*HEADER    RNA                                     14-SEP-01   1JZC              
*TITLE     THE SOLUTION STRUCTURE OF THE MUTANT 5'AUG3' TRILOOP IN THE           
*TITLE    2 RNA PROMOTER REGION OF THE BROME MOSAIC VIRUS GENOMIC (+)-           
*TITLE    3 RNA                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*GP*UP*GP*CP*AP*UP*GP*GP*CP*AP*CP*C)-3';           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: MUTANT RNA TRILOOP 5'AUG3'OF THE RNA                  
*COMPND   6 PROMOTER REGION                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS A MUTANT TRILOOP OF WHICH            
*SOURCE   4 THE WILD TYPE IS NATURALLY OCCURING IN BROME MOSAIC VIRUS            
*SOURCE   5 GENOMIC RNA                                                          
*KEYWDS    RNA, BROME MOSAIC VIRUS, BMV, TRILOOP, NMR, REPLICATION,              
*KEYWDS   2 PROMOTER, RNA POLYMERASE                                             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    C.-H.KIM, C.C.KAO                                                     
*REVDAT   1   07-OCT-03 1JZC    0                                                


 slc13aug-global.noe
slc13pub.noe{slc13.noe}
{Renovado con correcciones estupidas y 2.5,0,2.5 en 6,6,6,2 y 9,3,8,4 el 5-10-98}
{Corregido en h2', o2' y h2'' el 5-11-98: ultimas correcciones 5-18-98}
{Corregido a de nuevo con w50, 100 y 150 y noed25500.mat 11-26-98; es decir,}
{corresponde a restricciones de distancia de P5 obtenidas from scratch}



{BASE PAIRING - based on standard H-bond distances}

 {base pair G1-C13}
assign (residue 13 and name h41)(residue 1 and name o6) 1.7 .1 .1
assign (residue 13 and name n3)(residue 1 and name h21) 3.0 .1 .1
assign (residue 13 and name o2)(residue 1 and name h21) 2.0 .1 .1
assign (residue 13 and name n3)(residue 1 and name h1) 1.9 .1 .1

 {base pair G2-C12}
assign (residue 12 and name h41)(residue 2 and name o6) 1.7 .1 .1
assign (residue 12 and name n3)(residue 2 and name h21) 3.0 .1 .1
assign (residue 12 and name o2)(residue 2 and name h21) 2.0 .1 .1
assign (residue 12 and name n3)(residue 2 and name h1) 1.9 .1 .1
 
      
        {base pairing U3-A11}
assign (residue 11 and name h2)(residue 3 and name o2) 3.2 .1 .1  
assign (residue 11 and name n1)(residue 3 and name h3) 1.9 .1 .1  
assign (residue 11 and name h61)(residue 3 and name o4) 1.8 .1 .1 
assign (residue 11 and name h2)(residue 3 and name h3) 2.9 .1 .1  
 
        
        {base pair G4-C10}
assign (residue 10 and name h41)(residue 4 and name o6) 1.7 .1 .1
assign (residue 10 and name n3)(residue 4 and name h21) 3.0 .1 .1
assign (residue 10 and name o2)(residue 4 and name h21) 2.0 .1 .1
assign (residue 10 and name n3)(residue 4 and name h1) 1.9 .1 .1 

        {base pair C5-G9}
assign (residue 5 and name h41)(residue 9 and name o6) 1.7 .1 2.0
assign (residue 5 and name n3)(residue 9 and name h21) 3.0 .1 2.0
assign (residue 5 and name o2)(residue 9 and name h21) 2.0 .1 2.0
assign (residue 5 and name n3)(residue 9 and name h1) 1.9 .1 2.0
      
 
        
{DISTANCE RESTRICTIONS FOR EXCHANGEABLE PROTONS FROM THE H2O NOESY}

{from 200ms H2O NOESY at 20c and 300ms H2O NOESY at 10c}
  
{imino proton to imino proton}
assign (residue 2 and name h1)(residue 3 and name h3) 1.8 0 3.2
assign (residue 3 and name h3)(residue 4 and name h1) 1.8 0 3.2


{imino proton to amino proton A h2 proton aromatic proton, or}
assign (residue 2 and name h1)(residue 12 and name h41) 1.8 0 3.2
assign (residue 2 and name h1)(residue 12 and name h42) 1.8 0 3.2
assign (residue 3 and name h3)(residue 11 and name h2)  1.8 0 3.2
assign (residue 4 and name h1)(residue 10 and name h41) 1.8 0 3.2
assign (residue 4 and name h1)(residue 10 and name h42) 1.8 0 3.2
assign (residue 9 and name h1)(residue 5 and name h41) 1.8 0 3.2
assign (residue 9 and name h1)(residue 5 and name h42) 1.8 0 3.2

