*HEADER    RNA/INHIBITOR                           29-JAN-11   2L94              
*TITLE     STRUCTURE OF THE HIV-1 FRAMESHIFT SITE RNA BOUND TO A SMALL MOLECULE  
*TITLE    2 INHIBITOR OF VIRAL REPLICATION                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA_(45-MER);                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    RNA, INHIBITOR, RNA-INHIBITOR COMPLEX                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    R.J.MARCHESCHI, M.TONELLI, A.KUMAR, S.E.BUTCHER                       
*REVDAT   1   15-JUN-11 2L94    0                                                



{+ file: dna-rna_restraints.def       directory: protocols +}
{+ description: Creates restraints to maintain conformation of DNA/RNA
            

Additions and changes were made to allow for flexibility during docking

Changes include:
+} {+ comment:This file is to be read by refinement files that modify atom coordinates +} {+ authors: Axel T. Brunger, and Paul D. Adams,
modified by Alexandre Bonvin and Marc van Dijk for HADDOCK use +} set message=normal echo=on end {- begin block parameter definition -} define( {=========================================== base-pair planarity ===========================================} {* Use planarity restraints for Watson-Crick base pairing *} {+ choice: true false +} {===>} basepair_planar=true; {============================================== base planarity =============================================} {* Restrain base planarity. This selection must only include nucleotide residues *} {===>} bases_planar=((resid 1:45) and segid A); {=================================== sugar-pucker dihedral angle restraints ================================} {* Pick the dihedral angles of the sugar pucker from the input structure and restrain them within the given error range *} {+ choice: true false +} {===>} dna_pick_pucdih=false; {* residues with sugar pucker restrained - group 1 *} {===>} pucker_1=(none); {* conformation of group 1 *} {+ choice: "a-form" "b-form" "other" +} {===>} form_1="a-form"; {* user defined sugar pucker for group 1 *} {* dihedral C1'-C2'-C3'-C4' *} {===>} dihedral_nu2_1=-34.9; {* dihedral C1'-C2'-C3'-C4' error range *} {===>} error_nu2_1=0.0; {* dihedral C5'-C4'-C3'-C2' *} {===>} dihedral_nu3_1=-86.4; {* dihedral C5'-C4'-C3'-C2' error range *} {===>} error_nu3_1=0.0; {* dihedral C1'-O4'-C4'-C5' *} {===>} dihedral_nu4_1=106.4; {* dihedral C1'-O4'-C4'-C5' error range *} {===>} error_nu4_1=0.0; {* residues with sugar pucker restrained - group 2 *} {===>} pucker_2=(none); {* conformation of group 2 *} {+ choice: "a-form" "b-form" "other" +} {===>} form_2="other"; {* user defined sugar pucker for group 2 *} {* dihedral C1'-C2'-C3'-C4' *} {===>} dihedral_nu2_2=-34.9; {* dihedral C1'-C2'-C3'-C4' error range *} {===>} error_nu2_2=0.0; {* dihedral C5'-C4'-C3'-C2' *} {===>} dihedral_nu3_2=-86.4; {* dihedral C5'-C4'-C3'-C2' error range *} {===>} error_nu3_2=0.0; {* dihedral C1'-O4'-C4'-C5' *} {===>} dihedral_nu4_2=106.4; {* dihedral C1'-O4'-C4'-C5' error range *} {===>} error_nu4_2=0.0; {* residues with sugar pucker restrained - group 3 *} {===>} pucker_3=(none); {* conformation of group 3 *} {+ choice: "a-form" "b-form" "other" +} {===>} form_3="other"; {* user defined sugar pucker for group 3 *} {* dihedral C1'-C2'-C3'-C4' *} {===>} dihedral_nu2_3=-34.9; {* dihedral C1'-C2'-C3'-C4' error range *} {===>} error_nu2_3=10.0; {* dihedral C5'-C4'-C3'-C2' *} {===>} dihedral_nu3_3=-86.4; {* dihedral C5'-C4'-C3'-C2' error range *} {===>} error_nu3_3=10.0; {* dihedral C1'-O4'-C4'-C5' *} {===>} dihedral_nu4_3=106.4; {* dihedral C1'-O4'-C4'-C5' error range *} {===>} error_nu4_3=10.0; {* residues with sugar pucker restrained - group 4 *} {===>} pucker_4=(none); {* conformation of group 4 *} {+ choice: "a-form" "b-form" "other" +} {===>} form_4="other"; {* user defined sugar pucker for group 4 *} {* dihedral C1'-C2'-C3'-C4' *} {===>} dihedral_nu2_4=-34.9; {* dihedral C1'-C2'-C3'-C4' error range *} {===>} error_nu2_4=10.0; {* dihedral C5'-C4'-C3'-C2' *} {===>} dihedral_nu3_4=-86.4; {* dihedral C5'-C4'-C3'-C2' error range *} {===>} error_nu3_4=10.0; {* dihedral C1'-O4'-C4'-C5' *} {===>} dihedral_nu4_4=106.4; {* dihedral C1'-O4'-C4'-C5' error range *} {===>} error_nu4_4=10.0; {================================ phosphate backbone dihedral angle restraints =============================} {* Pick the dihedral angles of the phosphate backbone from the input structure and restrain them within the given error range *} {+ choice: true false +} {===>} dna_pick_bacdih=false; {* residues with phosphate backbone restrained - group 1 *} {===>} dihedral_1=(none); {* conformation of group 1 *} {+ choice: "a-form" "b-form" "other" +} {===>} form_1="a-form"; {* user defined sugar pucker for group 1 *} {* alpha dihedral O3'-P-O5'-C5' *} {===>} dihedral_alpha_1=-62.1; {* alpha dihedral range *} {===>} error_alpha_1=15; {* beta dihedral P-O5'-C5'-C4' *} {===>} dihedral_beta_1=-179.9; {* beta dihedral range *} {===>} error_beta_1=15; {* gamma dihedral O5'-C5'-C4'-C3' *} {===>} dihedral_gamma_1=47.4; {* gamma dihedral range *} {===>} error_gamma_1=15; {* delta dihedral C5'-C4'-C3'-O3' *} {===>} dihedral_delta_1=83.5; {* delta dihedral range *} {===>} error_delta_1=15; {* epsilon dihedral C4'-C3'-O3'-P *} {===>} dihedral_eps_1=-151.7; {* epsilon dihedral range *} {===>} error_eps_1=15; {* zeta dihedral C3'-O3'-P-O5' *} {===>} dihedral_zeta_1=-73.6; {* zeta dihedral range *} {===>} error_zeta_1=15; {* residues with phosphate backbone restrained - group 2 *} {===>} dihedral_2=(none); {* conformation of group 2 *} {+ choice: "a-form" "b-form" "other" +} {===>} form_2="other"; {* user defined sugar pucker for group 2 *} {* alpha dihedral O3'-P-O5'-C5' *} {===>} dihedral_alpha_2=-10.0; {* alpha dihedral range *} {===>} error_alpha_2=10.0; {* beta dihedral P-O5'-C5'-C4' *} {===>} dihedral_beta_2=136.4; {* beta dihedral range *} {===>} error_beta_2=40.0; {* gamma dihedral O5'-C5'-C4'-C3' *} {===>} dihedral_gamma_2=31.1; {* gamma dihedral range *} {===>} error_gamma_2=20.0; {* delta dihedral C5'-C4'-C3'-O3' *} {===>} dihedral_delta_2=-165.0; {* delta dihedral range *} {===>} error_delta_2=50.0; {* epsilon dihedral C4'-C3'-O3'-P *} {===>} dihedral_eps_2=-165.0; {* epsilon dihedral range *} {===>} error_eps_2=10.0; {* zeta dihedral C3'-O3'-P-O5' *} {===>} dihedral_zeta_2=-150.8; {* zeta dihedral range *} {===>} error_zeta_2=50.0; {* residues with phosphate backbone restrained - group 3 *} {===>} dihedral_3=(none); {* conformation of group 3 *} {+ choice: "a-form" "b-form" "other" +} {===>} form_3="other"; {* user defined sugar pucker for group 3 *} {* alpha dihedral O3'-P-O5'-C5' *} {===>} dihedral_alpha_3=-10.0; {* alpha dihedral range *} {===>} error_alpha_3=10.0; {* beta dihedral P-O5'-C5'-C4' *} {===>} dihedral_beta_3=136.4; {* beta dihedral range *} {===>} error_beta_3=40.0; {* gamma dihedral O5'-C5'-C4'-C3' *} {===>} dihedral_gamma_3=31.1; {* gamma dihedral range *} {===>} error_gamma_3=20.0; {* delta dihedral C5'-C4'-C3'-O3' *} {===>} dihedral_delta_3=-165.0; {* delta dihedral range *} {===>} error_delta_3=50.0; {* epsilon dihedral C4'-C3'-O3'-P *} {===>} dihedral_eps_3=-165.0; {* epsilon dihedral range *} {===>} error_eps_3=10.0; {* zeta dihedral C3'-O3'-P-O5' *} {===>} dihedral_zeta_3=-150.8; {* zeta dihedral range *} {===>} error_zeta_3=50.0; {* residues with phosphate backbone restrained - group 4 *} {===>} dihedral_4=(none); {* conformation of group 4 *} {+ choice: "a-form" "b-form" "other" +} {===>} form_4="other"; {* user defined sugar pucker for group 4 *} {* alpha dihedral O3'-P-O5'-C5' *} {===>} dihedral_alpha_4=-10.0; {* alpha dihedral range *} {===>} error_alpha_4=10.0; {* beta dihedral P-O5'-C5'-C4' *} {===>} dihedral_beta_4=136.4; {* beta dihedral range *} {===>} error_beta_4=40.0; {* gamma dihedral O5'-C5'-C4'-C3' *} {===>} dihedral_gamma_4=31.1; {* gamma dihedral range *} {===>} error_gamma_4=20.0; {* delta dihedral C5'-C4'-C3'-O3' *} {===>} dihedral_delta_4=-165.0; {* delta dihedral range *} {===>} error_delta_4=50.0; {* epsilon dihedral C4'-C3'-O3'-P *} {===>} dihedral_eps_4=-165.0; {* epsilon dihedral range *} {===>} error_eps_4=10.0; {* zeta dihedral C3'-O3'-P-O5' *} {===>} dihedral_zeta_4=-150.8; {* zeta dihedral range *} {===>} error_zeta_4=50.0; {============================================= C1'-C1' restraints ==========================================} {* Have the length of the C1'-C1' virtual bonds measured and restraints. *} {+ choice: true false +} {===>} dna_pick_c1=false; {* Error range used for C1'-C1' virtual bonds *} {===>} c1_low=0.05; {===>} c1_up=0.05; {=========================================== Watson-Crick base pairs =======================================} {* pick Watson-Crick restraint values from structure *} {+ choice: true false +} {===>} dna_pick_wc=false; {* error range used for dna_pick_wc defined Watson-Crick restraints *} {===>} wc_low=0.05; {===>} wc_up=0.05; {* for URI, for default much lower range... why?*} {===>} wc_low_uri=0.01; {===>} wc_up_uri=0.01; {* residues which form Watson-Crick pairs *} {* selection for pair 1 base A *} {===>} base_a_1=(resid 1 and segid A); {* selection for pair 1 base B *} {===>} base_b_1=(resid 45 and segid A); {* selection for pair 2 base A *} {===>} base_a_2=(resid 2 and segid A); {* selection for pair 2 base B *} {===>} base_b_2=(resid 44 and segid A); {* selection for pair 3 base A *} {===>} base_a_2=(resid 3 and segid A); {* selection for pair 3 base B *} {===>} base_b_2=(resid 43 and segid A); {* selection for pair 4 base A *} {===>} base_a_4=(resid 4 and segid A); {* selection for pair 4 base B *} {===>} base_b_4=(resid 42 and segid A); {* selection for pair 5 base A *} {===>} base_a_5=(resid 5 and segid A); {* selection for pair 5 base B *} {===>} base_b_5=(resid 41 and segid A); {* selection for pair 6 base A *} {===>} base_a_6=(resid 6 and segid A); {* selection for pair 6 base B *} {===>} base_b_6=(resid 40 and segid A); {* selection for pair 7 base A *} {===>} base_a_7=(resid 7 and segid A); {* selection for pair 7 base B *} {===>} base_b_7=(resid 39 and segid A); {* selection for pair 8 base A *} {===>} base_a_8=(resid 9 and segid A); {* selection for pair 8 base B *} {===>} base_b_8=(resid 34 and segid A); {* selection for pair 9 base A *} {===>} base_a_9=(resid 10 and segid A); {* selection for pair 9 base B *} {===>} base_b_9=(resid 33 and segid A); {* selection for pair 10 base A *} {===>} base_a_10=(resid 11 and segid A); {* selection for pair 10 base B *} {===>} base_b_10=(resid 32 and segid A); {* selection for pair 11 base A *} {===>} base_a_11=(resid 12 and segid A); {* selection for pair 11 base B *} {===>} base_b_11=(resid 31 and segid A); {* selection for pair 12 base A *} {===>} base_a_12=(resid 13 and segid A); {* selection for pair 12 base B *} {===>} base_b_12=(resid 30 and segid A); {* selection for pair 13 base A *} {===>} base_a_13=(resid 14 and segid A); {* selection for pair 13 base B *} {===>} base_b_13=(resid 29 and segid A); {* selection for pair 14 base A *} {===>} base_a_14=(resid 15 and segid A); {* selection for pair 14 base B *} {===>} base_b_14=(resid 28 and segid A); {* selection for pair 15 base A *} {===>} base_a_15=(resid 16 and segid A); {* selection for pair 15 base B *} {===>} base_b_15=(resid 27 and segid A); {* selection for pair 16 base A *} {===>} base_a_16=(resid 17 and segid A); {* selection for pair 16 base B *} {===>} base_b_16=(resid 26 and segid A); {* selection for pair 17 base A *} {===>} base_a_17=(resid 18 and segid A); {* selection for pair 17 base B *} {===>} base_b_17=(resid 25 and segid A); {* selection for pair 18 base A *} {===>} base_a_18=(resid 19 and segid A); {* selection for pair 18 base B *} {===>} base_b_18=(resid 24 and segid A); {* selection for pair 19 base A *} {===>} base_a_19=; {* selection for pair 19 base B *} {===>} base_b_19=; {* selection for pair 20 base A *} {===>} base_a_20=; {* selection for pair 20 base B *} {===>} base_b_20=; {=========================================================================================================} { things below this line do not normally need to be changed - but they have been by rjm } {=========================================================================================================} ) {- end block parameter definition -} {- planarity restraints for DB213 -} {* evaluate ($plweight = 20) !weighting for DB213 planarity restraints plane group selection=((resid 1 and name N21 and segid B) or (resid 1 and name C11 and segid B) or (resid 1 and name N111 and segid B) or (resid 1 and name C1 and segid B) or (resid 1 and name C2 and segid B) or (resid 1 and name C6 and segid B)) weight=$plweight end group selection=((resid 1 and name N24 and segid B) or (resid 1 and name C14 and segid B) or (resid 1 and name N114 and segid B) or (resid 1 and name C4 and segid B) or (resid 1 and name C5 and segid B) or (resid 1 and name C3 and segid B)) weight=$plweight end end *} {- the planarity restraints for Watson-Crick base pairing -} if (&basepair_planar=true) then evaluate ($plweight = 100) !Default = 20, enforce planarity by increasing plweight value. restraints plane group selection=((resid 1 and name N1 and segid A) or (resid 1 and name N3 and segid A) or (resid 1 and name C5 and segid A) or (resid 45 and name N1 and segid A) or (resid 45 and name N3 and segid A) or (resid 45 and name C5 and segid A)) weight=$plweight end group selection=((resid 2 and name N1 and segid A) or (resid 2 and name N3 and segid A) or (resid 2 and name C5 and segid A) or (resid 44 and name N1 and segid A) or (resid 44 and name N3 and segid A) or (resid 44 and name C5 and segid A)) weight=$plweight end group selection=((resid 3 and name N1 and segid A) or (resid 3 and name N3 and segid A) or (resid 3 and name C5 and segid A) or (resid 43 and name N1 and segid A) or (resid 43 and name N3 and segid A) or (resid 43 and name C5 and segid A)) weight=$plweight end group selection=((resid 4 and name N1 and segid A) or (resid 4 and name N3 and segid A) or (resid 4 and name C5 and segid A) or (resid 42 and name N1 and segid A) or (resid 42 and name N3 and segid A) or (resid 42 and name C5 and segid A)) weight=$plweight end group selection=((resid 5 and name N1 and segid A) or (resid 5 and name N3 and segid A) or (resid 5 and name C5 and segid A) or (resid 41 and name N1 and segid A) or (resid 41 and name N3 and segid A) or (resid 41 and name C5 and segid A)) weight=$plweight end group selection=((resid 6 and name N1 and segid A) or (resid 6 and name N3 and segid A) or (resid 6 and name C5 and segid A) or (resid 40 and name N1 and segid A) or (resid 40 and name N3 and segid A) or (resid 40 and name C5 and segid A)) weight=$plweight end group selection=((resid 7 and name N1 and segid A) or (resid 7 and name N3 and segid A) or (resid 7 and name C5 and segid A) or (resid 39 and name N1 and segid A) or (resid 39 and name N3 and segid A) or (resid 39 and name C5 and segid A)) weight=$plweight end group selection=((resid 9 and name N1 and segid A) or (resid 9 and name N3 and segid A) or (resid 9 and name C5 and segid A) or (resid 34 and name N1 and segid A) or (resid 34 and name N3 and segid A) or (resid 34 and name C5 and segid A)) weight=$plweight end group selection=((resid 10 and name N1 and segid A) or (resid 10 and name N3 and segid A) or (resid 10 and name C5 and segid A) or (resid 33 and name N1 and segid A) or (resid 33 and name N3 and segid A) or (resid 33 and name C5 and segid A)) weight=$plweight end group selection=((resid 11 and name N1 and segid A) or (resid 11 and name N3 and segid A) or (resid 11 and name C5 and segid A) or (resid 32 and name N1 and segid A) or (resid 32 and name N3 and segid A) or (resid 32 and name C5 and segid A)) weight=$plweight end group selection=((resid 12 and name N1 and segid A) or (resid 12 and name N3 and segid A) or (resid 12 and name C5 and segid A) or (resid 31 and name N1 and segid A) or (resid 31 and name N3 and segid A) or (resid 31 and name C5 and segid A)) weight=$plweight end group selection=((resid 13 and name N1 and segid A) or (resid 13 and name N3 and segid A) or (resid 13 and name C5 and segid A) or (resid 30 and name N1 and segid A) or (resid 30 and name N3 and segid A) or (resid 30 and name C5 and segid A)) weight=$plweight end group selection=((resid 14 and name N1 and segid A) or (resid 14 and name N3 and segid A) or (resid 14 and name C5 and segid A) or (resid 29 and name N1 and segid A) or (resid 29 and name N3 and segid A) or (resid 29 and name C5 and segid A)) weight=$plweight end group selection=((resid 15 and name N1 and segid A) or (resid 15 and name N3 and segid A) or (resid 15 and name C5 and segid A) or (resid 28 and name N1 and segid A) or (resid 28 and name N3 and segid A) or (resid 28 and name C5 and segid A)) weight=$plweight end group selection=((resid 16 and name N1 and segid A) or (resid 16 and name N3 and segid A) or (resid 16 and name C5 and segid A) or (resid 27 and name N1 and segid A) or (resid 27 and name N3 and segid A) or (resid 27 and name C5 and segid A)) weight=$plweight end group selection=((resid 17 and name N1 and segid A) or (resid 17 and name N3 and segid A) or (resid 17 and name C5 and segid A) or (resid 26 and name N1 and segid A) or (resid 26 and name N3 and segid A) or (resid 26 and name C5 and segid A)) weight=$plweight end group selection=((resid 18 and name N1 and segid A) or (resid 18 and name N3 and segid A) or (resid 18 and name C5 and segid A) or (resid 25 and name N1 and segid A) or (resid 25 and name N3 and segid A) or (resid 25 and name C5 and segid A)) weight=$plweight end group selection=((resid 19 and name N1 and segid A) or (resid 19 and name N3 and segid A) or (resid 19 and name C5 and segid A) or (resid 24 and name N1 and segid A) or (resid 24 and name N3 and segid A) or (resid 24 and name C5 and segid A)) weight=$plweight end {* group selection=((resid 20 and name N1 and segid A) or (resid 20 and name N3 and segid A) or (resid 20 and name C5 and segid A) or (resid 23 and name N1 and segid A) or (resid 23 and name N3 and segid A) or (resid 23 and name C5 and segid A)) weight=$plweight end *} end end if flag include plan end {- the planarity restraints single bases -} for $id in id ( &bases_planar and tag ) loop plan show (segid) (id $id) evaluate ($segid=$result) show (resid) (id $id) evaluate ($resid=decode($result)) evaluate ($plweight = 20) restraints plane group selection=( segid $segid and resid $resid and (resname THY or resname CYT or resname GUA or resname ADE or resname URI) and not (name c#' or name h#' or name h#'' or name o#p or name h7# or name o#' or name p or name h#t or name o#t)) weight=$plweight end end end loop plan flag include plan end {- Dihedral restraints for the sugar pucker -} if (&dna_pick_pucdih=true) then evaluate ($group=1) evaluate ($done=false) while ( $done = false ) loop dihe if ( &exist_pucker_$group = true ) then show sum(1) ( &pucker_$group ) if ( $result > 0 ) then evaluate ($min_resid_$group = 99999) evaluate ($max_resid_$group = -99999) evaluate ($error_nu2=&error_nu2_$group) evaluate ($error_nu3=&error_nu3_$group) evaluate ($error_nu4=&error_nu4_$group) for $id in id ( &pucker_$group and tag ) loop resid show (segid) (id $id) evaluate ($segid=$result) show (resid) ( id $id ) evaluate ($resid=decode($result)) evaluate ($min_resid_$group = max($min_resid_$group,$resid)) evaluate ($max_resid_$group = max($max_resid_$group,$resid)) pick dihedral ( segid $segid and resid $resid and name c1' ) ( segid $segid and resid $resid and name c2' ) ( segid $segid and resid $resid and name c3' ) ( segid $segid and resid $resid and name c4' ) geometry evaluatate ($dihedral_nu2=$result) pick dihedral ( segid $segid and resid $resid and name c5' ) ( segid $segid and resid $resid and name c4' ) ( segid $segid and resid $resid and name c3' ) ( segid $segid and resid $resid and name c2' ) geometry evaluatate ($dihedral_nu3=$result) pick dihedral ( segid $segid and resid $resid and name c1' ) ( segid $segid and resid $resid and name o4' ) ( segid $segid and resid $resid and name c4' ) ( segid $segid and resid $resid and name c5' ) geometry evaluatate ($dihedral_nu4=$result) restraints dihedral assign ( segid $segid and resid $resid and name c1' ) ( segid $segid and resid $resid and name c2' ) ( segid $segid and resid $resid and name c3' ) ( segid $segid and resid $resid and name c4' ) 20.0 $dihedral_nu2 $error_nu2 2 assign ( segid $segid and resid $resid and name c5' ) ( segid $segid and resid $resid and name c4' ) ( segid $segid and resid $resid and name c3' ) ( segid $segid and resid $resid and name c2' ) 20.0 $dihedral_nu3 $error_nu3 2 assign ( segid $segid and resid $resid and name c1' ) ( segid $segid and resid $resid and name o4' ) ( segid $segid and resid $resid and name c4' ) ( segid $segid and resid $resid and name c5' ) 20.0 $dihedral_nu4 $error_nu4 2 scale=20.0 end end loop resid end if else evaluate ($done=true) end if evaluate ($group=$group+1) end loop dihe else evaluate ($group=1) evaluate ($done=false) while ( $done = false ) loop dihe if ( &exist_pucker_$group = true ) then show sum(1) ( &pucker_$group ) if ( $result > 0 ) then if ( &form_$group = "a-form" ) then evaluate ($dihedral_nu2=37.053) evaluate ($dihedral_nu3=-155.59) evaluate ($dihedral_nu4=144.26) elseif ( &form_$group = "b-form" ) then evaluate ($dihedral_nu2=-34.9) evaluate ($dihedral_nu3=-86.4) evaluate ($dihedral_nu4=106.4) elseif ( &form_$group = "other" ) then evaluate ($dihedral_nu2=&dihedral_nu2_$group) evaluate ($dihedral_nu3=&dihedral_nu3_$group) evaluate ($dihedral_nu4=&dihedral_nu4_$group) end if evaluate ($min_resid_$group = 99999) evaluate ($max_resid_$group = -99999) for $id in id ( &pucker_$group and tag ) loop resid show (segid) (id $id) evaluate ($segid=$result) show (resid) ( id $id ) evaluate ($resid=decode($result)) evaluate ($min_resid_$group = max($min_resid_$group,$resid)) evaluate ($max_resid_$group = max($max_resid_$group,$resid)) restraints dihedral assign ( segid $segid and resid $resid and name c1' ) ( segid $segid and resid $resid and name c2' ) ( segid $segid and resid $resid and name c3' ) ( segid $segid and resid $resid and name c4' ) 20.0 $dihedral_nu2 0.0 2 assign ( segid $segid and resid $resid and name c5' ) ( segid $segid and resid $resid and name c4' ) ( segid $segid and resid $resid and name c3' ) ( segid $segid and resid $resid and name c2' ) 20.0 $dihedral_nu3 0.0 2 assign ( segid $segid and resid $resid and name c1' ) ( segid $segid and resid $resid and name o4' ) ( segid $segid and resid $resid and name c4' ) ( segid $segid and resid $resid and name c5' ) 20.0 $dihedral_nu4 0.0 2 scale=20.0 end end loop resid end if else evaluate ($done=true) end if evaluate ($group=$group+1) end loop dihe end if flags include cdih end {- Dihedral restraints for the phosphate backbone -} if (&dna_pick_bacdih=true) then evaluate ($group=1) evaluate ($done=false) while ( $done = false ) loop bdihe if ( &exist_dihedral_$group = true ) then show sum(1) ( &dihedral_$group ) if ( $result > 0 ) then evaluate ($resid=$min_resid_$group) evaluate ($nres=$max_resid_$group - $min_resid_$group + 1) evaluate ($error_alpha=&error_alpha_$group) evaluate ($error_beta=&error_beta_$group) evaluate ($error_gamma=&error_gamma_$group) evaluate ($error_zeta=&error_zeta_$group) evaluate ($error_epsilon=&error_eps_$group) evaluate ($error_delta=&error_delta_$group) for $id in id ( &dihedral_$group and tag ) loop resid show (segid) (id $id) evaluate ($segid=$result) show (resid) ( id $id ) evaluate ($resid=decode($result)) if ($resid > $min_resid_$group) then evaluate ($rprec = $resid - 1) pick dihedral ( segid $segid and resid $rprec and name O3' ) ( segid $segid and resid $resid and name P ) ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) geometry evaluatate ($dihedral_alpha=$result) pick dihedral ( segid $segid and resid $resid and name P ) ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) geometry evaluatate ($dihedral_beta=$result) restraint dihedral ! alpha assign ( segid $segid and resid $rprec and name O3' ) ( segid $segid and resid $resid and name P ) ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) 1.0 $dihedral_alpha $error_alpha 2 ! beta assign ( segid $segid and resid $resid and name P ) ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) 1.0 $dihedral_beta $error_beta 2 scale 200.0 end end if pick dihedral ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) geometry evaluatate ($dihedral_gamma=$result) pick dihedral ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) geometry evaluatate ($dihedral_delta=$result) restraints dihedral ! gamma assign ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) 1.0 $dihedral_gamma $error_gamma 2 ! delta assign ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) 1.0 $dihedral_delta $error_delta 2 scale=200.0 end if ($resid < $max_resid_$group) then evaluate ($rfoll = $resid + 1) pick dihedral ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) ( segid $segid and resid $rfoll and name P ) geometry evaluatate ($dihedral_epsilon=$result) pick dihedral ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) ( segid $segid and resid $rfoll and name P ) ( segid $segid and resid $rfoll and name O5' ) geometry evaluatate ($dihedral_zeta=$result) restraint dihedral ! epsilon assign ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) ( segid $segid and resid $rfoll and name P ) 1.0 $dihedral_epsilon $error_epsilon 2 ! zeta assign ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) ( segid $segid and resid $rfoll and name P ) ( segid $segid and resid $rfoll and name O5' ) 1.0 $dihedral_zeta $error_zeta 2 scale 200.0 end end if end loop resid end if else evaluate ($done=true) end if evaluate ($group=$group+1) end loop bdihe else evaluate ($group=1) evaluate ($done=false) while ( $done = false ) loop bdihe if ( &exist_dihedral_$group = true ) then show sum(1) ( &dihedral_$group ) if ( $result > 0 ) then evaluate ($resid=$min_resid_$group) evaluate ($nres=$max_resid_$group - $min_resid_$group + 1) if ( &form_$group = "a-form" ) then evaluate ($dihedral_alpha=-70) evaluate ($error_alpha=50) evaluate ($dihedral_beta=180) evaluate ($error_beta=50) evaluate ($dihedral_gamma=60) evaluate ($error_gamma=35) evaluate ($dihedral_delta=81) evaluate ($error_delta=20) evaluate ($dihedral_zeta=-85) evaluate ($error_zeta=50) evaluate ($dihedral_epsilon=180) evaluate ($error_epsilon=35) elseif ( &form_$group = "b-form" ) then evaluate ($dihedral_alpha=-63.6) evaluate ($error_alpha=6) evaluate ($dihedral_beta=176) evaluate ($error_beta=7) evaluate ($dihedral_gamma=51.4) evaluate ($error_gamma=7) evaluate ($dihedral_delta=128) evaluate ($error_delta=13s) evaluate ($dihedral_epsilon=-171.7) evaluate ($error_epsilon=3.7) evaluate ($dihedral_zeta=-103.8) evaluate ($error_zeta=10) elseif ( &form_$group = "other" ) then evaluate ($dihedral_alpha=&dihedral_alpha_$group) evaluate ($error_alpha=&error_alpha_$group) evaluate ($dihedral_beta=&dihedral_beta_$group) evaluate ($error_beta=&error_beta_$group) evaluate ($dihedral_gamma=&dihedral_gamma_$group) evaluate ($error_gamma=&error_gamma_$group) evaluate ($dihedral_delta=&dihedral_delta_$group) evaluate ($error_delta=&error_delta_$group) evaluate ($dihedral_zeta=&dihedral_zeta_$group) evaluate ($error_zeta=&error_zeta_$group) evaluate ($dihedral_epsilon=&dihedral_eps_$group) evaluate ($error_epsilon=&error_eps_$group) end if for $id in id ( &dihedral_$group and tag ) loop resid show (segid) (id $id) evaluate ($segid=$result) show (resid) ( id $id ) evaluate ($resid=decode($result)) if ($resid > $min_resid_$group) then evaluate ($rprec = $resid - 1) restraint dihedral ! alpha assign ( segid $segid and resid $rprec and name O3' ) ( segid $segid and resid $resid and name P ) ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) 1.0 $dihedral_alpha $error_alpha 2 ! beta assign ( segid $segid and resid $resid and name P ) ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) 1.0 $dihedral_beta $error_beta 2 scale 200.0 end end if restraints dihedral ! gamma assign ( segid $segid and resid $resid and name O5' ) ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) 1.0 $dihedral_gamma $error_gamma 2 !delta assign ( segid $segid and resid $resid and name C5' ) ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) 1.0 $dihedral_delta $error_delta 2 scale=200.0 end if ($resid < $max_resid_$group) then evaluate ($rfoll = $resid + 1) restraint dihedral ! epsilon assign ( segid $segid and resid $resid and name C4' ) ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) ( segid $segid and resid $rfoll and name P ) 1.0 $dihedral_epsilon $error_epsilon 2 ! zeta assign ( segid $segid and resid $resid and name C3' ) ( segid $segid and resid $resid and name O3' ) ( segid $segid and resid $rfoll and name P ) ( segid $segid and resid $rfoll and name O5' ) 1.0 $dihedral_zeta $error_zeta 2 scale 200.0 end end if end loop resid end if else evaluate ($done=true) end if evaluate ($group=$group+1) end loop bdihe end if flags include cdih end {- C1'-C1' virtual bond length restraints -} noe class hres averaging hres cent potential hres square sqconstant hres 1. sqexponent hres 2 scale hres 70. end if (&dna_pick_c1 = true) then evaluate ($pair=1) evaluate ($done=false) while ( $done = false ) loop noe if ( &exist_base_a_$pair = true ) then if ( &exist_base_b_$pair = true ) then show ( resname ) ( &base_a_$pair and name C1' ) evaluate ($ares=$result) show ( resname ) ( &base_b_$pair and name C1' ) evaluate ($bres=$result) pick bond (&base_a_$pair and name C1') (&base_b_$pair and name C1') geometry evaluate ($c1c1=$result) noe assign (&base_a_$pair and name C1') (&base_b_$pair and name C1') $c1c1 &c1_low &c1_up end end if else evaluate ($done=true) end if evaluate ($pair=$pair+1) end loop noe else end if flags include noe end {- Watson-Crick base pairing -} noe class hres averaging hres cent potential hres square sqconstant hres 1. sqexponent hres 2 scale hres 70. end if (&dna_pick_wc = true) then evaluate ($pair=1) evaluate ($done=false) while ( $done = false ) loop noe if ( &exist_base_a_$pair = true ) then if ( &exist_base_b_$pair = true ) then show ( resname ) ( &base_a_$pair and name C1' ) evaluate ($ares=$result) show ( resname ) ( &base_b_$pair and name C1' ) evaluate ($bres=$result) if ( $ares = THY ) then pick bond (&base_a_$pair and name o4) (&base_b_$pair and name n6) geometry evaluate ($o4n6=$result) pick bond (&base_a_$pair and name n3) (&base_b_$pair and name n1) geometry evaluate ($n3n1=$result) pick bond (&base_a_$pair and name h3) (&base_b_$pair and name n1) geometry evaluate ($h3n1=$result) pick bond (&base_a_$pair and name o2) (&base_b_$pair and name h2) geometry evaluate ($o2h2=$result) pick bond (&base_a_$pair and name o4) (&base_b_$pair and name n1) geometry evaluate ($o4n1=$result) pick bond (&base_a_$pair and name o2) (&base_b_$pair and name n1) geometry evaluate ($o2n1=$result) elseif ( $ares = URI ) then pick bond (&base_a_$pair and name o4) (&base_b_$pair and name n6) geometry evaluate ($o4n6=$result) pick bond (&base_a_$pair and name n3) (&base_b_$pair and name n1) geometry evaluate ($n3n1=$result) pick bond (&base_a_$pair and name o4) (&base_b_$pair and name n1) geometry evaluate ($o4n1=$result) pick bond (&base_a_$pair and name o2) (&base_b_$pair and name n6) geometry evaluate ($o2n6=$result) elseif ( $ares = ADE ) then pick bond (&base_b_$pair and name o4) (&base_a_$pair and name n6) geometry evaluate ($o4n6=$result) pick bond (&base_b_$pair and name n3) (&base_a_$pair and name n1) geometry evaluate ($n3n1=$result) pick bond (&base_b_$pair and name h3) (&base_a_$pair and name n1) geometry evaluate ($h3n1=$result) pick bond (&base_b_$pair and name o2) (&base_a_$pair and name h2) geometry evaluate ($o2h2=$result) pick bond (&base_b_$pair and name o4) (&base_a_$pair and name n1) geometry evaluate ($o4n1=$result) pick bond (&base_b_$pair and name o2) (&base_a_$pair and name n1) geometry evaluate ($o2n1=$result) elseif ( $ares = CYT ) then pick bond (&base_a_$pair and name n3) (&base_b_$pair and name n1) geometry evaluate ($n3n1=$result) pick bond (&base_a_$pair and name n3) (&base_b_$pair and name h1) geometry evaluate ($n3h1=$result) pick bond (&base_a_$pair and name n4) (&base_b_$pair and name o6) geometry evaluate ($n4o6=$result) pick bond (&base_a_$pair and name o2) (&base_b_$pair and name n2) geometry evaluate ($o2h2=$result) pick bond (&base_a_$pair and name n3) (&base_b_$pair and name o6) geometry evaluate ($n3o6=$result) pick bond (&base_a_$pair and name n3) (&base_b_$pair and name n2) geometry evaluate ($n3n2=$result) elseif ( $ares = GUA ) then pick bond (&base_b_$pair and name n3) (&base_a_$pair and name n1) geometry evaluate ($n3n1=$result) pick bond (&base_b_$pair and name n3) (&base_a_$pair and name h1) geometry evaluate ($n3h1=$result) pick bond (&base_b_$pair and name n4) (&base_a_$pair and name o6) geometry evaluate ($n4o6=$result) pick bond (&base_b_$pair and name o2) (&base_a_$pair and name n2) geometry evaluate ($o2n2=$result) pick bond (&base_b_$pair and name n3) (&base_a_$pair and name o6) geometry evaluate ($n3o6=$result) pick bond (&base_b_$pair and name n3) (&base_a_$pair and name n2) geometry evaluate ($n3n2=$result) end if noe if ( $ares = THY ) then assign (&base_a_$pair and name o4) (&base_b_$pair and name n6) $o4n6 &wc_low &wc_up assign (&base_a_$pair and name n3) (&base_b_$pair and name n1) $n3n1 &wc_low &wc_up assign (&base_a_$pair and name h3) (&base_b_$pair and name n1) $h3n1 &wc_low &wc_up assign (&base_a_$pair and name o2) (&base_b_$pair and name h2) $o2h2 &wc_low &wc_up assign (&base_a_$pair and name o4) (&base_b_$pair and name n1) $o4n1 &wc_low &wc_up assign (&base_a_$pair and name o2) (&base_b_$pair and name n1) $o2n1 &wc_low &wc_up elseif ( $ares = URI ) then assign (&base_a_$pair and name o4) (&base_b_$pair and name n6) $o4n6 &wc_low_uri &wc_up_uri assign (&base_a_$pair and name n3) (&base_b_$pair and name n1) $n3n1 &wc_low_uri &wc_up_uri assign (&base_a_$pair and name o4) (&base_b_$pair and name n1) $o4n1 &wc_low_uri &wc_up_uri assign (&base_a_$pair and name o2) (&base_b_$pair and name n6) $o2n6 &wc_low_uri &wc_up_uri elseif ( $ares = ADE ) then assign (&base_b_$pair and name o4) (&base_a_$pair and name n6) $o4n6 &wc_low &wc_up assign (&base_b_$pair and name n3) (&base_a_$pair and name n1) $n3n1 &wc_low &wc_up assign (&base_b_$pair and name h3) (&base_a_$pair and name n1) $h3n1 &wc_low &wc_up assign (&base_b_$pair and name o2) (&base_a_$pair and name h2) $o2h2 &wc_low &wc_up assign (&base_b_$pair and name o4) (&base_a_$pair and name n1) $o4n1 &wc_low &wc_up assign (&base_b_$pair and name o2) (&base_a_$pair and name n1) $o2n1 &wc_low &wc_up elseif ( $ares = CYT ) then assign (&base_a_$pair and name n3) (&base_b_$pair and name n1) $n3n1 &wc_low &wc_up assign (&base_a_$pair and name n3) (&base_b_$pair and name h1) $n3h1 &wc_low &wc_up assign (&base_a_$pair and name n4) (&base_b_$pair and name o6) $n4o6 &wc_low &wc_up assign (&base_a_$pair and name o2) (&base_b_$pair and name n2) $o2n2 &wc_low &wc_up assign (&base_a_$pair and name n3) (&base_b_$pair and name o6) $n3o6 &wc_low &wc_up assign (&base_a_$pair and name n3) (&base_b_$pair and name n2) $n3n2 &wc_low &wc_up elseif ( $ares = GUA ) then assign (&base_b_$pair and name n3) (&base_a_$pair and name n1) $n3n1 &wc_low &wc_up assign (&base_b_$pair and name n3) (&base_a_$pair and name h1) $n3h1 &wc_low &wc_up assign (&base_b_$pair and name n4) (&base_a_$pair and name o6) $n4o6 &wc_low &wc_up assign (&base_b_$pair and name o2) (&base_a_$pair and name n2) $o2n2 &wc_low &wc_up assign (&base_b_$pair and name n3) (&base_a_$pair and name o6) $n3o6 &wc_low &wc_up assign (&base_b_$pair and name n3) (&base_a_$pair and name n2) $n3n2 &wc_low &wc_up end if end end if else evaluate ($done=true) end if evaluate ($pair=$pair+1) end loop noe else evaluate ($pair=1) evaluate ($done=false) while ( $done = false ) loop noe if ( &exist_base_a_$pair = true ) then if ( &exist_base_b_$pair = true ) then show ( resname ) ( &base_a_$pair and name C1' ) evaluate ($ares=$result) show ( resname ) ( &base_b_$pair and name C1' ) evaluate ($bres=$result) noe if ( $ares = THY ) then assign (&base_a_$pair and name o4) (&base_b_$pair and name n6) 2.89 0.2 0.2 assign (&base_a_$pair and name n3) (&base_b_$pair and name n1) 2.92 0.2 0.2 assign (&base_a_$pair and name h3) (&base_b_$pair and name n1) 1.87 0.2 0.2 assign (&base_a_$pair and name o2) (&base_b_$pair and name h2) 2.94 0.2 0.2 assign (&base_a_$pair and name o4) (&base_b_$pair and name n1) 3.69 0.2 0.2 assign (&base_a_$pair and name o2) (&base_b_$pair and name n1) 3.67 0.2 0.2 elseif ( $ares = URI ) then assign (&base_a_$pair and name o4) (&base_b_$pair and name n6) 2.95 0.01 0.01 assign (&base_a_$pair and name n3) (&base_b_$pair and name n1) 2.82 0.01 0.01 assign (&base_a_$pair and name o4) (&base_b_$pair and name n1) 3.63 0.01 0.01 assign (&base_a_$pair and name o2) (&base_b_$pair and name n6) 5.40 0.01 0.01 elseif ( $ares = ADE ) then assign (&base_b_$pair and name o4) (&base_a_$pair and name n6) 2.89 0.2 0.2 assign (&base_b_$pair and name n3) (&base_a_$pair and name n1) 2.92 0.2 0.2 assign (&base_b_$pair and name h3) (&base_a_$pair and name n1) 1.87 0.2 0.2 assign (&base_b_$pair and name o2) (&base_a_$pair and name h2) 2.94 0.2 0.2 assign (&base_b_$pair and name o4) (&base_a_$pair and name n1) 3.69 0.2 0.2 assign (&base_b_$pair and name o2) (&base_a_$pair and name n1) 3.67 0.2 0.2 elseif ( $ares = CYT ) then assign (&base_a_$pair and name n3) (&base_b_$pair and name n1) 2.87 0.2 0.2 assign (&base_a_$pair and name n3) (&base_b_$pair and name h1) 1.86 0.2 0.2 assign (&base_a_$pair and name n4) (&base_b_$pair and name o6) 2.81 0.2 0.2 assign (&base_a_$pair and name o2) (&base_b_$pair and name n2) 2.81 0.2 0.2 assign (&base_a_$pair and name n3) (&base_b_$pair and name o6) 3.58 0.2 0.2 assign (&base_a_$pair and name n3) (&base_b_$pair and name n2) 3.63 0.2 0.2 elseif ( $ares = GUA ) then assign (&base_b_$pair and name n3) (&base_a_$pair and name n1) 2.87 0.2 0.2 assign (&base_b_$pair and name n3) (&base_a_$pair and name h1) 1.86 0.2 0.2 assign (&base_b_$pair and name n4) (&base_a_$pair and name o6) 2.81 0.2 0.2 assign (&base_b_$pair and name o2) (&base_a_$pair and name n2) 2.81 0.2 0.2 assign (&base_b_$pair and name n3) (&base_a_$pair and name o6) 3.58 0.2 0.2 assign (&base_b_$pair and name n3) (&base_a_$pair and name n2) 3.63 0.2 0.2 end if end end if else evaluate ($done=true) end if evaluate ($pair=$pair+1) end loop noe end if flags include noe end set message=off echo=off end !Basepair H-bonds for HIV1_45ccc !Hydrogen bond restraints for Watson-Crick Pairs !---Lower helix---! assign (resid 1 and segid A and name H1) (resid 45 and segid A and name N3) 1.89 0.0 0.0 assign (resid 1 and segid A and name N1) (resid 45 and segid A and name N3) 2.90 0.20 0.20 assign (resid 1 and segid A and name O6) (resid 45 and segid A and name H42) 1.95 0.0 0.0 assign (resid 1 and segid A and name O6) (resid 45 and segid A and name N4) 2.95 0.20 0.20 assign (resid 1 and segid A and name H22) (resid 45 and segid A and name O2) 1.95 0.0 0.0 assign (resid 1 and segid A and name N2) (resid 45 and segid A and name O2) 2.95 0.20 0.20 assign (resid 2 and segid A and name H1) (resid 44 and segid A and name N3) 1.89 0.0 0.0 assign (resid 2 and segid A and name N1) (resid 44 and segid A and name N3) 2.90 0.20 0.20 assign (resid 2 and segid A and name O6) (resid 44 and segid A and name H42) 1.95 0.0 0.0 assign (resid 2 and segid A and name O6) (resid 44 and segid A and name N4) 2.95 0.20 0.20 assign (resid 2 and segid A and name H22) (resid 44 and segid A and name O2) 1.95 0.0 0.0 assign (resid 2 and segid A and name N2) (resid 44 and segid A and name O2) 2.95 0.20 0.20 assign (resid 3 and segid A and name H1) (resid 43 and segid A and name N3) 1.89 0.0 0.0 assign (resid 3 and segid A and name N1) (resid 43 and segid A and name N3) 2.90 0.20 0.20 assign (resid 3 and segid A and name O6) (resid 43 and segid A and name H42) 1.95 0.0 0.0 assign (resid 3 and segid A and name O6) (resid 43 and segid A and name N4) 2.95 0.20 0.20 assign (resid 3 and segid A and name H22) (resid 43 and segid A and name O2) 1.95 0.0 0.0 assign (resid 3 and segid A and name N2) (resid 43 and segid A and name O2) 2.95 0.20 0.20 assign (resid 42 and segid A and name H3) (resid 4 and segid A and name N1) 2.00 0.20 0.20 assign (resid 42 and segid A and name N3) (resid 4 and segid A and name N1) 2.90 0.30 0.30 assign (resid 42 and segid A and name O4) (resid 4 and segid A and name H62) 2.00 0.20 0.20 assign (resid 42 and segid A and name O4) (resid 4 and segid A and name N6) 2.90 0.30 0.30 assign (resid 41 and segid A and name H3) (resid 5 and segid A and name N1) 2.00 0.20 0.20 assign (resid 41 and segid A and name N3) (resid 5 and segid A and name N1) 2.90 0.30 0.30 assign (resid 41 and segid A and name O4) (resid 5 and segid A and name H62) 2.00 0.20 0.20 assign (resid 41 and segid A and name O4) (resid 5 and segid A and name N6) 2.90 0.30 0.30 assign (resid 6 and segid A and name H1) (resid 40 and segid A and name N3) 1.89 0.0 0.0 assign (resid 6 and segid A and name N1) (resid 40 and segid A and name N3) 2.90 0.20 0.20 assign (resid 6 and segid A and name O6) (resid 40 and segid A and name H42) 1.95 0.0 0.0 assign (resid 6 and segid A and name O6) (resid 40 and segid A and name N4) 2.95 0.20 0.20 assign (resid 6 and segid A and name H22) (resid 40 and segid A and name O2) 1.95 0.0 0.0 assign (resid 6 and segid A and name N2) (resid 40 and segid A and name O2) 2.95 0.20 0.20 assign (resid 39 and segid A and name H3) (resid 7 and segid A and name N1) 2.00 0.20 0.20 assign (resid 39 and segid A and name N3) (resid 7 and segid A and name N1) 2.90 0.30 0.30 assign (resid 39 and segid A and name O4) (resid 7 and segid A and name H62) 2.00 0.20 0.20 assign (resid 39 and segid A and name O4) (resid 7 and segid A and name N6) 2.90 0.30 0.30 !---Upper helix---! assign (resid 34 and segid A and name H1) (resid 9 and segid A and name N3) 1.89 0.0 0.0 assign (resid 34 and segid A and name N1) (resid 9 and segid A and name N3) 2.90 0.20 0.20 assign (resid 34 and segid A and name O6) (resid 9 and segid A and name H42) 1.95 0.0 0.0 assign (resid 34 and segid A and name O6) (resid 9 and segid A and name N4) 2.95 0.20 0.20 assign (resid 34 and segid A and name H22) (resid 9 and segid A and name O2) 1.95 0.0 0.0 assign (resid 34 and segid A and name N2) (resid 9 and segid A and name O2) 2.95 0.20 0.20 assign (resid 10 and segid A and name H3) (resid 33 and segid A and name N1) 2.00 0.20 0.20 assign (resid 10 and segid A and name N3) (resid 33 and segid A and name N1) 2.90 0.30 0.30 assign (resid 10 and segid A and name O4) (resid 33 and segid A and name H62) 2.00 0.20 0.20 assign (resid 10 and segid A and name O4) (resid 33 and segid A and name N6) 2.90 0.30 0.30 assign (resid 11 and segid A and name H1) (resid 32 and segid A and name N3) 1.89 0.0 0.0 assign (resid 11 and segid A and name N1) (resid 32 and segid A and name N3) 2.90 0.20 0.20 assign (resid 11 and segid A and name O6) (resid 32 and segid A and name H42) 1.95 0.0 0.0 assign (resid 11 and segid A and name O6) (resid 32 and segid A and name N4) 2.95 0.20 0.20 assign (resid 11 and segid A and name H22) (resid 32 and segid A and name O2) 1.95 0.0 0.0 assign (resid 11 and segid A and name N2) (resid 32 and segid A and name O2) 2.95 0.20 0.20 assign (resid 12 and segid A and name H1) (resid 31 and segid A and name N3) 1.89 0.0 0.0 assign (resid 12 and segid A and name N1) (resid 31 and segid A and name N3) 2.90 0.20 0.20 assign (resid 12 and segid A and name O6) (resid 31 and segid A and name H42) 1.95 0.0 0.0 assign (resid 12 and segid A and name O6) (resid 31 and segid A and name N4) 2.95 0.20 0.20 assign (resid 12 and segid A and name H22) (resid 31 and segid A and name O2) 1.95 0.0 0.0 assign (resid 12 and segid A and name N2) (resid 31 and segid A and name O2) 2.95 0.20 0.20 assign (resid 30 and segid A and name H1) (resid 13 and segid A and name N3) 1.89 0.0 0.0 assign (resid 30 and segid A and name N1) (resid 13 and segid A and name N3) 2.90 0.20 0.20 assign (resid 30 and segid A and name O6) (resid 13 and segid A and name H42) 1.95 0.0 0.0 assign (resid 30 and segid A and name O6) (resid 13 and segid A and name N4) 2.95 0.20 0.20 assign (resid 30 and segid A and name H22) (resid 13 and segid A and name O2) 1.95 0.0 0.0 assign (resid 30 and segid A and name N2) (resid 13 and segid A and name O2) 2.95 0.20 0.20 assign (resid 29 and segid A and name H1) (resid 14 and segid A and name N3) 1.89 0.0 0.0 assign (resid 29 and segid A and name N1) (resid 14 and segid A and name N3) 2.90 0.20 0.20 assign (resid 29 and segid A and name O6) (resid 14 and segid A and name H42) 1.95 0.0 0.0 assign (resid 29 and segid A and name O6) (resid 14 and segid A and name N4) 2.95 0.20 0.20 assign (resid 29 and segid A and name H22) (resid 14 and segid A and name O2) 1.95 0.0 0.0 assign (resid 29 and segid A and name N2) (resid 14 and segid A and name O2) 2.95 0.20 0.20 assign (resid 15 and segid A and name H3) (resid 28 and segid A and name N1) 2.00 0.20 0.20 assign (resid 15 and segid A and name N3) (resid 28 and segid A and name N1) 2.90 0.30 0.30 assign (resid 15 and segid A and name O4) (resid 28 and segid A and name H62) 2.00 0.20 0.20 assign (resid 15 and segid A and name O4) (resid 28 and segid A and name N6) 2.90 0.30 0.30 assign (resid 16 and segid A and name H3) (resid 27 and segid A and name N1) 2.00 0.20 0.20 assign (resid 16 and segid A and name N3) (resid 27 and segid A and name N1) 2.90 0.30 0.30 assign (resid 16 and segid A and name O4) (resid 27 and segid A and name H62) 2.00 0.20 0.20 assign (resid 16 and segid A and name O4) (resid 27 and segid A and name N6) 2.90 0.30 0.30 assign (resid 26 and segid A and name H1) (resid 17 and segid A and name N3) 1.89 0.0 0.0 assign (resid 26 and segid A and name N1) (resid 17 and segid A and name N3) 2.90 0.20 0.20 assign (resid 26 and segid A and name O6) (resid 17 and segid A and name H42) 1.95 0.0 0.0 assign (resid 26 and segid A and name O6) (resid 17 and segid A and name N4) 2.95 0.20 0.20 assign (resid 26 and segid A and name H22) (resid 17 and segid A and name O2) 1.95 0.0 0.0 assign (resid 26 and segid A and name N2) (resid 17 and segid A and name O2) 2.95 0.20 0.20 assign (resid 25 and segid A and name H1) (resid 18 and segid A and name N3) 1.89 0.0 0.0 assign (resid 25 and segid A and name N1) (resid 18 and segid A and name N3) 2.90 0.20 0.20 assign (resid 25 and segid A and name O6) (resid 18 and segid A and name H42) 1.95 0.0 0.0 assign (resid 25 and segid A and name O6) (resid 18 and segid A and name N4) 2.95 0.20 0.20 assign (resid 25 and segid A and name H22) (resid 18 and segid A and name O2) 1.95 0.0 0.0 assign (resid 25 and segid A and name N2) (resid 18 and segid A and name O2) 2.95 0.20 0.20 assign (resid 24 and segid A and name H1) (resid 19 and segid A and name N3) 1.89 0.0 0.0 assign (resid 24 and segid A and name N1) (resid 19 and segid A and name N3) 2.90 0.20 0.20 assign (resid 24 and segid A and name O6) (resid 19 and segid A and name H42) 1.95 0.0 0.0 assign (resid 24 and segid A and name O6) (resid 19 and segid A and name N4) 2.95 0.20 0.20 assign (resid 24 and segid A and name H22) (resid 19 and segid A and name O2) 1.95 0.0 0.0 assign (resid 24 and segid A and name N2) (resid 19 and segid A and name O2) 2.95 0.20 0.20 !assign (resid 23 and segid A and name H61) (resid 20 and segid A and name N3) 1.95 0.20 0.20 !assign (resid 23 and segid A and name N6) (resid 20 and segid A and name N3) 2.90 0.30 0.30!--------------------------------------------------------------------- !Updated 2010/03/19 by rjm !--------------------------------------------------------------------- !--------------------------------------------------------------------- !Distance Restraints !--------------------------------------------------------------------- !weak (3.75-6.25 A) 5.0 1.25 1.25 !medium (3.0-5.0 A) 4.0 1.0 1.0 !strong (2.25-3.75 A) 3.0 0.75 0.75 !very strong (1.8-2.5 A) 2.0 0.2 0.5 !strong ambiguous H5' (2.0-4.25 A) 3.0 1.0 1.25 !medium ambiguous H5' (2.0-5.0 A) 4.0 2.0 1.0 !weak ambiguous H5' (3.0-6.25 A) 5.0 2.0 1.25 !--------------------------------------------------------------------- !HIV1_45ccc RNA (segid A) to DB213 (segid B) NOEs (42 intermolecular) !