*HEADER   RIBONUCLEIC ACID                        08-MAY-97   1AJT    
*TITLE    FIVE-NUCLEOTIDE BULGE LOOP FROM TETRAHYMENA THERMOPHILA     
*TITLE   2 GROUP I INTRON, NMR, 1 STRUCTURE                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FIVE-NUCLEOTIDE RNA BULGE;                       
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: IN VITRO TRANSCRIPT FROM OLIGONUCLEOTIDE        
*SOURCE  3 TEMPLATE USING T7 RNA POLYMERASE                           
*KEYWDS   RNA BULGE LOOP, GROUP I INTRON, RIBONUCLEIC ACID            
*EXPDTA   NMR, 1 STRUCTURE                                            
*AUTHOR   K.J.LUEBKE,S.M.LANDRY,I.TINOCO JUNIOR                       
*REVDAT  1   20-AUG-97 1AJT    0                                      

{Distance Constraints}


{constrain base pair hydrogen bonds}

assign (residue 2 and name h1)(residue 24 and name n3)1.9 0.1 0.1
assign (residue 2 and name h21)(residue 24 and name o2)2.0 0.1 0.1
assign (residue 2 and name o6)(residue 24 and name h41)1.7 0.1 0.1
assign (residue 2 and name h21)(residue 24 and name n3)3.0 0.1 0.1

assign (residue 3 and name h1)(residue 23 and name n3)1.9 0.1 0.1
assign (residue 3 and name h21)(residue 23 and name o2)2.0 0.1 0.1
assign (residue 3 and name o6)(residue 23 and name h41)1.7 0.1 0.1
assign (residue 3 and name h21)(residue 23 and name n3)3.0 0.1 0.1

assign (residue 11 and name n3)(residue 20 and name h1)1.9 0.1 0.1
assign (residue 11 and name o2)(residue 20 and name h21)2.0 0.1 0.1
assign (residue 11 and name h41)(residue 20 and name o6)1.7 0.1 0.1
assign (residue 11 and name n3)(residue 20 and name h21)3.0 0.1 0.1

assign (residue 13 and name n3)(residue 18 and name h1)1.9 0.1 0.1
assign (residue 13 and name o2)(residue 18 and name h21)2.0 0.1 0.1
assign (residue 13 and name h41)(residue 18 and name o6)1.7 0.1 0.1
assign (residue 13 and name n3)(residue 18 and name h21)3.0 0.1 0.1

assign (residue 12 and name h3)(residue 19 and name n1)1.9 0.1 0.1
assign (residue 12 and name o4)(residue 19 and name h61)1.8 0.1 0.1
assign (residue 12 and name o2)(residue 19 and name h2)3.2 0.1 0.1
assign (residue 12 and name h3)(residue 19 and name h2)2.9 0.1 0.1

assign (residue 10 and name o6)(residue 21 and name h3)1.9 0.1 0.1
assign (residue 10 and name h1)(residue 21 and name o2)1.8 0.1 0.1
assign (residue 10 and name o6)(residue 21 and name o2)3.7 0.1 0.1 
assign (residue 10 and name n1)(residue 21 and name n3)3.7 0.1 0.1
assign (residue 10 and name h1)(residue 21 and name h3)2.6 0.1 0.1

{ to keep base pairs planar and A-form}

assign (residue 2 and name o6)(residue 3 and name o6) 3.0 0.0 3.5
assign (residue 2 and name h22)(residue 3 and name h22) 3.0 0.0 3.5
assign (residue 2 and name h1)(residue 23 and name h41) 3.0 0.0 3.5
assign (residue 3 and name h1)(residue 24 and name h41) 3.0 0.0 3.5
assign (residue 12 and name h3)(residue 20 and name h22) 3.0 0.0 3.5
assign (residue 19 and name h61)(residue 11 and name h41) 3.0 0.0 3.5
assign (residue 19 and name h61)(residue 13 and name h41) 3.0 0.0 3.5

assign (residue 23 and name h42)(residue 24 and name h42) 3.0 0.0 3.5
assign (residue 18 and name h21)(residue 19 and name h2) 3.0 0.0 3.5
assign (residue 18 and name h1)(residue 19 and name h2) 3.0 0.0 3.5
assign (residue 18 and name h1)(residue 19 and name h61) 3.0 0.0 3.5
assign (residue 19 and name h61)(residue 20 and name h1) 3.0 0.0 3.5
assign (residue 11 and name h41)(residue 12 and name h3) 3.0 0.0 3.5

{water noesy peaks}

assign (residue 23 and name h5)(residue 23 and name h41)1.8 0.0 3.2
assign (residue 23 and name h5)(residue 23 and name h42)1.8 0.0 3.2
assign (residue 3 and name h1)(residue 23 and name h41)1.8 0.0 3.2
assign (residue 3 and name h1)(residue 23 and name h42) 1.8 0.0 3.2
assign (residue 11 and name h5)(residue 11 and name h41)1.8 0.0 3.2 
assign (residue 11 and name h5)(residue 11 and name h42)1.8 0.0 3.2
assign (residue 20 and name h1)(residue 11 and name h41)1.8 0.0 3.2 
assign (residue 20 and name h1)(residue 11 and name h42)1.8 0.0 3.2
assign (residue 13 and name h5)(residue 13 and name h41)1.8 0.0 3.2
assign (residue 13 and name h5)(residue 13 and name h42)1.8 0.0 3.2
assign (residue 24 and name h5)(residue 24 and name h41)1.8 0.0 3.2
assign (residue 24 and name h5)(residue 24 and name h42)1.8 0.0 3.2
assign (residue 2 and name h1)(residue 24 and name h41) 1.8 0.0 3.2
assign (residue 2 and name h1)(residue 24 and name h42) 1.8 0.0 3.2
assign (residue 12 and name h3)(residue 13 and name h41) 1.8 0.0 3.2
assign (residue 12 and name h3)(residue 13 and name h42) 1.8 0.0 3.2
assign (residue 2 and name h1)(residue 2 and name h21) 1.8 0.0 3.2
assign (residue 2 and name h1)(residue 2 and name h22) 1.8 0.0 3.2
assign (residue 18 and name h1)(residue 18 and name h21) 1.8 0.0 3.2
assign (residue 18 and name h1)(residue 18 and name h22) 1.8 0.0 3.2
assign (residue 18 and name h1)(residue 13 and name h41) 1.8 0.0 3.2
assign (residue 18 and name h1)(residue 13 and name h42) 1.8 0.0 3.2
assign (residue 12 and name h3)(residue 19 and name h61) 1.8 0.0 3.2
assign (residue 12 and name h3)(residue 19 and name h62) 1.8 0.0 3.2