{Total 10}


{Distance restriction for nonexchangeable protons from D2O NOESY}
 
{G1}
assign (residue 1 and name h1')(residue 1 and name h2'') 1.8 0 1.4
assign (residue 1 and name h8)(residue 1 and name h1') 2.0 0 2.0
assign (residue 1 and name h8)(residue 1 and name h2'') 2.5 0 2.5
assign (residue 1 and name h8)(residue 1 and name h3') 2.0 0 2.0
assign (residue 1 and name h8)(residue 2 and name h8) 3.0 0 4.0
assign (residue 1 and name h8)(residue 1 and name h4') 2.5 0 2.5


{G2}
assign (residue 2 and name h1')(residue 2 and name h2'') 1.8 0 1.4
assign (residue 2 and name h1')(residue 3 and name h5) 3.0 0 4.0
assign (residue 2 and name h1')(residue 3 and name h1') 3.0 0 4.0
assign (residue 2 and name h8)(residue 2 and name h1') 2.0 0 2.0
assign (residue 2 and name h8)(residue 2 and name h2'') 2.0 0 2.0
assign (residue 2 and name h8)(residue 2 and name h3') 1.8 0 1.4
assign (residue 2 and name h8)(residue 1 and name h1') 2.5 0 2.5
assign (residue 2 and name h8)(residue 1 and name h2') 2.0 0 2.0
assign (residue 2 and name h8)(residue 1 and name h3') 1.8 0 1.4
assign (residue 2 and name h8)(residue 2 and name h4') 2.5 0 2.5
assign (residue 2 and name h8)(residue 3 and name h5) 3.0 0 4.0
assign (residue 2 and name h8)(residue 3 and name h6) 2.5 0 2.5

{U3}
assign (residue 3 and name h1')(residue 3 and name h2'') 1.8 0 1.4
assign (residue 3 and name h1')(residue 3 and name h5) 3.0 0 4.0
assign (residue 3 and name h1')(residue 4 and name h1') 3.0 0 4.0
assign (residue 3 and name h6)(residue 2 and name h1') 2.5 0 2.5
assign (residue 3 and name h6)(residue 3 and name h1') 2.5 0 2.5
assign (residue 3 and name h6)(residue 3 and name h2'') 1.8 0 1.4
assign (residue 3 and name h6)(residue 2 and name h2'') 1.8 0 1.4
assign (residue 3 and name h6)(residue 2 and name h3') 2.0 0 2.0
assign (residue 3 and name h6)(residue 3 and name h5) 1.8 0 1.4
assign (residue 3 and name h6)(residue 4 and name h8) 2.5 0 2.5
assign (residue 3 and name h5)(residue 2 and name h2'') 2.5 0 2.5

{G4}
assign (residue 4 and name h1')(residue 4 and name h2'') 1.8 0 1.4
assign (residue 4 and name h1')(residue 5 and name h5) 3.0 0 4.0
assign (residue 4 and name h8)(residue 4 and name h1') 2.5 0 2.5
assign (residue 4 and name h8)(residue 4 and name h2'') 2.5 0 2.5
assign (residue 4 and name h8)(residue 4 and name h3') 1.8 0 1.4
assign (residue 4 and name h8)(residue 3 and name h1') 2.5 0 2.5
assign (residue 4 and name h8)(residue 3 and name h2'') 1.8 0 1.4
assign (residue 4 and name h8)(residue 5 and name h6) 3.0 0 4.0
assign (residue 4 and name h8)(residue 5 and name h5) 3.0 0 4.0