--------------------------------------------------------------------- assign (resid 8 and name H3' and segid A) (resid 1 and name H+ and segid B) 4.0 1.5 2.5 assign (resid 9 and name H3' and segid A) (resid 1 and name H+ and segid B) 4.0 1.5 2.5 assign (resid 9 and name H4' and segid A) (resid 1 and name H+ and segid B) 4.0 1.5 2.5 assign (resid 9 and name H5 and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.0 assign (resid 9 and name H1' and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.0 assign (resid 9 and name H1' and segid A) (resid 1 and name H4+4 and segid B) 4.0 1.5 2.5 assign (resid 10 and name H5 and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 3.0 1.0 3.0 assign (resid 10 and name H5 and segid A) (resid 1 and name H3+4 and segid B) 3.0 1.0 3.0 assign (resid 10 and name H5 and segid A) (resid 1 and name H4+4 and segid B) 4.0 1.5 2.0 assign (resid 10 and name H1' and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.5 assign (resid 10 and name H1' and segid A) (resid 1 and name H3+4 and segid B) 4.0 1.5 2.5 assign (resid 11 and name H1 and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.0 assign (resid 11 and name H8 and segid A) (resid 1 and name H3+4 and segid B) 4.0 1.5 2.5 assign (resid 11 and name H8 and segid A) (resid 1 and name H4+4 and segid B) 4.0 1.5 2.0 assign (resid 11 and name H8 and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 3.0 1.0 3.0 assign (resid 11 and name H1' and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.5 assign (resid 12 and name H8 and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.5 assign (resid 15 and name H3 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 4.0 1.5 2.0 assign (resid 16 and name H3 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 3.0 1.0 3.0 assign (resid 16 and name H3 and segid A) (resid 1 and name H3+1 and segid B) 3.0 1.0 3.0 assign (resid 16 and name H3 and segid A) (resid 1 and name H4+1 and segid B) 4.0 1.5 2.0 assign (resid 24 and name H1 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 4.0 1.5 2.5 assign (resid 25 and name H1 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 4.0 1.5 2.0 assign (resid 25 and name H8 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 4.0 1.5 2.0 assign (resid 26 and name H3' and segid A) (resid 1 and name H+ and segid B) 4.0 1.5 2.5 assign (resid 26 and name H1 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 4.0 1.5 2.5 assign (resid 26 and name H1 and segid A) (resid 1 and name H3+1 and segid B) 4.0 1.5 2.0 assign (resid 27 and name H8 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 3.0 1.0 3.0 assign (resid 27 and name H8 and segid A) (resid 1 and name H3+1 and segid B) 3.0 1.0 3.0 assign (resid 27 and name H8 and segid A) (resid 1 and name H4+1 and segid B) 4.0 1.5 2.0 assign (resid 28 and name H8 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 3.0 1.0 3.0 assign (resid 28 and name H8 and segid A) (resid 1 and name H3+1 and segid B) 3.0 1.0 3.0 assign (resid 28 and name H8 and segid A) (resid 1 and name H4+1 and segid B) 4.0 1.5 2.0 assign (resid 28 and name H1' and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 4.0 1.5 2.5 assign (resid 29 and name H8 and segid A) (resid 1 and (name H7+1 or name H8+1) and segid B) 4.0 1.5 2.0 assign (resid 29 and name H8 and segid A) (resid 1 and name H3+1 and segid B) 4.0 1.5 2.0 assign (resid 29 and name H8 and segid A) (resid 1 and name H4+1 and segid B) 4.0 1.5 2.5 assign (resid 31 and name H5 and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.0 assign (resid 31 and name H5 and segid A) (resid 1 and name H3+4 and segid B) 4.0 1.5 2.5 assign (resid 34 and name H8 and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.0 assign (resid 34 and name H1' and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.0 assign (resid 35 and name H1' and segid A) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.0 !--------------------------------------------------------------------- !DB213 to DB213 (segid B) NOEs (26 intramolecular) !--------------------------------------------------------------------- assign (resid 1 and name H3+1 and segid B) (resid 1 and name H+ and segid B) 3.0 1.0 3.0 assign (resid 1 and name H3+1 and segid B) (resid 1 and name H1+1 and segid B) 3.0 1.0 3.0 assign (resid 1 and name H3+1 and segid B) (resid 1 and name H4+1 and segid B) 3.0 1.0 3.0 assign (resid 1 and name H3+1 and segid B) (resid 1 and name H5+1 and segid B) 3.0 1.0 3.0 assign (resid 1 and name H3+1 and segid B) (resid 1 and (name H7+1 or name H8+1) and segid B) 4.0 1.5 2.0 assign (resid 1 and name H4+1 and segid B) (resid 1 and name H+ and segid B) 4.0 1.5 2.0 assign (resid 1 and name H4+1 and segid B) (resid 1 and name H1+1 and segid B) 4.0 1.5 2.0 assign (resid 1 and name H4+1 and segid B) (resid 1 and name H5+1 and segid B) 3.0 1.0 3.0 assign (resid 1 and name H4+1 and segid B) (resid 1 and (name H7+1 or name H8+1) and segid B) 3.0 1.0 3.0 assign (resid 1 and name H5+1 and segid B) (resid 1 and name H+ and segid B) 4.0 1.5 2.0 assign (resid 1 and name H5+1 and segid B) (resid 1 and name H1+1 and segid B) 4.0 1.5 2.0 assign (resid 1 and name H5+1 and segid B) (resid 1 and (name H7+1 or name H8+1) and segid B) 3.0 1.0 3.0 assign (resid 1 and (name H7+1 or name H8+1) and segid B) (resid 1 and name H+ and segid B) 4.0 1.5 2.0 assign (resid 1 and name H3+4 and segid B) (resid 1 and name H+ and segid B) 3.0 1.0 3.0 assign (resid 1 and name H3+4 and segid B) (resid 1 and name H1+4 and segid B) 3.0 1.0 3.0 assign (resid 1 and name H3+4 and segid B) (resid 1 and name H4+4 and segid B) 3.0 1.0 3.0 assign (resid 1 and name H3+4 and segid B) (resid 1 and name H5+4 and segid B) 3.0 1.0 3.0 assign (resid 1 and name H3+4 and segid B) (resid 1 and (name H7+4 or name H8+4) and segid B) 4.0 1.5 2.0 assign (resid 1 and name H4+4 and segid B) (resid 1 and name H+ and segid B) 4.0 1.5 2.0 assign (resid 1 and name H4+4 and segid B) (resid 1 and name H1+4 and segid B) 4.0 1.5 2.0 assign (resid 1 and name H4+4 and segid B) (resid 1 and name H5+4 and segid B) 3.0 1.0 3.0 assign (resid 1 and name H4+4 and segid B) (resid 1 and (name H7+4 or name H8+4) and segid B) 3.0 1.0 3.0 assign (resid 1 and name H5+4 and segid B) (resid 1 and name H+ and segid B) 4.0 1.5 2.0 assign (resid 1 and name H5+4 and segid B) (resid 1 and name H1+4 and segid B) 4.0 1.5 2.0 assign (resid 1 and name H5+4 and segid B) (resid 1 and (name H7+4 or name H8+4) and segid B) 3.0 1.0 3.0 assign (resid 1 and (name H7+4 or name H8+4) and segid B) (resid 1 and name H+ and segid B) 4.0 1.5 2.0 !--------------------------------------------------------------------- !RNA-RNA Non-exchangeable NOEs !--------------------------------------------------------------------- !residue 1 intranucleotide assign (resid 1 and name H8 and segid A) (resid 1 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 1 and name H8 and segid A) (resid 1 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 1 and name H1' and segid A) (resid 1 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 1 and name H1' and segid A) (resid 1 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 1 and name H1' and segid A) (resid 1 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 1 and name H1' and segid A) (resid 1 and name H5'* and segid A) 5.0 2.0 1.25 !residue 2 intranucleotide assign (resid 2 and name H8 and segid A) (resid 2 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H8 and segid A) (resid 2 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H8 and segid A) (resid 2 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H8 and segid A) (resid 2 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H1' and segid A) (resid 2 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 2 and name H1' and segid A) (resid 2 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H1' and segid A) (resid 2 and name H4' and segid A) 4.0 1.0 1.0 !residue 2 internucleotide assign (resid 2 and name H8 and segid A) (resid 1 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 2 and name H8 and segid A) (resid 1 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H8 and segid A) (resid 1 and name H2' and segid A) 3.0 1.2 0.75 !s expanded assign (resid 2 and name H1' and segid A) (resid 1 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 2 and name H1' and segid A) (resid 1 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H2' and segid A) (resid 1 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H3' and segid A) (resid 1 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 2 and name H3' and segid A) (resid 1 and name H8 and segid A) 5.0 1.25 1.25 !residue 3 intranucleotide assign (resid 3 and name H8 and segid A) (resid 3 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 3 and name H8 and segid A) (resid 3 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 3 and name H8 and segid A) (resid 3 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 3 and name H8 and segid A) (resid 3 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 3 and name H1' and segid A) (resid 3 and name H2' and segid A) 3.0 0.75 0.75 !residue 3 internucleotide assign (resid 3 and name H8 and segid A) (resid 2 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 3 and name H8 and segid A) (resid 2 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 3 and name H8 and segid A) (resid 2 and name H2' and segid A) 3.0 1.2 0.75 !s expanded assign (resid 3 and name H8 and segid A) (resid 2 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 3 and name H1' and segid A) (resid 2 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 3 and name H1' and segid A) (resid 2 and name H2' and segid A) 4.0 1.0 1.0 !residue 4 intranucleotide assign (resid 4 and name H8 and segid A) (resid 4 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 4 and name H1' and segid A) (resid 4 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 4 and name H8 and segid A) (resid 4 and name H2' and segid A) 4.0 1.0 1.0 !overlap !residue 4 internucleotide assign (resid 4 and name H8 and segid A) (resid 3 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 4 and name H8 and segid A) (resid 3 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 4 and name H8 and segid A) (resid 3 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 4 and name H1' and segid A) (resid 3 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 4 and name H1' and segid A) (resid 3 and name H2' and segid A) 5.0 1.25 1.25 !overlap !residue 5 intranucleotide assign (resid 5 and name H8 and segid A) (resid 5 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 5 and name H1' and segid A) (resid 5 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 5 and name H8 and segid A) (resid 5 and name H2' and segid A) 4.0 1.0 1.0 !overlap !residue 5 internucleotide assign (resid 5 and name H8 and segid A) (resid 4 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 5 and name H8 and segid A) (resid 4 and name H2' and segid A) 2.0 0.2 0.5 !assign (resid 5 and name H8 and segid A) (resid 4 and name H8 and segid A) 5.0 1.25 1.25 !overlap !assign (resid 5 and name H1' and segid A) (resid 4 and name H1' and segid A) 5.0 1.25 1.25 !overlap !assign (resid 5 and name H1' and segid A) (resid 4 and name H2' and segid A) 5.0 1.25 1.25 !overlap !residue 6 intranucleotide assign (resid 6 and name H8 and segid A) (resid 6 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 6 and name H8 and segid A) (resid 6 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 6 and name H1' and segid A) (resid 6 and name H2' and segid A) 3.0 0.75 0.75 !residue 6 internucleotide assign (resid 6 and name H8 and segid A) (resid 5 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 6 and name H8 and segid A) (resid 5 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 6 and name H8 and segid A) (resid 5 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 6 and name H1' and segid A) (resid 5 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 6 and name H1' and segid A) (resid 5 and name H2' and segid A) 4.0 1.0 1.0 !residue 7 intranucleotide assign (resid 7 and name H8 and segid A) (resid 7 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 7 and name H8 and segid A) (resid 7 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 7 and name H8 and segid A) (resid 7 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 7 and name H8 and segid A) (resid 7 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 7 and name H1' and segid A) (resid 7 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 7 and name H1' and segid A) (resid 7 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 7 and name H1' and segid A) (resid 7 and name H4' and segid A) 3.0 0.75 0.75 !residue 7 internucleotide assign (resid 7 and name H8 and segid A) (resid 6 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 7 and name H8 and segid A) (resid 6 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 7 and name H8 and segid A) (resid 6 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 7 and name H1' and segid A) (resid 6 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 7 and name H1' and segid A) (resid 6 and name H2' and segid A) 4.0 1.0 1.0 !residue 8 intranucleotide assign (resid 8 and name H6 and segid A) (resid 8 and name H1' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 8 and name H6 and segid A) (resid 8 and name H2' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 8 and name H6 and segid A) (resid 8 and name H3' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 8 and name H6 and segid A) (resid 8 and name H4' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 8 and name H6 and segid A) (resid 8 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 8 and name H5 and segid A) (resid 8 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 8 and name H5 and segid A) (resid 8 and name H2' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 8 and name H5 and segid A) (resid 8 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 8 and name H1' and segid A) (resid 8 and name H2' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 8 and name H1' and segid A) (resid 8 and name H3' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 8 and name H1' and segid A) (resid 8 and name H4' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 8 and name H1' and segid A) (resid 8 and name H5'* and segid A) 5.0 2.0 1.25 !residue 8 internucleotide assign (resid 8 and name H6 and segid A) (resid 7 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 8 and name H6 and segid A) (resid 7 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 8 and name H6 and segid A) (resid 7 and name H2' and segid A) 3.0 1.2 0.75 !s expanded assign (resid 8 and name H6 and segid A) (resid 7 and name H3' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 8 and name H5 and segid A) (resid 7 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 8 and name H5 and segid A) (resid 7 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 8 and name H5 and segid A) (resid 7 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 8 and name H5 and segid A) (resid 7 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 8 and name H1' and segid A) (resid 7 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 8 and name H1' and segid A) (resid 7 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 8 and name H5'* and segid A) (resid 7 and name H8 and segid A) 5.0 2.0 1.25 !Added in !residue 9 intranucleotide assign (resid 9 and name H6 and segid A) (resid 9 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 9 and name H6 and segid A) (resid 9 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 9 and name H6 and segid A) (resid 9 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 9 and name H6 and segid A) (resid 9 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 9 and name H5 and segid A) (resid 9 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 9 and name H5 and segid A) (resid 9 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 9 and name H1' and segid A) (resid 9 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 9 and name H1' and segid A) (resid 9 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 9 and name H1' and segid A) (resid 9 and name H4' and segid A) 4.0 1.0 1.0 !residue 9 internucleotide assign (resid 9 and name H5 and segid A) (resid 8 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 9 and name H5 and segid A) (resid 8 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 9 and name H5 and segid A) (resid 8 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 9 and name H5 and segid A) (resid 8 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 9 and name H6 and segid A) (resid 8 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 9 and name H6 and segid A) (resid 8 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 9 and name H6 and segid A) (resid 8 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 9 and name H6 and segid A) (resid 8 and name H5 and segid A) 5.0 1.25 1.25 !assign (resid 9 and name H1' and segid A) (resid 8 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 9 and name H6 and segid A) (resid 8 and name H1' and segid A) 4.0 1.0 1.0 !residue 10 intranucleotide assign (resid 10 and name H6 and segid A) (resid 10 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 10 and name H6 and segid A) (resid 10 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 10 and name H6 and segid A) (resid 10 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 10 and name H1' and segid A) (resid 10 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 10 and name H1' and segid A) (resid 10 and name H4' and segid A) 4.0 1.0 1.0 !assign (resid 10 and name H1' and segid A) (resid 10 and name H5 and segid A) 5.0 1.25 1.25 !assign (resid 10 and name H5 and segid A) (resid 10 and name H2' and segid A) 5.0 1.25 1.25 !residue 10 internucleotide assign (resid 10 and name H6 and segid A) (resid 9 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 10 and name H6 and segid A) (resid 9 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 10 and name H6 and segid A) (resid 9 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 10 and name H6 and segid A) (resid 9 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 10 and name H5 and segid A) (resid 9 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 10 and name H5 and segid A) (resid 9 and name H6 and segid A) 4.0 1.0 1.0 assign (resid 10 and name H5 and segid A) (resid 9 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 10 and name H5 and segid A) (resid 9 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 10 and name H1' and segid A) (resid 9 and name H2' and segid A) 4.0 1.0 1.0 !assign (resid 10 and name H1' and segid A) (resid 9 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 10 and name H6 and segid A) (resid 9 and name H6 and segid A) 5.0 1.25 1.25 !residue 11 intranucleotide assign (resid 11 and name H8 and segid A) (resid 11 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 11 and name H8 and segid A) (resid 11 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 11 and name H1' and segid A) (resid 11 and name H2' and segid A) 3.0 0.75 0.75 !residue 11 internucleotide assign (resid 11 and name H8 and segid A) (resid 10 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 11 and name H8 and segid A) (resid 10 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 11 and name H8 and segid A) (resid 10 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 11 and name H1' and segid A) (resid 10 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 11 and name H1' and segid A) (resid 10 and name H2' and segid A) 4.0 1.0 1.0 !residue 12 intranucleotide assign (resid 12 and name H8 and segid A) (resid 12 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 12 and name H8 and segid A) (resid 12 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 12 and name H1' and segid A) (resid 12 and name H2' and segid A) 3.0 0.75 0.75 !residue 12 internucleotide assign (resid 12 and name H8 and segid A) (resid 11 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 12 and name H8 and segid A) (resid 11 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 12 and name H8 and segid A) (resid 11 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 12 and name H1' and segid A) (resid 11 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 12 and name H1' and segid A) (resid 11 and name H1' and segid A) 5.0 1.25 1.25 !residue 13 intranucleotide assign (resid 13 and name H5 and segid A) (resid 13 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 13 and name H6 and segid A) (resid 13 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 13 and name H6 and segid A) (resid 13 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 13 and name H1' and segid A) (resid 13 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 13 and name H5 and segid A) (resid 13 and name H2' and segid A) 4.0 1.0 1.0 !residue 13 internucleotide assign (resid 13 and name H5 and segid A) (resid 12 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 13 and name H5 and segid A) (resid 12 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 13 and name H5 and segid A) (resid 12 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 13 and name H6 and segid A) (resid 12 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 13 and name H6 and segid A) (resid 12 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 13 and name H6 and segid A) (resid 12 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 13 and name H1' and segid A) (resid 12 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 13 and name H1' and segid A) (resid 12 and name H2' and segid A) 4.0 1.0 1.0 !residue 14 intranucleotide assign (resid 14 and name H6 and segid A) (resid 14 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 14 and name H1' and segid A) (resid 14 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 14 and name H5 and segid A) (resid 14 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 14 and name H5 and segid A) (resid 14 and name H2' and segid A) 4.0 1.0 1.0 !assign (resid 14 and name H6 and segid A) (resid 14 and name H2' and segid A) 4.0 1.0 1.0 !residue 14 internucleotide assign (resid 14 and name H6 and segid A) (resid 13 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 14 and name H6 and segid A) (resid 13 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 14 and name H6 and segid A) (resid 13 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 14 and name H6 and segid A) (resid 13 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 14 and name H5 and segid A) (resid 13 and name H5 and segid A) 5.0 1.25 1.25 !assign (resid 14 and name H1' and segid A) (resid 13 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 14 and name H1' and segid A) (resid 13 and name H2' and segid A) 4.0 1.0 1.0 !assign (resid 14 and name H5 and segid A) (resid 13 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 14 and name H5 and segid A) (resid 13 and name H2' and segid A) 4.0 1.0 1.0 !residue 15 intranucleotide assign (resid 15 and name H5 and segid A) (resid 15 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 15 and name H5 and segid A) (resid 15 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 15 and name H6 and segid A) (resid 15 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 15 and name H1' and segid A) (resid 15 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 15 and name H6 and segid A) (resid 15 and name H2' and segid A) 4.0 1.0 1.0 !residue 15 internucleotide assign (resid 15 and name H6 and segid A) (resid 14 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 15 and name H5 and segid A) (resid 14 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 15 and name H5 and segid A) (resid 14 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 15 and name H6 and segid A) (resid 14 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 15 and name H5 and segid A) (resid 14 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 15 and name H5 and segid A) (resid 14 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 15 and name H6 and segid A) (resid 14 and name H6 and segid A) 5.0 1.25 1.25 !assign (resid 15 and name H1' and segid A) (resid 14 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 15 and name H1' and segid A) (resid 14 and name H2' and segid A) 4.0 1.0 1.0 !residue 16 intranucleotide assign (resid 16 and name H5 and segid A) (resid 16 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 16 and name H5 and segid A) (resid 16 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 16 and name H6 and segid A) (resid 16 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 16 and name H1' and segid A) (resid 16 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 16 and name H6 and segid A) (resid 16 and name H2' and segid A) 4.0 1.0 1.0 !residue 16 internucleotide assign (resid 16 and name H5 and segid A) (resid 15 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 16 and name H5 and segid A) (resid 15 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 16 and name H5 and segid A) (resid 15 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 16 and name H5 and segid A) (resid 15 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 16 and name H6 and segid A) (resid 15 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 16 and name H6 and segid A) (resid 15 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 16 and name H6 and segid A) (resid 15 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 16 and name H6 and segid A) (resid 15 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 16 and name H1' and segid A) (resid 15 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 16 and name H1' and segid A) (resid 15 and name H2' and segid A) 4.0 1.0 1.0 !residue 17 intranucleotide assign (resid 17 and name H5 and segid A) (resid 17 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 17 and name H5 and segid A) (resid 17 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 17 and name H6 and segid A) (resid 17 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 17 and name H6 and segid A) (resid 17 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 17 and name H1' and segid A) (resid 17 and name H2' and segid A) 3.0 0.75 0.75 !residue 17 internucleotide assign (resid 17 and name H5 and segid A) (resid 16 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 17 and name H5 and segid A) (resid 16 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 17 and name H6 and segid A) (resid 16 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 17 and name H6 and segid