{noesy aromatic/sugar region }

assign (residue 7 and name h4')(residue 8 and name h8)2.0 0.0 2.0
assign (residue 7 and name h6)(residue 7 and name h2'')1.8 0.0 1.2
assign (residue 4 and name h6)(residue 3 and name h2'')1.8 0.0 1.2
assign (residue 10 and name h8)(residue 9 and name h2'')1.8 0.0 1.2
assign (residue 9 and name h8)(residue 9 and name h2'')1.8 0.0 1.2
assign (residue 12 and name h6)(residue 11 and name h2'')1.8 0.0 1.2
assign (residue 12 and name h6)(residue 12 and name h2'')1.8 0.0 1.2
assign (residue 5 and name h8)(residue 4 and name h2'')1.8 0.0 1.2
assign (residue 5 and name h8)(residue 5 and name h2'')2.0 0.2 2.0
assign (residue 11 and name h6)(residue 10 and name h2'')1.8 0.0 1.2
assign (residue 13 and name h6)(residue 12 and name h2'')1.8 0.0 1.2
assign (residue 24 and name h6)(residue 23 and name h2'')1.8 0.0 1.2
assign (residue 21 and name h6)(residue 20 and name h2'')2.0 0.2 2.0  {overlap}
assign (residue 8 and name h8)(residue 8 and name h2'')2.0 0.2 2.0  {overlap}
assign (residue 8 and name h2'')(residue 9 and name h8)1.8 0.0 1.2
assign (residue 3 and name h8)(residue 2 and name h2'')1.8 0.0 1.2
assign (residue 2 and name h8)(residue 2 and name h2'')1.8 0.0 1.2
assign (residue 20 and name h3')(residue 20 and name h8)1.8 0.0 1.2
assign (residue 20 and name h8)(residue 19 and name h2'')2.0 0.0 2.0
assign (residue 22 and name h8)(residue 22 and name h2'')2.0 0.2 2.0
assign (residue 22 and name h8)(residue 22 and name h3')1.8 0.0 1.2
assign (residue 6 and name h8)(residue 5 and name h2'')1.8 0.0 1.2
assign (residue 6 and name h8)(residue 6 and name h2'')1.8 0.0 1.2
assign (residue 7 and name h6)(residue 6 and name h2'')2.0 0.0 2.0
assign (residue 10 and name h8)(residue 10 and name h2'')2.0 0.2 2.0
assign (residue 23 and name h6)(residue 22 and name h2'')2.0 0.0 2.0
assign (residue 22 and name h8)(residue 21 and name h2'')2.0 0.0 2.0
assign (residue 9 and name h8)(residue 9 and name h3')2.0 0.0 2.0
assign (residue 3 and name h8)(residue 3 and name h2'')2.0 0.0 2.0
assign (residue 9 and name h8)(residue 9 and name h4')3.0 0.5 2.0
assign (residue 4 and name h6)(residue 4 and name h2'')2.0 0.0 2.0


assign (residue 19 and name h8)(residue 18 and name h2'')1.8 0.0 1.2
assign (residue 19 and name h8)(residue 19 and name h2'')1.8 0.0 1.2
assign (residue 18 and name h8)(residue 18 and name h2'')2.0 0.0 2.0
assign (residue 9 and name h8)(residue 8 and name h3')3.0 0.5 2.0
assign (residue 23 and name h6)(residue 23 and name h3')1.8 0.0 1.2
assign (residue 23 and name h6)(residue 23 and name h2'')1.8 0.0 1.2
assign (residue 7 and name h6)(residue 7 and name h4')3.0 0.5 2.0
assign (residue 20 and name h8)(residue 20 and name h2'')2.0 0.0 2.0
assign (residue 6 and name h8)(residue 6 and name h3')2.0 0.0 2.0
assign (residue 6 and name h8)(residue 5 and name h3')3.0 0.5 2.0
assign (residue 21 and name h6)(residue 20 and name h3')1.8 0.0 1.2
assign (residue 12 and name h6)(residue 11 and name h3')2.0 0.0 2.0
assign (residue 12 and name h6)(residue 12 and name h3')3.0 0.5 2.0 
assign (residue 13 and name h6)(residue 13 and name h3')2.0 0.0 2.0
assign (residue 4 and name h6)(residue 3 and name h3')1.8 0.0 1.2
assign (residue 11 and name h6)(residue 11 and name h3')2.0 0.0 2.0
assign (residue 24 and name h6)(residue 24 and name h2'')2.0 0.0 2.0
assign (residue 24 and name h6)(residue 23 and name h3')2.0 0.0 2.0
assign (residue 24 and name h6)(residue 24 and name h3')2.0 0.0 2.0
assign (residue 13 and name h6)(residue 13 and name h2'')3.0 0.5 2.0

{noesy aromatic/h1' region}

assign (residue 5 and name h2)(residue 22 and name h1')2.0 0.0 2.0
assign (residue 5 and name h2)(residue 6 and name h1')2.0 0.0 2.0
assign (residue 7 and name h6)(residue 7 and name h1')2.0 0.0 2.0
assign (residue 22 and name h2)(residue 5 and name h1')1.8 0.0 1.2
assign (residue 22 and name h2)(residue 23 and name h1')1.8 0.0 1.2
assign (residue 2 and name h8)(residue 2 and name h1')3.0 0.5 2.0
assign (residue 19 and name h2)(residue 20 and name h1')1.8 0.0 1.2
assign (residue 19 and name h2)(residue 13 and name h1')2.0 0.0 2.0
assign (residue 21 and name h1')(residue 21 and name h6)2.0 0.0 2.0 
assign (residue 19 and name h1')(residue 19 and name h8)2.0 0.0 2.0
assign (residue 22 and name h1')(residue 22 and name h8)2.0 0.0 2.0
assign (residue 9 and name h1')(residue 9 and name h8)2.0 0.0 2.0
assign (residue 9 and name h1')(residue 10 and name h8)2.0 0.0 2.0
assign (residue 10 and name h1')(residue 10 and name h8)2.0 0.2 2.0
assign (residue 5 and name h1')(residue 5 and name h8)2.0 0.0 2.0
assign (residue 12 and name h1')(residue 12 and name h6)2.0 0.2 2.0
assign (residue 13 and name h1')(residue 13 and name h6)2.0 0.2 2.0
assign (residue 24 and name h1')(residue 24 and name h6)2.0 0.0 2.0
assign (residue 8 and name h1')(residue 8 and name h8)2.0 0.2 2.0
assign (residue 3 and name h1')(residue 3 and name h8)3.0 0.5 2.0
assign (residue 20 and name h1')(residue 20 and name h8)3.0 0.5 2.0
assign (residue 4 and name h1')(residue 4 and name h6)3.0 0.5 2.0
assign (residue 19 and name h1')(residue 20 and name h8)3.0 0.5 2.0
assign (residue 20 and name h1')(residue 21 and name h6)3.0 0.5 2.0
assign (residue 22 and name h1')(residue 23 and name h6)3.0 0.5 2.0
assign (residue 23 and name h1')(residue 23 and name h6)3.0 0.5 2.0
assign (residue 10 and name h1')(residue 11 and name h6)3.0 0.5 2.0
assign (residue 11 and name h1')(residue 12 and name h6)3.0 0.5 2.0
assign (residue 12 and name h1')(residue 13 and name h6)3.0 0.5 2.0
assign (residue 2 and name h1')(residue 3 and name h8)3.0 0.5 2.0
assign (residue 3 and name h1')(residue 4 and name h6)3.0 0.5 2.0
assign (residue 4 and name h1')(residue 5 and name h8)3.0 0.5 2.0
assign (residue 5 and name h1')(residue 6 and name h8)3.0 0.5 2.0
assign (residue 6 and name h1')(residue 6 and name h8)3.0 0.5 2.0
assign (residue 6 and name h1')(residue 7 and name h6)3.0 0.5 2.0
assign (residue 8 and name h1')(residue 9 and name h8)2.0 0.2 2.5
assign (residue 9 and name h2)(residue 10 and name h1')2.0 0.0 2.0
assign (residue 21 and name h1')(residue 22 and name h8)3.0 0.5 3.0
assign (residue 11 and name h1')(residue 11 and name h6)3.0 0.5 2.0
assign (residue 23 and name h1')(residue 24 and name h6)3.0 0.5 2.0
assign (residue 22 and name h1')(residue 22 and name h2)3.0 0.5 3.0

assign (residue 8 and name h2)(residue 9 and name h1')2.0 0.0 2.0

{1dnoe's}

assign (residue 18 and name h1)(residue 12 and name h3)4 1 1
assign (residue 12 and name h3)(residue 20 and name h1)4 1 1
assign (residue 20 and name h1)(residue 10 and name h1)4 1 1
assign (residue 20 and name h1)(residue 21 and name h3)3 1 1.5
assign (residue 2 and name h1)(residue 3 and name h1)3 1 1.5


