*HEADER    RNA                                     12-DEC-01   1J4Y              
*TITLE     SOLUTION STRUCTURE OF THE UNMODIFIED ANTICODON STEM-LOOP              
*TITLE    2 FROM E. COLI TRNA(PHE)                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTICODON STEM-LOOP OF TRNA(PHE);                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: T7 RNA POLYMERASE IN VITRO TRANSCRIPTION              
*KEYWDS    RNA STEM-LOOP, TRINUCLEOTIDE LOOP, HAIRPIN                            
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    J.CABELLO-VILLEGAS, M.E.WINKLER, E.P.NIKONOWICZ                       
*REVDAT   1   17-JUL-02 1J4Y    0                                                
!
! G1 corresponds to G27 of E.coli tRNA-Phe
!        
!         
!       
!     
!     
!      A9   
!  G8  A10  
!         U7 - A11       
!   U6 - A12  
!   A5 - U13 
!   G4 - C14 
!   G3 - C15 
!   G2 - C16 
!   G1 - C17 
!       5'        3'
! 
!
! Base-pairing constraints for the A37 stemloop
! 
! G1-C17 
! 
assign ( resid 1 and name O6   ) ( resid 17 and name H42  ) 2.00 0.2 0.2
assign ( resid 1 and name O6   ) ( resid 17 and name N4   ) 2.90 0.3 0.3
assign ( resid 1 and name H1   ) ( resid 17 and name N3   ) 2.00 0.2 0.2
assign ( resid 1 and name N1   ) ( resid 17 and name N3   ) 2.90 0.3 0.3
assign ( resid 1 and name H22  ) ( resid 17 and name O2   ) 2.00 0.2 0.2
assign ( resid 1 and name N2   ) ( resid 17 and name O2   ) 2.90 0.3 0.3
! 
! G2-C16 
! 
assign ( resid 2 and name O6   ) ( resid 16 and name H42  ) 2.00 0.2 0.2
assign ( resid 2 and name O6   ) ( resid 16 and name N4   ) 2.90 0.3 0.3
assign ( resid 2 and name H1   ) ( resid 16 and name N3   ) 2.00 0.2 0.2
assign ( resid 2 and name N1   ) ( resid 16 and name N3   ) 2.90 0.3 0.3
assign ( resid 2 and name H22  ) ( resid 16 and name O2   ) 2.00 0.2 0.2
assign ( resid 2 and name N2   ) ( resid 16 and name O2   ) 2.90 0.3 0.3
! 
! G3-C15 
! 
assign ( resid 3 and name O6   ) ( resid 15 and name H42  ) 2.00 0.2 0.2
assign ( resid 3 and name O6   ) ( resid 15 and name N4   ) 2.90 0.3 0.3
assign ( resid 3 and name H1   ) ( resid 15 and name N3   ) 2.00 0.2 0.2
assign ( resid 3 and name N1   ) ( resid 15 and name N3   ) 2.90 0.3 0.3
assign ( resid 3 and name H22  ) ( resid 15 and name O2   ) 2.00 0.2 0.2
assign ( resid 3 and name N2   ) ( resid 15 and name O2   ) 2.90 0.3 0.3
! 
! G4-C14 
! 
assign ( resid 4 and name O6   ) ( resid 14 and name H42  ) 2.00 0.2 0.2
assign ( resid 4 and name O6   ) ( resid 14 and name N4   ) 2.90 0.3 0.3
assign ( resid 4 and name H1   ) ( resid 14 and name N3   ) 2.00 0.2 0.2
assign ( resid 4 and name N1   ) ( resid 14 and name N3   ) 2.90 0.3 0.3
assign ( resid 4 and name H22  ) ( resid 14 and name O2   ) 2.00 0.2 0.2
assign ( resid 4 and name N2   ) ( resid 14 and name O2   ) 2.90 0.3 0.3
! 
! A5-U13
! 
assign ( resid 5 and name H61  ) ( resid 13 and name O4   ) 2.00 0.2 0.2
assign ( resid 5 and name N6   ) ( resid 13 and name O4   ) 2.90 0.3 0.3
assign ( resid 5 and name N1   ) ( resid 13 and name H3   ) 2.00 0.2 0.2
assign ( resid 5 and name N1   ) ( resid 13 and name N3   ) 2.90 0.3 0.3
! 
! U6-A12
! 
assign ( resid 6 and name O4   ) ( resid 12 and name H61  ) 2.00 0.2 0.2
assign ( resid 6 and name O4   ) ( resid 12 and name N6   ) 2.90 0.3 0.3
assign ( resid 6 and name H3   ) ( resid 12 and name N1   ) 2.00 0.2 0.2
assign ( resid 6 and name N3   ) ( resid 12 and name N1   ) 2.90 0.3 0.3
! incluido el 4/16/99
!
!
!U7-A11
!
assign ( resid 7 and name O4   ) ( resid 11 and name H61  ) 2.00 0.2 1.2
assign ( resid 7 and name O4   ) ( resid 11 and name N6   ) 2.90 0.3 1.3
assign ( resid 7 and name H3   ) ( resid 11 and name N1   ) 2.00 0.2 1.2
assign ( resid 7 and name N3   ) ( resid 11 and name N1   ) 2.90 0.3 1.3
! incluido el 5/20/99 y modif 6/06/00

! inter proton distance constraints
assign ( resid 14 and name H42 ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 14 and name H41 ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 14 and name H42 ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 15 and name H41 ) ( resid 14 and name H5 ) 7 7 0
assign ( resid 16 and name H41 ) ( resid 17 and name H42 ) 6 6 0
assign ( resid 16 and name H41 ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 5 and name H62 ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 2 and name H1 ) ( resid 17 and name H42 ) 5 5 0
assign ( resid 2 and name H1 ) ( resid 17 and name H41 ) 5 5 0
assign ( resid 2 and name H1 ) ( resid 16 and name H42 ) 4 4 0
assign ( resid 2 and name H1 ) ( resid 16 and name H41 ) 4 4 0
assign ( resid 2 and name H1 ) ( resid 15 and name H41 ) 7 7 0
assign ( resid 3 and name H1 ) ( resid 16 and name H41 ) 6 6 0
assign ( resid 3 and name H1 ) ( resid 15 and name H42 ) 4 4 0
assign ( resid 3 and name H1 ) ( resid 15 and name H41 ) 4 4 0
assign ( resid 4 and name H1 ) ( resid 15 and name H42 ) 5 5 0
assign ( resid 4 and name H1 ) ( resid 15 and name H41 ) 6 6 0
assign ( resid 4 and name H1 ) ( resid 14 and name H42 ) 4 4 0
assign ( resid 4 and name H1 ) ( resid 14 and name H41 ) 4 4 0
assign ( resid 4 and name H1 ) ( resid 5 and name H62 ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 5 and name H61 ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 3 and name H1 ) 6 6 0
assign ( resid 3 and name H1 ) ( resid 4 and name H1 ) 5 5 0
assign ( resid 4 and name H1 ) ( resid 13 and name H3 ) 7 7 0
assign ( resid 2 and name H1 ) ( resid 16 and name H6 ) 7 7 0
assign ( resid 2 and name H1 ) ( resid 17 and name H6 ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 3 and name H1 ) ( resid 16 and name H6 ) 7 7 0
assign ( resid 3 and name H1 ) ( resid 4 and name H8 ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 14 and name H6 ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 5 and name H2 ) 6 6 0
assign ( resid 4 and name H1 ) ( resid 5 and name H8 ) 7 7 0
assign ( resid 2 and name H1 ) ( resid 16 and name H2'' ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 17 and name H1' ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 3 and name H1' ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 2 and name H1' ) 6 6 0
assign ( resid 3 and name H1 ) ( resid 4 and name H1' ) 5 5 0
assign ( resid 3 and name H1 ) ( resid 3 and name H1' ) 7 7 0
assign ( resid 3 and name H1 ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 14 and name H5 ) 5 5 0
assign ( resid 4 and name H1 ) ( resid 14 and name H1' ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 4 and name H1' ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 5 and name H1' ) 5 5 0
