*HEADER    RNA                                     11-JUL-00   1F9L              
*TITLE     SOLUTION STRUCTURE OF A 22-NUCLEOTIDE HAIRPIN SIMILAR TO              
*TITLE    2 THE P5ABC REGION OF A GROUP I RIBOZYME WITH COBALT(III)              
*TITLE    3 HEXAMMINE COMPLEXED TO THE GAAA TETRALOOP                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-                                                        
*COMPND   3 R(*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*AP*AP*AP*GP*AP*UP*GP*GP*CP          
*COMPND   4 *GP*CP*CP*)-3';                                                      
*COMPND   5 CHAIN: A;                                                            
*COMPND   6 FRAGMENT: P5ABC DOMAIN;                                              
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE RNA WAS ENZYMATICALLY SYNTHESIZED FROM            
*SOURCE   4 A SYNTHETIC RNA TEMPLATE USING T7 RNA POLYMERASE                     
*KEYWDS    GA MISMATCHES, GAAA TETRALOOP, METAL-ION BINDING,                     
*KEYWDS   2 COBALT(III)HEXAMMINE, HAIRPIN, P5ABC, GROUP I INTRON                 
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    S.RUEDISSER, I.TINOCO JR.                                             
*REVDAT   1   26-JUL-00 1F9L    0                                                


 {DISTANCE CONSTRAINTS FOR ga6}

{Last modified Jun 7 1999}

 {base pair constraints}

 {base pairing between 1 and 22 GC pair}
assign (residue 22 and name h41)(residue 1 and name o6) 1.7 .1 .1
assign (residue 22 and name n3)(residue 1 and name h21) 3.0 .1 .1
assign (residue 22 and name o2)(residue 1 and name h21) 2.0 .1 .1
assign (residue 22 and name n3)(residue 1 and name h1) 1.9 .1 .1

 {base pairing between 2 and 21 GC pair}
assign (residue 21 and name h41)(residue 2 and name o6) 1.7 .1 .1
assign (residue 21 and name n3)(residue 2 and name h21) 3.0 .1 .1
assign (residue 21 and name o2)(residue 2 and name h21) 2.0 .1 .1
assign (residue 21 and name n3)(residue 2 and name h1) 1.9 .1 .1

 {base pairing between 3 and 20 CG pair}
assign (residue 3 and name h41)(residue 20 and name o6) 1.7 0.1 0.1
assign (residue 3 and name n3)(residue 20 and name h21) 3.0 0.1 0.1
assign (residue 3 and name o2)(residue 20 and name h21) 2.0 0.1 0.1
assign (residue 3 and name n3)(residue 20 and name h1) 1.9 0.1 0.1

 {base pairing between 4 and 19 GC pair}
assign (residue 19 and name h41)(residue 4 and name o6) 1.8 0.1 0.1
assign (residue 19 and name n3)(residue 4 and name h21) 3.1 0.1 0.1
assign (residue 19 and name o2)(residue 4 and name h21) 2.1 0.1 0.1
assign (residue 19 and name n3)(residue 4 and name h1) 2.0 0.1 0.1

 {tentative hydrogen bonding btw A6 and G17}
assign (residue 6 and name n1)(residue 17 and name h1) 1.75 0.1 0.1
assign (residue 6 and name n1)(residue 17 and name n1) 2.75 0.1 0.1
assign (residue 6 and name h61)(residue 17 and name o6) 1.59 0.1 0.1
assign (residue 6 and name n6)(residue 17 and name o6) 2.59 0.1 0.1

 {base pairing between 7 and 16 GU pair, use regular GU bp constr. from Saenger}
assign (residue 7 and name h1)(residue 16 and name o2) 1.9 0.2 0.2
assign (residue 7 and name o6)(residue 16 and name h3) 2.0 0.2 0.2
assign (residue 7 and name h1)(residue 16 and name h3) 2.7 0.2 0.2
assign (residue 7 and name o6)(residue 16 and name o2) 3.8 0.2 0.2
assign (residue 7 and name n1)(residue 16 and name n3) 3.8 0.2 0.2

 {base pairing between 8 and 15 UA pair}
assign (residue 15 and name h2)(residue 8 and name o2) 3.2 .1 .1
assign (residue 15 and name n1)(residue 8 and name h3) 1.9 .1 .1
assign (residue 15 and name h61)(residue 8 and name o4) 1.8 .1 .1
assign (residue 15 and name h2)(residue 8 and name h3) 2.9 .1 .1

 {base pairing between 9 and 14 CG pair}
assign (residue 9 and name h41)(residue 14 and name o6) 1.7 .1 .1
assign (residue 9 and name n3)(residue 14 and name h21) 3.0 .1 .1
assign (residue 9 and name o2)(residue 14 and name h21) 2.0 .1 .1
assign (residue 9 and name n3)(residue 14 and name h1) 1.9 .1 .1

        {base 11 and 12, AA in the tetraloop}

 {imino to imino constraints from water noesy expt}
assign (residue 2 and name h1)(residue 20 and name h1) 1.8 1.8 3.2
assign (residue 7 and name h1)(residue 8 and name h3) 1.8 1.8 3.2
assign (residue 16 and name h3)(residue 8 and name h3) 1.8 1.8 3.2
assign (residue 8 and name h3)(residue 14 and name h1) 1.8 1.8 3.2
assign (residue 10 and name h1)(residue 14 and name h1) 1.8 1.8 3.2
assign (residue 7 and name h1)(residue 16 and name h3) 1.8 1.8 3.2


 {experimental constraints from the 150 and 200 ms D2O NOESY}

 {constraints for residue 1 from expt}
assign (residue 1 and name h8)(residue 1 and name h1') 2.0 0.0 2.0
assign (residue 1 and name h8)(residue 1 and name h2'') 2.0 0.0 2.0
assign (residue 1 and name h1')(residue 1 and name h3') 2.0 0.0 2.0
assign (residue 1 and name h1')(residue 1 and name h4') 2.0 0.0 2.0
assign (residue 1 and name h8)(residue 1 and name h3') 2.0 0.0 2.0
assign (residue 1 and name h8)(residue 1 and name h4') 3.0 0.0 4.0
assign (residue 1 and name h4')(residue 1 and name h2'') 2.0 0.0 2.0
assign (residue 1 and name h3')(residue 1 and name h2'') 2.0 0.0 2.0

 {constraints for residue 1 to 2 from expt}
assign (residue 1 and name h1')(residue 2 and name h8) 2.0 0.0 2.0
assign (residue 1 and name h2'')(residue 2 and name h8) 1.8 0.0 1.2
assign (residue 1 and name h2'')(residue 2 and name h1') 2.5 0.0 2.5
assign (residue 1 and name h8)(residue 2 and name h8) 2.5 0.0 2.5
assign (residue 1 and name h3')(residue 2 and name h8) 2.0 0.0 2.0
assign (residue 1 and name h4')(residue 2 and name h8) 2.5 0.0 2.5

 {constraints for residue 1 to 2 from 400 ms D2O NOESY}
assign (residue 1 and name h1')(residue 2 and name h1') 3.0 0.0 5.0