A) (resid 16 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 17 and name H6 and segid A) (resid 16 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 17 and name H6 and segid A) (resid 16 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 17 and name H1' and segid A) (resid 16 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 17 and name H1' and segid A) (resid 16 and name H2' and segid A) 4.0 1.0 1.0 !assign (resid 17 and name H5 and segid A) (resid 16 and name H5 and segid A) 5.0 1.25 1.25 !assign (resid 17 and name H5 and segid A) (resid 16 and name H1' and segid A) 4.0 1.0 1.0 !residue 18 intranucleotide assign (resid 18 and name H5 and segid A) (resid 18 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 18 and name H5 and segid A) (resid 18 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 18 and name H5 and segid A) (resid 18 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 18 and name H5 and segid A) (resid 18 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 18 and name H6 and segid A) (resid 18 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 18 and name H6 and segid A) (resid 18 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 18 and name H1' and segid A) (resid 18 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 18 and name H1' and segid A) (resid 18 and name H3' and segid A) 3.0 0.75 0.75 assign (resid 18 and name H1' and segid A) (resid 18 and name H4' and segid A) 3.0 0.75 0.75 !residue 18 internucleotide assign (resid 18 and name H5 and segid A) (resid 17 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 18 and name H5 and segid A) (resid 17 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 18 and name H5 and segid A) (resid 17 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 18 and name H5 and segid A) (resid 17 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 18 and name H6 and segid A) (resid 17 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 18 and name H6 and segid A) (resid 17 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 18 and name H6 and segid A) (resid 17 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 18 and name H6 and segid A) (resid 17 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 18 and name H1' and segid A) (resid 17 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 18 and name H1' and segid A) (resid 17 and name H2' and segid A) 4.0 1.0 1.0 !residue 19 intranucleotide assign (resid 19 and name H5 and segid A) (resid 19 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 19 and name H5 and segid A) (resid 19 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 19 and name H6 and segid A) (resid 19 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 19 and name H6 and segid A) (resid 19 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 19 and name H1' and segid A) (resid 19 and name H2' and segid A) 3.0 0.75 0.75 !residue 19 internucleotide assign (resid 19 and name H5 and segid A) (resid 18 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 19 and name H5 and segid A) (resid 18 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 19 and name H5 and segid A) (resid 18 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 19 and name H5 and segid A) (resid 18 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 19 and name H5 and segid A) (resid 18 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 19 and name H6 and segid A) (resid 18 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 19 and name H6 and segid A) (resid 18 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 19 and name H6 and segid A) (resid 18 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 19 and name H6 and segid A) (resid 18 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 19 and name H1' and segid A) (resid 18 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 19 and name H1' and segid A) (resid 18 and name H2' and segid A) 4.0 1.0 1.0 !ACAA tetraloop !residue 20 intranucleotide assign (resid 20 and name H8 and segid A) (resid 20 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 20 and name H8 and segid A) (resid 20 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 20 and name H8 and segid A) (resid 20 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 20 and name H8 and segid A) (resid 20 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 20 and name H1' and segid A) (resid 20 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 20 and name H1' and segid A) (resid 20 and name H3' and segid A) 3.0 0.75 0.75 assign (resid 20 and name H1' and segid A) (resid 20 and name H4' and segid A) 3.0 0.75 0.75 !residue 20 internucleotide assign (resid 20 and name H8 and segid A) (resid 18 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 20 and name H8 and segid A) (resid 19 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 20 and name H8 and segid A) (resid 19 and name H2' and segid A) 3.0 1.2 0.75 !s expanded assign (resid 20 and name H8 and segid A) (resid 19 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 20 and name H8 and segid A) (resid 19 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 20 and name H1' and segid A) (resid 19 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 20 and name H1' and segid A) (resid 19 and name H2' and segid A) 4.0 1.0 1.0 !residue 21 intranucleotide assign (resid 21 and name H5 and segid A) (resid 21 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 21 and name H5 and segid A) (resid 21 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 21 and name H5 and segid A) (resid 21 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 21 and name H5 and segid A) (resid 21 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 21 and name H5 and segid A) (resid 21 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 21 and name H6 and segid A) (resid 21 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 21 and name H6 and segid A) (resid 21 and name H2' and segid A) 3.0 1.2 0.75 !s expanded assign (resid 21 and name H6 and segid A) (resid 21 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 21 and name H6 and segid A) (resid 21 and name H4' and segid A) 5.0 2.0 1.25 !expanded range assign (resid 21 and name H6 and segid A) (resid 21 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 21 and name H1' and segid A) (resid 21 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 21 and name H1' and segid A) (resid 21 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 21 and name H1' and segid A) (resid 21 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 21 and name H1' and segid A) (resid 21 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 21 and name H2' and segid A) (resid 21 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 21 and name H3' and segid A) (resid 21 and name H4' and segid A) 4.0 1.75 1.0 !expanded range assign (resid 21 and name H3' and segid A) (resid 21 and name H5'* and segid A) 3.0 1.0 1.25 assign (resid 21 and name H4' and segid A) (resid 21 and name H5'* and segid A) 4.0 2.0 1.0 !residue 21 internucleotide assign (resid 21 and name H5 and segid A) (resid 20 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 21 and name H6 and segid A) (resid 20 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 21 and name H6 and segid A) (resid 20 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 21 and name H6 and segid A) (resid 20 and name H2' and segid A) 3.0 0.75 0.75 !weakened assign (resid 21 and name H6 and segid A) (resid 20 and name H3' and segid A) 3.0 0.75 0.75 assign (resid 21 and name H1' and segid A) (resid 20 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 21 and name H4' and segid A) (resid 20 and name H2' and segid A) 5.0 2.0 1.25 !expanded range assign (resid 21 and name H5'* and segid A) (resid 20 and name H1' and segid A) 5.0 2.0 1.25 assign (resid 21 and name H5'* and segid A) (resid 20 and name H2' and segid A) 5.0 2.0 1.25 !residue 22 intranucleotide assign (resid 22 and name H8 and segid A) (resid 22 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 22 and name H8 and segid A) (resid 22 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 22 and name H8 and segid A) (resid 22 and name H3' and segid A) 5.0 1.25 1.25 !H3' very weak assign (resid 22 and name H8 and segid A) (resid 22 and name H4' and segid A) 5.0 2.0 1.25 !expanded range assign (resid 22 and name H8 and segid A) (resid 22 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 22 and name H1' and segid A) (resid 22 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 22 and name H1' and segid A) (resid 22 and name H3' and segid A) 4.0 1.0 1.0 !H3' too weak assign (resid 22 and name H1' and segid A) (resid 22 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 22 and name H1' and segid A) (resid 22 and name H5'* and segid A) 5.0 2.0 1.25 !residue 22 internucleotide assign (resid 22 and name H8 and segid A) (resid 20 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 22 and name H8 and segid A) (resid 21 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 22 and name H8 and segid A) (resid 21 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 22 and name H8 and segid A) (resid 21 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 22 and name H8 and segid A) (resid 21 and name H3' and segid A) 4.0 2.0 1.0 !expanded range assign (resid 22 and name H8 and segid A) (resid 21 and name H4' and segid A) 5.0 2.0 1.25 !expanded range assign (resid 22 and name H8 and segid A) (resid 21 and name H5'* and segid A) 5.0 2.0 1.25 !expanded range !assign (resid 22 and name H1' and segid A) (resid 21 and name H1' and segid A) 5.0 1.25 1.25 !overlap !assign (resid 22 and name H1' and segid A) (resid 21 and name H2' and segid A) 5.0 2.0 1.25 !removed 031110 assign (resid 22 and name H1' and segid A) (resid 21 and name H3' and segid A) 5.0 2.0 1.25 !expanded range assign (resid 22 and name H1' and segid A) (resid 21 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 22 and name H1' and segid A) (resid 21 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 22 and name H2' and segid A) (resid 21 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 22 and name H2' and segid A) (resid 21 and name H5'* and segid A) 4.0 2.0 1.0 !assign (resid 22 and name H4' and segid A) (resid 21 and name H4' and segid A) 5.0 1.25 1.25 !removed 032410 !assign (resid 22 and name H4' and segid A) (resid 21 and name H5'* and segid A) 3.0 1.0 1.25 !removed 031110 !assign (resid 22 and name H5'* and segid A) (resid 21 and name H6 and segid A) 5.0 2.0 1.25 !removed 031110 assign (resid 22 and name H5'* and segid A) (resid 21 and name H1' and segid A) 5.0 2.0 1.25 assign (resid 22 and name H5'* and segid A) (resid 21 and name H2' and segid A) 5.0 2.0 1.25 assign (resid 22 and name H5'* and segid A) (resid 21 and name H3' and segid A) 5.0 2.0 1.25 assign (resid 22 and name H5'* and segid A) (resid 21 and name H4' and segid A) 5.0 2.0 1.25 !residue 23 intranucleotide assign (resid 23 and name H8 and segid A) (resid 23 and name H1' and segid A) 3.0 0.75 0.75 assign (resid 23 and name H8 and segid A) (resid 23 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 23 and name H8 and segid A) (resid 23 and name H3' and segid A) 3.0 0.75 0.75 assign (resid 23 and name H8 and segid A) (resid 23 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 23 and name H8 and segid A) (resid 23 and name H5'* and segid A) 4.0 2.0 1.0 assign (resid 23 and name H1' and segid A) (resid 23 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 23 and name H1' and segid A) (resid 23 and name H3' and segid A) 4.0 1.75 1.0 !expanded range assign (resid 23 and name H1' and segid A) (resid 23 and name H4' and segid A) 4.0 1.75 1.0 !expanded range assign (resid 23 and name H2' and segid A) (resid 23 and name H3' and segid A) 3.0 0.75 0.75 assign (resid 23 and name H2' and segid A) (resid 23 and name H4' and segid A) 3.0 0.75 0.75 assign (resid 23 and name H2' and segid A) (resid 23 and name H5'* and segid A) 4.0 2.0 1.0 assign (resid 23 and name H3' and segid A) (resid 23 and name H4' and segid A) 3.0 0.75 0.75 assign (resid 23 and name H3' and segid A) (resid 23 and name H5'* and segid A) 4.0 2.0 1.0 !residue 23 internucleotide assign (resid 23 and name H8 and segid A) (resid 22 and name H8 and segid A) 5.0 1.25 1.25 !Added back in assign (resid 23 and name H8 and segid A) (resid 22 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 23 and name H8 and segid A) (resid 22 and name H2' and segid A) 4.0 1.75 1.0 !expanded range assign (resid 23 and name H8 and segid A) (resid 22 and name H3' and segid A) 5.0 1.25 1.25 !expanded range assign (resid 23 and name H8 and segid A) (resid 22 and name H4' and segid A) 5.0 2.0 1.25 !expanded range assign (resid 23 and name H8 and segid A) (resid 22 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 23 and name H1' and segid A) (resid 21 and name H5'* and segid A) 5.0 2.0 1.25 !Added back in assign (resid 23 and name H1' and segid A) (resid 22 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 23 and name H1' and segid A) (resid 22 and name H2' and segid A) 5.0 1.25 1.25 !assign (resid 23 and name H1' and segid A) (resid 22 and name H5'* and segid A) 5.0 2.0 1.25 !removed 032410 assign (resid 23 and name H2' and segid A) (resid 22 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 23 and name H2' and segid A) (resid 22 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 23 and name H3' and segid A) (resid 22 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 23 and name H3' and segid A) (resid 22 and name H2' and segid A) 5.0 1.25 1.25 !end tetraloop !residue 24 intranucleotide assign (resid 24 and name H8 and segid A) (resid 24 and name H1' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 24 and name H8 and segid A) (resid 24 and name H2' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 24 and name H8 and segid A) (resid 24 and name H4' and segid A) 4.0 1.0 1.0 !changed back to H4' assign (resid 24 and name H1' and segid A) (resid 24 and name H2' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 24 and name H1' and segid A) (resid 24 and name H4' and segid A) 5.0 2.0 1.25 !changed back to H4' assign (resid 24 and name H1' and segid A) (resid 24 and name H5'* and segid A) 5.0 2.0 1.25 !residue 24 internucleotide assign (resid 24 and name H8 and segid A) (resid 23 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 24 and name H8 and segid A) (resid 23 and name H1' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 24 and name H8 and segid A) (resid 23 and name H2' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 24 and name H8 and segid A) (resid 23 and name H3' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 24 and name H1' and segid A) (resid 23 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 24 and name H4' and segid A) (resid 23 and name H8 and segid A) 5.0 1.25 1.25 !changed back to H4' assign (resid 24 and name H4' and segid A) (resid 23 and name H1' and segid A) 5.0 1.25 1.25 !changed back to H4' assign (resid 24 and name H4' and segid A) (resid 23 and name H2' and segid A) 4.0 1.0 1.0 !changed back to H4' assign (resid 24 and name H4' and segid A) (resid 23 and name H3' and segid A) 5.0 1.25 1.25 !changed back to H4' assign (resid 24 and name H5'* and segid A) (resid 23 and name H8 and segid A) 5.0 2.0 1.25 assign (resid 24 and name H5'* and segid A) (resid 23 and name H1' and segid A) 5.0 2.0 1.25 assign (resid 24 and name H5'* and segid A) (resid 23 and name H2' and segid A) 4.0 2.0 1.0 assign (resid 24 and name H5'* and segid A) (resid 23 and name H3' and segid A) 4.0 2.0 1.0 !assign (resid 24 and name H1' and segid A) (resid 23 and name H1' and segid A) 5.0 1.25 1.25 !residue 25 intranucleotide assign (resid 25 and name H8 and segid A) (resid 25 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 25 and name H8 and segid A) (resid 25 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 25 and name H8 and segid A) (resid 25 and name H3' and segid A) 3.0 0.75 0.75 assign (resid 25 and name H8 and segid A) (resid 25 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 25 and name H8 and segid A) (resid 25 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 25 and name H1' and segid A) (resid 25 and name H2' and segid A) 3.0 0.75 0.75 !residue 25 internucleotide assign (resid 25 and name H8 and segid A) (resid 24 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 25 and name H8 and segid A) (resid 24 and name H1' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 25 and name H8 and segid A) (resid 24 and name H2' and segid A) 2.0 0.2 0.5 !possibly dynamic assign (resid 25 and name H1' and segid A) (resid 24 and name H2' and segid A) 4.0 1.0 1.0 !assign (resid 25 and name H1' and segid A) (resid 24 and name H1' and segid A) 5.0 1.25 1.25 !not there !residue 26 intranucleotide assign (resid 26 and name H8 and segid A) (resid 26 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 26 and name H8 and segid A) (resid 26 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 26 and name H1' and segid A) (resid 26 and name H2' and segid A) 3.0 0.75 0.75 !residue 26 internucleotide assign (resid 26 and name H8 and segid A) (resid 25 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 26 and name H8 and segid A) (resid 25 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 26 and name H8 and segid A) (resid 25 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 26 and name H1' and segid A) (resid 25 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 26 and name H1' and segid A) (resid 25 and name H2' and segid A) 4.0 1.0 1.0 !residue 27 intranucleotide assign (resid 27 and name H8 and segid A) (resid 27 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 27 and name H1' and segid A) (resid 27 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 27 and name H8 and segid A) (resid 27 and name H2' and segid A) 4.0 1.0 1.0 !residue 27 internucleotide assign (resid 27 and name H8 and segid A) (resid 26 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 27 and name H8 and segid A) (resid 26 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 27 and name H8 and segid A) (resid 26 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 27 and name H1' and segid A) (resid 26 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 27 and name H1' and segid A) (resid 26 and name H2' and segid A) 4.0 1.0 1.0 !residue 28 intranucleotide assign (resid 28 and name H8 and segid A) (resid 28 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 28 and name H1' and segid A) (resid 28 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 28 and name H8 and segid A) (resid 28 and name H2' and segid A) 4.0 1.0 1.0 !residue 28 internucleotide assign (resid 28 and name H8 and segid A) (resid 27 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 28 and name H8 and segid A) (resid 27 and name H2' and segid A) 2.0 0.2 0.5 !assign (resid 28 and name H1' and segid A) (resid 27 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 28 and name H1' and segid A) (resid 27 and name H2' and segid A) 4.0 1.0 1.0 !assign (resid 28 and name H8 and segid A) (resid 27 and name H8 and segid A) 5.0 1.25 1.25 !residue 29 intranucleotide assign (resid 29 and name H8 and segid A) (resid 29 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 29 and name H8 and segid A) (resid 29 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 29 and name H8 and segid A) (resid 29 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 29 and name H8 and segid A) (resid 29 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 29 and name H8 and segid A) (resid 29 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 29 and name H1' and segid A) (resid 29 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 29 and name H1' and segid A) (resid 29 and name H3' and segid A) 3.0 0.75 0.75 assign (resid 29 and name H1' and segid A) (resid 29 and name H4' and segid A) 3.0 0.75 0.75 !residue 29 internucleotide assign (resid 29 and name H8 and segid A) (resid 28 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 29 and name H8 and segid A) (resid 28 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 29 and name H8 and segid A) (resid 28 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 29 and name H8 and segid A) (resid 28 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 29 and name H8 and segid A) (resid 28 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 29 and name H1' and segid A) (resid 28 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 29 and name H1' and segid A) (resid 28 and name H2' and segid A) 4.0 1.0 1.0 !residue 30 intranucleotide assign (resid 30 and name H8 and segid A) (resid 30 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 30 and name H8 and segid A) (resid 30 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 30 and name H8 and segid A) (resid 30 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 30 and name H8 and segid A) (resid 30 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 30 and name H8 and segid A) (resid 30 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 30 and name H1' and segid A) (resid 30 and name H2' and segid A) 3.0 0.75 0.75 !residue 30 internucleotide assign (resid 30 and name H8 and segid A) (resid 29 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 30 and name H8 and segid A) (resid 29 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 30 and name H8 and segid A) (resid 29 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 30 and name H8 and segid A) (resid 29 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 30 and name H1' and segid A) (resid 29 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 30 and name H1' and segid A) (resid 29 and name H2' and segid A) 4.0 1.0 1.0 !residue 31 intranucleotide assign (resid 31 and name H5 and segid A) (resid 31 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 31 and name H6 and segid A) (resid 31 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 31 and name H1' and segid A) (resid 31 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 31 and name H5 and segid A) (resid 31 and name H2' and segid A) 5.0 1.25 1.25 !assign (resid 31 and name H6 and segid A) (resid 31 and name H2' and segid A) 4.0 1.0 1.0 !residue 31 internucleotide assign (resid 31 and name H5 and segid A) (resid 30 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 31 and name H5 and segid A) (resid 30 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 31 and name H5 and segid A) (resid 30 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 31 and name H6 and segid A) (resid 30 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 31 and name H6 and segid A) (resid 30 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 31 and name H6 and segid A) (resid 30 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 31 and name H1' and segid A) (resid 30 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 31 and name H1' and segid A) (resid 30 and name H2' and segid A) 4.0 1.0 1.0 !residue 32 intranucleotide assign (resid 32 and name H5 and segid A) (resid 32 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 32 and name H6 and segid A) (resid 32 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 32 and name H1' and segid A) (resid 32 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 32 and name H1' and segid A) (resid 32 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 32 and name H1' and segid A) (resid 32 and name H4' and segid A) 4.0 1.0 1.0 !assign (resid 32 and name H5 and segid A) (resid 32 and name H2' and segid A) 5.0 1.25 1.25 !assign (resid 32 and name H6 and segid A) (resid 32 and name H2' and segid A) 4.0 1.0 1.0 !residue 32 internucleotide assign (resid 32 and name H5 and segid A) (resid 31 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 32 and name H6 and segid A) (resid 31 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 32 and name H6 and segid A) (resid 31 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 32 and name H6 and segid A) (resid 31 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 32 and name H6 and segid A) (resid 31 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 32 and name H1' and segid A) (resid 31 and name H2' and segid A) 4.0 1.0 1.0 !assign (resid 32 and name H5 and segid A) (resid 31 and name H1' and segid A) 4.0 1.0 1.0 !assign (resid 32 and name H5 and segid A) (resid 31 and name H2' and segid A) 4.0 1.0 1.0 !assign (resid 32 and name H1' and segid A) (resid 31 and name H1' and segid A) 5.0 1.25 1.25 !residue 33 intranucleotide assign (resid 33 and name H8 and segid A) (resid 33 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 33 and name H8 and segid A) (resid 33 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 33 and name H8 and segid A) (resid 33 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 33 and name H8 and segid A) (resid 33 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 33 and name H1' and segid A) (resid 33 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 33 and name H1' and segid A) (resid 33 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 33 and name H1' and segid A) (resid 33 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 33 and name H1' and segid A) (resid 33 and name H5'* and segid A) 5.0 2.0 1.25 !residue 33 internucleotide assign (resid 33 and name H8 and segid A) (resid 32 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 33 and name H8 and segid A) (resid 32 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 33 and name H8 and segid A) (resid 32 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 33 and name H8 and segid A) (resid 32 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 33 and name H8 and segid A) (resid 32 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 33 and name H8 and segid A) (resid 32 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 33 and name H1' and segid A) (resid 32 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 33 and name H1' and segid A) (resid 32 and name H2' and segid A) 5.0 1.25 1.25 !residue 34 intranucleotide assign (resid 34 and name H8 and segid A) (resid 34 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 34 and name H8 and segid A) (resid 34 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 34 and name H8 and segid A) (resid 34 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 34 and name H8 and segid A) (resid 34 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 34 and name H1' and segid A) (resid 34 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 34 and name H1' and segid A) (resid 34 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 34 and name H1' and segid A) (resid 34 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 34 and name H1' and segid A) (resid 34 and name H5'* and segid A) 5.0 2.0 1.25 !residue 34 internucleotide assign (resid 34 and name H8 and segid A) (resid 33 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 34 and name H8 and segid A) (resid 33 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 34 and name H8 and segid A) (resid 33 and name H2' and segid A) 3.0 1.2 0.75 !overlapped - expand lower range assign (resid 34 and name H1' and segid A) (resid 33 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 34 and name H1' and segid A) (resid 33 and name H2' and segid A) 5.0 1.25 1.25 !