*HEADER   RIBONUCLEIC ACID                        11-JUN-97   1KIS    
*TITLE    TAR - TAR* "KISSING" HAIRPIN COMPLEX DERIVED FROM THE HIV   
*TITLE   2 GENOME, NMR, 1 STRUCTURE                                   
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TAR - TAR* COMPLEX;                              
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 FRAGMENT: KISSING HAIRPINS, TRANSCRIPTIONAL ACTIVATION     
*COMPND  5 RESPONSE (TAR) REGION OF HIV-2, AND ITS COMPLEMENTARY LOOP 
*COMPND  6 SEQUENCE (TAR*);                                           
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 OTHER_DETAILS: THIS MODEL BINDS THE ROM PROTEIN.  CHAIN A  
*COMPND  9 IS TAR, CHAIN B IS TAR*.                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 2;  
*SOURCE  4 ORGANISM_COMMON: HIV-2;                                    
*SOURCE  5 OTHER_DETAILS: THE OLIGONUCLEOTIDES WERE SYNTHESIZED       
*SOURCE  6 ENZYMATICALLY.  THE SEQUENCE WAS TAKEN FROM THE            
*SOURCE  7 TRANSCRIPTIONAL ACTIVATION RESPONSE (TAR) REGION OF HIV-2, 
*SOURCE  8 AND ITS COMPLEMENTARY LOOP SEQUENCE (TAR*)                 
*KEYWDS   RIBONUCLEIC ACID                                            
*EXPDTA   NMR, 1 STRUCTURE                                            
*AUTHOR   K.Y.CHANG,I.TINOCO JUNIOR                                   
*REVDAT  1   15-OCT-97 1KIS    0                                      
 


{------------------------NOE CONSTRAINTS-------------------------------}


	{ STEM BASE PAIRING-based on water noesy, standard distances}
             
{ stem T }
            { base pairing between G1 and C16 of stem T  G-C }
assign (residue 1 and name o6) (residue 16 and name h41) 1.7 .1 .1
assign (residue 1 and name h21) (residue 16 and name n3) 3.0 .1 .1
assign (residue 1 and name h21) (residue 16 and name o2) 2.1 .1 .1
assign (residue 1 and name h1) (residue 16 and name n3) 1.9 .1 .1

             { base pairing between A2 and U15 0f stem T  A-U }
assign (residue 2 and name h2) (residue 15 and name o2) 3.2 .1 .1
assign (residue 2 and name n1) (residue 15 and name h3) 1.9 .1 .1
assign (residue 2 and name h61) (residue 15 and name o4) 1.8 .1 .1
assign (residue 2 and name h2) (residue 15 and name h3) 2.9 .1 .1

            { base pairing between G3 and C14 of stem T  G-C }
assign (residue 3 and name o6) (residue 14 and name h41) 1.7 .1 .1
assign (residue 3 and name h21) (residue 14 and name n3) 3.0 .1 .1
assign (residue 3 and name h21) (residue 14 and name o2) 2.1 .1 .1
assign (residue 3 and name h1) (residue 14 and name n3) 1.9 .1 .1

              { base pairing between C4 and G13 of stem T C-G }
assign (residue 4 and name h41) (residue 13 and name o6) 1.7 .1 .1
assign (residue 4 and name n3) (residue 13 and name h21) 3.0 .1 .1
assign (residue 4 and name o2) (residue 13 and name h21) 2.1 .1 .1
assign (residue 4 and name n3) (residue 13 and name h1) 1.9 .1 .1

              { base pairing between C5 and G12 of stem T C-G }
assign (residue 5 and name h41) (residue 12 and name o6) 1.7 .1 .1
assign (residue 5 and name n3) (residue 12 and name h21) 3.0 .1 .1
assign (residue 5 and name o2) (residue 12 and name h21) 2.1 .1 .1
assign (residue 5 and name n3) (residue 12 and name h1) 1.9 .1 .1


{ helix K }
              { base pairing between C6 and G27 of helix K C-G }
assign (residue 6 and name h41) (residue 27 and name o6) 1.7 .1 .1
assign (residue 6 and name n3) (residue 27 and name h21) 3.0 .1 .1
assign (residue 6 and name o2) (residue 27 and name h21) 2.1 .1 .1
assign (residue 6 and name n3) (residue 27 and name h1) 1.9 .1 .1
             
              { base pairing between U7 and A26 0f helix K  U-A }
assign (residue 7 and name o2) (residue 26 and name h2) 3.2 .1 .1
assign (residue 7 and name h3) (residue 26 and name n1) 1.9 .1 .1
assign (residue 7 and name o4) (residue 26 and name h61) 1.8 .1 .1
assign (residue 7 and name h3) (residue 26 and name h2) 2.9 .1 .1

            { base pairing between G8 and C25 of helix K  G-C }
assign (residue 8 and name o6) (residue 25 and name h41) 1.7 .1 .1
assign (residue 8 and name h21) (residue 25 and name n3) 3.0 .1 .1
assign (residue 8 and name h21) (residue 25 and name o2) 2.1 .1 .1
assign (residue 8 and name h1) (residue 25 and name n3) 1.9 .1 .1

            { base pairing between G9 and C24 of helix K  G-C }
assign (residue 9 and name o6) (residue 24 and name h41) 1.7 .1 .1
assign (residue 9 and name h21) (residue 24 and name n3) 3.0 .1 .1
assign (residue 9 and name h21) (residue 24 and name o2) 2.1 .1 .1
assign (residue 9 and name h1) (residue 24 and name n3) 1.9 .1 .1

            { base pairing between G10 and C23 of helix K  G-C }
assign (residue 10 and name o6) (residue 23 and name h41) 1.7 .1 .1
assign (residue 10 and name h21) (residue 23 and name n3) 3.0 .1 .1
assign (residue 10 and name h21) (residue 23 and name o2) 2.1 .1 .1
assign (residue 10 and name h1) (residue 23 and name n3) 1.9 .1 .1


{ stem T* }
             
            { base pairing between G17 and C32 of stem T*  G-C }
assign (residue 17 and name o6) (residue 32 and name h41) 1.7 .1 .1
assign (residue 17 and name h21) (residue 32 and name n3) 3.0 .1 .1
assign (residue 17 and name h21) (residue 32 and name o2) 2.1 .1 .1
assign (residue 17 and name h1) (residue 32 and name n3) 1.9 .1 .1

            { base pairing between C18 and G31 of stem T* C-G }
assign (residue 18 and name h41) (residue 31 and name o6) 1.7 .1 .1
assign (residue 18 and name n3) (residue 31 and name h21) 3.0 .1 .1
assign (residue 18 and name o2) (residue 31 and name h21) 2.1 .1 .1
assign (residue 18 and name n3) (residue 31 and name h1) 1.9 .1 .1
             
            { base pairing between U19 and A30 of stem T*  U-A }
assign (residue 19 and name o2) (residue 30 and name h2) 3.2 .1 .1
assign (residue 19 and name h3) (residue 30 and name n1) 1.9 .1 .1
assign (residue 19 and name o4) (residue 30 and name h61) 1.8 .1 .1
assign (residue 19 and name h3) (residue 30 and name h2) 2.9 .1 .1

            { base pairing between G20 and C29 of stem T*  G-C }
assign (residue 20 and name o6) (residue 29 and name h41) 1.7 .1 .1
assign (residue 20 and name h21) (residue 29 and name n3) 3.0 .1 .1
assign (residue 20 and name h21) (residue 29 and name o2) 2.1 .1 .1
assign (residue 20 and name h1) (residue 29 and name n3) 1.9 .1 .1


{from water noesy 300ms, distances from looking at 5'-T stem}

          { constraints for residue G1 to cross U15 - imino to imino }
assign (residue 1 and name h1) (residue 15 and name h3) 4 1 1

          { constraints for residue U15 to cross G3  - imino to imino }
assign (residue 15 and name h3) (residue 3 and name h1) 4 1 1

          { constraints for residue G3 to cross G13 - imino to imino }
assign (residue 3 and name h1) (residue 13 and name h1) 4 1 1

          { constraints for residue G13 to G12  - imino to imino }
assign (residue 13 and name h1) (residue 12 and name h1) 3 1 1.5



{from water noesy 300ms, distances from looking at 5'-TK stem}

          { constraints for residue G27 to cross U7 - imino to imino }
assign (residue 27 and name h1) (residue 7 and name h3) 4 1 1

          { constraints for residue U7 to G8  - imino to imino }
assign (residue 7 and name h3) (residue 8 and name h1) 3 1 1.5

          { constraints for residue G8 to G9 - imino to imino }
assign (residue 8 and name h1) (residue 9 and name h1) 3 1 1.5

          { constraints for residue G9 to G10  - imino to imino }
assign (residue 9 and name h1) (residue 10 and name h1) 3 1 1.5



{from water noesy 300ms, distances from looking at 5'-T* stem}       

          { constraints for residue G17 to cross G31 - imino to imino }
assign (residue 17 and name h1) (residue 31 and name h1) 4 1 1

          { constraints for residue G31 to cross U19 - imino to imino }
assign (residue 31 and name h1) (residue 19 and name h3) 4 1 1

          { constraints for residue U19 to G20  - imino to imino }
assign (residue 19 and name h3) (residue 20 and name h1) 3 1 1.5



{  rest of experimental NOE data }


{ T-16 }
      
      { residue G1-T from nmr }
assign (residue 1 and name h1') (residue 1 and name h2'') 1.8 0 1.2
assign (residue 1 and name h1') (residue 1 and name h3') 2 0 2
assign (residue 1 and name h1') (residue 1 and name h4') 2 0 2
assign (residue 1 and name h1') (residue 2 and name h8) 3 0 2
assign (residue 1 and name h2'') (residue 2 and name h8) 1.8 0 1.2
assign (residue 1 and name h3') (residue 2 and name h8) 2 0 2
assign (residue 1 and name h8) (residue 1 and name h1') 2 0 2
assign (residue 1 and name h8) (residue 1 and name h2'') 3 0 2
assign (residue 1 and name h8) (residue 1 and name h3') 2 0 2

      { residue A2-T from nmr }
assign (residue 2 and name h1') (residue 2 and name h2'') 1.8 0 1.2
assign (residue 2 and name h1') (residue 2 and name h3') 2 0 2
assign (residue 2 and name h1') (residue 2 and name h4') 2 0 2
assign (residue 2 and name h1') (residue 3 and name h8) 3 0 2
assign (residue 2 and name h2'') (residue 3 and name h8) 1.8 0 1.2
assign (residue 2 and name h3') (residue 3 and name h8) 2 0 2
assign (residue 2 and name h2) (residue 3 and name h1') 3 0 2
assign (residue 2 and name h2) (residue 15 and name h3) 1.9 0 1.2  { Ah2-NH }
assign (residue 2 and name h2) (residue 16 and name h1') 3 0 2 { cross-strand Ah2-H1' NOE }
assign (residue 2 and name h8) (residue 2 and name h1') 2 0 2
assign (residue 2 and name h8) (residue 2 and name h2'') 3 0 2
assign (residue 2 and name h8) (residue 2 and name h3') 2 0 2

      
      { residue G3-T from nmr }
assign (residue 3 and name h1') (residue 3 and name h2'') 1.8 0 1.2
assign (residue 3 and name h1') (residue 3 and name h3') 2 0 2
assign (residue 3 and name h1') (residue 4 and name h6) 3 0 2
assign (residue 3 and name h2'') (residue 4 and name h5)2 0 2
assign (residue 3 and name h2'') (residue 4 and name h6)1.8 0 1.2
assign (residue 3 and name h3') (residue 4 and name h5) 2 0 2
assign (residue 3 and name h3') (residue 4 and name h6) 2 0 2
assign (residue 3 and name h8) (residue 3 and name h1') 2 0 2
assign (residue 3 and name h8) (residue 3 and name h2'') 3 0 2
assign (residue 3 and name h8) (residue 3 and name h3') 2 0 2
assign (residue 3 and name h1) (residue 14 and name h41) 1.8 0 1.2 { G3-NH to C14-NH2 } 
assign (residue 3 and name h1) (residue 14 and name h42) 3 0 2 { G3-NH to C14-NH2 }