assign ( resid 13 and name H3 ) ( resid 5 and name H61 ) 5 5 0
assign ( resid 13 and name H3 ) ( resid 14 and name H41 ) 7 7 0
assign ( resid 13 and name H3 ) ( resid 14 and name H6 ) 7 7 0
assign ( resid 13 and name H3 ) ( resid 5 and name H2 ) 4 4 0
assign ( resid 13 and name H3 ) ( resid 5 and name H62 ) 5 5 0
assign ( resid 13 and name H3 ) ( resid 14 and name H42 ) 7 7 0
assign ( resid 6 and name H3 ) ( resid 12 and name H2 ) 4 4 0
assign ( resid 1 and name H8 ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 2 and name H8 ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 3 and name H8 ) ( resid 4 and name H8 ) 7 7 0
assign ( resid 4 and name H8 ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H8 ) ( resid 6 and name H6 ) 6 6 0
assign ( resid 7 and name H6 ) ( resid 8 and name H8 ) 6 6 0
assign ( resid 8 and name H8 ) ( resid 9 and name H8 ) 7 7 0
assign ( resid 9 and name H2 ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 10 and name H2 ) ( resid 11 and name H2 ) 7 7 0
assign ( resid 10 and name H2 ) ( resid 11 and name H8 ) 8 8 0
assign ( resid 10 and name H8 ) ( resid 11 and name H8 ) 6 6 0
assign ( resid 11 and name H8 ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 11 and name H2 ) ( resid 12 and name H2 ) 6 6 0
assign ( resid 12 and name H8 ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 13 and name H6 ) ( resid 14 and name H6 ) 7 7 0
assign ( resid 16 and name H6 ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 1 and name H1' ) ( resid 2 and name H8 ) 5 5 0
assign ( resid 1 and name H1' ) ( resid 1 and name H8 ) 5 5 0
assign ( resid 2 and name H1' ) ( resid 2 and name H8 ) 5 5 0
assign ( resid 2 and name H1' ) ( resid 3 and name H8 ) 5 5 0
assign ( resid 3 and name H1' ) ( resid 3 and name H8 ) 5 5 0
assign ( resid 3 and name H1' ) ( resid 4 and name H8 ) 6 6 0
assign ( resid 4 and name H1' ) ( resid 4 and name H8 ) 5 5 0
assign ( resid 4 and name H1' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H1' ) ( resid 5 and name H8 ) 5 5 0
assign ( resid 5 and name H1' ) ( resid 4 and name H8 ) 8 8 0
assign ( resid 5 and name H1' ) ( resid 5 and name H2 ) 6 6 0
assign ( resid 5 and name H1' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 6 and name H5 ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 6 and name H5 ) ( resid 7 and name H6 ) 7 7 0
assign ( resid 6 and name H1' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 6 and name H1' ) ( resid 7 and name H6 ) 5 5 0
assign ( resid 6 and name H1' ) ( resid 5 and name H2 ) 4 4 0
assign ( resid 7 and name H5 ) ( resid 6 and name H6 ) 7 7 0
assign ( resid 7 and name H5 ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 7 and name H1' ) ( resid 7 and name H6 ) 5 5 0
assign ( resid 7 and name H1' ) ( resid 8 and name H8 ) 6 6 0
assign ( resid 7 and name H1' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 7 and name H1' ) ( resid 12 and name H2 ) 4 4 0
assign ( resid 8 and name H1' ) ( resid 9 and name H8 ) 4 4 0
assign ( resid 8 and name H1' ) ( resid 8 and name H8 ) 4 4 0
assign ( resid 8 and name H1' ) ( resid 10 and name H2 ) 7 7 0
assign ( resid 8 and name H1' ) ( resid 11 and name H2 ) 6 6 0
assign ( resid 9 and name H1' ) ( resid 9 and name H8 ) 5 5 0
assign ( resid 9 and name H1' ) ( resid 10 and name H8 ) 5 5 0
assign ( resid 9 and name H1' ) ( resid 9 and name H2 ) 6 6 0
assign ( resid 9 and name H1' ) ( resid 10 and name H2 ) 7 7 0
assign ( resid 10 and name H1' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 10 and name H1' ) ( resid 10 and name H8 ) 4 4 0
assign ( resid 10 and name H1' ) ( resid 11 and name H8 ) 5 5 0
assign ( resid 10 and name H1' ) ( resid 9 and name H2 ) 7 7 0
assign ( resid 10 and name H1' ) ( resid 11 and name H2 ) 7 7 0
assign ( resid 11 and name H1' ) ( resid 11 and name H8 ) 5 5 0
assign ( resid 11 and name H1' ) ( resid 12 and name H8 ) 5 5 0
assign ( resid 11 and name H1' ) ( resid 10 and name H2 ) 5 5 0
assign ( resid 11 and name H1' ) ( resid 10 and name H8 ) 8 8 0
assign ( resid 12 and name H1' ) ( resid 12 and name H8 ) 5 5 0
assign ( resid 12 and name H1' ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 12 and name H1' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 12 and name H1' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 12 and name H1' ) ( resid 11 and name H2 ) 4 4 0
assign ( resid 13 and name H5 ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 13 and name H1' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 13 and name H1' ) ( resid 14 and name H6 ) 6 6 0
assign ( resid 13 and name H1' ) ( resid 12 and name H2 ) 4 4 0
assign ( resid 14 and name H5 ) ( resid 13 and name H6 ) 6 6 0
assign ( resid 14 and name H1' ) ( resid 15 and name H6 ) 6 6 0
assign ( resid 14 and name H1' ) ( resid 14 and name H6 ) 5 5 0
assign ( resid 14 and name H1' ) ( resid 5 and name H2 ) 5 5 0
assign ( resid 16 and name H1' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 17 and name H1' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 1 and name H2'' ) ( resid 1 and name H8 ) 5 5 0
assign ( resid 2 and name H2'' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 2 and name H2'' ) ( resid 3 and name H8 ) 4 4 0
assign ( resid 3 and name H2'' ) ( resid 4 and name H8 ) 4 4 0
assign ( resid 4 and name H2'' ) ( resid 4 and name H8 ) 6 6 0
assign ( resid 4 and name H2'' ) ( resid 5 and name H8 ) 3 3 0
assign ( resid 5 and name H2'' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H2'' ) ( resid 6 and name H6 ) 4 4 0
assign ( resid 6 and name H2'' ) ( resid 5 and name H2 ) 7 7 0
assign ( resid 6 and name H2'' ) ( resid 12 and name H2 ) 7 7 0
assign ( resid 6 and name H2'' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 6 and name H2'' ) ( resid 7 and name H6 ) 4 4 0
assign ( resid 7 and name H2'' ) ( resid 7 and name H6 ) 4 4 0
assign ( resid 7 and name H2'' ) ( resid 8 and name H8 ) 6 6 0
assign ( resid 7 and name H2'' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 7 and name H2'' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 8 and name H2'' ) ( resid 8 and name H8 ) 3 3 0
assign ( resid 8 and name H2'' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H2'' ) ( resid 9 and name H8 ) 3 3 0
assign ( resid 9 and name H2'' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H2'' ) ( resid 10 and name H8 ) 3 3 0
assign ( resid 10 and name H2'' ) ( resid 11 and name H8 ) 6 6 0
assign ( resid 11 and name H2'' ) ( resid 11 and name H8 ) 3 3 0