---start bulge---! !residue 35 intranucleotide assign (resid 35 and name H8 and segid A) (resid 35 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 35 and name H8 and segid A) (resid 35 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 35 and name H8 and segid A) (resid 35 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 35 and name H1' and segid A) (resid 35 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 35 and name H1' and segid A) (resid 35 and name H3' and segid A) 4.0 1.0 1.0 !residue 35 internucleotide assign (resid 35 and name H8 and segid A) (resid 34 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 35 and name H8 and segid A) (resid 34 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 35 and name H8 and segid A) (resid 34 and name H2' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 35 and name H8 and segid A) (resid 34 and name H3' and segid A) 5.0 1.25 1.25 !assign (resid 35 and name H1' and segid A) (resid 34 and name H1' and segid A) 5.0 1.25 1.25 !overlap with diagonal !assign (resid 35 and name H1' and segid A) (resid 34 and name H2' and segid A) 4.0 1.0 1.0 !overlap !residue 36 intranucleotide assign (resid 36 and name H8 and segid A) (resid 36 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 36 and name H8 and segid A) (resid 36 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 36 and name H8 and segid A) (resid 36 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 36 and name H8 and segid A) (resid 36 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 36 and name H8 and segid A) (resid 36 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 36 and name H1' and segid A) (resid 36 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 36 and name H1' and segid A) (resid 36 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 36 and name H1' and segid A) (resid 36 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 36 and name H1' and segid A) (resid 36 and name H5'* and segid A) 5.0 2.0 1.25 !residue 36 internucleotide assign (resid 36 and name H8 and segid A) (resid 35 and name H1' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 36 and name H8 and segid A) (resid 35 and name H2' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 36 and name H8 and segid A) (resid 35 and name H3' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 36 and name H8 and segid A) (resid 35 and name H5'* and segid A) 5.0 2.0 1.25 !possibly dynamic !assign (resid 36 and name H8 and segid A) (resid 35 and name H8 and segid A) 5.0 1.25 1.25 !not there !assign (resid 36 and name H1' and segid A) (resid 35 and name H1' and segid A) 5.0 1.25 1.25 !overlap !assign (resid 36 and name H1' and segid A) (resid 35 and name H2' and segid A) 4.0 1.0 1.0 !overlap !residue 37 intranucleotide assign (resid 37 and name H8 and segid A) (resid 37 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 37 and name H8 and segid A) (resid 37 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 37 and name H8 and segid A) (resid 37 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 37 and name H8 and segid A) (resid 37 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 37 and name H8 and segid A) (resid 37 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 37 and name H1' and segid A) (resid 37 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 37 and name H1' and segid A) (resid 37 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 37 and name H1' and segid A) (resid 37 and name H4' and segid A) 4.0 1.0 1.0 !residue 37 internucleotide assign (resid 37 and name H8 and segid A) (resid 35 and name H1' and segid A) 5.0 1.25 1.25 !very weak... assign (resid 37 and name H8 and segid A) (resid 36 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 37 and name H8 and segid A) (resid 36 and name H1' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 37 and name H8 and segid A) (resid 36 and name H2' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 37 and name H8 and segid A) (resid 36 and name H3' and segid A) 4.0 1.0 1.0 !possibly dynamic assign (resid 37 and name H8 and segid A) (resid 36 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 37 and name H1' and segid A) (resid 36 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 37 and name H1' and segid A) (resid 36 and name H2' and segid A) 5.0 1.25 1.25 !possibly dynamic !---end bulge---! !residue 38 intranucleotide assign (resid 38 and name H8 and segid A) (resid 38 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 38 and name H8 and segid A) (resid 38 and name H2' and segid A) 3.0 0.75 0.75 !made stronger assign (resid 38 and name H8 and segid A) (resid 38 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H8 and segid A) (resid 38 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H8 and segid A) (resid 38 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 38 and name H1' and segid A) (resid 38 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 38 and name H1' and segid A) (resid 38 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 38 and name H1' and segid A) (resid 38 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 38 and name H1' and segid A) (resid 38 and name H5'* and segid A) 5.0 2.0 1.25 !residue 38 internucleotide assign (resid 38 and name H8 and segid A) (resid 36 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H8 and segid A) (resid 37 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 38 and name H8 and segid A) (resid 37 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H8 and segid A) (resid 37 and name H2' and segid A) 5.0 1.25 1.25 !possibly dynamic assign (resid 38 and name H8 and segid A) (resid 37 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H1' and segid A) (resid 37 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H1' and segid A) (resid 37 and name H2' and segid A) 4.0 1.0 1.0 !residue 39 intranucleotide assign (resid 39 and name H5 and segid A) (resid 39 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 39 and name H5 and segid A) (resid 39 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 39 and name H5 and segid A) (resid 39 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 39 and name H5 and segid A) (resid 39 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 39 and name H6 and segid A) (resid 39 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 39 and name H6 and segid A) (resid 39 and name H3' and segid A) 4.0 1.0 1.0 assign (resid 39 and name H6 and segid A) (resid 39 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 39 and name H6 and segid A) (resid 39 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 39 and name H1' and segid A) (resid 39 and name H2' and segid A) 3.0 0.75 0.75 assign (resid 39 and name H1' and segid A) (resid 39 and name H3' and segid A) 3.0 0.75 0.75 assign (resid 39 and name H1' and segid A) (resid 39 and name H4' and segid A) 4.0 1.0 1.0 assign (resid 39 and name H1' and segid A) (resid 39 and name H5'* and segid A) 5.0 2.0 1.25 !assign (resid 39 and name H6 and segid A) (resid 39 and name H2' and segid A) 4.0 1.0 1.0 !residue 39 internucleotide assign (resid 39 and name H5 and segid A) (resid 38 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 39 and name H5 and segid A) (resid 38 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 39 and name H5 and segid A) (resid 38 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 39 and name H5 and segid A) (resid 38 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 39 and name H6 and segid A) (resid 38 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 39 and name H6 and segid A) (resid 38 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 39 and name H6 and segid A) (resid 38 and name H2' and segid A) 3.0 0.75 0.75 !overlap assign (resid 39 and name H6 and segid A) (resid 38 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 39 and name H1' and segid A) (resid 38 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 39 and name H1' and segid A) (resid 38 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 39 and name H1' and segid A) (resid 38 and name H3' and segid A) 5.0 1.25 1.25 !residue 40 intranucleotide assign (resid 40 and name H5 and segid A) (resid 40 and name H1' and segid A) 5.0 1.25 1.25 !overlap assign (resid 40 and name H6 and segid A) (resid 40 and name H1' and segid A) 4.0 1.0 1.0 !overlap assign (resid 40 and name H6 and segid A) (resid 40 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 40 and name H1' and segid A) (resid 40 and name H2' and segid A) 3.0 0.75 0.75 !residue 40 internucleotide assign (resid 40 and name H5 and segid A) (resid 39 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 40 and name H5 and segid A) (resid 39 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 40 and name H5 and segid A) (resid 39 and name H1' and segid A) 4.0 1.0 1.0 !overlap assign (resid 40 and name H5 and segid A) (resid 39 and name H2' and segid A) 3.0 0.75 0.75 !overlap assign (resid 40 and name H6 and segid A) (resid 39 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 40 and name H6 and segid A) (resid 39 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 40 and name H6 and segid A) (resid 39 and name H1' and segid A) 4.0 1.0 1.0 !overlap assign (resid 40 and name H6 and segid A) (resid 39 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 40 and name H1' and segid A) (resid 39 and name H2' and segid A) 4.0 1.0 1.0 !overlap !assign (resid 40 and name H1' and segid A) (resid 39 and name H1' and segid A) 5.0 1.25 1.25 !residue 41 intranucleotide assign (resid 41 and name H5 and segid A) (resid 41 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 41 and name H6 and segid A) (resid 41 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 41 and name H1' and segid A) (resid 41 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 41 and name H6 and segid A) (resid 41 and name H2' and segid A) 4.0 1.0 1.0 !residue 41 internucleotide assign (resid 41 and name H5 and segid A) (resid 40 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 41 and name H5 and segid A) (resid 40 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 41 and name H5 and segid A) (resid 40 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 41 and name H6 and segid A) (resid 40 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 41 and name H6 and segid A) (resid 40 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 41 and name H1' and segid A) (resid 40 and name H1' and segid A) 4.0 1.0 1.0 !assign (resid 41 and name H6 and segid A) (resid 40 and name H6 and segid A) 5.0 1.25 1.25 !assign (resid 41 and name H1' and segid A) (resid 40 and name H2' and segid A) 4.0 1.0 1.0 !residue 42 intranucleotide assign (resid 42 and name H5 and segid A) (resid 42 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 42 and name H6 and segid A) (resid 42 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 42 and name H6 and segid A) (resid 42 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 42 and name H1' and segid A) (resid 42 and name H2' and segid A) 3.0 0.75 0.75 !residue 42 internucleotide assign (resid 42 and name H5 and segid A) (resid 41 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 42 and name H5 and segid A) (resid 41 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 42 and name H5 and segid A) (resid 41 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 42 and name H6 and segid A) (resid 41 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 42 and name H6 and segid A) (resid 41 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 42 and name H6 and segid A) (resid 41 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 42 and name H6 and segid A) (resid 41 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 42 and name H1' and segid A) (resid 41 and name H1' and segid A) 4.0 1.0 1.0 !assign (resid 42 and name H1' and segid A) (resid 41 and name H2' and segid A) 4.0 1.0 1.0 !residue 43 intranucleotide assign (resid 43 and name H5 and segid A) (resid 43 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 43 and name H5 and segid A) (resid 43 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 43 and name H6 and segid A) (resid 43 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 43 and name H6 and segid A) (resid 43 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 43 and name H1' and segid A) (resid 43 and name H2' and segid A) 3.0 0.75 0.75 !residue 43 internucleotide assign (resid 43 and name H5 and segid A) (resid 42 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 43 and name H5 and segid A) (resid 42 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 43 and name H5 and segid A) (resid 42 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 43 and name H6 and segid A) (resid 42 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 43 and name H6 and segid A) (resid 42 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 43 and name H6 and segid A) (resid 42 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 43 and name H6 and segid A) (resid 42 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 43 and name H1' and segid A) (resid 42 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 43 and name H5 and segid A) (resid 42 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 43 and name H1' and segid A) (resid 42 and name H2' and segid A) 4.0 1.0 1.0 !residue 44 intranucleotide assign (resid 44 and name H6 and segid A) (resid 44 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 44 and name H6 and segid A) (resid 44 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 44 and name H1' and segid A) (resid 44 and name H2' and segid A) 3.0 0.75 0.75 !assign (resid 44 and name H5 and segid A) (resid 44 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 44 and name H5 and segid A) (resid 44 and name H2' and segid A) 5.0 1.25 1.25 !residue 44 internucleotide assign (resid 44 and name H5 and segid A) (resid 43 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 44 and name H5 and segid A) (resid 43 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 44 and name H5 and segid A) (resid 43 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 44 and name H6 and segid A) (resid 43 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 44 and name H6 and segid A) (resid 43 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 44 and name H6 and segid A) (resid 43 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 44 and name H6 and segid A) (resid 43 and name H2' and segid A) 2.0 0.2 0.5 assign (resid 44 and name H1' and segid A) (resid 43 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 44 and name H1' and segid A) (resid 43 and name H2' and segid A) 4.0 1.0 1.0 !residue 45 intranucleotide assign (resid 45 and name H5 and segid A) (resid 45 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 45 and name H5 and segid A) (resid 45 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 45 and name H6 and segid A) (resid 45 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 45 and name H6 and segid A) (resid 45 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 45 and name H1' and segid A) (resid 45 and name H2' and segid A) 3.0 0.75 0.75 !residue 45 internucleotide assign (resid 45 and name H5 and segid A) (resid 44 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 45 and name H5 and segid A) (resid 44 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 45 and name H6 and segid A) (resid 44 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 45 and name H6 and segid A) (resid 44 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 45 and name H6 and segid A) (resid 44 and name H2' and segid A) 3.0 1.2 0.75 !s expanded assign (resid 45 and name H1' and segid A) (resid 44 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 45 and name H1' and segid A) (resid 44 and name H2' and segid A) 5.0 1.25 1.25 !assign (resid 45 and name H5 and segid A) (resid 44 and name H5 and segid A) 5.0 1.25 1.25 !assign (resid 45 and name H5 and segid A) (resid 44 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 45 and name H6 and segid A) (resid 44 and name H5 and segid A) 5.0 1.25 1.25 !-------------------------------------------------------------------------------- !RNA-RNA AH2 NOEs (Non-exchangable) !-------------------------------------------------------------------------------- !residue 4 assign (resid 4 and name H2 and segid A) (resid 4 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 4 and name H2 and segid A) (resid 5 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 4 and name H2 and segid A) (resid 43 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 4 and name H2 and segid A) (resid 42 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 4 and name H2 and segid A) (resid 5 and name H8 and segid A) 4.0 1.0 1.0 assign (resid 4 and name H2 and segid A) (resid 5 and name H2 and segid A) 4.0 1.0 1.0 !residue 5 assign (resid 5 and name H2 and segid A) (resid 5 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 5 and name H2 and segid A) (resid 6 and name H1' and segid A) 3.0 0.75 0.75 assign (resid 5 and name H2 and segid A) (resid 42 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 5 and name H2 and segid A) (resid 6 and name H8 and segid A) 5.0 1.25 1.25 !residue 7 assign (resid 7 and name H2 and segid A) (resid 7 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 7 and name H2 and segid A) (resid 8 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 7 and name H2 and segid A) (resid 38 and name H2 and segid A) 4.0 1.0 1.0 !residue 20 assign (resid 20 and name H2 and segid A) (resid 20 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 20 and name H2 and segid A) (resid 21 and name H1' and segid A) 5.0 1.25 1.25 !assign (resid 20 and name H2 and segid A) (resid 21 and name H2' and segid A) 4.0 1.0 1.0 !removed assign (resid 20 and name H2 and segid A) (resid 22 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 20 and name H2 and segid A) (resid 23 and name H8 and segid A) 5.0 1.25 1.25 !residue 22 !assign (resid 22 and name H2 and segid A) (resid 20 and name H2' and segid A) 5.0 1.25 1.25 !removed 031910 assign (resid 22 and name H2 and segid A) (resid 21 and name H4' and segid A) 5.0 1.25 1.25 !Added back in assign (resid 22 and name H2 and segid A) (resid 21 and name H5'* and segid A) 5.0 2.0 1.25 assign (resid 22 and name H2 and segid A) (resid 22 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 22 and name H2 and segid A) (resid 22 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 22 and name H2 and segid A) (resid 23 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 22 and name H2 and segid A) (resid 23 and name H2 and segid A) 5.0 1.25 1.25 assign (resid 22 and name H2 and segid A) (resid 23 and name H4' and segid A) 5.0 1.25 1.25 !residue 23 assign (resid 23 and name H2 and segid A) (resid 20 and name H2 and segid A) 5.0 1.25 1.25 assign (resid 23 and name H2 and segid A) (resid 20 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 23 and name H2 and segid A) (resid 20 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 23 and name H2 and segid A) (resid 21 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 23 and name H2 and segid A) (resid 21 and name H4' and segid A) 5.0 1.25 1.25 !Added back in assign (resid 23 and name H2 and segid A) (resid 21 and name H5'* and segid A) 5.0 2.0 1.25 !assign (resid 23 and name H2 and segid A) (resid 22 and name H4' and segid A) 5.0 1.25 1.25 !removed 031110 assign (resid 23 and name H2 and segid A) (resid 23 and name H2' and segid A) 5.0 1.25 1.25 !assign (resid 23 and name H2 and segid A) (resid 23 and name H3' and segid A) 5.0 1.25 1.25 !removed 031110 assign (resid 23 and name H2 and segid A) (resid 24 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 23 and name H2 and segid A) (resid 24 and name H1' and segid A) 5.0 2.0 1.25 !Added in although overlap assign (resid 23 and name H2 and segid A) (resid 24 and name H2' and segid A) 5.0 1.25 1.25 !residue 27 assign (resid 27 and name H2 and segid A) (resid 27 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 27 and name H2 and segid A) (resid 28 and name H1' and segid A) 3.0 0.75 0.75 assign (resid 27 and name H2 and segid A) (resid 17 and name H1' and segid A) 3.0 0.75 0.75 assign (resid 27 and name H2 and segid A) (resid 16 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 27 and name H2 and segid A) (resid 28 and name H2 and segid A) 4.0 1.0 1.0 assign (resid 27 and name H2 and segid A) (resid 28 and name H8 and segid A) 4.0 1.0 1.0 !assign (resid 27 and name H2 and segid A) (resid 29 and name H8 and segid A) 5.0 1.25 1.25 !residue 28 assign (resid 28 and name H2 and segid A) (resid 28 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 28 and name H2 and segid A) (resid 15 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 28 and name H2 and segid A) (resid 16 and name H1' and segid A) 3.0 0.75 0.75 assign (resid 28 and name H2 and segid A) (resid 29 and name H1' and segid A) 3.0 0.75 0.75 assign (resid 28 and name H2 and segid A) (resid 29 and name H8 and segid A) 5.0 1.25 1.25 !assign (resid 28 and name H2 and segid A) (resid 30 and name H8 and segid A) 5.0 1.25 1.25 !residue 33 assign (resid 33 and name H2 and segid A) (resid 33 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 33 and name H2 and segid A) (resid 33 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 33 and name H2 and segid A) (resid 34 and name H1' and segid A) 3.0 0.75 0.75 assign (resid 33 and name H2 and segid A) (resid 34 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 33 and name H2 and segid A) (resid 10 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 33 and name H2 and segid A) (resid 11 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 33 and name H2 and segid A) (resid 11 and name H8 and segid A) 5.0 1.25 1.25 !assign (resid 33 and name H2 and segid A) (resid 12 and name H8 and segid A) 5.0 1.25 1.25 !residue 37 assign (resid 37 and name H2 and segid A) (resid 37 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 37 and name H2 and segid A) (resid 10 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 37 and name H2 and segid A) (resid 38 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 37 and name H2 and segid A) (resid 38 and name H2 and segid A) 4.0 1.0 1.0 !residue 38 assign (resid 38 and name H2 and segid A) (resid 8 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H2 and segid A) (resid 9 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H2 and segid A) (resid 9 and name H4' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H2 and segid A) (resid 38 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H2 and segid A) (resid 39 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 38 and name H2 and segid A) (resid 39 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H2 and segid A) (resid 39 and name H3' and segid A) 5.0 1.25 1.25 assign (resid 38 and name H2 and segid A) (resid 39 and name H6 and segid A) 5.0 1.25 1.25 !