 {constraints for residue 2 from expt}
assign (residue 2 and name h1')(residue 2 and name h8) 2.0 0.0 2.5
assign (residue 2 and name h1')(residue 2 and name h2'') 2.0 0.0 2.0
assign (residue 2 and name h1')(residue 2 and name h4') 3.0 0.0 4.0
assign (residue 2 and name h1')(residue 2 and name h3') 2.0 0.0 2.0

 {constraints for residue 2, 3, 20 and 21 from water noesy expt}
assign (residue 2 and name h1)(residue 21 and name h41) 1.8 0.0 3.2
assign (residue 2 and name h1)(residue 3 and name h5) 1.8 0.0 3.2
assign (residue 2 and name h1)(residue 3 and name h1') 1.8 0.0 3.2
assign (residue 3 and name h41)(residue 20 and name h1) 1.8 0.0 3.2

 {constraints for residue 2 to 3 from expt}
assign (residue 2 and name h1')(residue 3 and name h6) 2.5 0.0 2.5
assign (residue 2 and name h2'')(residue 3 and name h6) 2.0 0.0 2.5
assign (residue 2 and name h2'')(residue 3 and name h1') 2.5 0.0 2.5

 {constraints for residue 2 to 3 from 400 ms D2O NOESY}
assign (residue 2 and name h1')(residue 3 and name h1') 3.0 0.0 5.0
assign (residue 2 and name h1')(residue 3 and name h5) 3.0 0.0 5.0

 {constraints for residue 3 from expt}
assign (residue 3 and name h1')(residue 3 and name h3') 2.0 0.0 2.0
assign (residue 3 and name h1')(residue 3 and name h4') 2.0 0.0 2.0
assign (residue 3 and name h1')(residue 3 and name h6) 2.5 0.0 2.5
assign (residue 3 and name h2'')(residue 3 and name h6) 2.0 0.0 2.5

 {constraints for residue 3 from 400 ms D2O NOESY}
assign (residue 3 and name h1')(residue 3 and name h5) 3.0 0.0 5.0 

 {constraints for residue 3 to 4 from expt}
assign (residue 3 and name h1')(residue 4 and name h8) 2.5 0.0 2.5
assign (residue 3 and name h2'')(residue 4 and name h8) 2.0 0.0 2.0
assign (residue 3 and name h2'')(residue 4 and name h1') 2.5 0.0 2.5

 {constraints for residue 4 from expt}
assign (residue 4 and name h8)(residue 4 and name h1') 2.5 0.0 2.5
assign (residue 4 and name h8)(residue 4 and name h2'') 2.0 0.0 2.0
assign (residue 4 and name h8)(residue 4 and name h3') 2.0 0.0 2.0

 {constraints for residue 4, 5, 19, 20 from water noesy expt}
assign (residue 4 and name h1)(residue 19 and name h41) 1.8 0.0 3.2
assign (residue 4 and name h1)(residue 20 and name h1') 1.8 0.0 3.2
assign (residue 20 and name h1)(residue 19 and name h41) 1.8 0.0 3.2
assign (residue 19 and name h41)(residue 20 and name h2'') 1.8 0.0 3.2
assign (residue 4 and name h1)(residue 20 and name h1') 1.8 0.0 3.2
assign (residue 4 and name h1)(residue 5 and name h1') 1.8 0.0 3.2
assign (residue 19 and name h41)(residue 5 and name h2) 1.8 0.0 3.2

 {constraints for residue 4 to 5 from expt}
assign (residue 4 and name h1')(residue 5 and name h8) 2.5 0.0 2.5
assign (residue 4 and name h2'')(residue 5 and name h8) 1.8 0.0 3.2
assign (residue 4 and name h3')(residue 5 and name h8) 2.0 0.0 2.0
assign (residue 4 and name h2'')(residue 5 and name h1') 2.5 0.0 2.5
assign (residue 4 and name h8)(residue 5 and name h8) 2.5 0.0 2.5

 {constraints for residue 4 to 5 from 400 ms D2O NOESY}
assign (residue 4 and name h1')(residue 5 and name h1') 3.0 0.0 4.0

 {constraints for residue 5 from expt}
assign (residue 5 and name h8)(residue 5 and name h1') 2.5 0.0 2.5
assign (residue 5 and name h8)(residue 5 and name h2'') 2.0 0.0 2.0
assign (residue 5 and name h3')(residue 5 and name h1') 2.0 0.0 2.0
assign (residue 5 and name h4')(residue 5 and name h1') 2.0 0.0 2.0
assign (residue 5 and name h2)(residue 5 and name h1') 2.5 0.0 2.5
assign (residue 5 and name h3')(residue 5 and name h8) 2.0 0.0 2.0
assign (residue 5 and name h4')(residue 5 and name h8) 2.5 0.0 2.5
assign (residue 5 and name h3')(residue 5 and name h4') 2.0 0.0 2.0

 {constraints for residue 5 from 400 ms D2O NOESY}
assign (residue 5 and name h3')(residue 5 and name h5') 3.0 0.0 4.0
assign (residue 5 and name h3')(residue 5 and name h5'') 3.0 0.0 4.0

 {constraints for residue 5 to 6 from expt}
assign (residue 5 and name h2'')(residue 6 and name h8) 2.0 0.0 2.0
assign (residue 5 and name h2'')(residue 6 and name h1') 2.0 0.0 2.0
assign (residue 5 and name h2)(residue 6 and name h1') 2.0 0.0 2.5
assign (residue 5 and name h3')(residue 6 and name h8) 2.0 0.0 2.0
assign (residue 5 and name h8)(residue 6 and name h8) 2.5 0.0 2.5

 {constraints for residue 5 to 6 from 400 ms D2O NOESY}
assign (residue 5 and name h1')(residue 6 and name h1') 3.0 0.0 4.0
assign (residue 5 and name h2)(residue 6 and name h2) 3.0 0.0 4.0

 {constraints for residue 18, 17, 6, 7 and 5 from water noesy expt}
assign (residue 17 and name n2)(residue 6 and name h2) 1.8 0.0 4.2
assign (residue 17 and name h1)(residue 6 and name h61) 1.8 0.0 3.2
assign (residue 17 and name h1)(residue 6 and name h62) 1.8 0.0 3.2
assign (residue 7 and name h1)(residue 16 and name h1') 1.8 0.0 3.2
assign (residue 18 and name n2)(residue 5 and name h2) 1.8 0.0 4.2

 {constraints for residue 5, 6, 18 amd 19 from 400 ms D2O NOESY}
assign (residue 6 and name h2)(residue 18 and name h1') 3.0 0.0 4.0
assign (residue 5 and name h2)(residue 19 and name h1') 3.0 0.0 4.0

