*HEADER   COMPLEX (RNA/LIGAND)                    27-MAY-97   1AKX    
*TITLE    HIV-2 TRANS ACTIVATING REGION RNA COMPLEX WITH ARGININAMIDE,
*TITLE   2 NMR, MINIMIZED AVERAGE STRUCTURE                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TRANS ACTIVATING REGION RNA;                     
*COMPND  3 CHAIN: A;                                                  
*COMPND  4 SYNONYM: TAR;                                              
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MOL_ID: 2;                                                 
*COMPND  7 MOLECULE: ARGININAMIDE;                                    
*COMPND  8 CHAIN: B;                                                  
*COMPND  9 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: MADE FROM OLIGO DIRECTED T7 POLYMERASE          
*SOURCE  3 TRANSCRIPTION;                                             
*SOURCE  4 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 2;  
*SOURCE  5 ORGANISM_COMMON: HIV-2;                                    
*SOURCE  6 MOL_ID: 2;                                                 
*SOURCE  7 SYNTHETIC: YES                                             
*KEYWDS   TRANSCRIPTIONAL ACTIVATION, NMR, COMPLEX (RNA/LIGAND),      
*KEYWDS  2 PROTEIN-RNA INTERACTIONS                                   
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   A.S.BRODSKY,J.R.WILLIAMSON                                  
*REVDAT  1   19-NOV-97 1AKX    0                                      
 
!This file contains three sections: NOEs, Hydrogen Bond restraints, Torsion Restraints
!When the calculations were done, these  were kept as separate files

! noes in order residue number order
! for square well potential format is:  d dminus dplus 
!removed intranuc H5 - H4* and H5-H6 noes
! made H5 noes upper bound 6.0 A except for the strong internuc H5-H3'

set echo = off end
set message = off end

! lower stem

assign (resid 16 and name H2'  )(resid 16 and name H1'  )  2.40  0.60  0.60
assign (resid 16 and name H3'  )(resid 16 and name H1'  )  2.90  1.10  1.10
assign (resid 16 and name H3'  )(resid 16 and name H2'  )  2.40  0.60  0.60
assign (resid 16 and name H4'  )(resid 16 and name H1'  )  2.90  1.10  1.10
assign (resid 16 and name H4'  )(resid 16 and name H2'  )  3.40  1.60  1.60
assign (resid 16 and name H4'  )(resid 16 and name H3'  )  2.40  0.60  0.60
assign (resid 16 and name H5' or resid 16 and name H5'')
(resid 16 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 16 and name H5' or resid 16 and name H5'')
(resid 16 and name H1'  )				   3.90  2.10  1.10
assign (resid 16 and name H5' or resid 16 and name H5'')
(resid 16 and name H2'  ) 				   3.90  2.10  1.10
assign (resid 16 and name H5' or resid 16 and name H5'')
(resid 16 and name H3'  )  				   3.40  1.60  1.60
assign (resid 16 and name H8   )(resid 16 and name H1'  )  3.40  1.60  1.60
assign (resid 16 and name H8   )(resid 16 and name H2'  )  2.90  1.10  1.10
assign (resid 16 and name H8   )(resid 16 and name H3'  )  3.40  1.60  1.60
assign (resid 16 and name H8   )(resid 16 and name H4'  )  3.40  1.60  1.60
assign (resid 16 and name H8   )
(resid 16 and name H5' or resid 16 and name H5'' )  	   3.90  2.10  1.10

assign (resid 17 and name H1'  )(resid 16 and name H2'  )  3.40  1.60  1.60
assign (resid 17 and name H2'  )(resid 17 and name H1'  )  2.40  0.60  0.60
assign (resid 17 and name H3'  )(resid 17 and name H1'  )  2.90  1.10  1.10
assign (resid 17 and name H3'  )(resid 17 and name H2'  )  2.40  0.60  0.60
assign (resid 17 and name H4'  )(resid 17 and name H1'  )  2.90  1.10  1.10
assign (resid 17 and name H4'  )(resid 17 and name H2'  )  2.90  1.10  1.10
assign (resid 17 and name H4'  )(resid 17 and name H3'  )  2.40  0.60  0.60
assign (resid 17 and name H5' or resid 17 and name H5'')
(resid 17 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 17 and name H5' or resid 17 and name H5'')
(resid 17 and name H4'  ) 				   2.90  1.10  1.10
assign (resid 17 and name H8   )(resid 16 and name H1'  )  3.40  1.60  1.60
assign (resid 17 and name H8   )(resid 16 and name H2'  )  2.40  0.60  0.60
assign (resid 17 and name H8   )(resid 16 and name H3'  )  2.90  1.10  1.10
assign (resid 17 and name H8   )(resid 16 and name H8   )  3.40  1.60  2.60
assign (resid 17 and name H8   )(resid 17 and name H1'  )  2.90  1.10  1.10
assign (resid 17 and name H8   )(resid 17 and name H2'  )  3.40  1.60  1.60
assign (resid 17 and name H8   )(resid 17 and name H3'  )  2.90  1.10  1.10
assign (resid 17 and name H8   )(resid 17 and name H4'  )  3.40  1.60  1.60
assign (resid 17 and name H8   )
(resid 17 and name H5' or resid 17 and name H5'') 	   3.90  2.10  1.10

assign (resid 18 and name H1'  )(resid 17 and name H2'  )  3.40  1.60  1.60
assign (resid 18 and name H2'  )(resid 18 and name H1'  )  2.40  0.60  0.60
assign (resid 18 and name H3'  )(resid 18 and name H1'  )  2.90  1.10  1.10
assign (resid 18 and name H4'  )(resid 18 and name H1'  )  2.90  1.10  1.10
assign (resid 18 and name H4'  )(resid 18 and name H3'  )  2.40  0.60  0.60
assign (resid 18 and name H5' or resid 18 and name H5'' )
(resid 17 and name H2'  ) 				   3.90  2.10  1.10
assign (resid 18 and name H5' or resid 18 and name H5'' )
(resid 18 and name H1'  ) 				   3.90  2.10  1.10
assign (resid 18 and name H5' or resid 18 and name H5'' )
(resid 18 and name H3'  )  				   3.40  1.60  0.60
assign (resid 18 and name H5' or resid 18 and name H5'' )
(resid 18 and name H4'  )  				   2.90  1.10  0.10
assign (resid 18 and name H41  )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 18 and name H42  )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 18 and name H6   )(resid 17 and name H1'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )(resid 17 and name H2'  )  2.90  1.10  1.10
assign (resid 18 and name H6   )(resid 17 and name H3'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )(resid 18 and name H1'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )(resid 18 and name H2'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )(resid 18 and name H3'  )  2.40  0.60  0.60
assign (resid 18 and name H6   )(resid 18 and name H4'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )
(resid 18 and name H5' or resid 18 and name H5'' )  	   3.90  2.10  1.10
assign (resid 18 and name H5   )(resid 17 and name H2'  )  3.65  1.85  2.35
assign (resid 18 and name H5   )(resid 17 and name H3'  )  3.65  1.85  1.35
assign (resid 18 and name H5   )(resid 18 and name H3'  )  3.40  1.60  2.60

assign (resid 19 and name H2'  )(resid 19 and name H1'  )  2.40  0.60  0.60
assign (resid 19 and name H3'  )(resid 19 and name H1'  )  2.90  1.10  1.10
assign (resid 19 and name H3'  )(resid 19 and name H2'  )  2.40  0.60  0.60
assign (resid 19 and name H4'  )(resid 19 and name H2'  )  3.40  1.60  1.60
assign (resid 19 and name H42  )(resid 18 and name H42  )  3.90  2.10  2.10
assign (resid 19 and name H42  )(resid 18 and name H5   )  3.90  2.10  2.10
assign (resid 19 and name H6   )(resid 18 and name H2'  )  2.40  0.60  0.60
assign (resid 19 and name H6   )(resid 18 and name H3'  )  2.90  1.10  1.10
assign (resid 19 and name H6   )(resid 19 and name H1'  )  3.40  1.60  1.60
assign (resid 19 and name H6   )(resid 19 and name H3'  )  2.90  1.10  1.10
assign (resid 19 and name H6   )
(resid 19 and name H5' or resid 19 and name H5'' ) 	   3.90  2.10  1.10
assign (resid 19 and name H5   )(resid 18 and name H41  )  3.90  2.10  2.10
assign (resid 19 and name H5   )(resid 18 and name H42  )  3.90  2.10  2.10
assign (resid 19 and name H5   )(resid 18 and name H5   )  3.40  1.60  2.60

assign (resid 20 and name H1'  )(resid 19 and name H2'  )  3.40  1.60  1.60
assign (resid 20 and name H2'  )(resid 20 and name H1'  )  2.40  0.60  0.60
assign (resid 20 and name H3'  )(resid 19 and name H2'  )  3.40  1.60  1.60
assign (resid 20 and name H3'  )(resid 20 and name H1'  )  2.90  1.10  1.10
assign (resid 20 and name H3'  )(resid 20 and name H2'  )  2.40  0.60  0.60
assign (resid 20 and name H4'  )(resid 20 and name H1'  )  2.90  1.10  1.10
assign (resid 20 and name H4'  )(resid 20 and name H2'  )  2.90  1.10  1.10
assign (resid 20 and name H4'  )(resid 20 and name H3'  )  2.40  0.60  0.60
assign (resid 20 and name H5' or resid 20 and name H5'')
(resid 20 and name H3'  )  				   3.40  1.60  1.60
assign (resid 20 and name H5' or resid 20 and name H5'')
(resid 20 and name H4'  ) 				   2.90  1.10  1.10
assign (resid 20 and name H8   )(resid 19 and name H1'  )  3.40  1.60  1.60
assign (resid 20 and name H8   )(resid 19 and name H2'  )  2.40  0.60  0.60
assign (resid 20 and name H8   )(resid 19 and name H3'  )  2.90  1.10  1.10
assign (resid 20 and name H8   )(resid 19 and name H6   )  3.40  1.60  2.60
assign (resid 20 and name H8   )(resid 20 and name H1'  )  3.40  1.60  1.60
assign (resid 20 and name H8   )(resid 20 and name H2'  )  3.40  1.60  1.60
assign (resid 20 and name H8   )(resid 20 and name H3'  )  2.90  1.10  1.10
assign (resid 20 and name H8   )(resid 20 and name H4'  )  3.40  1.60  1.60
assign (resid 20 and name H8   )
(resid 20 and name H5' or resid 20 and name H5'')  	   3.90  2.10  1.10
assign (resid 20 and name H2   )(resid 20 and name H1'  )  3.40  1.60  1.60
assign (resid 20 and name H2   )(resid 20 and name H2'  )  3.40  1.60  1.60

assign (resid 21 and name H1'  )(resid 20 and name H2'  )  3.40  1.60  1.60
assign (resid 21 and name H1'  )(resid 20 and name H2   )  2.90  1.10  1.10
assign (resid 21 and name H2'  )(resid 21 and name H1'  )  2.40  0.60  0.60
assign (resid 21 and name H3'  )(resid 20 and name H2'  )  3.40  1.60  1.60
assign (resid 21 and name H3'  )(resid 21 and name H1'  )  3.40  1.60  1.60
assign (resid 21 and name H3'  )(resid 21 and name H2'  )  2.40  0.60  0.60
assign (resid 21 and name H4'  )(resid 21 and name H1'  )  2.90  1.10  1.10
assign (resid 21 and name H4'  )(resid 21 and name H3'  )  2.40  0.60  0.60
assign (resid 21 and name H5' or resid 21 and name H5'')
(resid 20 and name H2'  )  				   3.90  2.10  1.10
assign (resid 21 and name H5' or resid 21 and name H5'')
(resid 21 and name H3'  )  				   3.90  2.10  1.10
assign (resid 21 and name H5' or resid 21 and name H5'')
(resid 21 and name H4'  )  				   2.90  1.10  0.10
assign (resid 21 and name H8   )(resid 20 and name H1'  )  3.40  1.60  1.60
assign (resid 21 and name H8   )(resid 20 and name H2'  )  2.40  0.60  0.60
assign (resid 21 and name H8   )(resid 20 and name H3'  )  2.90  1.10  1.10
assign (resid 21 and name H8   )(resid 20 and name H8   )  3.40  1.60  2.60
assign (resid 21 and name H8   )(resid 20 and name H2   )  3.40  1.60  1.60
assign (resid 21 and name H8   )(resid 21 and name H1'  )  3.40  1.60  1.60
assign (resid 21 and name H8   )(resid 21 and name H2'  )  3.40  1.60  1.60
assign (resid 21 and name H8   )(resid 21 and name H3'  )  2.40  0.60  0.60
assign (resid 21 and name H8   )(resid 21 and name H4'  )  3.40  1.60  1.60
assign (resid 21 and name H8   )
(resid 21 and name H5' or resid 21 and name H5'')          3.90  2.10  1.10
assign (resid 21 and name H1   )(resid 20 and name H2   )  3.90  2.10  2.10

assign (resid 22 and name H1'  )(resid 21 and name H2'  )  3.40  1.60  1.60
assign (resid 22 and name H2'  )(resid 22 and name H1'  )  2.40  0.60  0.60
assign (resid 22 and name H3'  )(resid 22 and name H1'  )  2.90  1.10  1.10
assign (resid 22 and name H3'  )(resid 22 and name H2'  )  2.40  0.60  0.60
assign (resid 22 and name H4'  )(resid 22 and name H1'  )  2.90  1.10  1.10
assign (resid 22 and name H4'  )(resid 22 and name H2'  )  2.90  1.10  1.10
assign (resid 22 and name H4'  )(resid 22 and name H3'  )  2.40  0.60  0.60
assign (resid 22 and name H5' or resid 22 and name H5'')
(resid 22 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 22 and name H8   )(resid 21 and name H1'  )  3.40  1.60  1.60
assign (resid 22 and name H8   )(resid 21 and name H2'  )  2.40  0.60  0.60
assign (resid 22 and name H8   )(resid 21 and name H3'  )  3.40  1.60  1.60
assign (resid 22 and name H8   )(resid 21 and name H8   )  3.40  1.60  2.60
assign (resid 22 and name H8   )(resid 22 and name H1'  )  3.40  1.60  1.60
assign (resid 22 and name H8   )(resid 22 and name H2'  )  3.40  1.60  1.60
assign (resid 22 and name H8   )(resid 22 and name H3'  )  2.90  1.10  1.10
assign (resid 22 and name H8   )(resid 22 and name H4'  )  3.40  1.60  1.60
assign (resid 22 and name H2   )(resid 21 and name H1   )  3.40  1.60  1.60
assign (resid 22 and name H2   )(resid 21 and name H22  )  3.90  2.10  2.10
assign (resid 22 and name H2   )(resid 22 and name H1'  )  3.40  1.60  1.60
assign (resid 22 and name H2   )(resid 22 and name H2'  )  3.90  2.10  2.10