----------------------------------------------------------------------- !RNA-RNA Exchangeable NOEs !----------------------------------------------------------------------- !NOTE; CNS REVERSES AMINO PROTON NAMES SO AMINO DISTANCES ARE REVERSED !residue 1 assign (resid 1 and name H1 and segid A) (resid 1 and name H21 and segid A) 5.0 1.25 1.25 assign (resid 1 and name H1 and segid A) (resid 45 and name H41 and segid A) 4.0 1.0 1.0 assign (resid 1 and name H1 and segid A) (resid 45 and name H42 and segid A) 4.0 1.0 1.0 !assign (resid 1 and name H1 and segid A) (resid 2 and name H1 and segid A) 4.0 1.0 1.0 !assign (resid 1 and name H1 and segid A) (resid 1 and name H22 and segid A) 5.0 1.25 1.25 !residue 2 assign (resid 2 and name H1 and segid A) (resid 3 and name H1 and segid A) 5.0 1.25 1.25 assign (resid 2 and name H1 and segid A) (resid 3 and name H1' and segid A) 3.0 0.75 0.75 assign (resid 2 and name H1 and segid A) (resid 2 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 2 and name H1 and segid A) (resid 2 and name H21 and segid A) 3.0 0.75 0.75 assign (resid 2 and name H1 and segid A) (resid 44 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 2 and name H1 and segid A) (resid 44 and name H42 and segid A) 3.0 0.75 0.75 !residue 3 assign (resid 3 and name H1 and segid A) (resid 42 and name H3 and segid A) 5.0 1.25 1.25 assign (resid 3 and name H1 and segid A) (resid 43 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 3 and name H1 and segid A) (resid 44 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 3 and name H1 and segid A) (resid 4 and name H2 and segid A) 4.0 1.0 1.0 assign (resid 3 and name H1 and segid A) (resid 4 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 3 and name H1 and segid A) (resid 4 and name H62 and segid A) 4.0 1.0 1.0 assign (resid 3 and name H1 and segid A) (resid 3 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 3 and name H1 and segid A) (resid 3 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 3 and name H1 and segid A) (resid 43 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 3 and name H1 and segid A) (resid 43 and name H42 and segid A) 3.0 0.75 0.75 !assign (resid 3 and name H1 and segid A) (resid 3 and name H21 and segid A) 4.0 1.0 1.0 !residue 6 assign (resid 6 and name H1 and segid A) (resid 41 and name H3 and segid A) 4.0 1.0 1.0 assign (resid 6 and name H1 and segid A) (resid 5 and name H2 and segid A) 5.0 1.25 1.25 assign (resid 6 and name H1 and segid A) (resid 5 and name H62 and segid A) 3.0 0.75 0.75 assign (resid 6 and name H1 and segid A) (resid 7 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 6 and name H1 and segid A) (resid 40 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 6 and name H1 and segid A) (resid 6 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 6 and name H1 and segid A) (resid 41 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 6 and name H1 and segid A) (resid 6 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 6 and name H1 and segid A) (resid 6 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 6 and name H1 and segid A) (resid 6 and name H21 and segid A) 3.0 0.75 0.75 assign (resid 6 and name H1 and segid A) (resid 40 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 6 and name H1 and segid A) (resid 40 and name H42 and segid A) 3.0 0.75 0.75 !assign (resid 6 and name H1 and segid A) (resid 39 and name H3 and segid A) 4.0 1.0 1.0 !residue 8 !residue 10 assign (resid 10 and name H3 and segid A) (resid 11 and name H1 and segid A) 5.0 1.25 1.25 assign (resid 10 and name H3 and segid A) (resid 10 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 10 and name H3 and segid A) (resid 11 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 10 and name H3 and segid A) (resid 10 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 10 and name H3 and segid A) (resid 34 and name H1 and segid A) 5.0 1.25 1.25 assign (resid 10 and name H3 and segid A) (resid 33 and name H62 and segid A) 4.0 1.75 2.25 !m expanded assign (resid 10 and name H3 and segid A) (resid 33 and name H61 and segid A) 4.0 1.75 2.25 !m expanded assign (resid 10 and name H3 and segid A) (resid 32 and name H42 and segid A) 5.0 1.25 1.25 assign (resid 10 and name H3 and segid A) (resid 33 and name H2 and segid A) 3.0 0.75 0.75 !residue 11 assign (resid 11 and name H1 and segid A) (resid 12 and name H1 and segid A) 5.0 1.25 1.25 assign (resid 11 and name H1 and segid A) (resid 32 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 11 and name H1 and segid A) (resid 12 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 11 and name H1 and segid A) (resid 31 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 11 and name H1 and segid A) (resid 11 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 11 and name H1 and segid A) (resid 31 and name H42 and segid A) 5.0 1.25 1.25 assign (resid 11 and name H1 and segid A) (resid 11 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 11 and name H1 and segid A) (resid 11 and name H21 and segid A) 4.0 1.0 1.0 assign (resid 11 and name H1 and segid A) (resid 32 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 11 and name H1 and segid A) (resid 32 and name H42 and segid A) 3.0 0.75 0.75 !residue 12 assign (resid 12 and name H1 and segid A) (resid 31 and name H6 and segid A) 5.0 1.25 1.25 assign (resid 12 and name H1 and segid A) (resid 13 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 12 and name H1 and segid A) (resid 12 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 12 and name H1 and segid A) (resid 12 and name H21 and segid A) 3.0 0.75 0.75 assign (resid 12 and name H1 and segid A) (resid 31 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 12 and name H1 and segid A) (resid 31 and name H42 and segid A) 3.0 0.75 0.75 !assign (resid 12 and name H1 and segid A) (resid 30 and name H1 and segid A) 4.0 1.0 1.0 !residue 15 assign (resid 15 and name H3 and segid A) (resid 16 and name H3 and segid A) 4.0 1.0 1.0 assign (resid 15 and name H3 and segid A) (resid 29 and name H1 and segid A) 4.0 1.0 1.0 assign (resid 15 and name H3 and segid A) (resid 14 and name H42 and segid A) 5.0 1.25 1.25 assign (resid 15 and name H3 and segid A) (resid 29 and name H22 and segid A) 5.0 1.25 1.25 assign (resid 15 and name H3 and segid A) (resid 14 and name H41 and segid A) 5.0 1.25 1.25 assign (resid 15 and name H3 and segid A) (resid 29 and name H21 and segid A) 5.0 1.25 1.25 assign (resid 15 and name H3 and segid A) (resid 15 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 15 and name H3 and segid A) (resid 15 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 15 and name H3 and segid A) (resid 28 and name H62 and segid A) 3.0 0.75 0.75 assign (resid 15 and name H3 and segid A) (resid 28 and name H61 and segid A) 3.0 0.75 0.75 assign (resid 15 and name H3 and segid A) (resid 27 and name H2 and segid A) 5.0 1.25 1.25 assign (resid 15 and name H3 and segid A) (resid 28 and name H2 and segid A) 3.0 0.75 0.75 !residue 16 assign (resid 16 and name H3 and segid A) (resid 26 and name H1 and segid A) 4.0 1.0 1.0 assign (resid 16 and name H3 and segid A) (resid 27 and name H62 and segid A) 3.0 0.75 0.75 assign (resid 16 and name H3 and segid A) (resid 27 and name H61 and segid A) 3.0 0.75 0.75 assign (resid 16 and name H3 and segid A) (resid 27 and name H2 and segid A) 3.0 0.75 0.75 assign (resid 16 and name H3 and segid A) (resid 28 and name H2 and segid A) 4.0 1.0 1.0 assign (resid 16 and name H3 and segid A) (resid 28 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 16 and name H3 and segid A) (resid 16 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 16 and name H3 and segid A) (resid 15 and name H5 and segid A) 5.0 1.25 1.25 !residue 24 assign (resid 24 and name H1 and segid A) (resid 25 and name H1 and segid A) 5.0 1.25 1.25 assign (resid 24 and name H1 and segid A) (resid 24 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 24 and name H1 and segid A) (resid 24 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 24 and name H1 and segid A) (resid 24 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 24 and name H1 and segid A) (resid 24 and name H21 and segid A) 3.0 0.75 0.75 assign (resid 24 and name H1 and segid A) (resid 19 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 24 and name H1 and segid A) (resid 19 and name H42 and segid A) 3.0 0.75 0.75 !residue 25 assign (resid 25 and name H1 and segid A) (resid 26 and name H1 and segid A) 4.0 1.0 1.0 assign (resid 25 and name H1 and segid A) (resid 26 and name H8 and segid A) 5.0 1.25 1.25 assign (resid 25 and name H1 and segid A) (resid 26 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 25 and name H1 and segid A) (resid 25 and name H21 and segid A) 3.0 0.75 0.75 assign (resid 25 and name H1 and segid A) (resid 25 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 25 and name H1 and segid A) (resid 18 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 25 and name H1 and segid A) (resid 18 and name H42 and segid A) 3.0 0.75 0.75 !residue 26 assign (resid 26 and name H1 and segid A) (resid 26 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 26 and name H1 and segid A) (resid 26 and name H21 and segid A) 4.0 1.0 1.0 assign (resid 26 and name H1 and segid A) (resid 17 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 26 and name H1 and segid A) (resid 17 and name H42 and segid A) 3.0 0.75 0.75 assign (resid 26 and name H1 and segid A) (resid 27 and name H62 and segid A) 3.0 0.75 0.75 assign (resid 26 and name H1 and segid A) (resid 27 and name H2 and segid A) 4.0 1.0 1.0 assign (resid 26 and name H1 and segid A) (resid 18 and name H41 and segid A) 4.0 1.0 1.0 assign (resid 26 and name H1 and segid A) (resid 27 and name H61 and segid A) 5.0 1.25 1.25 assign (resid 26 and name H1 and segid A) (resid 17 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 26 and name H1 and segid A) (resid 26 and name H2' and segid A) 5.0 1.25 1.25 assign (resid 26 and name H1 and segid A) (resid 18 and name H1' and segid A) 4.0 1.0 1.0 !residue 29 assign (resid 29 and name H1 and segid A) (resid 29 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 29 and name H1 and segid A) (resid 29 and name H21 and segid A) 4.0 1.0 1.0 assign (resid 29 and name H1 and segid A) (resid 14 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 29 and name H1 and segid A) (resid 14 and name H42 and segid A) 3.0 0.75 0.75 assign (resid 29 and name H1 and segid A) (resid 28 and name H61 and segid A) 5.0 1.25 1.25 assign (resid 29 and name H1 and segid A) (resid 28 and name H2 and segid A) 5.0 1.25 1.25 assign (resid 29 and name H1 and segid A) (resid 30 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 29 and name H1 and segid A) (resid 14 and name H5 and segid A) 4.0 1.0 1.0 assign (resid 29 and name H1 and segid A) (resid 29 and name H2' and segid A) 5.0 1.25 1.25 !residue 30 assign (resid 30 and name H1 and segid A) (resid 30 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 30 and name H1 and segid A) (resid 30 and name H21 and segid A) 4.0 1.0 1.0 assign (resid 30 and name H1 and segid A) (resid 13 and name H41 and segid A) 3.0 0.75 0.75 assign (resid 30 and name H1 and segid A) (resid 13 and name H42 and segid A) 3.0 0.75 0.75 assign (resid 30 and name H1 and segid A) (resid 30 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 30 and name H1 and segid A) (resid 29 and name H22 and segid A) 5.0 1.25 1.25 assign (resid 30 and name H1 and segid A) (resid 31 and name H5 and segid A) 4.0 1.0 1.0 !residue 34 assign (resid 34 and name H1 and segid A) (resid 34 and name H22 and segid A) 3.0 0.75 0.75 assign (resid 34 and name H1 and segid A) (resid 34 and name H21 and segid A) 3.0 0.75 0.75 assign (resid 34 and name H1 and segid A) (resid 9 and name H41 and segid A) 5.0 1.25 1.25 assign (resid 34 and name H1 and segid A) (resid 9 and name H42 and segid A) 5.0 1.25 1.25 assign (resid 34 and name H1 and segid A) (resid 34 and name H1' and segid A) 5.0 1.25 1.25 !residue 35 !residue 36 !residue 39 assign (resid 39 and name H3 and segid A) (resid 7 and name H2 and segid A) 4.0 1.0 1.0 !residue 41 assign (resid 41 and name H3 and segid A) (resid 42 and name H3 and segid A) 4.0 1.0 1.0 assign (resid 41 and name H3 and segid A) (resid 40 and name H41 and segid A) 5.0 1.25 1.25 assign (resid 41 and name H3 and segid A) (resid 6 and name H21 and segid A) 5.0 1.25 1.25 assign (resid 41 and name H3 and segid A) (resid 6 and name H22 and segid A) 4.0 1.0 1.0 assign (resid 41 and name H3 and segid A) (resid 41 and name H1' and segid A) 4.0 1.0 1.0 assign (resid 41 and name H3 and segid A) (resid 41 and name H2' and segid A) 4.0 1.0 1.0 assign (resid 41 and name H3 and segid A) (resid 41 and name H5 and segid A) 5.0 1.25 1.25 assign (resid 41 and name H3 and segid A) (resid 5 and name H62 and segid A) 4.0 1.0 1.0 assign (resid 41 and name H3 and segid A) (resid 5 and name H61 and segid A) 4.0 1.0 1.0 assign (resid 41 and name H3 and segid A) (resid 5 and name H2 and segid A) 3.0 0.75 0.75 assign (resid 41 and name H3 and segid A) (resid 4 and name H2 and segid A) 5.0 1.25 1.25 !residue 42 assign (resid 42 and name H3 and segid A) (resid 4 and name H62 and segid A) 4.0 1.0 1.0 assign (resid 42 and name H3 and segid A) (resid 4 and name H61 and segid A) 4.0 1.0 1.0 assign (resid 42 and name H3 and segid A) (resid 4 and name H2 and segid A) 3.0 0.75 0.75 assign (resid 42 and name H3 and segid A) (resid 5 and name H2 and segid A) 4.0 1.0 1.0 assign (resid 42 and name H3 and segid A) (resid 5 and name H1' and segid A) 5.0 1.25 1.25 assign (resid 42 and name H3 and segid A) (resid 42 and name H5 and segid A) 4.0 1.0 1.0 !-------------------------------------------------------------------------------- !RNA restraints from ideal geometry !-------------------------------------------------------------------------------- !A-form backbone restraints assign (resid 1 and name O2' and segid A) (resid 2 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 2 and name O2' and segid A) (resid 3 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 3 and name O2' and segid A) (resid 4 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 4 and name O2' and segid A) (resid 5 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 5 and name O2' and segid A) (resid 6 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 6 and name O2' and segid A) (resid 7 and name H5'* and segid A) 4.0 2.0 1.5 !---Bulge Region---! assign (resid 10 and name O2' and segid A) (resid 11 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 11 and name O2' and segid A) (resid 12 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 12 and name O2' and segid A) (resid 13 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 13 and name O2' and segid A) (resid 14 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 14 and name O2' and segid A) (resid 15 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 15 and name O2' and segid A) (resid 16 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 16 and name O2' and segid A) (resid 17 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 17 and name O2' and segid A) (resid 18 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 18 and name O2' and segid A) (resid 19 and name H5'* and segid A) 4.0 2.0 1.5 !---Loop Region---! assign (resid 24 and name O2' and segid A) (resid 25 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 25 and name O2' and segid A) (resid 26 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 26 and name O2' and segid A) (resid 27 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 27 and name O2' and segid A) (resid 28 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 28 and name O2' and segid A) (resid 29 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 29 and name O2' and segid A) (resid 30 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 30 and name O2' and segid A) (resid 31 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 31 and name O2' and segid A) (resid 32 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 32 and name O2' and segid A) (resid 33 and name H5'* and segid A) 4.0 2.0 1.5 !---Bulge Region---! assign (resid 39 and name O2' and segid A) (resid 40 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 40 and name O2' and segid A) (resid 41 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 41 and name O2' and segid A) (resid 42 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 42 and name O2' and segid A) (resid 43 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 43 and name O2' and segid A) (resid 44 and name H5'* and segid A) 4.0 2.0 1.5 assign (resid 44 and name O2' and segid A) (resid 45 and name H5'* and segid A) 4.0 2.0 1.5 !-------------------------------------------------------------------------------- !RNA Phosphate Restraints !-------------------------------------------------------------------------------- !across major groove assign (resid 1 and name P and segid A) (resid 39 and name P and segid A) 10.0 2.0 2.0 !assign (resid 2 and name P and segid A) (resid 38 and name P and segid A) 10.0 2.0 2.0 !removed assign (resid 9 and name P and segid A) (resid 28 and name P and segid A) 10.0 2.0 2.0 !added back in assign (resid 10 and name P and segid A) (resid 27 and name P and segid A) 10.0 2.0 2.0 assign (resid 11 and name P and segid A) (resid 26 and name P and segid A) 10.0 2.0 2.0 assign (resid 12 and name P and segid A) (resid 25 and name P and segid A) 10.0 2.0 2.0 assign (resid 13 and name P and segid A) (resid 24 and name P and segid A) 10.0 2.0 2.0 !added back in !across base-pairs assign (resid 1 and name P and segid A) (resid 45 and name P and segid A) 18.0 3.0 3.0 assign (resid 2 and name P and segid A) (resid 44 and name P and segid A) 18.0 3.0 3.0 assign (resid 3 and name P and segid A) (resid 43 and name P and segid A) 18.0 3.0 3.0 assign (resid 4 and name P and segid A) (resid 42 and name P and segid A) 18.0 3.0 3.0 assign (resid 5 and name P and segid A) (resid 41 and name P and segid A) 18.0 3.0 3.0 assign (resid 6 and name P and segid A) (resid 40 and name P and segid A) 18.0 3.0 3.0 assign (resid 7 and name P and segid A) (resid 39 and name P and segid A) 18.0 3.0 3.0 !---Bulge Region---! assign (resid 10 and name P and segid A) (resid 33 and name P and segid A) 18.0 3.0 3.0 assign (resid 11 and name P and segid A) (resid 32 and name P and segid A) 18.0 3.0 3.0 assign (resid 12 and name P and segid A) (resid 31 and name P and segid A) 18.0 3.0 3.0 assign (resid 13 and name P and segid A) (resid 30 and name P and segid A) 18.0 3.0 3.0 assign (resid 14 and name P and segid A) (resid 29 and name P and segid A) 18.0 3.0 3.0 assign (resid 15 and name P and segid A) (resid 28 and name P and segid A) 18.0 3.0 3.0 assign (resid 16 and name P and segid A) (resid 27 and name P and segid A) 18.0 3.0 3.0 assign (resid 17 and name P and segid A) (resid 26 and name P and segid A) 18.0 3.0 3.0 assign (resid 18 and name P and segid A) (resid 25 and name P and segid A) 18.0 3.0 3.0 assign (resid 19 and name P and segid A) (resid 24 and name P and segid A) 18.0 3.0 3.0 !added back in !P(n)-P(n+1) assign (resid 1 and name P and segid A) (resid 2 and name P and segid A) 5.6 1.0 1.0 assign (resid 2 and name P and segid A) (resid 3 and name P and segid A) 5.6 1.0 1.0 assign (resid 3 and name P and segid A) (resid 4 and name P and segid A) 5.6 1.0 1.0 assign (resid 4 and name P and segid A) (resid 5 and name P and segid A) 5.6 1.0 1.0 assign (resid 5 and name P and segid A) (resid 6 and name P and segid A) 5.6 1.0 1.0 assign (resid 6 and name P and segid A) (resid 7 and name P and segid A) 5.6 1.0 1.0 !assign (resid 7 and name P and segid A) (resid 8 and name P and segid A) 5.6 1.0 1.0 !removed !---Bulge Region---! assign (resid 9 and name P and segid A) (resid 10 and name P and segid A) 5.6 1.0 1.0 !added back in assign (resid 10 and name P and segid A) (resid 11 and name P and segid A) 5.6 1.0 1.0 assign (resid 11 and name P and segid A) (resid 12 and name P and segid A) 5.6 1.0 1.0 assign (resid 12 and name P and segid A) (resid 13 and name P and segid A) 5.6 1.0 1.0 assign (resid 13 and name P and segid A) (resid 14 and name P and segid A) 5.6 1.0 1.0 assign (resid 14 and name P and segid A) (resid 15 and name P and segid A) 5.6 1.0 1.0 assign (resid 15 and name P and segid A) (resid 16 and name P and segid A) 5.6 1.0 1.0 assign (resid 16 and name P and segid A) (resid 17 and name P and segid A) 5.6 1.0 1.0 assign (resid 17 and name P and segid A) (resid 18 and name P and segid A) 5.6 1.0 1.0 assign (resid 18 and name P and segid A) (resid 19 and name P and segid A) 5.6 1.0 1.0 !---Loop Region---! assign (resid 24 and name P and segid A) (resid 25 and name P and segid A) 5.6 1.0 1.0 assign (resid 25 and name P and segid A) (resid 26 and name P and segid A) 5.6 1.0 1.0 assign (resid 26 and name P and segid A) (resid 27 and name P and segid A) 5.6 1.0 1.0 assign (resid 27 and name P and segid A) (resid 28 and name P and segid A) 5.6 1.0 1.0 assign (resid 28 and name P and segid A) (resid 29 and name P and segid A) 5.6 1.0 1.0 assign (resid 29 and name P and segid A) (resid 30 and name P and segid A) 5.6 1.0 1.0 assign (resid 30 and name P and segid A) (resid 31 and name P and segid A) 5.6 1.0 1.0 assign (resid 31 and name P and segid A) (resid 32 and name P and segid A) 5.6 1.0 1.0 assign (resid 32 and name P and segid A) (resid 33 and name P and segid A) 5.6 1.0 1.0 assign (resid 33 and name P and segid A) (resid 34 and name P and segid A) 5.6 1.0 1.0 !added back in !