{400ms noesy aromatic/aromatic }

assign (residue 3 and name h8)(residue 4 and name h6)3.0 0.5 3.0
assign (residue 4 and name h6)(residue 5 and name h8)3.0 0.5 3.0
assign (residue 5 and name h8)(residue 6 and name h8)3.0 0.5 3.0
assign (residue 6 and name h8)(residue 7 and name h6)3.0 0.5 3.0
assign (residue 18 and name h8)(residue 19 and name h8)3.0 0.5 3.0
assign (residue 19 and name h8)(residue 20 and name h8)3.0 0.5 3.0
assign (residue 20 and name h8)(residue 21 and name h6)3.0 0.5 3.0
assign (residue 22 and name h8)(residue 23 and name h6)3.0 0.5 3.0
assign (residue 9 and name h8)(residue 10 and name h8)3.0 0.5 3.0


{400ms noesy aromatic/h5's }


assign (residue 12 and name h6)(residue 13 and name h5)3.0 0.5 3.0
assign (residue 20 and name h8)(residue 21 and name h5)3.0 0.5 3.0
assign (residue 6 and name h8)(residue 7 and name h5)3.0 0.5 3.0
assign (residue 22 and name h8)(residue 23 and name h5)3.0 0.5 3.0
assign (residue 3 and name h8)(residue 4 and name h5)3.0 0.5 3.0

{h5/sugars}

assign (residue 23 and name h5)(residue 22 and name h2'')2.0 0.0 2.0 
assign (residue 4 and name h5)(residue 3 and name h3')3.0 0.5 2.0
assign (residue 4 and name h5)(residue 3 and name h2'')3.0 0.5 3.0 
assign (residue 7 and name h5)(residue 7 and name h2'')3.0 0.5 2.0 
assign (residue 13 and name h5)(residue 13 and name h3')3.0 0.5 2.0
assign (residue 13 and name h5)(residue 12 and name h3')3.0 0.5 2.0
assign (residue 13 and name h5)(residue 12 and name h2'')2.0 0.0 2.0 
assign (residue 11 and name h5)(residue 10 and name h2'')2.0 0.0 2.0
assign (residue 21 and name h5)(residue 20 and name h2'')2.0 0.0 2.0
assign (residue 24 and name h5)(residue 23 and name h2'')3.0 0.5 2.0 {overlap}
assign (residue 21 and name h5)(residue 20 and name h3')3.0 0.5 2.0 {20deg}
assign (residue 23 and name h5)(residue 22 and name h3')3.0 0.5 3.0 

assign (residue 11 and name h5)(residue 10 and name h3')2.0 0.0 2.0
assign (residue 12 and name h5)(residue 11 and name h2'')3.0 0.5 2.0 {20deg}
assign (residue 12 and name h5)(residue 11 and name h3')3.0 0.5 2.0 {20deg}
assign (residue 24 and name h5)(residue 23 and name h3')3.0 0.5 2.0  {20deg}

assign (residue 23 and name h5)(residue 22 and name h1')3.0 0.5 3.0

{negative constraints}

assign (residue 7 and name h5)(residue 5 and name h2) 6 1 60 
assign (residue 7 and name h1')(residue 9 and name h8) 6 1 60
assign (residue 7 and name h5)(residue 5 and name h8) 6 1 60
assign (residue 7 and name h5)(residue 5 and name h2'') 6 1 60 
assign (residue 7 and name h5')(residue 8 and name h2) 6 1 60
assign (residue 7 and name h5'')(residue 8 and name h2) 6 1 60

assign (residue 3 and name h8)(residue 4 and name h3') 6 1 60 
assign (residue 21 and name h3')(residue 22 and name h3') 6 1 60
assign (residue 5 and name h2)(residue 6 and name h2) 6 1 60
assign (residue 6 and name h2)(residue 20 and name h3') 6 1 60 
assign (residue 6 and name h2)(residue 21 and name h6) 6 1 60
assign (residue 6 and name h2)(residue 21 and name h5) 6 1 60  
assign (residue 5 and name h2)(residue 6 and name h8) 6 1 60
assign (residue 5 and name h2)(residue 6 and name h2'') 6 1 60 
assign (residue 6 and name h1')(residue 7 and name h5) 6 1 60
assign (residue 7 and name h1')(residue 8 and name h8) 6 1 60  

assign (residue 5 and name h8)(residue 7 and name h5) 6 1 60 
assign (residue 6 and name h2)(residue 7 and name h5) 6 1 60
assign (residue 6 and name h2'')(residue 5 and name h2) 6 1 60
assign (residue 7 and name h5)(residue 5 and name h2) 6 1 60 
assign (residue 7 and name h5)(residue 6 and name h1') 6 1 60
assign (residue 21 and name h5)(residue 7 and name h5) 6 1 60  
assign (residue 22 and name h3')(residue 21 and name h3') 6 1 60

assign (residue 8 and name h2)(residue 9 and name h8) 6 1 60
assign (residue 8 and name h2)(residue 9 and name h2'') 6 1 60
assign (residue 8 and name h2)(residue 10 and name h8) 6 1 60
assign (residue 9 and name h1')(residue 10 and name h1') 6 1 60



constraints
    dihedral angle
      reset
{ 2ms4a.dihed beta, epsilon, delta, gamma and alpha and zeta}
{ keep amino groups in the plane of the base }

assign (residue 2 and name h22) (residue 2 and name n2)
       (residue 2 and name c2) (residue 2 and name n3) 10 0 5 2
assign (residue 3 and name h22) (residue 3 and name n2)
       (residue 3 and name c2) (residue 3 and name n3) 10 0 5 2
assign (residue 5 and name h62) (residue 5 and name n6)
       (residue 5 and name c6) (residue 5 and name c5) 10 0 5 2
assign (residue 6 and name h62) (residue 6 and name n6)
       (residue 6 and name c6) (residue 6 and name c5) 10 0 5 2
assign (residue 8 and name h62) (residue 8 and name n6)
       (residue 8 and name c6) (residue 8 and name c5) 10 0 5 2
assign (residue 9 and name h62) (residue 9 and name n6)
       (residue 9 and name c6) (residue 9 and name c5) 10 0 5 2
assign (residue 10 and name h22) (residue 10 and name n2)
       (residue 10 and name c2) (residue 10 and name n3) 10 0 5 2
assign (residue 11 and name h42) (residue 11 and name n4)
       (residue 11 and name c4) (residue 11 and name c5) 10 0 5 2
assign (residue 13 and name h42) (residue 13 and name n4)
       (residue 13 and name c4) (residue 13 and name c5) 10 0 5 2
assign (residue 18 and name h22) (residue 18 and name n2)
       (residue 18 and name c2) (residue 18 and name n3) 10 0 5 2
assign (residue 19 and name h62) (residue 19 and name n6)
       (residue 19 and name c6) (residue 19 and name c5) 10 0 5 2
assign (residue 20 and name h22) (residue 20 and name n2)
       (residue 20 and name c2) (residue 20 and name n3) 10 0 5 2
assign (residue 22 and name h62) (residue 22 and name n6)
       (residue 22 and name c6) (residue 22 and name c5) 10 0 5 2
assign (residue 23 and name h42) (residue 23 and name n4)
       (residue 23 and name c4) (residue 23 and name c5) 10 0 5 2
assign (residue 24 and name h42) (residue 24 and name n4)
       (residue 24 and name c4) (residue 24 and name c5) 10 0 5 2