! internucleotide noes to U23

assign (resid 23 and name H5' or resid 23 and name H5'')
(resid 22 and name H2'	)				   2.90	 1.10  2.10
assign (resid 23 and name H1'  )
(resid 26 and name H2' or resid 26 and name H3' )          2.90  1.10  1.10
assign (resid 23 and name H1'  )(resid 26 and name H4'  )  3.40  1.60  1.60
assign (resid 23 and name H1'  )
(resid 26 and name H5' or resid 26 and name H5'')          2.90  1.10  1.10
assign (resid 23 and name H1'  )(resid 26 and name H8   )  2.90  1.10  1.10
assign (resid 23 and name H4'  )
(resid 26 and name H5' or resid 26 and name H5'')          3.40  1.60  1.60
assign (resid 23 and name H4'  )(resid 26 and name H8   )  3.40  1.60  1.60

! intranucleotide U23 noes

assign (resid 23 and name H2'  )(resid 23 and name H1'  )  2.40  0.60  0.60
assign (resid 23 and name H3'  )(resid 23 and name H1'  )  3.40  1.60  1.60
assign (resid 23 and name H3'  )(resid 23 and name H2'  )  2.40  0.60  0.60
assign (resid 23 and name H3'  )
(resid 23 and name H5' or resid 23 and name H5'')          3.40  1.60  1.60
assign (resid 23 and name H4'  )(resid 23 and name H1'  )  2.40  0.60  1.60
assign (resid 23 and name H4'  )(resid 23 and name H2'  )  2.90  1.10  1.10
assign (resid 23 and name H4'  )(resid 23 and name H3'  )  2.40  0.60  0.60
assign (resid 23 and name H5' or resid 23 and name H5'')
(resid 23 and name H1'  )     				   3.65  1.85  1.35
assign (resid 23 and name H5' or resid 23 and name H5'')
(resid 23 and name H4'  )  				   2.65  0.85  0.35
assign (resid 23 and name H6   )(resid 23 and name H1'  )  2.90  1.10  1.10
assign (resid 23 and name H6   )(resid 23 and name H2'  )  2.90  1.10  1.10
assign (resid 23 and name H6   )(resid 23 and name H3'  )  2.90  1.10  2.10
assign (resid 23 and name H6   )(resid 23 and name H4'  )  2.90  1.10  2.10
assign (resid 23 and name H5   )(resid 23 and name H2'  )  3.65  1.85  2.35

! internucleotide noes to U25

assign (resid 25 and name H3'  )(resid 23 and name H4'  )  2.90  1.10  1.10
assign (resid 25 and name H1'  )(resid 42 and name H1'  )  3.40  1.60  1.60

!intranucleotide noes to U25

assign (resid 25 and name H2'  )(resid 25 and name H1'  )  2.40  0.60  0.60
assign (resid 25 and name H3'  )(resid 25 and name H1'  )  2.90  1.10  1.10
assign (resid 25 and name H3'  )(resid 25 and name H2'  )  2.40  0.60  0.60
assign (resid 25 and name H4'  )(resid 25 and name H1'  )  2.40  0.60  1.60
assign (resid 25 and name H4'  )(resid 25 and name H2'  )  3.40  1.60  1.60
assign (resid 25 and name H4'  )(resid 25 and name H3'  )  2.40  0.60  0.60
assign (resid 25 and name H5' or resid 25 and name H5'')
(resid 25 and name H3'  ) 				   3.40  1.60  1.60
assign (resid 25 and name H5' or resid 25 and name H5'')
(resid 25 and name H4'  )				   2.90  1.10  0.10
assign (resid 25 and name H6   )(resid 25 and name H1'  )  2.90  1.10  1.10
assign (resid 25 and name H6   )(resid 25 and name H2'  )  2.40  0.60  0.60
assign (resid 25 and name H6   )(resid 25 and name H3'  )  2.90  1.10  2.10
assign (resid 25 and name H6   )(resid 25 and name H4'  )  3.40  1.60  1.60
assign (resid 25 and name H6   )
(resid 25 and name H5' or resid 25 and name H5'') 	   3.65  1.85  1.35
assign (resid 25 and name H5   )(resid 25 and name H2'  )  3.65  1.85  2.35

!upper stem

assign (resid 26 and name H1'  )(resid 22 and name H2   )  3.40  1.60  1.60
assign (resid 26 and name H2' or resid 26 and name H3' )
(resid 26 and name H1'  )  				   2.50  0.70  0.50
assign (resid 26 and name H4'  )(resid 26 and name H1'  )  2.40  0.60  1.60
assign (resid 26 and name H4'  )
(resid 26 and name H2' or resid 26 and name H3' ) 	   3.40  1.60  1.60
assign (resid 26 and name H5' or resid 26 and name H5'')
(resid 26 and name H1'  ) 				   3.90  2.10  1.10
assign (resid 26 and name H5' or resid 26 and name H5'')
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  2.10
assign (resid 26 and name H5' or resid 26 and name H5'')
(resid 26 and name H4'  )  				   2.90  1.10  0.10
assign (resid 26 and name H8   )(resid 22 and name H2'  )  3.65  1.85  1.85
assign (resid 26 and name H8   )(resid 22 and name H2   )  3.40  1.60  1.60
assign (resid 26 and name H8   )(resid 26 and name H1'  )  3.40  1.60  1.60
assign (resid 26 and name H8   )
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  1.10
assign (resid 26 and name H8   )(resid 26 and name H4'  )  3.40  1.60  1.60
assign (resid 26 and name H8   )
(resid 26 and name H5' or resid 26 and name H5'')   	   3.90  2.10  2.10
assign (resid 26 and name H1   )(resid 22 and name H2   )  3.40  1.60  1.60

assign (resid 27 and name H1'  )
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  2.10
assign (resid 27 and name H1'  )(resid 26 and name H22  )  3.90  2.10  2.10
assign (resid 27 and name H1'  )(resid 26 and name H21  )  3.90  2.10  2.10
assign (resid 27 and name H2'  )(resid 27 and name H1'  )  2.40  0.60  0.60
assign (resid 27 and name H3'  )
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  2.10
assign (resid 27 and name H3'  )(resid 27 and name H1'  )  2.90  1.10  1.10
assign (resid 27 and name H3'  )(resid 27 and name H2'  )  2.40  0.60  0.60
assign (resid 27 and name H4'  )(resid 27 and name H1'  )  2.90  1.10  1.10
assign (resid 27 and name H4'  )(resid 27 and name H2'  )  3.40  1.60  1.60
assign (resid 27 and name H4'  )(resid 27 and name H3'  )  2.40  0.60  0.60
assign (resid 27 and name H5' or resid 27 and name H5'' )
(resid 26 and name H2' or resid 26 and name H3' ) 	   4.40  2.60  2.60
assign (resid 27 and name H5' or resid 27 and name H5'' )
(resid 27 and name H3'  )  				   3.90  2.10  1.10
assign (resid 27 and name H5' or resid 27 and name H5'' )
(resid 27 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 27 and name H8   )(resid 26 and name H1'  )  3.40  1.60  1.60
assign (resid 27 and name H8   )
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  2.10
assign (resid 27 and name H8   )(resid 26 and name H8   )  3.40  1.60  2.60
assign (resid 27 and name H8   )(resid 27 and name H1'  )  3.40  1.60  1.60
assign (resid 27 and name H8   )(resid 27 and name H2'  )  3.40  1.60  1.60
assign (resid 27 and name H8   )(resid 27 and name H3'  )  2.90  1.10  1.10
assign (resid 27 and name H8   )(resid 27 and name H4'  )  3.40  1.60  1.60
assign (resid 27 and name H8   )
(resid 27 and name H5' or resid 27 and name H5'' ) 	   3.90  2.10  1.10
assign (resid 27 and name H2   )(resid 26 and name H1   )  3.90  2.10  2.10
assign (resid 27 and name H61 or resid 27 and name H62)
(resid 26 and name H1   ) 				   3.90  2.10  2.10

assign (resid 28 and name H1'  )(resid 27 and name H2'  )  3.40  1.60  1.60
assign (resid 28 and name H1'  )(resid 27 and name H2   )  2.90  1.10  1.10
assign (resid 28 and name H2'  )(resid 28 and name H1'  )  2.40  0.60  0.60
assign (resid 28 and name H3'  )(resid 27 and name H2'  )  3.40  1.60  1.60
assign (resid 28 and name H3'  )(resid 28 and name H1'  )  3.40  1.60  1.60
assign (resid 28 and name H3'  )(resid 28 and name H2'  )  2.40  0.60  0.60
assign (resid 28 and name H4'  )(resid 28 and name H1'  )  2.90  1.10  1.10
assign (resid 28 and name H4'  )(resid 28 and name H2'  )  2.90  1.10  1.10
assign (resid 28 and name H4'  )(resid 28 and name H3'  )  2.40  0.60  0.60
assign (resid 28 and name H5' or resid 28 and name H5'' )
(resid 27 and name H2'  )  				   3.90  2.10  1.10
assign (resid 28 and name H5' or resid 28 and name H5'' )
(resid 28 and name H3'  )  				   3.40  1.60  0.60
assign (resid 28 and name H5' or resid 28 and name H5'' )
(resid 28 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 28 and name H8   )(resid 27 and name H1'  )  2.90  1.10  2.10
assign (resid 28 and name H8   )(resid 27 and name H2'  )  2.40  0.60  0.60
assign (resid 28 and name H8   )(resid 27 and name H3'  )  2.90  1.10  1.10
assign (resid 28 and name H8   )(resid 27 and name H8   )  3.40  1.60  2.60
assign (resid 28 and name H8   )(resid 28 and name H1'  )  3.40  1.60  1.60
assign (resid 28 and name H8   )(resid 28 and name H2'  )  3.40  1.60  1.60
assign (resid 28 and name H8   )(resid 28 and name H3'  )  2.90  1.10  1.10
assign (resid 28 and name H8   )(resid 28 and name H4'  )  3.40  1.60  1.60
assign (resid 28 and name H8   )
(resid 28 and name H5' or resid 28 and name H5'' )  	   3.65  1.85  1.35
assign (resid 28 and name H1   )(resid 27 and name H2   )  3.90  2.10  2.10
assign (resid 28 and name H1   )
(resid 27 and name H61 or resid 27 and name H62)  	   3.90  2.10  2.10

assign (resid 29 and name H1'  )(resid 28 and name H2'  )  3.40  1.60  1.60
assign (resid 29 and name H2'  )(resid 29 and name H1'  )  2.40  0.60  0.60
assign (resid 29 and name H3'  )(resid 29 and name H1'  )  2.90  1.10  1.10
assign (resid 29 and name H3'  )(resid 29 and name H2'  )  2.40  0.60  0.60
assign (resid 29 and name H4'  )(resid 29 and name H1'  )  2.90  1.10  1.10
assign (resid 29 and name H4'  )(resid 29 and name H2'  )  2.90  1.10  1.10
assign (resid 29 and name H41  )(resid 28 and name H1   )  3.90  2.10  2.10
assign (resid 29 and name H42  )(resid 28 and name H1   )  3.90  2.10  2.10
assign (resid 29 and name H6   )(resid 28 and name H1'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 28 and name H2'  )  2.40  0.60  0.60
assign (resid 29 and name H6   )(resid 28 and name H3'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 28 and name H8   )  3.40  1.60  2.60
assign (resid 29 and name H6   )(resid 29 and name H1'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 29 and name H2'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 29 and name H3'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 29 and name H4'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )
(resid 29 and name H5' or resid 29 and name H5'' )	   3.90  2.10  1.10
assign (resid 29 and name H5   )(resid 28 and name H2'  )  3.90  2.10  2.10
assign (resid 29 and name H5   )(resid 28 and name H3'  )  3.65  1.85  1.35
assign (resid 29 and name H5   )(resid 28 and name H8   )  3.65  1.85  2.35
assign (resid 29 and name H5   )(resid 28 and name H1   )  3.90  2.10  2.10
assign (resid 29 and name H5   )(resid 29 and name H3'  )  3.40  1.60  2.60