      { residue C4-T from nmr }
assign (residue 4 and name h1') (residue 4 and name h2'') 1.8 0 1.2
assign (residue 4 and name h1') (residue 4 and name h3') 2 0 2
assign (residue 4 and name h1') (residue 5 and name h6) 3 0 2
assign (residue 4 and name h2'') (residue 5 and name h5) 2 0 2
assign (residue 4 and name h2'') (residue 5 and name h6) 1.8 0 1.2
assign (residue 4 and name h3') (residue 5 and name h6) 2 0 2
assign (residue 4 and name h5) (residue 5 and name h5) 3 0 2
assign (residue 4 and name h6) (residue 4 and name h1') 2 0 2
assign (residue 4 and name h6) (residue 4 and name h2'')3 0 2
assign (residue 4 and name h6) (residue 4 and name h3') 2 0 2

      { residue C5-T from nmr }
assign (residue 5 and name h1') (residue 5 and name h2'') 1.8 0 1.2
assign (residue 5 and name h1') (residue 5 and name h3') 2 0 2
assign (residue 5 and name h1') (residue 5 and name h4') 2 0 2
assign (residue 5 and name h1') (residue 22 and name h6) 3 0 2  { inter-hairpins NOE }
assign (residue 5 and name h2'') (residue 22 and name h5) 1.8 0 1.2 { inter-hairpins NOE }
assign (residue 5 and name h2'') (residue 22 and name h6) 2 0 2  { inter-hairpins NOE }
assign (residue 5 and name h3') (residue 22 and name h5) 2 0 2 { inter-hairpins NOE }
assign (residue 5 and name h5) (residue 5 and name h1') 4 0 3
assign (residue 5 and name h6) (residue 5 and name h1') 2 0 2
assign (residue 5 and name h6) (residue 5 and name h2'') 3 0 2
assign (residue 5 and name h6) (residue 5 and name h3') 3 0 2

      { residue C6-T from nmr }
assign (residue 6 and name h1') (residue 6 and name h2'') 1.8 0 1.2
assign (residue 6 and name h1') (residue 6 and name h3') 2 0 2
assign (residue 6 and name h1') (residue 7 and name h5) 4 0 3
assign (residue 6 and name h1') (residue 7 and name h6) 3 0 2
assign (residue 6 and name h2'') (residue 7 and name h5) 2 0 2
assign (residue 6 and name h2'') (residue 7 and name h6) 1.8 0 1.2
assign (residue 6 and name h3') (residue 7 and name h6) 2 0 2
assign (residue 6 and name h5) (residue 7 and name h5) 3 0 2
assign (residue 6 and name h6) (residue 6 and name h1') 2 0 2
assign (residue 6 and name h6) (residue 6 and name h2'') 3 0 2
assign (residue 6 and name h6) (residue 6 and name h3') 2 0 2
assign (residue 6 and name h6) (residue 7 and name h5) 4 0 3

      { residue U7-T from nmr }
assign (residue 7 and name h1') (residue 7 and name h2'') 1.8 0 1.2
assign (residue 7 and name h1') (residue 8 and name h8) 3 0 2
assign (residue 7 and name h2'') (residue 8 and name h8) 1.8 0 1.2
assign (residue 7 and name h3') (residue 8 and name h8)2 0 2
assign (residue 7 and name h5) (residue 8 and name h8) 4 0 3
assign (residue 7 and name h6) (residue 7 and name h1') 2 0 2
assign (residue 7 and name h6) (residue 7 and name h2'') 3 0 2
assign (residue 7 and name h6) (residue 7 and name h3') 2 0 2
assign (residue 7 and name h6) (residue 8 and name h8) 3 0 2
assign (residue 7 and name h3) (residue 6 and name h5) 4 0 3 { U7-NH to C6-H5 }

      { residue G8-T from nmr }
assign (residue 8 and name h1') (residue 8 and name h2'') 1.8 0 1.2
assign (residue 8 and name h1') (residue 8 and name h3') 2 0 2
assign (residue 8 and name h1') (residue 8 and name h4') 2 0 2
assign (residue 8 and name h1') (residue 9 and name h8) 3 0 2
assign (residue 8 and name h2'') (residue 9 and name h8) 1.8 0 1.2
assign (residue 8 and name h3') (residue 9 and name h8) 2 0 2
assign (residue 8 and name h8) (residue 8 and name h1') 2 0 2
assign (residue 8 and name h8) (residue 8 and name h2'') 3 0 2
assign (residue 8 and name h8) (residue 8 and name h3') 2 0 2
assign (residue 8 and name h8) (residue 9 and name h8) 3 0 2
assign (residue 8 and name h1) (residue 9 and name h1') 4 0 3 {G8-NH to G9-H1'}
assign (residue 8 and name h1) (residue 25 and name h5) 3 0 2 { G8-NH to C*9-H5 } 
assign (residue 8 and name h1) (residue 25 and name h6) 3 0 2 { G8-NH to C*9-H6 }
assign (residue 8 and name h1) (residue 25 and name h41) 1.8 0 1.2 { G8-NH to C*9-NH2 } 
assign (residue 8 and name h1) (residue 25 and name h42) 3 0 2 { G8-NH to C*9-NH2 } 
assign (residue 8 and name h1) (residue 26 and name h1') 3 0 2 {G8-NH to A*10-H1'}

      { residue G9-T from nmr }
assign (residue 9 and name h1') (residue 9 and name h2'') 1.8 0 1.2
assign (residue 9 and name h1') (residue 10 and name h8) 3 0 2
assign (residue 9 and name h2'') (residue 10 and name h8) 1.8 0 1.2
assign (residue 9 and name h3') (residue 10 and name h8) 2 0 2
assign (residue 9 and name h8) (residue 9 and name h1') 2 0 2
assign (residue 9 and name h8) (residue 9 and name h2'')3 0 2
assign (residue 9 and name h8) (residue 9 and name h3') 2 0 2
assign (residue 9 and name h8) (residue 10 and name h8) 3 0 2
assign (residue 9 and name h1) (residue 9 and name h21) 1.8 0 1.2 { G9-NH to G9-NH2 } 
assign (residue 9 and name h1) (residue 9 and name h22) 3 0 2 { G9-NH to G9-NH2 }
assign (residue 9 and name h1) (residue 25 and name h1') 4 0 3 {G9-NH to C*9-H1'}
assign (residue 9 and name h1) (residue 24 and name h5) 3 0 2 { G9-NH to C*8-H5 } 
assign (residue 9 and name h1) (residue 24 and name h6) 3 0 2 { G9-NH to C*8-H6 }
assign (residue 9 and name h1) (residue 24 and name h41) 1.8 0 1.2 { G9-NH to C*8-NH2 } 
assign (residue 9 and name h1) (residue 24 and name h42) 3 0 2 { G9-NH to C*8-NH2 } 


      { residue G10-T from nmr }
assign (residue 10 and name h1') (residue 10 and name h2'') 1.8 0 1.2
assign (residue 10 and name h1') (residue 11 and name h8) 3 0 2
assign (residue 10 and name h2'') (residue 11 and name h8) 1.8 0 1.2
assign (residue 10 and name h3') (residue 11 and name h8) 2 0 2
assign (residue 10 and name h8) (residue 10 and name h1') 2 0 2
assign (residue 10 and name h8) (residue 10 and name h2'') 3 0 2
assign (residue 10 and name h8) (residue 10 and name h3') 2 0 2
assign (residue 10 and name h8) (residue 11 and name h8) 3 0 2
assign (residue 10 and name h1) (residue 11 and name h1') 3 0 2 {G10-NH to A11-H1'}
assign (residue 10 and name h1) (residue 23 and name h5) 3 0 2 { G10-NH to C*7-H5 } 
assign (residue 10 and name h1) (residue 23 and name h6) 3 0 2 { G10-NH to C*7-H6 }
assign (residue 10 and name h1) (residue 23 and name h41) 1.8 0 1.2 { G10-NH to C*7-NH2 } 
assign (residue 10 and name h1) (residue 23 and name h42) 3 0 2 { G10-NH to C*7-NH2 } 

      { residue A11-T from nmr }
assign (residue 11 and name h1') (residue 11 and name h2'') 1.8 0 1.2
assign (residue 11 and name h1') (residue 11 and name h3') 2 0 2
assign (residue 11 and name h1') (residue 11 and name h4') 2 0 2
assign (residue 11 and name h1') (residue 12 and name h8) 3 0 2
assign (residue 11 and name h2'') (residue 12 and name h8) 1.8 0 1.2
assign (residue 11 and name h3') (residue 12 and name h8) 2 0 2
assign (residue 11 and name h2) (residue 12 and name h1') 1.8 0 1.2
assign (residue 11 and name h2) (residue 12 and name h8) 4 0 3
assign (residue 11 and name h2) (residue 23 and name h1') 3 0 2 {inter-hairpin A11 H2-C*7 H1'}
assign (residue 11 and name h8) (residue 11 and name h1') 2 0 2
assign (residue 11 and name h8) (residue 11 and name h2'') 3 0 2
assign (residue 11 and name h8) (residue 11 and name h3') 2 0 2
assign (residue 11 and name h8) (residue 12 and name h8) 3 0 2


      { residue G12-T from nmr }
assign (residue 12 and name h1') (residue 12 and name h2'') 1.8 0 1.2
assign (residue 12 and name h1') (residue 12 and name h4') 2 0 2
assign (residue 12 and name h1') (residue 13 and name h8) 3 0 2
assign (residue 12 and name h2'') (residue 13 and name h8) 1.8 0 1.2
assign (residue 12 and name h3') (residue 13 and name h8) 2 0 2
assign (residue 12 and name h8) (residue 12 and name h1') 2 0 2
assign (residue 12 and name h8) (residue 12 and name h2'') 3 0 2
assign (residue 12 and name h8) (residue 12 and name h3') 2 0 2
assign (residue 12 and name h8) (residue 13 and name h8) 3 0 2
assign (residue 12 and name h1) (residue 5 and name h41) 1.8 0 1.2 { G12-NH to C5-NH2 } 
assign (residue 12 and name h1) (residue 5 and name h42) 3 0 2 { G12-NH to C5-NH2 } 
 
      { residue G13-T from nmr }
assign (residue 13 and name h1') (residue 13 and name h2'') 1.8 0 1.2
assign (residue 13 and name h1') (residue 13 and name h3') 2 0 2
assign (residue 13 and name h1') (residue 13 and name h4') 2 0 2
assign (residue 13 and name h1') (residue 14 and name h6) 3 0 2
assign (residue 13 and name h2'') (residue 14 and name h5) 2 0 2
assign (residue 13 and name h2'') (residue 14 and name h6) 1.8 0 1.2
assign (residue 13 and name h3') (residue 14 and name h5) 2 0 2
assign (residue 13 and name h3') (residue 14 and name h6) 2 0 2
assign (residue 13 and name h8) (residue 13 and name h1') 2 0 2
assign (residue 13 and name h8) (residue 13 and name h2'') 3 0 2
assign (residue 13 and name h8) (residue 13 and name h3') 2 0 2
assign (residue 13 and name h8) (residue 14 and name h6) 3 0 2
assign (residue 13 and name h1) (residue 4 and name h5) 3 0 2 { G13-NH to C4-H5 }
assign (residue 13 and name h1) (residue 4 and name h41) 1.8 0 1.2 { G13-NH to C4-NH2 } 
assign (residue 13 and name h1) (residue 4 and name h42) 3 0 2 { G13-NH to C4-NH2 }
assign (residue 13 and name h1) (residue 14 and name h1') 4 0 3 { G13-NH to C14-H1' }
 
      { residue C14-T from nmr }
assign (residue 14 and name h1') (residue 14 and name h2'') 1.8 0 1.2
assign (residue 14 and name h1') (residue 14 and name h4') 2 0 2
assign (residue 14 and name h1') (residue 15 and name h6) 3 0 2
assign (residue 14 and name h2'') (residue 15 and name h5) 2 0 2
assign (residue 14 and name h2'') (residue 15 and name h6) 1.8 0 1.2
assign (residue 14 and name h3') (residue 15 and name h6) 2 0 2
assign (residue 14 and name h5) (residue 15 and name h5) 3 0 2
assign (residue 14 and name h6) (residue 14 and name h1') 2 0 2
assign (residue 14 and name h6) (residue 14 and name h2'') 3 0 2
assign (residue 14 and name h6) (residue 14 and name h3') 2 0 2