 {constraints for residue 6 from expt}
assign (residue 6 and name h8)(residue 6 and name h1') 2.5 0.0 2.5
assign (residue 6 and name h1')(residue 6 and name h3') 2.0 0.0 2.0
assign (residue 6 and name h1')(residue 6 and name h4') 2.0 0.0 2.0
assign (residue 6 and name h3')(residue 6 and name h8) 2.0 0.0 2.0
assign (residue 6 and name h2'')(residue 6 and name h2) 2.5 0.0 2.5
assign (residue 6 and name h2'')(residue 6 and name h8) 2.5 0.0 2.5
assign (residue 6 and name h5'')(residue 6 and name h8) 2.5 0.0 2.5

 {constraints for residue 6 from 400 ms D2O NOESY}
assign (residue 6 and name h1')(residue 6 and name h2) 3.0 0.0 4.0

 {constraints for residue 6 to 7 from expt}
assign (residue 6 and name h1')(residue 7 and name h8) 2.5 0.0 2.5
assign (residue 6 and name h2'')(residue 7 and name h8) 2.0 0.0 2.0
assign (residue 6 and name h2)(residue 7 and name h1') 2.5 0.0 2.5
assign (residue 6 and name h3')(residue 7 and name h8) 2.0 0.0 2.0
assign (residue 6 and name h4')(residue 7 and name h8) 3.0 0.0 4.0
assign (residue 6 and name h5')(residue 7 and name h8) 2.5 0.0 2.5
assign (residue 6 and name h5'')(residue 7 and name h8) 2.5 0.0 2.5
assign (residue 6 and name h8)(residue 7 and name h8) 2.5 0.0 2.5

 {constraints for residue 6 to 7 from 400 ms D2O NOESY}
assign (residue 6 and name h2)(residue 7 and name h8) 3.0 0.0 4.0

 {constraints for residue 7 from expt}
assign (residue 7 and name h8)(residue 7 and name h1') 3.0 0.0 4.0
assign (residue 7 and name h8)(residue 7 and name h2'') 2.0 0.0 2.0
assign (residue 7 and name h3')(residue 7 and name h1') 3.0 0.0 4.0
assign (residue 7 and name h8)(residue 7 and name h3') 2.0 0.0 2.0
assign (residue 7 and name h8)(residue 7 and name h4') 2.5 0.0 2.5
assign (residue 7 and name h2'')(residue 7 and name h8) 3.0 0.0 4.0

 {constraints for residue 7, 8, 16, 15 from water noesy expt}
assign (residue 16 and name h3)(residue 15 and name h2) 1.8 0.0 3.7
assign (residue 16 and name h3)(residue 7 and name h21) 1.8 0.0 3.2
assign (residue 8 and name h1')(residue 7 and name h22) 1.8 0.0 3.2
assign (residue 7 and name h1)(residue 8 and name h1') 1.8 0.0 3.7

 {constraints for residue 7 to 8 from expt}
assign (residue 7 and name h1')(residue 8 and name h6) 3.0 0.0 4.0
assign (residue 7 and name h2'')(residue 8 and name h6) 2.0 0.0 3.0
assign (residue 7 and name h8)(residue 8 and name h6) 3.0 0.0 4.0
assign (residue 7 and name h8)(residue 8 and name h5) 2.5 0.0 2.5
assign (residue 7 and name h3')(residue 8 and name h5) 2.0 0.0 2.0

 {constraints for residue 8 from expt}
assign (residue 8 and name h6)(residue 8 and name h1') 2.0 0.0 2.5
assign (residue 8 and name h6)(residue 8 and name h2'') 2.0 0.0 2.5
assign (residue 8 and name h3')(residue 8 and name h1') 2.0 0.0 2.0
assign (residue 8 and name h3')(residue 8 and name h6) 2.0 0.0 2.0

 {constraints for residue 8 from 400 ms D2O NOESY}
assign (residue 8 and name h1')(residue 8 and name h5) 3.0 0.0 5.0

 {constraints for residue 8 to 15 from expt}
assign (residue 8 and name h1')(residue 15 and name h2) 2.5 0.0 4.0

 {constraints for residue 8 to 9 from expt}
assign (residue 8 and name h1')(residue 9 and name h6) 2.0 0.0 2.5
assign (residue 8 and name h2'')(residue 9 and name h1') 2.5 0.0 2.5
assign (residue 8 and name h2'')(residue 9 and name h6) 2.0 0.0 2.0
assign (residue 8 and name h5)(residue 9 and name h5) 3.0 0.0 4.0

 {constraints for residue 9 from expt}
assign (residue 9 and name h6)(residue 9 and name h1') 2.0 0.0 2.5
assign (residue 9 and name h6)(residue 9 and name h2'') 2.0 0.0 4.0
assign (residue 9 and name h1')(residue 9 and name h3') 2.0 0.0 4.0

 {constraints for residue 9 to 15 from expt}
assign (residue 9 and name h1')(residue 15 and name h2) 2.0 0.0 2.0

 {constraints for residue 9 to 10 from expt}
assign (residue 9 and name h1')(residue 10 and name h8) 3.0 0.0 4.0
assign (residue 9 and name h2'')(residue 10 and name h8) 2.0 0.0 2.0
assign (residue 9 and name h6)(residue 10 and name h8) 3.0 0.0 4.0
assign (residue 9 and name h5)(residue 10 and name h8) 3.0 0.0 4.0
assign (residue 9 and name h4')(residue 10 and name h8) 3.0 0.0 4.0

 {constraints for residue 9, 10, 13, 14 from water noesy expt}
assign (residue 14 and name h1)(residue 9 and name h41) 1.8 0.0 3.2
assign (residue 14 and name h1)(residue 15 and name h2) 1.8 0.0 3.2
assign (residue 9 and name h41)(residue 10 and name h1) 1.8 0.0 3.2
assign (residue 13 and name h8)(residue 10 and name h22) 1.8 0.0 3.2
assign (residue 13 and name h3')(residue 10 and name h1) 1.8 0.0 3.2

 {constraints for residue 10 from expt}
assign (residue 10 and name h8)(residue 10 and name h1') 2.5 0.0 2.5
assign (residue 10 and name h8)(residue 10 and name h2'') 2.0 0.0 2.0
assign (residue 10 and name h8)(residue 10 and name h3') 2.0 0.0 2.0
assign (residue 10 and name h1')(residue 10 and name h3') 2.0 0.0 2.0

 {constraints for residue 10 to 11 from expt}
assign (residue 10 and name h1')(residue 11 and name h8) 3.0 0.0 4.0
assign (residue 10 and name h2'')(residue 11 and name h8) 2.5 0.0 2.5
assign (residue 10 and name h3')(residue 11 and name h8) 3.0 0.0 4.0

 {constraints for residue 10 to 11 from 400 ms D2O NOESY}
assign (residue 10 and name h8)(residue 11 and name h8) 3.0 0.0 4.0

 {constraints for residue 10 to 12 from expt}
assign (residue 10 and name h1')(residue 12 and name h8) 3.0 0.0 4.0