assign ( resid 11 and name H2'' ) ( resid 12 and name H8 ) 4 4 0
assign ( resid 12 and name H2'' ) ( resid 12 and name H8 ) 5 5 0
assign ( resid 12 and name H2'' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 13 and name H2'' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 13 and name H2'' ) ( resid 14 and name H6 ) 3 3 0
assign ( resid 14 and name H2'' ) ( resid 15 and name H6 ) 4 4 0
assign ( resid 15 and name H2'' ) ( resid 16 and name H6 ) 5 5 0
assign ( resid 16 and name H2'' ) ( resid 16 and name H6 ) 5 5 0
assign ( resid 16 and name H2'' ) ( resid 17 and name H6 ) 3 3 0
assign ( resid 17 and name H2'' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 2 and name H3' ) ( resid 2 and name H8 ) 5 5 0
assign ( resid 2 and name H3' ) ( resid 3 and name H8 ) 5 5 0
assign ( resid 3 and name H3' ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 4 and name H3' ) ( resid 4 and name H8 ) 5 5 0
assign ( resid 4 and name H3' ) ( resid 5 and name H8 ) 5 5 0
assign ( resid 5 and name H3' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H3' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 6 and name H3' ) ( resid 6 and name H6 ) 4 4 0
assign ( resid 6 and name H3' ) ( resid 7 and name H6 ) 6 6 0
assign ( resid 7 and name H3' ) ( resid 7 and name H6 ) 5 5 0
assign ( resid 7 and name H3' ) ( resid 8 and name H8 ) 5 5 0
assign ( resid 8 and name H3' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 8 and name H3' ) ( resid 8 and name H8 ) 5 5 0
assign ( resid 9 and name H3' ) ( resid 9 and name H8 ) 5 5 0
assign ( resid 9 and name H3' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H3' ) ( resid 10 and name H8 ) 5 5 0
assign ( resid 10 and name H3' ) ( resid 10 and name H2 ) 8 8 0
assign ( resid 11 and name H3' ) ( resid 11 and name H8 ) 4 4 0
assign ( resid 11 and name H3' ) ( resid 12 and name H8 ) 5 5 0
assign ( resid 12 and name H3' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H3' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 13 and name H3' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 16 and name H3' ) ( resid 16 and name H6 ) 5 5 0
assign ( resid 16 and name H3' ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 17 and name H3' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 2 and name H4' ) ( resid 2 and name H8 ) 7 7 0
assign ( resid 3 and name H4' ) ( resid 3 and name H8 ) 7 7 0
assign ( resid 4 and name H4' ) ( resid 4 and name H8 ) 6 6 0
assign ( resid 4 and name H4' ) ( resid 5 and name H8 ) 7 7 0
assign ( resid 5 and name H4' ) ( resid 5 and name H8 ) 7 7 0
assign ( resid 5 and name H4' ) ( resid 6 and name H6 ) 7 7 0
assign ( resid 6 and name H4' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 7 and name H4' ) ( resid 7 and name H6 ) 6 6 0
assign ( resid 7 and name H4' ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 8 and name H4' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 8 and name H4' ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 8 and name H4' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 10 and name H4' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H4' ) ( resid 11 and name H8 ) 6 6 0
assign ( resid 11 and name H4' ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 11 and name H4' ) ( resid 11 and name H8 ) 6 6 0
assign ( resid 11 and name H4' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H4' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H4' ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 13 and name H4' ) ( resid 13 and name H6 ) 6 6 0
assign ( resid 16 and name H4' ) ( resid 16 and name H6 ) 7 7 0
assign ( resid 17 and name H4' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 1 and name H5' ) ( resid 1 and name H8 ) 5 5 0
assign ( resid 1 and name H5'' ) ( resid 1 and name H8 ) 5 5 0
assign ( resid 1 and name H5' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 1 and name H5'' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 2 and name H5' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 2 and name H5'' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 3 and name H5' ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 3 and name H5'' ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 4 and name H5' ) ( resid 4 and name H8 ) 5 5 0
assign ( resid 4 and name H5'' ) ( resid 4 and name H8 ) 5 5 0
assign ( resid 5 and name H5' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H5'' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 6 and name H5' ) ( resid 6 and name H6 ) 6 6 0
assign ( resid 6 and name H5'' ) ( resid 6 and name H6 ) 6 6 0
assign ( resid 7 and name H5' ) ( resid 7 and name H6 ) 6 6 0
assign ( resid 7 and name H5'' ) ( resid 7 and name H6 ) 6 6 0
assign ( resid 7 and name H5'' ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 7 and name H5' ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 8 and name H5' ) ( resid 8 and name H8 ) 5 5 0
assign ( resid 8 and name H5'' ) ( resid 8 and name H8 ) 5 5 0
assign ( resid 8 and name H5' ) ( resid 10 and name H2 ) 7 7 0
assign ( resid 8 and name H5'' ) ( resid 10 and name H2 ) 7 7 0
assign ( resid 8 and name H5' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 8 and name H5'' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H5' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H5'' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H5' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 9 and name H5'' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 9 and name H5' ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 9 and name H5'' ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 10 and name H5'' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H5' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H5' ) ( resid 9 and name H8 ) 8 8 0
assign ( resid 10 and name H5'' ) ( resid 9 and name H8 ) 8 8 0
assign ( resid 10 and name H5' ) ( resid 11 and name H8 ) 7 7 0
assign ( resid 10 and name H5'' ) ( resid 11 and name H8 ) 7 7 0
assign ( resid 11 and name H5' ) ( resid 11 and name H8 ) 5 5 0
assign ( resid 11 and name H5'' ) ( resid 11 and name H8 ) 5 5 0
assign ( resid 12 and name H5' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H5'' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H5' ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 12 and name H5'' ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 13 and name H5' ) ( resid 13 and name H6 ) 6 6 0
assign ( resid 13 and name H5'' ) ( resid 13 and name H6 ) 6 6 0
