*HEADER   RIBOZYME                                14-AUG-97   1ATO    
*TITLE    THE STRUCTURE OF THE ISOLATED, CENTRAL HAIRPIN OF THE HDV   
*TITLE   2 ANTIGENOMIC RIBOZYME, NMR, 10 STRUCTURES                   
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: HDV RIBOZYME;                                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: CENTRAL HAIRPIN;                                 
*COMPND  5 SYNONYM: HEPATITIS DELTA VIRUS RIBOZYME;                   
*COMPND  6 OTHER_DETAILS: RNA                                         
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HEPATITIS DELTA VIRUS;                
*SOURCE  3 ORGANISM_COMMON: HDV                                       
*KEYWDS   CENTRAL LOOP, HEPATITIS DELTA VIRUS, RIBOZYME, RNA HAIRPIN  
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   M.H.KOLK,H.A.HEUS,C.W.HILBERS                               
*REVDAT  1   12-NOV-97 1ATO    0                                      
 
set message=off end
restraints dihedral
! Dihedral angle constraints of 1-6 and 14-19 of sl3

! Pucker: all are N (P=10+/-20,amp=35)

!Residue 1:
assign (resid 1 and name H1')
       (resid 1 and name C1')
       (resid 1 and name C2')
       (resid 1 and name H2')
   1.000   99.2    10.0   2

assign (resid 1 and name H2')
       (resid 1 and name C2')
       (resid 1 and name C3')
       (resid 1 and name H3')
   1.000   39.4    3.9    2

assign (resid 1 and name H3')
       (resid 1 and name C3')
       (resid 1 and name C4')
       (resid 1 and name H4')
   1.000  -162.0  4.0    2

!Residue 2: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 2 and name H1')
       (resid 2 and name C1')
       (resid 2 and name C2')
       (resid 2 and name H2')
   1.000   99.2    10.0   2

assign (resid 2 and name H2')
       (resid 2 and name C2')
       (resid 2 and name C3')
       (resid 2 and name H3')
   1.000   39.4    3.9    2

assign (resid 2 and name H3')
       (resid 2 and name C3')
       (resid 2 and name C4')
       (resid 2 and name H4')
   1.000  -162.0  4.0    2

!Residue 3: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 3 and name H1')
       (resid 3 and name C1')
       (resid 3 and name C2')
       (resid 3 and name H2')
   1.000   99.2    10.0   2

assign (resid 3 and name H2')
       (resid 3 and name C2')
       (resid 3 and name C3')
       (resid 3 and name H3')
   1.000   39.4    3.9    2

assign (resid 3 and name H3')
       (resid 3 and name C3')
       (resid 3 and name C4')
       (resid 3 and name H4')
   1.000  -162.0  4.0    2

!Residue 4: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 4 and name H1')
       (resid 4 and name C1')
       (resid 4 and name C2')
       (resid 4 and name H2')
   1.000   99.2    10.0   2

assign (resid 4 and name H2')
       (resid 4 and name C2')
       (resid 4 and name C3')
       (resid 4 and name H3')
   1.000   39.4    3.9    2

assign (resid 4 and name H3')
       (resid 4 and name C3')
       (resid 4 and name C4')
       (resid 4 and name H4')
   1.000  -162.0  4.0    2

!Residue 5: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 5 and name H1')
       (resid 5 and name C1')
       (resid 5 and name C2')
       (resid 5 and name H2')
   1.000   99.2    10.0   2

assign (resid 5 and name H2')
       (resid 5 and name C2')
       (resid 5 and name C3')
       (resid 5 and name H3')
   1.000   39.4    3.9    2

assign (resid 5 and name H3')
       (resid 5 and name C3')
       (resid 5 and name C4')
       (resid 5 and name H4')
   1.000  -162.0  4.0    2

!Residue 6: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 6 and name H1')
       (resid 6 and name C1')
       (resid 6 and name C2')
       (resid 6 and name H2')
   1.000   99.2    10.0   2

assign (resid 6 and name H2')
       (resid 6 and name C2')
       (resid 6 and name C3')
       (resid 6 and name H3')
   1.000   39.4    3.9    2

assign (resid 6 and name H3')
       (resid 6 and name C3')
       (resid 6 and name C4')
       (resid 6 and name H4')
   1.000  -162.0  4.0    2

!Residue 14: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 14 and name H1')
       (resid 14 and name C1')
       (resid 14 and name C2')
       (resid 14 and name H2')
   1.000   99.2    10.0   2

assign (resid 14 and name H2')
       (resid 14 and name C2')
       (resid 14 and name C3')
       (resid 14 and name H3')
   1.000   39.4    3.9    2

assign (resid 14 and name H3')
       (resid 14 and name C3')
       (resid 14 and name C4')
       (resid 14 and name H4')
   1.000  -162.0  4.0    2

!Residue 15: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 15 and name H1')
       (resid 15 and name C1')
       (resid 15 and name C2')
       (resid 15 and name H2')
   1.000   99.2    10.0   2

assign (resid 15 and name H2')
       (resid 15 and name C2')
       (resid 15 and name C3')
       (resid 15 and name H3')
   1.000   39.4    3.9    2

assign (resid 15 and name H3')
       (resid 15 and name C3')
       (resid 15 and name C4')
       (resid 15 and name H4')
   1.000  -162.0  4.0    2

!Residue 16: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 16 and name H1')
       (resid 16 and name C1')
       (resid 16 and name C2')
       (resid 16 and name H2')
   1.000   99.2    10.0   2

assign (resid 16 and name H2')
       (resid 16 and name C2')
       (resid 16 and name C3')
       (resid 16 and name H3')
   1.000   39.4    3.9    2

assign (resid 16 and name H3')
       (resid 16 and name C3')
       (resid 16 and name C4')
       (resid 16 and name H4')
   1.000  -162.0  4.0    2

!Residue 17: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 17 and name H1')
       (resid 17 and name C1')
       (resid 17 and name C2')
       (resid 17 and name H2')
   1.000   99.2    10.0   2

assign (resid 17 and name H2')
       (resid 17 and name C2')
       (resid 17 and name C3')
       (resid 17 and name H3')
   1.000   39.4    3.9    2

assign (resid 17 and name H3')
       (resid 17 and name C3')
       (resid 17 and name C4')
       (resid 17 and name H4')
   1.000  -162.0  4.0    2

!Residue 18: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 18 and name H1')
       (resid 18 and name C1')
       (resid 18 and name C2')
       (resid 18 and name H2')
   1.000   99.2    10.0   2

assign (resid 18 and name H2')
       (resid 18 and name C2')
       (resid 18 and name C3')
       (resid 18 and name H3')
   1.000   39.4    3.9    2

assign (resid 18 and name H3')
       (resid 18 and name C3')
       (resid 18 and name C4')
       (resid 18 and name H4')
   1.000  -162.0  4.0    2

!Residue 19: phase angle=  10.000 , amplitude=  35.000, range in P=  20.000
assign (resid 19 and name H1')
       (resid 19 and name C1')
       (resid 19 and name C2')
       (resid 19 and name H2')
   1.000   99.2    10.0   2

assign (resid 19 and name H2')
       (resid 19 and name C2')
       (resid 19 and name C3')
       (resid 19 and name H3')
   1.000   39.4    3.9    2

assign (resid 19 and name H3')
       (resid 19 and name C3')
       (resid 19 and name C4')
       (resid 19 and name H4')
   1.000  -162.0  4.0    2


! Chi (G1-C6 and G14-C19 are 202+/-30)
assign (resid 1 and name O4')
       (resid 1 and name C1')
       (resid 1 and name N9)
       (resid 1 and name C4)
   1.000  202.000   30.000  2

assign (resid 2 and name O4')
       (resid 2 and name C1')
       (resid 2 and name N9)
       (resid 2 and name C4)
   1.000  202.000   30.000  2

assign (resid 3 and name O4')
       (resid 3 and name C1')
       (resid 3 and name N1)
       (resid 3 and name C2)
   1.000  202.000   30.000  2

assign (resid 4 and name O4')
       (resid 4 and name C1')
       (resid 4 and name N9)
       (resid 4 and name C4)
   1.000  202.000   30.000  2

assign (resid 5 and name O4')
       (resid 5 and name C1')
       (resid 5 and name N1)
       (resid 5 and name C2)
   1.000  202.000   30.000  2

assign (resid 6 and name O4')
       (resid 6 and name C1')
       (resid 6 and name N1)
       (resid 6 and name C2)
   1.000  202.000   30.000  2

assign (resid 14 and name O4')
       (resid 14 and name C1')
       (resid 14 and name N1)
       (resid 14 and name C2)
   1.000  202.000   30.000  2

assign (resid 15 and name O4')
       (resid 15 and name C1')
       (resid 15 and name N1)
       (resid 15 and name C2)
   1.000  202.000   30.000  2

assign (resid 16 and name O4')
       (resid 16 and name C1')
       (resid 16 and name N1)
       (resid 16 and name C2)
   1.000  202.000   30.000  2

assign (resid 17 and name O4')
       (resid 17 and name C1')
       (resid 17 and name N9)
       (resid 17 and name C4)
   1.000  202.000   30.000  2

assign (resid 18 and name O4')
       (resid 18 and name C1')
       (resid 18 and name N1)
       (resid 18 and name C2)
   1.000  202.000   30.000  2

assign (resid 19 and name O4')
       (resid 19 and name C1')
       (resid 19 and name N1)
       (resid 19 and name C2)
   1.000  202.000   30.000  2


! Beta (all are 180+/-15)
! (N.B. Beta nonexistent for G1)
! Gamma (all are 54+/-30)
! Epsilon (G1-C6 and G14-C19 are 202+/-20)
! (N.B. epsilon nonexistent for C19)

assign (resid 2 and name P)
       (resid 2 and name O5')
       (resid 2 and name C5')
       (resid 2 and name C4')
   1.000  180.000   15.000  2

assign (resid 3 and name P)
       (resid 3 and name O5')
       (resid 3 and name C5')
       (resid 3 and name C4')
   1.000  180.000   15.000  2

assign (resid 4 and name P)
       (resid 4 and name O5')
       (resid 4 and name C5')
       (resid 4 and name C4')
   1.000  180.000   15.000  2

assign (resid 5 and name P)
       (resid 5 and name O5')
       (resid 5 and name C5')
       (resid 5 and name C4')
   1.000  180.000   15.000  2

assign (resid 6 and name P)
       (resid 6 and name O5')
       (resid 6 and name C5')
       (resid 6 and name C4')
   1.000  180.000   15.000  2

assign (resid 15 and name P)
       (resid 15 and name O5')
       (resid 15 and name C5')
       (resid 15 and name C4')
   1.000  180.000   15.000  2

assign (resid 16 and name P)
       (resid 16 and name O5')
       (resid 16 and name C5')
       (resid 16 and name C4')
   1.000  180.000   15.000  2

assign (resid 17 and name P)
       (resid 17 and name O5')
       (resid 17 and name C5')
       (resid 17 and name C4')
   1.000  180.000   15.000  2

assign (resid 18 and name P)
       (resid 18 and name O5')
       (resid 18 and name C5')
       (resid 18 and name C4')
   1.000  180.000   15.000  2

assign (resid 19 and name P)
       (resid 19 and name O5')
       (resid 19 and name C5')
       (resid 19 and name C4')
   1.000  180.000   15.000  2

!Gamma
assign (resid 1 and name O5')
       (resid 1 and name C5')
       (resid 1 and name C4')
       (resid 1 and name C3')
   1.000   54.000   30.000  2

assign (resid 2 and name O5')
       (resid 2 and name C5')
       (resid 2 and name C4')
       (resid 2 and name C3')
   1.000   54.000   30.000  2

assign (resid 3 and name O5')
       (resid 3 and name C5')
       (resid 3 and name C4')
       (resid 3 and name C3')
   1.000   54.000   30.000  2

assign (resid 4 and name O5')
       (resid 4 and name C5')
       (resid 4 and name C4')
       (resid 4 and name C3')
   1.000   54.000   30.000  2

assign (resid 5 and name O5')
       (resid 5 and name C5')
       (resid 5 and name C4')
       (resid 5 and name C3')
   1.000   54.000   30.000  2

assign (resid 6 and name O5')
       (resid 6 and name C5')
       (resid 6 and name C4')
       (resid 6 and name C3')
   1.000   54.000   30.000  2

assign (resid 14 and name O5')
       (resid 14 and name C5')
       (resid 14 and name C4')
       (resid 14 and name C3')
   1.000   54.000   30.000  2

assign (resid 15 and name O5')
       (resid 15 and name C5')
       (resid 15 and name C4')
       (resid 15 and name C3')
   1.000   54.000   30.000  2

assign (resid 16 and name O5')
       (resid 16 and name C5')
       (resid 16 and name C4')
       (resid 16 and name C3')
   1.000   54.000   30.000  2

assign (resid 17 and name O5')
       (resid 17 and name C5')
       (resid 17 and name C4')
       (resid 17 and name C3')
   1.000   54.000   30.000  2

assign (resid 18 and name O5')
       (resid 18 and name C5')
       (resid 18 and name C4')
       (resid 18 and name C3')
   1.000   54.000   30.000  2

assign (resid 19 and name O5')
       (resid 19 and name C5')
       (resid 19 and name C4')
       (resid 19 and name C3')
   1.000   54.000   30.000  2

! Epsilon

assign (resid 1 and name C4')
       (resid 1 and name C3')
       (resid 1 and name O3')
       (resid 2 and name P)
   1.000  202.000   20.000  2

assign (resid 2 and name C4')
       (resid 2 and name C3')
       (resid 2 and name O3')
       (resid 3 and name P)
   1.000  202.000   20.000  2

assign (resid 3 and name C4')
       (resid 3 and name C3')
       (resid 3 and name O3')
       (resid 4 and name P)
   1.000  202.000   20.000  2

assign (resid 4 and name C4')
       (resid 4 and name C3')
       (resid 4 and name O3')
       (resid 5 and name P)
   1.000  202.000   20.000  2

assign (resid 5 and name C4')
       (resid 5 and name C3')
       (resid 5 and name O3')
       (resid 6 and name P)
   1.000  202.000   20.000  2

assign (resid 14 and name C4')
       (resid 14 and name C3')
       (resid 14 and name O3')
       (resid 15 and name P)
   1.000  202.000   20.000  2
 
assign (resid 15 and name C4')
       (resid 15 and name C3')
       (resid 15 and name O3')
       (resid 16 and name P)
   1.000  202.000   20.000  2

assign (resid 16 and name C4')
       (resid 16 and name C3')
       (resid 16 and name O3')
       (resid 17 and name P)
   1.000  202.000   20.000  2

assign (resid 17 and name C4')
       (resid 17 and name C3')
       (resid 17 and name O3')
       (resid 18 and name P)
   1.000  202.000   20.000  2

assign (resid 18 and name C4')
       (resid 18 and name C3')
       (resid 18 and name O3')
       (resid 19 and name P)
   1.000  202.000   20.000  2



! Alpha and Zeta: all are -66+/-20
! (N.B. alpha nonexistent for G1, zeta for U12)

assign (resid 1 and name O3')
       (resid 2 and name P)
       (resid 2 and name O5')
       (resid 2 and name C5')
   1.000  -66.000   20.000  2

assign (resid 2 and name O3')
       (resid 3 and name P)
       (resid 3 and name O5')
       (resid 3 and name C5')
   1.000  -66.000   20.000  2

assign (resid 3 and name O3')
       (resid 4 and name P)
       (resid 4 and name O5')
       (resid 4 and name C5')
   1.000  -66.000   20.000  2

assign (resid 4 and name O3')
       (resid 5 and name P)
       (resid 5 and name O5')
       (resid 5 and name C5')
   1.000  -66.000   20.000  2

assign (resid 5 and name O3')
       (resid 6 and name P)
       (resid 6 and name O5')
       (resid 6 and name C5')
   1.000  -66.000   20.000  2

assign (resid 14 and name O3')
       (resid 15 and name P)
       (resid 15 and name O5')
       (resid 15 and name C5')
   1.000  -66.000   20.000  2

assign (resid 15 and name O3')
       (resid 16 and name P)
       (resid 16 and name O5')
       (resid 16 and name C5')
   1.000  -66.000   20.000  2

assign (resid 16 and name O3')
       (resid 17 and name P)
       (resid 17 and name O5')
       (resid 17 and name C5')
   1.000  -66.000   20.000  2

assign (resid 17 and name O3')
       (resid 18 and name P)
       (resid 18 and name O5')
       (resid 18 and name C5')
   1.000  -66.000   20.000  2

assign (resid 18 and name O3')
       (resid 19 and name P)
       (resid 19 and name O5')
       (resid 19 and name C5')
   1.000  -66.000   20.000  2

! Zeta

assign (resid 1 and name C3')
       (resid 1 and name O3')
       (resid 2 and name P)
       (resid 2 and name O5')
   1.000  -66.000   20.000  2

assign (resid 2 and name C3')
       (resid 2 and name O3')
       (resid 3 and name P)
       (resid 3 and name O5')
   1.000  -66.000   20.000  2

assign (resid 3 and name C3')
       (resid 3 and name O3')
       (resid 4 and name P)
       (resid 4 and name O5')
   1.000  -66.000   20.000  2

assign (resid 4 and name C3')
       (resid 4 and name O3')
       (resid 5 and name P)
       (resid 5 and name O5')
   1.000  -66.000   20.000  2

assign (resid 5 and name C3')
       (resid 5 and name O3')
       (resid 6 and name P)
       (resid 6 and name O5')
   1.000  -66.000   20.000  2

assign (resid 14 and name C3')
       (resid 14 and name O3')
       (resid 15 and name P)
       (resid 15 and name O5')
   1.000  -66.000   20.000  2

assign (resid 15 and name C3')
       (resid 15 and name O3')
       (resid 16 and name P)
       (resid 16 and name O5')
   1.000  -66.000   20.000  2

assign (resid 16 and name C3')
       (resid 16 and name O3')
       (resid 17 and name P)
       (resid 17 and name O5')
   1.000  -66.000   20.000  2

assign (resid 17 and name C3')
       (resid 17 and name O3')
       (resid 18 and name P)
       (resid 18 and name O5')
   1.000  -66.000   20.000  2

assign (resid 18 and name C3')
       (resid 18 and name O3')
       (resid 19 and name P)
       (resid 19 and name O5')
   1.000  -66.000   20.000  2



end
set message=on end
set message=off end
! P-P distances for an A type helix 

!cross-strand:

! 5'->3'
assign (resid 1 and name H5T)
       (resid 16 and name P)
       15.98  1  1

assign (resid 1 and name H5T)
       (resid 15 and name P)
       13.00  1  1

assign (resid 1 and name H5T)
       (resid 14 and name P)
       9.61   1  1

! 3'->5'

assign (resid 18 and name P)
       (resid 4 and name P)
       16.47  1  1

assign (resid 18 and name P)
       (resid 5 and name P)
       16.15  1  1

assign (resid 18 and name P)
       (resid 6 and name P)
       17.35  1  1

!intra-strand:

!5'->3':
assign (resid 1 and name H5T)
       (resid 4 and name P)
       15.28  1  1

assign (resid 1 and name H5T)
       (resid 5 and name P)
       18.83  1  1

assign (resid 1 and name H5T)
       (resid 6 and name P)
       21.27  1  1

!3'->5'
assign (resid 19 and name P)
       (resid 16 and name P)
       15.28  1  1

assign (resid 19 and name P)
       (resid 15 and name P)
       18.83  1  1

assign (resid 19 and name P)
       (resid 14 and name P)
       21.27  1  1



set message=on end




! Dihedral Angle Restraints for the a angle in the stem of
! RNA hairpin SL3.
! filename: sl3_alfa2dat (1/10/96)


set message=off echo=off end
  restraints
     dihedral

! alpha hoek
 
    assign (resid 6 and name O3')  (resid 7 and name P)
	   (resid 7 and name O5')  (resid 7 and name C5')
           1.000    -68   30    2

    assign (resid 7 and name O3')  (resid 8 and name P)
	   (resid 8 and name O5')  (resid 8 and name C5')
           1.000    -68   30    2 

    assign (resid 8 and name O3')  (resid 9 and name P)
	   (resid 9 and name O5')  (resid 9 and name C5')
           1.000    -68   30    2 

!   assign (resid 10 and name O3')  (resid 11 and name P)
!          (resid 11 and name O5')  (resid 11 and name C5')
!          1.000    -68   30    2

!   assign (resid 11 and name O3')  (resid 12 and name P)
!          (resid 12 and name O5')  (resid 12 and name C5')
!          1.000    -68   30    2


end
set message=on echo=on end
! Dihedral Angle Restraints for the b angle in the stem of
! RNA hairpin sl3
! filename: sl3_beta3.dat

set message=off echo=off end
  restraints
       dihedral

{*! beta hoek    *}

assign (resid 7 and name P)   (resid 7 and name O5')
       (resid 7 and name C5')  (resid 7 and name C4')
       1.000    178    30    2

assign (resid 8 and name P)   (resid 8 and name O5')
       (resid 8 and name C5')  (resid 8 and name C4')
       1.000    178    30    2

assign (resid 9 and name P)   (resid 9 and name O5')
       (resid 9 and name C5')  (resid 9 and name C4')
       1.000    178    60    2

assign (resid 10 and name P)   (resid 10 and name O5')
       (resid 10 and name C5')  (resid 10 and name C4')
       1.000    178    120    2

assign (resid 11 and name P)   (resid 11 and name O5')
       (resid 11 and name C5')  (resid 11 and name C4')
       1.000    178    120    2

assign (resid 12 and name P)   (resid 12 and name O5')
       (resid 12 and name C5')  (resid 12 and name C4')
       1.000    178    120    2


assign (resid 13 and name P)   (resid 13 and name O5')
       (resid 13 and name C5')  (resid 13 and name C4')
       1.000    178    120    2

end
set message=on echo=on end

! Dihedral Angle Restraints for the CHI angles
! filename:sl3_chi.dat

set message=off echo=off end
  restraints
    dihedral


assign (resid 7 and name O4')  (resid 7 and name C1')
       (resid 7 and name N1)  (resid 7 and name C2 )
       1.000    -158   30    2

assign (resid 8 and name O4')  (resid 8 and name C1')
       (resid 8 and name N1)  (resid 8 and name C2 )
       1.000    -158   30    2

assign (resid 9 and name O4')  (resid 9 and name C1')
       (resid 9 and name N1)  (resid 9 and name C2 )
       1.000    -158   30    2

assign (resid 10 and name O4')  (resid 10 and name C1')
       (resid 10  and name N1)  (resid 10 and name C2 )
       1.000    -158   30    2

!C11 is syn; 21/10/96 uit;aan, grenzen ruimer 6/11/96
assign (resid 11 and name O4')  (resid 11 and name C1')
       (resid 11 and name N1)  (resid 11 and name C2 )
       1.000    65   60    2

!G12 is syn;
assign (resid 12 and name O4')  (resid 12 and name C1')
       (resid 12 and name N9)  (resid 12 and name C4 )
       1.000    65   60    2

assign (resid 13 and name O4')  (resid 13 and name C1')
       (resid 13 and name N1)  (resid 13 and name C2 )
       1.000    -158   30    2

end
set message=on echo=on end

!  Michael Kolk, 20/9/96
!  'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
!  Dubieuze NOE's die volgens no2di het gevolg zijn van spin-diffusie


set message=off end
assign (resid 2 and name H8)
       (resid 1 and name H8)
6  2  2

assign (resid 5 and name H2')
       (resid 4 and name H2)
6  1.5  1.5

assign (resid 5 and name H3')
       (resid 5 and name H5)
5  1.5  1.5

assign (resid 5 and name H3')
       (resid 6 and name H5)
5  2  2

!30/9/96 7->5 A
assign (resid 6 and name H5)
       (resid 5 and name H6)
5  2  2

assign (resid 6 and name H4')
       (resid 6 and name H5)
6  2  2

assign (resid 6 and name H1')
       (resid 7 and name H6)
4  1.5  1.5

!Eruit gehaald 8/10/96
!assign (resid 8 and name H2')
!       (resid 7 and name H1')
!4.2  2  2

!Strakker gezet 8/10/96
assign (resid 8 and name H5)
       (resid 7 and name H6)
4.1  1.2  0.8

assign (resid 7 and name H2')
       (resid 8 and name H5)
4.5  1.5 0.9

assign ((resid 8 and name H5'1) or (resid 8 and name H5'2))
       (resid 8 and name H5)
6  2  2

! 29/9/96 bounds van 3 naar 2A, dist 7 -> 5A
assign (resid 8 and name H1')
       (resid 9 and name H6)
5  2  2

assign (resid 8 and name H3')
       (resid 8 and name H5)
6  2  2

! 29/9/96 bounds van 3 naar 2A, dist 7 -> 5A
assign (resid 9 and name H6)
       (resid 8 and name H6)
5  2  2

! 29/9/96 bounds van 3 naar 2A, dist 7 -> 5A;
assign (resid 8 and name H2')
       (resid 9 and name H5)
5  2  2


! 29/9/96 bounds van 3 naar 2A, dist 7 -> 5A
assign (resid 8 and name H3')
       (resid 9 and name H5)
5  2  2

assign (resid 9 and name H2')
       (resid 9 and name H5)
4.6  1.5  1.5

!assign (resid 11 and name H5)
!       (resid 9 and name H6)
!7  2  2

assign (resid 10 and name H2')
       (resid 10 and name H5)
5  2  2

assign (resid 11 and name H1')
       (resid 11 and name H5)
6  2  2

assign (resid 11 and name H3')
       (resid 11 and name H1')
4  1.5  1.5

assign (resid 11 and name H2')
       (resid 11 and name H5)
5  2  2

assign (resid 15 and name H1')
       (resid 16 and name H6)
5  2  2

assign ((resid 19 and name H5'1) or (resid 19 and name H5'2))
       (resid 19 and name H5)
6  2  2

assign (resid 19 and name H5)
       (resid 19 and name H1')
5  2  2

assign (resid 19 and name H2')
       (resid 19 and name H5)
5  2  2

set message=on end
! Dihedral Angle Restraints for the e angle in the stem of
! RNA hairpin sl3: epsilon is never gauche +
! filename: sl3_epsilon.dat

set message=off echo=off end
  restraints
       dihedral


! Epsilon

assign (resid 7 and name C4')
       (resid 7 and name C3')
       (resid 7 and name O3')
       (resid 8 and name P)
   1.000  225.000   45.000  2

! Epsilon

assign (resid 8 and name C4')
       (resid 8 and name C3')
       (resid 8 and name O3')
       (resid 9 and name P)
   1.000  225.000   45.000  2

! Epsilon

assign (resid 9 and name C4')
       (resid 9 and name C3')
       (resid 9 and name O3')
       (resid 10 and name P)
   1.000  225.000   45.000  2

assign (resid 10 and name C4')
       (resid 10 and name C3')
       (resid 10 and name O3')
       (resid 11 and name P)
   1.000  225.000   45.000  2

assign (resid 11 and name C4')
       (resid 11 and name C3')
       (resid 11 and name O3')
       (resid 12 and name P)
   1.000  225.000   45.000  2

assign (resid 12 and name C4')
       (resid 12 and name C3')
       (resid 12 and name O3')
       (resid 13 and name P)
   1.000  225.000   45.000  2

assign (resid 13 and name C4')
       (resid 13 and name C3')
       (resid 13 and name O3')
       (resid 14 and name P)
   1.000  225.000   45.000  2

end
set message=on echo=on end


! Dihedral Angle Restraints for the g angle in the stem of
! RNA hairpin sl3
! filename:sl3_gamma2.dat

set message=off echo=off end
  restraints
       dihedral

! gamma hoek

    assign (resid 7 and name O5')  (resid 7 and name C5')
           (resid 7 and name C4')  (resid 7 and name C3')
           1.000    54     30    2

    assign (resid 8 and name O5')  (resid 8 and name C5')
           (resid 8 and name C4')  (resid 8 and name C3')
           1.000    54     30    2

    assign (resid 9 and name O5')  (resid 9 and name C5')
           (resid 9 and name C4')  (resid 9 and name C3')
           1.000    54     30    2

!   assign (resid 10 and name O5')  (resid 10 and name C5')
!          (resid 10 and name C4')  (resid 10 and name C3')
!          1.000    54     30    2

!   assign (resid 11 and name O5')  (resid 11 and name C5')
!          (resid 11 and name C4')  (resid 11 and name C3')
!          1.000    54     30    2

!   assign (resid 12 and name O5')  (resid 12 and name C5')
!          (resid 12 and name C4')  (resid 12 and name C3')
!          1.000    54     30    2

!   assign (resid 13 and name O5')  (resid 13 and name C5')
!          (resid 13 and name C4')  (resid 13 and name C3')
!          1.000    54     30    2

end
set message=on echo=on end

!  filename sl3_inter.dat
!  Michael Kolk, 20/9/96
!  'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
!  Lower bounds staan op 30%, upper bounds op 20%




set message=off end

!Veranderd res.1->res.2, intra
assign (resid 2 and name H5'1)
       (resid 2 and name H8)
3.5  1.1  0.7

assign (resid 1 and name H1')
       (resid 2 and name H8)
3.5  1.1  0.7

assign (resid 1 and name H2')
       (resid 2 and name H1')
4.6  1.4  0.9

assign (resid 1 and name H2')
       (resid 2 and name H8)
3.2  1.0  0.6

assign (resid 3 and name H5)
       (resid 2 and name H1')
6.7  2.0  1.3

assign (resid 2 and name H1')
       (resid 3 and name H6)
5.1  1.5  1.0

assign (resid 3 and name H5)
       (resid 2 and name H8)
4.3  1.3  0.9

assign (resid 2 and name H2')
       (resid 3 and name H5)
5.0  1.5  1.0

assign (resid 2 and name H2')
       (resid 3 and name H6)
2.7  0.8  0.5

assign (resid 2 and name H3')
       (resid 3 and name H5)
4.5  1.3  0.9

assign (resid 4 and name H1')
       (resid 3 and name H1')
5.6  1.7  1.1

assign (resid 3 and name H1')
       (resid 4 and name H8)
4.0  1.2  0.8

!Int. changed 5/11/96
assign (resid 3 and name H6)
       (resid 4 and name H8)
5.5  1.7  1.1