 {constraints for residue 11 from expt}
assign (residue 11 and name h1')(residue 11 and name h8) 2.0 0.0 2.0
assign (residue 11 and name h1')(residue 11 and name h3') 2.5 0.0 2.5
assign (residue 11 and name h1')(residue 11 and name h4') 2.0 0.0 2.0
assign (residue 11 and name h3')(residue 11 and name h8) 2.0 0.0 2.0
assign (residue 11 and name h4')(residue 11 and name h8) 3.0 0.0 4.0
assign (residue 11 and name h1')(residue 11 and name h2) 3.0 0.0 4.0
assign (residue 11 and name h5'')(residue 11 and name h8) 2.0 0.0 2.0
assign (residue 11 and name h2'')(residue 11 and name h8) 2.0 0.0 2.0

 {constraints for residue 11 to 12 from expt}
assign (residue 11 and name h1')(residue 12 and name h8) 2.5 0.0 2.5
assign (residue 11 and name h8)(residue 12 and name h8) 3.0 0.0 4.0
assign (residue 11 and name h2'')(residue 12 and name h8) 2.0 0.0 2.0
assign (residue 11 and name h2'')(residue 12 and name h1') 3.0 0.0 4.0
assign (residue 11 and name h2)(residue 12 and name h1') 2.0 0.0 2.0
assign (residue 11 and name h3')(residue 12 and name h8) 2.0 0.0 5.0
assign (residue 11 and name h4')(residue 12 and name h8) 2.0 0.0 5.0
assign (residue 11 and name h5'')(residue 12 and name h8) 3.0 0.0 4.0
{assign (residue 11 and name h4')(residue 12 and name h5') 2.0 0.0 2.0}

 {constraints for residue 11 to 12 from 400ms D2O NOESY}
assign (residue 11 and name h2'')(residue 12 and name h5') 3.0 0.0 4.0
assign (residue 11 and name h2'')(residue 12 and name h5'') 3.0 0.0 4.0

 {constraints for residue 12 from expt}
assign (residue 12 and name h1')(residue 12 and name h3') 2.0 0.0 2.0
assign (residue 12 and name h1')(residue 12 and name h4') 2.0 0.0 2.0
assign (residue 12 and name h1')(residue 12 and name h8) 2.0 0.0 2.0
assign (residue 12 and name h2'')(residue 12 and name h8) 2.0 0.0 5.0
assign (residue 12 and name h2)(residue 12 and name h1') 3.0 0.0 4.0
assign (residue 12 and name h3')(residue 12 and name h8) 2.0 0.0 2.0
assign (residue 12 and name h4')(residue 12 and name h8) 3.0 0.0 4.0
assign (residue 12 and name h2)(residue 12 and name h2'') 3.0 0.0 4.0
assign (residue 12 and name h5'')(residue 12 and name h8) 3.0 0.0 4.0
assign (residue 12 and name h5'')(residue 12 and name h4') 2.0 0.0 2.0

 {constraints for residue 12 from 400ms D2O NOESY}
assign (residue 12 and name h5'')(residue 12 and name h2'') 2.5 0.0 2.5
assign (residue 12 and name h5'')(residue 12 and name h3') 2.5 0.0 2.5

 {constraints for residue 12 to 13 from expt}
assign (residue 12 and name h1')(residue 13 and name h8) 2.5 0.0 2.5
assign (residue 12 and name h2'')(residue 13 and name h1') 2.0 0.0 2.0
assign (residue 12 and name h8)(residue 13 and name h8) 3.0 0.0 4.0
assign (residue 12 and name h2'')(residue 13 and name h8) 2.0 0.0 2.0
assign (residue 12 and name h3')(residue 13 and name h8) 2.0 0.0 2.0
assign (residue 12 and name h4')(residue 13 and name h8) 3.0 0.0 4.0
assign (residue 13 and name h1')(residue 12 and name h2) 2.0 0.0 2.0
assign (residue 12 and name h5'')(residue 13 and name h8) 3.0 0.0 4.0
assign (residue 12 and name h2'')(residue 13 and name h2) 3.0 0.0 4.0
assign (residue 12 and name h4')(residue 13 and name h1') 3.0 0.0 4.0
assign (residue 12 and name h3')(residue 13 and name h1') 3.0 0.0 4.0
assign (residue 12 and name h2)(residue 13 and name h1') 2.0 0.0 2.0

 {constraints for residue 12 to 13 from 400 ms D2O NOESY}
assign (residue 13 and name h2)(residue 13 and name h8) 3.0 0.0 5.0
assign (residue 13 and name h2)(residue 12 and name h2) 3.0 0.0 5.0

 {constraints for residue 12 to 14 from expt}
assign (residue 13 and name h2)(residue 14 and name h1') 3.0 0.0 5.0

 {constraints for residue 13 from expt}
assign (residue 13 and name h1')(residue 13 and name h8) 2.0 0.0 2.0
assign (residue 13 and name h1')(residue 13 and name h3') 3.0 0.0 4.0
assign (residue 13 and name h1')(residue 13 and name h4') 2.0 0.0 2.0
assign (residue 13 and name h2'')(residue 13 and name h8) 2.0 0.0 2.0
assign (residue 13 and name h3')(residue 13 and name h8) 2.0 0.0 2.0
assign (residue 13 and name h1')(residue 13 and name h2) 3.0 0.0 4.0
assign (residue 13 and name h4')(residue 13 and name h8) 3.0 0.0 4.0
assign (residue 13 and name h3')(residue 13 and name h2'') 2.0 0.0 2.0
assign (residue 13 and name h3')(residue 13 and name h4') 2.5 0.0 2.5

assign (residue 13 and name h5')(residue 13 and name h3') 2.0 0.0 2.0
assign (residue 13 and name h5'')(residue 13 and name h3') 2.0 0.0 2.0

 {constraints for residue 13 to 14 from expt}
assign (residue 13 and name h1')(residue 14 and name h8) 3.0 0.0 4.0
assign (residue 13 and name h1')(residue 14 and name h1') 3.0 0.0 4.0
assign (residue 13 and name h2'')(residue 14 and name h1') 2.5 0.0 2.5
assign (residue 13 and name h2'')(residue 14 and name h8) 3.0 0.0 4.0
assign (residue 13 and name h8)(residue 14 and name h1') 3.0 0.0 4.0
assign (residue 13 and name h8)(residue 14 and name h8) 3.0 0.0 4.0
assign (residue 13 and name h3')(residue 14 and name h8) 2.0 0.0 2.0
assign (residue 13 and name h3')(residue 14 and name h1') 3.0 0.0 4.0
assign (residue 13 and name h4')(residue 14 and name h8) 3.0 0.0 4.0

 {constraints for residue 13 to 14 from 400 ms D2O NOESY}
assign (residue 13 and name h3')(residue 14 and name h1') 3.0 0.0 4.0

 {constraints for residue 14 from expt}
assign (residue 14 and name h1')(residue 14 and name h3') 2.5 0.0 2.5
assign (residue 14 and name h1')(residue 14 and name h4') 2.0 0.0 2.5
assign (residue 14 and name h1')(residue 14 and name h8) 2.0 0.0 2.0
assign (residue 14 and name h2'')(residue 14 and name h8) 2.5 0.0 2.5