!6 nucleotide TAR loop

assign (resid 30 and name H1' ) (resid 29 and name H2')    2.40  0.60  2.60
assign (resid 30 and name H2' ) (resid 29 and name H2')    2.40  0.60  2.60
assign (resid 30 and name H2'  )(resid 30 and name H1'  )  2.40  0.60  0.60
assign (resid 30 and name H3'  )(resid 30 and name H1'  )  3.40  1.60  1.60
assign (resid 30 and name H3'  )(resid 30 and name H2'  )  2.40  0.60  0.60
assign (resid 30 and name H4'  )(resid 29 and name H2'  )  2.90  1.10  2.10
assign (resid 30 and name H4'  )(resid 30 and name H1'  )  2.90  1.10  1.10
assign (resid 30 and name H4'  )(resid 30 and name H2'  )  3.40  1.60  1.60
assign (resid 30 and name H4'  )(resid 30 and name H3'  )  2.40  0.60  0.60
assign (resid 30 and name H5' or resid 30 and name H5'' )
(resid 30 and name H3'  ) 			           3.90  2.10  1.10
assign (resid 30 and name H5' or resid 30 and name H5'' )
(resid 30 and name H4'  )  				   3.40  1.60  0.60
assign (resid 30 and name H6   )(resid 29 and name H1'  )  3.40  1.60  1.60
assign (resid 30 and name H6   )(resid 29 and name H2'  )  2.40  0.60  0.60
assign (resid 30 and name H6   )(resid 29 and name H6   )  3.90  2.10  2.10
assign (resid 30 and name H6   )(resid 30 and name H1'  )  3.40  1.60  1.60
assign (resid 30 and name H6   )(resid 30 and name H3'  )  3.40  1.60  1.60
assign (resid 30 and name H6   )(resid 30 and name H4'  )  3.40  1.60  2.60
assign (resid 30 and name H5   )(resid 29 and name H41  )  3.90  2.10  2.10
assign (resid 30 and name H5   )(resid 29 and name H42  )  3.90  2.10  2.10
assign (resid 30 and name H5   )(resid 29 and name H5   )  3.65  1.85  2.35

assign (resid 31 and name H2'  )(resid 31 and name H1'  )  2.40  0.60  0.60
assign (resid 31 and name H3'  )(resid 31 and name H1'  )  3.40  1.60  1.60
assign (resid 31 and name H4'  )(resid 31 and name H1'  )  2.90  1.10  1.10
assign (resid 31 and name H4'  )(resid 31 and name H2'  )  3.40  1.60  1.60
assign (resid 31 and name H4'  )(resid 31 and name H3'  )  2.40  0.60  0.60
assign (resid 31 and name H5' or resid 31 and name H5'' )
(resid 30 and name H2'  )  				   3.90  2.10  2.10
assign (resid 31 and name H5' or resid 31 and name H5'' )
(resid 31 and name H2'  ) 				   3.90  2.10  2.10
assign (resid 31 and name H5' or resid 31 and name H5'' )
(resid 31 and name H3'  )  				   3.90  2.10  2.10
assign (resid 31 and name H5' or resid 31 and name H5'' )
(resid 31 and name H4'  ) 				   2.90  1.10  1.10
assign (resid 31 and name H6   )(resid 30 and name H2'  )  3.40  1.60  1.60
assign (resid 31 and name H6   )(resid 30 and name H4'  )  3.40  1.60  1.60
assign (resid 31 and name H6   )(resid 31 and name H1'  )  2.90  1.10  1.10
assign (resid 31 and name H6   )(resid 31 and name H3'  )  2.90  1.10  2.10
assign (resid 31 and name H6   )(resid 31 and name H4'  )  2.90  1.10  2.10
assign (resid 31 and name H6   )
(resid 31 and name H5' or resid 31 and name H5''  ) 	    2.90  1.10  2.10

assign (resid 32 and name H2'  )(resid 32 and name H1'  )  2.40  0.60  0.60
assign (resid 32 and name H3'  )(resid 32 and name H1'  )  3.40  1.60  1.60
assign (resid 32 and name H3'  )(resid 32 and name H2'  )  2.40  0.60  0.60
assign (resid 32 and name H4'  )(resid 32 and name H1'  )  2.90  1.10  1.10
assign (resid 32 and name H4'  )(resid 32 and name H2'  )  3.40  1.60  1.60
assign (resid 32 and name H4'  )(resid 32 and name H3'  )  2.40  0.60  0.60
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 31 and name H2'  ) 				   3.90  2.10  2.10
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 32 and name H1'  )  				   3.90  2.10  2.10
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 32 and name H2'  )				   3.90  2.10  2.10
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 32 and name H3'  )				   3.40  1.60  1.60
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 32 and name H4'  )				   2.90  1.10  1.10
assign (resid 32 and name H8   )(resid 32 and name H1'  )  2.90  1.10  1.10
assign (resid 32 and name H8   )(resid 32 and name H2'  )  2.90  1.10  1.10
assign (resid 32 and name H8   )(resid 32 and name H3'  )  3.40  1.60  1.60
assign (resid 32 and name H8   )(resid 32 and name H4'  )  3.40  1.60  1.60
assign (resid 32 and name H8   )
(resid 32 and name H5' or resid 32 and name H5'' )  	   3.90  2.10  2.10

assign (resid 33 and name H2'  )(resid 33 and name H1'  )  2.40  0.60  0.60
assign (resid 33 and name H3'  )(resid 33 and name H1'  )  3.40  1.60  1.60
assign (resid 33 and name H3'  )(resid 33 and name H2'  )  2.90  1.10  1.10
assign (resid 33 and name H4'  )(resid 33 and name H2'  )  3.40  1.60  1.60
assign (resid 33 and name H4'  )(resid 33 and name H3'  )  2.40  0.60  0.60
assign (resid 33 and name H5' or resid 33 and name H5'' )
(resid 33 and name H1'  ) 				   3.90  2.10  1.10
assign (resid 33 and name H5' or resid 33 and name H5'' )
(resid 33 and name H2'  ) 				   3.90  2.10  1.10
assign (resid 33 and name H5' or resid 33 and name H5'' )
(resid 33 and name H3'  ) 				   3.40  1.60  1.60
assign (resid 33 and name H5' or resid 33 and name H5'' )
(resid 33 and name H4'  )  				   2.90  1.10  0.10
assign (resid 33 and name H8   )(resid 32 and name H1'  )  2.90  1.10  1.10
assign (resid 33 and name H8   )(resid 33 and name H1'  )  3.40  1.60  1.60
assign (resid 33 and name H8   )(resid 33 and name H2'  )  2.90  1.10  1.10
assign (resid 33 and name H8   )(resid 33 and name H3'  )  3.40  1.60  1.60
assign (resid 33 and name H8   )(resid 33 and name H4'  )  2.90  1.10  2.10

assign (resid 34 and name H2'  )(resid 34 and name H1'  )  2.40  0.60  0.60
assign (resid 34 and name H3'  )(resid 34 and name H1'  )  2.90  1.10  1.10
assign (resid 34 and name H3'  )(resid 34 and name H2'  )  2.90  1.10  0.10
assign (resid 34 and name H4'  )(resid 34 and name H1'  )  2.90  1.10  1.10
assign (resid 34 and name H4'  )(resid 34 and name H3'  )  2.40  0.60  0.60
assign (resid 34 and name H5' or resid 34 and name H5'' )
(resid 34 and name H1'  )  				   3.90  2.10  1.10
assign (resid 34 and name H5' or resid 34 and name H5'' )
(resid 34 and name H3'  )  				   3.90  2.10  1.10
assign (resid 34 and name H5' or resid 34 and name H5'' )
(resid 34 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 34 and name H8   )(resid 34 and name H1'  )  2.90  1.10  1.10
assign (resid 34 and name H8   )(resid 34 and name H2'  )  2.40  0.60  0.60
assign (resid 34 and name H8   )(resid 34 and name H3'  )  3.40  1.60  1.60
assign (resid 34 and name H8   )
(resid 34 and name H5' or resid 34 and name H5'' )  	   3.90  2.10  2.10

assign (resid 35 and name H2'  )(resid 35 and name H1'  )  2.40  0.60  0.60
assign (resid 35 and name H3'  )(resid 35 and name H1'  )  3.40  1.60  1.60
assign (resid 35 and name H4'  )(resid 35 and name H1'  )  2.90  1.10  1.10
assign (resid 35 and name H4'  )(resid 35 and name H2'  )  2.90  1.10  1.10
assign (resid 35 and name H4'  )(resid 35 and name H3'  )  2.40  0.60  0.60
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 34 and name H3'  )				   3.90  2.10  2.10
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 35 and name H1'  ) 				   3.90  2.10  2.10
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 35 and name H2'  )  				   3.90  2.10  2.10
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 35 and name H3'  )				   3.90  2.10  2.10
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 35 and name H4'  ) 				   2.90  1.10  1.10
assign (resid 35 and name H8   )(resid 34 and name H3'  )  3.40  1.60  1.60
assign (resid 35 and name H8   )(resid 35 and name H1'  )  3.40  1.60  1.60
assign (resid 35 and name H8   )(resid 35 and name H2'  )  2.90  1.10  2.10
assign (resid 35 and name H8   )(resid 35 and name H3'  )  2.90  1.10  2.10
assign (resid 35 and name H8   )(resid 35 and name H4'  )  3.40  1.60  1.60
assign (resid 35 and name H8   )
(resid 35 and name H5' or resid 35 and name H5'' ) 	   3.90  2.10  1.10

!upper stem

assign (resid 36 and name H1'  )(resid 34 and name H1'  )  3.40  1.60  1.60
assign (resid 36 and name H2'  )(resid 36 and name H1'  )  2.40  0.60  0.60
assign (resid 36 and name H3'  )(resid 36 and name H1'  )  3.40  1.60  1.60
assign (resid 36 and name H3'  )(resid 36 and name H2'  )  2.40  0.60  0.60
assign (resid 36 and name H4'  )(resid 36 and name H1'  )  3.40  1.60  1.60
assign (resid 36 and name H4'  )(resid 36 and name H2'  )  3.40  1.60  1.60
assign (resid 36 and name H4'  )(resid 36 and name H3'  )  2.40  0.60  0.60
assign (resid 36 and name H5' or resid 36 and name H5'' )
(resid 36 and name H3'  )				   3.90  2.10  1.10
assign (resid 36 and name H5' or resid 36 and name H5'' )
(resid 36 and name H4'  )				   2.90  1.10  0.10
assign (resid 36 and name H8   )(resid 34 and name H1'  )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 35 and name H2'  )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 35 and name H3'  )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 34 and name H8   )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 35 and name H8   )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 36 and name H1'  )  3.40  1.60  1.60
assign (resid 36 and name H8   )(resid 36 and name H2'  )  3.40  1.60  1.60
assign (resid 36 and name H8   )(resid 36 and name H3'  )  3.40  1.60  1.60
assign (resid 36 and name H8   )(resid 36 and name H4'  )  3.40  1.60  1.60
assign (resid 36 and name H8   )
(resid 36 and name H5' or resid 36 and name H5'' )         3.90  2.10  1.10
assign (resid 36 and name H1   )(resid 28 and name H1   )  3.40  1.60  1.60
assign (resid 36 and name H1   )(resid 29 and name H41  )  3.90  2.10  2.10
assign (resid 36 and name H1   )(resid 29 and name H42  )  2.90  1.10  1.10
assign (resid 36 and name H1   )(resid 29 and name H5   )  3.90  2.10  2.10
assign (resid 36 and name H1   )(resid 30 and name H1'  )  3.40  1.60  2.60
assign (resid 36 and name H1   )(resid 37 and name H1'  )  3.40  1.60  2.60

assign (resid 37 and name H1'  )(resid 36 and name H2'  )  3.40  1.60  1.60
assign (resid 37 and name H2'  )(resid 37 and name H1'  )  2.40  0.60  0.60
assign (resid 37 and name H3'  )(resid 37 and name H1'  )  2.90  1.10  1.10
assign (resid 37 and name H4'  )(resid 37 and name H1'  )  2.90  1.10  1.10
assign (resid 37 and name H41  )
(resid 27 and name H61 or resid 27 and name H62) 	   3.90  2.10  2.10
assign (resid 37 and name H42  )
(resid 27 and name H61 or resid 27 and name H62) 	   3.90  2.10  2.10
assign (resid 37 and name H41  )(resid 28 and name H1   )  3.90  1.10  2.10
assign (resid 37 and name H41  )(resid 36 and name H1   )  3.90  2.10  2.10
assign (resid 37 and name H42  )(resid 28 and name H1   )  2.90  1.10  1.10
assign (resid 37 and name H42  )(resid 36 and name H1   )  3.90  2.10  2.10
assign (resid 37 and name H6   )(resid 36 and name H1'  )  2.90  1.10  2.10
assign (resid 37 and name H6   )(resid 36 and name H2'  )  2.40  0.60  0.60
assign (resid 37 and name H6   )(resid 36 and name H3'  )  3.40  1.60  1.60
assign (resid 37 and name H6   )(resid 36 and name H8   )  3.40  1.60  2.60
assign (resid 37 and name H6   )(resid 37 and name H1'  )  3.40  1.60  1.60
assign (resid 37 and name H6   )(resid 37 and name H2'  )  3.40  1.60  1.60
assign (resid 37 and name H6   )(resid 37 and name H4'  )  3.40  1.60  1.60
assign (resid 37 and name H5   )(resid 28 and name H1   )  3.90  2.10  2.10
assign (resid 37 and name H5   )(resid 36 and name H2'  )  3.65  1.85  2.35
assign (resid 37 and name H5   )(resid 36 and name H3'  )  3.65  1.85  1.35
assign (resid 37 and name H5   )(resid 36 and name H8   )  3.65  1.85  2.35
assign (resid 37 and name H5   )(resid 36 and name H1   )  3.65  1.85  2.35