!H2'->H3' 5/11/96
assign (resid 3 and name H3')
       (resid 4 and name H8)
3.5  1.1  0.7

assign (resid 5 and name H5)
       (resid 4 and name H1')
5.8  1.7  1.2

assign (resid 4 and name H1')
       (resid 5 and name H6)
4.2  1.3  0.8

assign (resid 5 and name H1')
       (resid 4 and name H2)
3.4  1.0  0.7

assign (resid 5 and name H3')
       (resid 4 and name H2)
7.4  2.2  1.5


!Toegevoegd 5/11/96
assign (resid 5 and name H1')
       (resid 4 and name H2')
3.6  1.1  0.7

!H3'->H2' 5/11/96
assign (resid 16 and name H2')
       (resid 4 and name H2)
6.9  2.1  1.4

assign (resid 17 and name H1')
       (resid 4 and name H2)
3.5  1.1  0.7

assign (resid 17 and name H2')
       (resid 4 and name H2)
5.0  1.5  1.0

assign (resid 17 and name H3')
       (resid 4 and name H2)
6.7  2.0  1.3

assign (resid 5 and name H5)
       (resid 4 and name H8)
4.4  1.3  0.9

assign (resid 5 and name H6)
       (resid 4 and name H8)
4.9  1.5  1.0

assign (resid 4 and name H2')
       (resid 5 and name H5)
4.6  1.4  0.9

assign (resid 4 and name H2')
       (resid 5 and name H6)
3.1  0.9  0.6

assign (resid 4 and name H3')
       (resid 5 and name H5)
5.0  1.5  1.0

assign (resid 4 and name H3')
       (resid 5 and name H6)
4.5  1.3  0.9

!Afst. vergroot nav 100ms 6/11/96
assign (resid 5 and name H1')
       (resid 6 and name H6)
4.5  1.2  0.9

!Uit 5/11/96: toek. onzeker
!assign (resid 15 and name H1')
!       (resid 5 and name H1')
!4.8  1.4  1.0

assign (resid 5 and name H5)
       (resid 6 and name H5)
4.4  1.3  0.9

assign (resid 5 and name H2')
       (resid 6 and name H1')
4.0  1.2  0.8

assign (resid 5 and name H2')
       (resid 6 and name H5)
3.5  1.1  0.7

assign (resid 5 and name H3')
       (resid 6 and name H6)
2.7  0.8  0.5




assign (resid 14 and name H1')
       (resid 15 and name H8)
5.6  1.7  1.1

assign (resid 14 and name H8)
       (resid 15 and name H8)
4.7  1.4  0.9

assign (resid 14 and name H2')
       (resid 15 and name H8)
3.5  1.1  0.7

assign (resid 16 and name H5)
       (resid 15 and name H8)
4.6  1.4  0.9

assign (resid 15 and name H8)
       (resid 16 and name H6)
6.0  1.8  1.2

assign (resid 15 and name H2')
       (resid 16 and name H5)
4.1  1.2  0.8

assign (resid 15 and name H2')
       (resid 16 and name H6)
2.6  0.8  0.5

!toegevoegd 5/11/96
assign (resid 15 and name H2')
       (resid 16 and name H1')
4.5  1.4  0.9


!Weg 5/11/96
!assign ((resid 16 and name H5'1) or (resid 16 and name H5'2))
!       (resid 17 and name H1')
!4.3  1.3  0.9

assign (resid 16 and name H1')
       (resid 17 and name H1')
4.8  1.4  1.0

!Afst. veranderd nav 100ms 6/11/96
assign (resid 16 and name H1')
       (resid 17 and name H8)
4.5  1.4  0.9

!H1' v. 17->15 5/11/96
assign (resid 16 and name H5)
       (resid 15 and name H1')
4.9  1.5  1.0

!H3'->H2' 5/11/96
assign (resid 16 and name H2')
       (resid 17 and name H1')
4.5  1.3  0.9

!H3'->H2' 5/11/96
assign (resid 16 and name H2')
       (resid 17 and name H8)
3.4  1.0  0.7

assign (resid 17 and name H1')
       (resid 18 and name H1')
5.5  1.6  1.1

assign (resid 18 and name H5)
       (resid 17 and name H1')
6.0  1.8  1.2

assign (resid 17 and name H1')
       (resid 18 and name H6)
4.2  1.3  0.8

assign (resid 18 and name H5)
       (resid 17 and name H8)
5.2  1.6  1.0

assign (resid 17 and name H2')
       (resid 18 and name H1')
4.3  1.3  0.9

assign (resid 17 and name H2')
       (resid 18 and name H5)
5.0  1.5  1.0

assign (resid 17 and name H2')
       (resid 18 and name H6)
2.8  0.8  0.6

assign (resid 17 and name H3')
       (resid 18 and name H6)
3.6  1.1  0.7

assign (resid 18 and name H1')
       (resid 19 and name H6)
4.3  1.3  0.9

assign (resid 19 and name H3')
       (resid 18 and name H1')
6.1  1.8  1.2

assign (resid 18 and name H5)
       (resid 19 and name H5)
4.0  1.2  0.8

!H2'->H3' 5/11/96
assign (resid 18 and name H3')
       (resid 19 and name H5)
4.7  1.4  0.9

!H2'->H3' 5/11/96
assign (resid 18 and name H3')
       (resid 19 and name H6)
2.8  0.8  0.6

!H3'->H2' 5/11/96
assign (resid 18 and name H2')
       (resid 19 and name H1')
4.6  1.4  0.9

!H3'->H2' 5/11/96
assign (resid 18 and name H2')
       (resid 19 and name H6)
2.4  0.7  0.5

!Toegevoegd 5/11/96
assign (resid 18 and name H3')
       (resid 19 and name H5)
4.0  1.2  0.8


set message=on end
!  filename sl3_interloop.dat
!  Michael Kolk, 20/9/96
!  'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
!  Lower bounds staan op 30%, upper bounds op 20%
!  Uitproberen: alle G12 restraints 0.5A strakker 12/11/96



set message=off end
!Strakker 28/11/96
assign (resid 6 and name H2')
       (resid 7 and name H5)
4.5  0.5  1.0

assign (resid 6 and name H2')
       (resid 7 and name H6)
2.4  0.7  0.5

assign (resid 6 and name H3')
       (resid 7 and name H5)
3.9  1.2  0.8


assign (resid 6 and name H2')
       (resid 7 and name H1')
4.1  1.2  0.8

!Toegevoegd 8/11/96
assign (resid 6 and name H6)
       (resid 7 and name H5)
5.0  1.5  1.0

!Strakker gezet nav 200ms 8/11/96
assign (resid 7 and name H5)
       (resid 8 and name H5)
4.0  1.2  0.8

!Ruimer ivm overlap 8/11/96
assign (resid 7 and name H2')
       (resid 8 and name H1')
4.5  1.4  0.9

assign (resid 7 and name H2')
       (resid 8 and name H6)
2.5  0.8  0.5

!Toegevoegd 30/9/96
assign (resid 7 and name H1')
       (resid 8 and name H6)
4.5 1.5 1.5    

!Toegevoegd 30/9/96
assign (resid 7 and name H3')
       (resid 8 and name H6)
3.0 1.0 1.0

!Toegevoegd 30/9/96
assign (resid 7 and name H3')
       (resid 8 and name H5)
3.5 1.2 1.2

!Veranderd 1/10/96; int. overeenkomstig H5'; int. gewijzigd 18/10/96
assign ((resid 8 and name H5'1) or (resid 8 and name H5'2))
       (resid 9 and name H6)
4.5  1.4  0.9

!Toegevoegd 7/10/96; uit 18/10/96;weer aan 1/12/96
assign ((resid 8 and name H5'1) or (resid 8 and name H5'2))
       (resid 9 and name H5)
5.0  1.8  1.8


assign (resid 9 and name H5)
       (resid 8 and name H5)
3.8  1.1  0.8

assign (resid 9 and name H5)
       (resid 8 and name H6)
4.0  1.2  0.8

assign (resid 8 and name H2')
       (resid 9 and name H1')
4.2  1.3  0.8

assign (resid 8 and name H2')
       (resid 9 and name H6)
2.7  0.8  0.5

assign (resid 8 and name H3')
       (resid 9 and name H6)
3.0  0.9  0.6

!Toegevoegd 21/10/96
assign (resid 8 and name H4')
       (resid 9 and name H6)
4.7  1.4  0.9


! Verbeterd 30/9/96 (H5'->H3'); 18/10/96:H2'
assign (resid 9 and name H2')
       (resid 10 and name H6)
3.2  1.0  0.6

! Gewijzigd 18/10/96
assign (resid 9 and name H4')
       (resid 10 and name H6)
4.2  1.3  0.8


!Toegevoegd 8/11/96
assign (resid 9 and name H3')
       (resid 10 and name H6)
4.5  1.4  0.9


assign (resid 10 and name H5)
       (resid 9 and name H6)
4.7  1.4  0.9

!Toegevoegd 30/9/96;
assign (resid 9 and name H3')
       (resid 10 and name H5)
4.5 1.5 1.5

!Toegevoegd 8/10/96:sl3noe05
assign (resid 9 and name H5)
       (resid 10 and name H5)
5.0  1.5  1.5


assign ((resid 10 and name H5'1) or (resid 10 and name H5'2))
       (resid 11 and name H5)
4.8  1.4  1.0

assign ((resid 10 and name H5'1) or (resid 10 and name H5'2))
       (resid 11 and name H6)
4.2  1.3  0.8

assign ((resid 11 and name H5'1) or (resid 11 and name H5'2))
       (resid 10 and name H1')
4.5  1.4  0.9

!Strakker gezet nav sl3noe05 9/10/96
assign (resid 10 and name H1')
       (resid 11 and name H6)
4.5  1.35  1.35

!Toegevoegd 9/10/96
assign (resid 10 and name H1')
       (resid 11 and name H5)
4.5  1.5  1.5   

assign (resid 10 and name H3')
       (resid 11 and name H6)
3.3  1.0  0.7

!Toegevoegd 1/10/96
assign (resid 10 and name H3')
       (resid 11 and name H5)
5.0  1.5  1.5

!Toegevoegd 4/12/96
assign (resid 10 and name H4')
       (resid 11 and name H5)
3.5  1.4  0.7

!Toegevoegd 4/12/96
assign (resid 10 and name H4')
       (resid 11 and name H6) 
3.4  1.4  0.7


assign ((resid 11 and name H5'1) or (resid 11 and name H5'2))
       (resid 12 and name H8)
4.6  1.4  0.9

assign (resid 11 and name H3')
       (resid 12 and name H8)
4.5  1.4  0.9


assign (resid 13 and name H5)
       (resid 12 and name H8)
5.5  1.7  1.1

assign (resid 13 and name H5)
       (resid 12 and name H1')
3.5  1.1  0.7

assign (resid 12 and name H1')
       (resid 13 and name H6)
3.0  0.9  0.6

!Toegevoegd 8/10/96:sl3noe05
assign (resid 12 and name H8)
       (resid 13 and name H6)
4.5  1.4  0.9

!Toegevoegd 8/10/96
assign (resid 12 and name H3')
       (resid 13 and name H6)
4.5  1.4  0.9

! Strakker gezet 9/10/96
assign (resid 13 and name H1')
       (resid 14 and name H8)
4.0  1.2  1.2

assign (resid 13 and name H5)
       (resid 14 and name H8)
4.5  1.3  0.9

assign (resid 13 and name H2')
       (resid 14 and name H1')
3.9  1.2  0.8

assign (resid 13 and name H2')
       (resid 14 and name H8)
3.5  1.1  0.7

assign (resid 13 and name H3')
       (resid 14 and name H8)
2.8  0.8  0.6

set message=on end
!  filename sl3_intra.dat
!  Michael Kolk, 20/9/96
!  'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
!  Lower bounds staan op 30%, upper bounds op 20%


set message=off end
assign ((resid 1 and name H5'1) or (resid 1 and name H5'2))
       (resid 1 and name H1')
4.7  1.4  0.9

assign ((resid 1 and name H5'1) or (resid 1 and name H5'2))
       (resid 1 and name H8)
3.4  1.0  0.7


!H4'->H5' 5/11/96 
assign (resid 1 and name H5'1)
       (resid 1 and name H1')
4.2  1.3  0.8

!H4'->H5' 5/11/96
assign (resid 1 and name H5'1)
       (resid 1 and name H8)
4.3  1.3  0.9

!H4'->H5' 5/11/96
assign (resid 1 and name H5'1)
       (resid 1 and name H2')
3.9  1.2  0.8

assign (resid 1 and name H1')
       (resid 1 and name H8)
4.2  1.3  0.8

assign (resid 1 and name H2')
       (resid 1 and name H1')
3.4  1.0  0.7

!H3'->H4' 5/11/96
assign (resid 1 and name H4')
       (resid 1 and name H1')
3.6  1.1  0.7

assign (resid 1 and name H2')
       (resid 1 and name H8)
4.3  1.3  0.9

!H3'->H4' 5/11/96
assign (resid 1 and name H4')
       (resid 1 and name H8)
4.6  1.4  0.9

!H3'->H4' 5/11/96
assign (resid 1 and name H4')
       (resid 1 and name H2')
3.6  1.1  0.7

assign (resid 2 and name H1')
       (resid 2 and name H8)
4.0  1.2  0.8

assign (resid 2 and name H2')
       (resid 2 and name H1')
3.0  0.9  0.6

assign (resid 2 and name H3')
       (resid 2 and name H1')
4.1  1.2  0.8

assign ((resid 2 and name H5'1) or (resid 2 and name H5'2))
       (resid 2 and name H1')
4.7  1.4  0.9


assign (resid 2 and name H2')
       (resid 2 and name H8)
3.4  1.0  0.7

assign (resid 2 and name H3')
       (resid 2 and name H8)
4.1  1.2  0.8

!Toegevoegd 5/11/96
assign (resid 2 and name H5'1)
       (resid 2 and name H8)
3.5  1.1  0.7

!H4'->H2' 5/11/96
assign (resid 3 and name H2')
       (resid 3 and name H1')
3.1  0.9  0.6

assign (resid 3 and name H5)
       (resid 3 and name H1')
6.2  1.9  1.2

assign (resid 3 and name H1')
       (resid 3 and name H6)
4.0  1.2  0.8

!H2'->H3' 5/11/96
assign (resid 3 and name H3')
       (resid 3 and name H1')
4.2  1.3  0.8

!H3'->H4' 5/11/96
assign (resid 3 and name H4')
       (resid 3 and name H1')
3.6  1.1  0.7

!Toegevoegd 5/11/96
assign (resid 3 and name H2')
       (resid 3 and name H6)
3.4  1.1  0.7

!H2'->H3' 5/11/96
assign (resid 3 and name H3')
       (resid 3 and name H6)
3.0  0.9  0.6

!Toegevoegd 5/11/96
assign (resid 3 and name H4')
       (resid 3 and name H6)
4.0  1.2  0.8


assign ((resid 4 and name H5'1) or (resid 4 and name H5'2))
       (resid 4 and name H1')
5.0  1.5  1.0

assign (resid 4 and name H4')
       (resid 4 and name H1')
3.8  1.1  0.8

assign (resid 4 and name H1')
       (resid 4 and name H2)
4.5  1.3  0.9

assign (resid 4 and name H1')
       (resid 4 and name H8)
4.2  1.3  0.8

assign (resid 4 and name H2')
       (resid 4 and name H1')
3.3  1.0  0.7

assign (resid 4 and name H3')
       (resid 4 and name H1')
4.5  1.3  0.9

assign (resid 4 and name H3')
       (resid 4 and name H8)
3.6  1.1  0.7

!assign ((resid 5 and name H5'1) or (resid 5 and name H5'2))
!       (resid 5 and name H1')
!3.5  1.1  0.7

!Int. gewijzigd 5/11/96
assign ((resid 5 and name H5'1) or (resid 5 and name H5'2))
       (resid 5 and name H6)
4.0  1.2  0.8

!Toegevoegd 5/11/96
assign (resid 5 and name H4')
       (resid 5 and name H6)
4.3  1.3  0.9

assign ((resid 5 and name H5'1) or (resid 5 and name H5'2))
       (resid 5 and name H1')
4.4  1.3  0.9

assign ((resid 5 and name H5'1) or (resid 5 and name H5'2))
       (resid 5 and name H5)
6.2  1.9  1.2


assign (resid 5 and name H1')
       (resid 5 and name H6)
3.9  1.2  0.8

assign (resid 5 and name H2')
       (resid 5 and name H1')
2.7  0.8  0.5

assign (resid 5 and name H3')
       (resid 5 and name H1')
3.7  1.1  0.7

assign (resid 5 and name H2')
       (resid 5 and name H6)
3.9  1.2  0.8

assign (resid 5 and name H3')
       (resid 5 and name H6)
2.9  0.9  0.6

assign (resid 6 and name H4')
       (resid 6 and name H1')
3.9  1.2  0.8

!Int. changed 5/11/96: overlap with H3'
assign (resid 6 and name H4')
       (resid 6 and name H6)
4.0  1.2  0.8

assign (resid 6 and name H1')
       (resid 6 and name H6)
3.7  1.1  0.7

assign (resid 6 and name H2')
       (resid 6 and name H1')
2.8  0.8  0.6

assign (resid 6 and name H3')
       (resid 6 and name H1')
3.4  1.0  0.7

!Int. changed 5/11/96
assign ((resid 6 and name H5'1) or (resid 6 and name H5'2))
       (resid 6 and name H1')
4.5  1.4  0.9


assign (resid 14 and name H1')
       (resid 14 and name H8)
4.1  1.2  0.8

assign (resid 14 and name H2')
       (resid 14 and name H1')
3.3  1.0  0.7

assign (resid 14 and name H2')
       (resid 14 and name H8)
3.2  1.0  0.6

assign (resid 15 and name H1')
       (resid 15 and name H8)
4.4  1.3  0.9

!Toegevoegd 5/11/96; int. guess
assign (resid 15 and name H2')
       (resid 15 and name H8)
3.7  1.2  0.7

!Toegevoegd 5/11/96;
assign (resid 15 and name H3')
       (resid 15 and name H8)
3.9  1.2  0.8


assign (resid 15 and name H2')
       (resid 15 and name H1')
2.6  0.8  0.5

!Toegevoegd 5/11/96
assign (resid 15 and name H3')
       (resid 15 and name H1')
3.7  1.2  0.7

!Toegevoegd 5/11/96;
assign ((resid 15 and name H5'1) or (resid 15 and name H5'2))
       (resid 15 and name H8)
4.0  1.2  0.8

assign ((resid 16 and name H5'1) or (resid 16 and name H5'2))
       (resid 16 and name H1')
4.7  1.4  0.9

assign ((resid 16 and name H5'1) or (resid 16 and name H5'2))
       (resid 16 and name H6)
4.0  1.2  0.8

assign (resid 16 and name H5)
       (resid 16 and name H1')
7.3  2.2  1.5

assign (resid 16 and name H1')
       (resid 16 and name H6)
4.0  1.2  0.8

!H2'->H3' 5/11/96
assign (resid 16 and name H2')
       (resid 16 and name H1')
3.4  1.0  0.7

!H3'->H2' 5/11/96
assign (resid 16 and name H2')
       (resid 16 and name H1')
3.5  1.1  0.7

!H2'->H3' 5/11/96
assign (resid 16 and name H3')
       (resid 16 and name H5)
3.8  1.1  0.8

!H2'->H3' 5/11/96
assign (resid 16 and name H3')
       (resid 16 and name H6)
3.2  1.0  0.6

!Toegevoegd 5/11/96
assign (resid 17 and name H3')
       (resid 17 and name H8)
3.0  0.9  0.6


assign (resid 17 and name H4')
       (resid 17 and name H8)
3.6  1.1  0.7

assign (resid 17 and name H1')
       (resid 17 and name H8)
4.0  1.2  0.8

assign (resid 17 and name H2')
       (resid 17 and name H1')
2.8  0.8  0.6

assign (resid 17 and name H3')
       (resid 17 and name H1')
3.6  1.1  0.7

assign (resid 17 and name H2')
       (resid 17 and name H8)
3.5  1.1  0.7

assign ((resid 18 and name H5'1) or (resid 18 and name H5'2))
       (resid 18 and name H1')
4.3  1.3  0.9

assign ((resid 18 and name H5'1) or (resid 18 and name H5'2))
       (resid 18 and name H6)
3.5  1.1  0.7

assign ((resid 18 and name H5'1) or (resid 18 and name H5'2))
       (resid 18 and name H1')
5.0  1.5  1.0

assign (resid 18 and name H4')
       (resid 18 and name H1')
3.5  1.1  0.7

assign (resid 18 and name H4')
       (resid 18 and name H6)
3.5  1.1  0.7

assign (resid 18 and name H1')
       (resid 18 and name H6)
3.8  1.1  0.8

!Toegev. 5/11/96
assign (resid 18 and name H3')
       (resid 18 and name H5)
4.8  1.4  1.0


!H2'->H3' 5/11/96
assign (resid 18 and name H3')
       (resid 18 and name H1')
3.2  1.0  0.6

!H3'->H2' 5/11/96
assign (resid 18 and name H2')
       (resid 18 and name H1')
2.7  0.8  0.5

!H2'->H3' 5/11/96
assign (resid 18 and name H3')
       (resid 18 and name H5)
4.8  1.4  1.0

!H2'->H3' 5/11/96
assign (resid 18 and name H3')
       (resid 18 and name H6)
2.8  0.8  0.6

!H3'->H2' 5/11/96
assign (resid 18 and name H2')
       (resid 18 and name H6)
3.6  1.1  0.7

!Int. guess 5/11/96
assign ((resid 19 and name H5'1) or (resid 19 and name H5'2))
       (resid 19 and name H6)
4.0  1.2  0.8

assign (resid 19 and name H1')
       (resid 19 and name H6)
4.0  1.2  0.8

assign (resid 19 and name H2')
       (resid 19 and name H1')
2.6  0.8  0.5

assign (resid 19 and name H3')
       (resid 19 and name H1')
3.1  0.9  0.6

assign (resid 19 and name H2')
       (resid 19 and name H6)
2.8  0.8  0.6

!Stand. guess 5/11/96
assign (resid 19 and name H3')
       (resid 19 and name H6)
2.8  0.8  0.6


!Stand. guess 5/11/96
assign (resid 19 and name H4')
       (resid 19 and name H6)
4.0  1.2  0.8

!Stand. guess 5/11/96
assign (resid 19 and name H4')
       (resid 19 and name H1')
3.5  1.1  0.7



set message=on end
!  filename sl3_intraloop2.dat
!  Michael Kolk, 20/9/96
!  'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
!  Lower bounds staan op 30%, upper bounds op 20%
!  Alle G12 afstanden korter 12/11/96

set message=off end

assign ((resid 7 and name H5'1) or (resid 7 and name H5'2))
       (resid 7 and name H1')
4.2  1.3  0.8

assign ((resid 7 and name H5'1) or (resid 7 and name H5'2))
       (resid 7 and name H6)
3.5  1.1  0.7

assign (resid 7 and name H1')
       (resid 7 and name H6)
3.3  1.0  0.7

assign (resid 7 and name H2')
       (resid 7 and name H5)
4.1  1.2  0.8


assign (resid 7 and name H2')
       (resid 7 and name H1')
2.7  0.8  0.5

assign (resid 7 and name H3')
       (resid 7 and name H1')
3.2  1.0  0.6

!Toegevoegd 21/10/96
assign (resid 7 and name H4')
       (resid 7 and name H1')
3.8  1.1  0.8

assign (resid 7 and name H2')
       (resid 7 and name H6)
2.7  0.8  0.5

assign (resid 7 and name H3')
       (resid 7 and name H6)
2.5  0.8  0.5

assign ((resid 8 and name H5'1) or (resid 8 and name H5'2))
       (resid 8 and name H1')
3.8  1.1  0.8

assign ((resid 8 and name H5'1) or (resid 8 and name H5'2))
       (resid 8 and name H6)
3.2  1.0  0.6

assign ((resid 8 and name H5'1) or (resid 8 and name H5'2))
       (resid 8 and name H1')
4.4  1.3  0.9

assign ((resid 8 and name H5'1) or (resid 8 and name H5'2))
       (resid 8 and name H5)
5.0  1.5  1.0


assign (resid 8 and name H4')
       (resid 8 and name H1')
3.1  0.9  0.6

assign (resid 8 and name H1')
       (resid 8 and name H6)
3.5  1.1  0.7

assign (resid 8 and name H2')
       (resid 8 and name H1')
2.5  0.8  0.5

assign (resid 8 and name H3')
       (resid 8 and name H1')
3.6  1.1  0.7


assign (resid 8 and name H2')
       (resid 8 and name H6)
2.7  0.8  0.5

assign (resid 8 and name H3')
       (resid 8 and name H6)
2.8  0.8  0.6

assign (resid 8 and name H4')
       (resid 8 and name H6)
3.7  1.1  0.9


!Verwijderd 2/10/96;
assign (resid 9 and name H4')
       (resid 9 and name H6)
3.6  1.2  0.8

assign (resid 9 and name H1')
       (resid 9 and name H6)
3.5  1.1  0.7

assign (resid 9 and name H2')
       (resid 9 and name H1')
2.5  0.8  0.5


!Veranderd 18/10/96
assign (resid 9 and name H2')
       (resid 9 and name H6)
3.5  1.1  0.7

!Toegevoegd 18/10/96
assign (resid 9 and name H3')
       (resid 9 and name H6)
2.2  0.7  0.4

!Toegevoegd 18/10/96
assign ((resid 9 and name H5'1) or (resid 9 and name H5'2))
       (resid 9 and name H6)
3.6  1.1  0.7

assign ((resid 10 and name H5'1) or (resid 10 and name H5'2))
       (resid 10 and name H6)
3.6  1.1  0.7

assign ((resid 10 and name H5'1) or (resid 10 and name H5'2))
       (resid 10 and name H1')
3.9  1.2  0.8

assign ((resid 10 and name H5'1) or (resid 10 and name H5'2))
       (resid 10 and name H6)
3.6  1.1  0.7

assign (resid 10 and name H1')
       (resid 10 and name H6)
3.3  1.0  0.7

assign (resid 10 and name H2')
       (resid 10 and name H1')
2.8  0.8  0.6

assign (resid 10 and name H3')
       (resid 10 and name H1')
3.7  1.1  0.7

assign (resid 10 and name H2')
       (resid 10 and name H6)
2.2  0.7  0.4

assign (resid 10 and name H3')
       (resid 10 and name H6)
2.9  0.9  0.6

assign ((resid 11 and name H5'1) or (resid 11 and name H5'2))
       (resid 11 and name H1')
4.7  1.4  0.9

assign ((resid 11 and name H5'1) or (resid 11 and name H5'2))
       (resid 11 and name H6)
3.5  0.9  0.6

assign (resid 11 and name H1')
       (resid 11 and name H6)
2.6  0.8  0.5

assign (resid 11 and name H2')
       (resid 11 and name H1')
3.0  0.9  0.6

assign (resid 12 and name H1')
       (resid 12 and name H8)
3.4  1.0  0.7

assign (resid 12 and name H2')
       (resid 12 and name H1')
2.9  0.9  0.6

assign (resid 12 and name H2')
       (resid 12 and name H8)
3.9  1.2  0.8


!Toegevoegd 8/10/96:sl3noe05
assign (resid 12 and name H3')
       (resid 12 and name H8)
4.5  1.4  0.8

!Toegevoegd 8/10/96:sl3noe05
assign (resid 12 and name H1')
       (resid 12 and name H3')
4.0  1.2  0.8


assign (resid 13 and name H4')
       (resid 13 and name H1')
3.8  1.1  0.8

assign (resid 13 and name H1')
       (resid 13 and name H6)
4.0  1.2  0.8

! Added 29/9/96 (estimate):
assign (resid 13 and name H1')
       (resid 13 and name H6)
4.0  1.2  0.8


assign (resid 13 and name H2')
       (resid 13 and name H1')
3.2  1.0  0.6

assign (resid 13 and name H3')
       (resid 13 and name H1')
3.6  1.1  0.7

assign (resid 13 and name H3')
       (resid 13 and name H5)
4.7  1.4  0.9

assign (resid 13 and name H3')
       (resid 13 and name H6)
2.8  0.8  0.6

set message=on end
!  filename sl3_nonoe.dat
!  Michael Kolk, 1/10/96

set message=off end

assign (resid 8 and name H4')
       (resid 12 and name H8)
7.0 2.0 90.0

assign ((resid 8 and name H5'1) or (resid 8 and name H5'2))
       (resid 12 and name H8)
7.0 2.0 90.0

assign (resid 8 and name H1')
       (resid 12 and name H8)
7.0 2.0 90.0

assign (resid 8 and name H2')
       (resid 12 and name H8)
7.0 2.0 90.0

assign (resid 8 and name H3')
       (resid 12 and name H8)
7.0 2.0 90.0

assign (resid 7 and name H1')
       (resid 12 and name H8)
7.0 2.0 90.0
 
assign (resid 7 and name H2')
       (resid 12 and name H8)
7.0 2.0 90.0

assign (resid 7 and name H3')
       (resid 12 and name H8)
7.0 2.0 90.0

assign (resid 7 and name H4')
       (resid 12 and name H8)
7.0 2.0 90.0

assign ((resid 7 and name H5'1) or (resid 7 and name H5'2))
       (resid 12 and name H8)
7.0 2.0 90.0

assign (resid 9 and name H4')
       (resid 12 and name H8)
7.0 2.0 90.0

assign ((resid 9 and name H5'1) or (resid 9 and name H5'2))
       (resid 12 and name H8)
7.0 2.0 90.0
 
assign (resid 7 and name H5)
       (resid 6 and name H5'1)
7.0 2.0 90.0

assign (resid 13 and name H6)
       (resid 14 and name H8)
7.0 2.0 90.0

assign (resid 9 and name H6)
       (resid 10 and name H2')
7.0 2.0 90.0




set message=on end



set message=off echo=off end
! Planarity restraints for 1-6 and 14-19 of RNA-hairpin sl3.
! Restraints to prevent "buckling" of base pairs.
! filename sl3basevlak.dat
! M.Kolk, 24/9/96

restraints plane


group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
		or name O5T or name C5' or name H5' or name H5'' or name C4'
		or name H4' or name O4' or name C1' or name H1' or name C2'
		or name H2' or name H2' or name C3' or name H3'
		or name O3' or name H3T) and residue 1)
	  or (not( name P or name O1P or name O2P or name O5' or name H5T
		or name O5T or name C5' or name H5' or name H5'' or name C4'
		or name H4' or name O4' or name C1' or name H1' or name C2'
		or name H2' or name H2' or name C3' or name H3'
		or name O3' or name H3T) and residue 19))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
		or name O5T or name C5' or name H5' or name H5'' or name C4'
		or name H4' or name O4' or name C1' or name H1' or name C2'
		or name H2' or name H2' or name C3' or name H3'
		or name O3' or name H3T) and residue 2)
	  or (not( name P or name O1P or name O2P or name O5' or name H5T
		or name O5T or name C5' or name H5' or name H5'' or name C4'
		or name H4' or name O4' or name C1' or name H1' or name C2'
		or name H2' or name H2' or name C3' or name H3'
		or name O3' or name H3T) and residue 18))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 3)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 17))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 4)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 16))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 5)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 15))
  weight=20.0
end

group
  selection=((not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 6)
          or (not( name P or name O1P or name O2P or name O5' or name H5T
                or name O5T or name C5' or name H5' or name H5'' or name C4'
                or name H4' or name O4' or name C1' or name H1' or name C2'
                or name H2' or name H2' or name C3' or name H3'
                or name O3' or name H3T) and residue 14))
  weight=20.0
end


end
set message=on echo=on end
! Dihedral Angle Restraints for the sugars in the loop of
! RNA hairpin sl3
! PHIm=38.6, P=0-36(N-type), P=144-180(S-type)

set message=off end
restraints 
dihedral

assign (resid 7 and name H1')
       (resid 7 and name C1')
       (resid 7 and name C2')
       (resid 7 and name H2')
   1.000  99.2    10.0   2

assign (resid 7 and name H2')
       (resid 7 and name C2')
       (resid 7 and name C3')
       (resid 7 and name H3')
   1.000  39.4    3.9    2


assign (resid 7 and name H3')
       (resid 7 and name C3')
       (resid 7 and name C4')
       (resid 7 and name H4')
   1.000  -162.0  4.0    2

assign (resid 8 and name H1')
       (resid 8 and name C1')
       (resid 8 and name C2')
       (resid 8 and name H2')
   1.000  99.2    10.0   2

assign (resid 8 and name H2')
       (resid 8 and name C2')
       (resid 8 and name C3')
       (resid 8 and name H3')
   1.000  39.4    3.9    2


assign (resid 8 and name H3')
       (resid 8 and name C3')
       (resid 8 and name C4')
       (resid 8 and name H4')
   1.000  -162.0  4.0    2

