ) 5.03 0.2000 0.2000
!
!The new value is checked by looking at the spectrum of the
!overlapping peaks and carefully measuring their distance
!with Bax
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' ) 12.26 0.2000 0.2000
!
!The new value is checked by looking at the spectrum of the
!overlapping peaks and carefully measuring their distance
!with Bax
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
!dipolar_c2.tbl
!sugar C2'-H2'' dipolar class II
!
! 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
!dipolar_c5_nico.tbl
!sugars C5'-H5' dipolar class II
!
! 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
!dipolar_base_add.tbl
!base Ch dipolar class II
!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
!HH_dipolar.tbl
!proton-proton dipolar no sign
! Bax's HH COSY data
!
!! H1'(i ) to H5'(i+1 )
! strong
! |D| > 7
! medium
! 3 < D < 7
! weak
!
!! H1' to H4'
!strong
!medium
!
!weak
!
!missing
!
!
!
!
!
!
!
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 H2' )
( resid 2 and name H8 ) 7.50 2.50 2.50
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 H2' )
( resid 14 and name H8 ) 7.50 2.50 2.50
!
!
!
!
!
!
!
!
!
!
!
!
!
!
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 H1' )
( resid 12 and name H8 ) 6.00 2.00 2.00
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 H1' )
( resid 24 and name H8 ) 6.00 2.00 2.00
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 H1' )
( resid 12 and name H8 ) 6.00 2.00 2.00
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 H1' )
( resid 24 and name H8 ) 6.00 2.00 2.00
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 H1' )
( resid 2 and name H8 ) 6.00 2.00 2.00
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 H1' )
( resid 14 and name H8 ) 6.00 2.00 2.00
!
!
!
!
!
!
!HH_dipolar_sign.tbl
!proton-proton dipolars with sign
! Bax's HH COSY data
!
!sign matters
!! H2' to H3'
!
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 H2' )
( resid 1 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 13 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 3 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 15 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 5 and name H3' ) -6.00 5.00 5.00
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 H2' )
( resid 17 and name H3' ) -6.00 5.00 5.00
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 H2' )
( resid 6 and name H3' ) -6.00 6.00 6.00
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 H2' )
( resid 18 and name H3' ) -6.00 6.00 6.00
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 H2' )
( resid 7 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 19 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 8 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 20 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 11 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 23 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 12 and name H3' ) 0.00 0.00 20.00
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 H2' )
( resid 24 and name H3' ) 0.00 0.00 20.00
!sign matters
!! from H2'' to H3'
!
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 H2'' )
( resid 1 and name H3' ) -3.00 5.00 5.00
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 H2'' )
( resid 13 and name H3' ) -3.00 5.00 5.00
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 H2'' )
( resid 3 and name H3' ) -2.30 5.00 5.00
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 H2'' )
( resid 15 and name H3' ) -2.30 5.00 5.00
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 H2'' )
( resid 5 and name H3' ) -1.50 5.00 5.00
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 H2'' )
( resid 17 and name H3' ) -1.50 5.00 5.00
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 H2'' )
( resid 6 and name H3' ) -1.50 5.00 5.00
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 H2'' )
( resid 18 and name H3' ) -1.50 5.00 5.00
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 H2'' )
( resid 7 and name H3' ) -2.20 5.00 5.00
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 H2'' )
( resid 19 and name H3' ) -2.20 5.00 5.00
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 H2'' )
( resid 8 and name H3' ) -1.60 5.00 5.00
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 H2'' )
( resid 20 and name H3' ) -1.60 5.00 5.00
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 H2'' )
( resid 11 and name H3' ) 5.00 3.00 3.00
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 H2'' )
( resid 23 and name H3' ) 5.00 3.00 3.00
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 H2'' )
( resid 12 and name H3' ) -3.60 4.00 4.00
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 H2'' )
( resid 24 and name H3' ) -3.60 4.00 4.00
!
!!H1' to H2'/H2''
!