{C5}
assign (residue 5 and name h1')(residue 5 and name h2'') 1.8 0 1.4
assign (residue 5 and name h1')(residue 5 and name h5') 2.5 0 2.5
assign (residue 5 and name h1')(residue 5 and name h5'') 2.5 0 2.5
assign (residue 5 and name h1')(residue 5 and name h5) 3.0 0 4.0
assign (residue 5 and name h1')(residue 6 and name h1') 3.0 0 4.0
assign (residue 5 and name h1')(residue 6 and name h2'') 3.0 0 4.0
assign (residue 5 and name h1')(residue 8 and name h3') 3.0 0 4.0
assign (residue 5 and name h6)(residue 5 and name h1') 2.0 0 2.0
assign (residue 5 and name h6)(residue 5 and name h2'') 1.8 0 1.4
assign (residue 5 and name h6)(residue 5 and name h3') 1.8 0 1.4
assign (residue 5 and name h6)(residue 5 and name h4') 2.5 0 2.5
assign (residue 5 and name h6)(residue 5 and name h5') 2.5 0 2.5
assign (residue 5 and name h6)(residue 5 and name h5'') 2.5 0 2.5
assign (residue 5 and name h6)(residue 4 and name h1') 2.5 0 2.5
assign (residue 5 and name h6)(residue 4 and name h2'') 1.8 0 1.4
assign (residue 5 and name h6)(residue 4 and name h3') 2.0 0 2.0
assign (residue 5 and name h5)(residue 5 and name h6) 1.8 0 1.4
assign (residue 5 and name h5)(residue 5 and name h1') 3.0 0 4.0
assign (residue 5 and name h5)(residue 5 and name h2'') 2.5 0 2.5
assign (residue 5 and name h5)(residue 4 and name h2'') 2.5 0 2.5
assign (residue 5 and name h5)(residue 4 and name h3') 2.0 0 2.0
assign (residue 5 and name h5)(residue 4 and name h8) 3.0 0 4.0
assign (residue 5 and name h5)(residue 6 and name h8) 3.0 0 4.0
assign (residue 5 and name h6)(residue 6 and name h8) 3.0 0 4.0
assign (residue 5 and name h1')(residue 4 and name h2'') 2.5 0 2.5
assign (residue 5 and name h1')(residue 5 and name h4') 2.5 0 2.5


{A6}
assign (residue 6 and name h1')(residue 6 and name h2'') 2.0 0 2.0
assign (residue 6 and name h1')(residue 5 and name h5') 3.0 0 4.0
assign (residue 6 and name h1')(residue 5 and name h5'') 3.0 0 4.0
assign (residue 6 and name h1')(residue 6 and name h4') 2.5 0 2.5
assign (residue 6 and name h1')(residue 6 and name h5') 3.0 0 4.0
assign (residue 6 and name h1')(residue 6 and name h5'') 3.0 0 4.0
assign (residue 6 and name h1')(residue 5 and name h2'') 3.0 0 4.0
assign (residue 6 and name h1')(residue 7 and name h5) 2.5 0 2.5
assign (residue 6 and name h1')(residue 7 and name h1') 3.0 0 4.0
assign (residue 6 and name h1')(residue 7 and name h5') 3.0 0 4.0
assign (residue 6 and name h1')(residue 7 and name h5'') 3.0 0 4.0
assign (residue 6 and name h2'')(residue 7 and name h5') 2.5 0 2.5
assign (residue 6 and name h2'')(residue 7 and name h5'') 2.5 0 2.5
assign (residue 6 and name h2'')(residue 7 and name h3') 2.5 0 2.5
assign (residue 6 and name h8)(residue 6 and name h1') 2.5 0 2.5
assign (residue 6 and name h8)(residue 6 and name h2'') 1.8 0 1.4
assign (residue 6 and name h8)(residue 6 and name h3') 2.5 0 2.5

assign (residue 6 and name h8)(residue 6 and name h4') 2.5 0 2.5

assign (residue 6 and name h8)(residue 6 and name h5') 2.5 0 2.5
assign (residue 6 and name h8)(residue 6 and name h5'') 2.5 0 2.5
assign (residue 6 and name h8)(residue 5 and name h1') 2.5 0 2.5
assign (residue 6 and name h8)(residue 5 and name h2'') 2.5 0 2.5
assign (residue 6 and name h8)(residue 5 and name h3') 2.5 0 2.5
assign (residue 6 and name h8)(residue 5 and name h4') 2.5 0 2.5
assign (residue 6 and name h8)(residue 5 and name h5') 3.0 0 4.0
assign (residue 6 and name h8)(residue 5 and name h5'') 3.0 0 4.0
assign (residue 6 and name h8)(residue 7 and name h5') 3.0 0 4.0
assign (residue 6 and name h8)(residue 7 and name h5'') 3.0 0 4.0
assign (residue 6 and name h8)(residue 7 and name h5'') 3.0 0 4.0
assign (residue 6 and name h8)(residue 7 and name h5) 3.0 0 4.0
assign (residue 6 and name h8)(residue 7 and name h6) 3.0 0 4.0
assign (residue 6 and name h2)(residue 6 and name h1') 3.0 0 4.0
assign (residue 6 and name h2)(residue 8 and name h1') 3.0 0 4.0
assign (residue 6 and name h2)(residue 10 and name h1') 3.0 0 4.0
assign (residue 6 and name h2)(residue 7 and name h6) 3.0 0 4.0
assign (residue 6 and name h2)(residue 6 and name h1') 3.0 0 4.0
assign (residue 6 and name h2)(residue 7 and name h1') 3.0 0 4.0
assign (residue 6 and name h2)(residue 5 and name h2'') 3.0 0 4.0
assign (residue 6 and name h2)(residue 7 and name h2'') 3.0 0 4.0
assign (residue 6 and name h2)(residue 8 and name h2'') 3.0 0 4.0
assign (residue 6 and name h2)(residue 8 and name h3') 3.0 0 4.0
assign (residue 6 and name h2)(residue 9 and name h1') 3.0 0 4.0
assign (residue 6 and name h2)(residue 5 and name h4') 3.0 0 4.0
assign (residue 6 and name h2)(residue 8 and name h5') 3.0 0 4.0
assign (residue 6 and name h2)(residue 8 and name h5'') 3.0 0 4.0