!10-8-07: puck on for every residue to obtain correct puck.params
!assign (resid 9 and name H1')
!       (resid 9 and name C1')
!       (resid 9 and name C2')
!       (resid 9 and name H2')
!   1.000  99.2    10.0   2     

!assign (resid 9 and name H2')
!       (resid 9 and name C2')
!       (resid 9 and name C3')
!       (resid 9 and name H3')
!   1.000  39.4    3.9    2     


!assign (resid 9 and name H3')
!       (resid 9 and name C3')
!       (resid 9 and name C4')
!       (resid 9 and name H4')
!   1.000  -162.0  4.0    2    


assign (resid 10 and name H1')
       (resid 10 and name C1')
       (resid 10 and name C2')
       (resid 10 and name H2')
   1.000  157.4      3.8    2

assign (resid 10 and name H2')
       (resid 10 and name C2')
       (resid 10 and name C3')
       (resid 10 and name H3')
   1.000  -34.6      3.9    2


assign (resid 10 and name H3')
       (resid 10 and name C3')
       (resid 10 and name C4')
       (resid 10 and name H4')
   1.000  -100.5    10.5    2


!assign (resid 11 and name H1')
!       (resid 11 and name C1')
!       (resid 11 and name C2')
!       (resid 11 and name H2')
!   1.000  157.4      3.8    2

!assign (resid 11 and name H2')
!       (resid 11 and name C2')
!       (resid 11 and name C3')
!       (resid 11 and name H3')
!   1.000  -34.6      3.9    2


!assign (resid 11 and name H3')
!       (resid 11 and name C3')
!       (resid 11 and name C4')
!       (resid 11 and name H4')
!   1.000  -100.5    10.5    2 

!assign (resid 12 and name H1')
!       (resid 12 and name C1')
!       (resid 12 and name C2')
!       (resid 12 and name H2')
!   1.000  157.4      3.8    2

!assign (resid 12 and name H2')
!       (resid 12 and name C2')
!       (resid 12 and name C3')
!       (resid 12 and name H3')
!   1.000  -34.6      3.9    2


!assign (resid 12 and name H3')
!       (resid 12 and name C3')
!       (resid 12 and name C4')
!       (resid 12 and name H4')
!   1.000  -100.5    10.5    2

assign (resid 13 and name H1')
       (resid 13 and name C1')
       (resid 13 and name C2')
       (resid 13 and name H2')
   1.000  99.2    10.0   2

assign (resid 13 and name H2')
       (resid 13 and name C2')
       (resid 13 and name C3')
       (resid 13 and name H3')
   1.000  39.4    3.9    2


assign (resid 13 and name H3')
       (resid 13 and name C3')
       (resid 13 and name C4')
       (resid 13 and name H4')
   1.000  -162.0  4.0    2


end
set message=on end
! Dihedral Angle Restraints for the z angle in the stem of
! RNA hairpin SL3.
! filename: sl3_zeta2.dat (1/10/96)

set message=off echo=off end
  restraints
     dihedral

! zeta hoek

    assign (resid 6 and name C3')  (resid 6 and name O3')
           (resid 7 and name P)    (resid 7 and name O5')
           1.000    -71   30    2 

    assign (resid 7 and name C3')  (resid 7 and name O3')
           (resid 8 and name P)    (resid 8 and name O5')
           1.000    -71   30    2 

    assign (resid 8 and name C3')  (resid 8 and name O3')  
           (resid 9 and name P)    (resid 9 and name O5')
           1.000    -71   30    2 

!   assign (resid 10 and name C3')  (resid 10 and name O3')
!          (resid 11 and name P)    (resid 11 and name O5')
!          1.000    -71   30    2

!   assign (resid 11 and name C3')  (resid 11 and name O3')
!          (resid 12 and name P)    (resid 12 and name O5')
!          1.000    -71   30    2


end
set message=on echo=on end
set message=off echo=off end
! h-bruggen voor de stam van RNA hairpin sl3
! afstanden voor de GC waterstofbruggen uit Quanta, van Hans Hoppe.
! afstanden voor de AU waterstofbruggen uit Quanta, zelf opgemeten.
! in een AT basepaar. PS Dit basepaar was niet vlak in Quanta (in B-
! DNA zijn de baseparen wel vlak)
! In Xplor NOE Avaraging  R-6 ******************!!!!!!!!!

! G1-C19
assign (resid 1  and name O6)
       ((resid 19 and name H42) or (resid 19 and name H41))
1.83  0.1  0.1

assign (resid 1 and name H1)
       (resid 19 and name N3)
1.85  0.1  0.1

assign ((resid 1 and name H21) or (resid 1 and name H22))
       (resid 19 and name O2)
1.92  0.1  0.1

assign (resid 1 and name N2)
       (resid 19 and name O2)
2.88  0.2  0.2

assign (resid 1 and name C1')
       (resid 19 and name C1')
10.73  0.2  0.2


! G2-C18
assign (resid 2  and name O6)
       ((resid 18 and name H42) or (resid 18 and name H41))
1.83  0.1  0.1

assign (resid 2 and name H1)
       (resid 18 and name N3)
1.85  0.1  0.1

assign ((resid 2 and name H21) or (resid 2 and name H22))
       (resid 18 and name O2)
1.92  0.1  0.1

assign (resid 2 and name N2)
       (resid 18 and name O2)
2.88  0.2  0.2

assign (resid 2 and name C1')
       (resid 18 and name C1')
10.73  0.2  0.2

! C3-G17
assign (resid 17  and name O6)
       ((resid 3 and name H42) or (resid 3 and name H41))
1.83  0.1  0.1

assign (resid 17 and name H1)
       (resid 3 and name N3)
1.85  0.1  0.1

assign ((resid 17 and name H21) or (resid 17 and name H22))
       (resid 3 and name O2)
1.92  0.1  0.1

assign (resid 17 and name N2)
       (resid 3 and name O2)
2.88  0.2  0.2

assign (resid 17 and name C1')
       (resid 3 and name C1')
10.73  0.2  0.2

!A4-U16
assign (resid 16 and name O4)
       ((resid 4 and name H61) or (resid 4 and name H62))
1.91 0.1 0.1

assign (resid 16 and name N3)
       (resid 4 and name N1)
2.90 0.1 0.1

assign (resid 16 and name O2)
       (resid 4 and name C2)
3.75  0.2  0.2

assign (resid 16 and name C1')
       (resid 4 and name C1')
10.73  0.2  0.2


! C5-G15
assign (resid 15  and name O6)
       ((resid 5 and name H42) or (resid 5 and name H41))
1.83  0.1  0.1

assign (resid 15 and name H1)
       (resid 5 and name N3)
1.85  0.1  0.1

assign ((resid 15 and name H21) or (resid 15 and name H22))
       (resid 5 and name O2)
1.92  0.1  0.1

assign (resid 15 and name N2)
       (resid 5 and name O2)
2.88  0.2  0.2

assign (resid 15 and name C1')
       (resid 5 and name C1')
10.73  0.2  0.2


! C6-G14
assign (resid 14  and name O6)
       ((resid 6 and name H42) or (resid 6 and name H41))
1.83  0.1  0.1

assign (resid 14 and name H1)
       (resid 6 and name N3)
1.85  0.1  0.1

assign ((resid 14 and name H21) or (resid 14 and name H22))
       (resid 6 and name O2)
1.92  0.1  0.1

assign (resid 14 and name N2)
       (resid 6 and name O2)
2.88  0.2  0.2

assign (resid 14 and name C1')
       (resid 6 and name C1')
10.73  0.2  0.2


set message=on echo=off end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*      GUA   1  32.211   1.272 -14.593
    2   2H5*    G   1          2H5*      GUA   1  33.271   2.689 -14.440
    3    H4*    G   1           H4'      GUA   1  34.123   0.145 -14.856
    4    H3*    G   1           H3'      GUA   1  33.769   0.606 -11.929
    5   1H2*    G   1           H2'      GUA   1  35.768  -0.282 -11.409
    6   2HO*    G   1          OH2*      GUA   1  35.426  -1.693 -13.764
    7    H1*    G   1           H1'      GUA   1  37.173   0.515 -13.604
    8    H8     G   1           H8       GUA   1  35.454   3.544 -12.397
    9    H1     G   1           H1       GUA   1  40.810   2.287  -9.187
   10   1H2     G   1           H21      GUA   1  41.397   0.165  -9.478
   11   2H2     G   1           H22      GUA   1  40.468  -0.936 -10.472
   12    H5T    G   1           H5T      GUA   1  32.187   1.136 -12.329
   13   1H5*    G   2          1H5*      GUA   2  33.791  -4.181 -10.204
   14   2H5*    G   2          2H5*      GUA   2  34.482  -3.764 -11.763
   15    H4*    G   2           H4'      GUA   2  36.373  -4.385 -10.589
   16    H3*    G   2           H3'      GUA   2  34.925  -3.277  -8.203
   17   1H2*    G   2           H2'      GUA   2  36.911  -2.816  -7.112
   18   2HO*    G   2          OH2*      GUA   2  37.949  -4.755  -8.873
   19    H1*    G   2           H1'      GUA   2  38.394  -2.090  -9.341
   20    H8     G   2           H8       GUA   2  35.150  -0.244  -9.452
   21    H1     G   2           H1       GUA   2  39.394   2.361  -5.472
   22   1H2     G   2           H21      GUA   2  41.011   0.902  -5.033
   23   2H2     G   2           H22      GUA   2  41.037  -0.705  -5.725
   24   1H5*    C   3          1H5*      CYT   3  36.463  -6.844  -4.706
   25   2H5*    C   3          2H5*      CYT   3  37.343  -6.591  -6.205
   26    H4*    C   3           H4'      CYT   3  38.943  -5.977  -4.656
   27    H3*    C   3           H3'      CYT   3  36.607  -5.041  -3.017
   28   1H2*    C   3           H2'      CYT   3  37.913  -3.506  -1.890
   29   2HO*    C   3          OH2*      CYT   3  40.011  -5.202  -2.683
   30    H1*    C   3           H1'      CYT   3  39.582  -2.836  -4.008
   31   1H4     C   3           H41      CYT   3  35.901   2.245  -3.492
   32   2H4     C   3           H42      CYT   3  34.746   1.512  -4.584
   33    H5     C   3           H5       CYT   3  34.818  -0.820  -5.206
   34    H6     C   3           H6       CYT   3  36.131  -2.892  -5.081
   35   1H5*    A   4          1H5*      ADE   4  37.934  -6.850   1.680
   36   2H5*    A   4          2H5*      ADE   4  39.162  -6.578   0.453
   37    H4*    A   4           H4'      ADE   4  39.792  -5.120   2.163
   38    H3*    A   4           H3'      ADE   4  36.846  -4.709   2.491
   39   1H2*    A   4           H2'      ADE   4  37.153  -2.571   3.331
   40   2HO*    A   4          OH2*      ADE   4  39.368  -1.876   3.882
   41    H1*    A   4           H1'      ADE   4  39.366  -1.907   1.771
   42    H8     A   4           H8       ADE   4  36.518  -3.269  -0.304
   43   1H6     A   4           H61      ADE   4  34.582   2.556  -0.750
   44   2H6     A   4           H62      ADE   4  34.473   0.951  -1.437
   45    H2     A   4           H2       ADE   4  37.632   2.358   2.544
   46   1H5*    C   5          1H5*      CYT   5  36.375  -4.470   7.604
   47   2H5*    C   5          2H5*      CYT   5  37.905  -4.101   6.822
   48    H4*    C   5           H4'      CYT   5  37.330  -2.074   7.813
   49    H3*    C   5           H3'      CYT   5  34.524  -2.821   7.057
   50   1H2*    C   5           H2'      CYT   5  33.880  -0.598   6.944
   51   2HO*    C   5          OH2*      CYT   5  35.597   1.019   7.663
   52    H1*    C   5           H1'      CYT   5  36.239   0.390   5.876
   53   1H4     C   5           H41      CYT   5  32.397   0.211   0.877
   54   2H4     C   5           H42      CYT   5  32.814  -1.467   0.616
   55    H5     C   5           H5       CYT   5  34.014  -2.790   2.228
   56    H6     C   5           H6       CYT   5  35.237  -2.746   4.357
   57   1H5*    C   6          1H5*      CYT   6  31.837  -1.477  11.228
   58   2H5*    C   6          2H5*      CYT   6  33.380  -0.707  10.872
   59    H4*    C   6           H4'      CYT   6  31.900   1.072  10.632
   60    H3*    C   6           H3'      CYT   6  30.010  -1.028   9.623
   61   1H2*    C   6           H2'      CYT   6  28.909   0.451   8.238
   62   2HO*    C   6          OH2*      CYT   6  30.034   2.429   9.930
   63    H1*    C   6           H1'      CYT   6  31.094   2.036   7.554
   64   1H4     C   6           H41      CYT   6  31.285  -2.623   2.981
   65   2H4     C   6           H42      CYT   6  30.302  -1.342   2.309
   66    H5     C   6           H5       CYT   6  31.961  -2.689   5.296
   67    H6     C   6           H6       CYT   6  31.940  -1.480   7.428
   68   1H5*    U   7          1H5*      URI   7  26.415   2.194  10.818
   69   2H5*    U   7          2H5*      URI   7  28.087   2.223  10.183
   70    H4*    U   7           H4'      URI   7  26.616   3.231   8.542
   71    H3*    U   7           H3'      URI   7  24.997   0.763   9.051
   72   1H2*    U   7           H2'      URI   7  24.324   0.577   6.873
   73   2HO*    U   7          OH2*      URI   7  24.992   3.328   6.726
   74    H1*    U   7           H1'      URI   7  26.657   1.497   5.663
   75    H3     U   7           H3       URI   7  26.636  -2.732   4.173
   76    H5     U   7           H5       URI   7  26.784  -3.206   8.358
   77    H6     U   7           H6       URI   7  26.620  -0.795   8.571
   78   1H5*    C   8          1H5*      CYT   8  21.084   2.741   7.166
   79   2H5*    C   8          2H5*      CYT   8  22.845   2.589   6.917
   80    H4*    C   8           H4'      CYT   8  21.620   1.533   5.094
   81    H3*    C   8           H3'      CYT   8  20.315   0.112   7.384
   82   1H2*    C   8           H2'      CYT   8  20.246  -1.891   6.277
   83   2HO*    C   8          OH2*      CYT   8  20.841  -1.779   3.877
   84    H1*    C   8           H1'      CYT   8  22.619  -1.588   4.819
   85   1H4     C   8           H41      CYT   8  23.672  -4.553  10.665
   86   2H4     C   8           H42      CYT   8  23.980  -5.753   9.430
   87    H5     C   8           H5       CYT   8  22.909  -2.321  10.174
   88    H6     C   8           H6       CYT   8  22.283  -0.755   8.401
   89   1H5*    C   9          1H5*      CYT   9  16.654  -1.671   5.245
   90   2H5*    C   9          2H5*      CYT   9  18.409  -1.499   4.955
   91    H4*    C   9           H4'      CYT   9  17.824  -3.842   5.297
   92    H3*    C   9           H3'      CYT   9  16.210  -2.714   7.418
   93   1H2*    C   9           H2'      CYT   9  17.081  -3.661   9.222
   94   2HO*    C   9          OH2*      CYT   9  17.258  -5.805   9.369
   95    H1*    C   9           H1'      CYT   9  19.497  -4.811   8.239
   96   1H4     C   9           H41      CYT   9  20.530   0.540  12.025
   97   2H4     C   9           H42      CYT   9  21.486  -0.764  12.694
   98    H5     C   9           H5       CYT   9  19.095   0.271  10.105
   99    H6     C   9           H6       CYT   9  18.271  -1.303   8.409
  100   1H5*    U  10          1H5*      URI  10  12.986  -4.907   4.960
  101   2H5*    U  10          2H5*      URI  10  11.799  -5.199   6.266
  102    H4*    U  10           H4'      URI  10  10.831  -3.612   4.737
  103    H3*    U  10           H3'      URI  10  13.391  -2.838   4.177
  104   1H2*    U  10           H2'      URI  10  13.881  -1.668   6.056
  105   2HO*    U  10          OH2*      URI  10  13.449   0.572   5.747
  106    H1*    U  10           H1'      URI  10  11.176  -0.508   6.372
  107    H3     U  10           H3       URI  10  12.428   0.949  10.443
  108    H5     U  10           H5       URI  10  14.404  -2.762  10.099
  109    H6     U  10           H6       URI  10  13.438  -2.992   7.874
  110   1H5*    C  11          1H5*      CYT  11  15.170  -1.202   1.304
  111   2H5*    C  11          2H5*      CYT  11  14.743  -2.136   2.769
  112    H4*    C  11           H4'      CYT  11  16.104  -3.539   1.328
  113    H3*    C  11           H3'      CYT  11  14.614  -2.240  -0.784
  114   1H2*    C  11           H2'      CYT  11  13.384  -3.900  -1.688
  115   2HO*    C  11          OH2*      CYT  11  15.614  -5.508  -1.018
  116    H1*    C  11           H1'      CYT  11  13.261  -5.857   0.265
  117   1H4     C  11           H41      CYT  11   8.008  -1.830   0.334
  118   2H4     C  11           H42      CYT  11   7.962  -2.457   1.967
  119    H5     C  11           H5       CYT  11   9.702  -3.835   2.893
  120    H6     C  11           H6       CYT  11  11.910  -4.827   2.504
  121   1H5*    G  12          1H5*      GUA  12  18.394  -2.351  -4.763
  122   2H5*    G  12          2H5*      GUA  12  18.154  -1.195  -3.417
  123    H4*    G  12           H4'      GUA  12  20.436  -1.005  -3.754
  124    H3*    G  12           H3'      GUA  12  20.148  -3.572  -5.032
  125   1H2*    G  12           H2'      GUA  12  21.411  -4.941  -3.806
  126   2HO*    G  12          OH2*      GUA  12  23.386  -4.381  -4.323
  127    H1*    G  12           H1'      GUA  12  22.124  -3.440  -1.522
  128    H8     G  12           H8       GUA  12  19.704  -3.757   0.274
  129    H1     G  12           H1       GUA  12  18.964  -9.221  -2.925
  130   1H2     G  12           H21      GUA  12  20.159  -9.176  -4.793
  131   2H2     G  12           H22      GUA  12  21.142  -7.801  -5.246
  132   1H5*    C  13          1H5*      CYT  13  24.513  -2.628  -4.371
  133   2H5*    C  13          2H5*      CYT  13  25.516  -1.431  -5.245
  134    H4*    C  13           H4'      CYT  13  22.849  -0.459  -5.334
  135    H3*    C  13           H3'      CYT  13  25.385   0.261  -3.903
  136   1H2*    C  13           H2'      CYT  13  24.342   1.682  -2.451
  137   2HO*    C  13          OH2*      CYT  13  22.274   2.531  -2.852
  138    H1*    C  13           H1'      CYT  13  21.943   0.304  -2.172
  139   1H4     C  13           H41      CYT  13  26.246  -2.035   2.254
  140   2H4     C  13           H42      CYT  13  25.710  -0.519   2.944
  141    H5     C  13           H5       CYT  13  25.667  -2.747   0.027
  142    H6     C  13           H6       CYT  13  24.355  -2.228  -1.972
  143   1H5*    G  14          1H5*      GUA  14  25.692   5.118  -4.964
  144   2H5*    G  14          2H5*      GUA  14  24.308   4.050  -4.767
  145    H4*    G  14           H4'      GUA  14  24.299   5.398  -2.827
  146    H3*    G  14           H3'      GUA  14  27.277   5.010  -2.933
  147   1H2*    G  14           H2'      GUA  14  27.476   5.136  -0.637
  148   2HO*    G  14          OH2*      GUA  14  25.603   5.806   0.648
  149    H1*    G  14           H1'      GUA  14  25.152   3.813   0.020
  150    H8     G  14           H8       GUA  14  26.943   1.892  -2.646
  151    H1     G  14           H1       GUA  14  29.366   0.949   3.165
  152   1H2     G  14           H21      GUA  14  28.657   2.537   4.545
  153   2H2     G  14           H22      GUA  14  27.582   3.816   4.028
  154   1H5*    G  15          1H5*      GUA  15  29.033   9.813  -1.793
  155   2H5*    G  15          2H5*      GUA  15  27.474   9.294  -1.168
  156    H4*    G  15           H4'      GUA  15  28.739   9.698   0.769
  157    H3*    G  15           H3'      GUA  15  30.988   8.496  -0.820
  158   1H2*    G  15           H2'      GUA  15  32.029   7.678   1.069
  159   2HO*    G  15          OH2*      GUA  15  31.054   8.314   3.206
  160    H1*    G  15           H1'      GUA  15  29.769   6.916   2.437
  161    H8     G  15           H8       GUA  15  29.571   5.932  -1.208
  162    H1     G  15           H1       GUA  15  32.834   1.811   2.387
  163   1H2     G  15           H21      GUA  15  32.944   4.407   4.713
  164   2H2     G  15           H22      GUA  15  33.400   2.766   4.312
  165   1H5*    U  16          1H5*      URI  16  34.833  11.705   0.858
  166   2H5*    U  16          2H5*      URI  16  33.363  11.493   1.798
  167    H4*    U  16           H4'      URI  16  35.025  10.768   3.275
  168    H3*    U  16           H3'      URI  16  36.317   9.715   0.782
  169   1H2*    U  16           H2'      URI  16  37.391   8.017   1.906
  170   2HO*    U  16          OH2*      URI  16  36.937   9.654   4.152
  171    H1*    U  16           H1'      URI  16  35.353   7.357   3.619
  172    H3     U  16           H3       URI  16  35.753   3.827   0.809
  173    H5     U  16           H5       URI  16  33.460   6.670  -1.292
  174    H6     U  16           H6       URI  16  34.038   8.295   0.402
  175   1H5*    G  17          1H5*      GUA  17  41.171  10.317   1.424
  176   2H5*    G  17          2H5*      GUA  17  40.074  10.117   2.782
  177    H4*    G  17           H4'      GUA  17  41.267   8.143   2.840
  178    H3*    G  17           H3'      GUA  17  41.283   8.345  -0.149
  179   1H2*    G  17           H2'      GUA  17  41.533   6.045  -0.354
  180   2HO*    G  17          OH2*      GUA  17  42.052   4.762   1.544
  181    H1*    G  17           H1'      GUA  17  39.964   5.334   1.826
  182    H8     G  17           H8       GUA  17  38.174   7.831  -0.299
  183    H1     G  17           H1       GUA  17  37.743   1.872  -2.534
  184   1H2     G  17           H21      GUA  17  40.469   1.232  -0.454
  185   2H2     G  17           H22      GUA  17  39.329   0.607  -1.625
  186   1H5*    C  18          1H5*      CYT  18  45.937   6.552  -1.111
  187   2H5*    C  18          2H5*      CYT  18  45.091   6.228   0.393
  188    H4*    C  18           H4'      CYT  18  45.172   4.118  -0.519
  189    H3*    C  18           H3'      CYT  18  44.941   5.508  -3.175
  190   1H2*    C  18           H2'      CYT  18  44.089   3.593  -4.146
  191   2HO*    C  18          OH2*      CYT  18  45.343   2.316  -1.960
  192    H1*    C  18           H1'      CYT  18  42.668   2.701  -1.906
  193   1H4     C  18           H41      CYT  18  38.304   6.338  -5.135
  194   2H4     C  18           H42      CYT  18  38.126   4.720  -5.780
  195    H5     C  18           H5       CYT  18  40.153   7.000  -3.730
  196    H6     C  18           H6       CYT  18  42.105   6.210  -2.479
  197   1H5*    C  19          1H5*      CYT  19  48.547   2.265  -5.425
  198   2H5*    C  19          2H5*      CYT  19  47.818   1.915  -3.860
  199    H4*    C  19           H4'      CYT  19  47.071   0.086  -5.077
  200    H3*    C  19           H3'      CYT  19  47.209   1.977  -7.390
  201   1H2*    C  19           H2'      CYT  19  45.533   0.955  -8.541
  202   2HO*    C  19          OH2*      CYT  19  46.103  -1.282  -6.887
  203    H1*    C  19           H1'      CYT  19  43.986   0.167  -6.391
  204   1H4     C  19           H41      CYT  19  41.754   6.157  -7.754
  205   2H4     C  19           H42      CYT  19  40.762   5.064  -8.693
  206    H5     C  19           H5       CYT  19  43.757   5.461  -6.601
  207    H6     C  19           H6       CYT  19  45.186   3.540  -6.037
  208    H3T    C  19           H3T      CYT  19  48.134   0.041  -8.333
   