assign ( resid 14 and name H5' ) ( resid 14 and name H6 ) 6 6 0
assign ( resid 14 and name H5'' ) ( resid 14 and name H6 ) 6 6 0
assign ( resid 15 and name H5' ) ( resid 15 and name H6 ) 6 6 0
assign ( resid 15 and name H5'' ) ( resid 15 and name H6 ) 6 6 0
assign ( resid 16 and name H5' ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 16 and name H5'' ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 17 and name H5' ) ( resid 17 and name H6 ) 6 6 0
assign ( resid 17 and name H5'' ) ( resid 17 and name H6 ) 6 6 0
assign ( resid 4 and name H1' ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 5 and name H2'' ) ( resid 6 and name H5 ) 6 6 0
assign ( resid 5 and name H3' ) ( resid 6 and name H5 ) 7 7 0
assign ( resid 5 and name H1' ) ( resid 6 and name H5 ) 7 7 0
assign ( resid 5 and name H1' ) ( resid 6 and name H1' ) 7 7 0
assign ( resid 6 and name H5 ) ( resid 6 and name H2'' ) 6 6 0
assign ( resid 6 and name H5 ) ( resid 7 and name H5 ) 6 6 0
assign ( resid 6 and name H2'' ) ( resid 7 and name H5 ) 5 5 0
assign ( resid 6 and name H2'' ) ( resid 7 and name H1' ) 5 5 0
assign ( resid 6 and name H3' ) ( resid 6 and name H5 ) 7 7 0
assign ( resid 6 and name H3' ) ( resid 7 and name H5 ) 6 6 0
assign ( resid 7 and name H2'' ) ( resid 7 and name H5 ) 6 6 0
assign ( resid 7 and name H3' ) ( resid 7 and name H5 ) 7 7 0
assign ( resid 8 and name H1' ) ( resid 9 and name H5' ) 6 6 0
assign ( resid 8 and name H1' ) ( resid 9 and name H5'' ) 6 6 0
assign ( resid 9 and name H1' ) ( resid 10 and name H2'' ) 7 7 0
assign ( resid 9 and name H5' ) ( resid 10 and name H1' ) 7 7 0
assign ( resid 9 and name H5'' ) ( resid 10 and name H1' ) 7 7 0
assign ( resid 9 and name H1' ) ( resid 10 and name H5'' ) 8 5 0
assign ( resid 9 and name H1' ) ( resid 10 and name H5' ) 8 5 0
assign ( resid 9 and name H4' ) ( resid 10 and name H1' ) 6 6 0
assign ( resid 10 and name H1' ) ( resid 11 and name H1' ) 6 6 0
assign ( resid 10 and name H1' ) ( resid 11 and name H4' ) 7 7 0
assign ( resid 10 and name H1' ) ( resid 11 and name H5' ) 7 7 0
assign ( resid 10 and name H1' ) ( resid 11 and name H5'' ) 7 7 0
assign ( resid 11 and name H2'' ) ( resid 12 and name H1' ) 6 6 0
assign ( resid 12 and name H2'' ) ( resid 13 and name H1' ) 6 6 0
assign ( resid 12 and name H1' ) ( resid 13 and name H1' ) 7 7 0
assign ( resid 12 and name H1' ) ( resid 13 and name H5 ) 7 7 0
assign ( resid 12 and name H2'' ) ( resid 13 and name H5 ) 5 5 0
assign ( resid 12 and name H3' ) ( resid 13 and name H5 ) 7 7 0
assign ( resid 13 and name H5 ) ( resid 14 and name H5 ) 6 6 0
assign ( resid 16 and name H1' ) ( resid 17 and name H2'' ) 7 7 0
assign ( resid 16 and name H2'' ) ( resid 17 and name H1' ) 7 7 0
assign ( resid 7 and name H2'' ) ( resid 8 and name H5'' ) 6 6 0
assign ( resid 7 and name H2'' ) ( resid 8 and name H5' ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 10 and name H5' ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 10 and name H5'' ) 6 6 0
! backbone alpha + zeta constraints para A37
!
!
!      A9  
!  G8     A10   
!  U7  A11   
!   U6 - A12   
!   A5 - U13
!   G4 - C14
!   G3 - C15
!   G2 - C16
!   G1 - C17
!       5'        3'
! 
! 
! ****************************************************************************
! 
! alpha 
! 
! ****************************************************************************
! 
! note: since all P31 shifts cluster together, alpha and zeta are being 
!       constrained to exclude the trans conformation
!
! G1 (no constraint: no 5' phosphate in molecular model)
! 
! 
! G2 
! 
assign (segid ACSL and resid  1  and name O3') 
       (segid ACSL and resid  2  and name P  ) 
       (segid ACSL and resid  2  and name O5')
       (segid ACSL and resid  2  and name C5')  20.0  0.0 120.0 2
! 
! G3 
! 
assign (segid ACSL and resid  2  and name O3') 
       (segid ACSL and resid  3  and name P  ) 
       (segid ACSL and resid  3  and name O5')
       (segid ACSL and resid  3  and name C5')  20.0  0.0 120.0 2
! 
! G4 
! 
assign (segid ACSL and resid  3  and name O3') 
       (segid ACSL and resid  4  and name P  ) 
       (segid ACSL and resid  4  and name O5')
       (segid ACSL and resid  4  and name C5')  20.0  0.0 120.0 2
! 
! A5 
! 
assign (segid ACSL and resid  4  and name O3') 
       (segid ACSL and resid  5  and name P  ) 
       (segid ACSL and resid  5  and name O5')
       (segid ACSL and resid  5  and name C5')  20.0  0.0 120.0 2
! 
! U6 
! 
assign (segid ACSL and resid  5  and name O3') 
       (segid ACSL and resid  6  and name P  ) 
       (segid ACSL and resid  6  and name O5')
       (segid ACSL and resid  6  and name C5')  20.0  0.0 120.0 2
! 
! U13 
! 
assign (segid ACSL and resid 12  and name O3') 
       (segid ACSL and resid 13  and name P  ) 
       (segid ACSL and resid 13  and name O5')
       (segid ACSL and resid 13  and name C5')  20.0  0.0 120.0 2
! 
! C14 
! 
assign (segid ACSL and resid 13  and name O3') 
       (segid ACSL and resid 14  and name P  ) 
       (segid ACSL and resid 14  and name O5')
       (segid ACSL and resid 14  and name C5')  20.0  0.0 120.0 2
! 
! C15 
! 
assign (segid ACSL and resid 14  and name O3') 
       (segid ACSL and resid 15  and name P  ) 
       (segid ACSL and resid 15  and name O5')
       (segid ACSL and resid 15  and name C5')  20.0  0.0 120.0 2
! 
! C16 
! 
assign (segid ACSL and resid 15  and name O3') 
       (segid ACSL and resid 16  and name P  ) 
       (segid ACSL and resid 16  and name O5')
       (segid ACSL and resid 16  and name C5')  20.0  0.0 120.0 2
! 
! C17 
! 
assign (segid ACSL and resid 16  and name O3') 
       (segid ACSL and resid 17  and name P  ) 
       (segid ACSL and resid 17  and name O5')
       (segid ACSL and resid 17  and name C5')  20.0  0.0 120.0 2
! 
! ****************************************************************************
! 
! zeta 
! 
! ****************************************************************************
! 
! note: since all P31 shifts cluster together, alpha and zeta are being 
!       constrained to within exclude the trans conformation
!
! G1 
! 
assign (segid ACSL and resid  1  and name C3') 
       (segid ACSL and resid  1  and name O3') 
       (segid ACSL and resid  2  and name P  )
       (segid ACSL and resid  2  and name O5')  20.0  0.0 120.0 2
! 
! G2 
! 
assign (segid ACSL and resid  2  and name C3') 
       (segid ACSL and resid  2  and name O3') 
       (segid ACSL and resid  3  and name P  )
       (segid ACSL and resid  3  and name O5')  20.0  0.0 120.0 2
! 