      { residue U15-T from nmr }
assign (residue 15 and name h1') (residue 15 and name h2'') 1.8 0 1.2
assign (residue 15 and name h1') (residue 16 and name h6) 3 0 2
assign (residue 15 and name h2'') (residue 16 and name h6) 1.8 0 1.2
assign (residue 15 and name h3') (residue 16 and name h6) 2 0 2
assign (residue 15 and name h5) (residue 14 and name h6) 4 0 3
assign (residue 15 and name h5) (residue 16 and name h5) 3 0 2
assign (residue 15 and name h6) (residue 15 and name h1') 2 0 2
assign (residue 15 and name h6) (residue 15 and name h2'') 3 0 2
assign (residue 15 and name h6) (residue 15 and name h3') 2 0 2
assign (residue 15 and name h6) (residue 16 and name h6) 3 0 2

      { residue C16-T from nmr }
assign (residue 16 and name h1') (residue 16 and name h2'') 1.8 0 1.2
assign (residue 16 and name h1') (residue 16 and name h4') 2 0 2
assign (residue 16 and name h6) (residue 16 and name h1') 2 0 2
assign (residue 16 and name h6) (residue 16 and name h2') 3 0 2
assign (residue 16 and name h6) (residue 16 and name h3') 2 0 2



{ T*-16 }

      { residue G17-T* from nmr }
assign (residue 17 and name h1') (residue 17 and name h2'') 1.8 0 1.2
assign (residue 17 and name h1') (residue 17 and name h3') 2 0 2
assign (residue 17 and name h1') (residue 17 and name h4') 2 0 2
assign (residue 17 and name h1') (residue 17 and name h5'') 4 0 3
assign (residue 17 and name h1') (residue 18 and name h5) 4 0 3
assign (residue 17 and name h1') (residue 18 and name h6) 3 0 2
assign (residue 17 and name h2'') (residue 18 and name h5) 3 0 2
assign (residue 17 and name h2'') (residue 18 and name h6) 1.8 0 1.2
assign (residue 17 and name h3') (residue 18 and name h5) 3 0 2
assign (residue 17 and name h3') (residue 18 and name h6) 2 0 2
assign (residue 17 and name h8) (residue 17 and name h1') 2 0 2
assign (residue 17 and name h8) (residue 17 and name h2'') 3 0 2
assign (residue 17 and name h8) (residue 17 and name h3') 2 0 2
assign (residue 17 and name h8) (residue 17 and name h4') 3 0 2
assign (residue 17 and name h8) (residue 17 and name h5'') 3 0 2
assign (residue 17 and name h8) (residue 18 and name h5) 4 0 3
assign (residue 17 and name h8) (residue 18 and name h6) 3 0 2

      { residue C18-T* from nmr }
assign (residue 18 and name h1') (residue 18 and name h2'') 1.8 0 1.2
assign (residue 18 and name h1') (residue 19 and name h6) 3 0 2
assign (residue 18 and name h2'') (residue 19 and name h5) 2 0 2
assign (residue 18 and name h2'') (residue 19 and name h6) 1.8 0 1.2
assign (residue 18 and name h3') (residue 19 and name h5) 2 0 2
assign (residue 18 and name h3') (residue 19 and name h6) 2 0 2
assign (residue 18 and name h6) (residue 18 and name h1') 2 0 2
assign (residue 18 and name h6) (residue 18 and name h2'') 3 0 2
assign (residue 18 and name h6) (residue 18 and name h3') 2 0 2
assign (residue 18 and name h6) (residue 18 and name h4') 3 0 2

   
      { residue U19-T* from nmr }
assign (residue 19 and name h1') (residue 19 and name h2'') 1.8 0 1.2
assign (residue 19 and name h1') (residue 19 and name h3') 2 0 2
assign (residue 19 and name h1') (residue 19 and name h4') 2 0 2
assign (residue 19 and name h1') (residue 20 and name h8) 3 0 2
assign (residue 19 and name h2'') (residue 20 and name h8) 1.8 0 1.2
assign (residue 19 and name h3') (residue 20 and name h8) 2 0 2
assign (residue 19 and name h6) (residue 19 and name h1') 2 0 2
assign (residue 19 and name h6) (residue 19 and name h2'') 3 0 2
assign (residue 19 and name h6) (residue 19 and name h3') 2 0 2
assign (residue 19 and name h6) (residue 19 and name h4') 3 0 2

      { residue G20-T* from nmr }
assign (residue 20 and name h1') (residue 20 and name h2'') 1.8 0 1.2
assign (residue 20 and name h1') (residue 21 and name h5) 4 0 3
assign (residue 20 and name h1') (residue 21 and name h6) 3 0 2
assign (residue 20 and name h2'') (residue 21 and name h5) 2 0 2
assign (residue 20 and name h2'') (residue 21 and name h6) 1.8 0 1.2
assign (residue 20 and name h3') (residue 21 and name h5) 3 0 2
assign (residue 20 and name h8) (residue 20 and name h1') 2 0 2
assign (residue 20 and name h8) (residue 20 and name h2'') 3 0 2
assign (residue 20 and name h1) (residue 21 and name h6) 4 0 3 { G*4-NH to U*5-H6 ? } 
assign (residue 20 and name h1) (residue 29 and name h41) 1.8 0 1.2 { G*4-NH to C*13-NH2 } 
assign (residue 20 and name h1) (residue 29 and name h42) 3 0 2 { G*4-NH to C*13-NH2 }   
assign (residue 20 and name h1) (residue 30 and name h1') 4 0 3 { G*4-NH to A*14-H1' }
assign (residue 20 and name h1) (residue 30 and name h8) 4 0 3 { G*4-NH to A*14-H8 ? }
 
      { residue U21-T* from nmr }
assign (residue 21 and name h1') (residue 21 and name h2'') 1.8 0 1.2
assign (residue 21 and name h1') (residue 21 and name h4') 2 0 2
assign (residue 21 and name h1') (residue 6 and name h6) 4 0 3   { inter-hairpin NOE }
assign (residue 21 and name h2'') (residue 6 and name h5) 1.8 0 1.2 { inter-hairpin NOE }
assign (residue 21 and name h2'') (residue 6 and name h6) 3 0 2  { inter-hairpin NOE }
assign (residue 21 and name h6) (residue 21 and name h1') 2 0 2
assign (residue 21 and name h6) (residue 21 and name h2'') 3 0 2
assign (residue 21 and name h6) (residue 21 and name h3') 2 0 2
assign (residue 21 and name h6) (residue 21 and name h4') 3 0 2

      { residue U22-T* from nmr }
assign (residue 22 and name h1') (residue 22 and name h2'') 1.8 0 1.2
assign (residue 22 and name h1') (residue 22 and name h3') 2 0 2
assign (residue 22 and name h1') (residue 22 and name h4') 2 0 2
assign (residue 22 and name h1') (residue 23 and name h5) 4 0 3
assign (residue 22 and name h1') (residue 23 and name h6) 3 0 2
assign (residue 22 and name h2'') (residue 23 and name h6) 1.8 0 1.2
assign (residue 22 and name h3') (residue 23 and name h5) 2 0 2
assign (residue 22 and name h3') (residue 23 and name h6) 2 0 2
assign (residue 22 and name h6) (residue 22 and name h1') 2 0 2
assign (residue 22 and name h6) (residue 22 and name h2'') 3 0 2
assign (residue 22 and name h6) (residue 22 and name h3') 2 0 2
assign (residue 22 and name h6) (residue 22 and name h4') 3 0 2
assign (residue 22 and name h6) (residue 23 and name h6) 3 0 2

      { residue C23-T* from nmr }
assign (residue 23 and name h1') (residue 23 and name h2'') 1.8 0 1.2
assign (residue 23 and name h1') (residue 23 and name h3') 2 0 2
assign (residue 23 and name h1') (residue 23 and name h4') 2 0 2
assign (residue 23 and name h1') (residue 24 and name h5) 4 0 3
assign (residue 23 and name h1') (residue 24 and name h6) 3 0 2
assign (residue 23 and name h2'') (residue 24 and name h5) 2 0 2
assign (residue 23 and name h2'') (residue 24 and name h6) 1.8 0 1.2
assign (residue 23 and name h3') (residue 24 and name h5) 2 0 2
assign (residue 23 and name h3') (residue 24 and name h6) 2 0 2
assign (residue 23 and name h5) (residue 24 and name h1') 4 0 3
assign (residue 23 and name h5) (residue 24 and name h5) 3 0 2
assign (residue 23 and name h6) (residue 23 and name h1') 2 0 2
assign (residue 23 and name h6) (residue 23 and name h2'') 3 0 2
assign (residue 23 and name h6) (residue 24 and name h5) 4 0 3
assign (residue 23 and name h6) (residue 24 and name h6) 3 0 2

      { residue C24-T* from nmr }
assign (residue 24 and name h1') (residue 24 and name h2'') 1.8 0 1.2
assign (residue 24 and name h1') (residue 24 and name h3') 2 0 2
assign (residue 24 and name h1') (residue 24 and name h4') 2 0 2
assign (residue 24 and name h1') (residue 25 and name h5) 4 0 3
assign (residue 24 and name h1') (residue 25 and name h6) 3 0 2
assign (residue 24 and name h2'') (residue 25 and name h5) 2 0 2
assign (residue 24 and name h2'') (residue 25 and name h6) 1.8 0 1.2
assign (residue 24 and name h3') (residue 25 and name h5) 2 0 2
assign (residue 24 and name h3') (residue 25 and name h6) 2 0 2
assign (residue 24 and name h6) (residue 24 and name h1') 2 0 2
assign (residue 24 and name h6) (residue 24 and name h2'') 3 0 2
assign (residue 24 and name h6) (residue 24 and name h3') 2 0 2
assign (residue 24 and name h6) (residue 24 and name h5'') 2 0 2
assign (residue 24 and name h6) (residue 25 and name h6) 3 0 2

      { residue C25-T* from nmr }
assign (residue 25 and name h1') (residue 25 and name h2'') 1.8 0 1.2
assign (residue 25 and name h1') (residue 25 and name h3') 2 0 2
assign (residue 25 and name h1') (residue 25 and name h4') 2 0 2
assign (residue 25 and name h1') (residue 26 and name h8) 3 0 2
assign (residue 25 and name h2'') (residue 26 and name h8) 1.8 0 1.2
assign (residue 25 and name h3') (residue 26 and name h8) 2 0 2
assign (residue 25 and name h6) (residue 25 and name h1') 2 0 2
assign (residue 25 and name h6) (residue 25 and name h2'') 3 0 2
assign (residue 25 and name h6) (residue 25 and name h3') 2 0 2
assign (residue 25 and name h6) (residue 25 and name h4') 3 0 2
   
      { residue A26-T* from nmr }
assign (residue 26 and name h1') (residue 26 and name h2'') 1.8 0 1.2
assign (residue 26 and name h1') (residue 27 and name h1' ) 4 0 3 { A*10-H1' to G*11-H1' }
assign (residue 26 and name h1') (residue 27 and name h8 ) 3 0 2
assign (residue 26 and name h2'') (residue 27 and name h8) 2 0 2
assign (residue 26 and name h2) (residue 27 and name h1') 1.8 0 1.2
assign (residue 26 and name h2) (residue 27 and name h2') 3 0 2 { A*10-H2 to G*11-H2' ? }
assign (residue 26 and name h2) (residue 27 and name h8) 4 0 3
assign (residue 26 and name h2) (residue 28 and name h8) 4 0 3 { A*10-H2 to A*12-H8 ? }
assign (residue 26 and name h2) (residue 7 and name h3) 1.8 0 1.2  { Ah2-NH }
assign (residue 26 and name h2) (residue 8 and name h1') 3 0 2 { inter-hairpin loop-loop Ah2-H1' NOE }
assign (residue 26 and name h8) (residue 26 and name h1') 2 0 2
assign (residue 26 and name h8) (residue 26 and name h2'') 3 0 2
assign (residue 26 and name h8) (residue 27 and name h8) 3 0 2   