{ make some nucleotides 3'-endo }
{      modified to restrain vo, v1, v2, and v3 instead of delta }

assign (residue 2 and name c4') (residue 2 and name o4')
       (residue 2 and name c1') (residue 2 and name c2') 2 0 5 2
assign (residue 2 and name o4') (residue 2 and name c1')
       (residue 2 and name c2') (residue 2 and name c3') 2 -22 5 2
assign (residue 2 and name c1') (residue 2 and name c2')
       (residue 2 and name c3') (residue 2 and name c4') 2 36 5 2
assign (residue 2 and name c2') (residue 2 and name c3')
       (residue 2 and name c4') (residue 2 and name o4') 2 -36 5 2

assign (residue 3 and name c4') (residue 3 and name o4')
       (residue 3 and name c1') (residue 3 and name c2') 2 0 5 2
assign (residue 3 and name o4') (residue 3 and name c1')
       (residue 3 and name c2') (residue 3 and name c3') 2 -22 5 2
assign (residue 3 and name c1') (residue 3 and name c2')
       (residue 3 and name c3') (residue 3 and name c4') 2 36 5 2
assign (residue 3 and name c2') (residue 3 and name c3')
       (residue 3 and name c4') (residue 3 and name o4') 2 -36 5 2

assign (residue 4 and name c4') (residue 4 and name o4')
       (residue 4 and name c1') (residue 4 and name c2') 2 0 5 2
assign (residue 4 and name o4') (residue 4 and name c1')
       (residue 4 and name c2') (residue 4 and name c3') 2 -22 5 2
assign (residue 4 and name c1') (residue 4 and name c2')
       (residue 4 and name c3') (residue 4 and name c4') 2 36 5 2
assign (residue 4 and name c2') (residue 4 and name c3')
       (residue 4 and name c4') (residue 4 and name o4') 2 -36 5 2

assign (residue 5 and name c4') (residue 5 and name o4')
       (residue 5 and name c1') (residue 5 and name c2') 2 0 5 2
assign (residue 5 and name o4') (residue 5 and name c1')
       (residue 5 and name c2') (residue 5 and name c3') 2 -22 5 2
assign (residue 5 and name c1') (residue 5 and name c2')
       (residue 5 and name c3') (residue 5 and name c4') 2 36 5 2
assign (residue 5 and name c2') (residue 5 and name c3')
       (residue 5 and name c4') (residue 5 and name o4') 2 -36 5 2

assign (residue 10 and name c4') (residue 10 and name o4')
       (residue 10 and name c1') (residue 10 and name c2') 2 0 5 2
assign (residue 10 and name o4') (residue 10 and name c1')
       (residue 10 and name c2') (residue 10 and name c3') 2 -22 5 2
assign (residue 10 and name c1') (residue 10 and name c2')
       (residue 10 and name c3') (residue 10 and name c4') 2 36 5 2
assign (residue 10 and name c2') (residue 10 and name c3')
       (residue 10 and name c4') (residue 10 and name o4') 2 -36 5 2

assign (residue 11 and name c4') (residue 11 and name o4')
       (residue 11 and name c1') (residue 11 and name c2') 2 0 5 2
assign (residue 11 and name o4') (residue 11 and name c1')
       (residue 11 and name c2') (residue 11 and name c3') 2 -22 5 2
assign (residue 11 and name c1') (residue 11 and name c2')
       (residue 11 and name c3') (residue 11 and name c4') 2 36 5 2
assign (residue 11 and name c2') (residue 11 and name c3')
       (residue 11 and name c4') (residue 11 and name o4') 2 -36 5 2

assign (residue 12 and name c4') (residue 12 and name o4')
       (residue 12 and name c1') (residue 12 and name c2') 2 0 5 2
assign (residue 12 and name o4') (residue 12 and name c1')
       (residue 12 and name c2') (residue 12 and name c3') 2 -22 5 2
assign (residue 12 and name c1') (residue 12 and name c2')
       (residue 12 and name c3') (residue 12 and name c4') 2 36 5 2
assign (residue 12 and name c2') (residue 12 and name c3')
       (residue 12 and name c4') (residue 12 and name o4') 2 -36 5 2

assign (residue 13 and name c4') (residue 13 and name o4')
       (residue 13 and name c1') (residue 13 and name c2') 2 0 5 2
assign (residue 13 and name o4') (residue 13 and name c1')
       (residue 13 and name c2') (residue 13 and name c3') 2 -22 5 2
assign (residue 13 and name c1') (residue 13 and name c2')
       (residue 13 and name c3') (residue 13 and name c4') 2 36 5 2
assign (residue 13 and name c2') (residue 13 and name c3')
       (residue 13 and name c4') (residue 13 and name o4') 2 -36 5 2

assign (residue 18 and name c4') (residue 18 and name o4')
       (residue 18 and name c1') (residue 18 and name c2') 2 0 5 2
assign (residue 18 and name o4') (residue 18 and name c1')
       (residue 18 and name c2') (residue 18 and name c3') 2 -22 5 2
assign (residue 18 and name c1') (residue 18 and name c2')
       (residue 18 and name c3') (residue 18 and name c4') 2 36 5 2
assign (residue 18 and name c2') (residue 18 and name c3')
       (residue 18 and name c4') (residue 18 and name o4') 2 -36 5 2

assign (residue 19 and name c4') (residue 19 and name o4')
       (residue 19 and name c1') (residue 19 and name c2') 2 0 5 2
assign (residue 19 and name o4') (residue 19 and name c1')
       (residue 19 and name c2') (residue 19 and name c3') 2 -22 5 2
assign (residue 19 and name c1') (residue 19 and name c2')
       (residue 19 and name c3') (residue 19 and name c4') 2 36 5 2
assign (residue 19 and name c2') (residue 19 and name c3')
       (residue 19 and name c4') (residue 19 and name o4') 2 -36 5 2

assign (residue 20 and name c4') (residue 20 and name o4')
       (residue 20 and name c1') (residue 20 and name c2') 2 0 5 2
assign (residue 20 and name o4') (residue 20 and name c1')
       (residue 20 and name c2') (residue 20 and name c3') 2 -22 5 2
assign (residue 20 and name c1') (residue 20 and name c2')
       (residue 20 and name c3') (residue 20 and name c4') 2 36 5 2
assign (residue 20 and name c2') (residue 20 and name c3')
       (residue 20 and name c4') (residue 20 and name o4') 2 -36 5 2

assign (residue 22 and name c4') (residue 22 and name o4')
       (residue 22 and name c1') (residue 22 and name c2') 2 0 5 2
assign (residue 22 and name o4') (residue 22 and name c1')
       (residue 22 and name c2') (residue 22 and name c3') 2 -22 5 2
assign (residue 22 and name c1') (residue 22 and name c2')
       (residue 22 and name c3') (residue 22 and name c4') 2 36 5 2
assign (residue 22 and name c2') (residue 22 and name c3')
       (residue 22 and name c4') (residue 22 and name o4') 2 -36 5 2

assign (residue 23 and name c4') (residue 23 and name o4')
       (residue 23 and name c1') (residue 23 and name c2') 2 0 5 2
assign (residue 23 and name o4') (residue 23 and name c1')
       (residue 23 and name c2') (residue 23 and name c3') 2 -22 5 2
assign (residue 23 and name c1') (residue 23 and name c2')
       (residue 23 and name c3') (residue 23 and name c4') 2 36 5 2
assign (residue 23 and name c2') (residue 23 and name c3')
       (residue 23 and name c4') (residue 23 and name o4') 2 -36 5 2

assign (residue 24 and name c4') (residue 24 and name o4')
       (residue 24 and name c1') (residue 24 and name c2') 2 0 5 2
assign (residue 24 and name o4') (residue 24 and name c1')
       (residue 24 and name c2') (residue 24 and name c3') 2 -22 5 2
assign (residue 24 and name c1') (residue 24 and name c2')
       (residue 24 and name c3') (residue 24 and name c4') 2 36 5 2
assign (residue 24 and name c2') (residue 24 and name c3')
       (residue 24 and name c4') (residue 24 and name o4') 2 -36 5 2


