NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9046 | 1naj | 5671 | cing | 1-original | 6 | XPLOR/CNS | dipolar coupling |
!proton-proton dipolar couplings from ! Bax's HH COSY data ! measured in bicelle liquid crystalline medium !! H1'(i ) to H5'(i+1 ) ! strong ! |D| > 7 ! medium ! 3 < D < 7 ! Dipolar coupling restraints used as absolute value. 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 ! ! 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 ! 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 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 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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 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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 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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 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