---Bulge Region---! !assign (resid 38 and name P and segid A) (resid 39 and name P and segid A) 5.6 1.0 1.0 !removed assign (resid 39 and name P and segid A) (resid 40 and name P and segid A) 5.6 1.0 1.0 assign (resid 40 and name P and segid A) (resid 41 and name P and segid A) 5.6 1.0 1.0 assign (resid 41 and name P and segid A) (resid 42 and name P and segid A) 5.6 1.0 1.0 assign (resid 42 and name P and segid A) (resid 43 and name P and segid A) 5.6 1.0 1.0 assign (resid 43 and name P and segid A) (resid 44 and name P and segid A) 5.6 1.0 1.0 assign (resid 44 and name P and segid A) (resid 45 and name P and segid A) 5.6 1.0 1.0! Alpha (O3' - P - O5' - C5') assign (resid 1 and segid A and name O3') (resid 2 and segid A and name P) (resid 2 and segid A and name O5') (resid 2 and segid A and name C5') 1 -68 15 2 assign (resid 2 and segid A and name O3') (resid 3 and segid A and name P) (resid 3 and segid A and name O5') (resid 3 and segid A and name C5') 1 -68 15 2 assign (resid 3 and segid A and name O3') (resid 4 and segid A and name P) (resid 4 and segid A and name O5') (resid 4 and segid A and name C5') 1 -68 15 2 assign (resid 4 and segid A and name O3') (resid 5 and segid A and name P) (resid 5 and segid A and name O5') (resid 5 and segid A and name C5') 1 -68 15 2 assign (resid 5 and segid A and name O3') (resid 6 and segid A and name P) (resid 6 and segid A and name O5') (resid 6 and segid A and name C5') 1 -68 15 2 assign (resid 6 and segid A and name O3') (resid 7 and segid A and name P) (resid 7 and segid A and name O5') (resid 7 and segid A and name C5') 1 -68 15 2 !8 !9 assign (resid 9 and segid A and name O3') (resid 10 and segid A and name P) (resid 10 and segid A and name O5') (resid 10 and segid A and name C5') 1 -68 15 2 assign (resid 10 and segid A and name O3') (resid 11 and segid A and name P) (resid 11 and segid A and name O5') (resid 11 and segid A and name C5') 1 -68 15 2 assign (resid 11 and segid A and name O3') (resid 12 and segid A and name P) (resid 12 and segid A and name O5') (resid 12 and segid A and name C5') 1 -68 15 2 assign (resid 12 and segid A and name O3') (resid 13 and segid A and name P) (resid 13 and segid A and name O5') (resid 13 and segid A and name C5') 1 -68 15 2 assign (resid 13 and segid A and name O3') (resid 14 and segid A and name P) (resid 14 and segid A and name O5') (resid 14 and segid A and name C5') 1 -68 15 2 assign (resid 14 and segid A and name O3') (resid 15 and segid A and name P) (resid 15 and segid A and name O5') (resid 15 and segid A and name C5') 1 -68 15 2 assign (resid 15 and segid A and name O3') (resid 16 and segid A and name P) (resid 16 and segid A and name O5') (resid 16 and segid A and name C5') 1 -68 15 2 assign (resid 16 and segid A and name O3') (resid 17 and segid A and name P) (resid 17 and segid A and name O5') (resid 17 and segid A and name C5') 1 -68 15 2 assign (resid 17 and segid A and name O3') (resid 18 and segid A and name P) (resid 18 and segid A and name O5') (resid 18 and segid A and name C5') 1 -68 15 2 assign (resid 18 and segid A and name O3') (resid 19 and segid A and name P) (resid 19 and segid A and name O5') (resid 19 and segid A and name C5') 1 -68 15 2 !20 !21 !22 !23 !24 assign (resid 24 and segid A and name O3') (resid 25 and segid A and name P) (resid 25 and segid A and name O5') (resid 25 and segid A and name C5') 1 -68 15 2 assign (resid 25 and segid A and name O3') (resid 26 and segid A and name P) (resid 26 and segid A and name O5') (resid 26 and segid A and name C5') 1 -68 15 2 assign (resid 26 and segid A and name O3') (resid 27 and segid A and name P) (resid 27 and segid A and name O5') (resid 27 and segid A and name C5') 1 -68 15 2 assign (resid 27 and segid A and name O3') (resid 28 and segid A and name P) (resid 28 and segid A and name O5') (resid 28 and segid A and name C5') 1 -68 15 2 assign (resid 28 and segid A and name O3') (resid 29 and segid A and name P) (resid 29 and segid A and name O5') (resid 29 and segid A and name C5') 1 -68 15 2 assign (resid 29 and segid A and name O3') (resid 30 and segid A and name P) (resid 30 and segid A and name O5') (resid 30 and segid A and name C5') 1 -68 15 2 assign (resid 30 and segid A and name O3') (resid 31 and segid A and name P) (resid 31 and segid A and name O5') (resid 31 and segid A and name C5') 1 -68 15 2 assign (resid 31 and segid A and name O3') (resid 32 and segid A and name P) (resid 32 and segid A and name O5') (resid 32 and segid A and name C5') 1 -68 15 2 assign (resid 32 and segid A and name O3') (resid 33 and segid A and name P) (resid 33 and segid A and name O5') (resid 33 and segid A and name C5') 1 -68 15 2 assign (resid 33 and segid A and name O3') (resid 34 and segid A and name P) (resid 34 and segid A and name O5') (resid 34 and segid A and name C5') 1 -68 15 2 !35 !36 !37 !38 assign (resid 38 and segid A and name O3') (resid 39 and segid A and name P) (resid 39 and segid A and name O5') (resid 39 and segid A and name C5') 1 -68 15 2 assign (resid 39 and segid A and name O3') (resid 40 and segid A and name P) (resid 40 and segid A and name O5') (resid 40 and segid A and name C5') 1 -68 15 2 assign (resid 40 and segid A and name O3') (resid 41 and segid A and name P) (resid 41 and segid A and name O5') (resid 41 and segid A and name C5') 1 -68 15 2 assign (resid 41 and segid A and name O3') (resid 42 and segid A and name P) (resid 42 and segid A and name O5') (resid 42 and segid A and name C5') 1 -68 15 2 assign (resid 42 and segid A and name O3') (resid 43 and segid A and name P) (resid 43 and segid A and name O5') (resid 43 and segid A and name C5') 1 -68 15 2 assign (resid 43 and segid A and name O3') (resid 44 and segid A and name P) (resid 44 and segid A and name O5') (resid 44 and segid A and name C5') 1 -68 15 2 assign (resid 44 and segid A and name O3') (resid 45 and segid A and name P) (resid 45 and segid A and name O5') (resid 45 and segid A and name C5') 1 -68 15 2 ! Beta (P - O5' - C5' - C4') assign (resid 1 and segid A and name P) (resid 1 and segid A and name O5') (resid 1 and segid A and name C5') (resid 1 and segid A and name C4') 1 178 15 2 assign (resid 2 and segid A and name P) (resid 2 and segid A and name O5') (resid 2 and segid A and name C5') (resid 2 and segid A and name C4') 1 178 15 2 assign (resid 3 and segid A and name P) (resid 3 and segid A and name O5') (resid 3 and segid A and name C5') (resid 3 and segid A and name C4') 1 178 15 2 assign (resid 4 and segid A and name P) (resid 4 and segid A and name O5') (resid 4 and segid A and name C5') (resid 4 and segid A and name C4') 1 178 15 2 assign (resid 5 and segid A and name P) (resid 5 and segid A and name O5') (resid 5 and segid A and name C5') (resid 5 and segid A and name C4') 1 178 15 2 assign (resid 6 and segid A and name P) (resid 6 and segid A and name O5') (resid 6 and segid A and name C5') (resid 6 and segid A and name C4') 1 178 15 2 assign (resid 7 and segid A and name P) (resid 7 and segid A and name O5') (resid 7 and segid A and name C5') (resid 7 and segid A and name C4') 1 178 15 2 !8 !9 assign (resid 10 and segid A and name P) (resid 10 and segid A and name O5') (resid 10 and segid A and name C5') (resid 10 and segid A and name C4') 1 178 15 2 assign (resid 11 and segid A and name P) (resid 11 and segid A and name O5') (resid 11 and segid A and name C5') (resid 11 and segid A and name C4') 1 178 15 2 assign (resid 12 and segid A and name P) (resid 12 and segid A and name O5') (resid 12 and segid A and name C5') (resid 12 and segid A and name C4') 1 178 15 2 assign (resid 13 and segid A and name P) (resid 13 and segid A and name O5') (resid 13 and segid A and name C5') (resid 13 and segid A and name C4') 1 178 15 2 assign (resid 14 and segid A and name P) (resid 14 and segid A and name O5') (resid 14 and segid A and name C5') (resid 14 and segid A and name C4') 1 178 15 2 assign (resid 15 and segid A and name P) (resid 15 and segid A and name O5') (resid 15 and segid A and name C5') (resid 15 and segid A and name C4') 1 178 15 2 assign (resid 16 and segid A and name P) (resid 16 and segid A and name O5') (resid 16 and segid A and name C5') (resid 16 and segid A and name C4') 1 178 15 2 assign (resid 17 and segid A and name P) (resid 17 and segid A and name O5') (resid 17 and segid A and name C5') (resid 17 and segid A and name C4') 1 178 15 2 assign (resid 18 and segid A and name P) (resid 18 and segid A and name O5') (resid 18 and segid A and name C5') (resid 18 and segid A and name C4') 1 178 15 2 assign (resid 19 and segid A and name P) (resid 19 and segid A and name O5') (resid 19 and segid A and name C5') (resid 19 and segid A and name C4') 1 178 15 2 !20 !21 !22 !23 !24 assign (resid 25 and segid A and name P) (resid 25 and segid A and name O5') (resid 25 and segid A and name C5') (resid 25 and segid A and name C4') 1 178 15 2 assign (resid 26 and segid A and name P) (resid 26 and segid A and name O5') (resid 26 and segid A and name C5') (resid 26 and segid A and name C4') 1 178 15 2 assign (resid 27 and segid A and name P) (resid 27 and segid A and name O5') (resid 27 and segid A and name C5') (resid 27 and segid A and name C4') 1 178 15 2 assign (resid 28 and segid A and name P) (resid 28 and segid A and name O5') (resid 28 and segid A and name C5') (resid 28 and segid A and name C4') 1 178 15 2 assign (resid 29 and segid A and name P) (resid 29 and segid A and name O5') (resid 29 and segid A and name C5') (resid 29 and segid A and name C4') 1 178 15 2 assign (resid 30 and segid A and name P) (resid 30 and segid A and name O5') (resid 30 and segid A and name C5') (resid 30 and segid A and name C4') 1 178 15 2 assign (resid 31 and segid A and name P) (resid 31 and segid A and name O5') (resid 31 and segid A and name C5') (resid 31 and segid A and name C4') 1 178 15 2 assign (resid 32 and segid A and name P) (resid 32 and segid A and name O5') (resid 32 and segid A and name C5') (resid 32 and segid A and name C4') 1 178 15 2 assign (resid 33 and segid A and name P) (resid 33 and segid A and name O5') (resid 33 and segid A and name C5') (resid 33 and segid A and name C4') 1 178 15 2 assign (resid 34 and segid A and name P) (resid 34 and segid A and name O5') (resid 34 and segid A and name C5') (resid 34 and segid A and name C4') 1 178 15 2 !35 !36 !37 !38 assign (resid 39 and segid A and name P) (resid 39 and segid A and name O5') (resid 39 and segid A and name C5') (resid 39 and segid A and name C4') 1 178 15 2 assign (resid 40 and segid A and name P) (resid 40 and segid A and name O5') (resid 40 and segid A and name C5') (resid 40 and segid A and name C4') 1 178 15 2 assign (resid 41 and segid A and name P) (resid 41 and segid A and name O5') (resid 41 and segid A and name C5') (resid 41 and segid A and name C4') 1 178 15 2 assign (resid 42 and segid A and name P) (resid 42 and segid A and name O5') (resid 42 and segid A and name C5') (resid 42 and segid A and name C4') 1 178 15 2 assign (resid 43 and segid A and name P) (resid 43 and segid A and name O5') (resid 43 and segid A and name C5') (resid 43 and segid A and name C4') 1 178 15 2 assign (resid 44 and segid A and name P) (resid 44 and segid A and name O5') (resid 44 and segid A and name C5') (resid 44 and segid A and name C4') 1 178 15 2 assign (resid 45 and segid A and name P) (resid 45 and segid A and name O5') (resid 45 and segid A and name C5') (resid 45 and segid A and name C4') 1 178 15 2 ! Gamma ( O5' - C5' - C4' - C3') assign (resid 1 and segid A and name O5') (resid 1 and segid A and name C5') (resid 1 and segid A and name C4') (resid 1 and segid A and name C3') 1 54 15 2 assign (resid 2 and segid A and name O5') (resid 2 and segid A and name C5') (resid 2 and segid A and name C4') (resid 2 and segid A and name C3') 1 54 15 2 assign (resid 3 and segid A and name O5') (resid 3 and segid A and name C5') (resid 3 and segid A and name C4') (resid 3 and segid A and name C3') 1 54 15 2 assign (resid 4 and segid A and name O5') (resid 4 and segid A and name C5') (resid 4 and segid A and name C4') (resid 4 and segid A and name C3') 1 54 15 2 assign (resid 5 and segid A and name O5') (resid 5 and segid A and name C5') (resid 5 and segid A and name C4') (resid 5 and segid A and name C3') 1 54 15 2 assign (resid 6 and segid A and name O5') (resid 6 and segid A and name C5') (resid 6 and segid A and name C4') (resid 6 and segid A and name C3') 1 54 15 2 assign (resid 7 and segid A and name O5') (resid 7 and segid A and name C5') (resid 7 and segid A and name C4') (resid 7 and segid A and name C3') 1 54 15 2 !8 !9 assign (resid 10 and segid A and name O5') (resid 10 and segid A and name C5') (resid 10 and segid A and name C4') (resid 10 and segid A and name C3') 1 54 15 2 assign (resid 11 and segid A and name O5') (resid 11 and segid A and name C5') (resid 11 and segid A and name C4') (resid 11 and segid A and name C3') 1 54 15 2 assign (resid 12 and segid A and name O5') (resid 12 and segid A and name C5') (resid 12 and segid A and name C4') (resid 12 and segid A and name C3') 1 54 15 2 assign (resid 13 and segid A and name O5') (resid 13 and segid A and name C5') (resid 13 and segid A and name C4') (resid 13 and segid A and name C3') 1 54 15 2 assign (resid 14 and segid A and name O5') (resid 14 and segid A and name C5') (resid 14 and segid A and name C4') (resid 14 and segid A and name C3') 1 54 15 2 assign (resid 15 and segid A and name O5') (resid 15 and segid A and name C5') (resid 15 and segid A and name C4') (resid 15 and segid A and name C3') 1 54 15 2 assign (resid 16 and segid A and name O5') (resid 16 and segid A and name C5') (resid 16 and segid A and name C4') (resid 16 and segid A and name C3') 1 54 15 2 assign (resid 17 and segid A and name O5') (resid 17 and segid A and name C5') (resid 17 and segid A and name C4') (resid 17 and segid A and name C3') 1 54 15 2 assign (resid 18 and segid A and name O5') (resid 18 and segid A and name C5') (resid 18 and segid A and name C4') (resid 18 and segid A and name C3') 1 54 15 2 assign (resid 19 and segid A and name O5') (resid 19 and segid A and name C5') (resid 19 and segid A and name C4') (resid 19 and segid A and name C3') 1 54 15 2 !20 !21 !22 !23 !24 assign (resid 25 and segid A and name O5') (resid 25 and segid A and name C5') (resid 25 and segid A and name C4') (resid 25 and segid A and name C3') 1 54 15 2 assign (resid 26 and segid A and name O5') (resid 26 and segid A and name C5') (resid 26 and segid A and name C4') (resid 26 and segid A and name C3') 1 54 15 2 assign (resid 27 and segid A and name O5') (resid 27 and segid A and name C5') (resid 27 and segid A and name C4') (resid 27 and segid A and name C3') 1 54 15 2 assign (resid 28 and segid A and name O5') (resid 28 and segid A and name C5') (resid 28 and segid A and name C4') (resid 28 and segid A and name C3') 1 54 15 2 assign (resid 29 and segid A and name O5') (resid 29 and segid A and name C5') (resid 29 and segid A and name C4') (resid 29 and segid A and name C3') 1 54 15 2 assign (resid 30 and segid A and name O5') (resid 30 and segid A and name C5') (resid 30 and segid A and name C4') (resid 30 and segid A and name C3') 1 54 15 2 assign (resid 31 and segid A and name O5') (resid 31 and segid A and name C5') (resid 31 and segid A and name C4') (resid 31 and segid A and name C3') 1 54 15 2 assign (resid 32 and segid A and name O5') (resid 32 and segid A and name C5') (resid 32 and segid A and name C4') (resid 32 and segid A and name C3') 1 54 15 2 assign (resid 33 and segid A and name O5') (resid 33 and segid A and name C5') (resid 33 and segid A and name C4') (resid 33 and segid A and name C3') 1 54 15 2 assign (resid 34 and segid A and name O5') (resid 34 and segid A and name C5') (resid 34 and segid A and name C4') (resid 34 and segid A and name C3') 1 54 15 2 !35 !36 !37 !38 assign (resid 39 and segid A and name O5') (resid 39 and segid A and name C5') (resid 39 and segid A and name C4') (resid 39 and segid A and name C3') 1 54 15 2 assign (resid 40 and segid A and name O5') (resid 40 and segid A and name C5') (resid 40 and segid A and name C4') (resid 40 and segid A and name C3') 1 54 15 2 assign (resid 41 and segid A and name O5') (resid 41 and segid A and name C5') (resid 41 and segid A and name C4') (resid 41 and segid A and name C3') 1 54 15 2 assign (resid 42 and segid A and name O5') (resid 42 and segid A and name C5') (resid 42 and segid A and name C4') (resid 42 and segid A and name C3') 1 54 15 2 assign (resid 43 and segid A and name O5') (resid 43 and segid A and name C5') (resid 43 and segid A and name C4') (resid 43 and segid A and name C3') 1 54 15 2 assign (resid 44 and segid A and name O5') (resid 44 and segid A and name C5') (resid 44 and segid A and name C4') (resid 44 and segid A and name C3') 1 54 15 2 assign (resid 45 and segid A and name O5') (resid 45 and segid A and name C5') (resid 45 and segid A and name C4') (resid 45 and segid A and name C3') 1 54 15 2 ! Delta (C5' - C4' - C3' - O3') assign (resid 1 and segid A and name C5') (resid 1 and segid A and name C4') (resid 1 and segid A and name C3') (resid 1 and segid A and name O3') 1 82 15 2 assign (resid 2 and segid A and name C5') (resid 2 and segid A and name C4') (resid 2 and segid A and name C3') (resid 2 and segid A and name O3') 1 82 15 2 assign (resid 3 and segid A and name C5') (resid 3 and segid A and name C4') (resid 3 and segid A and name C3') (resid 3 and segid A and name O3') 1 82 15 2 assign (resid 4 and segid A and name C5') (resid 4 and segid A and name C4') (resid 4 and segid A and name C3') (resid 4 and segid A and name O3') 1 82 15 2 assign (resid 5 and segid A and name C5') (resid 5 and segid A and name C4') (resid 5 and segid A and name C3') (resid 5 and segid A and name O3') 1 82 15 2 assign (resid 6 and segid A and name C5') (resid 6 and segid A and name C4') (resid 6 and segid A and name C3') (resid 6 and segid A and name O3') 1 82 15 2 assign (resid 7 and segid A and name C5') (resid 7 and segid A and name C4') (resid 7 and segid A and name C3') (resid 7 and segid A and name O3') 1 82 15 2 assign (resid 8 and segid A and name C5') (resid 8 and segid A and name C4') (resid 8 and segid A and name C3') (resid 8 and segid A and name O3') 1 82 15 2 assign (resid 9 and segid A and name C5') (resid 9 and segid A and name C4') (resid 9 and segid A and name C3') (resid 9 and segid A and name O3') 1 82 15 2 assign (resid 10 and segid A and name C5') (resid 10 and segid A and name C4') (resid 10 and segid A and name C3') (resid 10 and segid A and name O3') 1 82 15 2 assign (resid 11 and segid A and name C5') (resid 11 and segid A and name C4') (resid 11 and segid A and name C3') (resid 11 and segid A and name O3') 1 82 15 2 assign (resid 12 and segid A and name C5') (resid 12 and segid A and name C4') (resid 12 and segid A and name C3') (resid 12 and segid A and name O3') 1 82 15 2 assign (resid 13 and segid A and name C5') (resid 13 and segid A and name C4') (resid 13 and segid A and name C3') (resid 13 and segid A and name O3') 1 82 15 2 assign (resid 14 and segid A and name C5') (resid 14 and segid A and name C4') (resid 14 and segid A and name C3') (resid 14 and segid A and name O3') 1 82 15 2 assign (resid 15 and segid A and name C5') (resid 15 and segid A and name C4') (resid 15 and segid A and name C3') (resid 15 and segid A and name O3') 1 82 15 2 assign (resid 16 and segid A and name C5') (resid 16 and segid A and name C4') (resid 16 and segid A and name C3') (resid 16 and segid A and name O3') 1 82 15 2 assign (resid 17 and segid A and name C5') (resid 17 and segid A and name C4') (resid 17 and segid A and name C3') (resid 17 and segid A and name O3') 1 82 15 2 assign (resid 18 and segid A and name C5') (resid 18 and segid A and name C4') (resid 18 and segid A and name C3') (resid 18 and segid A and name O3') 1 82 15 2 assign (resid 19 and segid A and name C5') (resid 19 and segid A and name C4') (resid 19 and segid A and name C3') (resid 19 and segid A and name O3') 1 82 15 2 assign (resid 20 and segid A and name C5') (resid 20 and segid A and name C4') (resid 20 and segid A and name C3') (resid 20 and segid A and name O3') 1 82 15 2 assign (resid 21 and segid A and name C5') (resid 21 and segid A and name C4') (resid 21 and segid A and name C3') (resid 21 and segid A and name O3') 1 145 15 2 !22 !23 assign (resid 24 and segid A and name C5') (resid 24 and segid A and name C4') (resid 24 and segid A and name C3') (resid 24 and segid A and name O3') 1 82 15 2 assign (resid 25 and segid A and name C5') (resid 25 and segid A and name C4') (resid 25 and segid A and name C3') (resid 25 and segid A and name O3') 1 82 15 2 assign (resid 26 and segid A and name C5') (resid 26 and segid A and name C4') (resid 26 and segid A and name C3') (resid 26 and segid A and name O3') 1 82 15 2 assign (resid 27 and segid A and name C5') (resid 27 and segid A and name C4') (resid 27 and segid A and name C3') (resid 27 and segid A and name O3') 1 82 15 2 assign (resid 28 and segid A and name C5') (resid 28 and segid A and name C4') (resid 28 and segid A and name C3') (resid 28 and segid A and name O3') 1 82 15 2 assign (resid 29 and segid A and name C5') (resid 29 and segid A and name C4') (resid 29 and segid A and name C3') (resid 29 and segid A and name O3') 1 82 15 2 assign (resid 30 and segid A and name C5') (resid 30 and segid A and name C4') (resid 30 and segid A and name C3') (resid 30 and segid A and name O3') 1 82 15 2 assign (resid 31 and segid A and name C5') (resid 31 and segid A and name C4') (resid 31 and segid A and name C3') (resid 31 and segid A and name O3') 1 82 15 2 assign (resid 32 and segid A and name C5') (resid 32 and segid A and name C4') (resid 32 and segid A and name C3') (resid 32 and segid A and name O3') 1 82 15 2 assign (resid 33 and segid A and name C5') (resid 33 and segid A and name C4') (resid 33 and segid A and name C3') (resid 33 and segid A and name O3') 1 82 15 2 assign (resid 34 and segid A and name C5') (resid 34 and segid A and name C4') (resid 34 and segid A and name C3') (resid 34 and segid A and name O3') 1 82 15 2 !35 !36 !37 !38 assign (resid 39 and segid A and name C5') (resid 39 and segid A and name C4') (resid 39 and segid A and name C3') (resid 39 and segid A and name O3') 1 82 15 2 assign (resid 40 and segid A and name C5') (resid 40 and segid A and name C4') (resid 40 and segid A and name C3') (resid 40 and segid A and name O3') 1 82 15 2 assign (resid 41 and segid A and name C5') (resid 41 and segid A and name C4') (resid 41 and segid A and name C3') (resid 41 and segid A and name O3') 1 82 15 2 assign (resid 42 and segid A and name C5') (resid 42 and segid A and name C4') (resid 42 and segid A and name C3') (resid 42 and segid A and name O3') 1 82 15 2 assign (resid 43 and segid A and name C5') (resid 43 and segid A and name C4') (resid 43 and segid A and name C3') (resid 43 and segid A and name O3') 1 82 15 2 assign (resid 44 and segid A and name C5') (resid 44 and segid A and name C4') (resid 44 and segid A and name C3') (resid 44 and segid A and name O3') 1 82 15 2 assign (resid 45 and segid A and name C5') (resid 45 and segid A and name C4') (resid 45 and segid A and name C3') (resid 45 and segid A and name O3') 1 82 15 2 ! Epsilon (C4' - C3' - O3' - P) assign (resid 1 and segid A and name C4') (resid 1 and segid A and name C3') (resid 1 and segid A and name O3') (resid 2 and segid A and name P) 1 -153 15 2 assign (resid 2 and segid A and name C4') (resid 2 and segid A and name C3') (resid 2 and segid A and name O3') (resid 3 and segid A and name P) 1 -153 15 2 assign (resid 3 and segid A and name C4') (resid 3 and segid A and name C3') (resid 3 and segid A and name O3') (resid 4 and segid A and name P) 1 -153 15 2 assign (resid 4 and segid A and name C4') (resid 4 and segid A and name C3') (resid 4 and segid A and name O3') (resid 5 and segid A and name P) 1 -153 15 2 assign (resid 5 and segid A and name C4') (resid 5 and segid A and name C3') (resid 5 and segid A and name O3') (resid 6 and segid A and name P) 1 -153 15 2 assign (resid 6 and segid A and name C4') (resid 6 and segid A and name C3') (resid 6 and segid A and name O3') (resid 7 and segid A and name P) 1 -153 15 2 !7 !8 assign (resid 9 and segid A and name C4') (resid 9 and segid A and name C3') (resid 9 and segid A and name O3') (resid 10 and segid A and name P) 1 -153 15 2 assign (resid 10 and segid A and name C4') (resid 10 and segid A and name C3') (resid 10 and segid A and name O3') (resid 11 and segid A and name P) 1 -153 15 2 assign (resid 11 and segid A and name C4') (resid 11 and segid A and name C3') (resid 11 and segid A and name O3') (resid 12 and segid A and name P) 1 -153 15 2 assign (resid 12 and segid A and name C4') (resid 12 and segid A and name C3') (resid 12 and segid A and name O3') (resid 13 and segid A and name P) 1 -153 15 2 assign (resid 13 and segid A and name C4') (resid 13 and segid A and name C3') (resid 13 and segid A and name O3') (resid 14 and segid A and name P) 1 -153 15 2 assign (resid 14 and segid A and name C4') (resid 14 and segid A and name C3') (resid 14 and segid A and name O3') (resid 15 and segid A and name P) 1 -153 15 2 assign (resid 15 and segid A and name C4') (resid 15 and segid A and name C3') (resid 15 and segid A and name O3') (resid 16 and segid A and name P) 1 -153 15 2 assign (resid 16 and segid A and name C4') (resid 16 and segid A and name C3') (resid 16 and segid A and name O3') (resid 17 and segid A and name P) 1 -153 15 2 assign (resid 17 and segid A and name C4') (resid 17 and segid A and name C3') (resid 17 and segid A and name O3') (resid 18 and segid A and name P) 1 -153 15 2 assign (resid 18 and segid A and name C4') (resid 18 and segid A and name C3') (resid 18 and segid A and name O3') (resid 19 and segid A and name P) 1 -153 15 2 !19 !20 !21 !22 !23 assign (resid 24 and segid A and name C4') (resid 24 and segid A and name C3') (resid 24 and segid A and name O3') (resid 25 and segid A and name P) 1 -153 15 2 assign (resid 25 and segid A and name C4') (resid 25 and segid A and name C3') (resid 25 and segid A and name O3') (resid 26 and segid A and name P) 1 -153 15 2 assign (resid 26 and segid A and name C4') (resid 26 and segid A and name C3') (resid 26 and segid A and name O3') (resid 27 and segid A and name P) 1 -153 15 2 assign (resid 27 and segid A and name C4') (resid 27 and segid A and name C3') (resid 27 and segid A and name O3') (resid 28 and segid A and name P) 1 -153 15 2 assign (resid 28 and segid A and name C4') (resid 28 and segid A and name C3') (resid 28 and segid A and name O3') (resid 29 and segid A and name P) 1 -153 15 2 assign (resid 29 and segid A and name C4') (resid 29 and segid A and name C3') (resid 29 and segid A and name O3') (resid 30 and segid A and name P) 1 -153 15 2 assign (resid 30 and segid A and name C4') (resid 30 and segid A and name C3') (resid 30 and segid A and name O3') (resid 31 and segid A and name P) 1 -153 15 2 assign (resid 31 and segid A and name C4') (resid 31 and segid A and name C3') (resid 31 and segid A and name O3') (resid 32 and segid A and name P) 1 -153 15 2 assign (resid 32 and segid A and name C4') (resid 32 and segid A and name C3') (resid 32 and segid A and name O3') (resid 33 and segid A and name P) 1 -153 15 2 assign (resid 33 and segid A and name C4') (resid 33 and segid A and name C3') (resid 33 and segid A and name O3') (resid 34 and segid A and name P) 1 -153 15 2 !34 !35 !36 !37 assign (resid 38 and segid A and name C4') (resid 38 and segid A and name C3') (resid 38 and segid A and name O3') (resid 39 and segid A and name P) 1 -153 15 2 assign (resid 39 and segid A and name C4') (resid 39 and segid A and name C3') (resid 39 and segid A and name O3') (resid 40 and segid A and name P) 1 -153 15 2 assign (resid 40 and segid A and name C4') (resid 40 and segid A and name C3') (resid 40 and segid A and name O3') (resid 41 and segid A and name P) 1 -153 15 2 assign (resid 41 and segid A and name C4') (resid 41 and segid A and name C3') (resid 41 and segid A and name O3') (resid 42 and segid A and name P) 1 -153 15 2 assign (resid 42 and segid A and name C4') (resid 42 and segid A and name C3') (resid 42 and segid A and name O3') (resid 43 and segid A and name P) 1 -153 15 