! G3 
! 
assign (segid ACSL and resid  3  and name C3') 
       (segid ACSL and resid  3  and name O3') 
       (segid ACSL and resid  4  and name P  )
       (segid ACSL and resid  4  and name O5')  20.0  0.0 120.0 2
! 
! G4 
! 
assign (segid ACSL and resid  4  and name C3') 
       (segid ACSL and resid  4  and name O3') 
       (segid ACSL and resid  5  and name P  )
       (segid ACSL and resid  5  and name O5')  20.0  0.0 120.0 2
! 
! A5 
! 
assign (segid ACSL and resid  5  and name C3') 
       (segid ACSL and resid  5  and name O3') 
       (segid ACSL and resid  6  and name P  )
       (segid ACSL and resid  6  and name O5')  20.0  0.0 120.0 2
! 
! A12 
! 
assign (segid ACSL and resid 12  and name C3') 
       (segid ACSL and resid 12  and name O3') 
       (segid ACSL and resid 13  and name P  )
       (segid ACSL and resid 13  and name O5')  20.0  0.0 120.0 2
 
! U13 
! 
assign (segid ACSL and resid 13  and name C3') 
       (segid ACSL and resid 13  and name O3') 
       (segid ACSL and resid 14  and name P  )
       (segid ACSL and resid 14  and name O5')  20.0  0.0 120.0 2

! C14 
! 
assign (segid ACSL and resid 14  and name C3') 
       (segid ACSL and resid 14  and name O3') 
       (segid ACSL and resid 15  and name P  )
       (segid ACSL and resid 15  and name O5')  20.0  0.0 120.0 2
! 
! C15 
! 
assign (segid ACSL and resid 15  and name C3') 
       (segid ACSL and resid 15  and name O3') 
       (segid ACSL and resid 16  and name P  )
       (segid ACSL and resid 16  and name O5')  20.0  0.0 120.0 2
! 
! C16 
! 
assign (segid ACSL and resid 16  and name C3') 
       (segid ACSL and resid 16  and name O3') 
       (segid ACSL and resid 17  and name P  )
       (segid ACSL and resid 17  and name O5')  20.0  0.0 120.0 2
!
!Beta torsion angle constraints
!G3
assign (segid ACSL and resid 3  and name P  )
       (segid ACSL and resid 3  and name O5')
       (segid ACSL and resid 3  and name C5')
       (segid ACSL and resid 3  and name C4') 20.0 180.0  40.0  2

!G4
assign (segid ACSL and resid 4  and name P  )
       (segid ACSL and resid 4  and name O5')
       (segid ACSL and resid 4  and name C5')
       (segid ACSL and resid 4  and name C4') 20.0 180.0  40.0  2

!A5
assign (segid ACSL and resid 5  and name P  )
       (segid ACSL and resid 5  and name O5')
       (segid ACSL and resid 5  and name C5')
       (segid ACSL and resid 5  and name C4') 20.0 180.0  40.0  2
!
!Gamma torsion angle constraints
!A8  4/17/01
assign (segid ACSL and resid 8  and name O5')
       (segid ACSL and resid 8  and name C5')
       (segid ACSL and resid 8  and name C4')
       (segid ACSL and resid 8  and name C3') 20.0 120.0  120.0  2

!A10 4/17/01
assign (segid ACSL and resid 10  and name O5')
       (segid ACSL and resid 10  and name C5')
       (segid ACSL and resid 10  and name C4')
       (segid ACSL and resid 10  and name C3') 20.0 120.0  120.0  2

!C14
assign (segid ACSL and resid 14  and name O5')
       (segid ACSL and resid 14  and name C5')
       (segid ACSL and resid 14  and name C4')
       (segid ACSL and resid 14  and name C3') 20.0 60.0  20.0  2

!C15 4/17/01
assign (segid ACSL and resid 15  and name O5')
       (segid ACSL and resid 15  and name C5')
       (segid ACSL and resid 15  and name C4')
       (segid ACSL and resid 15  and name C3') 20.0 60.0  20.0  2

!C16 4/17/01
assign (segid ACSL and resid 16  and name O5')
       (segid ACSL and resid 16  and name C5')
       (segid ACSL and resid 16  and name C4')
       (segid ACSL and resid 16  and name C3') 20.0 60.0  20.0  2

! Epsilon torsion angles
!trans o gauche-
!   
!G1 trans
assign (segid ACSL and resid 1  and name C4') 
       (segid ACSL and resid 1  and name C3') 
       (segid ACSL and resid 1  and name O3') 
       (segid ACSL and resid 2  and name P  )  20.0  210.0 40.0 2
!G2 trans
assign (segid ACSL and resid 2  and name C4')
       (segid ACSL and resid 2  and name C3') 
       (segid ACSL and resid 2  and name O3') 
       (segid ACSL and resid 3  and name P  )  20.0  210.0 40.0 2
!G3 trans
assign (segid ACSL and resid 3  and name C4')
       (segid ACSL and resid 3  and name C3') 
       (segid ACSL and resid 3  and name O3') 
       (segid ACSL and resid 4  and name P  )  20.0  210.0 40.0 2
!G4 trans
assign (segid ACSL and resid 4  and name C4')
       (segid ACSL and resid 4  and name C3') 
       (segid ACSL and resid 4  and name O3') 
       (segid ACSL and resid 5  and name P  )  20.0  210.0 40.0 2
!A5 trans
assign (segid ACSL and resid 5  and name C4')
       (segid ACSL and resid 5  and name C3') 
       (segid ACSL and resid 5  and name O3') 
       (segid ACSL and resid 6  and name P  )  20.0  210.0 40.0 2
!U6 trans
assign (segid ACSL and resid 6  and name C4')
       (segid ACSL and resid 6  and name C3') 
       (segid ACSL and resid 6  and name O3') 
       (segid ACSL and resid 7  and name P  )  20.0  210.0 40.0 2
!U7 trans
assign (segid ACSL and resid 7  and name C4')
       (segid ACSL and resid 7  and name C3') 
       (segid ACSL and resid 7  and name O3') 
       (segid ACSL and resid 8  and name P  )  20.0  210.0 40.0 2
!G8 trans o gauche-
assign (segid ACSL and resid 8  and name C4')
       (segid ACSL and resid 8  and name C3') 
       (segid ACSL and resid 8  and name O3') 
       (segid ACSL and resid 9  and name P  )  20.0  235.0 65.0 2
!A9 gauche- SOLO 48ms LOWER DA <5Hz puesto 7/2/00
assign (segid ACSL and resid 9  and name C4')
       (segid ACSL and resid 9  and name C3') 
       (segid ACSL and resid 9  and name O3') 
       (segid ACSL and resid 10 and name P  )  20.0  260.0 40.0 2
!A10 trans? o gauche- 
assign (segid ACSL and resid 10 and name C4')
       (segid ACSL and resid 10 and name C3') 
       (segid ACSL and resid 10 and name O3') 
       (segid ACSL and resid 11 and name P  )  20.0  235.0 65.0 2
!A11 trans
assign (segid ACSL and resid 11 and name C4')
       (segid ACSL and resid 11 and name C3') 
       (segid ACSL and resid 11 and name O3') 
       (segid ACSL and resid 12 and name P  )  20.0  210.0 40.0 2
!U12 trans
assign (segid ACSL and resid 12 and name C4')
       (segid ACSL and resid 12 and name C3') 
       (segid ACSL and resid 12 and name O3') 
       (segid ACSL and resid 13 and name P  )  20.0  210.0 40.0 2
!C13 trans
assign (segid ACSL and resid 13 and name C4')
       (segid ACSL and resid 13 and name C3') 
       (segid ACSL and resid 13 and name O3') 
       (segid ACSL and resid 14 and name P  )  20.0  210.0 40.0 2
!C14 trans
assign (segid ACSL and resid 14 and name C4')
       (segid ACSL and resid 14 and name C3') 
       (segid ACSL and resid 14 and name O3') 
       (segid ACSL and resid 15 and name P  )  20.0  210.0 40.0 2
!C15 trans
assign (segid ACSL and resid 15 and name C4')
       (segid ACSL and resid 15 and name C3')
       (segid ACSL and resid 15 and name O3')
       (segid ACSL and resid 16 and name P  )  20.0  210.0 40.0 2
!C16 trans
assign (segid ACSL and resid 16 and name C4')
       (segid ACSL and resid 16 and name C3') 
       (segid ACSL and resid 16 and name O3') 
       (segid ACSL and resid 17 and name P  )  20.0  210.0 40.0 2



! Torsion angle constraints about delta and nu 0 
! to apply c3 or c2 prime endo sugar pucker 
! Angles determined from model built A-form/B-form ribose 
!