{ restrain some nucleotides to be 2'-endo }

assign (residue 7 and name c4') (residue 7 and name o4')
       (residue 7 and name c1') (residue 7 and name c2') 2 -18 5 2
assign (residue 7 and name o4') (residue 7 and name c1')
       (residue 7 and name c2') (residue 7 and name c3') 2 34 5 2
assign (residue 7 and name c1') (residue 7 and name c2')
       (residue 7 and name c3') (residue 7 and name c4') 2 -37 5 2
assign (residue 7 and name c2') (residue 7 and name c3')
       (residue 7 and name c4') (residue 7 and name o4') 2 26 5 2

assign (residue 8 and name c4') (residue 8 and name o4')
       (residue 8 and name c1') (residue 8 and name c2') 2 -18 5 2
assign (residue 8 and name o4') (residue 8 and name c1')
       (residue 8 and name c2') (residue 8 and name c3') 2 34 5 2
assign (residue 8 and name c1') (residue 8 and name c2')
       (residue 8 and name c3') (residue 8 and name c4') 2 -37 5 2
assign (residue 8 and name c2') (residue 8 and name c3')
       (residue 8 and name c4') (residue 8 and name o4') 2 26 5 2


{  restrain nucleotides which are mixtures }
{      restrain them to be 2'-endo or 3'-endo or in between }


assign (residue 6 and name c4') (residue 6 and name o4')
       (residue 6 and name c1') (residue 6 and name c2') 2 -20 20 2
assign (residue 6 and name o4') (residue 6 and name c1')
       (residue 6 and name c2') (residue 6 and name c3') 2 15 25 2
assign (residue 6 and name c1') (residue 6 and name c2')
       (residue 6 and name c3') (residue 6 and name c4') 2 0 35 2
assign (residue 6 and name c2') (residue 6 and name c3')
       (residue 6 and name c4') (residue 6 and name o4') 2 0 40 2

assign (residue 9 and name c4') (residue 9 and name o4')
       (residue 9 and name c1') (residue 9 and name c2') 2 -20 20 2
assign (residue 9 and name o4') (residue 9 and name c1')
       (residue 9 and name c2') (residue 9 and name c3') 2 15 25 2
assign (residue 9 and name c1') (residue 9 and name c2')
       (residue 9 and name c3') (residue 9 and name c4') 2 0 35 2
assign (residue 9 and name c2') (residue 9 and name c3')
       (residue 9 and name c4') (residue 9 and name o4') 2 0 40 2

assign (residue 21 and name c4') (residue 21 and name o4')
       (residue 21 and name c1') (residue 21 and name c2') 2 -20 20 2
assign (residue 21 and name o4') (residue 21 and name c1')
       (residue 21 and name c2') (residue 21 and name c3') 2 15 25 2
assign (residue 21 and name c1') (residue 21 and name c2')
       (residue 21 and name c3') (residue 21 and name c4') 2 0 35 2
assign (residue 21 and name c2') (residue 21 and name c3')
       (residue 21 and name c4') (residue 21 and name o4') 2 0 40 2

{restrain some nucleotides to keep the bases anti}

assign (residue 2 and name o4') (residue 2 and name c1')
       (residue 2 and name n9) (residue 2 and name c4) 2 -110 70 2
assign (residue 3 and name o4') (residue 3 and name c1')
       (residue 3 and name n9) (residue 3 and name c4) 2 -110 70 2 
assign (residue 4 and name o4') (residue 4 and name c1')
       (residue 4 and name n1) (residue 4 and name c2) 2 -110 70 2
assign (residue 5 and name o4') (residue 5 and name c1')
       (residue 5 and name n9) (residue 5 and name c4) 2 -110 70 2
assign (residue 6 and name o4') (residue 6 and name c1')
       (residue 6 and name n9) (residue 6 and name c4) 2 -110 70 2
assign (residue 9 and name o4') (residue 9 and name c1')
       (residue 9 and name n9) (residue 9 and name c4) 2 -110 70 2
assign (residue 10 and name o4') (residue 10 and name c1')
       (residue 10 and name n9) (residue 10 and name c4) 2 -110 70 2
assign (residue 11 and name o4') (residue 11 and name c1')
       (residue 11 and name n1) (residue 11 and name c2) 2 -110 70 2
assign (residue 12 and name o4') (residue 12 and name c1')
       (residue 12 and name n1) (residue 12 and name c2) 2 -110 70 2
assign (residue 13 and name o4') (residue 13 and name c1')
       (residue 13 and name n1) (residue 13 and name c2) 2 -110 70 2


assign (residue 18 and name o4') (residue 18 and name c1')
       (residue 18 and name n9) (residue 18 and name c4) 2 -110 70 2
assign (residue 19 and name o4') (residue 19 and name c1')
       (residue 19 and name n9) (residue 19 and name c4) 2 -110 70 2
assign (residue 20 and name o4') (residue 20 and name c1')
       (residue 20 and name n9) (residue 20 and name c4) 2 -110 70 2
assign (residue 21 and name o4') (residue 21 and name c1')
       (residue 21 and name n1) (residue 21 and name c2) 2 -110 70 2
assign (residue 22 and name o4') (residue 22 and name c1')
       (residue 22 and name n9) (residue 22 and name c4) 2 -110 70 2
assign (residue 23 and name o4') (residue 23 and name c1')
       (residue 23 and name n1) (residue 23 and name c2) 2 -110 70 2
assign (residue 24 and name o4') (residue 24 and name c1')
       (residue 24 and name n1) (residue 24 and name c2) 2 -110 70 2

{backbone torsion angle beta}
{used in refinement only}

assign (residue 3 and name p) (residue 3 and name o5')
       (residue 3 and name c5') (residue 3 and name c4') 2 180 20 2
assign (residue 4 and name p) (residue 4 and name o5')
       (residue 4 and name c5') (residue 4 and name c4') 2 180 20 2
assign (residue 11 and name p) (residue 11 and name o5')
       (residue 11 and name c5') (residue 11 and name c4') 2 180 20 2
assign (residue 12 and name p) (residue 12 and name o5')
       (residue 12 and name c5') (residue 12 and name c4') 2 180 20 2
assign (residue 13 and name p) (residue 13 and name o5')
       (residue 13 and name c5') (residue 13 and name c4') 2 180 20 2
assign (residue 19 and name p) (residue 19 and name o5')
       (residue 19 and name c5') (residue 19 and name c4') 2 180 20 2
assign (residue 20 and name p) (residue 20 and name o5')
       (residue 20 and name c5') (residue 20 and name c4') 2 180 20 2
assign (residue 21 and name p) (reside 21 and name o5')
       (residue 21 and name c5') (residue 21 and name c4') 2 180 20 2
assign (residue 23 and name p) (residue 23 and name o5')
       (residue 23 and name c5') (residue 23 and name c4') 2 180 20 2
assign (residue 24 and name p) (residue 24 and name o5')
       (residue 24 and name c5') (residue 24 and name c4') 2 180 20 2