{assign (residue 6 and name h1')(residue 5 and name h3') 2.5 0 2.5}



{Negatvie NOEs}

{assign (residue 6 and name h2)(residue 9 and name h5') 5.2 0 30.0}
{assign (residue 6 and name h2)(residue 9 and name h5'') 5.2 0 30.0}

{U7}
assign (residue 7 and name h1')(residue 7 and name h2'') 2.0 0 2.0
assign (residue 7 and name h1')(residue 8 and name h1') 3.0 0 4.0
assign (residue 7 and name h6)(residue 7 and name h5) 1.8 0 1.4
assign (residue 7 and name h6)(residue 7 and name h1') 2.0 0 2.0
assign (residue 7 and name h6)(residue 7 and name h2'') 1.8 0 1.4
assign (residue 7 and name h6)(residue 7 and name h3') 2.0 0 2.0
assign (residue 7 and name h6)(residue 6 and name h1') 2.5 0 2.5
assign (residue 7 and name h6)(residue 6 and name h2'') 2.5 0 2.5
assign (residue 7 and name h6)(residue 6 and name h3') 2.5 0 2.5
assign (residue 7 and name h6)(residue 7 and name h4') 2.5 0 2.5
assign (residue 7 and name h6)(residue 7 and name h5') 2.5 0 2.5
assign (residue 7 and name h6)(residue 7 and name h5'') 2.5 0 2.5
assign (residue 7 and name h1')(residue 8 and name h5') 3.0 0 4.0
assign (residue 7 and name h1')(residue 8 and name h5'') 3.0 0 4.0
assign (residue 7 and name h5)(residue 7 and name h2'') 2.5 0 2.5

{U7 negative noe}
{assign (residue 7 and name h5)(residue 5 and name h4') 5.2 0.0 30.0}
{assign (residue 7 and name h5)(residue 6 and name h4') 5.2 0.0 30.0}
{assign (residue 7 and name h5)(residue 8 and name h8) 5.2 0.0 15.0}
{assign (residue 7 and name h5)(residue 8 and name h1') 5.2 0.0 30.0}
{assign (residue 7 and name h6)(residue 8 and name h1') 5.2 0.0 15.0}



{G8}
assign (residue 8 and name h1')(residue 8 and name h2'') 2.0 0 2.0
assign (residue 8 and name h1')(residue 7 and name h1') 3.0 0 4.0
assign (residue 8 and name h1')(residue 10 and name h1') 3.0 0 4.0
assign (residue 8 and name h1')(residue 7 and name h2'') 2.5 0 2.5
assign (residue 8 and name h1')(residue 7 and name h5') 2.5 0 2.5
assign (residue 8 and name h1')(residue 7 and name h5'') 2.5 0 2.5
assign (residue 8 and name h2'')(residue 8 and name h5') 2.5 0 2.5
assign (residue 8 and name h2'')(residue 8 and name h5'') 2.5 0 2.5
assign (residue 8 and name h8)(residue 8 and name h1') 2.5 0 2.5
assign (residue 8 and name h8)(residue 8 and name h2'') 1.8 0 1.4
assign (residue 8 and name h8)(residue 8 and name h3') 1.8 0 1.4
assign (residue 8 and name h8)(residue 8 and name h4') 3.0 0 4.0
assign (residue 8 and name h8)(residue 8 and name h5') 2.5 0 2.5
assign (residue 8 and name h8)(residue 8 and name h5'') 2.5 0 2.5
assign (residue 8 and name h8)(residue 9 and name h8) 3.0 0 4.0
assign (residue 8 and name h1')(residue 8 and name h5') 3.0 0 4.0
assign (residue 8 and name h1')(residue 8 and name h5'') 3.0 0 4.0
assign (residue 8 and name h1')(residue 5 and name h2'') 3.0 0 4.0
assign (residue 8 and name h1')(residue 8 and name h4') 2.5 0 2.5
assign (residue 8 and name h1')(residue 8 and name h3') 2.5 0 2.5
assign (residue 8 and name h3')(residue 8 and name h5') 2.0 0 2.0
assign (residue 8 and name h3')(residue 8 and name h5'') 2.0 0 2.0
assign (residue 8 and name h5')(residue 8 and name h5'') 1.8 0 1.4