 {constraints for residue 14 to 15 from expt}
assign (residue 14 and name h1')(residue 15 and name h8) 2.5 0.0 2.5
assign (residue 14 and name h2'')(residue 15 and name h8) 2.0 0.0 2.0

 {constraints for residue 15 from expt}
assign (residue 15 and name h1')(residue 15 and name h8) 2.0 0.0 2.0
assign (residue 15 and name h1')(residue 15 and name h2) 2.5 0.0 2.5
assign (residue 15 and name h1')(residue 15 and name h3') 2.0 0.0 2.0
assign (residue 15 and name h2'')(residue 15 and name h8) 2.0 0.0 2.5
assign (residue 15 and name h4')(residue 15 and name h8) 2.5 0.0 2.5
assign (residue 15 and name h3')(residue 15 and name h8) 2.0 0.0 2.0

 {constraints for residue 15 to 16 from expt}
assign (residue 15 and name h1')(residue 16 and name h6) 3.0 0.0 4.0
assign (residue 15 and name h2'')(residue 16 and name h6) 2.5 0.0 2.5
assign (residue 15 and name h3')(residue 16 and name h6) 2.0 0.0 2.0
assign (residue 15 and name h8)(residue 16 and name h5) 2.0 0.0 2.0
assign (residue 15 and name h2)(residue 16 and name h1') 1.8 0.0 1.2

 {constraints for residue 15 to 16 from 400 ms D2O NOESY}
assign (residue 15 and name h1')(residue 16 and name h5) 3.0 0.0 5.0
assign (residue 15 and name h8)(residue 16 and name h6) 3.0 0.0 5.0
assign (residue 15 and name h2)(residue 16 and name h6) 3.0 0.0 5.0

 {constraints for residue 16 from expt}
assign (residue 16 and name h1')(residue 16 and name h3') 2.0 0.0 2.0
assign (residue 16 and name h1')(residue 16 and name h4') 2.0 0.0 2.0
assign (residue 16 and name h2'')(residue 16 and name h6) 2.0 0.0 2.0
assign (residue 16 and name h3')(residue 16 and name h6) 2.0 0.0 2.0
assign (residue 16 and name h4')(residue 16 and name h6) 2.5 0.0 2.5
assign (residue 16 and name h5')(residue 16 and name h6) 2.5 0.0 2.5
assign (residue 16 and name h5'')(residue 16 and name h6) 2.5 0.0 2.5

 {constraints for residue 16 to 17 from expt}
assign (residue 16 and name h1')(residue 17 and name h8) 3.0 0.0 4.0
assign (residue 16 and name h2'')(residue 17 and name h8) 2.0 0.0 2.0
assign (residue 16 and name h3')(residue 17 and name h8) 2.0 0.0 2.0

 {constraints for residue 16 to 17 from 400 ms D2O NOESY}
assign (residue 16 and name h6)(residue 17 and name h8) 3.0 0.0 3.0
assign (residue 16 and name h2'')(residue 17 and name h2'') 3.0 0.0 4.0
assign (residue 16 and name h1')(residue 17 and name h1') 3.0 0.0 4.0

 {constraints for residue 17 from expt}
assign (residue 17 and name h1')(residue 17 and name h3') 2.5 0.0 2.5
assign (residue 17 and name h1')(residue 17 and name h8) 2.5 0.0 2.5
assign (residue 17 and name h2'')(residue 17 and name h8) 2.0 0.0 2.0
assign (residue 17 and name h4')(residue 17 and name h8) 2.5 0.0 2.5
assign (residue 17 and name h3')(residue 17 and name h8) 2.5 0.0 2.5
assign (residue 17 and name h1')(residue 17 and name h4') 3.0 0.0 4.0
assign (residue 17 and name h2'')(residue 17 and name h4') 2.0 0.0 2.0
assign (residue 17 and name h2'')(residue 17 and name h3') 2.0 0.0 2.0

 {constraints for residue 17 to 18 from expt}
assign (residue 17 and name h1')(residue 18 and name h8) 2.5 0.0 2.5
assign (residue 17 and name h2'')(residue 18 and name h8) 2.5 0.0 2.5
assign (residue 17 and name h3')(residue 18 and name h8) 3.0 0.0 4.0
assign (residue 17 and name h8)(residue 18 and name h8) 3.0 0.0 3.0

 {constraints for residue 17 to 18 from 400 ms D2O NOESY}
assign (residue 17 and name h1')(residue 18 and name h1') 3.0 0.0 4.0

 {constraints for residue 18 from expt}
assign (residue 18 and name h1')(residue 18 and name h8) 3.0 0.0 4.0
assign (residue 18 and name h1')(residue 18 and name h3') 2.5 0.0 2.5
assign (residue 18 and name h1')(residue 18 and name h4') 2.5 0.0 2.5
assign (residue 18 and name h2'')(residue 18 and name h8) 2.5 0.0 2.5
assign (residue 18 and name h3')(residue 18 and name h8) 2.0 0.0 2.0
assign (residue 18 and name h4')(residue 18 and name h8) 2.5 0.0 2.5

 {constraints for residue 18 to 19 from expt}
assign (residue 18 and name h1')(residue 19 and name h6) 3.0 0.0 4.0
assign (residue 18 and name h1')(residue 19 and name h5) 3.0 0.0 4.0
assign (residue 18 and name h8)(residue 19 and name h6) 3.0 0.0 3.0

 {constraints for residue 18 to 19 from 400 ms D2O NOESY}
assign (residue 18 and name h8)(residue 19 and name h5) 3.0 0.0 4.0

 {constraints for residue 19 from expt}
assign (residue 19 and name h1')(residue 19 and name h6) 3.0 0.0 4.0
assign (residue 19 and name h2'')(residue 19 and name h6) 2.0 0.0 2.5

 {constraints for residue 19 to 20 from expt}
assign (residue 19 and name h1')(residue 20 and name h8) 2.5 0.0 2.5
assign (residue 19 and name h2'')(residue 20 and name h8) 2.0 0.0 2.0

 {constraints for residue 20 from expt}
assign (residue 20 and name h1')(residue 20 and name h8) 2.0 0.0 2.0
assign (residue 20 and name h1')(residue 20 and name h3') 2.0 0.0 2.0
assign (residue 20 and name h1')(residue 20 and name h4') 2.0 0.0 2.5
assign (residue 20 and name h4')(residue 20 and name h8) 2.5 0.0 2.5
assign (residue 20 and name h2'')(residue 20 and name h8) 2.0 0.0 4.0
assign (residue 20 and name h3')(residue 20 and name h8) 2.0 0.0 3.0

 {constraints for residue 20 to 21 from expt}
assign (residue 20 and name h1')(residue 21 and name h6) 2.0 0.0 4.0
assign (residue 20 and name h2'')(residue 21 and name h6) 2.0 0.0 4.0
assign (residue 20 and name h3')(residue 21 and name h5) 2.5 0.0 2.5

 {constraints for residue 21 from expt}
assign (residue 21 and name h1')(residue 21 and name h4') 2.0 0.0 2.5
assign (residue 21 and name h2'')(residue 21 and name h6) 1.8 0.0 2.0
assign (residue 21 and name h1')(residue 21 and name h6) 2.0 0.0 2.5
assign (residue 21 and name h3')(residue 21 and name h5) 2.5 0.0 2.5