      { residue G27-T* from nmr }
assign (residue 27 and name h1') (residue 27 and name h2'') 1.8 0 1.2
assign (residue 27 and name h1') (residue 27 and name h3') 2 0 2
assign (residue 27 and name h1') (residue 27 and name h4') 2 0 2
assign (residue 27 and name h1') (residue 27 and name h5'') 4 0 3
assign (residue 27 and name h1') (residue 27 and name h5') 4 0 3
assign (residue 27 and name h1') (residue 28 and name h8 ) 3 0 2
assign (residue 27 and name h2'') (residue 28 and name h8) 1.8 0 1.2
assign (residue 27 and name h3') (residue 28 and name h8) 2 0 2
assign (residue 27 and name h8) (residue 27 and name h1') 2 0 2
assign (residue 27 and name h8) (residue 27 and name h2'') 3 0 2
assign (residue 27 and name h8) (residue 27 and name h3') 2 0 2
assign (residue 27 and name h8) (residue 27 and name h4') 3 0 2
assign (residue 27 and name h8) (residue 27 and name h5'') 3 0 2
assign (residue 27 and name h8) (residue 27 and name h5') 3 0 2
assign (residue 27 and name h8) (residue 28 and name h2) 4 0 3   
assign (residue 27 and name h8) (residue 28 and name h8) 3 0 2  
assign (residue 27 and name h1) (residue 21 and name h6) 4 0 3 { G*11-NH to U*5-H6 ? } 
assign (residue 27 and name h1) (residue 28 and name h1') 4 0 3 { G*11-NH to A*12-H1' }
assign (residue 27 and name h1) (residue 6 and name h41) 1.8 0 1.2 { G*11-NH to C6-NH2 } 
assign (residue 27 and name h1) (residue 6 and name h42) 3 0 2 { G*11-NH to C6-NH2 }

   
      { residue A28-T* from nmr }
assign (residue 28 and name h1') (residue 28 and name h2'') 1.8 0 1.2
assign (residue 28 and name h1') (residue 28 and name h3') 2 0 2
assign (residue 28 and name h1') (residue 28 and name h4') 2 0 2
assign (residue 28 and name h1') (residue 29 and name h5 ) 3 0 2
assign (residue 28 and name h1') (residue 29 and name h6 ) 3 0 2
assign (residue 28 and name h2'') (residue 29 and name h5) 2 0 2
assign (residue 28 and name h2'') (residue 29 and name h6) 1.8 0 1.2
assign (residue 28 and name h3') (residue 29 and name h5) 2 0 2
assign (residue 28 and name h3') (residue 29 and name h6) 2 0 2
assign (residue 28 and name h2) (residue 29 and name h1') 3 0 2
assign (residue 28 and name h2) (residue 30 and name h2) 4 0 3 { A*12-H2 to A*14-H2 ? }
assign (residue 28 and name h2) (residue 6 and name h1') 3 0 2  { inter-hairpin  Ah2-H1' NOE }
assign (residue 28 and name h8) (residue 28 and name h1') 2 0 2
assign (residue 28 and name h8) (residue 28 and name h2'') 3 0 2
assign (residue 28 and name h8) (residue 28 and name h3') 2 0 2
assign (residue 28 and name h8) (residue 29 and name h5) 4 0 3   
assign (residue 28 and name h8) (residue 29 and name h6) 3 0 2   


      { residue C29-T* from nmr }
assign (residue 29 and name h1') (residue 29 and name h2'') 1.8 0 1.2
assign (residue 29 and name h1') (residue 29 and name h3') 2 0 2
assign (residue 29 and name h1') (residue 29 and name h4') 2 0 2
assign (residue 29 and name h1') (residue 30 and name h8) 3 0 2
assign (residue 29 and name h2'') (residue 30 and name h8) 1.8 0 1.2
assign (residue 29 and name h3') (residue 30 and name h8) 2 0 2
assign (residue 29 and name h6) (residue 29 and name h1') 2 0 2
assign (residue 29 and name h6) (residue 29 and name h2'') 3 0 2
assign (residue 29 and name h6) (residue 29 and name h3') 2 0 2
assign (residue 29 and name h6) (residue 29 and name h4') 4 0 3
assign (residue 29 and name h6) (residue 29 and name h5'') 4 0 3
assign (residue 29 and name h6) (residue 30 and name h8) 3 0 2
   
      { residue A30-T* from nmr }
assign (residue 30 and name h1') (residue 30 and name h2'') 1.8 0 1.2
assign (residue 30 and name h1') (residue 30 and name h3') 2 0 2
assign (residue 30 and name h1') (residue 30 and name h4') 2 0 2
assign (residue 30 and name h1') (residue 30 and name h5'') 4 0 3
assign (residue 30 and name h1') (residue 31 and name h8)3 0 2
assign (residue 30 and name h2'') (residue 31 and name h8) 1.8 0 1.2
assign (residue 30 and name h3') (residue 31 and name h8) 4 0 3
assign (residue 30 and name h2) (residue 30 and name h1') 3 0 2
assign (residue 30 and name h2) (residue 31 and name h1') 3 0 2
assign (residue 30 and name h2) (residue 19 and name h3) 1.8 0 1.2   { Ah2-NH }
assign (residue 30 and name h2) (residue 20 and name h1') 3 0 2 { cross-strand  Ah2-H1' NOE }
assign (residue 30 and name h8) (residue 30 and name h1') 2 0 2
assign (residue 30 and name h8) (residue 30 and name h2'') 3 0 2
assign (residue 30 and name h8) (residue 30 and name h3') 2 0 2
assign (residue 30 and name h8) (residue 30 and name h4') 4 0 3
assign (residue 30 and name h8) (residue 30 and name h5'') 4 0 3
assign (residue 30 and name h8) (residue 31 and name h8) 3 0 2   


      { residue G31-T* from nmr }
assign (residue 31 and name h1') (residue 31 and name h2'') 1.8 0 1.2
assign (residue 31 and name h1') (residue 31 and name h3') 2 0 2
assign (residue 31 and name h1') (residue 31 and name h4') 2 0 2
assign (residue 31 and name h1') (residue 32 and name h6 ) 3 0 2
assign (residue 31 and name h2'') (residue 32 and name h5) 2 0 2
assign (residue 31 and name h2'') (residue 32 and name h6) 1.8 0 1.2
assign (residue 31 and name h3') (residue 32 and name h5) 2 0 2
assign (residue 31 and name h3') (residue 32 and name h6) 2 0 2
assign (residue 31 and name h8) (residue 31 and name h1') 2 0 2
assign (residue 31 and name h8) (residue 31 and name h2'') 3 0 2
assign (residue 31 and name h8) (residue 31 and name h3') 2 0 2
assign (residue 31 and name h8) (residue 31 and name h4') 3 0 2
assign (residue 31 and name h8) (residue 31 and name h5'') 3 0 2
assign (residue 31 and name h8) (residue 32 and name h5) 4 0 3
assign (residue 31 and name h8) (residue 32 and name h6) 3 0 2  
assign (residue 31 and name h1) (residue 18 and name h41) 1.8 0 1.2 { G*15-NH to C*2-NH2 } 
assign (residue 31 and name h1) (residue 18 and name h42) 3 0 2 { G*15-NH to C*2-NH2 }

      { residue C32-T* from nmr }
assign (residue 32 and name h1') (residue 32 and name h2'') 1.8 0 1.2
assign (residue 32 and name h1') (residue 32 and name h3') 2 0 2
assign (residue 32 and name h1') (residue 32 and name h4') 2 0 2
assign (residue 32 and name h5) (residue 32 and name h2'') 4 0 3
assign (residue 32 and name h5) (residue 32 and name h4') 4 0 3
assign (residue 32 and name h6) (residue 32 and name h1') 2 0 2
assign (residue 32 and name h6) (residue 32 and name h2'') 3 0 2
assign (residue 32 and name h6) (residue 32 and name h3') 2 0 2 




{------------------------TORSION ANGLE CONSTRAINTS---------------------}



constraints
    dihedral
      reset

{ keep amino groups in the plane of the base }

assign (residue 1 and name h22) (residue 1 and name n2)
       (residue 1 and name c2) (residue 1 and name n3) 10 0 5 2
assign (residue 2 and name h62) (residue 2 and name n6)
       (residue 2 and name c6) (residue 2 and name c5) 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 4 and name h42) (residue 4 and name n4)
       (residue 4 and name c4) (residue 4 and name c5) 10 0 5 2
assign (residue 5 and name h42) (residue 5 and name n4)
       (residue 5 and name c4) (residue 5 and name c5) 10 0 5 2
assign (residue 6 and name h42) (residue 6 and name n4)
       (residue 6 and name c4) (residue 6 and name c5) 10 0 5 2
assign (residue 8 and name h22) (residue 8 and name n2)
       (residue 8 and name c2) (residue 8 and name n3) 10 0 5 2
assign (residue 9 and name h22) (residue 9 and name n2)
       (residue 9 and name c2) (residue 9 and name n3) 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 h62) (residue 11 and name n6)
       (residue 11 and name c6) (residue 11 and name c5) 10 0 5 2
assign (residue 12 and name h22) (residue 12 and name n2)
       (residue 12 and name c2) (residue 12 and name n3) 10 0 5 2
assign (residue 13 and name h22) (residue 13 and name n2)
       (residue 13 and name c2) (residue 13 and name n3) 10 0 5 2
assign (residue 14 and name h42) (residue 14 and name n4)
       (residue 14 and name c4) (residue 14 and name c5) 10 0 5 2
assign (residue 16 and name h42) (residue 16 and name n4)
       (residue 16 and name c4) (residue 16 and name c5) 10 0 5 2

assign (residue 17 and name h22) (residue 17 and name n2)
       (residue 17 and name c2) (residue 17 and name n3) 10 0 5 2
assign (residue 18 and name h42) (residue 18 and name n4)
       (residue 18 and name c4) (residue 18 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 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
assign (residue 25 and name h42) (residue 25 and name n4)
       (residue 25 and name c4) (residue 25 and name c5) 10 0 5 2
assign (residue 26 and name h62) (residue 26 and name n6)
       (residue 26 and name c6) (residue 26 and name c5) 10 0 5 2
assign (residue 27 and name h22) (residue 27 and name n2)
       (residue 27 and name c2) (residue 27 and name n3) 10 0 5 2
assign (residue 28 and name h62) (residue 28 and name n6)
       (residue 28 and name c6) (residue 28 and name c5) 10 0 5 2
assign (residue 29 and name h42) (residue 29 and name n4)
       (residue 29 and name c4) (residue 29 and name c5) 10 0 5 2
assign (residue 30 and name h62) (residue 30 and name n6)
       (residue 30 and name c6) (residue 30 and name c5) 10 0 5 2
assign (residue 31 and name h22) (residue 31 and name n2)
       (residue 31 and name c2) (residue 31 and name n3) 10 0 5 2
assign (residue 32 and name h42) (residue 32 and name n4)
       (residue 32 and name c4) (residue 32 and name c5) 10 0 5 2


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


assign (residue 1 and name c4') (residue 1 and name o4')
       (residue 1 and name c1') (residue 1 and name c2') 2 0 5 2
assign (residue 1 and name o4') (residue 1 and name c1')
       (residue 1 and name c2') (residue 1 and name c3') 2 -22 5 2
assign (residue 1 and name c1') (residue 1 and name c2')
       (residue 1 and name c3') (residue 1 and name c4') 2 36 5 2
assign (residue 1 and name c2') (residue 1 and name c3')
       (residue 1 and name c4') (residue 1 and name o4') 2 -36 5 2