{G9}
assign (residue 9 and name h1')(residue 9 and name h2'') 2.5 0 2.5
assign (residue 9 and name h1')(residue 9 and name h3') 2.5 0 2.5
assign (residue 9 and name h1')(residue 9 and name h4') 2.0 0 2.0
assign (residue 9 and name h1')(residue 10 and name h5) 2.5 0 2.5
assign (residue 9 and name h2'')(residue 10 and name h5) 2.5 0 2.5
assign (residue 9 and name h1')(residue 10 and name h1') 2.5 0 2.5
assign (residue 9 and name h8)(residue 5 and name h2'') 3.0 0 4.0
assign (residue 9 and name h8)(residue 8 and name h1') 3.0 0 4.0
assign (residue 9 and name h8)(residue 8 and name h3') 2.5 0 2.5
assign (residue 9 and name h8)(residue 8 and name h4') 2.5 0 2.5
assign (residue 9 and name h8)(residue 8 and name h5') 2.5 0 2.5
assign (residue 9 and name h8)(residue 8 and name h5'') 2.5 0 2.5
assign (residue 9 and name h8)(residue 9 and name h1') 2.5 0 2.5
assign (residue 9 and name h8)(residue 9 and name h2'') 1.8 0 1.4
assign (residue 9 and name h8)(residue 9 and name h3') 2.5 0 2.5
assign (residue 9 and name h8)(residue 9 and name h4') 2.5 0 2.5
assign (residue 9 and name h8)(residue 10 and name h5) 2.5 0 2.5
assign (residue 9 and name h8)(residue 10 and name h6) 2.5 0 2.5
assign (residue 9 and name h8)(residue 9 and name h5') 2.5 0 2.5
assign (residue 9 and name h8)(residue 9 and name h5'') 2.5 0 2.5

assign (residue 9 and name h1')(residue 10 and name h2'') 2.5 0 2.5



{C10}
assign (residue 10 and name h1')(residue 10 and name h2'') 1.8 0 1.4
assign (residue 10 and name h1')(residue 11 and name h1') 3.0 0 4.0
assign (residue 10 and name h1')(residue 10 and name h5) 3.0 0 4.0
assign (residue 10 and name h6)(residue 10 and name h5) 1.8 0 1.4
assign (residue 10 and name h6)(residue 10 and name h1') 2.5 0 2.5
assign (residue 10 and name h6)(residue 10 and name h2'') 2.0 0 2.0
assign (residue 10 and name h6)(residue 10 and name h3') 1.8 0 1.4
assign (residue 10 and name h6)(residue 9 and name h1') 1.8 0 1.4
assign (residue 10 and name h6)(residue 9 and name h2') 2.5 0 2.5
{assign (residue 10 and name h6)(residue 9 and name h3') 2.5 0 2.5}
assign (residue 10 and name h6)(residue 9 and name h4') 2.5 0 2.5

{A11}
assign (residue 11 and name h1')(residue 11 and name h2'') 1.8 0 1.4
assign (residue 11 and name h1')(residue 12 and name h1') 3.0 0 4.0
assign (residue 11 and name h1')(residue 12 and name h5) 3.0 0 4.0
assign (residue 11 and name h8)(residue 11 and name h1') 2.5 0 2.5
assign (residue 11 and name h8)(residue 11 and name h2'') 1.8 0 1.4
assign (residue 11 and name h8)(residue 11 and name h3') 2.0 0 2.0
assign (residue 11 and name h8)(residue 10 and name h1') 2.5 0 2.5
assign (residue 11 and name h8)(residue 10 and name h2'') 2.5 0 2.5
assign (residue 11 and name h8)(residue 10 and name h3') 2.0 0 2.0
assign (residue 11 and name h8)(residue 10 and name h6) 3.0 0 4.0
assign (residue 11 and name h2)(residue 4 and name h1') 2.5 0 2.5
assign (residue 11 and name h2)(residue 12 and name h1') 2.5 0 2.5
assign (residue 11 and name h2)(residue 11 and name h1') 3.0 0 4.0
assign (residue 11 and name h2)(residue 11 and name h2'') 3.0 0 4.0
assign (residue 11 and name h2)(residue 12 and name h2'') 3.0 0 4.0
assign (residue 11 and name h2)(residue 12 and name h3') 3.0 0 4.0
assign (residue 11 and name h2)(residue 4 and name h2'') 3.0 0 4.0
assign (residue 11 and name h2)(residue 4 and name h8) 3.0 0 4.0