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 H1' )
( resid 1 and name H2' ) -8.00 4.00 4.00
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 H1' )
( resid 1 and name H2'' ) -13.00 3.00 3.00
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 H1' )
( resid 13 and name H2' ) -8.00 4.00 4.00
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 H1' )
( resid 13 and name H2'' ) -13.00 3.00 3.00
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 H1' )
( resid 2 and name H2' ) -4.00 3.00 3.00
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 H1' )
( resid 2 and name H2'' ) -12.00 4.00 4.00
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 H1' )
( resid 14 and name H2' ) -4.00 3.00 3.00
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 H1' )
( resid 14 and name H2'' ) -12.00 4.00 4.00
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 H1' )
( resid 3 and name H2' ) -9.00 5.00 5.00
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 H1' )
( resid 3 and name H2'' ) -12.0 3.00 3.00
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 H1' )
( resid 15 and name H2' ) -9.00 5.00 5.00
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 H1' )
( resid 15 and name H2'' ) -12.00 3.00 3.00
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 H1' )
( resid 4 and name H2' ) 2.00 5.00 5.00
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 H1' )
( resid 4 and name H2'' ) -5.00 5.00 5.00
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 H1' )
( resid 16 and name H2' ) 2.00 5.00 5.00
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 H1' )
( resid 16 and name H2'' ) -5.00 5.00 5.00
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 H1' )
( resid 5 and name H2' ) 5.00 5.00 5.00
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 H1' )
( resid 5 and name H2'' ) -6.00 5.00 5.00
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 H1' )
( resid 17 and name H2' ) 5.00 5.00 5.00
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 H1' )
( resid 17 and name H2'' ) -6.00 5.00 5.00
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 H1' )
( resid 6 and name H2' ) 1.00 5.00 5.00
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 H1' )
( resid 6 and name H2'' ) -6.00 5.00 5.00
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 H1' )
( resid 18 and name H2' ) 1.00 5.00 5.00
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 H1' )
( resid 18 and name H2'' ) -6.00 5.00 5.00
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 H1' )
( resid 7 and name H2' ) -1.50 3.00 3.00
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 H1' )
( resid 7 and name H2'' ) -11.00 3.00 3.00
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 H1' )
( resid 19 and name H2' ) -1.50 3.00 3.00
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 H1' )
( resid 19 and name H2'' ) -11.00 3.00 3.00
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 H1' )
( resid 8 and name H2' ) 2.50 4.00 4.00
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 H1' )
( resid 8 and name H2'' ) -6.00 5.00 5.00
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 H1' )
( resid 20 and name H2' ) 2.50 4.00 4.00
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 H1' )
( resid 20 and name H2'' ) -6.00 5.00 5.00
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 H1' )
( resid 10 and name H2' ) 5.00 7.00 7.00
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 H1' )
( resid 10 and name H2'' ) -5.50 5.00 5.00
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 H1' )
( resid 22 and name H2' ) 5.00 7.00 7.00
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 H1' )
( resid 22 and name H2'' ) -5.50 5.00 5.00
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 H1' )
( resid 11 and name H2' ) 0.60 4.00 4.00
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 H1' )
( resid 11 and name H2'' ) -16.00 4.00 4.00
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 H1' )
( resid 23 and name H2' ) 0.60 4.00 4.00
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 H1' )
( resid 23 and name H2'' ) -16.00 4.00 4.00
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 H1' )
( resid 12 and name H2' ) -1.00 3.00 3.00
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 H1' )
( resid 12 and name H2'' ) -16.00 4.00 4.00
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 H1' )
( resid 24 and name H2' ) -1.00 3.00 3.00
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 H1' )
( resid 24 and name H2'' ) -16.00 4.00 4.00
!HH_dipolar_sign2.tbl
!proton-proton dipolar whose signs were
!determined after the structure was
!refined
! Bax's HH COSY data
!
!! H1'(i ) to H5'(i+1 )
! strong
! |D| > 7
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 H1' )
( resid 3 and name H5' ) 7.00 0.50 20.00
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 H1' )
( resid 15 and name H5' ) 7.00 0.50 20.00
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 H1' )
( resid 7 and name H5' ) 7.00 0.00 20.00
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 H1' )
( resid 19 and name H5' ) 7.00 0.00 20.00
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 H1' )
( resid 8 and name H5' ) 7.00 0.00 20.00
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 H1' )
( resid 20 and name H5' ) 7.00 0.00 20.00
! medium
! 3 < D < 7
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 H1' )
( resid 2 and name H5' ) 5.00 2.00 2.00
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 H1' )
( resid 14 and name H5' ) 5.00 2.00 2.00
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 H1' )
( resid 4 and name H5' ) 5.00 2.00 2.00
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 H1' )
( resid 16 and name H5' ) 5.00 2.00 2.00
! weak
!