!  3'ENDO SUGAR CONSTRAINTS (for residues 1,2,3,4,5,6,12,13,14,15,16,17)
assign (segid ACSL and resid 2  and name C2') 
       (segid ACSL and resid 2  and name C1') 
       (segid ACSL and resid 2  and name O4') 
       (segid ACSL and resid 2  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 2  and name O4') 
       (segid ACSL and resid 2  and name C4') 
       (segid ACSL and resid 2  and name C3') 
       (segid ACSL and resid 2  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 3  and name C2') 
       (segid ACSL and resid 3  and name C1') 
       (segid ACSL and resid 3  and name O4') 
       (segid ACSL and resid 3  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 3  and name O4') 
       (segid ACSL and resid 3  and name C4') 
       (segid ACSL and resid 3  and name C3') 
       (segid ACSL and resid 3  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 4  and name C2') 
       (segid ACSL and resid 4  and name C1') 
       (segid ACSL and resid 4  and name O4') 
       (segid ACSL and resid 4  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 4  and name O4') 
       (segid ACSL and resid 4  and name C4') 
       (segid ACSL and resid 4  and name C3') 
       (segid ACSL and resid 4  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 5  and name C2') 
       (segid ACSL and resid 5  and name C1') 
       (segid ACSL and resid 5  and name O4') 
       (segid ACSL and resid 5  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 5  and name O4') 
       (segid ACSL and resid 5  and name C4') 
       (segid ACSL and resid 5  and name C3') 
       (segid ACSL and resid 5  and name C2')  20.0  324 2.5 2 
assign (segid ACSL and resid 6  and name C2') 
       (segid ACSL and resid 6  and name C1') 
       (segid ACSL and resid 6  and name O4') 
       (segid ACSL and resid 6  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 6  and name O4') 
       (segid ACSL and resid 6  and name C4') 
       (segid ACSL and resid 6  and name C3') 
       (segid ACSL and resid 6  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 12  and name C2') 
       (segid ACSL and resid 12  and name C1') 
       (segid ACSL and resid 12  and name O4') 
       (segid ACSL and resid 12  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 12  and name O4') 
       (segid ACSL and resid 12  and name C4') 
       (segid ACSL and resid 12  and name C3') 
       (segid ACSL and resid 12  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 13  and name C2') 
       (segid ACSL and resid 13  and name C1') 
       (segid ACSL and resid 13  and name O4') 
       (segid ACSL and resid 13  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 13  and name O4') 
       (segid ACSL and resid 13  and name C4') 
       (segid ACSL and resid 13  and name C3') 
       (segid ACSL and resid 13  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 14  and name C2') 
       (segid ACSL and resid 14  and name C1') 
       (segid ACSL and resid 14  and name O4') 
       (segid ACSL and resid 14  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 14  and name O4') 
       (segid ACSL and resid 14  and name C4') 
       (segid ACSL and resid 14  and name C3') 
       (segid ACSL and resid 14  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 15  and name C2') 
       (segid ACSL and resid 15  and name C1') 
       (segid ACSL and resid 15  and name O4') 
       (segid ACSL and resid 15  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 15  and name O4') 
       (segid ACSL and resid 15  and name C4') 
       (segid ACSL and resid 15  and name C3') 
       (segid ACSL and resid 15  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 16  and name C2') 
       (segid ACSL and resid 16  and name C1') 
       (segid ACSL and resid 16  and name O4') 
       (segid ACSL and resid 16  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 16  and name O4') 
       (segid ACSL and resid 16  and name C4') 
       (segid ACSL and resid 16  and name C3') 
       (segid ACSL and resid 16  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 17  and name C2') 
       (segid ACSL and resid 17  and name C1') 
       (segid ACSL and resid 17  and name O4') 
       (segid ACSL and resid 17  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 17  and name O4') 
       (segid ACSL and resid 17  and name C4') 
       (segid ACSL and resid 17  and name C3') 
       (segid ACSL and resid 17  and name C2')  20.0  324 2.5 2
!
!     2'ENDO SUGAR CONSTRAINTS (for residues 8,9)
!
assign (segid ACSL and resid 8  and name C2') 
       (segid ACSL and resid 8  and name C1') 
       (segid ACSL and resid 8  and name O4') 
       (segid ACSL and resid 8  and name C4')  20.0  356  2.5 2
assign (segid ACSL and resid 8  and name O4') 
       (segid ACSL and resid 8  and name C4') 
       (segid ACSL and resid 8  and name C3') 
       (segid ACSL and resid 8  and name C2')  20.0  33 1.0 2
assign (segid ACSL and resid 9  and name C2') 
       (segid ACSL and resid 9  and name C1') 
       (segid ACSL and resid 9  and name O4') 
       (segid ACSL and resid 9  and name C4')  20.0  356  2.5 2
assign (segid ACSL and resid 9  and name O4') 
       (segid ACSL and resid 9  and name C4') 
       (segid ACSL and resid 9  and name C3') 
       (segid ACSL and resid 9  and name C2')  20.0  33 1.0 2
!assign (segid ACSL and resid 10  and name C2') 
!       (segid ACSL and resid 10  and name C1') 
!       (segid ACSL and resid 10  and name O4') 
!       (segid ACSL and resid 10  and name C4')  20.0  356  2.5 2
!assign (segid ACSL and resid 10  and name O4') 
!       (segid ACSL and resid 10  and name C4') 
!       (segid ACSL and resid 10  and name C3') 
!       (segid ACSL and resid 10  and name C2')  20.0  33 1.0 2
!
!    UNCONSTRAINED SUGAR PUCKER (residues 7,10,11)
!