assign (resid 38 and name H1'  )(resid 27 and name H2   )  3.90  2.10  2.10
assign (resid 38 and name H1'  )(resid 37 and name H2'  )  3.40  1.60  1.60
assign (resid 38 and name H2'  )(resid 38 and name H1'  )  2.40  0.60  0.60
assign (resid 38 and name H3'  )(resid 38 and name H1'  )  3.40  1.60  1.60
assign (resid 38 and name H3'  )(resid 38 and name H2'  )  2.40  0.60  0.60
assign (resid 38 and name H4'  )(resid 38 and name H1'  )  2.90  1.10  1.10
assign (resid 38 and name H4'  )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 38 and name H5' or resid 38 and name H5'' )
(resid 38 and name H3'  )  				   3.40  1.60  0.60
assign (resid 38 and name H3   )(resid 26 and name H1   )  3.40  1.60  1.60
assign (resid 38 and name H3   )(resid 28 and name H1   )  3.40  1.60  1.60
assign (resid 38 and name H3   )(resid 27 and name H2   )  2.40  0.60  0.60
assign (resid 38 and name H3   )
(resid 27 and name H61 or resid 27 and name H62 )          2.90  1.10  1.10
assign (resid 38 and name H3   )(resid 37 and name H41  )  3.90  2.10  2.10
assign (resid 38 and name H3   )(resid 37 and name H42  )  3.90  2.10  2.10
assign (resid 38 and name H3   )(resid 38 and name H1'  )  3.40  1.60  1.60
assign (resid 38 and name H6   )(resid 37 and name H1'  )  2.90  1.10  2.10
assign (resid 38 and name H6   )(resid 37 and name H2'  )  2.40  0.60  0.60
assign (resid 38 and name H6   )(resid 37 and name H3'  )  2.90  1.10  1.10
assign (resid 38 and name H6   )(resid 37 and name H6   )  3.40  1.60  2.60
assign (resid 38 and name H6   )(resid 37 and name H5   )  3.40  1.60  2.60
assign (resid 38 and name H6   )(resid 38 and name H1'  )  2.90  1.10  1.10
assign (resid 38 and name H6   )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 38 and name H6   )(resid 38 and name H3'  )  2.40  0.60  0.60
assign (resid 38 and name H6   )(resid 38 and name H4'  )  3.40  1.60  1.60
assign (resid 38 and name H5   )(resid 37 and name H2'  )  3.90  2.10  2.10
assign (resid 38 and name H5   )(resid 37 and name H3'  )  3.40  1.60  1.60
assign (resid 38 and name H5   )(resid 37 and name H5   )  3.65  1.85  2.35
assign (resid 38 and name H5   )(resid 37 and name H6   )  3.65  1.85  2.35
assign (resid 38 and name H5   )(resid 38 and name H1'  )  3.65  1.85  2.35
assign (resid 38 and name H5   )(resid 38 and name H3   )  3.40  1.60  2.60

assign (resid 39 and name H1'  )(resid 27 and name H2   )  2.40  0.60  0.60
assign (resid 39 and name H1'  )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H1'  )(resid 38 and name H3   )  3.40  1.60  2.60
assign (resid 39 and name H2'  )(resid 26 and name H22  )  2.40  0.60  3.60
assign (resid 39 and name H2'  )(resid 26 and name H21  )  2.40  0.60  3.60
assign (resid 39 and name H2'  )(resid 39 and name H1'  )  2.40  0.60  0.60
assign (resid 39 and name H3'  )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H3'  )(resid 39 and name H1'  )  3.40  1.60  1.60
assign (resid 39 and name H3'  )(resid 39 and name H2'  )  2.40  0.60  0.60
assign (resid 39 and name H4'  )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H4'  )(resid 39 and name H1'  )  2.90  1.10  1.10
assign (resid 39 and name H4'  )(resid 39 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H4'  )(resid 39 and name H3'  )  2.90  1.10  1.10
assign (resid 39 and name H5' or resid 39 and name H5'' )
(resid 38 and name H2'  )  				   3.90  2.10  1.10
assign (resid 39 and name H5' or resid 39 and name H5'' )
(resid 39 and name H1'  )  				   3.90  2.10  1.10
assign (resid 39 and name H5' or resid 39 and name H5'' )
(resid 39 and name H3'  )  				   3.90  2.10  1.10
assign (resid 39 and name H5' or resid 39 and name H5'' )
(resid 39 and name H4'  )  				   3.90  2.10  1.10
assign (resid 39 and name H41  )(resid 26 and name H1   )  3.90  2.10  2.10
assign (resid 39 and name H42  )(resid 26 and name H1   )  2.90  1.10  1.10
assign (resid 39 and name H42  )(resid 26 and name H22  )  3.90  2.10  2.10
assign (resid 39 and name H41  )
(resid 27 and name H61 or resid 27 and name H62) 	  3.90  2.10  2.10
assign (resid 39 and name H42  )
(resid 27 and name H61 or resid 27 and name H62) 	   3.90  2.10  2.10
assign (resid 39 and name H42  )(resid 38 and name H5   )  3.90  2.10  2.10
assign (resid 39 and name H41  )(resid 38 and name H5   )  3.90  2.10  2.10
assign (resid 39 and name H41  )(resid 38 and name H3   )  3.90  2.10  2.10
assign (resid 39 and name H42  )(resid 38 and name H3   )  3.90  2.10  2.10
assign (resid 39 and name H6   )(resid 38 and name H1'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )(resid 38 and name H2'  )  2.40  0.60  0.60
assign (resid 39 and name H6   )(resid 38 and name H3'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )(resid 38 and name H6   )  3.40  1.60  2.60
assign (resid 39 and name H6   )(resid 39 and name H1'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )(resid 39 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )(resid 39 and name H3'  )  2.90  1.10  1.10
assign (resid 39 and name H6   )(resid 39 and name H4'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )
(resid 39 and name H5' or resid 39 and name H5'' )  	   3.90  2.10  0.10
assign (resid 39 and name H5   )
(resid 27 and name H61 or resid 27 and name H62)  	   4.40  2.60  1.60
assign (resid 39 and name H5   )(resid 38 and name H2'  )  3.65  1.85  2.35
assign (resid 39 and name H5   )(resid 38 and name H3   )  3.90  2.10  2.10
assign (resid 39 and name H5   )(resid 38 and name H6   )  3.65  1.85  2.35
assign (resid 39 and name H5   )(resid 38 and name H5   )  3.65  1.85  2.35
assign (resid 39 and name H5   )(resid 39 and name H1'  )  3.65  1.85  2.35

!lower stem

assign (resid 40 and name H1'  )(resid 26 and name H22  )  3.90  2.10  2.10
assign (resid 40 and name H1'  )(resid 26 and name H21  )  3.90  2.10  2.10
assign (resid 40 and name H1'  )(resid 39 and name H2'  )  3.40  1.60  1.60
assign (resid 40 and name H1'  )(resid 39 and name H3'  )  3.40  1.60  1.60
assign (resid 40 and name H2'  )(resid 26 and name H22  )  2.40  0.60  3.60
assign (resid 40 and name H2'  )(resid 26 and name H21  )  2.40  0.60  3.60
assign (resid 40 and name H2'  )(resid 40 and name H1'  )  2.40  0.60  0.60
assign (resid 40 and name H3'  )(resid 39 and name H2'  )  3.40  1.60  1.60
assign (resid 40 and name H3'  )(resid 40 and name H1'  )  2.90  1.10  1.10
assign (resid 40 and name H3'  )(resid 40 and name H2'  )  2.40  0.60  0.60
assign (resid 40 and name H4'  )(resid 40 and name H1'  )  2.90  1.10  1.10
assign (resid 40 and name H4'  )(resid 40 and name H2'  )  2.90  1.10  1.10
assign (resid 40 and name H5' or resid 40 and name H5'' )
(resid 39 and name H2'  )  				   3.90  2.10  1.10
assign (resid 40 and name H5' or resid 40 and name H5'' )
(resid 40 and name H3'  )  				   3.90  2.10  1.10
assign (resid 40 and name H3   )(resid 21 and name H1   )  3.40  1.60  1.60
assign (resid 40 and name H3   )(resid 22 and name H2   )  2.90  1.10  1.10
assign (resid 40 and name H3   )(resid 26 and name H1   )  3.40  1.60  1.60
assign (resid 40 and name H3   )(resid 39 and name H5   )  2.90  1.10  2.10
assign (resid 40 and name H3   )(resid 39 and name H42  )  3.90  2.10  2.10
assign (resid 40 and name H6   )(resid 39 and name H1'  )  3.40  1.60  1.60
assign (resid 40 and name H6   )(resid 39 and name H2'  )  2.40  0.60  0.60
assign (resid 40 and name H6   )(resid 39 and name H3'  )  2.90  1.10  1.10
assign (resid 40 and name H6   )(resid 39 and name H6   )  3.40  1.60  2.60
assign (resid 40 and name H6   )(resid 40 and name H1'  )  3.40  1.60  1.60
assign (resid 40 and name H6   )(resid 40 and name H2'  )  3.40  1.60  1.60
assign (resid 40 and name H6   )(resid 40 and name H3'  )  2.90  1.10  1.10
assign (resid 40 and name H6   )(resid 40 and name H4'  )  3.40  1.60  1.60
assign (resid 40 and name H5   )(resid 39 and name H2'  )  3.40  1.60  2.60
assign (resid 40 and name H5   )(resid 39 and name H3'  )  3.15  1.35  1.85
assign (resid 40 and name H5   )(resid 39 and name H5   )  3.65  1.85  2.35
assign (resid 40 and name H5   )(resid 39 and name H6   )  3.65  1.85  2.35
assign (resid 40 and name H5   )(resid 40 and name H1'  )  3.65  1.85  2.35
assign (resid 40 and name H5   )(resid 40 and name H3'  )  3.65  1.85  2.35

assign (resid 41 and name H1'  )(resid 22 and name H2   )  2.90  1.10  1.10
assign (resid 41 and name H1'  )(resid 40 and name H2'  )  3.40  1.60  1.60
assign (resid 41 and name H2'  )(resid 41 and name H1'  )  2.40  0.60  0.60
assign (resid 41 and name H3'  )(resid 40 and name H2'  )  3.40  1.60  1.60
assign (resid 41 and name H3'  )(resid 41 and name H1'  )  2.90  1.10  1.10
assign (resid 41 and name H3'  )(resid 41 and name H2'  )  2.40  0.60  0.60
assign (resid 41 and name H41  )(resid 21 and name H1   )  3.90  2.10  2.10
assign (resid 41 and name H42  )(resid 21 and name H1   )  2.90  1.10  1.10
assign (resid 41 and name H42  )(resid 21 and name H22  )  3.90  2.10  2.10
assign (resid 41 and name H42  )(resid 40 and name H3   )  3.90  2.10  2.10
assign (resid 41 and name H41  )(resid 40 and name H5   )  2.90  1.10  1.10
assign (resid 41 and name H42  )(resid 40 and name H5   )  3.90  2.10  2.10
assign (resid 41 and name H6   )(resid 40 and name H1'  )  3.40  1.60  1.60
assign (resid 41 and name H6   )(resid 40 and name H2'  )  2.40  0.60  0.60
assign (resid 41 and name H6   )(resid 40 and name H3'  )  2.90  1.10  1.10
assign (resid 41 and name H6   )(resid 40 and name H6   )  3.40  1.60  2.60
assign (resid 41 and name H6   )(resid 41 and name H1'  )  3.40  1.60  1.60
assign (resid 41 and name H6   )(resid 41 and name H2'  )  3.40  1.60  1.60
assign (resid 41 and name H6   )(resid 41 and name H3'  )  2.90  1.10  1.10
assign (resid 41 and name H6   )(resid 41 and name H4'  )  3.40  1.60  1.60
assign (resid 41 and name H6   )
(resid 41 and name H5' or resid 41 and name H5'' )  	   3.90  2.10  1.10
assign (resid 41 and name H5   )(resid 21 and name H1   )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H3   )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H2'  )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H3'  )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H6   )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H3   )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H5   )  3.65  1.85  2.35

assign (resid 42 and name H1'  )(resid 21 and name H22  )  3.90  2.10  2.10
assign (resid 42 and name H1'  )(resid 21 and name H21  )  3.90  2.10  2.10
assign (resid 42 and name H2'  )(resid 42 and name H1'  )  2.40  0.60  0.60
assign (resid 42 and name H3'  )(resid 41 and name H2'  )  3.40  1.60  1.60
assign (resid 42 and name H3'  )(resid 42 and name H1'  )  3.40  1.60  1.60
assign (resid 42 and name H3'  )(resid 42 and name H2'  )  2.40  0.60  0.60
assign (resid 42 and name H4'  )(resid 42 and name H1'  )  2.90  1.10  1.10
assign (resid 42 and name H4'  )(resid 42 and name H3'  )  2.40  0.60  0.60
assign (resid 42 and name H5' or resid 42 and name H5'' )
(resid 41 and name H2'  )  				   3.90  2.10  1.10
assign (resid 42 and name H5' or resid 42 and name H5'' )
(resid 42 and name H3'  )  				   3.40  1.60  1.60
assign (resid 42 and name H3   )(resid 19 and name H42  )  3.90  2.10  2.10
assign (resid 42 and name H3   )(resid 20 and name H2   )  2.90  1.10  1.10
assign (resid 42 and name H3   )(resid 21 and name H1   )  3.40  1.60  1.60
assign (resid 42 and name H3   )(resid 41 and name H42  )  3.90  2.10  2.10
assign (resid 42 and name H3   )(resid 42 and name H1'  )  3.40  1.60  1.60
assign (resid 42 and name H6   )(resid 41 and name H1'  )  3.40  1.60  1.60
assign (resid 42 and name H6   )(resid 41 and name H2'  )  2.90  1.10  1.10
assign (resid 42 and name H6   )(resid 42 and name H1'  )  3.40  1.60  1.60
assign (resid 42 and name H6   )(resid 42 and name H2'  )  2.90  1.10  2.10
assign (resid 42 and name H6   )(resid 42 and name H3'  )  2.90  1.10  1.10
assign (resid 42 and name H5   )(resid 21 and name H1   )  3.65  1.85  2.35
assign (resid 42 and name H5   )(resid 41 and name H2'  )  3.65  1.85  2.35
assign (resid 42 and name H5   )(resid 41 and name H3'  )  3.65  1.85  1.35
assign (resid 42 and name H5   )(resid 41 and name H41  )  3.90  2.10  2.10
assign (resid 42 and name H5   )(resid 41 and name H42  )  3.90  2.10  2.10
assign (resid 42 and name H5   )(resid 41 and name H5   )  3.65  1.85  2.35
assign (resid 42 and name H5   )(resid 42 and name H3'  )  3.65  1.85  2.35
assign (resid 42 and name H5   )(resid 42 and name H3   )  3.90  2.10  2.10

