!  GZ33 RNA / Theophylline Complex
!    base-pair H-Bond restraints.
!
!     ******** strong base-pairs in the lower-stem
!
! Gua 1 - Cyt 33

assign (resid 1 and name n1) (resid 33 and name n3) 2.87 .2 .2
assign (resid 1 and name h1) (resid 33 and name n3) 1.86 0.2 0.2
assign (resid 1 and name o6) (resid 33 and name n4) 2.81 .2 .2
assign (resid 1 and name n2) (resid 33 and name o2) 2.81 .2 .2
assign (resid 1 and name n2) (resid 33 and name n3) 3.58 0.2 0.2
assign (resid 1 and name o6) (resid 33 and name n3) 3.63 0.2 0.2






!
! Gua 2 - Uri 32   *standard anti-anti G-U wobble pair
assign (resid 2 and name O6) (resid 32 and name H3)  1.9 0.1 0.30
assign (resid 2 and name O6) (resid 32 and name N3)  3.0 0.28 0.08
assign (resid 2 and name H1) (resid 32 and name O2)  1.9 0.1 0.30
assign (resid 2 and name N1) (resid 32 and name O2)  3.0 0.28 0.08







!
! Cyt 3 - Gua 31

assign (resid 31 and name n1) (resid 3 and name n3) 2.87 .2 .2
assign (resid 31 and name h1) (resid 3 and name n3) 1.86 0.2 0.2
assign (resid 31 and name o6) (resid 3 and name n4) 2.81 .2 .2
assign (resid 31 and name n2) (resid 3 and name o2) 2.81 .2 .2
assign (resid 31 and name n2) (resid 3 and name n3) 3.58 0.2 0.2
assign (resid 31 and name o6) (resid 3 and name n3) 3.63 0.2 0.2



!
!  ***  Using looser base pairing constraints for the pairs
!		flanking the core region.
!
! Gua 4 - Cyt 30


assign (resid 4 and name n1) (resid 30 and name n3) 2.87 .2 .2
assign (resid 4 and name h1) (resid 30 and name n3) 1.86 0.2 0.2
assign (resid 4 and name o6) (resid 30 and name n4) 2.81 .2 .2
assign (resid 4 and name n2) (resid 30 and name o2) 2.81 .2 .2
assign (resid 4 and name n2) (resid 30 and name n3) 3.58 0.2 0.2
assign (resid 4 and name o6) (resid 30 and name n3) 3.63 0.2 0.2



!
! Ade 5 - Gua 29
!
! Cyt 8 - Gua 26
assign (resid 26 and name n1) (resid 8 and name n3) 2.87 .2 .2
assign (resid 26 and name h1) (resid 8 and name n3) 1.86 0.2 0.2
assign (resid 26 and name o6) (resid 8 and name n4) 2.81 .2 .2
assign (resid 26 and name n2) (resid 8 and name o2) 2.81 .2 .2
assign (resid 26 and name n2) (resid 8 and name n3) 3.58 0.2 0.2
assign (resid 26 and name o6) (resid 8 and name n3) 3.63 0.2 0.2


!
! Cyt 9 - Gua 25
assign (resid 25 and name n1) (resid 9 and name n3) 2.87 .2 .2
assign (resid 25 and name h1) (resid 9 and name n3) 1.86 0.2 0.2
assign (resid 25 and name o6) (resid 9 and name n4) 2.81 .2 .2
assign (resid 25 and name n2) (resid 9 and name o2) 2.81 .2 .2
assign (resid 25 and name n2) (resid 9 and name n3) 3.58 0.2 0.2
assign (resid 25 and name o6) (resid 9 and name n3) 3.63 0.2 0.2


!
! Gua 11 - Cyt 20

assign (resid 11 and name n1) (resid 20 and name n3) 2.87 .2 .2
assign (resid 11 and name h1) (resid 20 and name n3) 1.86 0.2 0.2
assign (resid 11 and name o6) (resid 20 and name n4) 2.81 .2 .2
assign (resid 11 and name n2) (resid 20 and name o2) 2.81 .2 .2
assign (resid 11 and name n2) (resid 20 and name n3) 3.58 0.2 0.2
assign (resid 11 and name o6) (resid 20 and name n3) 3.63 0.2 0.2

!
!     ******** strong base-pairs in the upper-stem
!
! Cyt 12 - Gua 19

assign (resid 19 and name n1) (resid 12 and name n3) 2.87 .2 .2
assign (resid 19 and name h1) (resid 12 and name n3) 1.86 0.2 0.2
assign (resid 19 and name o6) (resid 12 and name n4) 2.81 .2 .2
assign (resid 19 and name n2) (resid 12 and name o2) 2.81 .2 .2
assign (resid 19 and name n2) (resid 12 and name n3) 3.58 0.2 0.2
assign (resid 19 and name o6) (resid 12 and name n3) 3.63 0.2 0.2

!
! Cyt 13 - Gua 18

assign (resid 18 and name n1) (resid 13 and name n3) 2.87 .2 .2
assign (resid 18 and name h1) (resid 13 and name n3) 1.86 0.2 0.2
assign (resid 18 and name o6) (resid 13 and name n4) 2.81 .2 .2
assign (resid 18 and name n2) (resid 13 and name o2) 2.81 .2 .2
assign (resid 18 and name n2) (resid 13 and name n3) 3.58 0.2 0.2
assign (resid 18 and name o6) (resid 13 and name n3) 3.63 0.2 0.2

!
!


!A5-G29