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 6 and name c4') (residue 6 and name o4')
       (residue 6 and name c1') (residue 6 and name c2') 2 0 5 2
assign (residue 6 and name o4') (residue 6 and name c1')
       (residue 6 and name c2') (residue 6 and name c3') 2 -22 5 2
assign (residue 6 and name c1') (residue 6 and name c2')
       (residue 6 and name c3') (residue 6 and name c4') 2 36 5 2
assign (residue 6 and name c2') (residue 6 and name c3')
       (residue 6 and name c4') (residue 6 and name o4') 2 -36 5 2 

assign (residue 7 and name c4') (residue 7 and name o4')
       (residue 7 and name c1') (residue 7 and name c2') 2 0 5 2
assign (residue 7 and name o4') (residue 7 and name c1')
       (residue 7 and name c2') (residue 7 and name c3') 2 -22 5 2
assign (residue 7 and name c1') (residue 7 and name c2')
       (residue 7 and name c3') (residue 7 and name c4') 2 36 5 2
assign (residue 7 and name c2') (residue 7 and name c3')
       (residue 7 and name c4') (residue 7 and name o4') 2 -36 5 2

assign (residue 8 and name c4') (residue 8 and name o4')
       (residue 8 and name c1') (residue 8 and name c2') 2 0 5 2
assign (residue 8 and name o4') (residue 8 and name c1')
       (residue 8 and name c2') (residue 8 and name c3') 2 -22 5 2
assign (residue 8 and name c1') (residue 8 and name c2')
       (residue 8 and name c3') (residue 8 and name c4') 2 36 5 2
assign (residue 8 and name c2') (residue 8 and name c3')
       (residue 8 and name c4') (residue 8 and name o4') 2 -36 5 2

assign (residue 9 and name c4') (residue 9 and name o4')
       (residue 9 and name c1') (residue 9 and name c2') 2 0 5 2
assign (residue 9 and name o4') (residue 9 and name c1')
       (residue 9 and name c2') (residue 9 and name c3') 2 -22 5 2
assign (residue 9 and name c1') (residue 9 and name c2')
       (residue 9 and name c3') (residue 9 and name c4') 2 36 5 2
assign (residue 9 and name c2') (residue 9 and name c3')
       (residue 9 and name c4') (residue 9 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 14 and name c4') (residue 14 and name o4')
       (residue 14 and name c1') (residue 14 and name c2') 2 0 5 2
assign (residue 14 and name o4') (residue 14 and name c1')
       (residue 14 and name c2') (residue 14 and name c3') 2 -22 5 2
assign (residue 14 and name c1') (residue 14 and name c2')
       (residue 14 and name c3') (residue 14 and name c4') 2 36 5 2
assign (residue 14 and name c2') (residue 14 and name c3')
       (residue 14 and name c4') (residue 14 and name o4') 2 -36 5 2

assign (residue 15 and name c4') (residue 15 and name o4')
       (residue 15 and name c1') (residue 15 and name c2') 2 0 5 2
assign (residue 15 and name o4') (residue 15 and name c1')
       (residue 15 and name c2') (residue 15 and name c3') 2 -22 5 2
assign (residue 15 and name c1') (residue 15 and name c2')
       (residue 15 and name c3') (residue 15 and name c4') 2 36 5 2
assign (residue 15 and name c2') (residue 15 and name c3')
       (residue 15 and name c4') (residue 15 and name o4') 2 -36 5 2

assign (residue 16 and name c4') (residue 16 and name o4')
       (residue 16 and name c1') (residue 16 and name c2') 2 0 5 2
assign (residue 16 and name o4') (residue 16 and name c1')
       (residue 16 and name c2') (residue 16 and name c3') 2 -22 5 2
assign (residue 16 and name c1') (residue 16 and name c2')
       (residue 16 and name c3') (residue 16 and name c4') 2 36 5 2
assign (residue 16 and name c2') (residue 16 and name c3')
       (residue 16 and name c4') (residue 16 and name o4') 2 -36 5 2

assign (residue 17 and name c4') (residue 17 and name o4')
       (residue 17 and name c1') (residue 17 and name c2') 2 0 5 2
assign (residue 17 and name o4') (residue 17 and name c1')
       (residue 17 and name c2') (residue 17 and name c3') 2 -22 5 2
assign (residue 17 and name c1') (residue 17 and name c2')
       (residue 17 and name c3') (residue 17 and name c4') 2 36 5 2
assign (residue 17 and name c2') (residue 17 and name c3')
       (residue 17 and name c4') (residue 17 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 21 and name c4') (residue 21 and name o4')
       (residue 21 and name c1') (residue 21 and name c2') 2 0 5 2
assign (residue 21 and name o4') (residue 21 and name c1')
       (residue 21 and name c2') (residue 21 and name c3') 2 -22 5 2
assign (residue 21 and name c1') (residue 21 and name c2')
       (residue 21 and name c3') (residue 21 and name c4') 2 36 5 2
assign (residue 21 and name c2') (residue 21 and name c3')
       (residue 21 and name c4') (residue 21 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

assign (residue 25 and name c4') (residue 25 and name o4')
       (residue 25 and name c1') (residue 25 and name c2') 2 0 5 2
assign (residue 25 and name o4') (residue 25 and name c1')
       (residue 25 and name c2') (residue 25 and name c3') 2 -22 5 2
assign (residue 25 and name c1') (residue 25 and name c2')
       (residue 25 and name c3') (residue 25 and name c4') 2 36 5 2
assign (residue 25 and name c2') (residue 25 and name c3')
       (residue 25 and name c4') (residue 25 and name o4') 2 -36 5 2

assign (residue 26 and name c4') (residue 26 and name o4')
       (residue 26 and name c1') (residue 26 and name c2') 2 0 5 2
assign (residue 26 and name o4') (residue 26 and name c1')
       (residue 26 and name c2') (residue 26 and name c3') 2 -22 5 2
assign (residue 26 and name c1') (residue 26 and name c2')
       (residue 26 and name c3') (residue 26 and name c4') 2 36 5 2
assign (residue 26 and name c2') (residue 26 and name c3')
       (residue 26 and name c4') (residue 26 and name o4') 2 -36 5 2

assign (residue 27 and name c4') (residue 27 and name o4')
       (residue 27 and name c1') (residue 27 and name c2') 2 0 5 2
assign (residue 27 and name o4') (residue 27 and name c1')
       (residue 27 and name c2') (residue 27 and name c3') 2 -22 5 2
assign (residue 27 and name c1') (residue 27 and name c2')
       (residue 27 and name c3') (residue 27 and name c4') 2 36 5 2
assign (residue 27 and name c2') (residue 27 and name c3')
       (residue 27 and name c4') (residue 27 and name o4') 2 -36 5 2

assign (residue 28 and name c4') (residue 28 and name o4')
       (residue 28 and name c1') (residue 28 and name c2') 2 0 5 2
assign (residue 28 and name o4') (residue 28 and name c1')
       (residue 28 and name c2') (residue 28 and name c3') 2 -22 5 2
assign (residue 28 and name c1') (residue 28 and name c2')
       (residue 28 and name c3') (residue 28 and name c4') 2 36 5 2
assign (residue 28 and name c2') (residue 28 and name c3')
       (residue 28 and name c4') (residue 28 and name o4') 2 -36 5 2

assign (residue 29 and name c4') (residue 29 and name o4')
       (residue 29 and name c1') (residue 29 and name c2') 2 0 5 2
assign (residue 29 and name o4') (residue 29 and name c1')
       (residue 29 and name c2') (residue 29 and name c3') 2 -22 5 2
assign (residue 29 and name c1') (residue 29 and name c2')
       (residue 29 and name c3') (residue 29 and name c4') 2 36 5 2
assign (residue 29 and name c2') (residue 29 and name c3')
       (residue 29 and name c4') (residue 29 and name o4') 2 -36 5 2


assign (residue 30 and name c4') (residue 30 and name o4')
       (residue 30 and name c1') (residue 30 and name c2') 2 0 5 2
assign (residue 30 and name o4') (residue 30 and name c1')
       (residue 30 and name c2') (residue 30 and name c3') 2 -22 5 2
assign (residue 30 and name c1') (residue 30 and name c2')
       (residue 30 and name c3') (residue 30 and name c4') 2 36 5 2
assign (residue 30 and name c2') (residue 30 and name c3')
       (residue 30 and name c4') (residue 30 and name o4') 2 -36 5 2

assign (residue 31 and name c4') (residue 31 and name o4')
       (residue 31 and name c1') (residue 31 and name c2') 2 0 5 2
assign (residue 31 and name o4') (residue 31 and name c1')
       (residue 31 and name c2') (residue 31 and name c3') 2 -22 5 2
assign (residue 31 and name c1') (residue 31 and name c2')
       (residue 31 and name c3') (residue 31 and name c4') 2 36 5 2
assign (residue 31 and name c2') (residue 31 and name c3')
       (residue 31 and name c4') (residue 31 and name o4') 2 -36 5 2


assign (residue 32 and name c4') (residue 32 and name o4')
       (residue 32 and name c1') (residue 32 and name c2') 2 0 5 2
assign (residue 32 and name o4') (residue 32 and name c1')
       (residue 32 and name c2') (residue 32 and name c3') 2 -22 5 2
assign (residue 32 and name c1') (residue 32 and name c2')
       (residue 32 and name c3') (residue 32 and name c4') 2 36 5 2
assign (residue 32 and name c2') (residue 32 and name c3')
       (residue 32 and name c4') (residue 32 and name o4') 2 -36 5 2


{ restrain some nucletides to keep bases anti }

assign (residue 1 and name o4') (residue 1 and name c1')
       (residue 1 and name n9) (residue 1 and name c4) 2 -150 50 2
assign (residue 2 and name o4') (residue 2 and name c1')
       (residue 2 and name n9) (residue 2 and name c4) 2 -150 50 2
assign (residue 3 and name o4') (residue 3 and name c1')
       (residue 3 and name n9) (residue 3 and name c4) 2 -150 50 2
assign (residue 4 and name o4') (residue 4 and name c1')
       (residue 4 and name n1) (residue 4 and name c2) 2 -150 50 2
assign (residue 5 and name o4') (residue 5 and name c1')
       (residue 5 and name n1) (residue 5 and name c2) 2 -150 50 2
assign (residue 6 and name o4') (residue 6 and name c1')
       (residue 6 and name n1) (residue 6 and name c2) 2 -150 50 2
assign (residue 7 and name o4') (residue 7 and name c1')
       (residue 7 and name n1) (residue 7 and name c2) 2 -150 50 2
assign (residue 8 and name o4') (residue 8 and name c1')
       (residue 8 and name n9) (residue 8 and name c4) 2 -150 50 2
assign (residue 9 and name o4') (residue 9 and name c1')
       (residue 9 and name n9) (residue 9 and name c4) 2 -150 50 2
assign (residue 10 and name o4') (residue 10 and name c1')
       (residue 10 and name n9) (residue 10 and name c4) 2 -150 50 2
assign (residue 11 and name o4') (residue 11 and name c1')
       (residue 11 and name n9) (residue 11 and name c4) 2 -150 50 2
assign (residue 12 and name o4') (residue 12 and name c1')
       (residue 12 and name n9) (residue 12 and name c4) 2 -150 50 2
assign (residue 13 and name o4') (residue 13 and name c1')
       (residue 13 and name n9) (residue 13 and name c4) 2 -150 50 2
assign (residue 14 and name o4') (residue 14 and name c1')
       (residue 14 and name n1) (residue 14 and name c2) 2 -150 50 2
assign (residue 15 and name o4') (residue 15 and name c1')
       (residue 15 and name n1) (residue 15 and name c2) 2 -150 50 2
assign (residue 16 and name o4') (residue 16 and name c1')
       (residue 16 and name n1) (residue 16 and name c2) 2 -150 50 2

assign (residue 17 and name o4') (residue 17 and name c1')
       (residue 17 and name n9) (residue 17 and name c4) 2 -150 50 2
assign (residue 18 and name o4') (residue 18 and name c1')
       (residue 18 and name n1) (residue 18 and name c2) 2 -150 50 2
assign (residue 19 and name o4') (residue 19 and name c1')
       (residue 19 and name n1) (residue 19 and name c2) 2 -150 50 2
assign (residue 20 and name o4') (residue 20 and name c1')
       (residue 20 and name n9) (residue 20 and name c4) 2 -150 50 2
assign (residue 21 and name o4') (residue 21 and name c1')
       (residue 21 and name n1) (residue 21 and name c2) 2 -150 50 2
assign (residue 22 and name o4') (residue 22 and name c1')
       (residue 22 and name n1) (residue 22 and name c2) 2 -150 50 2
assign (residue 23 and name o4') (residue 23 and name c1')
       (residue 23 and name n1) (residue 23 and name c2) 2 -150 50 2
assign (residue 24 and name o4') (residue 24 and name c1')
       (residue 24 and name n1) (residue 24 and name c2) 2 -150 50 2
assign (residue 25 and name o4') (residue 25 and name c1')
       (residue 25 and name n1) (residue 25 and name c2) 2 -150 50 2
assign (residue 26 and name o4') (residue 26 and name c1')
       (residue 26 and name n9) (residue 26 and name c4) 2 -150 50 2
assign (residue 27 and name o4') (residue 27 and name c1')
       (residue 27 and name n9) (residue 27 and name c4) 2 -150 50 2
assign (residue 28 and name o4') (residue 28 and name c1')
       (residue 28 and name n9) (residue 28 and name c4) 2 -150 50 2
assign (residue 29 and name o4') (residue 29 and name c1')
       (residue 29 and name n1) (residue 29 and name c2) 2 -150 50 2
assign (residue 30 and name o4') (residue 30 and name c1')
       (residue 30 and name n9) (residue 30 and name c4) 2 -150 50 2
assign (residue 31 and name o4') (residue 31 and name c1')
       (residue 31 and name n9) (residue 31 and name c4) 2 -150 50 2
assign (residue 32 and name o4') (residue 32 and name c1')
       (residue 32 and name n1) (residue 32 and name c2) 2 -150 50 2