assign (resid 43 and name H1'  )(resid 20 and name H2   )  2.90  1.10  1.10
assign (resid 43 and name H1'  )(resid 42 and name H2'  )  3.40  1.60  1.60
assign (resid 43 and name H2'  )(resid 43 and name H1'  )  2.40  0.60  0.60
assign (resid 43 and name H3'  )(resid 43 and name H1'  )  2.90  1.10  1.10
assign (resid 43 and name H3'  )(resid 43 and name H2'  )  2.40  0.60  0.60
assign (resid 43 and name H4'  )(resid 43 and name H1'  )  2.90  1.10  1.10
assign (resid 43 and name H4'  )(resid 43 and name H2'  )  2.90  1.10  1.10
assign (resid 43 and name H4'  )(resid 43 and name H3'  )  2.40  0.60  0.60
assign (resid 43 and name H5' or resid 43 and name H5'' )
(resid 43 and name H3'  )  				   3.90  2.10  1.10
assign (resid 43 and name H5' or resid 43 and name H5'' )
(resid 43 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 43 and name H8   )(resid 42 and name H1'  )  3.40  1.60  1.60
assign (resid 43 and name H8   )(resid 42 and name H2'  )  2.40  0.60  0.60
assign (resid 43 and name H8   )(resid 42 and name H3'  )  2.90  1.10  1.10
assign (resid 43 and name H8   )(resid 42 and name H6   )  3.40  1.60  2.60
assign (resid 43 and name H8   )(resid 43 and name H1'  )  2.90  1.10  1.10
assign (resid 43 and name H8   )(resid 43 and name H2'  )  3.40  1.60  1.60
assign (resid 43 and name H8   )(resid 43 and name H3'  )  2.90  1.10  1.10
assign (resid 43 and name H8   )(resid 43 and name H4'  )  3.40  1.60  1.60
assign (resid 43 and name H8   )
(resid 43 and name H5' or resid 43 and name H5'' )         3.90  2.10  1.10
assign (resid 43 and name H1   )(resid 18 and name H41  )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 18 and name H42  )  2.90  1.10  1.10
assign (resid 43 and name H1   )(resid 19 and name H42  )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 44 and name H1'  )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 19 and name H5   )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 20 and name H2   )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 42 and name H3   )  3.40  1.60  1.60
assign (resid 43 and name H22  )(resid 20 and name H1'  )  3.90  2.10  2.10
assign (resid 43 and name H21  )(resid 20 and name H1'  )  3.90  2.10  2.10
assign (resid 43 and name H22  )(resid 44 and name H1'  )  3.90  2.10  2.10
assign (resid 43 and name H21  )(resid 44 and name H1'  )  3.90  2.10  2.10

assign (resid 44 and name H1'  )(resid 43 and name H2'  )  2.90  1.10  1.10
assign (resid 44 and name H2'  )(resid 44 and name H1'  )  2.40  0.60  0.60
assign (resid 44 and name H3'  )(resid 44 and name H1'  )  2.90  1.10  1.10
assign (resid 44 and name H4'  )(resid 44 and name H1'  )  3.40  1.60  1.60
assign (resid 44 and name H4'  )(resid 44 and name H3'  )  2.40  0.60  0.60
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 43 and name H2'  )  				   3.90  2.10  1.10
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 43 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 44 and name H1'  )  				   3.90  2.10  1.10
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 44 and name H3'  )  				   3.40  1.60  0.60
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 44 and name H4'  )  				   2.90  1.10  0.10
assign (resid 44 and name H8   )(resid 43 and name H1'  )  3.40  1.60  1.60
assign (resid 44 and name H8   )(resid 43 and name H2'  )  2.40  0.60  0.60
assign (resid 44 and name H8   )(resid 43 and name H3'  )  2.90  1.10  1.10
assign (resid 44 and name H8   )(resid 43 and name H8   )  3.40  1.60  2.60
assign (resid 44 and name H8   )(resid 44 and name H1'  )  2.90  1.10  1.10
assign (resid 44 and name H8   )(resid 44 and name H2'  )  3.40  1.60  1.60
assign (resid 44 and name H8   )(resid 44 and name H3'  )  2.90  1.10  1.10
assign (resid 44 and name H8   )(resid 44 and name H4'  )  3.40  1.60  1.60
assign (resid 44 and name H8   )
(resid 44 and name H5' or resid 44 and name H5'' )  	   3.90  2.10  1.10
assign (resid 44 and name H1   )(resid 17 and name H1   )  2.90  1.10  1.10
assign (resid 44 and name H1   )(resid 18 and name H41  )  3.40  1.60  2.60
assign (resid 44 and name H1   )(resid 18 and name H42  )  2.90  1.10  1.10
assign (resid 44 and name H1   )(resid 18 and name H5   )  3.90  2.10  2.10
assign (resid 44 and name H1   )(resid 19 and name H42  )  3.90  2.10  2.10
assign (resid 44 and name H1   )(resid 19 and name H5   )  3.90  2.10  2.10
assign (resid 44 and name H1   )(resid 43 and name H1   )  3.40  1.60  1.60

assign (resid 45 and name H1'  )(resid 44 and name H2'  )  3.40  1.60  1.60
assign (resid 45 and name H2'  )(resid 45 and name H1'  )  2.40  0.60  0.60
assign (resid 45 and name H3'  )(resid 45 and name H1'  )  2.90  1.10  1.10
assign (resid 45 and name H3'  )(resid 45 and name H2'  )  2.40  0.60  0.60
assign (resid 45 and name H4'  )(resid 45 and name H1'  )  2.90  1.10  1.10
assign (resid 45 and name H4'  )(resid 45 and name H2'  )  2.90  1.10  1.10
assign (resid 45 and name H4'  )(resid 45 and name H3'  )  2.40  0.60  0.60
assign (resid 45 and name H5' or resid 45 and name H5'' )
(resid 45 and name H3'  )				   3.90  2.10  1.10
assign (resid 45 and name H5' or resid 45 and name H5'' )
(resid 45 and name H4'  ) 				   3.40  1.60  0.60
assign (resid 45 and name H41  )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 45 and name H42  )(resid 17 and name H1   )  2.90  1.10  1.10
assign (resid 45 and name H42  )(resid 18 and name H42  )  3.90  2.10  2.10
assign (resid 45 and name H42  )(resid 18 and name H5   )  3.90  2.10  2.10
assign (resid 45 and name H42  )(resid 44 and name H1   )  3.90  2.10  2.10
assign (resid 45 and name H6   )(resid 44 and name H1'  )  3.40  1.60  1.60
assign (resid 45 and name H6   )(resid 44 and name H2'  )  2.40  0.60  0.60
assign (resid 45 and name H6   )(resid 44 and name H3'  )  2.90  1.10  1.10
assign (resid 45 and name H6   )(resid 44 and name H8   )  3.40  1.60  2.60
assign (resid 45 and name H6   )(resid 45 and name H1'  )  2.90  1.10  1.10
assign (resid 45 and name H6   )(resid 45 and name H2'  )  3.40  1.60  1.60
assign (resid 45 and name H6   )(resid 45 and name H3'  )  2.90  1.10  1.10
assign (resid 45 and name H6   )(resid 45 and name H4'  )  3.40  1.60  1.60
assign (resid 45 and name H6   )
(resid 45 and name H5' or resid 45 and name H5'' )  	   3.90  2.10  1.10
assign (resid 45 and name H5   )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 45 and name H5   )(resid 18 and name H42  )  3.90  2.10  2.10
assign (resid 45 and name H5   )(resid 44 and name H2'  )  3.65  1.85  2.35
assign (resid 45 and name H5   )(resid 44 and name H3'  )  3.65  1.85  2.35
assign (resid 45 and name H5   )(resid 44 and name H8   )  3.65  1.85  2.35
assign (resid 45 and name H5   )(resid 44 and name H1   )  3.90  2.10  2.10
assign (resid 45 and name H5   )(resid 45 and name H3'  )  3.65  1.85  2.35

assign (resid 46 and name H1'  )(resid 45 and name H2'  )  3.40  1.60  1.60
assign (resid 46 and name H2'  )(resid 46 and name H1'  )  2.40  0.60  0.60
assign (resid 46 and name H3'  )(resid 45 and name H2'  )  3.40  1.60  1.60
assign (resid 46 and name H3'  )(resid 46 and name H1'  )  2.90  1.10  1.10
assign (resid 46 and name H3'  )(resid 46 and name H2'  )  2.40  0.60  0.60
assign (resid 46 and name H4'  )(resid 45 and name H2'  )  3.40  1.60  1.60
assign (resid 46 and name H4'  )(resid 46 and name H1'  )  2.90  1.10  1.10
assign (resid 46 and name H4'  )(resid 46 and name H2'  )  2.90  1.10  1.10
assign (resid 46 and name H4'  )(resid 46 and name H3'  )  2.40  0.60  0.60
assign (resid 46 and name H5' or resid 46 and name H5'' )
(resid 45 and name H2'  ) 				   3.90  2.10  1.10
assign (resid 46 and name H5' or resid 46 and name H5'' )
(resid 45 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 46 and name H5' or resid 46 and name H5'' )
(resid 46 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 46 and name H5' or resid 46 and name H5'' )
(resid 46 and name H4'  ) 				   3.40  1.60  0.60
assign (resid 46 and name H6   )(resid 45 and name H2'  )  2.40  0.60  0.60
assign (resid 46 and name H6   )(resid 45 and name H3'  )  2.90  1.10  1.10
assign (resid 46 and name H6   )(resid 46 and name H1'  )  3.40  1.60  1.60
assign (resid 46 and name H6   )(resid 46 and name H2'  )  3.40  1.60  1.60
assign (resid 46 and name H6   )(resid 46 and name H3'  )  2.90  1.10  1.10
assign (resid 46 and name H6   )(resid 46 and name H4'  )  2.90  1.10  1.10
assign (resid 46 and name H6   )
(resid 46 and name H5' or resid 46 and name H5'' ) 	   3.90  2.10  1.10
assign (resid 46 and name H5   )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 46 and name H5   )(resid 45 and name H2'  )  3.65  1.85  2.35
assign (resid 46 and name H5   )(resid 45 and name H3'  )  3.65  1.85  2.35
assign (resid 46 and name H5   )(resid 45 and name H5   )  3.65  1.85  2.35
assign (resid 46 and name H42  )(resid 16 and name H1   )  3.65  2.35  2.35

! intermolecular argininamide noes
! residue number 47 is the argininamide 
! no intramolecular argininamide noes were used

assign (resid 47 and name HC1  )(resid 38 and name H5   )  3.40  1.60  2.60
assign (resid 47 and name HC2  )(resid 38 and name H5   )  3.40  1.60  2.60

assign (resid 47 and name HB1 or resid 47 and name HB2  )
(resid 27 and name H61 or resid 27 and name H61) 	   3.90  2.10  2.10
assign (resid 47 and name HB1 or resid 47 and name HB2  )
(resid 39 and name H41  ) 				   3.90  2.10  2.10
assign (resid 47 and name HB1 or resid 47 and name HB2  )
(resid 39 and name H42  ) 				   3.40  1.60  2.60

assign (resid 47 and name HG1 or resid 47 and name HG2  )
(resid 22 and name H8   )  				   3.40  1.60  1.60
assign (resid 47 and name HG1 or resid 47 and name HG2  )
(resid 23 and name H5   )  				   2.90  1.10  1.10
assign (resid 47 and name HG1 or resid 47 and name HG2  )
(resid 23 and name H6   ) 				   3.90  2.10  2.10

assign (resid 47 and name HD1 or resid 47 and name HD2  )
(resid 22 and name H8   ) 				   3.40  1.60  1.60
assign (resid 47 and name HD1 or resid 47 and name HD2  )
(resid 23 and name H5   )				   2.90  1.10  1.10
assign (resid 47 and name HD1 or resid 47 and name HD2  )
(resid 39 and name H41  ) 				   3.40  1.60  2.60
assign (resid 47 and name HD1 or resid 47 and name HD2  )
(resid 39 and name H42  ) 				   3.40  1.60  2.60

assign (resid 47 and name HE   )(resid 22 and name H2'  )  3.90  2.10  2.10
assign (resid 47 and name HE   )(resid 22 and name H3'  )  3.90  2.10  1.10
assign (resid 47 and name HE   )(resid 22 and name H8   )  3.90  2.10  2.10
assign (resid 47 and name HE   )(resid 23 and name H6   )  3.90  2.10  2.10
assign (resid 47 and name HE   )(resid 23 and name H5   )  3.90  2.10  2.10

assign (resid 47 and name HH11 or resid 47 and name HH12 or resid 47 
and name HH21 or resid 47 and name HH22)
(resid 22 and name H8)					    2.50  0.70  2.50
assign (resid 47 and name HH11 or resid 47 and name HH12 or resid 47 
and name HH21 or resid 47 and name HH22)
(resid 26 and name H8)					    2.50  0.70  2.50

set echo = on end
set message = on end


! H-bonding distances restraints
set echo = off end
set message = off end

assign (resid 16 and name O6   )(resid 46 and name H42  )  1.91  0.20  0.20
assign (resid 16 and name O6   )(resid 46 and name N4   )  2.91  0.20  0.20

assign (resid 16 and name H1   )(resid 46 and name N3   )  1.95  0.20  0.20
assign (resid 16 and name N1   )(resid 46 and name N3   )  2.95  0.20  0.20

assign (resid 16 and name H22  )(resid 46 and name O2   )  1.86  0.20  0.20
assign (resid 16 and name N2   )(resid 46 and name O2   )  2.86  0.20  0.20

assign (resid 17 and name O6   )(resid 45 and name H42  )  1.91  0.20  0.20
assign (resid 17 and name O6   )(resid 45 and name N4   )  2.91  0.20  0.20

assign (resid 17 and name H1   )(resid 45 and name N3   )  1.95  0.20  0.20
assign (resid 17 and name N1   )(resid 45 and name N3   )  2.95  0.20  0.20

assign (resid 17 and name H22  )(resid 45 and name O2   )  1.86  0.20  0.20
assign (resid 17 and name N2   )(resid 45 and name O2   )  2.86  0.20  0.20

assign (resid 18 and name H42  )(resid 44 and name O6   )  1.91  0.20  0.20
assign (resid 18 and name N4   )(resid 44 and name O6   )  2.91  0.20  0.20

assign (resid 18 and name N3   )(resid 44 and name H1   )  1.95  0.20  0.20
assign (resid 18 and name N3   )(resid 44 and name N1   )  2.95  0.20  0.20