{backbone torsion angle gamma}
{used in refinement only}

assign (residue 2 and name o5') (residue 2 and name c5')
       (residue 2 and name c4') (residue 2 and name c3') 2 55 20 2
assign (residue 3 and name o5') (residue 3 and name c5')
       (residue 3 and name c4') (residue 3 and name c3') 2 55 20 2
assign (residue 4 and name o5') (residue 4 and name c5')
       (residue 4 and name c4') (residue 4 and name c3') 2 55 20 2
assign (residue 11 and name o5') (residue 11 and name c5')
       (residue 11 and name c4') (residue 11 and name c3') 2 55 20 2
assign (residue 12 and name o5') (residue 12 and name c5')
       (residue 12 and name c4') (residue 12 and name c3') 2 55 20 2
assign (residue 13 and name o5') (residue 13 and name c5')
       (residue 13 and name c4') (residue 13 and name c3') 2 55 20 2
assign (residue 18 and name o5') (residue 18 and name c5')
       (residue 18 and name c4') (residue 18 and name c3') 2 55 20 2
assign (residue 19 and name o5') (residue 19 and name c5')
       (residue 19 and name c4') (residue 19 and name c3') 2 55 20 2
assign (residue 20 and name o5') (residue 20 and name c5')
       (residue 20 and name c4') (residue 20 and name c3') 2 55 20 2
assign (residue 21 and name o5') (residue 21 and name c5')
       (residue 21 and name c4') (residue 21 and name c3') 2 55 20 2
assign (residue 23 and name o5') (residue 23 and name c5')
       (residue 23 and name c4') (residue 23 and name c3') 2 55 20 2
assign (residue 24 and name o5') (residue 24 and name c5')
       (residue 24 and name c4') (residue 24 and name c3') 2 55 20 2

{backbone torsion angle epsilon}
{used in refinment only}

assign (residue 2 and name c4') (residue 2 and name c3')
       (residue 2 and name o3') (residue 2 and name p) 2 -155 20 2
assign (residue 3 and name c4') (residue 3 and name c3')
       (residue 3 and name o3') (residue 3 and name p) 2 -155 20 2
assign (residue 10 and name c4') (residue 10 and name c3')
       (residue 10 and name o3') (residue 10 and name p) 2 -155 20 2
assign (residue 11 and name c4') (residue 11 and name c3')
       (residue 11 and name o3') (residue 11 and name p) 2 -155 20 2
assign (residue 12 and name c4') (residue 12 and name c3')
       (residue 12 and name o3') (residue 12 and name p) 2 -155 20 2
assign (residue 18 and name c4') (residue 18 and name c3')
       (residue 18 and name o3') (residue 18 and name p) 2 -155 20 2
assign (residue 19 and name c4') (residue 19 and name c3')
       (residue 19 and name o3') (residue 19 and name p) 2 -155 20 2
assign (residue 20 and name c4') (residue 20 and name c3')
       (residue 20 and name o3') (residue 20 and name p) 2 -155 20 2
assign (residue 22 and name c4') (residue 22 and name c3')
       (residue 22 and name o3') (residue 22 and name p) 2 -155 20 2
assign (residue 23 and name c4') (residue 23 and name c3')
       (residue 23 and name o3') (residue 23 and name p) 2 -155 20 2

{backbone torsion angle alpha}
{used in refinement only}

assign (residue 2 and name o3') (residue 3 and name p)
       (residue 3 and name o5') (residue 3 and name c5') 2 -70 30 2
assign (residue 3 and name o3') (residue 4 and name p)
       (residue 4 and name o5') (residue 4 and name c5') 2 -70 30 2
assign (residue 10 and name o3') (residue 11 and name p)
       (residue 11 and name o5') (residue 11 and name c5') 2 -70 30 2
assign (residue 11 and name o3') (residue 12 and name p)
       (residue 12 and name o5') (residue 12 and name c5') 2 -70 30 2
assign (residue 12 and name o3') (residue 13 and name p)
       (residue 13 and name o5') (residue 13 and name c5') 2 -70 30 2
assign (residue 18 and name o3') (residue 19 and name p)
       (residue 19 and name o5') (residue 19 and name c5') 2 -70 30 2
assign (residue 19 and name o3') (residue 20 and name p)
       (residue 20 and name o5') (residue 20 and name c5') 2 -70 30 2
assign (residue 20 and name o3') (residue 21 and name p)
       (residue 21 and name o5') (residue 21 and name c5') 2 -70 30 2
assign (residue 22 and name o3') (residue 23 and name p)
       (residue 23 and name o5') (residue 23 and name c5') 2 -70 30 2
assign (residue 23 and name o3') (residue 24 and name p)
       (residue 24 and name o5') (residue 24 and name c5') 2 -70 30 2

{backbone torsion angle zeta}
{used in refinement only}

assign (residue 2 and name c3') (residue 2 and name o3')
       (residue 3 and name p) (residue 3 and name o5') 2 -70 30 2
assign (residue 3 and name c3') (residue 3 and name o3')
       (residue 4 and name p) (residue 4 and name o5') 2 -70 30 2
assign (residue 10 and name c3') (residue 11 and name o3')
       (residue 11 and name p) (residue 11 and name o5') 2 -70 30 2
assign (residue 11 and name c3') (residue 11 and name o3')
       (residue 12 and name p) (residue 12 and name o5') 2 -70 30 2
assign (residue 12 and name c3') (residue 12 and name o3')
       (residue 13 and name p) (residue 13 and name o5') 2 -70 30 2
assign (residue 18 and name c3') (residue 18 and name o3')
       (residue 19 and name p) (residue 19 and name o5') 2 -70 30 2
assign (residue 19 and name c3') (residue 19 and name o3')
       (residue 20 and name p) (residue 20 and name o5') 2 -70 30 2
assign (residue 20 and name c3') (residue 20 and name o3')
       (residue 21 and name p) (residue 21 and name o5') 2 -70 30 2
assign (residue 22 and name c3') (residue 22 and name o3')
       (residue 23 and name p) (residue 23 and name o5') 2 -70 30 2
assign (residue 23 and name c3') (residue 23 and name o3')
       (residue 24 and name p) (residue 24 and name o5') 2 -70 30 2