{C12}
assign (residue 12 and name h1')(residue 12 and name h2'') 1.8 0 1.4
assign (residue 12 and name h1')(residue 12 and name h5) 3.0 0 4.0
assign (residue 12 and name h6)(residue 12 and name h5) 1.8 0 1.4
assign (residue 12 and name h5)(residue 13 and name h5) 2.5 0 2.5
assign (residue 12 and name h6)(residue 11 and name h8) 3.0 0 4.0
assign (residue 12 and name h6)(residue 11 and name h1') 2.5 0 2.5
assign (residue 12 and name h6)(residue 11 and name h3') 2.0 0 2.0
assign (residue 12 and name h6)(residue 12 and name h1') 2.0 0 2.0
assign (residue 12 and name h6)(residue 12 and name h2') 2.5 0 2.5
assign (residue 12 and name h6)(residue 12 and name h3') 1.8 0 1.4
assign (residue 12 and name h6)(residue 12 and name h4') 3.0 0 4.0


{C13}
assign (residue 13 and name h6)(residue 13 and name h5) 1.8 0 1.4
assign (residue 13 and name h6)(residue 12 and name h6) 3.0 0 4.0
assign (residue 13 and name h1')(residue 13 and name h2'') 1.8 0 1.4
assign (residue 13 and name h1')(residue 13 and name h5) 3.0 0 4.0
assign (residue 13 and name h6)(residue 13 and name h1') 2.0 0 2.0
assign (residue 13 and name h6)(residue 13 and name h2'') 1.8 0 1.4
assign (residue 13 and name h6)(residue 13 and name h3') 1.8 0 1.4
assign (residue 13 and name h6)(residue 12 and name h1') 2.5 0 2.5
assign (residue 13 and name h6)(residue 12 and name h2'') 1.8 0 1.4
assign (residue 13 and name h6)(residue 12 and name h3') 2.0 0 2.0
assign (residue 13 and name h6)(residue 13 and name h4') 3.0 0 4.0