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1   2.949  -8.420  17.616
    2   2H5*    G   1          2H5*        G   1   2.282  -8.886  16.027
    3    H4*    G   1           H4*        G   1   4.412 -10.688  16.985
    4    H3*    G   1           H3*        G   1   4.839  -7.821  17.395
    5    H2*    G   1           H2*        G   1   6.174  -7.319  15.625
    6   2HO*    G   1          2HO*        G   1   7.936  -8.351  16.544
    7    H1*    G   1           H1*        G   1   6.143  -9.725  14.086
    8    H8     G   1           H8         G   1   2.846  -8.056  13.899
    9    H1     G   1           H1         G   1   7.208  -5.092  10.328
   10   1H2     G   1          1H2         G   1   9.512  -7.012  12.107
   11   2H2     G   1          2H2         G   1   9.239  -5.804  10.873
   12    H5T    G   1           H5T        G   1   1.279 -10.432  16.985
   13   1H5*    G   2          1H5*        G   2   6.999  -5.892  20.085
   14   2H5*    G   2          2H5*        G   2   6.358  -6.383  18.492
   15    H4*    G   2           H4*        G   2   9.336  -6.313  19.088
   16    H3*    G   2           H3*        G   2   7.496  -3.994  18.398
   17    H2*    G   2           H2*        G   2   9.275  -3.060  17.142
   18   2HO*    G   2          2HO*        G   2  10.885  -3.860  18.831
   19    H1*    G   2           H1*        G   2   9.983  -5.409  15.920
   20    H8     G   2           H8         G   2   6.254  -5.435  16.138
   21    H1     G   2           H1         G   2   8.346  -1.441  11.640
   22   1H2     G   2          1H2         G   2  11.469  -1.907  13.123
   23   2H2     G   2          2H2         G   2  10.534  -1.125  11.868
   24   1H5*    G   3          1H5*        G   3  10.222  -1.878  19.818
   25   2H5*    G   3          2H5*        G   3   9.933  -0.832  21.234
   26    H4*    G   3           H4*        G   3  10.644   0.617  19.482
   27    H3*    G   3           H3*        G   3   7.597   0.507  19.474
   28    H2*    G   3           H2*        G   3   7.687   2.273  17.908
   29   2HO*    G   3          2HO*        G   3   9.150   3.734  18.471
   30    H1*    G   3           H1*        G   3   9.899   1.248  16.544
   31    H8     G   3           H8         G   3   7.438  -1.509  17.091
   32    H1     G   3           H1         G   3   5.566   2.472  12.475
   33   1H2     G   3          1H2         G   3   8.130   4.529  13.640
   34   2H2     G   3          2H2         G   3   6.829   4.298  12.493
   35   1H5*    G   4          1H5*        G   4   5.024   4.189  21.582
   36   2H5*    G   4          2H5*        G   4   5.017   2.784  20.483
   37    H4*    G   4           H4*        G   4   5.788   5.636  19.698
   38    H3*    G   4           H3*        G   4   3.130   4.176  19.680
   39    H2*    G   4           H2*        G   4   2.564   5.188  17.653
   40   2HO*    G   4          2HO*        G   4   3.070   7.212  17.362
   41    H1*    G   4           H1*        G   4   5.109   5.141  16.521
   42    H8     G   4           H8         G   4   4.205   1.832  18.093
   43    H1     G   4           H1         G   4   1.537   2.636  12.359
   44   1H2     G   4          1H2         G   4   2.664   5.924  12.638
   45   2H2     G   4          2H2         G   4   1.819   4.730  11.679
   46   1H5*    A   5          1H5*        A   5  -0.903   6.946  19.762
   47   2H5*    A   5          2H5*        A   5  -0.070   5.419  19.409
   48    H4*    A   5           H4*        A   5   0.177   7.776  17.530
   49    H3*    A   5           H3*        A   5  -2.109   5.811  17.820
   50    H2*    A   5           H2*        A   5  -2.300   5.640  15.495
   51   2HO*    A   5          2HO*        A   5  -2.152   7.499  14.488
   52    H1*    A   5           H1*        A   5   0.405   5.676  14.914
   53    H8     A   5           H8         A   5   0.226   3.341  17.733
   54   1H6     A   5          1H6         A   5  -2.384  -0.868  14.075
   55   2H6     A   5          2H6         A   5  -1.634  -0.586  15.629
   56    H2     A   5           H2         A   5  -2.423   3.071  11.912
   57   1H5*    U   6          1H5*        U   6  -6.735   7.446  16.685
   58   2H5*    U   6          2H5*        U   6  -5.607   6.165  17.168
   59    H4*    U   6           H4*        U   6  -5.365   7.425  14.436
   60    H3*    U   6           H3*        U   6  -7.437   5.440  15.389
   61    H2*    U   6           H2*        U   6  -7.152   4.131  13.480
   62   2HO*    U   6          2HO*        U   6  -5.465   5.973  12.185
   63    H1*    U   6           H1*        U   6  -4.412   4.416  13.191
   64    H3     U   6           H3         U   6  -6.413   0.210  14.350
   65    H5     U   6           H5         U   6  -4.269   1.761  17.628
   66    H6     U   6           H6         U   6  -4.125   3.878  16.453
   67   1H5*    U   7          1H5*        U   7  -8.089   5.434  11.303
   68   2H5*    U   7          2H5*        U   7  -9.643   6.268  11.095
   69    H4*    U   7           H4*        U   7  -9.404   4.122   9.774
   70    H3*    U   7           H3*        U   7 -11.596   4.802  11.672
   71    H2*    U   7           H2*        U   7 -12.452   2.696  11.907
   72   2HO*    U   7          2HO*        U   7 -12.288   2.691   9.342
   73    H1*    U   7           H1*        U   7 -10.225   1.096  11.314
   74    H3     U   7           H3         U   7 -12.207   0.105  15.408
   75    H5     U   7           H5         U   7  -9.291   3.055  16.140
   76    H6     U   7           H6         U   7  -9.079   3.351  13.742
   77   1H5*    G   8          1H5*        G   8 -14.610   4.002   8.596
   78   2H5*    G   8          2H5*        G   8 -16.004   4.823   9.343
   79    H4*    G   8           H4*        G   8 -15.205   2.145   9.641
   80    H3*    G   8           H3*        G   8 -17.380   3.706  10.361
   81    H2*    G   8           H2*        G   8 -16.647   4.480  12.426
   82   2HO*    G   8          2HO*        G   8 -18.034   3.447  13.629
   83    H1*    G   8           H1*        G   8 -15.196   1.948  13.127
   84    H8     G   8           H8         G   8 -13.919   5.500  12.329
   85    H1     G   8           H1         G   8 -13.495   3.862  18.476
   86   1H2     G   8          1H2         G   8 -15.215   0.988  17.510
   87   2H2     G   8          2H2         G   8 -14.467   1.894  18.806
   88   1H5*    A   9          1H5*        A   9 -16.816  -0.354  10.271
   89   2H5*    A   9          2H5*        A   9 -17.064  -0.828   8.579
   90    H4*    A   9           H4*        A   9 -17.719  -2.915   9.161
   91    H3*    A   9           H3*        A   9 -19.842  -1.590  10.302
   92    H2*    A   9           H2*        A   9 -18.907  -1.152  12.405
   93   2HO*    A   9          2HO*        A   9 -20.365  -2.285  13.432