assign (resid 18 and name O2   )(resid 44 and name H22  )  1.86  0.20  0.20
assign (resid 18 and name O2   )(resid 44 and name N2   )  2.86  0.20  0.20

assign (resid 19 and name H42  )(resid 43 and name O6   )  1.91  0.20  0.20
assign (resid 19 and name N4   )(resid 43 and name O6   )  2.91  0.20  0.20

assign (resid 19 and name N3   )(resid 43 and name H1   )  1.95  0.20  0.20
assign (resid 19 and name N3   )(resid 43 and name N1   )  2.95  0.20  0.20

assign (resid 19 and name O2   )(resid 43 and name H22  )  1.86  0.20  0.20
assign (resid 19 and name O2   )(resid 43 and name N2   )  2.86  0.20  0.20

assign (resid 20 and name N1   )(resid 42 and name H3   )  1.70  0.20  0.20
assign (resid 20 and name N1   )(resid 42 and name N3   )  2.70  0.20  0.20

assign (resid 20 and name H62  )(resid 42 and name O4   )  1.95  0.20  0.20
assign (resid 20 and name N6   )(resid 42 and name O4   )  2.95  0.20  0.20

assign (resid 21 and name O6   )(resid 41 and name H42  )  1.91  0.20  0.20
assign (resid 21 and name O6   )(resid 41 and name N4   )  2.91  0.20  0.20

assign (resid 21 and name H1   )(resid 41 and name N3   )  1.95  0.20  0.20
assign (resid 21 and name N1   )(resid 41 and name N3   )  2.95  0.20  0.20

assign (resid 21 and name H22  )(resid 41 and name O2   )  1.86  0.20  0.20
assign (resid 21 and name N2   )(resid 41 and name O2   )  2.86  0.20  0.20

assign (resid 22 and name N1   )(resid 40 and name H3   )  1.70  0.20  0.20
assign (resid 22 and name N1   )(resid 40 and name N3   )  2.70  0.20  0.20

assign (resid 22 and name H62  )(resid 40 and name O4   )  1.95  0.20  0.20
assign (resid 22 and name N6   )(resid 40 and name O4   )  2.95  0.20  0.20

assign (resid 26 and name O6   )(resid 39 and name H42  )  1.91  0.20  0.20
assign (resid 26 and name O6   )(resid 39 and name N4   )  2.91  0.20  0.20

assign (resid 26 and name H1   )(resid 39 and name N3   )  1.95  0.20  0.20
assign (resid 26 and name N1   )(resid 39 and name N3   )  2.95  0.20  0.20

assign (resid 26 and name H22  )(resid 39 and name O2   )  1.86  0.20  0.20
assign (resid 26 and name N2   )(resid 39 and name O2   )  2.86  0.20  0.20

assign (resid 27 and name N1   )(resid 38 and name H3   )  1.70  0.20  0.20
assign (resid 27 and name N1   )(resid 38 and name N3   )  2.70  0.20  0.20

assign (resid 27 and name H62  )(resid 38 and name O4   )  1.95  0.20  0.20
assign (resid 27 and name N6   )(resid 38 and name O4   )  2.95  0.20  0.20

assign (resid 28 and name O6   )(resid 37 and name H42  )  1.91  0.20  0.20
assign (resid 28 and name O6   )(resid 37 and name N4   )  2.91  0.20  0.20

assign (resid 28 and name H1   )(resid 37 and name N3   )  1.95  0.20  0.20
assign (resid 28 and name N1   )(resid 37 and name N3   )  2.95  0.20  0.20

assign (resid 28 and name H22  )(resid 37 and name O2   )  1.86  0.20  0.20
assign (resid 28 and name N2   )(resid 37 and name O2   )  2.86  0.20  0.20

assign (resid 29 and name H42  )(resid 36 and name O6   )  1.91  0.20  0.20
assign (resid 29 and name N4   )(resid 36 and name O6   )  2.91  0.20  0.20

assign (resid 29 and name N3   )(resid 36 and name H1   )  1.95  0.20  0.20
assign (resid 29 and name N3   )(resid 36 and name N1   )  2.95  0.20  0.20

assign (resid 29 and name O2   )(resid 36 and name H22  )  1.86  0.20  0.20
assign (resid 29 and name O2   )(resid 36 and name N2   )  2.86  0.20  0.20

set echo = on end
set message = on end

restraints
        dihedral

        reset
!non-A helix deltas - C2' endo puckers
!removed A35 pucker restraint ... weak cosy and very weak DQ - HAHB restraint
!c2'endo puckers

        assign  (resid 23 and name C1')
                (resid 23 and name C2')
                (resid 23 and name C3')
                (resid 23 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 23 and name C3')
                (resid 23 and name C4')
                (resid 23 and name O4')
                (resid 23 and name C1') 1.0 0.0 5.0 2

        assign  (resid 25 and name C1')
                (resid 25 and name C2')
                (resid 25 and name C3')
                (resid 25 and name C4') 1.0 -40.0 5.0 2
        
        assign  (resid 25 and name C3')
                (resid 25 and name C4')
                (resid 25 and name O4')
                (resid 25 and name C1') 1.0 0.0 5.0 2

        assign  (resid 30 and name C1')
                (resid 30 and name C2')
                (resid 30 and name C3')
                (resid 30 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 30 and name C3')
                (resid 30 and name C4')
                (resid 30 and name O4')
                (resid 30 and name C1') 1.0 0.0 5.0 2
        
        assign  (resid 31 and name C1')
                (resid 31 and name C2')
                (resid 31 and name C3')
                (resid 31 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 31 and name C3')
                (resid 31 and name C4')
                (resid 31 and name O4')
                (resid 31 and name C1') 1.0 0.0 5.0 2
        
        assign  (resid 32 and name C1')
                (resid 32 and name C2')
                (resid 32 and name C3')
                (resid 32 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 33 and name C3')
                (resid 33 and name C4')
                (resid 33 and name O4')
                (resid 33 and name C1') 1.0 0.0 5.0 2

        assign  (resid 33 and name C1')
                (resid 33 and name C2')
                (resid 33 and name C3')
                (resid 33 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 34 and name C1')
                (resid 34 and name C2')
                (resid 34 and name C3')
                (resid 34 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 34 and name C3')
                (resid 34 and name C4')
                (resid 34 and name O4')
                (resid 34 and name C1') 1.0 0.0 5.0 2

!A- helix deltas and nu2 only for C3' endo pucker 
        assign  (resid 16 and name C5')
                (resid 16 and name C4')
                (resid 16 and name C3')
                (resid 16 and name O3') 1.0 82.0 5.0 2
        
        assign  (resid 16 and name C1')
                (resid 16 and name C2')
                (resid 16 and name C3')
                (resid 16 and name C4') 1.0 38.0 5.0 2
        
        assign  (resid 17 and name C5')
                (resid 17 and name C4')
                (resid 17 and name C3')
                (resid 17 and name O3') 1.0 82.0  5.0 2
        
        assign  (resid 17 and name C1')
                (resid 17 and name C2')
                (resid 17 and name C3')
                (resid 17 and name C4') 1.0 38.0  5.0 2

        assign  (resid 18 and name C5')
                (resid 18 and name C4')
                (resid 18 and name C3')
                (resid 18 and name O3') 1.0 82.0  5.0 2

        assign  (resid 18 and name C1')
                (resid 18 and name C2')
                (resid 18 and name C3')
                (resid 18 and name C4') 1.0 38.0  5.0 2

        assign  (resid 19 and name C5')
                (resid 19 and name C5')
                (resid 19 and name C3')
                (resid 19 and name O3') 1.0 82.0  5.0 2

        assign  (resid 19 and name C1')
                (resid 19 and name C2')
                (resid 19 and name C3')
                (resid 19 and name C4') 1.0 38.0  5.0 2
        
        assign  (resid 20 and name C5')
                (resid 20 and name C4')
                (resid 20 and name C3')
                (resid 20 and name O3') 1.0 82.0  5.0 2

        assign  (resid 20 and name C1')
                (resid 20 and name C2')
                (resid 20 and name C3')
                (resid 20 and name C4') 1.0 38.0  5.0 2

        assign  (resid 21 and name C5')
                (resid 21 and name C4')
                (resid 21 and name C3')
                (resid 21 and name O3') 1.0 82.0  5.0 2

        assign  (resid 21 and name C1')
                (resid 21 and name C2')
                (resid 21 and name C3')
                (resid 21 and name C4') 1.0 38.0  5.0 2

        assign  (resid 22 and name C5')
                (resid 22 and name C4')
                (resid 22 and name C3')
                (resid 22 and name O3') 1.0 82.0  5.0 2

        assign  (resid 22 and name C1')
                (resid 22 and name C2')
                (resid 22 and name C3')
                (resid 22 and name C4') 1.0 38.0  5.0 2

        assign  (resid 26 and name C5')
                (resid 26 and name C4')
                (resid 26 and name C3')
                (resid 26 and name O3') 1.0 82.0  5.0 2

        assign  (resid 26 and name C1')
                (resid 26 and name C2')
                (resid 26 and name C3')
                (resid 26 and name C4') 1.0 38.0  5.0 2

        
        assign  (resid 27 and name C5')
                (resid 27 and name C4')
                (resid 27 and name C3')
                (resid 27 and name O3') 1.0 82.0  5.0 2

        assign  (resid 27 and name C1')
                (resid 27 and name C2')
                (resid 27 and name C3')
                (resid 27 and name C4') 1.0 38.0  5.0 2

        assign  (resid 28 and name C5')
                (resid 28 and name C4')
                (resid 28 and name C3')
                (resid 28 and name O3') 1.0 82.0  5.0 2

        assign  (resid 28 and name C1')
                (resid 28 and name C2')
                (resid 28 and name C3')
                (resid 28 and name C4') 1.0 38.0  5.0 2

        assign  (resid 29 and name C5')
                (resid 29 and name C4')
                (resid 29 and name C3')
                (resid 29 and name O3') 1.0 82.0  5.0 2
        
        assign  (resid 29 and name C1')
                (resid 29 and name C2')
                (resid 29 and name C3')
                (resid 29 and name C4') 1.0 38.0  5.0 2

        assign  (resid 36 and name C5')
                (resid 36 and name C4')
                (resid 36 and name C3')
                (resid 36 and name O3') 1.0 82.0  5.0 2

        assign  (resid 36 and name C1')
                (resid 36 and name C2')
                (resid 36 and name C3')
                (resid 36 and name C4') 1.0 38.0  5.0 2

        assign  (resid 37 and name C5')
                (resid 37 and name C4')
                (resid 37 and name C3')
                (resid 37 and name O3') 1.0 82.0  5.0 2

        assign  (resid 37 and name C1')
                (resid 37 and name C2')
                (resid 37 and name C3')
                (resid 37 and name C4') 1.0 38.0  5.0 2

        assign  (resid 38 and name C5')
                (resid 38 and name C4')
                (resid 38 and name C3')
                (resid 38 and name O3') 1.0 82.0  5.0 2

        assign  (resid 39 and name C5')
                (resid 39 and name C4')
                (resid 39 and name C3')
                (resid 39 and name O3') 1.0 82.0  5.0 2

        assign  (resid 39 and name C1')
                (resid 39 and name C2')
                (resid 39 and name C3')
                (resid 39 and name C4') 1.0 38.0  5.0 2

        assign  (resid 40 and name C5')
                (resid 40 and name C4')
                (resid 40 and name C3')
                (resid 40 and name O3') 1.0 82.0  5.0 2

        assign  (resid 40 and name C1')
                (resid 40 and name C2')
                (resid 40 and name C3')
                (resid 40 and name C4') 1.0 38.0  5.0 2

        assign  (resid 41 and name C5')
                (resid 41 and name C4')
                (resid 41 and name C3')
                (resid 41 and name O3') 1.0 82.0  5.0 2

        assign  (resid 41 and name C1')
                (resid 41 and name C2')
                (resid 41 and name C3')
                (resid 41 and name C4') 1.0 38.0  5.0 2

        assign  (resid 42 and name C5')
                (resid 42 and name C4')
                (resid 42 and name C3')
                (resid 42 and name O3') 1.0 82.0  5.0 2

        assign  (resid 42 and name C1')
                (resid 42 and name C2')
                (resid 42 and name C3')
                (resid 42 and name C4') 1.0 38.0  5.0 2
        
        assign  (resid 43 and name C5')
                (resid 43 and name C4')
                (resid 43 and name C3')
                (resid 43 and name O3') 1.0 82.0  5.0 2

        assign  (resid 43 and name C1')
                (resid 43 and name C2')
                (resid 43 and name C3')
                (resid 43 and name C4') 1.0 38.0  5.0 2

        assign  (resid 44 and name C5')
                (resid 44 and name C4')
                (resid 44 and name C3')
                (resid 44 and name O3') 1.0 82.0  5.0 2

        assign  (resid 44 and name C1')
                (resid 44 and name C2')
                (resid 44 and name C3')
                (resid 44 and name C4') 1.0 38.0  5.0 2

        assign  (resid 45 and name C5')
                (resid 45 and name C4')
                (resid 45 and name C3')
                (resid 45 and name O3') 1.0 82.0  5.0 2

        assign  (resid 45 and name C1')
                (resid 45 and name C2')
                (resid 45 and name C3')
                (resid 45 and name C4') 1.0 38.0  5.0 2

        assign  (resid 46 and name C5')
                (resid 46 and name C4')
                (resid 46 and name C3')
                (resid 46 and name O3') 1.0 82.0  5.0 2

        assign  (resid 46 and name C1')
                (resid 46 and name C2')
                (resid 46 and name C3')
                (resid 46 and name C4') 1.0 38.0  5.0 2

!gamma torsions ... restrain G26 to be not gauche+

        assign  (resid 26 and name O5')
                (resid 26 and name C5')
                (resid 26 and name C4')
                (resid 26 and name C3') 1.0 -130.0 110.0 2