  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1  -5.511 -12.568  -7.110
    2   2H5*    G   1          2H5*        G   1  -6.130 -10.915  -7.297
    3    H4*    G   1           H4*        G   1  -7.435 -12.242  -5.661
    4    H3*    G   1           H3*        G   1  -5.999  -9.727  -4.768
    5    H2*    G   1           H2*        G   1  -6.481 -10.168  -2.454
    6   2HO*    G   1          2HO*        G   1  -8.424 -10.952  -2.121
    7    H1*    G   1           H1*        G   1  -5.899 -12.817  -2.392
    8    H8     G   1           H8         G   1  -3.366 -12.023  -4.869
    9    H1     G   1           H1         G   1  -2.016  -9.147   0.712
   10   1H2     G   1          1H2         G   1  -3.812  -9.141   2.019
   11   2H2     G   1          2H2         G   1  -5.300  -9.934   1.554
   12    H5T    G   1           H5T        G   1  -3.941 -10.774  -7.113
   13   1H5*    G   2          1H5*        G   2  -9.711  -9.472  -2.355
   14   2H5*    G   2          2H5*        G   2 -10.371  -7.902  -2.854
   15    H4*    G   2           H4*        G   2 -10.162  -8.085  -0.398
   16    H3*    G   2           H3*        G   2  -8.397  -6.021  -1.801
   17    H2*    G   2           H2*        G   2  -7.514  -5.410   0.360
   18   2HO*    G   2          2HO*        G   2  -9.959  -6.191   1.134
   19    H1*    G   2           H1*        G   2  -7.254  -7.967   1.368
   20    H8     G   2           H8         G   2  -6.411  -7.827  -2.362
   21    H1     G   2           H1         G   2  -1.546  -6.234   1.514
   22   1H2     G   2          1H2         G   2  -2.280  -5.980   3.591
   23   2H2     G   2          2H2         G   2  -3.935  -6.331   4.039
   24   1H5*    U   3          1H5*        U   3 -10.066  -4.152   1.559
   25   2H5*    U   3          2H5*        U   3 -10.660  -2.524   1.180
   26    H4*    U   3           H4*        U   3  -9.065  -2.399   3.007
   27    H3*    U   3           H3*        U   3  -7.990  -1.313   0.355
   28    H2*    U   3           H2*        U   3  -5.958  -0.777   1.509
   29   2HO*    U   3          2HO*        U   3  -5.947  -0.270   3.602
   30    H1*    U   3           H1*        U   3  -5.931  -3.004   3.227
   31    H3     U   3           H3         U   3  -2.254  -3.903   0.718
   32    H5     U   3           H5         U   3  -5.385  -3.944  -2.108
   33    H6     U   3           H6         U   3  -6.897  -3.265  -0.332
   34   1H5*    G   4          1H5*        G   4  -6.837   1.442   3.788
   35   2H5*    G   4          2H5*        G   4  -7.316   3.022   3.134
   36    H4*    G   4           H4*        G   4  -5.029   3.115   3.972
   37    H3*    G   4           H3*        G   4  -5.281   3.264   0.924
   38    H2*    G   4           H2*        G   4  -2.868   3.509   0.856
   39   2HO*    G   4          2HO*        G   4  -2.888   4.994   2.693
   40    H1*    G   4           H1*        G   4  -2.288   1.627   2.758
   41    H8     G   4           H8         G   4  -5.164   0.972   0.229
   42    H1     G   4           H1         G   4   0.509  -1.633  -1.273
   43   1H2     G   4          1H2         G   4   2.056  -0.970   0.171
   44   2H2     G   4          2H2         G   4   1.665   0.018   1.562
   45   1H5*    C   5          1H5*        C   5  -3.546   7.226   1.682
   46   2H5*    C   5          2H5*        C   5  -4.271   8.341   0.514
   47    H4*    C   5           H4*        C   5  -1.850   8.007   0.141
   48    H3*    C   5           H3*        C   5  -3.832   7.298  -2.021
   49    H2*    C   5           H2*        C   5  -2.119   6.298  -3.324
   50   2HO*    C   5          2HO*        C   5  -0.641   7.993  -3.259
   51    H1*    C   5           H1*        C   5  -0.573   5.195  -1.346
   52   1H4     C   5          H41         C   5  -4.382   0.652  -3.716
   53   2H4     C   5          H42         C   5  -5.766   1.318  -2.879
   54    H5     C   5           H5         C   5  -5.604   3.354  -1.482
   55    H6     C   5           H6         C   5  -4.111   5.106  -0.724
   56   1H5*    A   6          1H5*        A   6  -1.484  10.600   2.123
   57   2H5*    A   6          2H5*        A   6  -1.866  11.770   0.846
   58    H4*    A   6           H4*        A   6   0.535  11.609   1.109
   59    H3*    A   6           H3*        A   6  -0.618  11.298  -1.426
   60    H2*    A   6           H2*        A   6  -0.351   8.866  -1.446
   61   2HO*    A   6          2HO*        A   6   1.177   8.621  -2.960
   62    H1*    A   6           H1*        A   6   2.364   9.337  -0.153
   63    H8     A   6           H8         A   6  -0.207   7.061   1.396
   64   1H6     A   6          H61         A   6   2.915   2.377  -1.188
   65   2H6     A   6          H62         A   6   1.694   2.802  -0.009
   66    H2     A   6           H2         A   6   4.404   6.211  -2.929
   67   1H5*    U   7          1H5*        U   7   0.314  11.102  -4.336
   68   2H5*    U   7          2H5*        U   7   1.686  10.928  -3.229
   69    H4*    U   7           H4*        U   7   1.723  12.667  -5.715
   70    H3*    U   7           H3*        U   7   1.818   9.874  -5.859
   71    H2*    U   7           H2*        U   7   3.835   9.599  -4.554