   94    H1*    A   9           H1*        A   9 -17.578  -3.845  12.564
   95    H8     A   9           H8         A   9 -16.526  -0.094  12.572
   96   1H6     A   9          1H6         A   9 -13.950  -1.338  18.030
   97   2H6     A   9          2H6         A   9 -14.207  -0.106  16.815
   98    H2     A   9           H2         A   9 -15.965  -5.070  16.554
   99   1H5*    A  10          1H5*        A  10 -18.879  -6.854   9.669
  100   2H5*    A  10          2H5*        A  10 -18.165  -5.474  10.529
  101    H4*    A  10           H4*        A  10 -16.876  -6.978   8.209
  102    H3*    A  10           H3*        A  10 -16.992  -7.908  10.772
  103    H2*    A  10           H2*        A  10 -16.117  -5.905  11.786
  104   2HO*    A  10          2HO*        A  10 -14.817  -7.553  12.578
  105    H1*    A  10           H1*        A  10 -13.979  -5.923   9.618
  106    H8     A  10           H8         A  10 -14.664  -4.429  12.744
  107   1H6     A  10          1H6         A  10 -13.487   1.229  10.627
  108   2H6     A  10          2H6         A  10 -13.758   0.260  12.059
  109    H2     A  10           H2         A  10 -13.891  -1.511   7.103
  110   1H5*    A  11          1H5*        A  11 -11.731 -10.319  10.112
  111   2H5*    A  11          2H5*        A  11 -12.787  -9.301  11.111
  112    H4*    A  11           H4*        A  11 -12.175  -8.262   8.381
  113    H3*    A  11           H3*        A  11 -10.037  -9.246   9.937
  114    H2*    A  11           H2*        A  11 -10.055  -7.677  11.617
  115   2HO*    A  11          2HO*        A  11  -8.632  -6.734   9.450
  116    H1*    A  11           H1*        A  11 -11.106  -5.487   9.839
  117    H8     A  11           H8         A  11 -12.430  -7.338  12.978
  118   1H6     A  11          1H6         A  11 -11.817  -1.949  15.891
  119   2H6     A  11          2H6         A  11 -12.348  -3.609  16.043
  120    H2     A  11           H2         A  11 -10.309  -1.440  11.690
  121   1H5*    A  12          1H5*        A  12  -6.075  -6.698   6.396
  122   2H5*    A  12          2H5*        A  12  -6.515  -6.890   8.102
  123    H4*    A  12           H4*        A  12  -8.265  -5.310   6.201
  124    H3*    A  12           H3*        A  12  -5.742  -4.460   7.647
  125    H2*    A  12           H2*        A  12  -6.717  -2.381   8.142
  126   2HO*    A  12          2HO*        A  12  -8.283  -1.502   6.963
  127    H1*    A  12           H1*        A  12  -9.220  -3.332   8.782
  128    H8     A  12           H8         A  12  -6.980  -5.774  10.391
  129   1H6     A  12          1H6         A  12  -5.681  -1.626  14.749
  130   2H6     A  12          2H6         A  12  -5.561  -3.310  14.288
  131    H2     A  12           H2         A  12  -7.799   0.492  11.398
  132   1H5*    U  13          1H5*        U  13  -5.500  -1.632   4.226
  133   2H5*    U  13          2H5*        U  13  -3.825  -1.062   4.111
  134    H4*    U  13           H4*        U  13  -5.650   0.537   5.111
  135    H3*    U  13           H3*        U  13  -2.960  -0.058   6.409
  136    H2*    U  13           H2*        U  13  -3.433   1.638   7.963
  137   2HO*    U  13          2HO*        U  13  -5.825   2.564   7.091
  138    H1*    U  13           H1*        U  13  -6.134   1.008   8.215
  139    H3     U  13           H3         U  13  -3.772   0.468  12.162
  140    H5     U  13           H5         U  13  -3.434  -3.174  10.069
  141    H6     U  13           H6         U  13  -4.418  -2.085   8.139
  142   1H5*    C  14          1H5*        C  14  -2.039   3.857   3.995
  143   2H5*    C  14          2H5*        C  14  -0.349   3.751   3.458
  144    H4*    C  14           H4*        C  14  -0.838   5.752   4.907
  145    H3*    C  14           H3*        C  14   1.144   3.628   5.777
  146    H2*    C  14           H2*        C  14   1.679   4.885   7.671
  147   2HO*    C  14          2HO*        C  14   1.759   6.987   7.552
  148    H1*    C  14           H1*        C  14  -0.888   5.787   8.213
  149   1H4     C  14          1H4         C  14  -0.150  -0.205  10.930
  150   2H4     C  14          2H4         C  14   0.412   0.919  12.145
  151    H5     C  14           H5         C  14  -0.774   0.461   8.701
  152    H6     C  14           H6         C  14  -1.013   2.352   7.163
  153   1H5*    C  15          1H5*        C  15   4.380   6.730   4.229
  154   2H5*    C  15          2H5*        C  15   5.663   5.599   3.751
  155    H4*    C  15           H4*        C  15   6.167   7.243   5.694
  156    H3*    C  15           H3*        C  15   6.535   4.233   5.851
  157    H2*    C  15           H2*        C  15   7.532   4.493   7.946
  158   2HO*    C  15          2HO*        C  15   8.959   6.161   7.569
  159    H1*    C  15           H1*        C  15   5.858   6.553   8.815
  160   1H4     C  15          1H4         C  15   2.983   0.748  10.195
  161   2H4     C  15          2H4         C  15   3.828   1.213  11.654
  162    H5     C  15           H5         C  15   3.165   1.956   8.122
  163    H6     C  15           H6         C  15   4.147   3.906   7.009
  164   1H5*    C  16          1H5*        C  16  10.888   4.764   6.162
  165   2H5*    C  16          2H5*        C  16  11.379   4.045   4.616
  166    H4*    C  16           H4*        C  16  12.628   2.847   6.250
  167    H3*    C  16           H3*        C  16  10.090   1.347   5.499
  168    H2*    C  16           H2*        C  16  10.793  -0.437   6.848
  169   2HO*    C  16          2HO*        C  16  12.902  -0.719   7.508
  170    H1*    C  16           H1*        C  16  11.868   1.126   8.883
  171   1H4     C  16          1H4         C  16   5.359   0.276   9.860
  172   2H4     C  16          2H4         C  16   6.173  -0.714  11.050
  173    H5     C  16           H5         C  16   6.514   1.494   8.141
  174    H6     C  16           H6         C  16   8.708   2.088   7.229
  175   1H5*    C  17          1H5*        C  17  10.813  -3.168   3.879
  176   2H5*    C  17          2H5*        C  17  10.152  -1.849   4.863
  177    H4*    C  17           H4*        C  17  12.833  -2.916   5.678
  178    H3*    C  17           H3*        C  17  10.264  -4.488   5.716
  179    H2*    C  17           H2*        C  17  10.521  -5.160   7.938
  180   2HO*    C  17          2HO*        C  17  12.449  -5.215   8.979
  181    H1*    C  17           H1*        C  17  11.473  -2.808   8.970
  182   1H4     C  17          1H4         C  17   4.898  -2.137   8.362
  183   2H4     C  17          2H4         C  17   5.111  -3.040   9.845
  184    H5     C  17           H5         C  17   6.714  -1.596   6.878
  185    H6     C  17           H6         C  17   9.123  -1.795   6.492
  186    H3T    C  17           H3T        C  17  11.977  -5.321   4.551