  Start of MODEL    2
    1   1H5*    G   1          1H5*      GUA   1  32.549   0.799 -14.617
    2   2H5*    G   1          2H5*      GUA   1  33.501   2.288 -14.448
    3    H4*    G   1           H4'      GUA   1  34.551  -0.173 -14.887
    4    H3*    G   1           H3'      GUA   1  34.122   0.200 -11.954
    5   1H2*    G   1           H2'      GUA   1  36.189  -0.533 -11.428
    6   2HO*    G   1          OH2*      GUA   1  35.979  -1.918 -13.810
    7    H1*    G   1           H1'      GUA   1  37.545   0.433 -13.576
    8    H8     G   1           H8       GUA   1  35.575   3.293 -12.339
    9    H1     G   1           H1       GUA   1  40.892   2.287  -8.979
   10   1H2     G   1           H21      GUA   1  41.625   0.219  -9.314
   11   2H2     G   1           H22      GUA   1  40.804  -0.904 -10.373
   12    H5T    G   1           H5T      GUA   1  32.464   0.655 -12.371
   13   1H5*    G   2          1H5*      GUA   2  34.276  -4.617 -10.237
   14   2H5*    G   2          2H5*      GUA   2  35.044  -4.183 -11.756
   15    H4*    G   2           H4'      GUA   2  36.868  -4.776 -10.455
   16    H3*    G   2           H3'      GUA   2  35.292  -3.613  -8.176
   17   1H2*    G   2           H2'      GUA   2  37.215  -3.105  -7.000
   18   2HO*    G   2          OH2*      GUA   2  38.358  -5.077  -8.658
   19    H1*    G   2           H1'      GUA   2  38.795  -2.408  -9.170
   20    H8     G   2           H8       GUA   2  35.519  -0.642  -9.501
   21    H1     G   2           H1       GUA   2  39.470   2.173  -5.364
   22   1H2     G   2           H21      GUA   2  41.093   0.768  -4.795
   23   2H2     G   2           H22      GUA   2  41.199  -0.853  -5.441
   24   1H5*    C   3          1H5*      CYT   3  36.666  -7.086  -4.500
   25   2H5*    C   3          2H5*      CYT   3  37.634  -6.867  -5.950
   26    H4*    C   3           H4'      CYT   3  39.144  -6.236  -4.317
   27    H3*    C   3           H3'      CYT   3  36.719  -5.249  -2.847
   28   1H2*    C   3           H2'      CYT   3  37.966  -3.706  -1.661
   29   2HO*    C   3          OH2*      CYT   3  40.306  -3.800  -1.719
   30    H1*    C   3           H1'      CYT   3  39.728  -3.037  -3.688
   31   1H4     C   3           H41      CYT   3  35.799   1.887  -3.522
   32   2H4     C   3           H42      CYT   3  34.738   1.065  -4.645
   33    H5     C   3           H5       CYT   3  34.943  -1.273  -5.180
   34    H6     C   3           H6       CYT   3  36.359  -3.267  -4.956
   35   1H5*    A   4          1H5*      ADE   4  37.738  -6.915   1.964
   36   2H5*    A   4          2H5*      ADE   4  39.046  -6.682   0.814
   37    H4*    A   4           H4'      ADE   4  39.571  -5.165   2.505
   38    H3*    A   4           H3'      ADE   4  36.605  -4.749   2.674
   39   1H2*    A   4           H2'      ADE   4  36.874  -2.590   3.466
   40   2HO*    A   4          OH2*      ADE   4  39.091  -1.885   4.059
   41    H1*    A   4           H1'      ADE   4  39.133  -1.951   1.976
   42    H8     A   4           H8       ADE   4  36.431  -3.461  -0.182
   43   1H6     A   4           H61      ADE   4  34.321   2.280  -0.893
   44   2H6     A   4           H62      ADE   4  34.291   0.652  -1.531
   45    H2     A   4           H2       ADE   4  37.244   2.288   2.522
   46   1H5*    C   5          1H5*      CYT   5  35.863  -4.387   7.767
   47   2H5*    C   5          2H5*      CYT   5  37.446  -4.062   7.074
   48    H4*    C   5           H4'      CYT   5  36.881  -1.991   7.943
   49    H3*    C   5           H3'      CYT   5  34.073  -2.730   7.179
   50   1H2*    C   5           H2'      CYT   5  33.463  -0.513   6.949
   51   2HO*    C   5          OH2*      CYT   5  35.719  -0.046   8.588
   52    H1*    C   5           H1'      CYT   5  35.877   0.422   5.933
   53   1H4     C   5           H41      CYT   5  32.178   0.266   0.831
   54   2H4     C   5           H42      CYT   5  32.612  -1.410   0.574
   55    H5     C   5           H5       CYT   5  33.771  -2.739   2.222
   56    H6     C   5           H6       CYT   5  34.903  -2.700   4.394
   57   1H5*    C   6          1H5*      CYT   6  31.639  -0.778  11.421
   58   2H5*    C   6          2H5*      CYT   6  33.257  -0.245  10.981
   59    H4*    C   6           H4'      CYT   6  32.071   1.734  10.753
   60    H3*    C   6           H3'      CYT   6  29.800  -0.068   9.981
   61   1H2*    C   6           H2'      CYT   6  28.824   1.517   8.626
   62   2HO*    C   6          OH2*      CYT   6  30.331   3.326  10.189
   63    H1*    C   6           H1'      CYT   6  31.152   2.709   7.683
   64   1H4     C   6           H41      CYT   6  30.293  -2.149   3.402
   65   2H4     C   6           H42      CYT   6  29.452  -0.773   2.722
   66    H5     C   6           H5       CYT   6  31.140  -2.194   5.656
   67    H6     C   6           H6       CYT   6  31.467  -0.892   7.707
   68   1H5*    U   7          1H5*      URI   7  26.194   2.805  10.795
   69   2H5*    U   7          2H5*      URI   7  27.847   2.996  10.141
   70    H4*    U   7           H4'      URI   7  26.304   3.293   8.319
   71    H3*    U   7           H3'      URI   7  25.053   0.822   9.458
   72   1H2*    U   7           H2'      URI   7  24.461   0.005   7.405
   73   2HO*    U   7          OH2*      URI   7  23.908   1.253   5.766
   74    H1*    U   7           H1'      URI   7  26.622   1.043   5.945
   75    H3     U   7           H3       URI   7  27.110  -3.358   5.222
   76    H5     U   7           H5       URI   7  27.561  -3.018   9.400
   77    H6     U   7           H6       URI   7  27.052  -0.653   9.194
   78   1H5*    C   8          1H5*      CYT   8  20.728   1.765   6.828
   79   2H5*    C   8          2H5*      CYT   8  22.387   2.276   6.421
   80    H4*    C   8           H4'      CYT   8  21.726   0.870   4.654
   81    H3*    C   8           H3'      CYT   8  20.562  -0.782   6.853
   82   1H2*    C   8           H2'      CYT   8  21.029  -2.763   5.830
   83   2HO*    C   8          OH2*      CYT   8  20.067  -2.118   3.821
   84    H1*    C   8           H1'      CYT   8  23.358  -1.943   4.479
   85   1H4     C   8           H41      CYT   8  24.722  -4.668  10.367
   86   2H4     C   8           H42      CYT   8  25.403  -5.724   9.150
   87    H5     C   8           H5       CYT   8  23.462  -2.674   9.832
   88    H6     C   8           H6       CYT   8  22.604  -1.271   8.021
   89   1H5*    C   9          1H5*      CYT   9  17.302  -2.659   4.654
   90   2H5*    C   9          2H5*      CYT   9  19.013  -2.967   5.071
   91    H4*    C   9           H4'      CYT   9  17.267  -4.876   5.366
   92    H3*    C   9           H3'      CYT   9  16.337  -2.897   7.264
   93   1H2*    C   9           H2'      CYT   9  16.822  -3.827   9.202
   94   2HO*    C   9          OH2*      CYT   9  15.508  -5.868   7.994
   95    H1*    C   9           H1'      CYT   9  18.465  -6.048   8.456
   96   1H4     C   9           H41      CYT   9  21.687  -1.195  11.631
   97   2H4     C   9           H42      CYT   9  22.056  -2.689  12.463
   98    H5     C   9           H5       CYT   9  20.213  -1.066   9.741
   99    H6     C   9           H6       CYT   9  18.818  -2.353   8.174
  100   1H5*    U  10          1H5*      URI  10  14.159  -4.206   4.957
  101   2H5*    U  10          2H5*      URI  10  12.570  -4.914   4.563
  102    H4*    U  10           H4'      URI  10  11.992  -2.987   3.615
  103    H3*    U  10           H3'      URI  10  14.727  -2.452   4.090
  104   1H2*    U  10           H2'      URI  10  14.534  -1.021   5.807
  105   2HO*    U  10          OH2*      URI  10  14.973   0.805   4.840
  106    H1*    U  10           H1'      URI  10  11.867  -0.023   5.000
  107    H3     U  10           H3       URI  10  11.604   2.153   8.909
  108    H5     U  10           H5       URI  10  13.750  -1.336   9.919
  109    H6     U  10           H6       URI  10  13.618  -2.018   7.584
  110   1H5*    C  11          1H5*      CYT  11  16.465  -3.187   1.200
  111   2H5*    C  11          2H5*      CYT  11  14.952  -3.058   2.144
  112    H4*    C  11           H4'      CYT  11  14.996  -4.740   0.204
  113    H3*    C  11           H3'      CYT  11  15.618  -2.329  -1.228
  114   1H2*    C  11           H2'      CYT  11  13.678  -1.707  -2.133
  115   2HO*    C  11          OH2*      CYT  11  12.701  -4.292  -2.567
  116    H1*    C  11           H1'      CYT  11  11.751  -3.475  -1.009
  117   1H4     C  11           H41      CYT  11  10.911   2.782   0.894
  118   2H4     C  11           H42      CYT  11  10.203   1.926   2.246
  119    H5     C  11           H5       CYT  11  10.351  -0.456   2.517
  120    H6     C  11           H6       CYT  11  11.291  -2.528   1.617
  121   1H5*    G  12          1H5*      GUA  12  18.192  -2.129  -4.480
  122   2H5*    G  12          2H5*      GUA  12  17.880  -1.671  -2.779
  123    H4*    G  12           H4'      GUA  12  20.211  -1.457  -3.048
  124    H3*    G  12           H3'      GUA  12  19.863  -3.682  -4.912
  125   1H2*    G  12           H2'      GUA  12  21.253  -5.178  -4.038
  126   2HO*    G  12          OH2*      GUA  12  23.364  -4.584  -3.426
  127    H1*    G  12           H1'      GUA  12  22.006  -3.878  -1.565
  128    H8     G  12           H8       GUA  12  20.012  -5.035   0.337
  129    H1     G  12           H1       GUA  12  20.326 -10.110  -3.498
  130   1H2     G  12           H21      GUA  12  21.183  -9.528  -5.456
  131   2H2     G  12           H22      GUA  12  21.686  -7.891  -5.814
  132   1H5*    C  13          1H5*      CYT  13  24.163  -2.295  -4.322
  133   2H5*    C  13          2H5*      CYT  13  25.016  -0.925  -5.096
  134    H4*    C  13           H4'      CYT  13  22.301  -0.136  -4.865
  135    H3*    C  13           H3'      CYT  13  24.888   0.547  -3.510
  136   1H2*    C  13           H2'      CYT  13  23.868   1.713  -1.829
  137   2HO*    C  13          OH2*      CYT  13  21.424   2.029  -2.123
  138    H1*    C  13           H1'      CYT  13  21.628   0.109  -1.526
  139   1H4     C  13           H41      CYT  13  26.626  -2.440   1.976
  140   2H4     C  13           H42      CYT  13  26.188  -1.010   2.882
  141    H5     C  13           H5       CYT  13  25.693  -2.973  -0.179
  142    H6     C  13           H6       CYT  13  24.069  -2.315  -1.885
  143   1H5*    G  14          1H5*      GUA  14  25.129   5.429  -5.107
  144   2H5*    G  14          2H5*      GUA  14  23.851   4.280  -4.728
  145    H4*    G  14           H4'      GUA  14  24.077   5.775  -2.863
  146    H3*    G  14           H3'      GUA  14  26.993   5.144  -3.178
  147   1H2*    G  14           H2'      GUA  14  27.362   5.301  -0.905
  148   2HO*    G  14          OH2*      GUA  14  25.013   6.859  -0.951
  149    H1*    G  14           H1'      GUA  14  24.914   4.287  -0.064
  150    H8     G  14           H8       GUA  14  26.399   1.953  -2.566
  151    H1     G  14           H1       GUA  14  28.960   1.298   3.229
  152   1H2     G  14           H21      GUA  14  28.524   3.088   4.462
  153   2H2     G  14           H22      GUA  14  27.590   4.438   3.858
  154   1H5*    G  15          1H5*      GUA  15  28.996   9.875  -2.004
  155   2H5*    G  15          2H5*      GUA  15  27.385   9.429  -1.453
  156    H4*    G  15           H4'      GUA  15  28.536   9.768   0.553
  157    H3*    G  15           H3'      GUA  15  30.863   8.581  -0.926
  158   1H2*    G  15           H2'      GUA  15  31.798   7.735   1.008
  159   2HO*    G  15          OH2*      GUA  15  30.069   9.572   2.314
  160    H1*    G  15           H1'      GUA  15  29.474   6.941   2.231
  161    H8     G  15           H8       GUA  15  29.443   6.060  -1.443
  162    H1     G  15           H1       GUA  15  32.509   1.796   2.167
  163   1H2     G  15           H21      GUA  15  32.556   4.319   4.564
  164   2H2     G  15           H22      GUA  15  33.006   2.684   4.132
  165   1H5*    U  16          1H5*      URI  16  34.644  11.698   0.954
  166   2H5*    U  16          2H5*      URI  16  33.141  11.467   1.839
  167    H4*    U  16           H4'      URI  16  34.762  10.665   3.324
  168    H3*    U  16           H3'      URI  16  36.072   9.657   0.824
  169   1H2*    U  16           H2'      URI  16  37.104   7.920   1.931
  170   2HO*    U  16          OH2*      URI  16  36.606   9.492   4.223
  171    H1*    U  16           H1'      URI  16  35.020   7.276   3.611
  172    H3     U  16           H3       URI  16  35.466   3.739   0.827
  173    H5     U  16           H5       URI  16  33.285   6.604  -1.366
  174    H6     U  16           H6       URI  16  33.821   8.227   0.343
  175   1H5*    G  17          1H5*      GUA  17  40.891  10.206   1.565
  176   2H5*    G  17          2H5*      GUA  17  39.756   9.985   2.885
  177    H4*    G  17           H4'      GUA  17  40.929   8.007   2.943
  178    H3*    G  17           H3'      GUA  17  41.026   8.220  -0.043
  179   1H2*    G  17           H2'      GUA  17  41.323   5.921  -0.210
  180   2HO*    G  17          OH2*      GUA  17  42.134   6.119   2.503
  181    H1*    G  17           H1'      GUA  17  39.715   5.231   1.965
  182    H8     G  17           H8       GUA  17  37.889   7.568  -0.284
  183    H1     G  17           H1       GUA  17  37.799   1.535  -2.358
  184   1H2     G  17           H21      GUA  17  40.465   1.075  -0.158
  185   2H2     G  17           H22      GUA  17  39.400   0.369  -1.351
  186   1H5*    C  18          1H5*      CYT  18  45.732   6.504  -0.817
  187   2H5*    C  18          2H5*      CYT  18  44.824   6.192   0.655
  188    H4*    C  18           H4'      CYT  18  44.952   4.074  -0.228
  189    H3*    C  18           H3'      CYT  18  44.824   5.438  -2.903
  190   1H2*    C  18           H2'      CYT  18  44.014   3.515  -3.889
  191   2HO*    C  18          OH2*      CYT  18  45.129   2.245  -1.615
  192    H1*    C  18           H1'      CYT  18  42.520   2.636  -1.693
  193   1H4     C  18           H41      CYT  18  38.241   6.144  -5.165
  194   2H4     C  18           H42      CYT  18  38.138   4.517  -5.803
  195    H5     C  18           H5       CYT  18  39.988   6.862  -3.652
  196    H6     C  18           H6       CYT  18  41.913   6.128  -2.318
  197   1H5*    C  19          1H5*      CYT  19  48.581   2.316  -5.066
  198   2H5*    C  19          2H5*      CYT  19  47.808   1.901  -3.537
  199    H4*    C  19           H4'      CYT  19  47.161   0.092  -4.842
  200    H3*    C  19           H3'      CYT  19  47.302   2.077  -7.072
  201   1H2*    C  19           H2'      CYT  19  45.695   1.056  -8.316
  202   2HO*    C  19          OH2*      CYT  19  46.280  -1.230  -6.737
  203    H1*    C  19           H1'      CYT  19  44.116   0.120  -6.245
  204   1H4     C  19           H41      CYT  19  41.701   6.083  -7.367
  205   2H4     C  19           H42      CYT  19  40.752   5.001  -8.362
  206    H5     C  19           H5       CYT  19  43.726   5.406  -6.247
  207    H6     C  19           H6       CYT  19  45.201   3.512  -5.736
  208    H3T    C  19           H3T      CYT  19  48.560  -0.211  -6.305
   
  Start of MODEL    3
    1   1H5*    G   1          1H5*      GUA   1  33.733   0.417 -14.856
    2   2H5*    G   1          2H5*      GUA   1  34.712   1.892 -14.734
    3    H4*    G   1           H4'      GUA   1  35.722  -0.604 -15.048
    4    H3*    G   1           H3'      GUA   1  35.230  -0.107 -12.144
    5   1H2*    G   1           H2'      GUA   1  37.273  -0.841 -11.528
    6   2HO*    G   1          OH2*      GUA   1  38.592  -2.130 -12.817
    7    H1*    G   1           H1'      GUA   1  38.705   0.020 -13.663
    8    H8     G   1           H8       GUA   1  36.670   2.915 -12.604
    9    H1     G   1           H1       GUA   1  41.910   2.146  -9.065
   10   1H2     G   1           H21      GUA   1  42.697   0.086  -9.298
   11   2H2     G   1           H22      GUA   1  41.932  -1.098 -10.335
   12    H5T    G   1           H5T      GUA   1  33.446   0.417 -12.693
   13   1H5*    G   2          1H5*      GUA   2  35.330  -4.916 -10.315
   14   2H5*    G   2          2H5*      GUA   2  36.124  -4.501 -11.831
   15    H4*    G   2           H4'      GUA   2  37.939  -5.057 -10.486
   16    H3*    G   2           H3'      GUA   2  36.284  -3.887  -8.266
   17   1H2*    G   2           H2'      GUA   2  38.147  -3.267  -7.056
   18   2HO*    G   2          OH2*      GUA   2  40.270  -4.034  -7.700
   19    H1*    G   2           H1'      GUA   2  39.748  -2.518  -9.181
   20    H8     G   2           H8       GUA   2  36.349  -1.038  -9.713
   21    H1     G   2           H1       GUA   2  39.918   2.286  -5.619
   22   1H2     G   2           H21      GUA   2  41.639   1.056  -4.950
   23   2H2     G   2           H22      GUA   2  41.902  -0.578  -5.515
   24   1H5*    C   3          1H5*      CYT   3  37.560  -7.248  -4.464
   25   2H5*    C   3          2H5*      CYT   3  38.598  -7.030  -5.865
   26    H4*    C   3           H4'      CYT   3  39.995  -6.302  -4.178
   27    H3*    C   3           H3'      CYT   3  37.461  -5.380  -2.861
   28   1H2*    C   3           H2'      CYT   3  38.568  -3.748  -1.666
   29   2HO*    C   3          OH2*      CYT   3  40.845  -5.337  -2.182
   30    H1*    C   3           H1'      CYT   3  40.448  -3.092  -3.605
   31   1H4     C   3           H41      CYT   3  36.444   1.771  -3.818
   32   2H4     C   3           H42      CYT   3  35.455   0.894  -4.964
   33    H5     C   3           H5       CYT   3  35.727  -1.450  -5.417
   34    H6     C   3           H6       CYT   3  37.150  -3.415  -5.046
   35   1H5*    A   4          1H5*      ADE   4  38.355  -6.767   2.046
   36   2H5*    A   4          2H5*      ADE   4  39.690  -6.528   0.929
   37    H4*    A   4           H4'      ADE   4  40.078  -4.894   2.540
   38    H3*    A   4           H3'      ADE   4  37.094  -4.608   2.591
   39   1H2*    A   4           H2'      ADE   4  37.268  -2.425   3.351
   40   2HO*    A   4          OH2*      ADE   4  39.438  -1.640   4.010
   41    H1*    A   4           H1'      ADE   4  39.586  -1.782   1.927
   42    H8     A   4           H8       ADE   4  36.942  -3.265  -0.319
   43   1H6     A   4           H61      ADE   4  34.816   2.481  -0.960
   44   2H6     A   4           H62      ADE   4  34.809   0.866  -1.633
   45    H2     A   4           H2       ADE   4  37.670   2.437   2.507
   46   1H5*    C   5          1H5*      CYT   5  36.129  -4.094   7.593
   47   2H5*    C   5          2H5*      CYT   5  37.723  -3.731   6.944
   48    H4*    C   5           H4'      CYT   5  37.042  -1.646   7.678
   49    H3*    C   5           H3'      CYT   5  34.296  -2.561   6.885
   50   1H2*    C   5           H2'      CYT   5  33.586  -0.389   6.526
   51   2HO*    C   5          OH2*      CYT   5  35.773   0.278   8.191
   52    H1*    C   5           H1'      CYT   5  35.988   0.616   5.540
   53   1H4     C   5           H41      CYT   5  32.458   0.080   0.336
   54   2H4     C   5           H42      CYT   5  32.976  -1.581   0.166
   55    H5     C   5           H5       CYT   5  34.148  -2.783   1.895
   56    H6     C   5           H6       CYT   5  35.212  -2.601   4.095
   57   1H5*    C   6          1H5*      CYT   6  31.584  -0.806  11.035
   58   2H5*    C   6          2H5*      CYT   6  33.162  -0.125  10.659
   59    H4*    C   6           H4'      CYT   6  31.796   1.732  10.380
   60    H3*    C   6           H3'      CYT   6  29.755  -0.286   9.515
   61   1H2*    C   6           H2'      CYT   6  28.692   1.185   8.103
   62   2HO*    C   6          OH2*      CYT   6  29.904   3.142   9.739
   63    H1*    C   6           H1'      CYT   6  30.928   2.629   7.280
   64   1H4     C   6           H41      CYT   6  30.834  -2.257   2.957
   65   2H4     C   6           H42      CYT   6  29.903  -0.969   2.226
   66    H5     C   6           H5       CYT   6  31.532  -2.239   5.259
   67    H6     C   6           H6       CYT   6  31.610  -0.916   7.321
   68   1H5*    U   7          1H5*      URI   7  26.063   2.508  11.448
   69   2H5*    U   7          2H5*      URI   7  27.634   2.686  10.611
   70    H4*    U   7           H4'      URI   7  25.795   3.459   9.181
   71    H3*    U   7           H3'      URI   7  24.738   0.740   9.839
   72   1H2*    U   7           H2'      URI   7  23.890   0.402   7.748
   73   2HO*    U   7          OH2*      URI   7  24.260   2.989   6.792
   74    H1*    U   7           H1'      URI   7  25.813   1.857   6.312
   75    H3     U   7           H3       URI   7  26.232  -2.227   4.490
   76    H5     U   7           H5       URI   7  27.346  -2.843   8.508
   77    H6     U   7           H6       URI   7  26.745  -0.533   8.957
   78   1H5*    C   8          1H5*      CYT   8  20.377   2.057   7.935
   79   2H5*    C   8          2H5*      CYT   8  22.101   2.458   7.696
   80    H4*    C   8           H4'      CYT   8  21.361   1.347   5.722
   81    H3*    C   8           H3'      CYT   8  20.121  -0.522   7.687
   82   1H2*    C   8           H2'      CYT   8  20.549  -2.381   6.435
   83   2HO*    C   8          OH2*      CYT   8  21.307  -1.004   4.119
   84    H1*    C   8           H1'      CYT   8  22.927  -1.487   5.232
   85   1H4     C   8           H41      CYT   8  24.229  -4.846  10.802
   86   2H4     C   8           H42      CYT   8  24.809  -5.829   9.476
   87    H5     C   8           H5       CYT   8  23.080  -2.749  10.487
   88    H6     C   8           H6       CYT   8  22.246  -1.144   8.837
   89   1H5*    C   9          1H5*      CYT   9  17.115  -2.387   4.946
   90   2H5*    C   9          2H5*      CYT   9  18.819  -2.861   5.218
   91    H4*    C   9           H4'      CYT   9  17.198  -4.765   5.316
   92    H3*    C   9           H3'      CYT   9  15.897  -2.948   7.181
   93   1H2*    C   9           H2'      CYT   9  16.043  -4.120   9.088
   94   2HO*    C   9          OH2*      CYT   9  15.168  -6.045   9.147
   95    H1*    C   9           H1'      CYT   9  17.928  -6.143   8.460
   96   1H4     C   9           H41      CYT   9  20.269  -1.438  12.521
   97   2H4     C   9           H42      CYT   9  20.550  -2.984  13.290
   98    H5     C   9           H5       CYT   9  19.172  -1.208  10.386
   99    H6     C   9           H6       CYT   9  18.146  -2.406   8.503
  100   1H5*    U  10          1H5*      URI  10  11.618  -5.974   5.269
  101   2H5*    U  10          2H5*      URI  10  12.280  -4.904   6.540
  102    H4*    U  10           H4'      URI  10   9.921  -4.556   4.899
  103    H3*    U  10           H3'      URI  10  12.066  -3.068   3.891
  104   1H2*    U  10           H2'      URI  10  12.366  -1.615   5.583
  105   2HO*    U  10          OH2*      URI  10  10.186  -0.086   5.281
  106    H1*    U  10           H1'      URI  10   9.536  -1.561   6.491
  107    H3     U  10           H3       URI  10  10.912   0.591  10.188
  108    H5     U  10           H5       URI  10  14.084  -2.081   9.421
  109    H6     U  10           H6       URI  10  12.889  -2.830   7.434
  110   1H5*    C  11          1H5*      CYT  11  12.961  -0.681   1.264
  111   2H5*    C  11          2H5*      CYT  11  13.091  -1.484   2.859
  112    H4*    C  11           H4'      CYT  11  15.073  -2.079   1.698
  113    H3*    C  11           H3'      CYT  11  13.444  -1.765  -0.636
  114   1H2*    C  11           H2'      CYT  11  13.164  -3.838  -1.458
  115   2HO*    C  11          OH2*      CYT  11  14.889  -5.321  -1.533
  116    H1*    C  11           H1'      CYT  11  13.904  -5.583   0.571
  117   1H4     C  11           H41      CYT  11   7.358  -4.688   0.220
  118   2H4     C  11           H42      CYT  11   7.528  -5.226   1.876
  119    H5     C  11           H5       CYT  11   9.658  -5.512   2.954
  120    H6     C  11           H6       CYT  11  12.086  -5.283   2.711
  121   1H5*    G  12          1H5*      GUA  12  17.518  -1.916  -4.756
  122   2H5*    G  12          2H5*      GUA  12  17.192  -0.319  -4.019
  123    H4*    G  12           H4'      GUA  12  19.545  -0.447  -4.185
  124    H3*    G  12           H3'      GUA  12  19.096  -3.277  -3.903
  125   1H2*    G  12           H2'      GUA  12  20.056  -3.781  -1.958
  126   2HO*    G  12          OH2*      GUA  12  22.161  -3.115  -1.507
  127    H1*    G  12           H1'      GUA  12  20.765  -1.264  -0.849
  128    H8     G  12           H8       GUA  12  18.301  -0.440   0.604
  129    H1     G  12           H1       GUA  12  17.223  -6.704   1.020
  130   1H2     G  12           H21      GUA  12  18.469  -7.789  -0.453
  131   2H2     G  12           H22      GUA  12  19.572  -6.971  -1.538
  132   1H5*    C  13          1H5*      CYT  13  24.763  -2.228  -3.756
  133   2H5*    C  13          2H5*      CYT  13  24.366  -2.513  -5.478
  134    H4*    C  13           H4'      CYT  13  22.568  -0.933  -5.414
  135    H3*    C  13           H3'      CYT  13  25.078  -0.073  -4.027
  136   1H2*    C  13           H2'      CYT  13  24.209   1.939  -3.374
  137   2HO*    C  13          OH2*      CYT  13  21.810   1.967  -4.649
  138    H1*    C  13           H1'      CYT  13  21.582   1.117  -2.945
  139   1H4     C  13           H41      CYT  13  25.029   0.208   2.616
  140   2H4     C  13           H42      CYT  13  24.848   1.947   2.534
  141    H5     C  13           H5       CYT  13  24.378  -1.271   0.826
  142    H6     C  13           H6       CYT  13  23.320  -1.415  -1.379
  143   1H5*    G  14          1H5*      GUA  14  25.963   4.323  -5.657
  144   2H5*    G  14          2H5*      GUA  14  24.364   3.603  -5.511
  145    H4*    G  14           H4'      GUA  14  24.354   5.048  -3.697
  146    H3*    G  14           H3'      GUA  14  27.309   4.504  -3.619
  147   1H2*    G  14           H2'      GUA  14  27.452   4.911  -1.359
  148   2HO*    G  14          OH2*      GUA  14  24.929   6.176  -1.698
  149    H1*    G  14           H1'      GUA  14  25.104   3.718  -0.608
  150    H8     G  14           H8       GUA  14  26.813   1.584  -3.171
  151    H1     G  14           H1       GUA  14  29.261   0.903   2.665
  152   1H2     G  14           H21      GUA  14  28.616   2.577   3.959
  153   2H2     G  14           H22      GUA  14  27.570   3.857   3.387
  154   1H5*    G  15          1H5*      GUA  15  29.094   9.402  -2.851
  155   2H5*    G  15          2H5*      GUA  15  27.471   8.964  -2.327
  156    H4*    G  15           H4'      GUA  15  28.510   9.565  -0.322
  157    H3*    G  15           H3'      GUA  15  30.948   8.314  -1.556
  158   1H2*    G  15           H2'      GUA  15  31.820   7.708   0.493
  159   2HO*    G  15          OH2*      GUA  15  29.889   9.511   1.575
  160    H1*    G  15           H1'      GUA  15  29.478   6.912   1.668
  161    H8     G  15           H8       GUA  15  29.574   5.760  -1.923
  162    H1     G  15           H1       GUA  15  32.775   1.933   2.037
  163   1H2     G  15           H21      GUA  15  32.586   4.594   4.275
  164   2H2     G  15           H22      GUA  15  33.146   2.967   3.962
  165   1H5*    U  16          1H5*      URI  16  34.584  11.642   0.104
  166   2H5*    U  16          2H5*      URI  16  33.071  11.430   0.980
  167    H4*    U  16           H4'      URI  16  34.666  10.714   2.532
  168    H3*    U  16           H3'      URI  16  36.069   9.655   0.101
  169   1H2*    U  16           H2'      URI  16  37.106   7.977   1.296
  170   2HO*    U  16          OH2*      URI  16  36.952   7.962   3.650
  171    H1*    U  16           H1'      URI  16  34.996   7.342   2.937
  172    H3     U  16           H3       URI  16  35.641   3.739   0.271
  173    H5     U  16           H5       URI  16  33.413   6.455  -2.057
  174    H6     U  16           H6       URI  16  33.836   8.143  -0.379
  175   1H5*    G  17          1H5*      GUA  17  40.909  10.412   1.124
  176   2H5*    G  17          2H5*      GUA  17  39.715  10.232   2.399
  177    H4*    G  17           H4'      GUA  17  40.981   8.324   2.674
  178    H3*    G  17           H3'      GUA  17  41.256   8.364  -0.309
  179   1H2*    G  17           H2'      GUA  17  41.680   6.079  -0.335
  180   2HO*    G  17          OH2*      GUA  17  42.093   4.953   1.683
  181    H1*    G  17           H1'      GUA  17  39.960   5.401   1.741
  182    H8     G  17           H8       GUA  17  38.232   7.606  -0.727
  183    H1     G  17           H1       GUA  17  38.403   1.489  -2.525
  184   1H2     G  17           H21      GUA  17  40.948   1.191  -0.159
  185   2H2     G  17           H22      GUA  17  39.969   0.406  -1.380
  186   1H5*    C  18          1H5*      CYT  18  46.047   6.990  -0.933
  187   2H5*    C  18          2H5*      CYT  18  45.151   6.631   0.534
  188    H4*    C  18           H4'      CYT  18  45.455   4.522  -0.325
  189    H3*    C  18           H3'      CYT  18  45.182   5.808  -3.032
  190   1H2*    C  18           H2'      CYT  18  44.648   3.744  -3.942
  191   2HO*    C  18          OH2*      CYT  18  45.835   2.731  -1.567
  192    H1*    C  18           H1'      CYT  18  43.182   2.834  -1.746
  193   1H4     C  18           H41      CYT  18  38.750   5.831  -5.505
  194   2H4     C  18           H42      CYT  18  38.800   4.175  -6.068
  195    H5     C  18           H5       CYT  18  40.389   6.754  -3.979
  196    H6     C  18           H6       CYT  18  42.306   6.236  -2.541
  197   1H5*    C  19          1H5*      CYT  19  49.323   3.077  -4.961
  198   2H5*    C  19          2H5*      CYT  19  48.552   2.683  -3.426
  199    H4*    C  19           H4'      CYT  19  48.183   0.715  -4.605
  200    H3*    C  19           H3'      CYT  19  48.151   2.539  -6.976
  201   1H2*    C  19           H2'      CYT  19  46.716   1.248  -8.174
  202   2HO*    C  19          OH2*      CYT  19  47.460  -0.827  -6.377
  203    H1*    C  19           H1'      CYT  19  45.142   0.348  -6.105
  204   1H4     C  19           H41      CYT  19  42.424   6.084  -7.672
  205   2H4     C  19           H42      CYT  19  41.586   4.888  -8.635
  206    H5     C  19           H5       CYT  19  44.420   5.598  -6.406
  207    H6     C  19           H6       CYT  19  45.993   3.823  -5.741
  208    H3T    C  19           H3T      CYT  19  49.895   0.928  -6.107
   