{ backbone torsion angle beta }


assign (residue 2 and name p) (residue 2 and name o5')
       (residue 2 and name c5') (residue 2 and name c4') 2 180 20 2
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 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 14 and name p) (residue 14 and name o5')
       (residue 14 and name c5') (residue 14 and name c4') 2 180 20 2
assign (residue 15 and name p) (residue 15 and name o5')
       (residue 15 and name c5') (residue 15 and name c4') 2 180 20 2
assign (residue 16 and name p) (residue 16 and name o5')
       (residue 16 and name c5') (residue 16 and name c4') 2 180 20 2


assign (residue 18 and name p) (residue 18 and name o5')
       (residue 18 and name c5') (residue 18 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 29 and name p) (residue 29 and name o5')
       (residue 29 and name c5') (residue 29 and name c4') 2 180 20 2
assign (residue 30 and name p) (residue 30 and name o5')
       (residue 30 and name c5') (residue 30 and name c4') 2 180 20 2
assign (residue 31 and name p) (residue 31 and name o5')
       (residue 31 and name c5') (residue 31 and name c4') 2 180 20 2
assign (residue 32 and name p) (residue 32 and name o5')
       (residue 32 and name c5') (residue 32 and name c4') 2 180 20 2

{ backbone torsion angle gamma }

assign (residue 1 and name o5') (residue 1 and name c5')
       (residue 1 and name c4') (residue 1 and name c3') 2 55 20 2
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 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 14 and name o5') (residue 14 and name c5')
       (residue 14 and name c4') (residue 14 and name c3') 2 55 20 2
assign (resiude 15 and name o5') (residue 15 and name c5')
       (residue 15 and name c4') (residue 15 and name c3') 2 55 20 2
assign (residue 16 and name o5') (residue 16 and name c5')
       (residue 16 and name c4') (residue 16 and name c3') 2 55 20 2

assign (residue 17 and name o5') (residue 17 and name c5')
       (residue 17 and name c4') (residue 17 and name c3') 2 55 20 2
assign (resiude 18 and name o5') (residue 18 and name c5')
       (residue 18 and name c4') (residue 18 and name c3') 2 55 20 2
assign (resiude 19 and name o5') (residue 19 and name c5')
       (residue 19 and name c4') (residue 19 and name c3') 2 55 20 2
assign (resiude 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 29 and name o5') (residue 29 and name c5')
       (residue 29 and name c4') (residue 29 and name c3') 2 55 20 2
assign (residue 30 and name o5') (residue 30 and name c5')
       (residue 30 and name c4') (residue 30 and name c3') 2 55 20 2
assign (residue 31 and name o5') (residue 31 and name c5')
       (residue 31 and name c4') (residue 31 and name c3') 2 55 20 2
assign (residue 32 and name o5') (residue 32 and name c5')
       (residue 32 and name c4') (residue 32 and name c3') 2 55 20 2

{ backbone torsion angle epsilon }

assign (residue 1 and name c4') (residue 1 and name c3')
       (residue 1 and name o3') (residue 2 and name p) 2 -155 20 2
assign (residue 2 and name c4') (residue 2 and name c3')
       (residue 2 and name o3') (residue 3 and name p) 2 -155 20 2
assign (residue 3 and name c4') (residue 3 and name c3')
       (residue 3 and name o3') (residue 4 and name p) 2 -155 20 2

assign (residue 12 and name c4') (residue 12 and name c3')
       (residue 12 and name o3') (residue 13 and name p) 2 -155 20 2
assign (residue 13 and name c4') (residue 13 and name c3')
       (residue 13 and name o3') (residue 14 and name p) 2 -155 20 2
assign (residue 14 and name c4') (residue 14 and name c3')
       (residue 14 and name o3') (residue 15 and name p) 2 -155 20 2
assign (residue 15 and name c4') (residue 15 and name c3')
       (residue 15 and name o3') (residue 16 and name p) 2 -155 20 2


assign (residue 17 and name c4') (residue 17 and name c3')
       (residue 17 and name o3') (residue 18 and name p) 2 -155 20 2
assign (residue 18 and name c4') (residue 18 and name c3')
       (residue 18 and name o3') (residue 19 and name p) 2 -155 20 2
assign (residue 19 and name c4') (residue 19 and name c3')
       (residue 19 and name o3') (residue 20 and name p) 2 -155 20 2

assign (residue 28 and name c4') (residue 28 and name c3')
       (residue 28 and name o3') (residue 29 and name p) 2 -155 20 2
assign (residue 29 and name c4') (residue 29 and name c3')
       (residue 29 and name o3') (residue 30 and name p) 2 -155 20 2
assign (residue 30 and name c4') (residue 30 and name c3')
       (residue 30 and name o3') (residue 31 and name p) 2 -155 20 2
assign (residue 31 and name c4') (residue 31 and name c3')
       (residue 31 and name o3') (residue 32 and name p) 2 -155 20 2

{ backbone torsion angle alpha }

assign (residue 1 and name o3') (residue 2 and name p)
       (residue 2 and name o5') (residue 2 and name c5') 2 -70 30 2
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 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 13 and name o3') (residue 14 and name p)
       (residue 14 and name o5') (residue 14 and name c5') 2 -70 30 2
assign (residue 14 and name o3') (residue 15 and name p)
       (residue 15 and name o5') (residue 15 and name c5') 2 -70 30 2
assign (residue 15 and name o3') (residue 16 and name p)
       (residue 16 and name o5') (residue 16 and name c5') 2 -70 30 2

assign (residue 17 and name o3') (residue 18 and name p)
       (residue 18 and name o5') (residue 18 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 28 and name o3') (residue 29 and name p)
       (residue 29 and name o5') (residue 29 and name c5') 2 -70 30 2
assign (residue 29 and name o3') (residue 30 and name p)
       (residue 30 and name o5') (residue 30 and name c5') 2 -70 30 2
assign (residue 30 and name o3') (residue 31 and name p)
       (residue 31 and name o5') (residue 31 and name c5') 2 -70 30 2
assign (residue 31 and name o3') (residue 32 and name p)
       (residue 32 and name o5') (residue 32 and name c5') 2 -70 30 2

{ backbone torsion angle zeta }

assign (residue 1 and name c3') (residue 1 and name o3')
       (residue 2 and name p) (residue 2 and name o5') 2 -70 30 2
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 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 13 and name c3') (residue 13 and name o3')
       (residue 14 and name p) (residue 14 and name o5') 2 -70 30 2
assign (residue 14 and name c3') (residue 14 and name o3')
       (residue 15 and name p) (residue 15 and name o5') 2 -70 30 2
assign (residue 15 and name c3') (residue 15 and name o3')
       (residue 16 and name p) (residue 16 and name o5') 2 -70 30 2

assign (residue 17 and name c3') (residue 17 and name o3')
       (residue 18 and name p) (residue 18 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 28 and name c3') (residue 28 and name o3')
       (residue 29 and name p) (residue 29 and name o5') 2 -70 30 2
assign (residue 29 and name c3') (residue 29 and name o3')
       (residue 30 and name p) (residue 30 and name o5') 2 -70 30 2
assign (residue 30 and name c3') (residue 30 and name o3')
       (residue 31 and name p) (residue 31 and name o5') 2 -70 30 2
assign (residue 31 and name c3') (residue 31 and name o3')
       (residue 32 and name p) (residue 32 and name o5') 2 -70 30 2