 {constraints for residue 21 from 400 ms D2O NOESY}
assign (residue 21 and name h2'')(residue 21 and name h5) 3.0 0.0 4.0

 {constraints for residue 21 to 22 from expt}
assign (residue 21 and name h2'')(residue 22 and name h1') 3.0 0.0 4.0
assign (residue 21 and name h2'')(residue 22 and name h6) 2.0 0.0 2.0
assign (residue 21 and name h5)(residue 22 and name h5) 3.0 0.0 4.0
assign (residue 21 and name h4')(residue 22 and name h6) 2.5 0.0 2.5

 {constraints for residue 22 from expt}
assign (residue 22 and name h1')(residue 22 and name h6) 2.5 0.0 2.5
assign (residue 22 and name h1')(residue 22 and name h3') 2.0 0.0 2.0
assign (residue 22 and name h2'')(residue 22 and name h6) 2.0 0.0 2.0
assign (residue 22 and name h3')(residue 22 and name h6) 2.0 0.0 2.0

        {constraints for Cohex from H2O-NOESY 400 ms}
        {imino and amino}
assign (residue 23 and name CO) (residue 10 and name h1) 4.3 0.0 5.0
;assign (residue 23 and name CO) (residue 14 and name h1) 4.3 0.0 5.0
assign (residue 23 and name CO) (residue 9 and name n4) 5.3 0.0 6.0

        {aromatic}
assign (residue 23 and name CO) (residue 11 and name h8) 4.3 0.0 4.0
;assign (residue 23 and name CO) (residue 9 and name h6) 4.3 0.0 4.0
;assign (residue 23 and name CO) (residue 9 and name h5) 4.3 0.0 5.0
assign (residue 23 and name CO) (residue 10 and name h8) 4.3 0.0 6.0