!beta torsions ... for H5' and H5'' HP xpeaks

        assign  (resid 23 and name P)
                (resid 23 and name O5')
                (resid 23 and name C5')
                (resid 23 and name C4') 1.0 -15.0 135.0 2

        
        assign  (resid 25 and name P)
                (resid 25 and name O5')
                (resid 25 and name C5')
                (resid 25 and name C4') 1.0 -15.0 135.0 2

        assign  (resid 26 and name P)
                (resid 26 and name O5')
                (resid 26 and name C5')
                (resid 26 and name C4') 1.0 -15.0 135.0 2

end

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G  16          1H5*        G  16   3.188  23.118  -4.860
    2   2H5*    G  16          2H5*        G  16   1.453  22.795  -5.013
    3    H4*    G  16           H4*        G  16   2.726  24.566  -2.933
    4    H3*    G  16           H3*        G  16   1.941  21.671  -2.780
    5   1H2*    G  16          1H2*        G  16   1.064  22.036  -0.582
    6   2HO*    G  16          2HO*        G  16   2.538  23.343   0.395
    7    H1*    G  16           H1*        G  16  -0.190  24.479  -1.155
    8    H8     G  16           H8         G  16  -0.711  22.286  -4.117
    9    H1     G  16           H1         G  16  -4.627  20.912   0.796
   10   1H2     G  16           H21        G  16  -2.534  22.985   2.631
   11   2H2     G  16           H22        G  16  -3.947  21.954   2.615
   12    H5T    G  16           H5T        G  16   2.776  25.299  -5.254
   13   1H5*    G  17          1H5*        G  17   4.211  19.662   1.372
   14   2H5*    G  17          2H5*        G  17   2.801  19.257   0.372
   15    H4*    G  17           H4*        G  17   2.910  20.919   2.877
   16    H3*    G  17           H3*        G  17   1.678  18.258   2.242
   17   1H2*    G  17          1H2*        G  17  -0.188  18.795   3.665
   18   2HO*    G  17          2HO*        G  17   0.147  20.096   5.307
   19    H1*    G  17           H1*        G  17  -0.610  21.318   2.615
   20    H8     G  17           H8         G  17   0.513  19.794  -0.449
   21    H1     G  17           H1         G  17  -5.147  17.354   1.386
   22   1H2     G  17           H21        G  17  -4.425  18.821   4.450
   23   2H2     G  17           H22        G  17  -5.542  17.876   3.492
   24   1H5*    C  18          1H5*        C  18   0.956  18.698   6.231
   25   2H5*    C  18          2H5*        C  18   1.623  17.307   7.106
   26    H4*    C  18           H4*        C  18  -0.681  17.692   7.724
   27    H3*    C  18           H3*        C  18  -0.112  15.124   6.272
   28   1H2*    C  18          1H2*        C  18  -2.430  14.568   6.390
   29   2HO*    C  18          2HO*        C  18  -3.477  15.118   8.145
   30    H1*    C  18           H1*        C  18  -3.399  17.192   5.918
   31   1H4     C  18           H41        C  18  -2.317  14.556  -0.039
   32   2H4     C  18           H42        C  18  -3.985  14.190   0.342
   33    H5     C  18           H5         C  18  -0.802  15.597   1.541
   34    H6     C  18           H6         C  18  -0.586  16.498   3.797
   35   1H5*    C  19          1H5*        C  19  -1.715  11.241   8.481
   36   2H5*    C  19          2H5*        C  19  -1.732  12.010   6.883
   37    H4*    C  19           H4*        C  19  -4.033  12.057   8.830
   38    H3*    C  19           H3*        C  19  -3.436  10.052   6.682
   39   1H2*    C  19          1H2*        C  19  -5.754  10.061   6.039
   40   2HO*    C  19          2HO*        C  19  -7.281  10.649   7.409
   41    H1*    C  19           H1*        C  19  -6.016  12.814   5.986
   42   1H4     C  19           H41        C  19  -2.357  11.626   0.635
   43   2H4     C  19           H42        C  19  -3.943  11.037   0.190
   44    H5     C  19           H5         C  19  -1.804  12.356   2.879
   45    H6     C  19           H6         C  19  -2.662  12.678   5.138
   46   1H5*    A  20          1H5*        A  20  -6.892   8.561   8.154
   47   2H5*    A  20          2H5*        A  20  -6.696   6.836   8.520
   48    H4*    A  20           H4*        A  20  -8.541   7.175   7.007
   49    H3*    A  20           H3*        A  20  -6.179   5.720   5.838
   50   1H2*    A  20          1H2*        A  20  -7.425   5.490   3.799
   51   2HO*    A  20          2HO*        A  20  -9.546   5.407   3.858
   52    H1*    A  20           H1*        A  20  -8.376   8.130   3.781
   53    H8     A  20           H8         A  20  -4.932   8.597   4.924
   54   1H6     A  20           H61        A  20  -2.560   8.282   0.686
   55   2H6     A  20           H62        A  20  -3.024   7.731  -0.908
   56    H2     A  20           H2         A  20  -7.316   6.436  -0.643
   57   1H5*    G  21          1H5*        G  21  -9.690   3.491   4.865
   58   2H5*    G  21          2H5*        G  21  -9.289   1.765   4.786
   59    H4*    G  21           H4*        G  21 -10.217   2.770   2.689
   60    H3*    G  21           H3*        G  21  -7.582   1.313   2.636
   61   1H2*    G  21          1H2*        G  21  -7.545   1.672   0.252
   62   2HO*    G  21          2HO*        G  21  -9.871   1.343  -0.008
   63    H1*    G  21           H1*        G  21  -8.301   4.363   0.413
   64    H8     G  21           H8         G  21  -6.070   3.881   3.312
   65    H1     G  21           H1         G  21  -2.885   4.108  -2.269
   66   1H2     G  21           H21        G  21  -6.021   3.697  -3.699
   67   2H2     G  21           H22        G  21  -4.300   3.889  -3.945
   68   1H5*    A  22          1H5*        A  22  -9.896  -1.942  -1.525
   69   2H5*    A  22          2H5*        A  22  -8.255  -2.110  -0.873
   70    H4*    A  22           H4*        A  22  -9.301  -0.244  -2.962
   71    H3*    A  22           H3*        A  22  -7.012  -2.186  -2.828
   72   1H2*    A  22          1H2*        A  22  -5.731  -0.772  -4.253
   73   2HO*    A  22          2HO*        A  22  -8.276   0.222  -4.926
   74    H1*    A  22           H1*        A  22  -6.657   1.690  -3.167
   75    H8     A  22           H8         A  22  -5.822   0.076  -0.094
   76   1H6     A  22           H61        A  22  -0.975   0.432  -0.091
   77   2H6     A  22           H62        A  22   0.202   0.790  -1.335
   78    H2     A  22           H2         A  22  -2.080   1.416  -5.149
   79   1H5*    U  23          1H5*        U  23  -8.129  -5.940  -5.866
   80   2H5*    U  23          2H5*        U  23  -7.300  -4.963  -4.639
   81    H4*    U  23           H4*        U  23  -7.815  -3.200  -6.732
   82    H3*    U  23           H3*        U  23  -8.061  -5.489  -8.112
   83   1H2*    U  23          1H2*        U  23  -5.969  -6.482  -7.399
   84   2HO*    U  23          2HO*        U  23  -4.918  -6.577  -9.260
   85    H1*    U  23           H1*        U  23  -4.641  -3.751  -7.822
   86    H3     U  23           H3         U  23  -0.881  -6.260  -7.028
   87    H5     U  23           H5         U  23  -2.984  -6.176  -3.385
   88    H6     U  23           H6         U  23  -4.840  -5.195  -4.567
   89   1H5*    U  25          1H5*        U  25 -10.535  -1.271  -7.532
   90   2H5*    U  25          2H5*        U  25 -10.732  -1.528  -9.277
   91    H4*    U  25           H4*        U  25  -9.401   0.376  -9.788
   92    H3*    U  25           H3*        U  25  -7.975   0.126  -7.481
   93   1H2*    U  25          1H2*        U  25  -9.755   0.934  -6.036
   94   2HO*    U  25          2HO*        U  25  -8.191   2.390  -5.521
   95    H1*    U  25           H1*        U  25 -10.279   2.968  -8.276
   96    H3     U  25           H3         U  25 -13.690   5.103  -6.348
   97    H5     U  25           H5         U  25 -13.885   1.300  -4.563
   98    H6     U  25           H6         U  25 -11.962   0.669  -5.870
   99   1H5*    G  26          1H5*        G  26  -6.241  -1.942 -10.442
  100   2H5*    G  26          2H5*        G  26  -5.554  -1.361  -8.914
  101    H4*    G  26           H4*        G  26  -4.679  -0.506 -11.668
  102    H3*    G  26           H3*        G  26  -3.594  -2.676  -9.917
  103   1H2*    G  26          1H2*        G  26  -1.352  -2.000 -10.455
  104   2HO*    G  26          2HO*        G  26  -1.069  -1.246 -12.421
  105    H1*    G  26           H1*        G  26  -1.754   0.706 -10.073
  106    H8     G  26           H8         G  26  -4.010  -0.913  -7.610
  107    H1     G  26           H1         G  26   2.146  -0.938  -5.769
  108   1H2     G  26           H21        G  26   2.809  -0.002  -9.043
  109   2H2     G  26           H22        G  26   3.444  -0.385  -7.458
  110   1H5*    A  27          1H5*        A  27  -0.626  -5.761 -11.988
  111   2H5*    A  27          2H5*        A  27  -0.944  -5.081 -10.380
  112    H4*    A  27           H4*        A  27   1.076  -4.052 -12.369
  113    H3*    A  27           H3*        A  27   1.436  -5.918 -10.051
  114   1H2*    A  27          1H2*        A  27   3.474  -4.783  -9.462
  115   2HO*    A  27          2HO*        A  27   4.597  -3.911 -11.036
  116    H1*    A  27           H1*        A  27   2.432  -2.231  -9.630
  117    H8     A  27           H8         A  27  -0.575  -3.888  -8.478
  118   1H6     A  27           H61        A  27   0.406  -4.462  -3.755
  119   2H6     A  27           H62        A  27   1.871  -4.328  -2.808
  120    H2     A  27           H2         A  27   5.168  -3.227  -5.653
  121   1H5*    G  28          1H5*        G  28   5.033  -6.025 -12.033
  122   2H5*    G  28          2H5*        G  28   5.810  -7.619 -12.067
  123    H4*    G  28           H4*        G  28   7.180  -5.943 -10.946
  124    H3*    G  28           H3*        G  28   6.246  -8.291  -9.321
  125   1H2*    G  28          1H2*        G  28   7.402  -7.393  -7.423
  126   2HO*    G  28          2HO*        G  28   8.867  -6.163  -9.373
  127    H1*    G  28           H1*        G  28   6.576  -4.748  -7.802
  128    H8     G  28           H8         G  28   3.561  -6.639  -8.675
  129    H1     G  28           H1         G  28   4.694  -6.673  -2.348
  130   1H2     G  28           H21        G  28   7.845  -5.511  -3.224
  131   2H2     G  28           H22        G  28   6.749  -5.988  -1.947
  132   1H5*    C  29          1H5*        C  29  10.228  -8.081  -8.507
  133   2H5*    C  29          2H5*        C  29  10.984  -9.673  -8.310
  134    H4*    C  29           H4*        C  29  11.124  -8.319  -6.284
  135    H3*    C  29           H3*        C  29   9.582 -10.893  -6.124
  136   1H2*    C  29          1H2*        C  29   9.150 -10.442  -3.808
  137   2HO*    C  29          2HO*        C  29  11.249  -8.565  -4.145
  138    H1*    C  29           H1*        C  29   8.649  -7.683  -4.144
  139   1H4     C  29           H41        C  29   2.939 -10.598  -5.681
  140   2H4     C  29           H42        C  29   2.896 -10.416  -3.942
  141    H5     C  29           H5         C  29   4.897 -10.108  -7.010
  142    H6     C  29           H6         C  29   7.205  -9.326  -6.946
  143   1H5*    C  30          1H5*        C  30  11.891 -10.695  -2.605
  144   2H5*    C  30          2H5*        C  30  12.720 -12.254  -2.433
  145    H4*    C  30           H4*        C  30  11.382 -11.507  -0.458
  146    H3*    C  30           H3*        C  30  11.802 -14.070  -1.257
  147   1H2*    C  30          1H2*        C  30   9.721 -14.341  -2.446
  148   2HO*    C  30          2HO*        C  30   8.714 -14.747   0.170
  149    H1*    C  30           H1*        C  30   8.399 -12.730  -0.195
  150   1H4     C  30           H41        C  30   4.316 -12.882  -5.434
  151   2H4     C  30           H42        C  30   3.333 -13.034  -3.996
  152    H5     C  30           H5         C  30   6.734 -12.703  -5.363
  153    H6     C  30           H6         C  30   8.688 -12.664  -3.902
  154   1H5*    U  31          1H5*        U  31  10.903 -16.299   0.454
  155   2H5*    U  31          2H5*        U  31  12.231 -17.371   0.929
  156    H4*    U  31           H4*        U  31  11.003 -17.571  -1.400
  157    H3*    U  31           H3*        U  31  13.254 -18.763  -0.455
  158   1H2*    U  31          1H2*        U  31  14.806 -17.106  -1.277
  159   2HO*    U  31          2HO*        U  31  15.500 -17.872  -3.425
  160    H1*    U  31           H1*        U  31  13.063 -16.960  -3.797
  161    H3     U  31           H3         U  31  16.046 -14.186  -5.710
  162    H5     U  31           H5         U  31  15.511 -12.538  -1.877
  163    H6     U  31           H6         U  31  14.139 -14.442  -1.330
  164   1H5*    G  32          1H5*        G  32  13.858 -19.986   0.693
  165   2H5*    G  32          2H5*        G  32  14.302 -21.690   0.774
  166    H4*    G  32           H4*        G  32  11.698 -21.052  -0.493