   72   2HO*    U   7          2HO*        U   7   4.096   9.473  -7.167
   73    H1*    U   7           H1*        U   7   4.972  12.114  -5.842
   74    H3     U   7           H3         U   7   8.592  12.063  -3.122
   75    H5     U   7           H5         U   7   5.562  10.472  -0.654
   76    H6     U   7           H6         U   7   4.027  10.686  -2.525
   77   1H5*    G   8          1H5*        G   8   1.451   8.144  -9.011
   78   2H5*    G   8          2H5*        G   8  -0.019   7.739  -8.101
   79    H4*    G   8           H4*        G   8   2.845   7.785  -7.130
   80    H3*    G   8           H3*        G   8   0.879   5.601  -7.702
   81    H2*    G   8           H2*        G   8   0.964   4.620  -5.496
   82   2HO*    G   8          2HO*        G   8   3.393   5.077  -5.549
   83    H1*    G   8           H1*        G   8   0.749   6.814  -4.010
   84    H8     G   8           H8         G   8  -0.997   4.824  -6.542
   85    H1     G   8           H1         G   8  -4.338  10.159  -5.302
   86   1H2     G   8          1H2         G   8  -3.051  11.646  -4.265
   87   2H2     G   8          2H2         G   8  -1.448  11.237  -3.696
   88   1H5*    G   9          1H5*        G   9   5.346   5.892  -7.422
   89   2H5*    G   9          2H5*        G   9   6.650   5.005  -8.231
   90    H4*    G   9           H4*        G   9   6.272   4.109  -6.007
   91    H3*    G   9           H3*        G   9   6.356   2.421  -8.257
   92    H2*    G   9           H2*        G   9   3.970   1.984  -8.284
   93   2HO*    G   9          2HO*        G   9   4.656  -0.054  -7.984
   94    H1*    G   9           H1*        G   9   4.042   1.989  -5.228
   95    H8     G   9           H8         G   9   1.949   3.155  -8.327
   96    H1     G   9           H1         G   9  -1.440   0.929  -3.374
   97   1H2     G   9          1H2         G   9  -0.133   0.677  -1.615
   98   2H2     G   9          2H2         G   9   1.606   0.809  -1.721
   99   1H5*    C  10          1H5*        C  10   7.553  -1.843  -5.766
  100   2H5*    C  10          2H5*        C  10   6.371  -0.666  -6.377
  101    H4*    C  10           H4*        C  10   7.800   0.287  -3.991
  102    H3*    C  10           H3*        C  10   6.193  -2.303  -3.807
  103    H2*    C  10           H2*        C  10   5.226  -1.473  -1.772
  104   2HO*    C  10          2HO*        C  10   7.580  -0.180  -1.640
  105    H1*    C  10           H1*        C  10   4.772   1.107  -2.618
  106   1H4     C  10          H41         C  10  -0.499  -2.347  -3.721
  107   2H4     C  10          H42         C  10  -0.052  -2.444  -5.411
  108    H5     C  10           H5         C  10   2.041  -1.443  -6.273
  109    H6     C  10           H6         C  10   4.173  -0.445  -5.610
  110   1H5*    A  11          1H5*        A  11   7.716  -0.897   0.348
  111   2H5*    A  11          2H5*        A  11   8.597  -2.362   0.828
  112    H4*    A  11           H4*        A  11   7.132  -1.523   2.638
  113    H3*    A  11           H3*        A  11   6.493  -4.240   1.410
  114    H2*    A  11           H2*        A  11   4.568  -4.414   2.775
  115   2HO*    A  11          2HO*        A  11   6.173  -3.003   4.462
  116    H1*    A  11           H1*        A  11   3.832  -1.714   2.849
  117    H8     A  11           H8         A  11   4.804  -3.478  -0.444
  118   1H6     A  11          H61         A  11  -1.236  -4.725  -1.014
  119   2H6     A  11          H62         A  11   0.308  -4.726  -1.835
  120    H2     A  11           H2         A  11  -0.595  -2.740   2.939
  121   1H5*    C  12          1H5*        C  12   6.061  -4.295   6.062
  122   2H5*    C  12          2H5*        C  12   6.179  -6.030   6.420
  123    H4*    C  12           H4*        C  12   3.982  -4.737   7.010
  124    H3*    C  12           H3*        C  12   3.985  -7.426   5.538
  125    H2*    C  12           H2*        C  12   1.582  -7.322   5.691
  126   2HO*    C  12          2HO*        C  12   2.196  -6.013   7.950
  127    H1*    C  12           H1*        C  12   1.385  -4.553   5.243
  128   1H4     C  12          H41         C  12   0.011  -7.097  -0.431
  129   2H4     C  12          H42         C  12   1.652  -7.664  -0.650
  130    H5     C  12           H5         C  12   3.384  -7.385   1.079
  131    H6     C  12           H6         C  12   3.833  -6.547   3.326
  132   1H5*    C  13          1H5*        C  13   1.268  -7.651   8.674
  133   2H5*    C  13          2H5*        C  13   1.298  -9.229   9.487
  134    H4*    C  13           H4*        C  13  -0.939  -8.738   8.603
  135    H3*    C  13           H3*        C  13   0.565 -10.940   7.114
  136    H2*    C  13           H2*        C  13  -1.379 -11.255   5.787
  137   2HO*    C  13          2HO*        C  13  -2.894  -9.555   7.477
  138    H1*    C  13           H1*        C  13  -2.135  -8.519   5.738
  139   1H4     C  13          H41         C  13   0.432  -9.515  -0.011
  140   2H4     C  13          H42         C  13   1.995  -9.899   0.675
  141    H5     C  13           H5         C  13   2.413  -9.845   3.101
  142    H6     C  13           H6         C  13   1.365  -9.597   5.292
  143    H3T    C  13           H3T        C  13  -1.539 -10.835   9.050