end
end


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   2          1H5*      GUA   2  -0.596  -5.129   7.281
    2   2H5*    G   2          2H5*      GUA   2  -0.989  -6.428   6.137
    3    H4*    G   2           H4*      GUA   2  -2.760  -6.081   7.851
    4    H3*    G   2           H3*      GUA   2  -3.526  -5.442   4.947
    5   1H2*    G   2           H2*      GUA   2  -5.745  -5.035   5.780
    6   2HO*    G   2          2HO*      GUA   2  -6.252  -6.641   7.129
    7    H1*    G   2           H1*      GUA   2  -4.956  -3.820   8.186
    8    H8     G   2           H8       GUA   2  -3.637  -3.129   4.573
    9    H1     G   2           H1       GUA   2  -7.702   1.195   6.995
   10   1H2     G   2           H21      GUA   2  -8.445   0.504   8.960
   11   2H2     G   2           H22      GUA   2  -7.767  -0.898   9.754
   12    H5T    G   2           H5T      GUA   2  -1.542  -3.700   5.613
   13   1H5*    G   3          1H5*      GUA   3  -6.448  -8.260   7.760
   14   2H5*    G   3          2H5*      GUA   3  -6.451  -9.666   6.664
   15    H4*    G   3           H4*      GUA   3  -8.756  -9.324   7.451
   16    H3*    G   3           H3*      GUA   3  -7.960  -8.627   4.603
   17   1H2*    G   3           H2*      GUA   3 -10.090  -7.629   4.140
   18   2HO*    G   3          2HO*      GUA   3 -11.901  -8.125   5.299
   19    H1*    G   3           H1*      GUA   3 -10.537  -6.380   6.553
   20    H8     G   3           H8       GUA   3  -7.076  -6.523   4.746
   21    H1     G   3           H1       GUA   3 -10.353  -1.052   4.122
   22   1H2     G   3           H21      GUA   3 -12.344  -1.254   5.068
   23   2H2     G   3           H22      GUA   3 -12.767  -2.659   6.019
   24   1H5*    U   4          1H5*      URI   4 -11.854  -9.721   4.153
   25   2H5*    U   4          2H5*      URI   4 -12.175 -10.513   2.597
   26    H4*    U   4           H4*      URI   4 -13.283  -8.279   2.842
   27    H3*    U   4           H3*      URI   4 -11.212  -8.637   0.612
   28   1H2*    U   4           H2*      URI   4 -11.695  -6.355  -0.054
   29   2HO*    U   4          2HO*      URI   4 -13.904  -6.283   0.111
   30    H1*    U   4           H1*      URI   4 -11.705  -5.286   2.487
   31    H3     U   4           H3       URI   4  -7.722  -3.846   0.915
   32    H5     U   4           H5       URI   4  -7.110  -7.971   1.510
   33    H6     U   4           H6       URI   4  -9.472  -8.167   2.047
   34   1H5*    A   5          1H5*      ADE   5 -13.929  -7.073  -3.584
   35   2H5*    A   5          2H5*      ADE   5 -12.264  -7.022  -2.971
   36    H4*    A   5           H4*      ADE   5 -14.337  -4.828  -2.590
   37    H3*    A   5           H3*      ADE   5 -11.979  -5.081  -4.533
   38   1H2*    A   5           H2*      ADE   5 -11.684  -2.709  -4.283
   39   2HO*    A   5          2HO*      ADE   5 -13.319  -1.394  -3.453
   40    H1*    A   5           H1*      ADE   5 -12.285  -2.598  -1.552
   41    H8     A   5           H8       ADE   5  -9.995  -5.406  -1.605
   42   1H6     A   5           H61      ADE   5  -5.333  -1.491  -2.783
   43   2H6     A   5           H62      ADE   5  -5.744  -3.100  -2.236
   44    H2     A   5           H2       ADE   5  -9.169   0.668  -3.491
   45   1H5*    A   6          1H5*      ADE   6 -13.439  -1.482  -5.404
   46   2H5*    A   6          2H5*      ADE   6 -14.229  -1.557  -6.991
   47    H4*    A   6           H4*      ADE   6 -12.777   0.422  -6.784
   48    H3*    A   6           H3*      ADE   6 -12.793  -1.055  -9.069
   49   1H2*    A   6           H2*      ADE   6 -11.052  -2.611  -8.427
   50   2HO*    A   6          2HO*      ADE   6 -10.038  -0.371  -9.830
   51    H1*    A   6           H1*      ADE   6  -9.302  -0.370  -7.370
   52    H8     A   6           H8       ADE   6 -11.078  -3.661  -6.312
   53   1H6     A   6           H61      ADE   6  -5.466  -5.383  -4.300
   54   2H6     A   6           H62      ADE   6  -7.147  -5.852  -4.424
   55    H2     A   6           H2       ADE   6  -5.126  -1.285  -6.016
   56   1H5*    U   7          1H5*      URI   7 -13.033   0.541 -12.809
   57   2H5*    U   7          2H5*      URI   7 -12.580  -0.863 -11.821
   58    H4*    U   7           H4*      URI   7 -10.775   0.427 -13.897
   59    H3*    U   7           H3*      URI   7 -12.926  -1.107 -14.701
   60   1H2*    U   7           H2*      URI   7 -12.349  -2.984 -13.204
   61   2HO*    U   7          2HO*      URI   7 -11.105  -3.362 -15.754
   62    H1*    U   7           H1*      URI   7  -9.485  -2.639 -14.237
   63    H3     U   7           H3       URI   7  -7.815  -5.982 -11.792
   64    H5     U   7           H5       URI   7 -10.982  -4.614  -9.376
   65    H6     U   7           H6       URI   7 -11.470  -2.955 -11.086
   66   1H5*    A   8          1H5*      ADE   8  -9.102   0.997 -17.142
   67   2H5*    A   8          2H5*      ADE   8  -9.181   1.197 -15.379
   68    H4*    A   8           H4*      ADE   8  -9.803   3.377 -17.402
   69    H3*    A   8           H3*      ADE   8  -7.199   2.673 -16.940
   70   1H2*    A   8           H2*      ADE   8  -7.490   2.672 -14.474
   71   2HO*    A   8          2HO*      ADE   8  -6.636   5.329 -15.104
   72    H1*    A   8           H1*      ADE   8  -8.793   5.419 -14.854
   73    H8     A   8           H8       ADE   8  -8.927   2.098 -12.779
   74   1H6     A   8           H61      ADE   8 -10.767   5.780  -8.147
   75   2H6     A   8           H62      ADE   8 -10.462   4.126  -8.627
   76    H2     A   8           H2       ADE   8 -10.238   8.306 -11.781
   77   1H5*    A   9          1H5*      ADE   9  -4.172   7.281 -17.357
   78   2H5*    A   9          2H5*      ADE   9  -4.512   5.828 -16.394
   79    H4*    A   9           H4*      ADE   9  -5.699   8.571 -15.834
   80    H3*    A   9           H3*      ADE   9  -3.158   7.275 -14.800
   81   1H2*    A   9           H2*      ADE   9  -3.963   7.279 -12.608
   82   2HO*    A   9          2HO*      ADE   9  -3.489   9.532 -12.551
   83    H1*    A   9           H1*      ADE   9  -6.612   8.471 -13.328
   84    H8     A   9           H8       ADE   9  -5.800   4.743 -13.083
   85   1H6     A   9           H61      ADE   9  -7.918   5.098  -7.262
   86   2H6     A   9           H62      ADE   9  -7.334   4.019  -8.508
   87    H2     A   9           H2       ADE   9  -7.712   9.236  -8.922
   88   1H5*    G  10          1H5*      GUA  10  -4.637  11.040 -13.350
   89   2H5*    G  10          2H5*      GUA  10  -4.395  12.766 -13.681
   90    H4*    G  10           H4*      GUA  10  -3.685  13.154 -11.548
   91    H3*    G  10           H3*      GUA  10  -1.957  10.660 -11.988
   92   1H2*    G  10           H2*      GUA  10  -1.688  10.564  -9.593
   93   2HO*    G  10          2HO*      GUA  10  -2.739  13.218  -9.609
   94    H1*    G  10           H1*      GUA  10  -4.285  11.412  -8.938
   95    H8     G  10           H8       GUA  10  -3.091   8.588 -11.375
   96    H1     G  10           H1       GUA  10  -5.390   6.685  -5.701
   97   1H2     G  10           H21      GUA  10  -5.996   8.446  -4.510
   98   2H2     G  10           H22      GUA  10  -5.854  10.075  -5.129
   99   1H5*    C  11          1H5*      CYT  11  -1.173  14.080  -9.316
  100   2H5*    C  11          2H5*      CYT  11   0.384  14.806  -9.782
  101    H4*    C  11           H4*      CYT  11   0.153  15.288  -7.432
  102    H3*    C  11           H3*      CYT  11   1.970  13.040  -8.295
  103   1H2*    C  11           H2*      CYT  11   2.230  12.184  -6.074
  104   2HO*    C  11          2HO*      CYT  11   1.979  14.797  -5.493