end
end


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1   4.073  -4.137 -27.395
    2   2H5*    G   1          2H5*        G   1   5.240  -4.625 -26.149
    3    H4*    G   1           H4*        G   1   6.511  -3.646 -27.911
    4    H3*    G   1           H3*        G   1   6.151  -1.734 -25.558
    5   1H2*    G   1           H2*        G   1   8.171  -2.293 -28.328
    6   2HO*    G   1          2HO*        G   1   7.355  -0.049 -26.789
    7    H1*    G   1           H1*        G   1   6.227  -0.512 -29.263
    8    H8     G   1           H8         G   1   3.154  -0.865 -27.418
    9    H1     G   1           H1         G   1   5.425   5.101 -26.764
   10   1H2     G   1           H21        G   1   7.518   5.202 -27.492
   11   2H2     G   1           H22        G   1   8.413   3.761 -27.925
   12    H5T    G   1           H5T        G   1   3.219  -2.780 -26.055
   13   1H5*    A   2          1H5*        A   2  10.533  -1.497 -26.033
   14   2H5*    A   2          2H5*        A   2  11.155  -2.020 -24.455
   15    H4*    A   2           H4*        A   2  12.129   0.128 -25.051
   16    H3*    A   2           H3*        A   2  10.105   0.208 -22.766
   17   1H2*    A   2           H2*        A   2  12.659   2.279 -24.357
   18   2HO*    A   2          2HO*        A   2  10.403   2.585 -22.629
   19    H1*    A   2           H1*        A   2  10.639   3.101 -25.360
   20    H8     A   2           H8         A   2   7.852   0.597 -24.611
   21   1H6     A   2           H61        A   2   4.212   5.555 -23.840
   22   2H6     A   2           H62        A   2   4.268   3.805 -23.827
   23    H2     A   2           H2         A   2   8.424   6.986 -24.202
   24   1H5*    G   3          1H5*        G   3  13.961   2.989 -21.892
   25   2H5*    G   3          2H5*        G   3  14.191   2.467 -20.210
   26    H4*    G   3           H4*        G   3  14.130   4.955 -20.507
   27    H3*    G   3           H3*        G   3  12.055   3.589 -18.738
   28   1H2*    G   3           H2*        G   3  12.299   7.310 -17.979
   29   2HO*    G   3          2HO*        G   3  10.995   5.697 -18.366
   30    H1*    G   3           H1*        G   3  11.455   6.840 -20.883
   31    H8     G   3           H8         G   3  10.083   3.226 -20.381
   32    H1     G   3           H1         G   3   5.694   7.752 -21.584
   33   1H2     G   3           H21        G   3   6.652   9.758 -21.579
   34   2H2     G   3           H22        G   3   8.389   9.946 -21.497
   35   1H5*    C   4          1H5*        C   4  13.656   6.881 -16.538
   36   2H5*    C   4          2H5*        C   4  14.487   6.310 -15.077
   37    H4*    C   4           H4*        C   4  13.129   8.155 -14.409
   38    H3*    C   4           H3*        C   4  11.887   5.474 -13.645
   39   1H2*    C   4           H2*        C   4  11.239   9.140 -13.002
   40   2HO*    C   4          2HO*        C   4   9.970   6.623 -12.794
   41    H1*    C   4           H1*        C   4   9.915   8.738 -14.653
   42   1H4     C   4           H41        C   4   5.333   4.800 -16.644
   43   2H4     C   4           H42        C   4   6.504   3.633 -17.217
   44    H5     C   4           H5         C   4   8.930   4.011 -17.028
   45    H6     C   4           H6         C   4  10.644   5.468 -16.088
   46   1H5*    C   5          1H5*        C   5  11.206   5.311  -8.729
   47   2H5*    C   5          2H5*        C   5  10.532   4.426 -10.112
   48    H4*    C   5           H4*        C   5   9.311   6.728  -8.571
   49    H3*    C   5           H3*        C   5   8.509   3.833  -9.097
   50   1H2*    C   5           H2*        C   5   5.596   6.630  -8.512
   51   2HO*    C   5          2HO*        C   5   6.207   4.502  -9.224
   52    H1*    C   5           H1*        C   5   6.561   6.875 -10.607
   53   1H4     C   5           H41        C   5   5.117   2.472 -14.973
   54   2H4     C   5           H42        C   5   6.802   2.024 -15.129
   55    H5     C   5           H5         C   5   8.572   3.104 -13.796
   56    H6     C   5           H6         C   5   9.011   4.624 -11.944
   57   1H5*    C   6          1H5*        C   6   9.687   5.356  -5.015
   58   2H5*    C   6          2H5*        C   6  10.370   4.079  -6.044
   59    H4*    C   6           H4*        C   6  11.672   4.247  -4.000
   60    H3*    C   6           H3*        C   6   9.936   1.750  -4.247
   61   1H2*    C   6           H2*        C   6  12.911   1.746  -2.607
   62   2HO*    C   6          2HO*        C   6  10.671   1.049  -2.065
   63    H1*    C   6           H1*        C   6  10.544   3.500  -0.813
   64   1H4     C   6           H41        C   6   5.090   0.539   0.393
   65   2H4     C   6           H42        C   6   4.284   1.438  -0.885
   66    H5     C   6           H5         C   6   5.540   3.014  -2.368
   67    H6     C   6           H6         C   6   7.761   3.866  -2.908
   68   1H5*    U   7          1H5*        U   7  13.662  -0.921  -3.472
   69   2H5*    U   7          2H5*        U   7  13.576  -1.629  -5.097
   70    H4*    U   7           H4*        U   7  13.480  -3.299  -3.214
   71    H3*    U   7           H3*        U   7  11.142  -3.121  -5.181
   72   1H2*    U   7           H2*        U   7  11.420  -6.455  -3.357
   73   2HO*    U   7          2HO*        U   7  10.102  -4.922  -3.971
   74    H1*    U   7           H1*        U   7  10.864  -4.102  -1.411
   75    H3     U   7           H3         U   7   6.271  -3.962  -2.085
   76    H5     U   7           H5         U   7   7.759  -0.110  -2.930
   77    H6     U   7           H6         U   7   9.998  -1.033  -2.874
   78   1H5*    G   8          1H5*        G   8  10.680  -7.270  -7.770
   79   2H5*    G   8          2H5*        G   8   9.540  -5.980  -7.339
   80    H4*    G   8           H4*        G   8   9.799  -8.748  -6.143
   81    H3*    G   8           H3*        G   8   7.567  -7.223  -7.561
   82   1H2*    G   8           H2*        G   8   6.723 -10.409  -6.249
   83   2HO*    G   8          2HO*        G   8   5.961  -8.310  -6.138
   84    H1*    G   8           H1*        G   8   7.398  -8.182  -3.777
   85    H8     G   8           H8         G   8   8.142  -4.875  -5.226
   86    H1     G   8           H1         G   8   2.047  -5.293  -3.292
   87   1H2     G   8           H21        G   8   1.539  -7.403  -2.802
   88   2H2     G   8           H22        G   8   2.628  -8.718  -3.191
   89   1H5*    G   9          1H5*        G   9   5.282 -10.665  -7.686
   90   2H5*    G   9          2H5*        G   9   5.502 -11.177  -9.371
   91    H4*    G   9           H4*        G   9   3.175 -11.133  -9.130
   92    H3*    G   9           H3*        G   9   4.059  -8.447 -10.294
   93   1H2*    G   9           H2*        G   9   0.143  -9.160 -10.362
   94   2HO*    G   9          2HO*        G   9   1.758  -7.742 -10.237
   95    H1*    G   9           H1*        G   9   1.098  -8.849  -7.789
   96    H8     G   9           H8         G   9   4.610  -7.333  -7.783
   97    H1     G   9           H1         G   9  -0.098  -3.117  -6.663
   98   1H2     G   9           H21        G   9  -2.080  -4.109  -6.912
   99   2H2     G   9           H22        G   9  -2.220  -5.718  -7.584
  100   1H5*    G  10          1H5*        G  10   1.465  -9.000 -15.335
  101   2H5*    G  10          2H5*        G  10   2.247  -7.674 -14.452
  102    H4*    G  10           H4*        G  10  -0.645  -8.552 -14.386
  103    H3*    G  10           H3*        G  10   0.797  -5.926 -14.994
  104   1H2*    G  10           H2*        G  10  -2.433  -6.714 -15.084
  105   2HO*    G  10          2HO*        G  10  -1.084  -4.742 -14.064
  106    H1*    G  10           H1*        G  10  -1.500  -6.380 -11.884
  107    H8     G  10           H8         G  10   2.186  -6.331 -12.028
  108    H1     G  10           H1         G  10  -0.178  -0.647 -10.235
  109   1H2     G  10           H21        G  10  -2.379  -0.609 -10.539
  110   2H2     G  10           H22        G  10  -3.209  -1.889 -11.396
  111   1H5*    A  11          1H5*        A  11  -3.136  -5.215 -16.630
  112   2H5*    A  11          2H5*        A  11  -2.915  -4.227 -18.089
  113    H4*    A  11           H4*        A  11  -4.214  -3.151 -16.175
  114    H3*    A  11           H3*        A  11  -1.742  -1.804 -17.373
  115   1H2*    A  11           H2*        A  11  -4.033   0.400 -14.892
  116   2HO*    A  11          2HO*        A  11  -2.073   0.002 -15.825
  117    H1*    A  11           H1*        A  11  -2.851  -1.532 -13.636
  118    H8     A  11           H8         A  11   0.076  -3.202 -15.376
  119   1H6     A  11           H61        A  11   3.706   0.574 -12.070
  120   2H6     A  11           H62        A  11   3.682  -0.743 -13.222
  121    H2     A  11           H2         A  11  -0.505   1.980 -11.618
  122   1H5*    G  12          1H5*        G  12  -5.058   1.760 -17.721
  123   2H5*    G  12          2H5*        G  12  -3.955   2.812 -18.631
  124    H4*    G  12           H4*        G  12  -4.683   3.076 -15.910
  125    H3*    G  12           H3*        G  12  -2.429   4.351 -17.548
  126   1H2*    G  12           H2*        G  12  -2.853   5.310 -13.622
  127   2HO*    G  12          2HO*        G  12  -1.594   5.275 -15.470
  128    H1*    G  12           H1*        G  12  -1.907   2.991 -13.960
  129    H8     G  12           H8         G  12  -0.820   1.454 -17.115
  130    H1     G  12           H1         G  12   3.912   4.891 -14.481
  131   1H2     G  12           H21        G  12   3.127   6.108 -12.798
  132   2H2     G  12           H22        G  12   1.410   6.244 -12.487
  133   1H5*    G  13          1H5*        G  13  -3.536   7.583 -15.357
  134   2H5*    G  13          2H5*        G  13  -4.102   8.893 -16.413
  135    H4*    G  13           H4*        G  13  -2.383   9.778 -14.979
  136    H3*    G  13           H3*        G  13  -1.364   9.296 -17.829
  137   1H2*    G  13           H2*        G  13   0.175  10.938 -14.558
  138   2HO*    G  13          2HO*        G  13   0.731  10.247 -17.099
  139    H1*    G  13           H1*        G  13   0.749   9.061 -14.570
  140    H8     G  13           H8         G  13  -0.363   6.454 -17.055
  141    H1     G  13           H1         G  13   5.963   7.521 -17.168
  142   1H2     G  13           H21        G  13   6.461   9.273 -15.893
  143   2H2     G  13           H22        G  13   5.215  10.303 -15.222
  144   1H5*    C  14          1H5*        C  14  -0.294  13.715 -17.850
  145   2H5*    C  14          2H5*        C  14  -0.896  14.062 -19.483
  146    H4*    C  14           H4*        C  14   1.565  14.461 -19.179
  147    H3*    C  14           H3*        C  14   0.662  12.377 -21.232
  148   1H2*    C  14           H2*        C  14   4.468  13.710 -20.641
  149   2HO*    C  14          2HO*        C  14   2.977  12.048 -21.772
  150    H1*    C  14           H1*        C  14   3.988  12.390 -19.163
  151   1H4     C  14           H41        C  14   4.005   6.116 -20.341
  152   2H4     C  14           H42        C  14   2.306   5.999 -19.934
  153    H5     C  14           H5         C  14   0.895   8.000 -19.609
  154    H6     C  14           H6         C  14   0.918  10.432 -19.406
  155   1H5*    U  15          1H5*        U  15   3.612  15.537 -23.388
  156   2H5*    U  15          2H5*        U  15   2.860  15.490 -24.995
  157    H4*    U  15           H4*        U  15   5.403  14.995 -24.797
  158    H3*    U  15           H3*        U  15   3.493  13.133 -26.315
  159   1H2*    U  15           H2*        U  15   7.263  12.932 -27.269
  160   2HO*    U  15          2HO*        U  15   5.463  11.875 -26.925
  161    H1*    U  15           H1*        U  15   6.733  12.101 -24.438
  162    H3     U  15           H3         U  15   5.659   7.688 -25.047
  163    H5     U  15           H5         U  15   2.049   9.510 -23.859
  164    H6     U  15           H6         U  15   3.156  11.660 -24.061
  165   1H5*    C  16          1H5*        C  16   7.049  13.987 -28.973
  166   2H5*    C  16          2H5*        C  16   6.383  13.831 -30.610
  167    H4*    C  16           H4*        C  16   8.290  12.228 -29.892
  168    H3*    C  16           H3*        C  16   5.678  11.152 -31.060
  169   1H2*    C  16           H2*        C  16   9.206  10.081 -30.210
  170   2HO*    C  16          2HO*        C  16   6.742   9.005 -31.054
  171    H1*    C  16           H1*        C  16   8.032   9.399 -28.579
  172   1H4     C  16           H41        C  16   2.936   5.850 -27.191
  173   2H4     C  16           H42        C  16   1.851   7.202 -27.434
  174    H5     C  16           H5         C  16   2.671   9.446 -28.055
  175    H6     C  16           H6         C  16   4.631  10.716 -28.763
  176    H3T    C  16           H3T        C  16   6.798  11.334 -32.926