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 H1' )
( resid 5 and name H5' ) 6.00 6.00 0.00
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 H1' )
( resid 17 and name H5' ) 6.00 6.00 0.00
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 H1' )
( resid 6 and name H5' ) 6.00 6.00 0.00
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 H1' )
( resid 18 and name H5' ) 6.00 6.00 0.00
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 H1' )
( resid 9 and name H5' ) 6.00 6.00 0.00
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 H1' )
( resid 21 and name H5' ) 6.00 6.00 0.00
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 H1' )
( resid 11 and name H5' ) 0.00 6.00 6.00
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 H1' )
( resid 23 and name H5' ) 0.00 6.00 6.00
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 H1' )
( resid 12 and name H5' ) 0.00 6.00 6.00
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 H1' )
( resid 24 and name H5' ) 0.00 6.00 6.00
!! H1' to H4'
!strong
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 H1' )
( resid 3 and name H4' ) 6.00 0.00 20.00
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 H1' )
( resid 15 and name H4' ) 6.00 0.00 20.00
!medium
!
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 H1' )
( resid 12 and name H4' ) 5.00 2.00 2.00
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 H1' )
( resid 24 and name H4' ) 5.00 2.00 2.00
!weak
!
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 H1' )
( resid 11 and name H4' ) 6.00 6.00 0.00
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 H1' )
( resid 23 and name H4' ) 6.00 6.00 0.00
!missing
!
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 H1' )
( resid 1 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 13 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 2 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 14 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 4 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 16 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 5 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 17 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 8 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 20 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 10 and name H4' ) 0.00 5.00 5.00
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 H1' )
( resid 22 and name H4' ) 0.00 5.00 5.00
!
!
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 H8 )
( resid 7 and name H5# ) -9.00 20.00 0.00
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 H8 )
( resid 19 and name H5# ) -9.00 20.00 0.00
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 H6 )
( resid 7 and name H5# ) 7.50 0.00 20.00
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 H6 )
( resid 19 and name H5# ) 7.50 0.00 20.00
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 H6 )
( resid 8 and name H5# ) -9.00 20.00 0.00
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 H6 )
( resid 20 and name H5# ) -9.00 20.00 0.00
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 H6 )
( resid 8 and name H5# ) 6.00 0.00 20.00
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 H6 )
( resid 20 and name H5# ) 6.00 0.00 20.00
!
!
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 H2' )
( resid 12 and name H8 ) 0.00 5.00 5.00
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 H2' )
( resid 24 and name H8 ) 0.00 5.00 5.00
!
!
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 H2'' )
( resid 12 and name H8 ) -5.50 2.50 2.50
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 H2'' )
( resid 24 and name H8 ) -5.50 2.50 2.50
!
!
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 H2' )
( resid 6 and name H8 ) 6.00 0.00 20.00
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 H2' )
( resid 18 and name H8 ) 6.00 0.00 20.00
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 H2'' )
( resid 5 and name H8 ) 5.00 3.00 3.00
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 H2'' )
( resid 17 and name H8 ) 5.00 3.00 3.00
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 H2' )
( resid 4 and name H8 ) 8.00 0.00 20.00
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 H2' )
( resid 16 and name H8 ) 8.00 0.00 20.00
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 H2'' )
( resid 4 and name H8 ) 0.00 5.00 5.00
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 H2'' )
( resid 16 and name H8 ) 0.00 5.00 5.00
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 H2'' )
( resid 4 and name H8 ) -6.00 20.00 0.00
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 H2'' )
( resid 16 and name H8 ) -6.00 20.00 0.00
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 H2' )
( resid 4 and name H8 ) 0.00 5.00 5.00
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 H2' )
( resid 16 and name H8 ) 0.00 5.00 5.00
!
!
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 H2' )
( resid 1 and name H6 ) 5.00 0.00 20.00
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 H2' )
( resid 13 and name H6 ) 5.00 0.00 20.00
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 H2'' )
( resid 1 and name H6 ) 4.00 4.00 0.00
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 H2'' )
( resid 13 and name H6 ) 4.00 4.00 0.00
!
!