  105    H1*    C  11           H1*      CYT  11  -0.308  12.594  -5.087
  106   1H4     C  11           H41      CYT  11  -1.089   6.674  -7.194
  107   2H4     C  11           H42      CYT  11  -0.447   7.057  -8.775
  108    H5     C  11           H5       CYT  11   0.394   9.286  -9.349
  109    H6     C  11           H6       CYT  11   0.708  11.554  -8.534
  110   1H5*    U  12          1H5*      URI  12   3.646  14.588  -4.100
  111   2H5*    U  12          2H5*      URI  12   5.210  15.181  -4.715
  112    H4*    U  12           H4*      URI  12   5.697  13.826  -2.742
  113    H3*    U  12           H3*      URI  12   6.269  12.700  -5.504
  114   1H2*    U  12           H2*      URI  12   6.757  10.533  -4.638
  115   2HO*    U  12          2HO*      URI  12   7.231  11.971  -2.231
  116    H1*    U  12           H1*      URI  12   5.037  10.497  -2.431
  117    H3     U  12           H3       URI  12   3.041   7.155  -4.615
  118    H5     U  12           H5       URI  12   2.952  10.266  -7.449
  119    H6     U  12           H6       URI  12   4.171  11.641  -5.863
  120   1H5*    C  13          1H5*      CYT  13   9.376  11.076  -2.932
  121   2H5*    C  13          2H5*      CYT  13  10.886  10.981  -3.858
  122    H4*    C  13           H4*      CYT  13  10.187   8.775  -2.992
  123    H3*    C  13           H3*      CYT  13   9.956   9.041  -6.032
  124   1H2*    C  13           H2*      CYT  13   9.567   6.651  -5.999
  125   2HO*    C  13          2HO*      CYT  13  11.195   6.486  -4.141
  126    H1*    C  13           H1*      CYT  13   7.794   6.797  -3.858
  127   1H4     C  13           H41      CYT  13   3.979   7.142  -8.901
  128   2H4     C  13           H42      CYT  13   4.409   8.814  -9.183
  129    H5     C  13           H5       CYT  13   6.282   9.903  -8.008
  130    H6     C  13           H6       CYT  13   7.874   9.663  -6.176
  131    H3T    C  13           H3T      CYT  13  12.045   9.274  -4.900
  132   1H5*    G  18          1H5*      GUA  18   1.294  -2.442 -12.393
  133   2H5*    G  18          2H5*      GUA  18   0.179  -2.687 -11.033
  134    H4*    G  18           H4*      GUA  18   2.579  -2.885 -10.382
  135    H3*    G  18           H3*      GUA  18   1.012  -0.549  -9.149
  136   1H2*    G  18           H2*      GUA  18   3.009  -0.156  -7.827
  137   2HO*    G  18          2HO*      GUA  18   3.444  -2.405  -7.424
  138    H1*    G  18           H1*      GUA  18   4.773  -0.435  -9.925
  139    H8     G  18           H8       GUA  18   1.926   1.286 -11.529
  140    H1     G  18           H1       GUA  18   4.959   5.101  -7.369
  141   1H2     G  18           H21      GUA  18   6.324   3.901  -6.108
  142   2H2     G  18           H22      GUA  18   6.471   2.169  -6.297
  143    H5T    G  18           H5T      GUA  18   1.040  -0.160 -12.005
  144   1H5*    A  19          1H5*      ADE  19   3.527  -3.071  -5.838
  145   2H5*    A  19          2H5*      ADE  19   2.087  -3.607  -4.933
  146    H4*    A  19           H4*      ADE  19   3.732  -2.807  -3.294
  147    H3*    A  19           H3*      ADE  19   1.314  -1.065  -3.955
  148   1H2*    A  19           H2*      ADE  19   2.127   0.639  -2.510
  149   2HO*    A  19          2HO*      ADE  19   3.023  -1.385  -1.114
  150    H1*    A  19           H1*      ADE  19   4.764   0.562  -3.151
  151    H8     A  19           H8       ADE  19   2.266  -0.002  -5.951
  152   1H6     A  19           H61      ADE  19   1.938   6.155  -6.425
  153   2H6     A  19           H62      ADE  19   1.411   4.637  -7.114
  154    H2     A  19           H2       ADE  19   4.277   5.151  -2.750
  155   1H5*    G  20          1H5*      GUA  20   2.701   0.223  -0.146
  156   2H5*    G  20          2H5*      GUA  20   1.382  -0.145   0.992
  157    H4*    G  20           H4*      GUA  20   2.014   2.201   1.322
  158    H3*    G  20           H3*      GUA  20  -0.562   1.676  -0.260
  159   1H2*    G  20           H2*      GUA  20  -0.876   4.077  -0.324
  160   2HO*    G  20          2HO*      GUA  20  -0.055   4.079   2.030
  161    H1*    G  20           H1*      GUA  20   1.839   4.731  -0.710
  162    H8     G  20           H8       GUA  20   0.709   1.883  -2.982
  163    H1     G  20           H1       GUA  20  -1.109   7.715  -4.930
  164   1H2     G  20           H21      GUA  20  -0.695   9.195  -3.327
  165   2H2     G  20           H22      GUA  20   0.069   8.735  -1.825
  166   1H5*    U  21          1H5*      URI  21  -2.047   4.689   2.065
  167   2H5*    U  21          2H5*      URI  21  -3.651   4.203   2.651
  168    H4*    U  21           H4*      URI  21  -3.723   6.229   1.204
  169    H3*    U  21           H3*      URI  21  -5.103   3.722   0.091
  170   1H2*    U  21           H2*      URI  21  -5.794   5.095  -1.759
  171   2HO*    U  21          2HO*      URI  21  -5.847   6.954   0.181
  172    H1*    U  21           H1*      URI  21  -3.445   6.684  -1.844
  173    H3     U  21           H3       URI  21  -3.900   4.512  -5.865
  174    H5     U  21           H5       URI  21  -2.239   1.664  -3.239
  175    H6     U  21           H6       URI  21  -2.615   3.227  -1.421
  176   1H5*    A  22          1H5*      ADE  22  -8.059   6.293  -2.226
  177   2H5*    A  22          2H5*      ADE  22  -8.342   6.999  -0.620
  178    H4*    A  22           H4*      ADE  22 -10.483   6.680  -1.851
  179    H3*    A  22           H3*      ADE  22  -9.888   5.053   0.652
  180   1H2*    A  22           H2*      ADE  22 -11.955   3.854   0.382
  181   2HO*    A  22          2HO*      ADE  22 -12.737   6.150  -0.654
  182    H1*    A  22           H1*      ADE  22 -11.815   3.440  -2.314
  183    H8     A  22           H8       ADE  22  -8.275   3.162  -1.234
  184   1H6     A  22           H61      ADE  22  -9.642  -2.465   0.984
  185   2H6     A  22           H62      ADE  22  -8.346  -1.348   0.606
  186    H2     A  22           H2       ADE  22 -13.469  -0.364   0.094
  187   1H5*    C  23          1H5*      CYT  23 -14.158   4.956   0.405
  188   2H5*    C  23          2H5*      CYT  23 -14.667   6.082   1.691
  189    H4*    C  23           H4*      CYT  23 -15.949   4.033   2.018
  190    H3*    C  23           H3*      CYT  23 -13.620   4.677   3.845
  191   1H2*    C  23           H2*      CYT  23 -13.683   2.546   4.905
  192   2HO*    C  23          2HO*      CYT  23 -16.273   2.895   4.613
  193    H1*    C  23           H1*      CYT  23 -14.407   0.955   2.742
  194   1H4     C  23           H41      CYT  23  -8.153   0.124   2.975
  195   2H4     C  23           H42      CYT  23  -7.832   1.808   2.617
  196    H5     C  23           H5       CYT  23  -9.627   3.494   2.548
  197    H6     C  23           H6       CYT  23 -12.046   3.814   2.590
  198   1H5*    C  24          1H5*      CYT  24 -16.116   3.246   6.811
  199   2H5*    C  24          2H5*      CYT  24 -16.035   4.290   8.245
  200    H4*    C  24           H4*      CYT  24 -15.169   2.029   8.711
  201    H3*    C  24           H3*      CYT  24 -13.002   4.193   8.661
  202   1H2*    C  24           H2*      CYT  24 -11.555   2.474   9.555
  203   2HO*    C  24          2HO*      CYT  24 -13.454   1.630  10.878
  204    H1*    C  24           H1*      CYT  24 -12.482   0.535   7.785
  205   1H4     C  24           H41      CYT  24  -7.377   2.837   4.851
  206   2H4     C  24           H42      CYT  24  -8.205   4.316   4.403
  207    H5     C  24           H5       CYT  24 -10.572   4.727   5.012
  208    H6     C  24           H6       CYT  24 -12.457   3.878   6.314
  209    H3T    C  24           H3T      CYT  24 -14.793   4.281  10.220
   
  No H/Q in entry =         209