  Start of MODEL    4
    1   1H5*    G   1          1H5*      GUA   1  31.992   0.894 -14.420
    2   2H5*    G   1          2H5*      GUA   1  33.023   2.328 -14.256
    3    H4*    G   1           H4'      GUA   1  33.929  -0.179 -14.750
    4    H3*    G   1           H3'      GUA   1  33.593   0.179 -11.805
    5   1H2*    G   1           H2'      GUA   1  35.625  -0.653 -11.324
    6   2HO*    G   1          OH2*      GUA   1  35.298  -2.012 -13.700
    7    H1*    G   1           H1'      GUA   1  36.994   0.285 -13.478
    8    H8     G   1           H8       GUA   1  35.106   3.188 -12.205
    9    H1     G   1           H1       GUA   1  40.460   2.084  -8.936
   10   1H2     G   1           H21      GUA   1  41.151   0.012  -9.281
   11   2H2     G   1           H22      GUA   1  40.299  -1.102 -10.327
   12    H5T    G   1           H5T      GUA   1  31.978   0.721 -12.167
   13   1H5*    G   2          1H5*      GUA   2  33.661  -4.593 -10.092
   14   2H5*    G   2          2H5*      GUA   2  34.386  -4.192 -11.640
   15    H4*    G   2           H4'      GUA   2  36.251  -4.781 -10.410
   16    H3*    G   2           H3'      GUA   2  34.732  -3.657  -8.080
   17   1H2*    G   2           H2'      GUA   2  36.670  -3.164  -6.934
   18   2HO*    G   2          OH2*      GUA   2  38.711  -4.041  -7.614
   19    H1*    G   2           H1'      GUA   2  38.228  -2.481  -9.138
   20    H8     G   2           H8       GUA   2  35.002  -0.623  -9.361
   21    H1     G   2           H1       GUA   2  39.156   2.013  -5.303
   22   1H2     G   2           H21      GUA   2  40.733   0.542  -4.772
   23   2H2     G   2           H22      GUA   2  40.757  -1.081  -5.425
   24   1H5*    C   3          1H5*      CYT   3  36.287  -6.909  -4.431
   25   2H5*    C   3          2H5*      CYT   3  37.192  -6.666  -5.917
   26    H4*    C   3           H4'      CYT   3  38.684  -5.822  -4.379
   27    H3*    C   3           H3'      CYT   3  36.241  -4.999  -2.838
   28   1H2*    C   3           H2'      CYT   3  37.420  -3.332  -1.755
   29   2HO*    C   3          OH2*      CYT   3  39.769  -3.294  -1.881
   30    H1*    C   3           H1'      CYT   3  39.150  -2.725  -3.866
   31   1H4     C   3           H41      CYT   3  35.481   2.376  -3.477
   32   2H4     C   3           H42      CYT   3  34.341   1.629  -4.576
   33    H5     C   3           H5       CYT   3  34.428  -0.711  -5.182
   34    H6     C   3           H6       CYT   3  35.725  -2.787  -5.002
   35   1H5*    A   4          1H5*      ADE   4  37.755  -6.930   1.897
   36   2H5*    A   4          2H5*      ADE   4  38.955  -6.601   0.656
   37    H4*    A   4           H4'      ADE   4  39.645  -5.303   2.496
   38    H3*    A   4           H3'      ADE   4  36.717  -4.789   2.796
   39   1H2*    A   4           H2'      ADE   4  37.073  -2.710   3.758
   40   2HO*    A   4          OH2*      ADE   4  39.730  -3.648   4.182
   41    H1*    A   4           H1'      ADE   4  39.290  -2.005   2.239
   42    H8     A   4           H8       ADE   4  36.465  -3.366   0.129
   43   1H6     A   4           H61      ADE   4  34.522   2.456  -0.325
   44   2H6     A   4           H62      ADE   4  34.410   0.849  -1.005
   45    H2     A   4           H2       ADE   4  37.572   2.264   2.968
   46   1H5*    C   5          1H5*      CYT   5  36.021  -4.619   7.809
   47   2H5*    C   5          2H5*      CYT   5  37.590  -4.266   7.100
   48    H4*    C   5           H4'      CYT   5  37.000  -2.207   7.979
   49    H3*    C   5           H3'      CYT   5  34.195  -2.991   7.254
   50   1H2*    C   5           H2'      CYT   5  33.548  -0.773   7.057
   51   2HO*    C   5          OH2*      CYT   5  35.895  -0.242   8.570
   52    H1*    C   5           H1'      CYT   5  35.931   0.200   6.007
   53   1H4     C   5           H41      CYT   5  32.184  -0.001   0.937
   54   2H4     C   5           H42      CYT   5  32.621  -1.676   0.692
   55    H5     C   5           H5       CYT   5  33.796  -2.984   2.329
   56    H6     C   5           H6       CYT   5  34.960  -2.925   4.489
   57   1H5*    C   6          1H5*      CYT   6  31.748  -0.819  11.279
   58   2H5*    C   6          2H5*      CYT   6  33.370  -0.323  10.808
   59    H4*    C   6           H4'      CYT   6  32.184   1.609  10.346
   60    H3*    C   6           H3'      CYT   6  29.917  -0.268   9.762
   61   1H2*    C   6           H2'      CYT   6  28.928   1.213   8.290
   62   2HO*    C   6          OH2*      CYT   6  29.795   3.440   8.177
   63    H1*    C   6           H1'      CYT   6  31.258   2.279   7.217
   64   1H4     C   6           H41      CYT   6  30.181  -2.922   3.406
   65   2H4     C   6           H42      CYT   6  29.348  -1.592   2.631
   66    H5     C   6           H5       CYT   6  31.084  -2.792   5.640
   67    H6     C   6           H6       CYT   6  31.506  -1.318   7.553
   68   1H5*    U   7          1H5*      URI   7  26.441   2.913  10.952
   69   2H5*    U   7          2H5*      URI   7  28.062   2.989  10.205
   70    H4*    U   7           H4'      URI   7  26.241   3.612   8.630
   71    H3*    U   7           H3'      URI   7  25.321   0.854   9.345
   72   1H2*    U   7           H2'      URI   7  24.671   0.377   7.197
   73   2HO*    U   7          OH2*      URI   7  24.489   3.185   6.961
   74    H1*    U   7           H1'      URI   7  26.587   1.965   5.871
   75    H3     U   7           H3       URI   7  27.611  -1.993   4.070
   76    H5     U   7           H5       URI   7  28.117  -2.686   8.198
   77    H6     U   7           H6       URI   7  27.341  -0.421   8.604
   78   1H5*    C   8          1H5*      CYT   8  21.011   2.356   7.237
   79   2H5*    C   8          2H5*      CYT   8  22.785   2.548   7.131
   80    H4*    C   8           H4'      CYT   8  21.862   1.570   5.076
   81    H3*    C   8           H3'      CYT   8  20.769  -0.369   7.064
   82   1H2*    C   8           H2'      CYT   8  21.188  -2.195   5.765
   83   2HO*    C   8          OH2*      CYT   8  21.851  -0.842   3.428
   84    H1*    C   8           H1'      CYT   8  23.484  -1.218   4.470
   85   1H4     C   8           H41      CYT   8  25.083  -4.634   9.923
   86   2H4     C   8           H42      CYT   8  25.750  -5.510   8.563
   87    H5     C   8           H5       CYT   8  23.764  -2.635   9.690
   88    H6     C   8           H6       CYT   8  22.805  -1.035   8.104
   89   1H5*    C   9          1H5*      CYT   9  17.570  -2.131   4.564
   90   2H5*    C   9          2H5*      CYT   9  19.298  -2.551   4.760
   91    H4*    C   9           H4'      CYT   9  17.755  -4.519   4.881
   92    H3*    C   9           H3'      CYT   9  16.495  -2.778   6.844
   93   1H2*    C   9           H2'      CYT   9  16.677  -3.962   8.689
   94   2HO*    C   9          OH2*      CYT   9  16.729  -6.445   8.358
   95    H1*    C   9           H1'      CYT   9  18.627  -5.915   7.986
   96   1H4     C   9           H41      CYT   9  21.020  -1.199  11.992
   97   2H4     C   9           H42      CYT   9  21.251  -2.735  12.798
   98    H5     C   9           H5       CYT   9  19.941  -0.986   9.847
   99    H6     C   9           H6       CYT   9  18.875  -2.198   7.996
  100   1H5*    U  10          1H5*      URI  10  14.312  -3.952   3.955
  101   2H5*    U  10          2H5*      URI  10  12.564  -4.303   3.844
  102    H4*    U  10           H4'      URI  10  12.513  -2.387   2.644
  103    H3*    U  10           H3'      URI  10  15.212  -2.183   3.330
  104   1H2*    U  10           H2'      URI  10  15.046  -0.893   5.166
  105   2HO*    U  10          OH2*      URI  10  15.670   1.051   4.551
  106    H1*    U  10           H1'      URI  10  12.648   0.583   4.254
  107    H3     U  10           H3       URI  10  12.332   2.341   8.378
  108    H5     U  10           H5       URI  10  13.775  -1.552   9.123
  109    H6     U  10           H6       URI  10  13.768  -1.947   6.722
  110   1H5*    C  11          1H5*      CYT  11  17.110  -2.719   0.579
  111   2H5*    C  11          2H5*      CYT  11  15.450  -2.584   1.240
  112    H4*    C  11           H4'      CYT  11  15.957  -4.038  -0.927
  113    H3*    C  11           H3'      CYT  11  16.582  -1.458  -1.875
  114   1H2*    C  11           H2'      CYT  11  14.653  -0.553  -2.535
  115   2HO*    C  11          OH2*      CYT  11  14.600  -1.395  -4.494
  116    H1*    C  11           H1'      CYT  11  12.680  -2.589  -2.137
  117   1H4     C  11           H41      CYT  11  11.689   2.803   1.568
  118   2H4     C  11           H42      CYT  11  10.945   1.575   2.568
  119    H5     C  11           H5       CYT  11  11.082  -0.777   2.086
  120    H6     C  11           H6       CYT  11  12.021  -2.469   0.590
  121   1H5*    G  12          1H5*      GUA  12  19.428  -4.410  -3.349
  122   2H5*    G  12          2H5*      GUA  12  20.296  -3.316  -4.473
  123    H4*    G  12           H4'      GUA  12  21.109  -2.136  -2.308
  124    H3*    G  12           H3'      GUA  12  22.157  -4.275  -3.851
  125   1H2*    G  12           H2'      GUA  12  22.454  -5.962  -2.415
  126   2HO*    G  12          OH2*      GUA  12  23.624  -5.363  -0.353
  127    H1*    G  12           H1'      GUA  12  21.668  -4.924   0.122
  128    H8     G  12           H8       GUA  12  18.727  -5.498   0.105
  129    H1     G  12           H1       GUA  12  20.442 -10.433  -3.542
  130   1H2     G  12           H21      GUA  12  22.481 -10.097  -4.349
  131   2H2     G  12           H22      GUA  12  23.412  -8.661  -3.982
  132   1H5*    C  13          1H5*      CYT  13  22.238  -0.596  -5.556
  133   2H5*    C  13          2H5*      CYT  13  21.902  -1.822  -4.300
  134    H4*    C  13           H4'      CYT  13  21.312   0.769  -3.976
  135    H3*    C  13           H3'      CYT  13  24.215   0.464  -3.284
  136   1H2*    C  13           H2'      CYT  13  24.001   1.836  -1.441
  137   2HO*    C  13          OH2*      CYT  13  22.589   3.337  -2.775
  138    H1*    C  13           H1'      CYT  13  21.488   0.967  -0.640
  139   1H4     C  13           H41      CYT  13  26.252  -2.956   1.802
  140   2H4     C  13           H42      CYT  13  26.492  -1.459   2.673
  141    H5     C  13           H5       CYT  13  24.693  -3.186  -0.012
  142    H6     C  13           H6       CYT  13  22.947  -2.086  -1.309
  143   1H5*    G  14          1H5*      GUA  14  24.662   5.519  -4.876
  144   2H5*    G  14          2H5*      GUA  14  23.486   4.264  -4.490
  145    H4*    G  14           H4'      GUA  14  23.899   5.628  -2.529
  146    H3*    G  14           H3'      GUA  14  26.755   4.944  -3.144
  147   1H2*    G  14           H2'      GUA  14  27.293   4.866  -0.901
  148   2HO*    G  14          OH2*      GUA  14  25.912   5.801   0.694
  149    H1*    G  14           H1'      GUA  14  24.806   3.966   0.025
  150    H8     G  14           H8       GUA  14  26.069   1.554  -2.521
  151    H1     G  14           H1       GUA  14  28.873   0.859   3.159
  152   1H2     G  14           H21      GUA  14  28.584   2.695   4.373
  153   2H2     G  14           H22      GUA  14  27.692   4.079   3.783
  154   1H5*    G  15          1H5*      GUA  15  28.886   9.675  -1.789
  155   2H5*    G  15          2H5*      GUA  15  27.292   9.225  -1.197
  156    H4*    G  15           H4'      GUA  15  28.495   9.545   0.778
  157    H3*    G  15           H3'      GUA  15  30.789   8.372  -0.766
  158   1H2*    G  15           H2'      GUA  15  31.772   7.519   1.143
  159   2HO*    G  15          OH2*      GUA  15  30.074   9.352   2.489
  160    H1*    G  15           H1'      GUA  15  29.474   6.722   2.419
  161    H8     G  15           H8       GUA  15  29.350   5.823  -1.242
  162    H1     G  15           H1       GUA  15  32.523   1.588   2.309
  163   1H2     G  15           H21      GUA  15  32.618   4.123   4.696
  164   2H2     G  15           H22      GUA  15  33.063   2.489   4.259
  165   1H5*    U  16          1H5*      URI  16  34.574  11.630   0.968
  166   2H5*    U  16          2H5*      URI  16  33.107  11.390   1.906
  167    H4*    U  16           H4'      URI  16  34.801  10.699   3.372
  168    H3*    U  16           H3'      URI  16  36.064   9.620   0.876
  169   1H2*    U  16           H2'      URI  16  37.157   7.938   2.015
  170   2HO*    U  16          OH2*      URI  16  36.733   9.614   4.233
  171    H1*    U  16           H1'      URI  16  35.136   7.300   3.757
  172    H3     U  16           H3       URI  16  35.532   3.720   1.013
  173    H5     U  16           H5       URI  16  33.226   6.514  -1.140
  174    H6     U  16           H6       URI  16  33.797   8.173   0.526
  175   1H5*    G  17          1H5*      GUA  17  40.926  10.202   1.480
  176   2H5*    G  17          2H5*      GUA  17  39.830  10.048   2.846
  177    H4*    G  17           H4'      GUA  17  40.962   8.039   2.937
  178    H3*    G  17           H3'      GUA  17  41.035   8.234  -0.050
  179   1H2*    G  17           H2'      GUA  17  41.163   5.932  -0.272
  180   2HO*    G  17          OH2*      GUA  17  41.609   4.591   1.580
  181    H1*    G  17           H1'      GUA  17  39.526   5.268   1.862
  182    H8     G  17           H8       GUA  17  37.877   7.906  -0.214
  183    H1     G  17           H1       GUA  17  37.198   2.018  -2.574
  184   1H2     G  17           H21      GUA  17  39.870   1.225  -0.480
  185   2H2     G  17           H22      GUA  17  38.715   0.670  -1.671
  186   1H5*    C  18          1H5*      CYT  18  45.617   6.128  -0.881
  187   2H5*    C  18          2H5*      CYT  18  44.715   5.874   0.604
  188    H4*    C  18           H4'      CYT  18  44.703   3.748  -0.274
  189    H3*    C  18           H3'      CYT  18  44.617   5.099  -2.956
  190   1H2*    C  18           H2'      CYT  18  43.690   3.218  -3.916
  191   2HO*    C  18          OH2*      CYT  18  43.658   1.193  -2.710
  192    H1*    C  18           H1'      CYT  18  42.189   2.431  -1.685
  193   1H4     C  18           H41      CYT  18  37.996   6.081  -5.093
  194   2H4     C  18           H42      CYT  18  37.810   4.456  -5.718
  195    H5     C  18           H5       CYT  18  39.811   6.738  -3.639
  196    H6     C  18           H6       CYT  18  41.744   5.938  -2.356
  197   1H5*    C  19          1H5*      CYT  19  48.276   1.831  -5.120
  198   2H5*    C  19          2H5*      CYT  19  47.498   1.433  -3.590
  199    H4*    C  19           H4'      CYT  19  46.847  -0.377  -4.897
  200    H3*    C  19           H3'      CYT  19  46.960   1.619  -7.119
  201   1H2*    C  19           H2'      CYT  19  45.340   0.600  -8.347
  202   2HO*    C  19          OH2*      CYT  19  44.611  -1.602  -7.586
  203    H1*    C  19           H1'      CYT  19  43.781  -0.335  -6.262
  204   1H4     C  19           H41      CYT  19  41.418   5.664  -7.359
  205   2H4     C  19           H42      CYT  19  40.445   4.593  -8.343
  206    H5     C  19           H5       CYT  19  43.438   4.961  -6.245
  207    H6     C  19           H6       CYT  19  44.895   3.049  -5.748
  208    H3T    C  19           H3T      CYT  19  48.584   0.337  -7.568
   
  Start of MODEL    5
    1   1H5*    G   1          1H5*      GUA   1  32.715   0.728 -14.829
    2   2H5*    G   1          2H5*      GUA   1  33.675   2.206 -14.617
    3    H4*    G   1           H4'      GUA   1  34.698  -0.252 -15.154
    4    H3*    G   1           H3'      GUA   1  34.334   0.047 -12.205
    5   1H2*    G   1           H2'      GUA   1  36.406  -0.718 -11.735
    6   2HO*    G   1          OH2*      GUA   1  37.662  -1.905 -13.171
    7    H1*    G   1           H1'      GUA   1  37.735   0.335 -13.861
    8    H8     G   1           H8       GUA   1  35.691   3.112 -12.564
    9    H1     G   1           H1       GUA   1  41.102   2.287  -9.311
   10   1H2     G   1           H21      GUA   1  41.911   0.257  -9.671
   11   2H2     G   1           H22      GUA   1  41.122  -0.894 -10.725
   12    H5T    G   1           H5T      GUA   1  32.671   0.498 -12.594
   13   1H5*    G   2          1H5*      GUA   2  34.702  -4.674 -10.529
   14   2H5*    G   2          2H5*      GUA   2  35.406  -4.199 -12.066
   15    H4*    G   2           H4'      GUA   2  37.301  -4.622 -10.806
   16    H3*    G   2           H3'      GUA   2  35.656  -3.630  -8.502
   17   1H2*    G   2           H2'      GUA   2  37.529  -2.952  -7.336
   18   2HO*    G   2          OH2*      GUA   2  39.654  -3.628  -8.024
   19    H1*    G   2           H1'      GUA   2  39.036  -2.127  -9.523
   20    H8     G   2           H8       GUA   2  35.646  -0.594  -9.807
   21    H1     G   2           H1       GUA   2  39.456   2.441  -5.686
   22   1H2     G   2           H21      GUA   2  41.176   1.140  -5.161
   23   2H2     G   2           H22      GUA   2  41.378  -0.466  -5.826
   24   1H5*    C   3          1H5*      CYT   3  37.277  -6.944  -4.840
   25   2H5*    C   3          2H5*      CYT   3  38.236  -6.646  -6.283
   26    H4*    C   3           H4'      CYT   3  39.656  -5.861  -4.637
   27    H3*    C   3           H3'      CYT   3  37.134  -5.054  -3.221
   28   1H2*    C   3           H2'      CYT   3  38.251  -3.422  -2.031
   29   2HO*    C   3          OH2*      CYT   3  40.518  -4.985  -2.632
   30    H1*    C   3           H1'      CYT   3  40.048  -2.712  -4.038
   31   1H4     C   3           H41      CYT   3  36.100   2.196  -3.875
   32   2H4     C   3           H42      CYT   3  35.048   1.375  -5.009
   33    H5     C   3           H5       CYT   3  35.277  -0.962  -5.574
   34    H6     C   3           H6       CYT   3  36.682  -2.961  -5.326
   35   1H5*    A   4          1H5*      ADE   4  38.215  -6.909   1.571
   36   2H5*    A   4          2H5*      ADE   4  39.516  -6.562   0.442
   37    H4*    A   4           H4'      ADE   4  39.986  -5.180   2.274
   38    H3*    A   4           H3'      ADE   4  37.021  -4.771   2.346
   39   1H2*    A   4           H2'      ADE   4  37.256  -2.673   3.306
   40   2HO*    A   4          OH2*      ADE   4  39.542  -2.060   3.953
   41    H1*    A   4           H1'      ADE   4  39.576  -1.943   1.949
   42    H8     A   4           H8       ADE   4  36.922  -3.294  -0.375
   43   1H6     A   4           H61      ADE   4  34.889   2.498  -0.818
   44   2H6     A   4           H62      ADE   4  34.855   0.906  -1.543
   45    H2     A   4           H2       ADE   4  37.737   2.292   2.649
   46   1H5*    C   5          1H5*      CYT   5  36.148  -4.660   7.411
   47   2H5*    C   5          2H5*      CYT   5  37.741  -4.302   6.759
   48    H4*    C   5           H4'      CYT   5  37.155  -2.270   7.711
   49    H3*    C   5           H3'      CYT   5  34.368  -3.004   6.880
   50   1H2*    C   5           H2'      CYT   5  33.723  -0.788   6.740
   51   2HO*    C   5          OH2*      CYT   5  36.072  -0.257   8.267
   52    H1*    C   5           H1'      CYT   5  36.104   0.213   5.738
   53   1H4     C   5           H41      CYT   5  32.421  -0.062   0.619
   54   2H4     C   5           H42      CYT   5  32.890  -1.729   0.378
   55    H5     C   5           H5       CYT   5  34.075  -3.013   2.024
   56    H6     C   5           H6       CYT   5  35.235  -2.933   4.185
   57   1H5*    C   6          1H5*      CYT   6  31.762  -1.729  11.267
   58   2H5*    C   6          2H5*      CYT   6  33.324  -0.992  10.925
   59    H4*    C   6           H4'      CYT   6  31.913   0.863  10.919
   60    H3*    C   6           H3'      CYT   6  29.900  -1.057   9.802
   61   1H2*    C   6           H2'      CYT   6  28.804   0.583   8.608
   62   2HO*    C   6          OH2*      CYT   6  30.123   2.359  10.383
   63    H1*    C   6           H1'      CYT   6  31.000   2.079   7.879
   64   1H4     C   6           H41      CYT   6  30.928  -2.525   3.236
   65   2H4     C   6           H42      CYT   6  29.968  -1.207   2.602
   66    H5     C   6           H5       CYT   6  31.655  -2.641   5.534
   67    H6     C   6           H6       CYT   6  31.747  -1.449   7.671
   68   1H5*    U   7          1H5*      URI   7  26.054   1.357  12.398
   69   2H5*    U   7          2H5*      URI   7  27.589   1.972  11.713
   70    H4*    U   7           H4'      URI   7  25.741   3.135  10.665
   71    H3*    U   7           H3'      URI   7  24.698   0.353  10.300
   72   1H2*    U   7           H2'      URI   7  23.780   0.821   8.253
   73   2HO*    U   7          OH2*      URI   7  23.172   3.094   9.384
   74    H1*    U   7           H1'      URI   7  25.666   2.738   7.427
   75    H3     U   7           H3       URI   7  26.480  -0.154   4.129
   76    H5     U   7           H5       URI   7  26.738  -2.596   7.557
   77    H6     U   7           H6       URI   7  26.237  -0.633   8.906
   78   1H5*    C   8          1H5*      CYT   8  19.792   2.141  10.317
   79   2H5*    C   8          2H5*      CYT   8  21.398   2.838   9.958
   80    H4*    C   8           H4'      CYT   8  20.175   2.750   7.905
   81    H3*    C   8           H3'      CYT   8  19.539  -0.014   8.860
   82   1H2*    C   8           H2'      CYT   8  19.667  -0.936   6.775
   83   2HO*    C   8          OH2*      CYT   8  19.116   1.692   5.922
   84    H1*    C   8           H1'      CYT   8  21.679   0.708   5.750
   85   1H4     C   8           H41      CYT   8  24.098  -4.743   8.669
   86   2H4     C   8           H42      CYT   8  24.645  -4.763   7.007
   87    H5     C   8           H5       CYT   8  22.695  -3.003   9.576
   88    H6     C   8           H6       CYT   8  21.517  -0.917   9.082
   89   1H5*    C   9          1H5*      CYT   9  15.995  -0.980   6.160
   90   2H5*    C   9          2H5*      CYT   9  17.723  -0.650   5.843
   91    H4*    C   9           H4'      CYT   9  17.231  -2.807   4.946
   92    H3*    C   9           H3'      CYT   9  15.532  -2.998   7.275
   93   1H2*    C   9           H2'      CYT   9  16.312  -4.786   8.294
   94   2HO*    C   9          OH2*      CYT   9  17.293  -6.517   6.757
   95    H1*    C   9           H1'      CYT   9  18.796  -5.245   6.972
   96   1H4     C   9           H41      CYT   9  19.614  -2.726  13.043
   97   2H4     C   9           H42      CYT   9  20.347  -4.314  13.048
   98    H5     C   9           H5       CYT   9  18.482  -1.800  11.131
   99    H6     C   9           H6       CYT   9  17.748  -2.221   8.827
  100   1H5*    U  10          1H5*      URI  10  11.209  -4.996   3.735
  101   2H5*    U  10          2H5*      URI  10  11.402  -4.643   5.479
  102    H4*    U  10           H4'      URI  10  10.995  -2.806   3.326
  103    H3*    U  10           H3'      URI  10  13.752  -3.077   3.810
  104   1H2*    U  10           H2'      URI  10  13.878  -2.107   5.826
  105   2HO*    U  10          OH2*      URI  10  14.897  -0.508   4.627
  106    H1*    U  10           H1'      URI  10  11.583  -0.278   5.422
  107    H3     U  10           H3       URI  10  11.809   0.756   9.796
  108    H5     U  10           H5       URI  10  12.943  -3.304   9.735
  109    H6     U  10           H6       URI  10  12.704  -3.272   7.312
  110   1H5*    C  11          1H5*      CYT  11  15.578  -3.375   1.295
  111   2H5*    C  11          2H5*      CYT  11  13.854  -3.243   1.753
  112    H4*    C  11           H4'      CYT  11  14.580  -4.601  -0.396
  113    H3*    C  11           H3'      CYT  11  15.233  -1.880  -1.121
  114   1H2*    C  11           H2'      CYT  11  13.550  -1.264  -2.494
  115   2HO*    C  11          OH2*      CYT  11  13.718  -2.585  -4.163
  116    H1*    C  11           H1'      CYT  11  11.444  -2.933  -1.856
  117   1H4     C  11           H41      CYT  11  11.307   2.767   1.497
  118   2H4     C  11           H42      CYT  11  10.355   1.756   2.560
  119    H5     C  11           H5       CYT  11  10.146  -0.627   2.273
  120    H6     C  11           H6       CYT  11  10.805  -2.553   0.914
  121   1H5*    G  12          1H5*      GUA  12  18.438  -3.263  -5.299
  122   2H5*    G  12          2H5*      GUA  12  17.816  -2.005  -4.190
  123    H4*    G  12           H4'      GUA  12  20.175  -1.707  -4.293
  124    H3*    G  12           H3'      GUA  12  20.197  -4.595  -4.551
  125   1H2*    G  12           H2'      GUA  12  21.267  -5.234  -2.713
  126   2HO*    G  12          OH2*      GUA  12  23.281  -4.497  -2.303
  127    H1*    G  12           H1'      GUA  12  21.611  -2.758  -1.290
  128    H8     G  12           H8       GUA  12  19.161  -2.696   0.410
  129    H1     G  12           H1       GUA  12  19.672  -9.041   0.197
  130   1H2     G  12           H21      GUA  12  20.982  -9.638  -1.489
  131   2H2     G  12           H22      GUA  12  21.734  -8.470  -2.554
  132   1H5*    C  13          1H5*      CYT  13  24.256  -3.386  -3.524
  133   2H5*    C  13          2H5*      CYT  13  25.518  -2.484  -4.414
  134    H4*    C  13           H4'      CYT  13  22.995  -1.431  -5.240
  135    H3*    C  13           H3'      CYT  13  25.337  -0.498  -3.616
  136   1H2*    C  13           H2'      CYT  13  24.228   1.287  -2.734
  137   2HO*    C  13          OH2*      CYT  13  23.397   1.953  -4.823
  138    H1*    C  13           H1'      CYT  13  21.709   0.153  -2.518
  139   1H4     C  13           H41      CYT  13  25.237  -1.320   2.877
  140   2H4     C  13           H42      CYT  13  24.576   0.266   3.202
  141    H5     C  13           H5       CYT  13  25.042  -2.415   0.742
  142    H6     C  13           H6       CYT  13  24.041  -2.312  -1.485
  143   1H5*    G  14          1H5*      GUA  14  26.060   4.132  -5.065
  144   2H5*    G  14          2H5*      GUA  14  24.446   3.437  -4.951
  145    H4*    G  14           H4'      GUA  14  24.382   4.902  -3.153
  146    H3*    G  14           H3'      GUA  14  27.346   4.418  -3.060
  147   1H2*    G  14           H2'      GUA  14  27.490   4.814  -0.802
  148   2HO*    G  14          OH2*      GUA  14  24.966   6.062  -1.145
  149    H1*    G  14           H1'      GUA  14  25.191   3.561  -0.028
  150    H8     G  14           H8       GUA  14  26.849   1.522  -2.696
  151    H1     G  14           H1       GUA  14  29.358   0.569   3.074
  152   1H2     G  14           H21      GUA  14  28.719   2.175   4.456
  153   2H2     G  14           H22      GUA  14  27.667   3.480   3.956
  154   1H5*    G  15          1H5*      GUA  15  29.067   9.323  -2.349
  155   2H5*    G  15          2H5*      GUA  15  27.479   8.847  -1.759
  156    H4*    G  15           H4'      GUA  15  28.604   9.441   0.205
  157    H3*    G  15           H3'      GUA  15  30.991   8.227  -1.154
  158   1H2*    G  15           H2'      GUA  15  31.956   7.595   0.844
  159   2HO*    G  15          OH2*      GUA  15  30.094   9.395   2.037
  160    H1*    G  15           H1'      GUA  15  29.661   6.824   2.145
  161    H8     G  15           H8       GUA  15  29.635   5.596  -1.422
  162    H1     G  15           H1       GUA  15  32.897   1.808   2.527
  163   1H2     G  15           H21      GUA  15  32.809   4.515   4.716
  164   2H2     G  15           H22      GUA  15  33.336   2.873   4.420
  165   1H5*    U  16          1H5*      URI  16  34.645  11.559   0.533
  166   2H5*    U  16          2H5*      URI  16  33.137  11.343   1.414
  167    H4*    U  16           H4'      URI  16  34.731  10.628   2.962
  168    H3*    U  16           H3'      URI  16  36.160   9.604   0.531
  169   1H2*    U  16           H2'      URI  16  37.204   7.920   1.705
  170   2HO*    U  16          OH2*      URI  16  36.581   9.528   3.938
  171    H1*    U  16           H1'      URI  16  35.091   7.219   3.308
  172    H3     U  16           H3       URI  16  35.707   3.718   0.493
  173    H5     U  16           H5       URI  16  33.466   6.531  -1.705
  174    H6     U  16           H6       URI  16  33.921   8.155   0.030
  175   1H5*    G  17          1H5*      GUA  17  40.961  10.296   1.373
  176   2H5*    G  17          2H5*      GUA  17  39.814  10.068   2.683
  177    H4*    G  17           H4'      GUA  17  41.040   8.114   2.772
  178    H3*    G  17           H3'      GUA  17  41.157   8.342  -0.213
  179   1H2*    G  17           H2'      GUA  17  41.442   6.049  -0.429
  180   2HO*    G  17          OH2*      GUA  17  42.304   6.232   2.252
  181    H1*    G  17           H1'      GUA  17  39.791   5.297   1.665
  182    H8     G  17           H8       GUA  17  38.072   7.828  -0.489
  183    H1     G  17           H1       GUA  17  37.799   1.903  -2.836
  184   1H2     G  17           H21      GUA  17  40.424   1.261  -0.639
  185   2H2     G  17           H22      GUA  17  39.347   0.647  -1.873
  186   1H5*    C  18          1H5*      CYT  18  45.915   6.731  -1.071
  187   2H5*    C  18          2H5*      CYT  18  45.056   6.350   0.413
  188    H4*    C  18           H4'      CYT  18  45.247   4.256  -0.511
  189    H3*    C  18           H3'      CYT  18  45.041   5.652  -3.165
  190   1H2*    C  18           H2'      CYT  18  44.275   3.724  -4.172
  191   2HO*    C  18          OH2*      CYT  18  45.505   2.454  -1.963
  192    H1*    C  18           H1'      CYT  18  42.858   2.745  -1.958
  193   1H4     C  18           H41      CYT  18  38.343   6.092  -5.285
  194   2H4     C  18           H42      CYT  18  38.304   4.470  -5.946
  195    H5     C  18           H5       CYT  18  40.091   6.872  -3.801
  196    H6     C  18           H6       CYT  18  42.082   6.214  -2.522
  197   1H5*    C  19          1H5*      CYT  19  48.841   2.647  -5.418
  198   2H5*    C  19          2H5*      CYT  19  48.080   2.186  -3.898
  199    H4*    C  19           H4'      CYT  19  47.472   0.392  -5.239
  200    H3*    C  19           H3'      CYT  19  47.535   2.430  -7.425
  201   1H2*    C  19           H2'      CYT  19  45.956   1.369  -8.678
  202   2HO*    C  19          OH2*      CYT  19  45.314  -0.870  -7.987
  203    H1*    C  19           H1'      CYT  19  44.437   0.332  -6.604
  204   1H4     C  19           H41      CYT  19  41.719   6.178  -7.663
  205   2H4     C  19           H42      CYT  19  40.814   5.052  -8.650
  206    H5     C  19           H5       CYT  19  43.795   5.601  -6.569
  207    H6     C  19           H6       CYT  19  45.364   3.775  -6.078
  208    H3T    C  19           H3T      CYT  19  49.325   1.188  -7.461
   