        {end of CoHex constraints; 7 total}



  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          2H5'        G   1  13.792   5.358  25.038
    2   2H5*    G   1          1H5'        G   1  12.480   4.164  24.937
    3    H4*    G   1           H4'        G   1  12.738   5.391  22.820
    4    H3*    G   1           H3'        G   1  13.381   2.412  22.806
    5    H2*    G   1           H2'        G   1  14.119   2.564  20.558
    6   2HO*    G   1          HO2         G   1  12.041   4.234  20.449
    7    H1*    G   1           H1'        G   1  15.025   5.237  20.571
    8    H8     G   1           H8         G   1  15.900   2.001  22.599
    9    H1     G   1           H1         G   1  20.554   4.395  18.871
   10   1H2     G   1          1H2         G   1  19.867   6.299  17.943
   11   2H2     G   1          2H2         G   1  18.213   6.849  18.087
   12    H5*    G   1           H5'        G   1  14.685   2.952  24.161
   13   1H5*    G   2          2H5'        G   2   9.964   4.585  19.979
   14   2H5*    G   2          1H5'        G   2   9.110   3.328  19.060
   15    H4*    G   2           H4'        G   2  10.004   5.416  17.786
   16    H3*    G   2           H3'        G   2  10.411   2.525  16.883
   17    H2*    G   2           H2'        G   2  11.711   3.336  15.016
   18   2HO*    G   2          HO2         G   2  11.041   5.998  15.777
   19    H1*    G   2           H1'        G   2  13.214   5.164  16.400
   20    H8     G   2           H8         G   2  12.614   2.411  18.856
   21    H1     G   2           H1         G   2  16.845   0.744  14.332
   22   1H2     G   2          1H2         G   2  16.908   2.299  12.743
   23   2H2     G   2          2H2         G   2  15.768   3.625  12.709
   24   1H5*    C   3          2H5'        C   3   9.886   4.733  12.960
   25   2H5*    C   3          1H5'        C   3   8.975   3.490  12.081
   26    H4*    C   3           H4'        C   3  11.381   4.215  11.269
   27    H3*    C   3           H3'        C   3  10.391   1.320  11.418
   28    H2*    C   3           H2'        C   3  12.537   0.669  10.544
   29   2HO*    C   3          HO2         C   3  12.917   1.962   8.860
   30    H1*    C   3           H1'        C   3  14.042   2.672  11.862
   31   1H4     C   3          1H4         C   3  15.172  -2.777  14.967
   32   2H4     C   3          2H4         C   3  13.816  -2.464  16.028
   33    H5     C   3           H5         C   3  12.168  -0.692  15.557
   34    H6     C   3           H6         C   3  11.645   1.199  14.108
   35   1H5*    G   4          2H5'        G   4  11.963   2.802   7.395
   36   2H5*    G   4          1H5'        G   4  10.800   2.280   6.158
   37    H4*    G   4           H4'        G   4  13.177   2.011   5.454
   38    H3*    G   4           H3'        G   4  11.372  -0.432   5.656
   39    H2*    G   4           H2'        G   4  13.207  -1.867   5.159
   40   2HO*    G   4          HO2         G   4  14.263   0.503   4.028
   41    H1*    G   4           H1'        G   4  15.238  -0.446   6.450
   42    H8     G   4           H8         G   4  12.167  -0.704   8.658
   43    H1     G   4           H1         G   4  15.907  -5.922   8.789
   44   1H2     G   4          1H2         G   4  17.400  -5.841   7.132
   45   2H2     G   4          2H2         G   4  17.589  -4.408   6.143
   46   1H5*    A   5          2H5'        A   5   9.880  -2.832   2.437
   47   2H5*    A   5          1H5'        A   5  10.053  -3.452   4.095
   48    H4*    A   5           H4'        A   5  12.304  -2.716   2.166
   49    H3*    A   5           H3'        A   5  11.147  -5.429   2.748
   50    H2*    A   5           H2'        A   5  13.072  -6.358   3.688
   51   2HO*    A   5          HO2         A   5  14.912  -4.558   2.655
   52    H1*    A   5           H1'        A   5  14.512  -4.162   4.599
   53    H8     A   5           H8         A   5  11.237  -3.546   6.077
   54   1H6     A   5          1H6         A   5  12.329  -8.067  10.157
   55   2H6     A   5          2H6         A   5  11.344  -6.666   9.799
   56    H2     A   5           H2         A   5  15.432  -8.317   6.955
   57   1H5*    A   6          2H5'        A   6  11.036  -8.758   0.162
   58   2H5*    A   6          1H5'        A   6  11.144  -7.862   1.691
   59    H4*    A   6           H4'        A   6  13.580  -9.241   0.582
   60    H3*    A   6           H3'        A   6  11.260 -10.597   2.038
   61    H2*    A   6           H2'        A   6  12.887 -11.859   3.298
   62   2HO*    A   6          HO2         A   6  14.318 -11.488   1.048
   63    H1*    A   6           H1'        A   6  14.639  -9.774   3.772
   64    H8     A   6           H8         A   6  11.439  -7.999   4.152
   65   1H6     A   6          1H6         A   6  10.604 -10.917   9.553
   66   2H6     A   6          2H6         A   6  10.125  -9.547   8.576
   67    H2     A   6           H2         A   6  13.983 -12.912   7.417
   68   1H5*    G   7          2H5'        G   7  13.073 -13.966   0.461
   69   2H5*    G   7          1H5'        G   7  11.904 -15.125  -0.203
   70    H4*    G   7           H4'        G   7  13.107 -15.951   1.831
   71    H3*    G   7           H3'        G   7  10.066 -15.617   1.989
   72    H2*    G   7           H2'        G   7  10.196 -16.505   4.215
   73   2HO*    G   7          HO2         G   7  12.859 -17.143   4.289
   74    H1*    G   7           H1'        G   7  12.625 -15.283   4.923
   75    H8     G   7           H8         G   7  10.649 -12.560   3.383
   76    H1     G   7           H1         G   7   8.308 -14.269   9.115
   77   1H2     G   7          1H2         G   7   9.213 -16.195   9.756
   78   2H2     G   7          2H2         G   7  10.391 -17.040   8.776
   79   1H5*    U   8          2H5'        U   8  10.648 -19.045   4.164
   80   2H5*    U   8          1H5'        U   8  10.138 -20.335   3.054
   81    H4*    U   8           H4'        U   8   9.093 -20.953   5.049
   82    H3*    U   8           H3'        U   8   7.121 -19.247   3.455
   83    H2*    U   8           H2'        U   8   5.604 -19.353   5.284
   84    H1*    U   8           H1'        U   8   7.485 -19.411   7.371
   85    H3     U   8           H3         U   8   5.177 -15.583   8.217
   86    H5     U   8           H5         U   8   7.198 -14.753   4.605
   87    H6     U   8           H6         U   8   7.960 -17.061   4.588
   88   1H5*    C   9          2H5'        C   9   5.608 -23.366   5.449
   89   2H5*    C   9          1H5'        C   9   4.055 -23.705   4.659
   90    H4*    C   9           H4'        C   9   4.188 -23.526   7.283
   91    H3*    C   9           H3'        C   9   2.008 -22.254   5.551
   92    H2*    C   9           H2'        C   9   1.013 -21.429   7.595
   93   2HO*    C   9          HO2         C   9   2.936 -22.923   9.077
   94    H1*    C   9           H1'        C   9   3.376 -20.636   8.808
   95   1H4     C   9          1H4         C   9   1.207 -15.471   5.742
   96   2H4     C   9          2H4         C   9   1.890 -16.037   4.234
   97    H5     C   9           H5         C   9   2.898 -18.271   3.999
   98    H6     C   9           H6         C   9   3.515 -20.306   5.198
   99   1H5*    G  10          2H5'        G  10  -1.014 -24.413   8.129
  100   2H5*    G  10          1H5'        G  10  -1.896 -25.183   6.794
  101    H4*    G  10           H4'        G  10  -3.299 -23.665   8.222
  102    H3*    G  10           H3'        G  10  -2.980 -23.043   5.245
  103    H2*    G  10           H2'        G  10  -4.371 -21.119   5.554
  104   2HO*    G  10          HO2         G  10  -5.180 -21.423   8.116
  105    H1*    G  10           H1'        G  10  -3.501 -20.446   8.151
  106    H8     G  10           H8         G  10  -0.932 -21.252   5.356
  107    H1     G  10           H1         G  10  -2.426 -15.045   6.039
  108   1H2     G  10          1H2         G  10  -4.055 -14.816   7.529
  109   2H2     G  10          2H2         G  10  -4.757 -16.189   8.355
  110   1H5*    A  11          2H5'        A  11  -6.509 -24.719   2.377
  111   2H5*    A  11          1H5'        A  11  -5.317 -23.405   2.325
  112    H4*    A  11           H4'        A  11  -7.579 -22.890   1.294
  113    H3*    A  11           H3'        A  11  -6.370 -21.152   3.484
  114    H2*    A  11           H2'        A  11  -8.350 -19.793   3.500
  115   2HO*    A  11          HO2         A  11  -8.609 -19.542   1.284
  116    H1*    A  11           H1'        A  11 -10.220 -21.808   3.254
  117    H8     A  11           H8         A  11  -7.260 -22.823   5.472
  118   1H6     A  11          1H6         A  11 -10.472 -20.298  10.135
  119   2H6     A  11          2H6         A  11  -9.078 -21.269   9.716