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 H2' )
( resid 8 and name H6 ) 5.00 5.00 0.00
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 H2' )
( resid 20 and name H6 ) 5.00 5.00 0.00
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 H2' )
( resid 8 and name H6 ) -5.00 3.00 2.00
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 H2' )
( resid 20 and name H6 ) -5.00 3.00 2.00
!
!
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 H2' )
( resid 11 and name H6 ) -5.00 0.00 5.00
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 H2' )
( resid 23 and name H6 ) -5.00 0.00 5.00
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 H2'' )
( resid 11 and name H6 ) 0.00 5.00 5.00
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 H2'' )
( resid 23 and name H6 ) 0.00 5.00 5.00
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 H2' )
( resid 11 and name H6 ) 0.00 5.00 5.00
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 H2' )
( resid 23 and name H6 ) 0.00 5.00 5.00
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 H2'' )
( resid 11 and name H6 ) 0.00 5.00 5.00
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 H2'' )
( resid 23 and name H6 ) 0.00 5.00 5.00
!
!
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 H2' )
( resid 3 and name H6 ) 7.00 3.00 3.00
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 H2' )
( resid 15 and name H6 ) 7.00 3.00 3.00
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 H2'' )
( resid 3 and name H6 ) 0.00 6.00 6.00
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 H2'' )
( resid 15 and name H6 ) 0.00 6.00 6.00
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 H2' )
( resid 3 and name H6 ) 0.00 6.00 6.00
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 H2' )
( resid 15 and name H6 ) 0.00 6.00 6.00
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 H2'' )
( resid 3 and name H6 ) 0.00 6.00 6.00
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 H2'' )
( resid 15 and name H6 ) 0.00 6.00 6.00
!
!
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 H2'' )
( resid 7 and name H6 ) -7.00 20.00 0.00
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 H2'' )
( resid 19 and name H6 ) -7.00 20.00 0.00
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 H2'' )
( resid 7 and name H6 ) 0.00 5.00 5.00
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 H2'' )
( resid 19 and name H6 ) 0.00 5.00 5.00
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 H2' )
( resid 7 and name H6 ) 0.00 5.00 5.00
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 H2' )
( resid 19 and name H6 ) 0.00 5.00 5.00
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 H2' )
( resid 7 and name H6 ) 4.00 1.00 3.00
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 H2' )
( resid 19 and name H6 ) 4.00 1.00 3.00
!
!
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 H1' )
( resid 5 and name H8 ) -5.00 20.00 0.00
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 H1' )
( resid 17 and name H8 ) -5.00 20.00 0.00
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 H1' )
( resid 6 and name H8 ) 0.00 5.00 5.00
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 H1' )
( resid 18 and name H8 ) 0.00 5.00 5.00
!
!
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 H8 )
( resid 3 and name H5 ) 0.00 5.00 5.00
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 H8 )
( resid 15 and name H5 ) 0.00 5.00 5.00
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 H8 )
( resid 11 and name H5 ) -6.00 2.00 2.00
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 H8 )
( resid 23 and name H5 ) -6.00 2.00 2.00
!
!
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 H1' )
( resid 4 and name H8 ) 0.00 4.00 4.00
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 H1' )
( resid 16 and name H8 ) 0.00 4.00 4.00
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 H1' )
( resid 4 and name H8 ) -6.00 2.00 2.00
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 H1' )
( resid 16 and name H8 ) -6.00 2.00 2.00
!
!
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 H1' )
( resid 8 and name H6 ) 0.00 4.00 4.00
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 H1' )
( resid 20 and name H6 ) 0.00 4.00 4.00
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 H1' )
( resid 8 and name H6 ) -4.50 1.50 1.50
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 H1' )
( resid 20 and name H6 ) -4.50 1.50 1.50
!
!
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 H1' )
( resid 3 and name H6 ) -6.00 2.00 2.00
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 H1' )
( resid 15 and name H6 ) -6.00 2.00 2.00
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 H1' )
( resid 7 and name H6 ) -7.50 2.50 2.50
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 H1' )
( resid 19 and name H6 ) -7.50 2.50 2.50
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 H1' )
( resid 7 and name H6 ) 0.00 5.00 5.00
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 H1' )
( resid 19 and name H6 ) 0.00 5.00 5.00
Contact the webmaster for help, if required. Friday, April 19, 2024 3:51:55 PM GMT (wattos1)