  Start of MODEL    6
    1   1H5*    G   1          1H5*      GUA   1  33.521   1.525 -15.287
    2   2H5*    G   1          2H5*      GUA   1  34.478   2.990 -14.978
    3    H4*    G   1           H4'      GUA   1  35.509   0.535 -15.489
    4    H3*    G   1           H3'      GUA   1  34.962   0.779 -12.563
    5   1H2*    G   1           H2'      GUA   1  36.982  -0.042 -11.991
    6   2HO*    G   1          OH2*      GUA   1  36.829  -1.298 -14.445
    7    H1*    G   1           H1'      GUA   1  38.447   1.002 -14.034
    8    H8     G   1           H8       GUA   1  36.528   3.861 -12.748
    9    H1     G   1           H1       GUA   1  41.649   2.538  -9.198
   10   1H2     G   1           H21      GUA   1  42.329   0.467  -9.577
   11   2H2     G   1           H22      GUA   1  41.528  -0.594 -10.713
   12    H5T    G   1           H5T      GUA   1  33.393   1.238 -13.021
   13   1H5*    G   2          1H5*      GUA   2  34.685  -4.013 -11.016
   14   2H5*    G   2          2H5*      GUA   2  35.587  -3.588 -12.460
   15    H4*    G   2           H4'      GUA   2  37.268  -4.306 -11.035
   16    H3*    G   2           H3'      GUA   2  35.583  -3.092  -8.871
   17   1H2*    G   2           H2'      GUA   2  37.424  -2.677  -7.543
   18   2HO*    G   2          OH2*      GUA   2  39.506  -3.635  -8.110
   19    H1*    G   2           H1'      GUA   2  39.220  -2.080  -9.583
   20    H8     G   2           H8       GUA   2  36.097  -0.107 -10.136
   21    H1     G   2           H1       GUA   2  39.931   2.447  -5.725
   22   1H2     G   2           H21      GUA   2  41.419   0.944  -5.056
   23   2H2     G   2           H22      GUA   2  41.465  -0.682  -5.700
   24   1H5*    C   3          1H5*      CYT   3  36.696  -6.577  -5.153
   25   2H5*    C   3          2H5*      CYT   3  37.710  -6.367  -6.574
   26    H4*    C   3           H4'      CYT   3  39.169  -5.707  -4.916
   27    H3*    C   3           H3'      CYT   3  36.700  -4.759  -3.501
   28   1H2*    C   3           H2'      CYT   3  37.883  -3.178  -2.307
   29   2HO*    C   3          OH2*      CYT   3  40.227  -3.239  -2.280
   30    H1*    C   3           H1'      CYT   3  39.732  -2.544  -4.274
   31   1H4     C   3           H41      CYT   3  35.946   2.480  -4.182
   32   2H4     C   3           H42      CYT   3  34.893   1.697  -5.339
   33    H5     C   3           H5       CYT   3  35.066  -0.637  -5.915
   34    H6     C   3           H6       CYT   3  36.394  -2.680  -5.633
   35   1H5*    A   4          1H5*      ADE   4  37.756  -6.827   1.279
   36   2H5*    A   4          2H5*      ADE   4  39.061  -6.511   0.144
   37    H4*    A   4           H4'      ADE   4  39.629  -5.243   2.047
   38    H3*    A   4           H3'      ADE   4  36.694  -4.655   2.130
   39   1H2*    A   4           H2'      ADE   4  37.024  -2.578   3.091
   40   2HO*    A   4          OH2*      ADE   4  39.612  -3.579   3.721
   41    H1*    A   4           H1'      ADE   4  39.346  -1.920   1.731
   42    H8     A   4           H8       ADE   4  36.695  -3.310  -0.574
   43   1H6     A   4           H61      ADE   4  34.802   2.496  -1.279
   44   2H6     A   4           H62      ADE   4  34.760   0.880  -1.948
   45    H2     A   4           H2       ADE   4  37.569   2.361   2.262
   46   1H5*    C   5          1H5*      CYT   5  35.809  -4.496   7.163
   47   2H5*    C   5          2H5*      CYT   5  37.402  -4.158   6.502
   48    H4*    C   5           H4'      CYT   5  36.815  -2.122   7.452
   49    H3*    C   5           H3'      CYT   5  34.038  -2.794   6.527
   50   1H2*    C   5           H2'      CYT   5  33.460  -0.555   6.399
   51   2HO*    C   5          OH2*      CYT   5  35.820  -0.063   7.932
   52    H1*    C   5           H1'      CYT   5  35.902   0.380   5.476
   53   1H4     C   5           H41      CYT   5  32.317   0.315   0.288
   54   2H4     C   5           H42      CYT   5  32.723  -1.366   0.029
   55    H5     C   5           H5       CYT   5  33.842  -2.721   1.674
   56    H6     C   5           H6       CYT   5  34.950  -2.713   3.861
   57   1H5*    C   6          1H5*      CYT   6  31.447  -1.245  10.873
   58   2H5*    C   6          2H5*      CYT   6  33.071  -0.646  10.540
   59    H4*    C   6           H4'      CYT   6  31.837   1.330  10.492
   60    H3*    C   6           H3'      CYT   6  29.651  -0.436   9.441
   61   1H2*    C   6           H2'      CYT   6  28.699   1.230   8.178
   62   2HO*    C   6          OH2*      CYT   6  30.208   2.983   9.834
   63    H1*    C   6           H1'      CYT   6  31.003   2.466   7.328
   64   1H4     C   6           H41      CYT   6  30.517  -2.573   3.171
   65   2H4     C   6           H42      CYT   6  29.679  -1.244   2.403
   66    H5     C   6           H5       CYT   6  31.249  -2.517   5.468
   67    H6     C   6           H6       CYT   6  31.458  -1.124   7.472
   68   1H5*    U   7          1H5*      URI   7  26.149   2.351  11.649
   69   2H5*    U   7          2H5*      URI   7  27.614   2.587  10.649
   70    H4*    U   7           H4'      URI   7  25.581   3.500   9.551
   71    H3*    U   7           H3'      URI   7  24.665   0.684   9.987
   72   1H2*    U   7           H2'      URI   7  23.634   0.532   7.953
   73   2HO*    U   7          OH2*      URI   7  23.214   3.177   8.386
   74    H1*    U   7           H1'      URI   7  25.386   2.149   6.495
   75    H3     U   7           H3       URI   7  25.998  -1.737   4.342
   76    H5     U   7           H5       URI   7  27.265  -2.608   8.270
   77    H6     U   7           H6       URI   7  26.566  -0.377   8.916
   78   1H5*    C   8          1H5*      CYT   8  20.021   1.395   8.708
   79   2H5*    C   8          2H5*      CYT   8  21.547   2.127   8.132
   80    H4*    C   8           H4'      CYT   8  20.781   0.788   6.344
   81    H3*    C   8           H3'      CYT   8  20.114  -1.136   8.538
   82   1H2*    C   8           H2'      CYT   8  20.644  -2.984   7.304
   83   2HO*    C   8          OH2*      CYT   8  20.386  -1.286   5.032
   84    H1*    C   8           H1'      CYT   8  22.724  -1.862   5.809
   85   1H4     C   8           H41      CYT   8  25.011  -4.436  11.478
   86   2H4     C   8           H42      CYT   8  25.786  -5.310  10.175
   87    H5     C   8           H5       CYT   8  23.371  -2.713  11.118
   88    H6     C   8           H6       CYT   8  22.130  -1.439   9.437
   89   1H5*    C   9          1H5*      CYT   9  16.825  -2.986   6.053
   90   2H5*    C   9          2H5*      CYT   9  18.579  -3.224   6.327
   91    H4*    C   9           H4'      CYT   9  17.288  -5.354   6.111
   92    H3*    C   9           H3'      CYT   9  15.667  -4.037   8.110
   93   1H2*    C   9           H2'      CYT   9  15.886  -5.373   9.864
   94   2HO*    C   9          OH2*      CYT   9  16.530  -7.781   8.834
   95    H1*    C   9           H1'      CYT   9  18.169  -6.910   9.238
   96   1H4     C   9           H41      CYT   9  19.430  -1.959  13.471
   97   2H4     C   9           H42      CYT   9  19.575  -3.445  14.384
   98    H5     C   9           H5       CYT   9  18.808  -1.892  11.151
   99    H6     C   9           H6       CYT   9  18.122  -3.224   9.215
  100   1H5*    U  10          1H5*      URI  10  10.810  -6.037   5.350
  101   2H5*    U  10          2H5*      URI  10  11.139  -5.104   6.844
  102    H4*    U  10           H4'      URI  10  11.209  -4.200   4.123
  103    H3*    U  10           H3'      URI  10  13.779  -4.996   4.923
  104   1H2*    U  10           H2'      URI  10  14.204  -3.388   6.428
  105   2HO*    U  10          OH2*      URI  10  14.733  -1.291   5.092
  106    H1*    U  10           H1'      URI  10  12.515  -1.290   5.156
  107    H3     U  10           H3       URI  10  13.066   1.261   8.802
  108    H5     U  10           H5       URI  10  13.124  -2.646  10.390
  109    H6     U  10           H6       URI  10  12.852  -3.502   8.125
  110   1H5*    C  11          1H5*      CYT  11  13.383  -1.723   1.582
  111   2H5*    C  11          2H5*      CYT  11  14.764  -0.720   1.035
  112    H4*    C  11           H4'      CYT  11  15.491  -2.843  -0.269
  113    H3*    C  11           H3'      CYT  11  13.731  -0.679  -0.902
  114   1H2*    C  11           H2'      CYT  11  11.921  -1.649  -1.774
  115   2HO*    C  11          OH2*      CYT  11  12.914  -2.086  -3.693
  116    H1*    C  11           H1'      CYT  11  12.327  -4.438  -1.406
  117   1H4     C  11           H41      CYT  11   7.381  -2.031   2.258
  118   2H4     C  11           H42      CYT  11   7.817  -3.454   3.177
  119    H5     C  11           H5       CYT  11   9.736  -4.808   2.672
  120    H6     C  11           H6       CYT  11  11.731  -5.034   1.273
  121   1H5*    G  12          1H5*      GUA  12  17.102  -2.427  -2.841
  122   2H5*    G  12          2H5*      GUA  12  17.530  -2.314  -4.576
  123    H4*    G  12           H4'      GUA  12  19.323  -0.609  -3.780
  124    H3*    G  12           H3'      GUA  12  19.280  -3.510  -3.911
  125   1H2*    G  12           H2'      GUA  12  20.514  -4.094  -2.161
  126   2HO*    G  12          OH2*      GUA  12  22.126  -1.816  -2.727
  127    H1*    G  12           H1'      GUA  12  20.848  -1.637  -0.753
  128    H8     G  12           H8       GUA  12  18.681  -1.566   1.149
  129    H1     G  12           H1       GUA  12  18.456  -7.890   0.404
  130   1H2     G  12           H21      GUA  12  19.488  -8.466  -1.469
  131   2H2     G  12           H22      GUA  12  20.233  -7.294  -2.532
  132   1H5*    C  13          1H5*      CYT  13  24.888  -1.798  -4.210
  133   2H5*    C  13          2H5*      CYT  13  24.116  -1.783  -5.822
  134    H4*    C  13           H4'      CYT  13  22.508  -0.221  -5.186
  135    H3*    C  13           H3'      CYT  13  25.065   0.282  -3.698
  136   1H2*    C  13           H2'      CYT  13  24.185   2.008  -2.485
  137   2HO*    C  13          OH2*      CYT  13  22.510   3.229  -3.152
  138    H1*    C  13           H1'      CYT  13  21.609   1.017  -2.176
  139   1H4     C  13           H41      CYT  13  25.443  -1.391   2.640
  140   2H4     C  13           H42      CYT  13  25.267   0.292   3.081
  141    H5     C  13           H5       CYT  13  24.665  -2.293   0.549
  142    H6     C  13           H6       CYT  13  23.435  -1.822  -1.509
  143   1H5*    G  14          1H5*      GUA  14  25.649   4.846  -5.684
  144   2H5*    G  14          2H5*      GUA  14  24.449   3.625  -5.268
  145    H4*    G  14           H4'      GUA  14  24.572   5.290  -3.503
  146    H3*    G  14           H3'      GUA  14  27.501   4.646  -3.621
  147   1H2*    G  14           H2'      GUA  14  27.744   4.881  -1.341
  148   2HO*    G  14          OH2*      GUA  14  25.975   5.846  -0.084
  149    H1*    G  14           H1'      GUA  14  25.243   3.913  -0.593
  150    H8     G  14           H8       GUA  14  26.801   1.470  -2.921
  151    H1     G  14           H1       GUA  14  29.117   1.033   2.984
  152   1H2     G  14           H21      GUA  14  28.612   2.845   4.142
  153   2H2     G  14           H22      GUA  14  27.695   4.170   3.461
  154   1H5*    G  15          1H5*      GUA  15  29.390   9.598  -2.802
  155   2H5*    G  15          2H5*      GUA  15  27.777   9.174  -2.237
  156    H4*    G  15           H4'      GUA  15  28.905   9.810  -0.266
  157    H3*    G  15           H3'      GUA  15  31.245   8.429  -1.546
  158   1H2*    G  15           H2'      GUA  15  32.120   7.724   0.456
  159   2HO*    G  15          OH2*      GUA  15  31.023   8.502   2.470
  160    H1*    G  15           H1'      GUA  15  29.790   7.020   1.680
  161    H8     G  15           H8       GUA  15  29.677   6.075  -1.977
  162    H1     G  15           H1       GUA  15  32.703   1.811   1.652
  163   1H2     G  15           H21      GUA  15  32.771   4.347   4.040
  164   2H2     G  15           H22      GUA  15  33.200   2.704   3.619
  165   1H5*    U  16          1H5*      URI  16  35.040  11.642   0.252
  166   2H5*    U  16          2H5*      URI  16  33.503  11.507   1.100
  167    H4*    U  16           H4'      URI  16  35.021  10.788   2.719
  168    H3*    U  16           H3'      URI  16  36.497   9.675   0.363
  169   1H2*    U  16           H2'      URI  16  37.469   7.996   1.598
  170   2HO*    U  16          OH2*      URI  16  36.879   9.691   3.762
  171    H1*    U  16           H1'      URI  16  35.297   7.378   3.159
  172    H3     U  16           H3       URI  16  35.909   3.798   0.443
  173    H5     U  16           H5       URI  16  33.803   6.611  -1.882
  174    H6     U  16           H6       URI  16  34.247   8.262  -0.172
  175   1H5*    G  17          1H5*      GUA  17  41.278  10.261   1.299
  176   2H5*    G  17          2H5*      GUA  17  40.097  10.103   2.590
  177    H4*    G  17           H4'      GUA  17  41.233   8.108   2.765
  178    H3*    G  17           H3'      GUA  17  41.507   8.280  -0.212
  179   1H2*    G  17           H2'      GUA  17  41.716   5.973  -0.381
  180   2HO*    G  17          OH2*      GUA  17  42.503   6.179   2.317
  181    H1*    G  17           H1'      GUA  17  39.963   5.309   1.670
  182    H8     G  17           H8       GUA  17  38.371   7.811  -0.589
  183    H1     G  17           H1       GUA  17  38.080   1.854  -2.849
  184   1H2     G  17           H21      GUA  17  40.624   1.199  -0.557
  185   2H2     G  17           H22      GUA  17  39.574   0.581  -1.812
  186   1H5*    C  18          1H5*      CYT  18  46.196   6.324  -0.678
  187   2H5*    C  18          2H5*      CYT  18  45.191   6.051   0.737
  188    H4*    C  18           H4'      CYT  18  45.319   3.917  -0.128
  189    H3*    C  18           H3'      CYT  18  45.397   5.280  -2.803
  190   1H2*    C  18           H2'      CYT  18  44.587   3.393  -3.857
  191   2HO*    C  18          OH2*      CYT  18  45.464   2.055  -1.510
  192    H1*    C  18           H1'      CYT  18  42.906   2.562  -1.785
  193   1H4     C  18           H41      CYT  18  39.049   6.338  -5.462
  194   2H4     C  18           H42      CYT  18  38.897   4.724  -6.124
  195    H5     C  18           H5       CYT  18  40.739   6.946  -3.842
  196    H6     C  18           H6       CYT  18  42.538   6.099  -2.407
  197   1H5*    C  19          1H5*      CYT  19  49.126   2.117  -4.858
  198   2H5*    C  19          2H5*      CYT  19  48.250   1.659  -3.400
  199    H4*    C  19           H4'      CYT  19  47.617  -0.057  -4.830
  200    H3*    C  19           H3'      CYT  19  47.950   2.029  -6.946
  201   1H2*    C  19           H2'      CYT  19  46.392   1.113  -8.328
  202   2HO*    C  19          OH2*      CYT  19  45.555  -1.094  -7.748
  203    H1*    C  19           H1'      CYT  19  44.665   0.139  -6.397
  204   1H4     C  19           H41      CYT  19  42.536   6.244  -7.335
  205   2H4     C  19           H42      CYT  19  41.594   5.254  -8.426
  206    H5     C  19           H5       CYT  19  44.470   5.432  -6.153
  207    H6     C  19           H6       CYT  19  45.844   3.456  -5.669
  208    H3T    C  19           H3T      CYT  19  48.582  -0.759  -6.848
   