  120    H2     A  11           H2         A  11 -12.596 -19.351   6.326
  121   1H5*    A  12          2H5'        A  12  -6.098 -16.370   1.997
  122   2H5*    A  12          1H5'        A  12  -6.056 -17.434   3.418
  123    H4*    A  12           H4'        A  12  -8.628 -16.381   2.194
  124    H3*    A  12           H3'        A  12  -6.881 -15.172   4.387
  125    H2*    A  12           H2'        A  12  -8.799 -14.827   5.729
  126   2HO*    A  12          HO2         A  12 -10.838 -14.451   4.754
  127    H1*    A  12           H1'        A  12 -10.484 -16.841   4.503
  128    H8     A  12           H8         A  12  -7.717 -18.692   6.022
  129   1H6     A  12          1H6         A  12 -10.295 -17.759  11.581
  130   2H6     A  12          2H6         A  12  -9.128 -18.703  10.683
  131    H2     A  12           H2         A  12 -12.317 -15.063   8.655
  132   1H5*    A  13          2H5'        A  13  -5.896 -10.906   5.028
  133   2H5*    A  13          1H5'        A  13  -5.852 -12.670   5.234
  134    H4*    A  13           H4'        A  13  -8.204 -10.980   6.128
  135    H3*    A  13           H3'        A  13  -5.659 -11.684   7.667
  136    H2*    A  13           H2'        A  13  -6.997 -12.167   9.581
  137   2HO*    A  13          HO2         A  13  -8.398 -10.100   8.568
  138    H1*    A  13           H1'        A  13  -9.319 -13.062   8.202
  139    H8     A  13           H8         A  13  -6.505 -15.072   6.865
  140   1H6     A  13          1H6         A  13  -6.789 -18.491  12.028
  141   2H6     A  13          2H6         A  13  -6.104 -18.371  10.423
  142    H2     A  13           H2         A  13  -9.251 -14.821  12.668
  143   1H5*    G  14          2H5'        G  14  -6.500 -10.320  10.938
  144   2H5*    G  14          1H5'        G  14  -5.154  -9.236  11.347
  145    H4*    G  14           H4'        G  14  -5.351 -11.547  12.554
  146    H3*    G  14           H3'        G  14  -2.775 -10.410  11.369
  147    H2*    G  14           H2'        G  14  -1.642 -12.422  12.060
  148   2HO*    G  14          HO2         G  14  -3.266 -13.935  13.321
  149    H1*    G  14           H1'        G  14  -3.637 -14.211  11.356
  150    H8     G  14           H8         G  14  -3.470 -11.496   8.716
  151    H1     G  14           H1         G  14   1.028 -16.030   8.064
  152   1H2     G  14          1H2         G  14   1.115 -17.281   9.902
  153   2H2     G  14          2H2         G  14  -0.027 -17.078  11.211
  154   1H5*    A  15          2H5'        A  15  -2.487 -12.326  15.145
  155   2H5*    A  15          1H5'        A  15  -1.330 -11.592  16.275
  156    H4*    A  15           H4'        A  15  -0.978 -14.049  15.878
  157    H3*    A  15           H3'        A  15   1.269 -12.118  15.086
  158    H2*    A  15           H2'        A  15   2.575 -14.091  14.582
  159   2HO*    A  15          HO2         A  15   2.265 -15.566  16.104
  160    H1*    A  15           H1'        A  15   0.494 -15.506  13.376
  161    H8     A  15           H8         A  15   0.575 -11.772  12.461
  162   1H6     A  15          1H6         A  15   4.349 -13.459   7.843
  163   2H6     A  15          2H6         A  15   3.367 -12.164   8.492
  164    H2     A  15           H2         A  15   3.734 -17.003  10.474
  165   1H5*    U  16          2H5'        U  16   5.173 -13.600  17.432
  166   2H5*    U  16          1H5'        U  16   5.366 -12.359  16.174
  167    H4*    U  16           H4'        U  16   5.324 -15.365  15.895
  168    H3*    U  16           H3'        U  16   7.282 -13.167  15.133
  169    H2*    U  16           H2'        U  16   7.792 -14.287  13.087
  170    H1*    U  16           H1'        U  16   5.287 -15.432  12.556
  171    H3     U  16           H3         U  16   6.602 -12.450   9.254
  172    H5     U  16           H5         U  16   4.309 -10.275  12.052
  173    H6     U  16           H6         U  16   4.458 -12.189  13.542
  174   1H5*    G  17          2H5'        G  17   9.253 -17.013  17.032
  175   2H5*    G  17          1H5'        G  17  10.409 -16.639  18.327
  176    H4*    G  17           H4'        G  17  11.645 -17.908  16.775
  177    H3*    G  17           H3'        G  17  12.183 -14.932  16.392
  178    H2*    G  17           H2'        G  17  13.574 -15.446  14.487
  179   2HO*    G  17          HO2         G  17  14.691 -17.243  14.518
  180    H1*    G  17           H1'        G  17  11.947 -17.322  13.327
  181    H8     G  17           H8         G  17   9.770 -14.680  14.983
  182    H1     G  17           H1         G  17  11.951 -12.985   9.199
  183   1H2     G  17          1H2         G  17  13.435 -14.471   8.481
  184   2H2     G  17          2H2         G  17  14.003 -15.776   9.498
  185   1H5*    G  18          2H5'        G  18  16.769 -13.562  16.813
  186   2H5*    G  18          1H5'        G  18  15.217 -13.323  15.984
  187    H4*    G  18           H4'        G  18  17.500 -14.952  14.825
  188    H3*    G  18           H3'        G  18  16.911 -11.970  14.537
  189    H2*    G  18           H2'        G  18  17.402 -12.143  12.179
  190   2HO*    G  18          HO2         G  18  18.078 -14.855  12.299
  191    H1*    G  18           H1'        G  18  16.024 -14.460  11.696
  192    H8     G  18           H8         G  18  13.750 -12.999  14.177
  193    H1     G  18           H1         G  18  13.784  -9.556   8.760
  194   1H2     G  18          1H2         G  18  15.476 -10.184   7.470
  195   2H2     G  18          2H2         G  18  16.635 -11.389   7.982
  196   1H5*    C  19          2H5'        C  19  19.913 -12.890  11.960
  197   2H5*    C  19          1H5'        C  19  21.427 -12.197  12.575
  198    H4*    C  19           H4'        C  19  21.322 -11.869  10.176
  199    H3*    C  19           H3'        C  19  20.824  -9.285  11.753
  200    H2*    C  19           H2'        C  19  20.790  -8.168   9.596
  201   2HO*    C  19          HO2         C  19  21.734  -9.034   7.865
  202    H1*    C  19           H1'        C  19  19.160 -10.019   8.366
  203   1H4     C  19          1H4         C  19  15.688  -5.362  11.031
  204   2H4     C  19          2H4         C  19  15.442  -6.332  12.471
  205    H5     C  19           H5         C  19  16.710  -8.425  12.857
  206    H6     C  19           H6         C  19  18.270 -10.005  11.841
  207   1H5*    G  20          2H5'        G  20  23.569  -7.593   9.309
  208   2H5*    G  20          1H5'        G  20  24.146  -6.187  10.225
  209    H4*    G  20           H4'        G  20  22.313  -5.955   8.284
  210    H3*    G  20           H3'        G  20  22.289  -4.413  10.941
  211    H2*    G  20           H2'        G  20  20.327  -3.293  10.059
  212   2HO*    G  20          HO2         G  20  19.963  -3.146   7.916
  213    H1*    G  20           H1'        G  20  19.225  -5.555   8.852
  214    H8     G  20           H8         G  20  20.065  -6.925  12.132
  215    H1     G  20           H1         G  20  15.688  -2.249  12.655
  216   1H2     G  20          1H2         G  20  15.511  -1.171  10.706
  217   2H2     G  20          2H2         G  20  16.612  -1.480   9.385
  218   1H5*    C  21          2H5'        C  21  22.561  -0.764   8.445
  219   2H5*    C  21          1H5'        C  21  24.185  -0.186   8.872
  220    H4*    C  21           H4'        C  21  22.721   1.655   9.227
  221    H3*    C  21           H3'        C  21  23.377   0.270  11.871
  222    H2*    C  21           H2'        C  21  21.966   1.864  12.970
  223   2HO*    C  21          HO2         C  21  22.669   3.376  10.726
  224    H1*    C  21           H1'        C  21  20.047   2.120  10.917
  225   1H4     C  21          1H4         C  21  17.380  -1.478  15.444
  226   2H4     C  21          2H4         C  21  18.224  -2.902  14.869
  227    H5     C  21           H5         C  21  19.790  -2.818  12.961
  228    H6     C  21           H6         C  21  20.945  -1.332  11.405
  229   1H5*    C  22          2H5'        C  22  24.716   4.414  11.021
  230   2H5*    C  22          1H5'        C  22  26.184   5.065  11.779
  231    H4*    C  22           H4'        C  22  24.290   6.651  11.895
  232    H3*    C  22           H3'        C  22  25.274   5.476  14.529
  233    H2*    C  22           H2'        C  22  23.676   6.847  15.674
  234   2HO*    C  22          HO2         C  22  24.120   8.686  14.196
  235    H1*    C  22           H1'        C  22  21.588   6.369  13.934
  236   1H4     C  22          1H4         C  22  21.202   2.053  18.631
  237   2H4     C  22          2H4         C  22  22.029   0.887  17.620
  238    H5     C  22           H5         C  22  23.152   1.533  15.522
  239    H6     C  22           H6         C  22  23.487   3.353  13.927
  240   HO3*    C  22          HO3'        C  22  25.588   8.061  14.359