  167    H3*    G  32           H3*        G  32  11.786 -19.668   1.701
  168   1H2*    G  32          1H2*        G  32  12.932 -21.283   3.098
  169   2HO*    G  32          2HO*        G  32  10.131 -21.447   3.373
  170    H1*    G  32           H1*        G  32  11.090 -23.535   2.215
  171    H8     G  32           H8         G  32  14.748 -22.382   2.691
  172    H1     G  32           H1         G  32  13.613 -28.633   3.678
  173   1H2     G  32           H21        G  32  10.382 -27.889   2.652
  174   2H2     G  32           H22        G  32  11.512 -29.102   3.208
  175   1H5*    G  33          1H5*        G  33   7.951 -21.131  -1.260
  176   2H5*    G  33          2H5*        G  33   6.954 -19.664  -1.319
  177    H4*    G  33           H4*        G  33   5.346 -21.266  -1.268
  178    H3*    G  33           H3*        G  33   5.321 -19.825   1.009
  179   1H2*    G  33          1H2*        G  33   6.640 -21.347   2.345
  180   2HO*    G  33          2HO*        G  33   3.940 -22.262   2.495
  181    H1*    G  33           H1*        G  33   5.101 -23.671   1.081
  182    H8     G  33           H8         G  33   8.805 -23.357   0.689
  183    H1     G  33           H1         G  33   7.038 -27.164   5.564
  184   1H2     G  33           H21        G  33   3.866 -25.863   5.005
  185   2H2     G  33           H22        G  33   4.874 -26.942   5.942
  186   1H5*    G  34          1H5*        G  34   4.558 -18.743   2.575
  187   2H5*    G  34          2H5*        G  34   4.538 -19.863   3.949
  188    H4*    G  34           H4*        G  34   2.886 -18.636   5.075
  189    H3*    G  34           H3*        G  34   1.641 -17.906   2.814
  190   1H2*    G  34          1H2*        G  34   3.401 -16.425   2.016
  191   2HO*    G  34          2HO*        G  34   1.951 -14.862   1.895
  192    H1*    G  34           H1*        G  34   3.568 -15.332   4.879
  193    H8     G  34           H8         G  34   4.489 -14.241   1.759
  194    H1     G  34           H1         G  34   9.857 -14.861   5.243
  195   1H2     G  34           H21        G  34   7.902 -16.833   7.326
  196   2H2     G  34           H22        G  34   9.472 -16.137   6.998
  197   1H5*    A  35          1H5*        A  35  -2.769 -16.100   5.959
  198   2H5*    A  35          2H5*        A  35  -2.272 -16.642   4.345
  199    H4*    A  35           H4*        A  35  -0.867 -14.451   5.858
  200    H3*    A  35           H3*        A  35  -3.366 -13.901   5.190
  201   1H2*    A  35          1H2*        A  35  -3.240 -14.860   2.942
  202   2HO*    A  35          2HO*        A  35  -2.644 -12.071   2.812
  203    H1*    A  35           H1*        A  35  -0.644 -13.278   2.552
  204    H8     A  35           H8         A  35  -1.848 -16.942   2.107
  205   1H6     A  35           H61        A  35  -0.412 -17.460  -2.520
  206   2H6     A  35           H62        A  35   0.331 -16.372  -3.670
  207    H2     A  35           H2         A  35   0.865 -12.431  -1.589
  208   1H5*    G  36          1H5*        G  36   0.379  -9.875   5.881
  209   2H5*    G  36          2H5*        G  36   0.188 -11.025   4.543
  210    H4*    G  36           H4*        G  36   2.342 -11.428   6.576
  211    H3*    G  36           H3*        G  36   2.418  -9.318   4.449
  212   1H2*    G  36          1H2*        G  36   4.680  -9.948   3.914
  213   2HO*    G  36          2HO*        G  36   5.878 -10.788   5.453
  214    H1*    G  36           H1*        G  36   4.163 -12.650   3.745
  215    H8     G  36           H8         G  36   0.955 -11.883   2.538
  216    H1     G  36           H1         G  36   5.325  -9.576  -1.569
  217   1H2     G  36           H21        G  36   7.563 -10.000   1.045
  218   2H2     G  36           H22        G  36   7.301  -9.492  -0.609
  219   1H5*    C  37          1H5*        C  37   5.756  -8.356   6.196
  220   2H5*    C  37          2H5*        C  37   5.883  -6.655   6.685
  221    H4*    C  37           H4*        C  37   7.671  -7.203   5.185
  222    H3*    C  37           H3*        C  37   5.624  -5.308   4.055
  223   1H2*    C  37          1H2*        C  37   6.939  -5.190   2.047
  224   2HO*    C  37          2HO*        C  37   9.038  -5.226   2.472
  225    H1*    C  37           H1*        C  37   7.412  -7.947   1.885
  226   1H4     C  37           H41        C  37   1.259  -7.272  -0.373
  227   2H4     C  37           H42        C  37   2.254  -6.680  -1.685
  228    H5     C  37           H5         C  37   2.154  -7.848   1.804
  229    H6     C  37           H6         C  37   4.178  -7.970   3.158
  230   1H5*    U  38          1H5*        U  38   9.437  -3.575   3.142
  231   2H5*    U  38          2H5*        U  38   9.277  -1.820   3.343
  232    H4*    U  38           H4*        U  38  10.043  -2.531   1.097
  233    H3*    U  38           H3*        U  38   7.515  -0.906   1.312
  234   1H2*    U  38          1H2*        U  38   7.409  -0.922  -1.081
  235   2HO*    U  38          2HO*        U  38   9.466  -0.571  -1.755
  236    H1*    U  38           H1*        U  38   8.225  -3.628  -1.355
  237    H3     U  38           H3         U  38   3.938  -3.362  -2.899
  238    H5     U  38           H5         U  38   3.600  -3.641   1.284
  239    H6     U  38           H6         U  38   5.985  -3.345   1.423
  240   1H5*    C  39          1H5*        C  39   8.751   3.124  -1.998
  241   2H5*    C  39          2H5*        C  39   7.301   2.215  -1.528
  242    H4*    C  39           H4*        C  39   9.235   1.553  -3.744
  243    H3*    C  39           H3*        C  39   6.467   2.710  -3.793
  244   1H2*    C  39          1H2*        C  39   5.967   1.386  -5.740
  245   2HO*    C  39          2HO*        C  39   7.688   1.193  -7.015
  246    H1*    C  39           H1*        C  39   6.954  -0.980  -4.717
  247   1H4     C  39           H41        C  39   1.425  -0.192  -1.235
  248   2H4     C  39           H42        C  39   0.845  -0.587  -2.837
  249    H5     C  39           H5         C  39   3.752   0.257  -0.749
  250    H6     C  39           H6         C  39   5.996   0.400  -1.695
  251   1H5*    U  40          1H5*        U  40   6.956   5.049  -7.300
  252   2H5*    U  40          2H5*        U  40   5.640   6.195  -6.978
  253    H4*    U  40           H4*        U  40   5.365   3.920  -8.387
  254    H3*    U  40           H3*        U  40   3.298   5.426  -6.798
  255   1H2*    U  40          1H2*        U  40   1.731   3.684  -7.320
  256   2HO*    U  40          2HO*        U  40   2.148   2.138  -8.882
  257    H1*    U  40           H1*        U  40   3.531   1.568  -6.875
  258    H3     U  40           H3         U  40   0.086   2.009  -3.700
  259    H5     U  40           H5         U  40   3.634   3.554  -2.066
  260    H6     U  40           H6         U  40   4.611   3.442  -4.265
  261   1H5*    C  41          1H5*        C  41   1.056   4.782 -10.389
  262   2H5*    C  41          2H5*        C  41   0.040   6.225 -10.578
  263    H4*    C  41           H4*        C  41  -1.169   4.050 -10.242
  264    H3*    C  41           H3*        C  41  -1.736   6.435  -8.501
  265   1H2*    C  41          1H2*        C  41  -3.346   5.133  -7.308
  266   2HO*    C  41          2HO*        C  41  -4.434   4.072  -8.912
  267    H1*    C  41           H1*        C  41  -1.835   2.736  -7.297
  268   1H4     C  41           H41        C  41   0.422   5.970  -2.046
  269   2H4     C  41           H42        C  41  -1.143   5.379  -1.531
  270    H5     C  41           H5         C  41   1.195   5.828  -4.341
  271    H6     C  41           H6         C  41   0.632   5.072  -6.589
  272   1H5*    U  42          1H5*        U  42  -6.004   4.918  -9.907
  273   2H5*    U  42          2H5*        U  42  -6.763   6.520  -9.986
  274    H4*    U  42           H4*        U  42  -7.806   4.733  -8.474
  275    H3*    U  42           H3*        U  42  -7.328   7.574  -7.611
  276   1H2*    U  42          1H2*        U  42  -8.261   7.028  -5.476
  277   2HO*    U  42          2HO*        U  42  -9.078   4.596  -6.729
  278    H1*    U  42           H1*        U  42  -6.993   4.519  -5.249
  279    H3     U  42           H3         U  42  -5.362   7.454  -2.096
  280    H5     U  42           H5         U  42  -2.970   7.942  -5.517
  281    H6     U  42           H6         U  42  -4.555   6.595  -6.726
  282   1H5*    G  43          1H5*        G  43 -11.424   6.497  -6.263
  283   2H5*    G  43          2H5*        G  43 -12.323   8.019  -6.392
  284    H4*    G  43           H4*        G  43 -12.261   6.959  -4.121
  285    H3*    G  43           H3*        G  43 -11.405   9.819  -4.501
  286   1H2*    G  43          1H2*        G  43 -11.019   9.948  -2.139
  287   2HO*    G  43          2HO*        G  43 -12.477   8.939  -0.969
  288    H1*    G  43           H1*        G  43  -9.936   7.323  -1.904
  289    H8     G  43           H8         G  43  -8.326   8.884  -4.845
  290    H1     G  43           H1         G  43  -5.938  11.012   0.732
  291   1H2     G  43           H21        G  43  -8.727   9.503   2.141
  292   2H2     G  43           H22        G  43  -7.261  10.424   2.392
  293   1H5*    G  44          1H5*        G  44 -14.414  12.754  -1.728
  294   2H5*    G  44          2H5*        G  44 -12.691  12.901  -2.134
  295    H4*    G  44           H4*        G  44 -13.958  11.916   0.404
  296    H3*    G  44           H3*        G  44 -12.181  14.246  -0.244
  297   1H2*    G  44          1H2*        G  44 -11.102  13.993   1.893
  298   2HO*    G  44          2HO*        G  44 -13.146  13.362   2.971
  299    H1*    G  44           H1*        G  44 -10.728  11.256   1.679
  300    H8     G  44           H8         G  44 -10.311  11.996  -1.817
  301    H1     G  44           H1         G  44  -5.498  14.492   1.640
  302   1H2     G  44           H21        G  44  -7.576  13.920   4.360
  303   2H2     G  44           H22        G  44  -6.039  14.515   3.776
  304   1H5*    C  45          1H5*        C  45 -13.536  15.254   3.435
  305   2H5*    C  45          2H5*        C  45 -14.116  16.927   3.547
  306    H4*    C  45           H4*        C  45 -12.371  16.530   5.159
  307    H3*    C  45           H3*        C  45 -11.682  18.453   2.954
  308   1H2*    C  45          1H2*        C  45  -9.528  18.756   3.950
  309   2HO*    C  45          2HO*        C  45 -10.342  18.805   6.146
  310    H1*    C  45           H1*        C  45  -9.118  16.035   4.567
  311   1H4     C  45           H41        C  45  -7.459  16.619  -1.792
  312   2H4     C  45           H42        C  45  -6.033  17.116  -0.909
  313    H5     C  45           H5         C  45  -9.574  16.135  -0.713
  314    H6     C  45           H6         C  45 -10.747  16.042   1.423
  315   1H5*    C  46          1H5*        C  46 -11.466  21.183   6.425
  316   2H5*    C  46          2H5*        C  46 -11.668  22.831   5.801
  317    H4*    C  46           H4*        C  46  -9.404  22.251   6.719
  318    H3*    C  46           H3*        C  46  -9.700  23.417   3.965
  319   1H2*    C  46          1H2*        C  46  -7.317  23.361   3.753
  320   2HO*    C  46          2HO*        C  46  -6.145  23.697   5.484
  321    H1*    C  46           H1*        C  46  -6.990  20.836   5.003
  322   1H4     C  46           H41        C  46  -8.479  19.591  -1.313
  323   2H4     C  46           H42        C  46  -6.732  19.638  -1.238
  324    H5     C  46           H5         C  46  -9.896  20.146   0.579
  325    H6     C  46           H6         C  46  -9.911  20.861   2.916
  326    H3T    C  46           H3T        C  46 -10.069  24.922   5.334
  327   1H    ARG  47          2H        ARG  47  -1.001  -4.872   4.189
  328   2H    ARG  47          1H        ARG  47  -2.673  -5.010   3.921
  329   3H    ARG  47          3H        ARG  47  -1.735  -6.404   4.150
  330    HA   ARG  47           HA       ARG  47  -2.224  -6.200   1.829
  331   1HB   ARG  47          2HB       ARG  47  -1.951  -3.427   2.416
  332   2HB   ARG  47          1HB       ARG  47  -0.721  -3.824   1.217
  333   1HG   ARG  47          2HG       ARG  47  -2.804  -5.170   0.153
  334   2HG   ARG  47          1HG       ARG  47  -3.688  -3.885   0.981
  335   1HD   ARG  47          2HD       ARG  47  -1.862  -2.335  -0.135
  336   2HD   ARG  47          1HD       ARG  47  -1.709  -3.684  -1.262
  337    HE   ARG  47           HE       ARG  47  -4.409  -2.537  -0.738
  338   1HH1  ARG  47          1HH1      ARG  47  -1.808  -1.794  -2.681
  339   2HH1  ARG  47          2HH1      ARG  47  -2.621  -2.038  -4.188
  340   1HH2  ARG  47          1HH2      ARG  47  -5.434  -3.472  -2.753
  341   2HH2  ARG  47          2HH2      ARG  47  -4.678  -2.978  -4.230
   
  No H/Q in entry =         341