  177   1H5*    G  17          1H5*        G  17   0.411  -2.684  21.271
  178   2H5*    G  17          2H5*        G  17  -0.659  -2.936  19.877
  179    H4*    G  17           H4*        G  17  -1.463  -0.990  20.987
  180    H3*    G  17           H3*        G  17   0.191  -0.265  18.521
  181   1H2*    G  17           H2*        G  17  -1.952   1.306  21.137
  182   2HO*    G  17          2HO*        G  17  -0.210   2.064  19.024
  183    H1*    G  17           H1*        G  17   0.209   1.902  21.744
  184    H8     G  17           H8         G  17   2.888  -0.331  20.933
  185    H1     G  17           H1         G  17   4.014   5.376  18.244
  186   1H2     G  17           H21        G  17   2.203   6.647  18.343
  187   2H2     G  17           H22        G  17   0.658   6.000  18.858
  188    H5T    G  17           H5T        G  17   1.997  -2.009  19.961
  189   1H5*    C  18          1H5*        C  18  -2.313   2.318  18.018
  190   2H5*    C  18          2H5*        C  18  -3.435   2.060  16.667
  191    H4*    C  18           H4*        C  18  -2.596   4.233  16.325
  192    H3*    C  18           H3*        C  18  -0.987   2.270  14.617
  193   1H2*    C  18           H2*        C  18  -2.065   5.448  14.427
  194   2HO*    C  18          2HO*        C  18   0.309   4.133  13.848
  195    H1*    C  18           H1*        C  18   0.260   5.608  16.255
  196   1H4     C  18           H41        C  18   6.075   3.071  15.573
  197   2H4     C  18           H42        C  18   5.585   1.681  16.516
  198    H5     C  18           H5         C  18   3.222   1.245  17.074
  199    H6     C  18           H6         C  18   0.968   2.167  17.014
  200   1H5*    U  19          1H5*        U  19  -2.794   5.514  12.615
  201   2H5*    U  19          2H5*        U  19  -3.775   5.227  11.165
  202    H4*    U  19           H4*        U  19  -2.280   7.153  10.859
  203    H3*    U  19           H3*        U  19  -1.679   4.686   9.157
  204   1H2*    U  19           H2*        U  19   0.302   8.245   8.848
  205   2HO*    U  19          2HO*        U  19   0.173   5.870   8.192
  206    H1*    U  19           H1*        U  19   1.012   7.191  10.502
  207    H3     U  19           H3         U  19   4.208   4.199   9.099
  208    H5     U  19           H5         U  19   1.605   1.997  11.568
  209    H6     U  19           H6         U  19   0.099   3.898  11.545
  210   1H5*    G  20          1H5*        G  20  -1.391   8.437   6.591
  211   2H5*    G  20          2H5*        G  20  -2.368   8.001   5.175
  212    H4*    G  20           H4*        G  20  -0.218   8.872   4.446
  213    H3*    G  20           H3*        G  20  -0.546   5.854   4.051
  214   1H2*    G  20           H2*        G  20   2.596   8.154   2.849
  215   2HO*    G  20          2HO*        G  20   1.653   5.836   3.069
  216    H1*    G  20           H1*        G  20   2.824   7.667   4.819
  217    H8     G  20           H8         G  20   0.419   4.884   6.091
  218    H1     G  20           H1         G  20   6.670   3.528   6.406
  219   1H2     G  20           H21        G  20   7.864   5.104   5.421
  220   2H2     G  20           H22        G  20   7.121   6.569   4.807
  221   1H5*    U  21          1H5*        U  21   1.314   8.109   0.339
  222   2H5*    U  21          2H5*        U  21   0.913   6.996  -0.984
  223    H4*    U  21           H4*        U  21   3.406   7.537  -0.547
  224    H3*    U  21           H3*        U  21   2.330   4.694  -0.850
  225   1H2*    U  21           H2*        U  21   6.088   4.872  -1.469
  226   2HO*    U  21          2HO*        U  21   4.533   3.871  -0.451
  227    H1*    U  21           H1*        U  21   5.390   5.917   1.313
  228    H3     U  21           H3         U  21   5.640   2.508   4.287
  229    H5     U  21           H5         U  21   1.648   2.298   2.957
  230    H6     U  21           H6         U  21   2.149   4.103   1.412
  231   1H5*    U  22          1H5*        U  22   3.413   7.191  -5.073
  232   2H5*    U  22          2H5*        U  22   2.051   6.987  -3.952
  233    H4*    U  22           H4*        U  22   1.083   7.780  -5.960
  234    H3*    U  22           H3*        U  22   0.769   4.755  -5.715
  235   1H2*    U  22           H2*        U  22  -1.400   6.321  -8.649
  236   2HO*    U  22          2HO*        U  22  -0.203   4.683  -7.893
  237    H1*    U  22           H1*        U  22   1.226   6.813  -9.051
  238    H3     U  22           H3         U  22   2.094   3.063 -11.525
  239    H5     U  22           H5         U  22   4.722   2.856  -8.235
  240    H6     U  22           H6         U  22   3.520   4.719  -7.250
  241   1H5*    C  23          1H5*        C  23  -2.846   5.433  -6.323
  242   2H5*    C  23          2H5*        C  23  -4.038   5.377  -5.010
  243    H4*    C  23           H4*        C  23  -4.908   3.859  -6.560
  244    H3*    C  23           H3*        C  23  -3.216   2.294  -4.559
  245   1H2*    C  23           H2*        C  23  -5.872   1.744  -6.659
  246   2HO*    C  23          2HO*        C  23  -3.572   0.317  -5.829
  247    H1*    C  23           H1*        C  23  -3.741   1.514  -8.387
  248   1H4     C  23           H41        C  23   1.769  -1.640  -8.170
  249   2H4     C  23           H42        C  23   2.548  -0.300  -7.357
  250    H5     C  23           H5         C  23   1.319   1.746  -6.739
  251    H6     C  23           H6         C  23  -0.866   2.812  -6.685
  252   1H5*    C  24          1H5*        C  24  -5.807   0.514  -0.889
  253   2H5*    C  24          2H5*        C  24  -4.406   1.032  -1.847
  254    H4*    C  24           H4*        C  24  -6.631  -0.453  -3.215
  255    H3*    C  24           H3*        C  24  -4.599  -1.712  -1.321
  256   1H2*    C  24           H2*        C  24  -5.985  -4.247  -3.692
  257   2HO*    C  24          2HO*        C  24  -4.194  -3.435  -2.916
  258    H1*    C  24           H1*        C  24  -4.579  -1.897  -5.266
  259   1H4     C  24           H41        C  24   1.682  -2.987  -4.650
  260   2H4     C  24           H42        C  24   1.866  -1.348  -4.063
  261    H5     C  24           H5         C  24  -0.062   0.148  -3.743
  262    H6     C  24           H6         C  24  -2.474   0.272  -3.700
  263   1H5*    C  25          1H5*        C  25  -5.519  -4.612   1.444
  264   2H5*    C  25          2H5*        C  25  -3.984  -3.740   1.262
  265    H4*    C  25           H4*        C  25  -4.656  -6.601   0.635
  266    H3*    C  25           H3*        C  25  -2.263  -5.151   1.877
  267   1H2*    C  25           H2*        C  25  -3.283  -8.301   0.462
  268   2HO*    C  25          2HO*        C  25  -0.855  -6.930   1.080
  269    H1*    C  25           H1*        C  25  -1.976  -7.195  -1.421
  270   1H4     C  25           H41        C  25   2.942  -3.137  -1.940
  271   2H4     C  25           H42        C  25   1.812  -1.800  -1.960
  272    H5     C  25           H5         C  25  -0.614  -2.130  -1.687
  273    H6     C  25           H6         C  25  -2.344  -3.760  -1.215
  274   1H5*    A  26          1H5*        A  26  -0.426  -6.723   5.835
  275   2H5*    A  26          2H5*        A  26   0.212  -5.241   5.094
  276    H4*    A  26           H4*        A  26   0.652  -8.119   4.302
  277    H3*    A  26           H3*        A  26   2.466  -5.704   4.773
  278   1H2*    A  26           H2*        A  26   2.652  -8.962   3.863
  279   2HO*    A  26          2HO*        A  26   3.998  -6.624   3.155
  280    H1*    A  26           H1*        A  26   2.104  -7.451   1.307
  281    H8     A  26           H8         A  26   0.452  -4.357   1.907
  282   1H6     A  26           H61        A  26   5.200  -1.297  -0.645
  283   2H6     A  26           H62        A  26   3.574  -1.146  -0.016
  284    H2     A  26           H2         A  26   6.581  -5.433   0.333
  285   1H5*    G  27          1H5*        G  27   5.398  -8.697   6.236
  286   2H5*    G  27          2H5*        G  27   6.409  -7.729   7.330
  287    H4*    G  27           H4*        G  27   7.271  -8.420   4.907
  288    H3*    G  27           H3*        G  27   7.680  -5.721   6.284
  289   1H2*    G  27           H2*        G  27   8.939  -7.094   2.737
  290   2HO*    G  27          2HO*        G  27   8.794  -4.959   4.295
  291    H1*    G  27           H1*        G  27   7.202  -6.313   2.443
  292    H8     G  27           H8         G  27   4.620  -4.843   4.548
  293    H1     G  27           H1         G  27   7.611  -0.368   1.166
  294   1H2     G  27           H21        G  27   9.527  -1.071   0.403
  295   2H2     G  27           H22        G  27  10.075  -2.720   0.663
  296   1H5*    A  28          1H5*        A  28  11.131  -6.385   5.047
  297   2H5*    A  28          2H5*        A  28  12.545  -6.307   6.117
  298    H4*    A  28           H4*        A  28  12.915  -4.568   4.588
  299    H3*    A  28           H3*        A  28  11.614  -3.419   7.101
  300   1H2*    A  28           H2*        A  28  12.977  -0.727   4.490
  301   2HO*    A  28          2HO*        A  28  11.571  -1.267   6.040
  302    H1*    A  28           H1*        A  28  10.824  -2.081   3.528
  303    H8     A  28           H8         A  28   9.169  -3.931   6.480
  304   1H6     A  28           H61        A  28   4.605   0.205   5.799
  305   2H6     A  28           H62        A  28   5.169  -1.155   6.745
  306    H2     A  28           H2         A  28   7.947   1.380   3.091
  307   1H5*    C  29          1H5*        C  29  14.834  -0.418   5.347
  308   2H5*    C  29          2H5*        C  29  15.650  -0.044   6.879
  309    H4*    C  29           H4*        C  29  14.947   1.987   5.619
  310    H3*    C  29           H3*        C  29  13.686   1.486   8.359
  311   1H2*    C  29           H2*        C  29  13.216   5.172   6.975
  312   2HO*    C  29          2HO*        C  29  12.426   3.503   8.080
  313    H1*    C  29           H1*        C  29  12.050   3.314   5.287
  314   1H4     C  29           H41        C  29   6.418   1.386   7.548
  315   2H4     C  29           H42        C  29   7.127  -0.020   8.318
  316    H5     C  29           H5         C  29   9.557  -0.472   8.243
  317    H6     C  29           H6         C  29  11.712   0.397   7.540
  318   1H5*    A  30          1H5*        A  30  14.963   5.997   7.857
  319   2H5*    A  30          2H5*        A  30  15.331   6.394   9.548
  320    H4*    A  30           H4*        A  30  13.528   7.802   8.402
  321    H3*    A  30           H3*        A  30  13.025   6.348  11.039
  322   1H2*    A  30           H2*        A  30  11.987   9.169   9.476
  323   2HO*    A  30          2HO*        A  30  10.776   7.167  11.016
  324    H1*    A  30           H1*        A  30  10.390   7.130   8.222
  325    H8     A  30           H8         A  30  11.789   4.114  10.258
  326   1H6     A  30           H61        A  30   5.935   2.044  10.078
  327   2H6     A  30           H62        A  30   7.588   1.621  10.482
  328    H2     A  30           H2         A  30   6.057   6.018   8.072
  329   1H5*    G  31          1H5*        G  31  11.468  10.865  10.879
  330   2H5*    G  31          2H5*        G  31  11.703  11.343  12.572
  331    H4*    G  31           H4*        G  31   9.371  11.702  11.540
  332    H3*    G  31           H3*        G  31   9.804  10.236  14.187
  333   1H2*    G  31           H2*        G  31   7.449  12.116  12.594
  334   2HO*    G  31          2HO*        G  31   7.428   9.904  14.322
  335    H1*    G  31           H1*        G  31   6.962   9.422  11.620
  336    H8     G  31           H8         G  31  10.067   7.778  13.211
  337    H1     G  31           H1         G  31   4.711   4.254  13.415
  338   1H2     G  31           H21        G  31   2.964   5.496  12.833
  339   2H2     G  31           H22        G  31   3.160   7.101  12.164
  340   1H5*    C  32          1H5*        C  32   6.731  13.511  14.955
  341   2H5*    C  32          2H5*        C  32   7.204  14.200  16.521
  342    H4*    C  32           H4*        C  32   4.794  13.430  16.342
  343    H3*    C  32           H3*        C  32   6.607  12.161  18.450
  344   1H2*    C  32           H2*        C  32   3.429  13.178  18.658
  345   2HO*    C  32          2HO*        C  32   4.667  11.015  19.257
  346    H1*    C  32           H1*        C  32   3.620  10.474  16.711
  347   1H4     C  32           H41        C  32   6.535   5.130  18.566
  348   2H4     C  32           H42        C  32   8.096   5.753  18.069
  349    H5     C  32           H5         C  32   8.355   8.008  17.091
  350    H6     C  32           H6         C  32   7.210  10.107  16.617
  351    H3T    C  32           H3T        C  32   5.033  13.604  19.666
   
  No H/Q in entry =         351