  Start of MODEL    7
    1   1H5*    G   1          1H5*      GUA   1  33.378   0.661 -15.221
    2   2H5*    G   1          2H5*      GUA   1  34.044   2.306 -15.088
    3    H4*    G   1           H4'      GUA   1  35.519   0.018 -15.109
    4    H3*    G   1           H3'      GUA   1  34.640   0.626 -12.326
    5   1H2*    G   1           H2'      GUA   1  36.696   0.367 -11.466
    6   2HO*    G   1          OH2*      GUA   1  38.354  -0.804 -12.545
    7    H1*    G   1           H1'      GUA   1  38.185   1.074 -13.678
    8    H8     G   1           H8       GUA   1  36.025   3.971 -12.886
    9    H1     G   1           H1       GUA   1  41.196   3.542  -9.183
   10   1H2     G   1           H21      GUA   1  42.023   1.481  -9.285
   11   2H2     G   1           H22      GUA   1  41.297   0.230 -10.269
   12    H5T    G   1           H5T      GUA   1  33.062   0.682 -12.977
   13   1H5*    G   2          1H5*      GUA   2  35.288  -4.525 -10.737
   14   2H5*    G   2          2H5*      GUA   2  36.028  -3.927 -12.214
   15    H4*    G   2           H4'      GUA   2  37.858  -4.732 -11.007
   16    H3*    G   2           H3'      GUA   2  36.371  -3.685  -8.620
   17   1H2*    G   2           H2'      GUA   2  38.314  -3.306  -7.437
   18   2HO*    G   2          OH2*      GUA   2  40.370  -4.103  -8.334
   19    H1*    G   2           H1'      GUA   2  39.858  -2.415  -9.539
   20    H8     G   2           H8       GUA   2  36.501  -0.809  -9.776
   21    H1     G   2           H1       GUA   2  40.307   2.000  -5.508
   22   1H2     G   2           H21      GUA   2  42.024   0.672  -5.040
   23   2H2     G   2           H22      GUA   2  42.226  -0.900  -5.781
   24   1H5*    C   3          1H5*      CYT   3  37.448  -7.198  -5.099
   25   2H5*    C   3          2H5*      CYT   3  38.518  -6.905  -6.461
   26    H4*    C   3           H4'      CYT   3  39.850  -6.232  -4.699
   27    H3*    C   3           H3'      CYT   3  37.275  -5.352  -3.434
   28   1H2*    C   3           H2'      CYT   3  38.386  -3.819  -2.104
   29   2HO*    C   3          OH2*      CYT   3  40.767  -3.883  -2.037
   30    H1*    C   3           H1'      CYT   3  40.337  -3.119  -3.965
   31   1H4     C   3           H41      CYT   3  36.530   1.911  -3.845
   32   2H4     C   3           H42      CYT   3  35.536   1.176  -5.084
   33    H5     C   3           H5       CYT   3  35.745  -1.139  -5.744
   34    H6     C   3           H6       CYT   3  37.077  -3.183  -5.499
   35   1H5*    A   4          1H5*      ADE   4  37.916  -7.075   1.384
   36   2H5*    A   4          2H5*      ADE   4  39.299  -6.788   0.337
   37    H4*    A   4           H4'      ADE   4  39.645  -5.267   2.063
   38    H3*    A   4           H3'      ADE   4  36.663  -4.940   2.015
   39   1H2*    A   4           H2'      ADE   4  36.830  -2.792   2.872
   40   2HO*    A   4          OH2*      ADE   4  39.426  -3.617   3.676
   41    H1*    A   4           H1'      ADE   4  39.197  -2.099   1.572
   42    H8     A   4           H8       ADE   4  36.667  -3.520  -0.837
   43   1H6     A   4           H61      ADE   4  34.576   2.237  -1.467
   44   2H6     A   4           H62      ADE   4  34.600   0.634  -2.167
   45    H2     A   4           H2       ADE   4  37.256   2.126   2.136
   46   1H5*    C   5          1H5*      CYT   5  35.725  -4.605   7.125
   47   2H5*    C   5          2H5*      CYT   5  37.336  -4.309   6.484
   48    H4*    C   5           H4'      CYT   5  36.810  -2.220   7.326
   49    H3*    C   5           H3'      CYT   5  33.984  -2.925   6.583
   50   1H2*    C   5           H2'      CYT   5  33.402  -0.713   6.292
   51   2HO*    C   5          OH2*      CYT   5  35.700  -0.200   7.869
   52    H1*    C   5           H1'      CYT   5  35.810   0.172   5.236
   53   1H4     C   5           H41      CYT   5  32.136  -0.171   0.140
   54   2H4     C   5           H42      CYT   5  32.571  -1.855  -0.061
   55    H5     C   5           H5       CYT   5  33.728  -3.127   1.631
   56    H6     C   5           H6       CYT   5  34.867  -3.013   3.802
   57   1H5*    C   6          1H5*      CYT   6  31.652  -1.031  11.003
   58   2H5*    C   6          2H5*      CYT   6  33.259  -0.480  10.537
   59    H4*    C   6           H4'      CYT   6  32.060   1.514  10.430
   60    H3*    C   6           H3'      CYT   6  29.784  -0.285   9.687
   61   1H2*    C   6           H2'      CYT   6  28.751   1.285   8.368
   62   2HO*    C   6          OH2*      CYT   6  29.490   3.535   8.454
   63    H1*    C   6           H1'      CYT   6  31.015   2.528   7.358
   64   1H4     C   6           H41      CYT   6  30.377  -2.439   3.162
   65   2H4     C   6           H42      CYT   6  29.494  -1.112   2.443
   66    H5     C   6           H5       CYT   6  31.172  -2.418   5.432
   67    H6     C   6           H6       CYT   6  31.465  -1.056   7.442
   68   1H5*    U   7          1H5*      URI   7  26.183   2.586  11.786
   69   2H5*    U   7          2H5*      URI   7  27.809   2.902  11.106
   70    H4*    U   7           H4'      URI   7  26.147   3.729   9.538
   71    H3*    U   7           H3'      URI   7  24.932   1.039  10.034
   72   1H2*    U   7           H2'      URI   7  24.285   0.728   7.873
   73   2HO*    U   7          OH2*      URI   7  24.266   2.535   6.377
   74    H1*    U   7           H1'      URI   7  26.402   2.035   6.614
   75    H3     U   7           H3       URI   7  27.265  -2.096   5.118
   76    H5     U   7           H5       URI   7  27.255  -2.601   9.303
   77    H6     U   7           H6       URI   7  26.704  -0.248   9.518
   78   1H5*    C   8          1H5*      CYT   8  20.758   1.662   8.004
   79   2H5*    C   8          2H5*      CYT   8  22.443   1.989   7.505
   80    H4*    C   8           H4'      CYT   8  21.705   0.269   6.065
   81    H3*    C   8           H3'      CYT   8  20.409  -0.723   8.554
   82   1H2*    C   8           H2'      CYT   8  20.727  -2.925   8.091
   83   2HO*    C   8          OH2*      CYT   8  19.849  -2.639   5.909
   84    H1*    C   8           H1'      CYT   8  23.126  -2.651   6.630
   85   1H4     C   8           H41      CYT   8  24.485  -3.720  13.025
   86   2H4     C   8           H42      CYT   8  24.914  -5.187  12.175
   87    H5     C   8           H5       CYT   8  23.457  -1.826  11.948
   88    H6     C   8           H6       CYT   8  22.632  -0.925   9.821
   89   1H5*    C   9          1H5*      CYT   9  17.635  -3.452   6.276
   90   2H5*    C   9          2H5*      CYT   9  19.215  -3.992   6.929
   91    H4*    C   9           H4'      CYT   9  17.344  -5.586   7.382
   92    H3*    C   9           H3'      CYT   9  16.129  -3.111   8.346
   93   1H2*    C   9           H2'      CYT   9  15.854  -3.591  10.517
   94   2HO*    C   9          OH2*      CYT   9  14.707  -5.282  11.029
   95    H1*    C   9           H1'      CYT   9  17.524  -5.842  10.881
   96   1H4     C   9           H41      CYT   9  19.989  -0.253  13.463
   97   2H4     C   9           H42      CYT   9  19.933  -1.442  14.745
   98    H5     C   9           H5       CYT   9  19.215  -0.689  11.228
   99    H6     C   9           H6       CYT   9  18.275  -2.373   9.708
  100   1H5*    U  10          1H5*      URI  10  12.494  -4.352   4.702
  101   2H5*    U  10          2H5*      URI  10  11.126  -4.250   5.849
  102    H4*    U  10           H4'      URI  10  11.183  -2.277   4.407
  103    H3*    U  10           H3'      URI  10  13.959  -2.495   4.612
  104   1H2*    U  10           H2'      URI  10  14.287  -1.528   6.615
  105   2HO*    U  10          OH2*      URI  10  14.996   0.056   4.970
  106    H1*    U  10           H1'      URI  10  11.980   0.326   6.437
  107    H3     U  10           H3       URI  10  12.650   1.274  10.791
  108    H5     U  10           H5       URI  10  13.644  -2.818  10.544
  109    H6     U  10           H6       URI  10  13.163  -2.722   8.157
  110   1H5*    C  11          1H5*      CYT  11  15.401  -2.859   1.898
  111   2H5*    C  11          2H5*      CYT  11  13.755  -2.655   2.563
  112    H4*    C  11           H4'      CYT  11  14.294  -3.980   0.259
  113    H3*    C  11           H3'      CYT  11  14.434  -1.161  -0.406
  114   1H2*    C  11           H2'      CYT  11  12.477  -0.790  -1.468
  115   2HO*    C  11          OH2*      CYT  11  11.468  -2.959  -2.385
  116    H1*    C  11           H1'      CYT  11  10.793  -2.798  -0.566
  117   1H4     C  11           H41      CYT  11  10.177   2.835   2.852
  118   2H4     C  11           H42      CYT  11   9.585   1.684   4.029
  119    H5     C  11           H5       CYT  11   9.733  -0.700   3.730
  120    H6     C  11           H6       CYT  11  10.513  -2.498   2.265
  121   1H5*    G  12          1H5*      GUA  12  17.284  -3.210  -5.320
  122   2H5*    G  12          2H5*      GUA  12  16.853  -1.548  -4.830
  123    H4*    G  12           H4'      GUA  12  19.029  -1.116  -4.564
  124    H3*    G  12           H3'      GUA  12  19.219  -3.768  -5.620
  125   1H2*    G  12           H2'      GUA  12  20.367  -4.911  -4.105
  126   2HO*    G  12          OH2*      GUA  12  22.357  -3.972  -3.277
  127    H1*    G  12           H1'      GUA  12  20.810  -3.093  -1.969
  128    H8     G  12           H8       GUA  12  18.349  -3.414  -0.304
  129    H1     G  12           H1       GUA  12  18.246  -9.282  -2.783
  130   1H2     G  12           H21      GUA  12  19.531  -9.363  -4.586
  131   2H2     G  12           H22      GUA  12  20.415  -7.973  -5.177
  132   1H5*    C  13          1H5*      CYT  13  23.172  -2.893  -4.584
  133   2H5*    C  13          2H5*      CYT  13  24.563  -1.950  -5.195
  134    H4*    C  13           H4'      CYT  13  22.204  -0.319  -5.406
  135    H3*    C  13           H3'      CYT  13  24.769  -0.303  -3.843
  136   1H2*    C  13           H2'      CYT  13  24.032   1.273  -2.367
  137   2HO*    C  13          OH2*      CYT  13  22.704   2.184  -4.489
  138    H1*    C  13           H1'      CYT  13  21.417   0.431  -2.136
  139   1H4     C  13           H41      CYT  13  25.457  -3.091   1.783
  140   2H4     C  13           H42      CYT  13  25.172  -1.611   2.671
  141    H5     C  13           H5       CYT  13  24.669  -3.449  -0.467
  142    H6     C  13           H6       CYT  13  23.327  -2.536  -2.296
  143   1H5*    G  14          1H5*      GUA  14  25.108   4.541  -5.819
  144   2H5*    G  14          2H5*      GUA  14  24.125   3.149  -5.360
  145    H4*    G  14           H4'      GUA  14  24.204   4.878  -3.594
  146    H3*    G  14           H3'      GUA  14  27.138   4.296  -3.805
  147   1H2*    G  14           H2'      GUA  14  27.430   4.537  -1.528
  148   2HO*    G  14          OH2*      GUA  14  25.032   6.024  -1.681
  149    H1*    G  14           H1'      GUA  14  24.967   3.510  -0.735
  150    H8     G  14           H8       GUA  14  26.560   1.083  -3.054
  151    H1     G  14           H1       GUA  14  29.024   0.775   2.812
  152   1H2     G  14           H21      GUA  14  28.518   2.590   3.964
  153   2H2     G  14           H22      GUA  14  27.560   3.892   3.288
  154   1H5*    G  15          1H5*      GUA  15  28.957   9.203  -2.934
  155   2H5*    G  15          2H5*      GUA  15  27.345   8.741  -2.392
  156    H4*    G  15           H4'      GUA  15  28.440   9.290  -0.386
  157    H3*    G  15           H3'      GUA  15  30.818   8.065  -1.747
  158   1H2*    G  15           H2'      GUA  15  31.740   7.317   0.220
  159   2HO*    G  15          OH2*      GUA  15  30.021   9.231   1.396
  160    H1*    G  15           H1'      GUA  15  29.440   6.496   1.442
  161    H8     G  15           H8       GUA  15  29.367   5.590  -2.227
  162    H1     G  15           H1       GUA  15  32.461   1.360   1.396
  163   1H2     G  15           H21      GUA  15  32.518   3.908   3.769
  164   2H2     G  15           H22      GUA  15  32.965   2.269   3.352
  165   1H5*    U  16          1H5*      URI  16  34.507  11.220   0.241
  166   2H5*    U  16          2H5*      URI  16  32.953  11.023   1.040
  167    H4*    U  16           H4'      URI  16  34.435  10.206   2.639
  168    H3*    U  16           H3'      URI  16  35.981   9.231   0.259
  169   1H2*    U  16           H2'      URI  16  36.918   7.487   1.448
  170   2HO*    U  16          OH2*      URI  16  36.727   7.365   3.743
  171    H1*    U  16           H1'      URI  16  34.697   6.781   2.882
  172    H3     U  16           H3       URI  16  35.418   3.367  -0.018
  173    H5     U  16           H5       URI  16  33.364   6.302  -2.239
  174    H6     U  16           H6       URI  16  33.757   7.856  -0.428
  175   1H5*    G  17          1H5*      GUA  17  40.772  10.115   1.554
  176   2H5*    G  17          2H5*      GUA  17  39.529   9.821   2.761
  177    H4*    G  17           H4'      GUA  17  40.936   7.979   2.979
  178    H3*    G  17           H3'      GUA  17  41.141   8.116  -0.010
  179   1H2*    G  17           H2'      GUA  17  41.591   5.837  -0.136
  180   2HO*    G  17          OH2*      GUA  17  42.202   6.103   2.625
  181    H1*    G  17           H1'      GUA  17  39.865   5.033   1.848
  182    H8     G  17           H8       GUA  17  38.238   7.551  -0.432
  183    H1     G  17           H1       GUA  17  38.154   1.614  -2.750
  184   1H2     G  17           H21      GUA  17  40.623   0.986  -0.375
  185   2H2     G  17           H22      GUA  17  39.637   0.364  -1.681
  186   1H5*    C  18          1H5*      CYT  18  45.980   6.954  -0.770
  187   2H5*    C  18          2H5*      CYT  18  45.114   6.465   0.677
  188    H4*    C  18           H4'      CYT  18  45.515   4.430  -0.317
  189    H3*    C  18           H3'      CYT  18  45.146   5.878  -2.928
  190   1H2*    C  18           H2'      CYT  18  44.631   3.878  -3.973
  191   2HO*    C  18          OH2*      CYT  18  45.874   2.696  -1.706
  192    H1*    C  18           H1'      CYT  18  43.276   2.737  -1.815
  193   1H4     C  18           H41      CYT  18  38.625   5.879  -5.187
  194   2H4     C  18           H42      CYT  18  38.677   4.266  -5.861
  195    H5     C  18           H5       CYT  18  40.295   6.728  -3.668
  196    H6     C  18           H6       CYT  18  42.272   6.162  -2.338
  197   1H5*    C  19          1H5*      CYT  19  48.970   2.909  -5.042
  198   2H5*    C  19          2H5*      CYT  19  48.134   2.594  -3.523
  199    H4*    C  19           H4'      CYT  19  47.495   0.732  -4.754
  200    H3*    C  19           H3'      CYT  19  47.754   2.600  -7.073
  201   1H2*    C  19           H2'      CYT  19  46.169   1.550  -8.318
  202   2HO*    C  19          OH2*      CYT  19  46.699  -0.670  -6.634
  203    H1*    C  19           H1'      CYT  19  44.513   0.738  -6.251
  204   1H4     C  19           H41      CYT  19  42.185   6.634  -7.813
  205   2H4     C  19           H42      CYT  19  41.270   5.500  -8.784
  206    H5     C  19           H5       CYT  19  44.140   6.016  -6.547
  207    H6     C  19           H6       CYT  19  45.606   4.154  -5.896
  208    H3T    C  19           H3T      CYT  19  49.454   1.128  -6.586
   
  Start of MODEL    8
    1   1H5*    G   1          1H5*      GUA   1  33.903   0.526 -15.148
    2   2H5*    G   1          2H5*      GUA   1  34.710   2.090 -14.914
    3    H4*    G   1           H4'      GUA   1  35.995  -0.265 -15.288
    4    H3*    G   1           H3'      GUA   1  35.342   0.036 -12.390
    5   1H2*    G   1           H2'      GUA   1  37.427  -0.506 -11.726
    6   2HO*    G   1          OH2*      GUA   1  37.503  -1.885 -14.120
    7    H1*    G   1           H1'      GUA   1  38.836   0.583 -13.776
    8    H8     G   1           H8       GUA   1  36.533   3.244 -12.671
    9    H1     G   1           H1       GUA   1  41.706   2.760  -8.978
   10   1H2     G   1           H21      GUA   1  42.659   0.778  -9.258
   11   2H2     G   1           H22      GUA   1  42.026  -0.421 -10.363
   12    H5T    G   1           H5T      GUA   1  33.696   0.360 -12.909
   13   1H5*    G   2          1H5*      GUA   2  35.702  -4.873 -10.809
   14   2H5*    G   2          2H5*      GUA   2  36.562  -4.322 -12.239
   15    H4*    G   2           H4'      GUA   2  38.299  -4.902 -10.803
   16    H3*    G   2           H3'      GUA   2  36.499  -3.842  -8.645
   17   1H2*    G   2           H2'      GUA   2  38.292  -3.263  -7.308
   18   2HO*    G   2          OH2*      GUA   2  39.736  -5.077  -8.946
   19    H1*    G   2           H1'      GUA   2  40.016  -2.476  -9.336
   20    H8     G   2           H8       GUA   2  36.673  -0.872  -9.872
   21    H1     G   2           H1       GUA   2  40.235   2.151  -5.530
   22   1H2     G   2           H21      GUA   2  41.900   0.847  -4.875
   23   2H2     G   2           H22      GUA   2  42.135  -0.768  -5.507
   24   1H5*    C   3          1H5*      CYT   3  37.518  -7.154  -4.823
   25   2H5*    C   3          2H5*      CYT   3  38.655  -6.918  -6.141
   26    H4*    C   3           H4'      CYT   3  39.885  -6.119  -4.360
   27    H3*    C   3           H3'      CYT   3  37.237  -5.237  -3.250
   28   1H2*    C   3           H2'      CYT   3  38.243  -3.577  -1.993
   29   2HO*    C   3          OH2*      CYT   3  40.571  -3.551  -1.730
   30    H1*    C   3           H1'      CYT   3  40.261  -2.947  -3.798
   31   1H4     C   3           H41      CYT   3  36.368   1.984  -4.214
   32   2H4     C   3           H42      CYT   3  35.453   1.149  -5.452
   33    H5     C   3           H5       CYT   3  35.744  -1.194  -5.954
   34    H6     C   3           H6       CYT   3  37.083  -3.196  -5.488
   35   1H5*    A   4          1H5*      ADE   4  37.825  -6.868   1.738
   36   2H5*    A   4          2H5*      ADE   4  39.238  -6.637   0.720
   37    H4*    A   4           H4'      ADE   4  39.619  -5.142   2.465
   38    H3*    A   4           H3'      ADE   4  36.650  -4.721   2.381
   39   1H2*    A   4           H2'      ADE   4  36.837  -2.563   3.181
   40   2HO*    A   4          OH2*      ADE   4  38.990  -1.838   3.958
   41    H1*    A   4           H1'      ADE   4  39.194  -1.895   1.884
   42    H8     A   4           H8       ADE   4  36.752  -3.529  -0.480
   43   1H6     A   4           H61      ADE   4  34.607   2.130  -1.592
   44   2H6     A   4           H62      ADE   4  34.679   0.483  -2.176
   45    H2     A   4           H2       ADE   4  37.157   2.318   2.103
   46   1H5*    C   5          1H5*      CYT   5  35.651  -4.145   7.417
   47   2H5*    C   5          2H5*      CYT   5  37.269  -3.884   6.780
   48    H4*    C   5           H4'      CYT   5  36.730  -1.756   7.501
   49    H3*    C   5           H3'      CYT   5  33.919  -2.501   6.750
   50   1H2*    C   5           H2'      CYT   5  33.339  -0.297   6.387
   51   2HO*    C   5          OH2*      CYT   5  35.624   0.265   7.971
   52    H1*    C   5           H1'      CYT   5  35.767   0.550   5.337
   53   1H4     C   5           H41      CYT   5  32.157   0.085   0.193
   54   2H4     C   5           H42      CYT   5  32.588  -1.605   0.050
   55    H5     C   5           H5       CYT   5  33.720  -2.829   1.795
   56    H6     C   5           H6       CYT   5  34.812  -2.657   3.982
   57   1H5*    C   6          1H5*      CYT   6  31.521  -0.544  11.070
   58   2H5*    C   6          2H5*      CYT   6  33.129   0.011  10.617
   59    H4*    C   6           H4'      CYT   6  31.899   1.987  10.489
   60    H3*    C   6           H3'      CYT   6  29.673   0.169   9.636
   61   1H2*    C   6           H2'      CYT   6  28.666   1.777   8.331
   62   2HO*    C   6          OH2*      CYT   6  30.191   3.576   9.904
   63    H1*    C   6           H1'      CYT   6  30.956   2.998   7.372
   64   1H4     C   6           H41      CYT   6  30.334  -2.036   3.246
   65   2H4     C   6           H42      CYT   6  29.465  -0.715   2.499
   66    H5     C   6           H5       CYT   6  31.119  -1.978   5.519
   67    H6     C   6           H6       CYT   6  31.395  -0.586   7.510
   68   1H5*    U   7          1H5*      URI   7  26.333   3.125  11.293
   69   2H5*    U   7          2H5*      URI   7  27.911   3.009  10.459
   70    H4*    U   7           H4'      URI   7  25.898   3.712   9.038
   71    H3*    U   7           H3'      URI   7  25.222   0.872   9.697
   72   1H2*    U   7           H2'      URI   7  24.516   0.408   7.565
   73   2HO*    U   7          OH2*      URI   7  24.225   3.222   7.314
   74    H1*    U   7           H1'      URI   7  26.269   2.144   6.208
   75    H3     U   7           H3       URI   7  27.870  -1.581   4.347
   76    H5     U   7           H5       URI   7  27.803  -2.570   8.443
   77    H6     U   7           H6       URI   7  26.895  -0.366   8.893
   78   1H5*    C   8          1H5*      CYT   8  20.842   1.309   7.742
   79   2H5*    C   8          2H5*      CYT   8  22.488   1.952   7.514
   80    H4*    C   8           H4'      CYT   8  22.142   0.598   5.639
   81    H3*    C   8           H3'      CYT   8  20.769  -1.182   7.607
   82   1H2*    C   8           H2'      CYT   8  21.405  -3.102   6.560
   83   2HO*    C   8          OH2*      CYT   8  21.442  -1.447   4.308
   84    H1*    C   8           H1'      CYT   8  23.850  -2.159   5.521
   85   1H4     C   8           H41      CYT   8  24.790  -5.110  11.382
   86   2H4     C   8           H42      CYT   8  25.465  -6.179  10.173
   87    H5     C   8           H5       CYT   8  23.655  -3.045  10.833
   88    H6     C   8           H6       CYT   8  22.891  -1.597   9.015
   89   1H5*    C   9          1H5*      CYT   9  17.894  -2.778   4.741
   90   2H5*    C   9          2H5*      CYT   9  19.460  -3.138   5.530
   91    H4*    C   9           H4'      CYT   9  17.665  -5.035   5.207
   92    H3*    C   9           H3'      CYT   9  16.417  -3.253   7.148
   93   1H2*    C   9           H2'      CYT   9  16.454  -4.524   8.990
   94   2HO*    C   9          OH2*      CYT   9  16.447  -7.030   8.393
   95    H1*    C   9           H1'      CYT   9  18.302  -6.557   8.345
   96   1H4     C   9           H41      CYT   9  20.629  -1.934  12.502
   97   2H4     C   9           H42      CYT   9  20.774  -3.478  13.312
   98    H5     C   9           H5       CYT   9  19.689  -1.682  10.305
   99    H6     C   9           H6       CYT   9  18.715  -2.858   8.381
  100   1H5*    U  10          1H5*      URI  10  12.166  -6.180   4.990
  101   2H5*    U  10          2H5*      URI  10  12.841  -5.330   6.411
  102    H4*    U  10           H4'      URI  10  10.337  -4.881   5.028
  103    H3*    U  10           H3'      URI  10  12.241  -3.062   4.166
  104   1H2*    U  10           H2'      URI  10  12.687  -1.995   6.105
  105   2HO*    U  10          OH2*      URI  10  11.654  -0.101   6.078
  106    H1*    U  10           H1'      URI  10   9.958  -2.251   7.248
  107    H3     U  10           H3       URI  10  11.611  -0.860  11.186
  108    H5     U  10           H5       URI  10  14.765  -3.167   9.607
  109    H6     U  10           H6       URI  10  13.412  -3.538   7.613
  110   1H5*    C  11          1H5*      CYT  11  12.805  -0.485   1.615
  111   2H5*    C  11          2H5*      CYT  11  12.941  -1.365   3.168
  112    H4*    C  11           H4'      CYT  11  14.735  -2.195   1.874
  113    H3*    C  11           H3'      CYT  11  13.069  -1.470  -0.347
  114   1H2*    C  11           H2'      CYT  11  12.504  -3.415  -1.324
  115   2HO*    C  11          OH2*      CYT  11  14.044  -5.169  -1.422
  116    H1*    C  11           H1'      CYT  11  13.032  -5.395   0.545
  117   1H4     C  11           H41      CYT  11   6.688  -3.511   0.519
  118   2H4     C  11           H42      CYT  11   6.825  -4.173   2.134
  119    H5     C  11           H5       CYT  11   8.924  -4.822   3.119
  120    H6     C  11           H6       CYT  11  11.346  -4.968   2.777
  121   1H5*    G  12          1H5*      GUA  12  17.296  -2.155  -4.419
  122   2H5*    G  12          2H5*      GUA  12  16.880  -0.497  -3.892
  123    H4*    G  12           H4'      GUA  12  19.206  -0.422  -4.009
  124    H3*    G  12           H3'      GUA  12  19.007  -3.270  -3.634
  125   1H2*    G  12           H2'      GUA  12  20.017  -3.623  -1.687
  126   2HO*    G  12          OH2*      GUA  12  22.090  -3.311  -1.692
  127    H1*    G  12           H1'      GUA  12  20.591  -1.004  -0.714
  128    H8     G  12           H8       GUA  12  18.113  -0.321   0.800
  129    H1     G  12           H1       GUA  12  17.681  -6.622   1.613
  130   1H2     G  12           H21      GUA  12  18.938  -7.668   0.118
  131   2H2     G  12           H22      GUA  12  19.889  -6.812  -1.075
  132   1H5*    C  13          1H5*      CYT  13  24.633  -1.954  -3.567
  133   2H5*    C  13          2H5*      CYT  13  24.150  -2.163  -5.276
  134    H4*    C  13           H4'      CYT  13  22.392  -0.589  -5.088
  135    H3*    C  13           H3'      CYT  13  24.868   0.204  -3.596
  136   1H2*    C  13           H2'      CYT  13  23.946   2.138  -2.793
  137   2HO*    C  13          OH2*      CYT  13  21.673   1.876  -4.463
  138    H1*    C  13           H1'      CYT  13  21.374   1.218  -2.370
  139   1H4     C  13           H41      CYT  13  25.123  -0.340   2.847
  140   2H4     C  13           H42      CYT  13  25.008   1.401   2.955
  141    H5     C  13           H5       CYT  13  24.300  -1.601   0.968
  142    H6     C  13           H6       CYT  13  23.093  -1.481  -1.157
  143   1H5*    G  14          1H5*      GUA  14  25.362   4.389  -5.998
  144   2H5*    G  14          2H5*      GUA  14  24.245   3.150  -5.432
  145    H4*    G  14           H4'      GUA  14  24.320   5.054  -3.882
  146    H3*    G  14           H3'      GUA  14  27.250   4.399  -3.901
  147   1H2*    G  14           H2'      GUA  14  27.472   4.904  -1.656
  148   2HO*    G  14          OH2*      GUA  14  25.016   6.287  -1.998
  149    H1*    G  14           H1'      GUA  14  25.027   3.942  -0.805
  150    H8     G  14           H8       GUA  14  26.607   1.417  -3.039
  151    H1     G  14           H1       GUA  14  28.980   1.240   2.868
  152   1H2     G  14           H21      GUA  14  28.450   3.092   3.968
  153   2H2     G  14           H22      GUA  14  27.503   4.374   3.242
  154   1H5*    G  15          1H5*      GUA  15  29.138   9.317  -3.377
  155   2H5*    G  15          2H5*      GUA  15  27.500   8.930  -2.855
  156    H4*    G  15           H4'      GUA  15  28.521   9.590  -0.852
  157    H3*    G  15           H3'      GUA  15  30.952   8.304  -2.046
  158   1H2*    G  15           H2'      GUA  15  31.812   7.693  -0.005
  159   2HO*    G  15          OH2*      GUA  15  30.013   9.637   1.013
  160    H1*    G  15           H1'      GUA  15  29.468   6.961   1.205
  161    H8     G  15           H8       GUA  15  29.517   5.755  -2.371
  162    H1     G  15           H1       GUA  15  32.538   1.867   1.668
  163   1H2     G  15           H21      GUA  15  32.507   4.595   3.833
  164   2H2     G  15           H22      GUA  15  32.980   2.933   3.559
  165   1H5*    U  16          1H5*      URI  16  34.535  11.548  -0.086
  166   2H5*    U  16          2H5*      URI  16  32.957  11.358   0.668
  167    H4*    U  16           H4'      URI  16  34.388  10.607   2.339
  168    H3*    U  16           H3'      URI  16  36.021   9.582   0.043
  169   1H2*    U  16           H2'      URI  16  36.954   7.900   1.319
  170   2HO*    U  16          OH2*      URI  16  36.201   9.559   3.459
  171    H1*    U  16           H1'      URI  16  34.704   7.244   2.763
  172    H3     U  16           H3       URI  16  35.543   3.631   0.154
  173    H5     U  16           H5       URI  16  33.547   6.377  -2.343
  174    H6     U  16           H6       URI  16  33.862   8.061  -0.643
  175   1H5*    G  17          1H5*      GUA  17  40.706  10.302   1.434
  176   2H5*    G  17          2H5*      GUA  17  39.403  10.062   2.588
  177    H4*    G  17           H4'      GUA  17  40.657   8.129   2.825
  178    H3*    G  17           H3'      GUA  17  41.033   8.284  -0.148
  179   1H2*    G  17           H2'      GUA  17  41.418   5.993  -0.233
  180   2HO*    G  17          OH2*      GUA  17  41.903   6.270   2.553
  181    H1*    G  17           H1'      GUA  17  39.579   5.289   1.724
  182    H8     G  17           H8       GUA  17  38.058   7.670  -0.732
  183    H1     G  17           H1       GUA  17  38.146   1.639  -2.802
  184   1H2     G  17           H21      GUA  17  40.495   1.140  -0.277
  185   2H2     G  17           H22      GUA  17  39.581   0.451  -1.600
  186   1H5*    C  18          1H5*      CYT  18  45.864   6.872  -0.611
  187   2H5*    C  18          2H5*      CYT  18  44.903   6.481   0.807
  188    H4*    C  18           H4'      CYT  18  45.221   4.386  -0.082
  189    H3*    C  18           H3'      CYT  18  45.160   5.763  -2.752
  190   1H2*    C  18           H2'      CYT  18  44.534   3.803  -3.794
  191   2HO*    C  18          OH2*      CYT  18  45.586   2.574  -1.467
  192    H1*    C  18           H1'      CYT  18  42.974   2.806  -1.698
  193   1H4     C  18           H41      CYT  18  38.693   6.076  -5.402
  194   2H4     C  18           H42      CYT  18  38.729   4.449  -6.051
  195    H5     C  18           H5       CYT  18  40.304   6.888  -3.785
  196    H6     C  18           H6       CYT  18  42.184   6.261  -2.336
  197   1H5*    C  19          1H5*      CYT  19  49.354   2.956  -4.611
  198   2H5*    C  19          2H5*      CYT  19  48.509   2.477  -3.141
  199    H4*    C  19           H4'      CYT  19  48.177   0.591  -4.463
  200    H3*    C  19           H3'      CYT  19  48.263   2.572  -6.698
  201   1H2*    C  19           H2'      CYT  19  46.871   1.388  -8.046
  202   2HO*    C  19          OH2*      CYT  19  46.329  -0.873  -7.403
  203    H1*    C  19           H1'      CYT  19  45.249   0.290  -6.092
  204   1H4     C  19           H41      CYT  19  42.309   5.976  -7.374
  205   2H4     C  19           H42      CYT  19  41.547   4.812  -8.436
  206    H5     C  19           H5       CYT  19  44.300   5.505  -6.108
  207    H6     C  19           H6       CYT  19  45.933   3.772  -5.506
  208    H3T    C  19           H3T      CYT  19  49.950   0.875  -5.850
   
  Start of MODEL    9
    1   1H5*    G   1          1H5*      GUA   1  33.457   1.340 -15.262
    2   2H5*    G   1          2H5*      GUA   1  34.702   2.590 -15.073
    3    H4*    G   1           H4'      GUA   1  35.204  -0.060 -15.351
    4    H3*    G   1           H3'      GUA   1  34.687   0.534 -12.473
    5   1H2*    G   1           H2'      GUA   1  36.520  -0.567 -11.765
    6   2HO*    G   1          OH2*      GUA   1  36.165  -2.028 -14.078
    7    H1*    G   1           H1'      GUA   1  38.186  -0.028 -13.844
    8    H8     G   1           H8       GUA   1  36.770   3.243 -12.936
    9    H1     G   1           H1       GUA   1  41.566   1.491  -9.134
   10   1H2     G   1           H21      GUA   1  41.890  -0.698  -9.268
   11   2H2     G   1           H22      GUA   1  40.928  -1.725 -10.306
   12    H5T    G   1           H5T      GUA   1  33.243   1.309 -12.997
   13   1H5*    G   2          1H5*      GUA   2  33.785  -4.123 -10.615
   14   2H5*    G   2          2H5*      GUA   2  34.728  -3.891 -12.079
   15    H4*    G   2           H4'      GUA   2  36.326  -4.722 -10.621
   16    H3*    G   2           H3'      GUA   2  34.794  -3.225  -8.517
   17   1H2*    G   2           H2'      GUA   2  36.676  -2.946  -7.210
   18   2HO*    G   2          OH2*      GUA   2  37.683  -5.123  -8.712
   19    H1*    G   2           H1'      GUA   2  38.518  -2.653  -9.273
   20    H8     G   2           H8       GUA   2  35.627  -0.377  -9.931
   21    H1     G   2           H1       GUA   2  39.749   1.948  -5.657
   22   1H2     G   2           H21      GUA   2  41.073   0.325  -4.932
   23   2H2     G   2           H22      GUA   2  40.934  -1.325  -5.496
   24   1H5*    C   3          1H5*      CYT   3  35.520  -6.724  -4.663
   25   2H5*    C   3          2H5*      CYT   3  36.549  -6.691  -6.086
   26    H4*    C   3           H4'      CYT   3  38.088  -6.232  -4.435
   27    H3*    C   3           H3'      CYT   3  35.801  -4.875  -3.040
   28   1H2*    C   3           H2'      CYT   3  37.233  -3.504  -1.857
   29   2HO*    C   3          OH2*      CYT   3  39.547  -3.945  -1.874
   30    H1*    C   3           H1'      CYT   3  39.134  -3.167  -3.848
   31   1H4     C   3           H41      CYT   3  36.082   2.345  -3.845
   32   2H4     C   3           H42      CYT   3  34.904   1.692  -4.962
   33    H5     C   3           H5       CYT   3  34.746  -0.656  -5.488
   34    H6     C   3           H6       CYT   3  35.792  -2.858  -5.188
   35   1H5*    A   4          1H5*      ADE   4  36.434  -6.744   1.793
   36   2H5*    A   4          2H5*      ADE   4  37.793  -6.680   0.681
   37    H4*    A   4           H4'      ADE   4  38.480  -5.314   2.453
   38    H3*    A   4           H3'      ADE   4  35.622  -4.438   2.479
   39   1H2*    A   4           H2'      ADE   4  36.172  -2.358   3.340
   40   2HO*    A   4          OH2*      ADE   4  38.540  -2.104   3.999
   41    H1*    A   4           H1'      ADE   4  38.622  -2.088   2.021
   42    H8     A   4           H8       ADE   4  35.810  -2.998  -0.333
   43   1H6     A   4           H61      ADE   4  34.902   3.061  -0.971
   44   2H6     A   4           H62      ADE   4  34.579   1.485  -1.656
   45    H2     A   4           H2       ADE   4  37.602   2.434   2.554
   46   1H5*    C   5          1H5*      CYT   5  34.673  -3.885   7.442
   47   2H5*    C   5          2H5*      CYT   5  36.310  -3.789   6.811
   48    H4*    C   5           H4'      CYT   5  35.964  -1.636   7.593
   49    H3*    C   5           H3'      CYT   5  33.138  -2.040   6.669
   50   1H2*    C   5           H2'      CYT   5  32.833   0.239   6.369
   51   2HO*    C   5          OH2*      CYT   5  35.122   0.477   8.039
   52    H1*    C   5           H1'      CYT   5  35.375   0.807   5.421
   53   1H4     C   5           H41      CYT   5  31.905   0.746   0.150
   54   2H4     C   5           H42      CYT   5  32.078  -0.992   0.051
   55    H5     C   5           H5       CYT   5  32.975  -2.327   1.841
   56    H6     C   5           H6       CYT   5  34.045  -2.272   4.052
   57   1H5*    C   6          1H5*      CYT   6  30.713  -0.033  10.938
   58   2H5*    C   6          2H5*      CYT   6  32.383   0.390  10.569
   59    H4*    C   6           H4'      CYT   6  31.337   2.473  10.436
   60    H3*    C   6           H3'      CYT   6  29.004   0.873   9.443
   61   1H2*    C   6           H2'      CYT   6  28.224   2.556   8.084
   62   2HO*    C   6          OH2*      CYT   6  29.895   4.257   9.644
   63    H1*    C   6           H1'      CYT   6  30.652   3.574   7.264
   64   1H4     C   6           H41      CYT   6  29.841  -1.424   3.118
   65   2H4     C   6           H42      CYT   6  29.179  -0.027   2.303
   66    H5     C   6           H5       CYT   6  30.478  -1.419   5.435
   67    H6     C   6           H6       CYT   6  30.746  -0.043   7.443
   68   1H5*    U   7          1H5*      URI   7  25.028   2.622  11.955
   69   2H5*    U   7          2H5*      URI   7  26.361   3.610  11.291
   70    H4*    U   7           H4'      URI   7  24.443   4.068   9.948
   71    H3*    U   7           H3'      URI   7  24.090   1.096  10.048
   72   1H2*    U   7           H2'      URI   7  23.210   1.003   7.934
   73   2HO*    U   7          OH2*      URI   7  22.725   3.801   8.184
   74    H1*    U   7           H1'      URI   7  24.635   3.182   6.849
   75    H3     U   7           H3       URI   7  25.795  -0.106   4.034
   76    H5     U   7           H5       URI   7  27.233  -1.487   7.745
   77    H6     U   7           H6       URI   7  26.278   0.494   8.777
   78   1H5*    C   8          1H5*      CYT   8  19.598   0.508   8.694
   79   2H5*    C   8          2H5*      CYT   8  20.803   1.756   8.272
   80    H4*    C   8           H4'      CYT   8  20.761   0.431   6.371
   81    H3*    C   8           H3'      CYT   8  20.345  -1.794   8.322
   82   1H2*    C   8           H2'      CYT   8  21.446  -3.328   7.032
   83   2HO*    C   8          OH2*      CYT   8  21.575  -3.209   4.858
   84    H1*    C   8           H1'      CYT   8  23.288  -1.557   5.857
   85   1H4     C   8           H41      CYT   8  25.802  -4.246  11.372
   86   2H4     C   8           H42      CYT   8  26.690  -4.938  10.033
   87    H5     C   8           H5       CYT   8  23.961  -2.714  11.084
   88    H6     C   8           H6       CYT   8  22.574  -1.528   9.457
   89   1H5*    C   9          1H5*      CYT   9  17.874  -3.784   5.175
   90   2H5*    C   9          2H5*      CYT   9  19.525  -3.799   5.863
   91    H4*    C   9           H4'      CYT   9  18.494  -6.011   4.961
   92    H3*    C   9           H3'      CYT   9  16.738  -5.394   7.164
   93   1H2*    C   9           H2'      CYT   9  17.252  -7.005   8.637
   94   2HO*    C   9          OH2*      CYT   9  16.454  -8.648   7.315
   95    H1*    C   9           H1'      CYT   9  19.718  -7.984   7.725
   96   1H4     C   9           H41      CYT   9  20.253  -3.808  12.851
   97   2H4     C   9           H42      CYT   9  20.816  -5.371  13.401
   98    H5     C   9           H5       CYT   9  19.407  -3.416  10.632
   99    H6     C   9           H6       CYT   9  18.878  -4.443   8.465
  100   1H5*    U  10          1H5*      URI  10  12.067  -7.228   4.582
  101   2H5*    U  10          2H5*      URI  10  12.337  -6.939   6.329
  102    H4*    U  10           H4'      URI  10  11.035  -5.215   4.602
  103    H3*    U  10           H3'      URI  10  13.677  -4.842   3.956
  104   1H2*    U  10           H2'      URI  10  14.479  -4.095   5.941
  105   2HO*    U  10          OH2*      URI  10  13.215  -1.630   5.346
  106    H1*    U  10           H1'      URI  10  12.039  -2.585   6.687
  107    H3     U  10           H3       URI  10  13.750  -2.108  10.825
  108    H5     U  10           H5       URI  10  15.031  -5.967   9.698
  109    H6     U  10           H6       URI  10  13.934  -5.625   7.541
  110   1H5*    C  11          1H5*      CYT  11  15.595  -3.246   1.175
  111   2H5*    C  11          2H5*      CYT  11  15.052  -4.117   2.639
  112    H4*    C  11           H4'      CYT  11  15.831  -5.833   1.199
  113    H3*    C  11           H3'      CYT  11  15.382  -4.010  -0.865
  114   1H2*    C  11           H2'      CYT  11  13.333  -4.414  -1.676
  115   2HO*    C  11          OH2*      CYT  11  12.914  -6.476  -2.579
  116    H1*    C  11           H1'      CYT  11  12.368  -6.720  -0.314
  117   1H4     C  11           H41      CYT  11   8.988  -1.214   1.127
  118   2H4     C  11           H42      CYT  11   8.738  -2.143   2.588
  119    H5     C  11           H5       CYT  11   9.864  -4.221   3.035
  120    H6     C  11           H6       CYT  11  11.523  -5.825   2.218
  121   1H5*    G  12          1H5*      GUA  12  18.543  -4.289  -3.514
  122   2H5*    G  12          2H5*      GUA  12  16.924  -3.538  -3.643
  123    H4*    G  12           H4'      GUA  12  18.168  -1.665  -4.013
  124    H3*    G  12           H3'      GUA  12  20.310  -3.262  -2.753
  125   1H2*    G  12           H2'      GUA  12  21.288  -1.658  -1.519
  126   2HO*    G  12          OH2*      GUA  12  20.203   0.487  -2.983
  127    H1*    G  12           H1'      GUA  12  19.215   0.169  -1.164
  128    H8     G  12           H8       GUA  12  18.209  -0.286   1.275
  129    H1     G  12           H1       GUA  12  21.862  -5.468   1.897
  130   1H2     G  12           H21      GUA  12  22.731  -6.019  -0.065
  131   2H2     G  12           H22      GUA  12  22.415  -5.108  -1.524
  132   1H5*    C  13          1H5*      CYT  13  23.488   0.271  -6.081
  133   2H5*    C  13          2H5*      CYT  13  21.719   0.064  -6.225
  134    H4*    C  13           H4'      CYT  13  21.734   2.322  -5.921
  135    H3*    C  13           H3'      CYT  13  24.381   1.834  -4.602
  136   1H2*    C  13           H2'      CYT  13  24.267   3.784  -3.389
  137   2HO*    C  13          OH2*      CYT  13  22.693   5.426  -3.940
  138    H1*    C  13           H1'      CYT  13  21.506   3.819  -2.971
  139   1H4     C  13           H41      CYT  13  24.373   0.445   1.931
  140   2H4     C  13           H42      CYT  13  24.778   2.108   2.293
  141    H5     C  13           H5       CYT  13  23.293  -0.229  -0.113
  142    H6     C  13           H6       CYT  13  22.304   0.536  -2.214
  143   1H5*    G  14          1H5*      GUA  14  26.253   6.251  -5.858
  144   2H5*    G  14          2H5*      GUA  14  24.614   5.650  -5.646
  145    H4*    G  14           H4'      GUA  14  24.903   7.027  -3.790
  146    H3*    G  14           H3'      GUA  14  27.718   5.983  -3.809
  147   1H2*    G  14           H2'      GUA  14  27.941   6.305  -1.535
  148   2HO*    G  14          OH2*      GUA  14  25.795   8.108  -1.895
  149    H1*    G  14           H1'      GUA  14  25.337   5.654  -0.826
  150    H8     G  14           H8       GUA  14  26.678   2.986  -3.062
  151    H1     G  14           H1       GUA  14  28.804   2.499   2.923
  152   1H2     G  14           H21      GUA  14  28.441   4.399   4.014
  153   2H2     G  14           H22      GUA  14  27.670   5.776   3.263
  154   1H5*    G  15          1H5*      GUA  15  30.335  10.543  -3.110
  155   2H5*    G  15          2H5*      GUA  15  28.665  10.403  -2.571
  156    H4*    G  15           H4'      GUA  15  29.816  10.877  -0.583
  157    H3*    G  15           H3'      GUA  15  31.978   9.172  -1.786
  158   1H2*    G  15           H2'      GUA  15  32.717   8.430   0.266
  159   2HO*    G  15          OH2*      GUA  15  31.666   9.424   2.224
  160    H1*    G  15           H1'      GUA  15  30.279   8.105   1.458
  161    H8     G  15           H8       GUA  15  30.133   6.935  -2.130
  162    H1     G  15           H1       GUA  15  32.535   2.595   1.870
  163   1H2     G  15           H21      GUA  15  32.864   5.269   4.080
  164   2H2     G  15           H22      GUA  15  33.098   3.561   3.787
  165   1H5*    U  16          1H5*      URI  16  36.130  11.930  -0.044
  166   2H5*    U  16          2H5*      URI  16  34.582  12.015   0.788
  167    H4*    U  16           H4'      URI  16  35.993  11.159   2.443
  168    H3*    U  16           H3'      URI  16  37.312   9.780   0.128
  169   1H2*    U  16           H2'      URI  16  38.044   8.026   1.426
  170   2HO*    U  16          OH2*      URI  16  37.645   9.843   3.537
  171    H1*    U  16           H1'      URI  16  35.801   7.744   2.973
  172    H3     U  16           H3       URI  16  35.908   4.058   0.336
  173    H5     U  16           H5       URI  16  34.213   7.087  -2.055
  174    H6     U  16           H6       URI  16  34.893   8.699  -0.384
  175   1H5*    G  17          1H5*      GUA  17  42.150   9.830   1.066
  176   2H5*    G  17          2H5*      GUA  17  40.960   9.856   2.359
  177    H4*    G  17           H4'      GUA  17  41.889   7.758   2.611
  178    H3*    G  17           H3'      GUA  17  42.109   7.757  -0.378
  179   1H2*    G  17           H2'      GUA  17  42.056   5.432  -0.430
  180   2HO*    G  17          OH2*      GUA  17  42.908   5.692   2.242
  181    H1*    G  17           H1'      GUA  17  40.272   5.076   1.659
  182    H8     G  17           H8       GUA  17  38.959   7.661  -0.696
  183    H1     G  17           H1       GUA  17  37.917   1.691  -2.686
  184   1H2     G  17           H21      GUA  17  40.404   0.831  -0.400
  185   2H2     G  17           H22      GUA  17  39.268   0.291  -1.617
  186   1H5*    C  18          1H5*      CYT  18  46.500   5.233  -0.856
  187   2H5*    C  18          2H5*      CYT  18  45.507   5.149   0.592
  188    H4*    C  18           H4'      CYT  18  45.319   2.988  -0.177
  189    H3*    C  18           H3'      CYT  18  45.539   4.195  -2.923
  190   1H2*    C  18           H2'      CYT  18  44.469   2.377  -3.859
  191   2HO*    C  18          OH2*      CYT  18  45.241   1.072  -1.463
  192    H1*    C  18           H1'      CYT  18  42.731   1.892  -1.727
  193   1H4     C  18           H41      CYT  18  39.377   5.917  -5.630
  194   2H4     C  18           H42      CYT  18  39.014   4.302  -6.199
  195    H5     C  18           H5       CYT  18  41.143   6.392  -4.042
  196    H6     C  18           H6       CYT  18  42.800   5.401  -2.533
  197   1H5*    C  19          1H5*      CYT  19  48.806   0.339  -4.683
  198   2H5*    C  19          2H5*      CYT  19  47.874   0.152  -3.199
  199    H4*    C  19           H4'      CYT  19  47.024  -1.606  -4.458
  200    H3*    C  19           H3'      CYT  19  47.641   0.192  -6.766
  201   1H2*    C  19           H2'      CYT  19  45.966  -0.611  -8.073
  202   2HO*    C  19          OH2*      CYT  19  45.770  -2.825  -6.286
  203    H1*    C  19           H1'      CYT  19  44.106  -1.118  -6.097
  204   1H4     C  19           H41      CYT  19  43.034   5.139  -7.659
  205   2H4     C  19           H42      CYT  19  41.957   4.213  -8.679
  206    H5     C  19           H5       CYT  19  44.772   4.143  -6.329
  207    H6     C  19           H6       CYT  19  45.797   2.025  -5.621
  208    H3T    C  19           H3T      CYT  19  49.118  -1.443  -6.398
   
  Start of MODEL   10
    1   1H5*    G   1          1H5*      GUA   1  33.302   0.806 -14.942
    2   2H5*    G   1          2H5*      GUA   1  34.219   2.315 -14.754
    3    H4*    G   1           H4'      GUA   1  35.323  -0.143 -15.036
    4    H3*    G   1           H3'      GUA   1  34.684   0.324 -12.156
    5   1H2*    G   1           H2'      GUA   1  36.699  -0.409 -11.463
    6   2HO*    G   1          OH2*      GUA   1  36.638  -1.864 -13.809
    7    H1*    G   1           H1'      GUA   1  38.208   0.489 -13.542
    8    H8     G   1           H8       GUA   1  36.205   3.400 -12.504
    9    H1     G   1           H1       GUA   1  41.251   2.405  -8.747
   10   1H2     G   1           H21      GUA   1  41.977   0.322  -8.985
   11   2H2     G   1           H22      GUA   1  41.220  -0.815 -10.076
   12    H5T    G   1           H5T      GUA   1  33.076   0.729 -12.687
   13   1H5*    G   2          1H5*      GUA   2  34.437  -4.457 -10.388
   14   2H5*    G   2          2H5*      GUA   2  35.392  -4.064 -11.808
   15    H4*    G   2           H4'      GUA   2  37.000  -4.787 -10.276
   16    H3*    G   2           H3'      GUA   2  35.265  -3.407  -8.258
   17   1H2*    G   2           H2'      GUA   2  37.053  -2.944  -6.882
   18   2HO*    G   2          OH2*      GUA   2  38.896  -4.488  -8.312
   19    H1*    G   2           H1'      GUA   2  38.965  -2.550  -8.875
   20    H8     G   2           H8       GUA   2  35.883  -0.536  -9.593
   21    H1     G   2           H1       GUA   2  39.760   2.206  -5.331
   22   1H2     G   2           H21      GUA   2  41.243   0.727  -4.600
   23   2H2     G   2           H22      GUA   2  41.278  -0.927  -5.169
   24   1H5*    C   3          1H5*      CYT   3  36.382  -6.753  -4.368
   25   2H5*    C   3          2H5*      CYT   3  37.389  -6.598  -5.801
   26    H4*    C   3           H4'      CYT   3  38.877  -5.928  -4.174
   27    H3*    C   3           H3'      CYT   3  36.444  -4.873  -2.761
   28   1H2*    C   3           H2'      CYT   3  37.722  -3.358  -1.572
   29   2HO*    C   3          OH2*      CYT   3  40.055  -3.541  -1.564
   30    H1*    C   3           H1'      CYT   3  39.564  -2.818  -3.587
   31   1H4     C   3           H41      CYT   3  36.059   2.417  -3.418
   32   2H4     C   3           H42      CYT   3  34.953   1.701  -4.570
   33    H5     C   3           H5       CYT   3  34.988  -0.644  -5.151
   34    H6     C   3           H6       CYT   3  36.200  -2.761  -4.889
   35   1H5*    A   4          1H5*      ADE   4  37.234  -6.672   2.040
   36   2H5*    A   4          2H5*      ADE   4  38.583  -6.452   0.936
   37    H4*    A   4           H4'      ADE   4  39.077  -4.998   2.698
   38    H3*    A   4           H3'      ADE   4  36.132  -4.446   2.677
   39   1H2*    A   4           H2'      ADE   4  36.461  -2.318   3.544
   40   2HO*    A   4          OH2*      ADE   4  38.713  -1.777   4.270
   41    H1*    A   4           H1'      ADE   4  38.870  -1.800   2.230
   42    H8     A   4           H8       ADE   4  36.178  -3.007  -0.136
   43   1H6     A   4           H61      ADE   4  34.621   2.916  -0.778
   44   2H6     A   4           H62      ADE   4  34.479   1.313  -1.464
   45    H2     A   4           H2       ADE   4  37.352   2.582   2.771
   46   1H5*    C   5          1H5*      CYT   5  35.151  -4.033   7.709
   47   2H5*    C   5          2H5*      CYT   5  36.779  -3.811   7.083
   48    H4*    C   5           H4'      CYT   5  36.302  -1.698   7.905
   49    H3*    C   5           H3'      CYT   5  33.492  -2.289   7.030
   50   1H2*    C   5           H2'      CYT   5  33.016  -0.047   6.751
   51   2HO*    C   5          OH2*      CYT   5  35.299   0.363   8.392
   52    H1*    C   5           H1'      CYT   5  35.497   0.732   5.792
   53   1H4     C   5           H41      CYT   5  31.972   0.557   0.570
   54   2H4     C   5           H42      CYT   5  32.317  -1.149   0.396
   55    H5     C   5           H5       CYT   5  33.345  -2.469   2.131
   56    H6     C   5           H6       CYT   5  34.421  -2.399   4.336
   57   1H5*    C   6          1H5*      CYT   6  31.005  -0.202  11.202
   58   2H5*    C   6          2H5*      CYT   6  32.664   0.256  10.824
   59    H4*    C   6           H4'      CYT   6  31.560   2.293  10.576
   60    H3*    C   6           H3'      CYT   6  29.269   0.577   9.678
   61   1H2*    C   6           H2'      CYT   6  28.416   2.191   8.278
   62   2HO*    C   6          OH2*      CYT   6  29.439   4.387   8.382
   63    H1*    C   6           H1'      CYT   6  30.802   3.238   7.378
   64   1H4     C   6           H41      CYT   6  29.989  -1.902   3.428
   65   2H4     C   6           H42      CYT   6  29.239  -0.554   2.602
   66    H5     C   6           H5       CYT   6  30.698  -1.808   5.725
   67    H6     C   6           H6       CYT   6  31.001  -0.360   7.674
   68   1H5*    U   7          1H5*      URI   7  25.659   3.513  10.936
   69   2H5*    U   7          2H5*      URI   7  27.345   3.676  10.361
   70    H4*    U   7           H4'      URI   7  25.761   4.285   8.588
   71    H3*    U   7           H3'      URI   7  24.641   1.588   9.248
   72   1H2*    U   7           H2'      URI   7  24.164   1.098   7.063
   73   2HO*    U   7          OH2*      URI   7  24.658   3.735   6.186
   74    H1*    U   7           H1'      URI   7  26.313   2.451   5.887
   75    H3     U   7           H3       URI   7  27.464  -1.665   4.587
   76    H5     U   7           H5       URI   7  27.088  -2.086   8.763
   77    H6     U   7           H6       URI   7  26.415   0.243   8.871
   78   1H5*    C   8          1H5*      CYT   8  20.598   2.023   6.686
   79   2H5*    C   8          2H5*      CYT   8  22.266   2.592   6.408
   80    H4*    C   8           H4'      CYT   8  21.885   0.951   4.761
   81    H3*    C   8           H3'      CYT   8  20.567  -0.512   7.011
   82   1H2*    C   8           H2'      CYT   8  21.247  -2.564   6.282
   83   2HO*    C   8          OH2*      CYT   8  21.177  -1.307   3.803
   84    H1*    C   8           H1'      CYT   8  23.675  -1.748   5.110
   85   1H4     C   8           H41      CYT   8  24.565  -3.646  11.403
   86   2H4     C   8           H42      CYT   8  25.395  -4.816  10.402
   87    H5     C   8           H5       CYT   8  23.301  -1.795  10.501
   88    H6     C   8           H6       CYT   8  22.542  -0.693   8.453
   89   1H5*    C   9          1H5*      CYT   9  16.962  -2.926   4.926
   90   2H5*    C   9          2H5*      CYT   9  18.698  -2.799   4.511
   91    H4*    C   9           H4'      CYT   9  18.220  -5.063   5.215
   92    H3*    C   9           H3'      CYT   9  16.602  -3.710   7.202
   93   1H2*    C   9           H2'      CYT   9  17.533  -4.383   9.090
   94   2HO*    C   9          OH2*      CYT   9  18.550  -6.811   8.565
   95    H1*    C   9           H1'      CYT   9  19.950  -5.620   8.193
   96   1H4     C   9           H41      CYT   9  20.791   0.049  11.541
   97   2H4     C   9           H42      CYT   9  21.834  -1.146  12.277
   98    H5     C   9           H5       CYT   9  19.339  -0.429   9.684
   99    H6     C   9           H6       CYT   9  18.606  -2.150   8.091
  100   1H5*    U  10          1H5*      URI  10  15.015  -5.579   4.980
  101   2H5*    U  10          2H5*      URI  10  13.855  -6.882   4.605
  102    H4*    U  10           H4'      URI  10  12.430  -5.348   3.848
  103    H3*    U  10           H3'      URI  10  14.713  -3.726   4.179
  104   1H2*    U  10           H2'      URI  10  14.118  -2.618   6.038
  105   2HO*    U  10          OH2*      URI  10  13.440  -0.692   5.402
  106    H1*    U  10           H1'      URI  10  11.207  -2.768   5.529
  107    H3     U  10           H3       URI  10  10.552  -1.193   9.696
  108    H5     U  10           H5       URI  10  13.944  -3.662  10.128
  109    H6     U  10           H6       URI  10  13.828  -4.126   7.739
  110   1H5*    C  11          1H5*      CYT  11  16.309  -3.341   1.256
  111   2H5*    C  11          2H5*      CYT  11  14.926  -4.059   2.137
  112    H4*    C  11           H4'      CYT  11  15.850  -5.252   0.001
  113    H3*    C  11           H3'      CYT  11  15.106  -2.787  -1.141
  114   1H2*    C  11           H2'      CYT  11  12.940  -2.972  -1.664
  115   2HO*    C  11          OH2*      CYT  11  13.050  -5.542  -2.711
  116    H1*    C  11           H1'      CYT  11  12.213  -5.645  -0.953
  117   1H4     C  11           H41      CYT  11   8.967  -1.048   2.525
  118   2H4     C  11           H42      CYT  11   8.960  -2.382   3.656
  119    H5     C  11           H5       CYT  11  10.185  -4.420   3.291
  120    H6     C  11           H6       CYT  11  11.753  -5.585   1.823
  121   1H5*    G  12          1H5*      GUA  12  18.632  -2.509  -4.709
  122   2H5*    G  12          2H5*      GUA  12  18.511  -1.684  -3.125
  123    H4*    G  12           H4'      GUA  12  20.817  -2.044  -3.417
  124    H3*    G  12           H3'      GUA  12  19.938  -4.329  -4.963
  125   1H2*    G  12           H2'      GUA  12  20.729  -6.024  -3.778
  126   2HO*    G  12          OH2*      GUA  12  22.823  -5.119  -4.733
  127    H1*    G  12           H1'      GUA  12  22.051  -4.628  -1.591
  128    H8     G  12           H8       GUA  12  19.867  -4.800   0.481
  129    H1     G  12           H1       GUA  12  18.688 -10.408  -2.296
  130   1H2     G  12           H21      GUA  12  19.617 -10.469  -4.306
  131   2H2     G  12           H22      GUA  12  20.530  -9.127  -4.962
  132   1H5*    C  13          1H5*      CYT  13  22.873  -1.780  -4.539
  133   2H5*    C  13          2H5*      CYT  13  24.050  -0.893  -5.554
  134    H4*    C  13           H4'      CYT  13  21.867   0.861  -5.280
  135    H3*    C  13           H3'      CYT  13  24.604   0.622  -4.074
  136   1H2*    C  13           H2'      CYT  13  24.201   2.222  -2.483
  137   2HO*    C  13          OH2*      CYT  13  22.847   3.393  -4.371
  138    H1*    C  13           H1'      CYT  13  21.554   1.611  -1.949
  139   1H4     C  13           H41      CYT  13  25.615  -2.318   1.528
  140   2H4     C  13           H42      CYT  13  25.588  -0.821   2.432
  141    H5     C  13           H5       CYT  13  24.556  -2.580  -0.619
  142    H6     C  13           H6       CYT  13  23.157  -1.515  -2.316
  143   1H5*    G  14          1H5*      GUA  14  25.538   5.493  -5.709
  144   2H5*    G  14          2H5*      GUA  14  24.238   4.371  -5.322
  145    H4*    G  14           H4'      GUA  14  24.474   5.935  -3.500
  146    H3*    G  14           H3'      GUA  14  27.366   5.167  -3.703
  147   1H2*    G  14           H2'      GUA  14  27.673   5.329  -1.429
  148   2HO*    G  14          OH2*      GUA  14  26.099   6.400  -0.086
  149    H1*    G  14           H1'      GUA  14  25.131   4.487  -0.649
  150    H8     G  14           H8       GUA  14  26.562   1.977  -3.005
  151    H1     G  14           H1       GUA  14  28.869   1.432   2.902
  152   1H2     G  14           H21      GUA  14  28.494   3.302   4.041
  153   2H2     G  14           H22      GUA  14  27.665   4.674   3.341
  154   1H5*    G  15          1H5*      GUA  15  29.441  10.032  -2.739
  155   2H5*    G  15          2H5*      GUA  15  27.805   9.666  -2.206
  156    H4*    G  15           H4'      GUA  15  28.899  10.245  -0.211
  157    H3*    G  15           H3'      GUA  15  31.241   8.822  -1.440
  158   1H2*    G  15           H2'      GUA  15  32.060   8.129   0.595
  159   2HO*    G  15          OH2*      GUA  15  30.972   8.960   2.575
  160    H1*    G  15           H1'      GUA  15  29.679   7.522   1.790
  161    H8     G  15           H8       GUA  15  29.695   6.408  -1.820
  162    H1     G  15           H1       GUA  15  32.444   2.261   2.151
  163   1H2     G  15           H21      GUA  15  32.524   4.922   4.394
  164   2H2     G  15           H22      GUA  15  32.914   3.246   4.077
  165   1H5*    U  16          1H5*      URI  16  35.046  11.942   0.454
  166   2H5*    U  16          2H5*      URI  16  33.482  11.839   1.250
  167    H4*    U  16           H4'      URI  16  34.950  11.093   2.910
  168    H3*    U  16           H3'      URI  16  36.434   9.894   0.596
  169   1H2*    U  16           H2'      URI  16  37.305   8.188   1.875
  170   2HO*    U  16          OH2*      URI  16  37.102   8.209   4.186
  171    H1*    U  16           H1'      URI  16  35.072   7.668   3.374
  172    H3     U  16           H3       URI  16  35.587   4.063   0.667
  173    H5     U  16           H5       URI  16  33.647   6.963  -1.696
  174    H6     U  16           H6       URI  16  34.131   8.595   0.024
  175   1H5*    G  17          1H5*      GUA  17  41.236  10.386   1.594
  176   2H5*    G  17          2H5*      GUA  17  40.038  10.248   2.871
  177    H4*    G  17           H4'      GUA  17  41.182   8.245   3.051
  178    H3*    G  17           H3'      GUA  17  41.376   8.368   0.065
  179   1H2*    G  17           H2'      GUA  17  41.519   6.051  -0.082
  180   2HO*    G  17          OH2*      GUA  17  42.342   6.266   2.608
  181    H1*    G  17           H1'      GUA  17  39.798   5.456   2.006
  182    H8     G  17           H8       GUA  17  38.267   8.020  -0.250
  183    H1     G  17           H1       GUA  17  37.668   2.061  -2.443
  184   1H2     G  17           H21      GUA  17  40.212   1.314  -0.180
  185   2H2     G  17           H22      GUA  17  39.121   0.731  -1.416
  186   1H5*    C  18          1H5*      CYT  18  46.012   6.255  -0.439
  187   2H5*    C  18          2H5*      CYT  18  45.008   6.045   0.988
  188    H4*    C  18           H4'      CYT  18  45.040   3.894   0.181
  189    H3*    C  18           H3'      CYT  18  45.183   5.163  -2.540
  190   1H2*    C  18           H2'      CYT  18  44.306   3.265  -3.518
  191   2HO*    C  18          OH2*      CYT  18  45.216   2.006  -1.155
  192    H1*    C  18           H1'      CYT  18  42.617   2.563  -1.399
  193   1H4     C  18           H41      CYT  18  38.822   6.202  -5.278
  194   2H4     C  18           H42      CYT  18  38.670   4.563  -5.880
  195    H5     C  18           H5       CYT  18  40.494   6.861  -3.655
  196    H6     C  18           H6       CYT  18  42.274   6.059  -2.163
  197   1H5*    C  19          1H5*      CYT  19  48.880   1.756  -4.339
  198   2H5*    C  19          2H5*      CYT  19  47.976   1.437  -2.861
  199    H4*    C  19           H4'      CYT  19  47.327  -0.373  -4.160
  200    H3*    C  19           H3'      CYT  19  47.714   1.538  -6.427
  201   1H2*    C  19           H2'      CYT  19  46.157   0.533  -7.750
  202   2HO*    C  19          OH2*      CYT  19  46.680  -1.716  -6.130
  203    H1*    C  19           H1'      CYT  19  44.420  -0.298  -5.750
  204   1H4     C  19           H41      CYT  19  42.172   5.638  -7.258
  205   2H4     C  19           H42      CYT  19  41.284   4.533  -8.282
  206    H5     C  19           H5       CYT  19  44.105   4.983  -5.975
  207    H6     C  19           H6       CYT  19  45.525   3.094  -5.307
  208    H3T    C  19           H3T      CYT  19  48.232  -1.212  -6.562
   
   
  No H/Q in entry =         208