2 assign (resid 43 and segid A and name C4') (resid 43 and segid A and name C3') (resid 43 and segid A and name O3') (resid 44 and segid A and name P) 1 -153 15 2 assign (resid 44 and segid A and name C4') (resid 44 and segid A and name C3') (resid 44 and segid A and name O3') (resid 45 and segid A and name P) 1 -153 15 2 ! Zeta (C3' - O3' - P - O5') assign (resid 1 and segid A and name C3') (resid 1 and segid A and name O3') (resid 2 and segid A and name P) (resid 2 and segid A and name O5') 1 -71 15 2 assign (resid 2 and segid A and name C3') (resid 2 and segid A and name O3') (resid 3 and segid A and name P) (resid 3 and segid A and name O5') 1 -71 15 2 assign (resid 3 and segid A and name C3') (resid 3 and segid A and name O3') (resid 4 and segid A and name P) (resid 4 and segid A and name O5') 1 -71 15 2 assign (resid 4 and segid A and name C3') (resid 4 and segid A and name O3') (resid 5 and segid A and name P) (resid 5 and segid A and name O5') 1 -71 15 2 assign (resid 5 and segid A and name C3') (resid 5 and segid A and name O3') (resid 6 and segid A and name P) (resid 6 and segid A and name O5') 1 -71 15 2 assign (resid 6 and segid A and name C3') (resid 6 and segid A and name O3') (resid 7 and segid A and name P) (resid 7 and segid A and name O5') 1 -71 15 2 !7 !8 assign (resid 9 and segid A and name C3') (resid 9 and segid A and name O3') (resid 10 and segid A and name P) (resid 10 and segid A and name O5') 1 -71 15 2 assign (resid 10 and segid A and name C3') (resid 10 and segid A and name O3') (resid 11 and segid A and name P) (resid 11 and segid A and name O5') 1 -71 15 2 assign (resid 11 and segid A and name C3') (resid 11 and segid A and name O3') (resid 12 and segid A and name P) (resid 12 and segid A and name O5') 1 -71 15 2 assign (resid 12 and segid A and name C3') (resid 12 and segid A and name O3') (resid 13 and segid A and name P) (resid 13 and segid A and name O5') 1 -71 15 2 assign (resid 13 and segid A and name C3') (resid 13 and segid A and name O3') (resid 14 and segid A and name P) (resid 14 and segid A and name O5') 1 -71 15 2 assign (resid 14 and segid A and name C3') (resid 14 and segid A and name O3') (resid 15 and segid A and name P) (resid 15 and segid A and name O5') 1 -71 15 2 assign (resid 15 and segid A and name C3') (resid 15 and segid A and name O3') (resid 16 and segid A and name P) (resid 16 and segid A and name O5') 1 -71 15 2 assign (resid 16 and segid A and name C3') (resid 16 and segid A and name O3') (resid 17 and segid A and name P) (resid 17 and segid A and name O5') 1 -71 15 2 assign (resid 17 and segid A and name C3') (resid 17 and segid A and name O3') (resid 18 and segid A and name P) (resid 18 and segid A and name O5') 1 -71 15 2 assign (resid 18 and segid A and name C3') (resid 18 and segid A and name O3') (resid 19 and segid A and name P) (resid 19 and segid A and name O5') 1 -71 15 2 !19 !20 !21 !22 !23 assign (resid 24 and segid A and name C3') (resid 24 and segid A and name O3') (resid 25 and segid A and name P) (resid 25 and segid A and name O5') 1 -71 15 2 assign (resid 25 and segid A and name C3') (resid 25 and segid A and name O3') (resid 26 and segid A and name P) (resid 26 and segid A and name O5') 1 -71 15 2 assign (resid 26 and segid A and name C3') (resid 26 and segid A and name O3') (resid 27 and segid A and name P) (resid 27 and segid A and name O5') 1 -71 15 2 assign (resid 27 and segid A and name C3') (resid 27 and segid A and name O3') (resid 28 and segid A and name P) (resid 28 and segid A and name O5') 1 -71 15 2 assign (resid 28 and segid A and name C3') (resid 28 and segid A and name O3') (resid 29 and segid A and name P) (resid 29 and segid A and name O5') 1 -71 15 2 assign (resid 29 and segid A and name C3') (resid 29 and segid A and name O3') (resid 30 and segid A and name P) (resid 30 and segid A and name O5') 1 -71 15 2 assign (resid 30 and segid A and name C3') (resid 30 and segid A and name O3') (resid 31 and segid A and name P) (resid 31 and segid A and name O5') 1 -71 15 2 assign (resid 31 and segid A and name C3') (resid 31 and segid A and name O3') (resid 32 and segid A and name P) (resid 32 and segid A and name O5') 1 -71 15 2 assign (resid 32 and segid A and name C3') (resid 32 and segid A and name O3') (resid 33 and segid A and name P) (resid 33 and segid A and name O5') 1 -71 15 2 assign (resid 33 and segid A and name C3') (resid 33 and segid A and name O3') (resid 34 and segid A and name P) (resid 34 and segid A and name O5') 1 -71 15 2 !34 !35 !36 !37 assign (resid 38 and segid A and name C3') (resid 38 and segid A and name O3') (resid 39 and segid A and name P) (resid 39 and segid A and name O5') 1 -71 15 2 assign (resid 39 and segid A and name C3') (resid 39 and segid A and name O3') (resid 40 and segid A and name P) (resid 40 and segid A and name O5') 1 -71 15 2 assign (resid 40 and segid A and name C3') (resid 40 and segid A and name O3') (resid 41 and segid A and name P) (resid 41 and segid A and name O5') 1 -71 15 2 assign (resid 41 and segid A and name C3') (resid 41 and segid A and name O3') (resid 42 and segid A and name P) (resid 42 and segid A and name O5') 1 -71 15 2 assign (resid 42 and segid A and name C3') (resid 42 and segid A and name O3') (resid 43 and segid A and name P) (resid 43 and segid A and name O5') 1 -71 15 2 assign (resid 43 and segid A and name C3') (resid 43 and segid A and name O3') (resid 44 and segid A and name P) (resid 44 and segid A and name O5') 1 -71 15 2 assign (resid 44 and segid A and name C3') (resid 44 and segid A and name O3') (resid 45 and segid A and name P) (resid 45 and segid A and name O5') 1 -71 15 2 ! Chi (O4' - C1' - N1/N9 - C2/C4) assign (resid 1 and segid A and name O4') (resid 1 and segid A and name C1') (resid 1 and segid A and name N9) (resid 1 and segid A and name C4) 1 -158 15 2 assign (resid 2 and segid A and name O4') (resid 2 and segid A and name C1') (resid 2 and segid A and name N9) (resid 2 and segid A and name C4) 1 -158 15 2 assign (resid 3 and segid A and name O4') (resid 3 and segid A and name C1') (resid 3 and segid A and name N9) (resid 3 and segid A and name C4) 1 -158 15 2 assign (resid 4 and segid A and name O4') (resid 4 and segid A and name C1') (resid 4 and segid A and name N9) (resid 4 and segid A and name C4) 1 -158 15 2 assign (resid 5 and segid A and name O4') (resid 5 and segid A and name C1') (resid 5 and segid A and name N9) (resid 5 and segid A and name C4) 1 -158 15 2 assign (resid 6 and segid A and name O4') (resid 6 and segid A and name C1') (resid 6 and segid A and name N9) (resid 6 and segid A and name C4) 1 -158 15 2 assign (resid 7 and segid A and name O4') (resid 7 and segid A and name C1') (resid 7 and segid A and name N9) (resid 7 and segid A and name C4) 1 -158 15 2 assign (resid 8 and segid A and name O4') (resid 8 and segid A and name C1') (resid 8 and segid A and name N1) (resid 8 and segid A and name C2) 1 -158 15 2 assign (resid 9 and segid A and name O4') (resid 9 and segid A and name C1') (resid 9 and segid A and name N1) (resid 9 and segid A and name C2) 1 -158 15 2 assign (resid 10 and segid A and name O4') (resid 10 and segid A and name C1') (resid 10 and segid A and name N1) (resid 10 and segid A and name C2) 1 -158 15 2 assign (resid 11 and segid A and name O4') (resid 11 and segid A and name C1') (resid 11 and segid A and name N9) (resid 11 and segid A and name C4) 1 -158 15 2 assign (resid 12 and segid A and name O4') (resid 12 and segid A and name C1') (resid 12 and segid A and name N9) (resid 12 and segid A and name C4) 1 -158 15 2 assign (resid 13 and segid A and name O4') (resid 13 and segid A and name C1') (resid 13 and segid A and name N1) (resid 13 and segid A and name C2) 1 -158 15 2 assign (resid 14 and segid A and name O4') (resid 14 and segid A and name C1') (resid 14 and segid A and name N1) (resid 14 and segid A and name C2) 1 -158 15 2 assign (resid 15 and segid A and name O4') (resid 15 and segid A and name C1') (resid 15 and segid A and name N1) (resid 15 and segid A and name C2) 1 -158 15 2 assign (resid 16 and segid A and name O4') (resid 16 and segid A and name C1') (resid 16 and segid A and name N1) (resid 16 and segid A and name C2) 1 -158 15 2 assign (resid 17 and segid A and name O4') (resid 17 and segid A and name C1') (resid 17 and segid A and name N1) (resid 17 and segid A and name C2) 1 -158 15 2 assign (resid 18 and segid A and name O4') (resid 18 and segid A and name C1') (resid 18 and segid A and name N1) (resid 18 and segid A and name C2) 1 -158 15 2 assign (resid 19 and segid A and name O4') (resid 19 and segid A and name C1') (resid 19 and segid A and name N1) (resid 19 and segid A and name C2) 1 -158 15 2 assign (resid 20 and segid A and name O4') (resid 20 and segid A and name C1') (resid 20 and segid A and name N9) (resid 20 and segid A and name C4) 1 -158 15 2 assign (resid 21 and segid A and name O4') (resid 21 and segid A and name C1') (resid 21 and segid A and name N1) (resid 21 and segid A and name C2) 1 -125 30 2 assign (resid 22 and segid A and name O4') (resid 22 and segid A and name C1') (resid 22 and segid A and name N9) (resid 22 and segid A and name C4) 1 180 90 2 assign (resid 23 and segid A and name O4') (resid 23 and segid A and name C1') (resid 23 and segid A and name N9) (resid 23 and segid A and name C4) 1 180 90 2 assign (resid 24 and segid A and name O4') (resid 24 and segid A and name C1') (resid 24 and segid A and name N9) (resid 24 and segid A and name C4) 1 -158 15 2 assign (resid 25 and segid A and name O4') (resid 25 and segid A and name C1') (resid 25 and segid A and name N9) (resid 25 and segid A and name C4) 1 -158 15 2 assign (resid 26 and segid A and name O4') (resid 26 and segid A and name C1') (resid 26 and segid A and name N9) (resid 26 and segid A and name C4) 1 -158 15 2 assign (resid 27 and segid A and name O4') (resid 27 and segid A and name C1') (resid 27 and segid A and name N9) (resid 27 and segid A and name C4) 1 -158 15 2 assign (resid 28 and segid A and name O4') (resid 28 and segid A and name C1') (resid 28 and segid A and name N9) (resid 28 and segid A and name C4) 1 -158 15 2 assign (resid 29 and segid A and name O4') (resid 29 and segid A and name C1') (resid 29 and segid A and name N9) (resid 29 and segid A and name C4) 1 -158 15 2 assign (resid 30 and segid A and name O4') (resid 30 and segid A and name C1') (resid 30 and segid A and name N9) (resid 30 and segid A and name C4) 1 -158 15 2 assign (resid 31 and segid A and name O4') (resid 31 and segid A and name C1') (resid 31 and segid A and name N1) (resid 31 and segid A and name C2) 1 -158 15 2 assign (resid 32 and segid A and name O4') (resid 32 and segid A and name C1') (resid 32 and segid A and name N1) (resid 32 and segid A and name C2) 1 -158 15 2 assign (resid 33 and segid A and name O4') (resid 33 and segid A and name C1') (resid 33 and segid A and name N9) (resid 33 and segid A and name C4) 1 -158 15 2 assign (resid 34 and segid A and name O4') (resid 34 and segid A and name C1') (resid 34 and segid A and name N9) (resid 34 and segid A and name C4) 1 -158 15 2 assign (resid 35 and segid A and name O4') (resid 35 and segid A and name C1') (resid 35 and segid A and name N9) (resid 35 and segid A and name C4) 1 180 90 2 assign (resid 36 and segid A and name O4') (resid 36 and segid A and name C1') (resid 36 and segid A and name N9) (resid 36 and segid A and name C4) 1 180 90 2 assign (resid 37 and segid A and name O4') (resid 37 and segid A and name C1') (resid 37 and segid A and name N9) (resid 37 and segid A and name C4) 1 180 90 2 assign (resid 38 and segid A and name O4') (resid 38 and segid A and name C1') (resid 38 and segid A and name N9) (resid 38 and segid A and name C4) 1 -158 15 2 assign (resid 39 and segid A and name O4') (resid 39 and segid A and name C1') (resid 39 and segid A and name N1) (resid 39 and segid A and name C2) 1 -158 15 2 assign (resid 40 and segid A and name O4') (resid 40 and segid A and name C1') (resid 40 and segid A and name N1) (resid 40 and segid A and name C2) 1 -158 15 2 assign (resid 41 and segid A and name O4') (resid 41 and segid A and name C1') (resid 41 and segid A and name N1) (resid 41 and segid A and name C2) 1 -158 15 2 assign (resid 42 and segid A and name O4') (resid 42 and segid A and name C1') (resid 42 and segid A and name N1) (resid 42 and segid A and name C2) 1 -158 15 2 assign (resid 43 and segid A and name O4') (resid 43 and segid A and name C1') (resid 43 and segid A and name N1) (resid 43 and segid A and name C2) 1 -158 15 2 assign (resid 44 and segid A and name O4') (resid 44 and segid A and name C1') (resid 44 and segid A and name N1) (resid 44 and segid A and name C2) 1 -158 15 2 assign (resid 45 and segid A and name O4') (resid 45 and segid A and name C1') (resid 45 and segid A and name N1) (resid 45 and segid A and name C2) 1 -158 15 2 ! Nu1 & Nu2 (O4' - C1' - C2' - C3') & (C1' - C2' - C3' - C4') assign (resid 1 and segid A and name O4') (resid 1 and segid A and name C1') (resid 1 and segid A and name C2') (resid 1 and segid A and name C3') 1 -25 15 2 assign (resid 1 and segid A and name C1') (resid 1 and segid A and name C2') (resid 1 and segid A and name C3') (resid 1 and segid A and name C4') 1 36 15 2 assign (resid 2 and segid A and name O4') (resid 2 and segid A and name C1') (resid 2 and segid A and name C2') (resid 2 and segid A and name C3') 1 -25 15 2 assign (resid 2 and segid A and name C1') (resid 2 and segid A and name C2') (resid 2 and segid A and name C3') (resid 2 and segid A and name C4') 1 36 15 2 assign (resid 3 and segid A and name O4') (resid 3 and segid A and name C1') (resid 3 and segid A and name C2') (resid 3 and segid A and name C3') 1 -25 15 2 assign (resid 3 and segid A and name C1') (resid 3 and segid A and name C2') (resid 3 and segid A and name C3') (resid 3 and segid A and name C4') 1 36 15 2 assign (resid 4 and segid A and name O4') (resid 4 and segid A and name C1') (resid 4 and segid A and name C2') (resid 4 and segid A and name C3') 1 -25 15 2 assign (resid 4 and segid A and name C1') (resid 4 and segid A and name C2') (resid 4 and segid A and name C3') (resid 4 and segid A and name C4') 1 36 15 2 assign (resid 5 and segid A and name O4') (resid 5 and segid A and name C1') (resid 5 and segid A and name C2') (resid 5 and segid A and name C3') 1 -25 15 2 assign (resid 5 and segid A and name C1') (resid 5 and segid A and name C2') (resid 5 and segid A and name C3') (resid 5 and segid A and name C4') 1 36 15 2 assign (resid 6 and segid A and name O4') (resid 6 and segid A and name C1') (resid 6 and segid A and name C2') (resid 6 and segid A and name C3') 1 -25 15 2 assign (resid 6 and segid A and name C1') (resid 6 and segid A and name C2') (resid 6 and segid A and name C3') (resid 6 and segid A and name C4') 1 36 15 2 assign (resid 7 and segid A and name O4') (resid 7 and segid A and name C1') (resid 7 and segid A and name C2') (resid 7 and segid A and name C3') 1 -25 15 2 assign (resid 7 and segid A and name C1') (resid 7 and segid A and name C2') (resid 7 and segid A and name C3') (resid 7 and segid A and name C4') 1 36 15 2 assign (resid 8 and segid A and name O4') (resid 8 and segid A and name C1') (resid 8 and segid A and name C2') (resid 8 and segid A and name C3') 1 -25 15 2 assign (resid 8 and segid A and name C1') (resid 8 and segid A and name C2') (resid 8 and segid A and name C3') (resid 8 and segid A and name C4') 1 36 15 2 assign (resid 9 and segid A and name O4') (resid 9 and segid A and name C1') (resid 9 and segid A and name C2') (resid 9 and segid A and name C3') 1 -25 15 2 assign (resid 9 and segid A and name C1') (resid 9 and segid A and name C2') (resid 9 and segid A and name C3') (resid 9 and segid A and name C4') 1 36 15 2 assign (resid 10 and segid A and name O4') (resid 10 and segid A and name C1') (resid 10 and segid A and name C2') (resid 10 and segid A and name C3') 1 -25 15 2 assign (resid 10 and segid A and name C1') (resid 10 and segid A and name C2') (resid 10 and segid A and name C3') (resid 10 and segid A and name C4') 1 36 15 2 assign (resid 11 and segid A and name O4') (resid 11 and segid A and name C1') (resid 11 and segid A and name C2') (resid 11 and segid A and name C3') 1 -25 15 2 assign (resid 11 and segid A and name C1') (resid 11 and segid A and name C2') (resid 11 and segid A and name C3') (resid 11 and segid A and name C4') 1 36 15 2 assign (resid 12 and segid A and name O4') (resid 12 and segid A and name C1') (resid 12 and segid A and name C2') (resid 12 and segid A and name C3') 1 -25 15 2 assign (resid 12 and segid A and name C1') (resid 12 and segid A and name C2') (resid 12 and segid A and name C3') (resid 12 and segid A and name C4') 1 36 15 2 assign (resid 13 and segid A and name O4') (resid 13 and segid A and name C1') (resid 13 and segid A and name C2') (resid 13 and segid A and name C3') 1 -25 15 2 assign (resid 13 and segid A and name C1') (resid 13 and segid A and name C2') (resid 13 and segid A and name C3') (resid 13 and segid A and name C4') 1 36 15 2 assign (resid 14 and segid A and name O4') (resid 14 and segid A and name C1') (resid 14 and segid A and name C2') (resid 14 and segid A and name C3') 1 -25 15 2 assign (resid 14 and segid A and name C1') (resid 14 and segid A and name C2') (resid 14 and segid A and name C3') (resid 14 and segid A and name C4') 1 36 15 2 assign (resid 15 and segid A and name O4') (resid 15 and segid A and name C1') (resid 15 and segid A and name C2') (resid 15 and segid A and name C3') 1 -25 15 2 assign (resid 15 and segid A and name C1') (resid 15 and segid A and name C2') (resid 15 and segid A and name C3') (resid 15 and segid A and name C4') 1 36 15 2 assign (resid 16 and segid A and name O4') (resid 16 and segid A and name C1') (resid 16 and segid A and name C2') (resid 16 and segid A and name C3') 1 -25 15 2 assign (resid 16 and segid A and name C1') (resid 16 and segid A and name C2') (resid 16 and segid A and name C3') (resid 16 and segid A and name C4') 1 36 15 2 assign (resid 17 and segid A and name O4') (resid 17 and segid A and name C1') (resid 17 and segid A and name C2') (resid 17 and segid A and name C3') 1 -25 15 2 assign (resid 17 and segid A and name C1') (resid 17 and segid A and name C2') (resid 17 and segid A and name C3') (resid 17 and segid A and name C4') 1 36 15 2 assign (resid 18 and segid A and name O4') (resid 18 and segid A and name C1') (resid 18 and segid A and name C2') (resid 18 and segid A and name C3') 1 -25 15 2 assign (resid 18 and segid A and name C1') (resid 18 and segid A and name C2') (resid 18 and segid A and name C3') (resid 18 and segid A and name C4') 1 36 15 2 assign (resid 19 and segid A and name O4') (resid 19 and segid A and name C1') (resid 19 and segid A and name C2') (resid 19 and segid A and name C3') 1 -25 15 2 assign (resid 19 and segid A and name C1') (resid 19 and segid A and name C2') (resid 19 and segid A and name C3') (resid 19 and segid A and name C4') 1 36 15 2 assign (resid 20 and segid A and name O4') (resid 20 and segid A and name C1') (resid 20 and segid A and name C2') (resid 20 and segid A and name C3') 1 -25 15 2 assign (resid 20 and segid A and name C1') (resid 20 and segid A and name C2') (resid 20 and segid A and name C3') (resid 20 and segid A and name C4') 1 36 15 2 assign (resid 21 and segid A and name O4') (resid 21 and segid A and name C1') (resid 21 and segid A and name C2') (resid 21 and segid A and name C3') 1 35 15 2 assign (resid 21 and segid A and name C1') (resid 21 and segid A and name C2') (resid 21 and segid A and name C3') (resid 21 and segid A and name C4') 1 -35 15 2 !22 !23 assign (resid 24 and segid A and name O4') (resid 24 and segid A and name C1') (resid 24 and segid A and name C2') (resid 24 and segid A and name C3') 1 -25 15 2 assign (resid 24 and segid A and name C1') (resid 24 and segid A and name C2') (resid 24 and segid A and name C3') (resid 24 and segid A and name C4') 1 36 15 2 assign (resid 25 and segid A and name O4') (resid 25 and segid A and name C1') (resid 25 and segid A and name C2') (resid 25 and segid A and name C3') 1 -25 15 2 assign (resid 25 and segid A and name C1') (resid 25 and segid A and name C2') (resid 25 and segid A and name C3') (resid 25 and segid A and name C4') 1 36 15 2 assign (resid 26 and segid A and name O4') (resid 26 and segid A and name C1') (resid 26 and segid A and name C2') (resid 26 and segid A and name C3') 1 -25 15 2 assign (resid 26 and segid A and name C1') (resid 26 and segid A and name C2') (resid 26 and segid A and name C3') (resid 26 and segid A and name C4') 1 36 15 2 assign (resid 27 and segid A and name O4') (resid 27 and segid A and name C1') (resid 27 and segid A and name C2') (resid 27 and segid A and name C3') 1 -25 15 2 assign (resid 27 and segid A and name C1') (resid 27 and segid A and name C2') (resid 27 and segid A and name C3') (resid 27 and segid A and name C4') 1 36 15 2 assign (resid 28 and segid A and name O4') (resid 28 and segid A and name C1') (resid 28 and segid A and name C2') (resid 28 and segid A and name C3') 1 -25 15 2 assign (resid 28 and segid A and name C1') (resid 28 and segid A and name C2') (resid 28 and segid A and name C3') (resid 28 and segid A and name C4') 1 36 15 2 assign (resid 29 and segid A and name O4') (resid 29 and segid A and name C1') (resid 29 and segid A and name C2') (resid 29 and segid A and name C3') 1 -25 15 2 assign (resid 29 and segid A and name C1') (resid 29 and segid A and name C2') (resid 29 and segid A and name C3') (resid 29 and segid A and name C4') 1 36 15 2 assign (resid 30 and segid A and name O4') (resid 30 and segid A and name C1') (resid 30 and segid A and name C2') (resid 30 and segid A and name C3') 1 -25 15 2 assign (resid 30 and segid A and name C1') (resid 30 and segid A and name C2') (resid 30 and segid A and name C3') (resid 30 and segid A and name C4') 1 36 15 2 assign (resid 31 and segid A and name O4') (resid 31 and segid A and name C1') (resid 31 and segid A and name C2') (resid 31 and segid A and name C3') 1 -25 15 2 assign (resid 31 and segid A and name C1') (resid 31 and segid A and name C2') (resid 31 and segid A and name C3') (resid 31 and segid A and name C4') 1 36 15 2 assign (resid 32 and segid A and name O4') (resid 32 and segid A and name C1') (resid 32 and segid A and name C2') (resid 32 and segid A and name C3') 1 -25 15 2 assign (resid 32 and segid A and name C1') (resid 32 and segid A and name C2') (resid 32 and segid A and name C3') (resid 32 and segid A and name C4') 1 36 15 2 assign (resid 33 and segid A and name O4') (resid 33 and segid A and name C1') (resid 33 and segid A and name C2') (resid 33 and segid A and name C3') 1 -25 15 2 assign (resid 33 and segid A and name C1') (resid 33 and segid A and name C2') (resid 33 and segid A and name C3') (resid 33 and segid A and name C4') 1 36 15 2 assign (resid 34 and segid A and name O4') (resid 34 and segid A and name C1') (resid 34 and segid A and name C2') (resid 34 and segid A and name C3') 1 -25 15 2 assign (resid 34 and segid A and name C1') (resid 34 and segid A and name C2') (resid 34 and segid A and name C3') (resid 34 and segid A and name C4') 1 36 15 2 !35 !36 !37 !38 assign (resid 39 and segid A and name O4') (resid 39 and segid A and name C1') (resid 39 and segid A and name C2') (resid 39 and segid A and name C3') 1 -25 15 2 assign (resid 39 and segid A and name C1') (resid 39 and segid A and name C2') (resid 39 and segid A and name C3') (resid 39 and segid A and name C4') 1 36 15 2 assign (resid 40 and segid A and name O4') (resid 40 and segid A and name C1') (resid 40 and segid A and name C2') (resid 40 and segid A and name C3') 1 -25 15 2 assign (resid 40 and segid A and name C1') (resid 40 and segid A and name C2') (resid 40 and segid A and name C3') (resid 40 and segid A and name C4') 1 36 15 2 assign (resid 41 and segid A and name O4') (resid 41 and segid A and name C1') (resid 41 and segid A and name C2') (resid 41 and segid A and name C3') 1 -25 15 2 assign (resid 41 and segid A and name C1') (resid 41 and segid A and name C2') (resid 41 and segid A and name C3') (resid 41 and segid A and name C4') 1 36 15 2 assign (resid 42 and segid A and name O4') (resid 42 and segid A and name C1') (resid 42 and segid A and name C2') (resid 42 and segid A and name C3') 1 -25 15 2 assign (resid 42 and segid A and name C1') (resid 42 and segid A and name C2') (resid 42 and segid A and name C3') (resid 42 and segid A and name C4') 1 36 15 2 assign (resid 43 and segid A and name O4') (resid 43 and segid A and name C1') (resid 43 and segid A and name C2') (resid 43 and segid A and name C3') 1 -25 15 2 assign (resid 43 and segid A and name C1') (resid 43 and segid A and name C2') (resid 43 and segid A and name C3') (resid 43 and segid A and name C4') 1 36 15 2 assign (resid 44 and segid A and name O4') (resid 44 and segid A and name C1') (resid 44 and segid A and name C2') (resid 44 and segid A and name C3') 1 -25 15 2 assign (resid 44 and segid A and name C1') (resid 44 and segid A and name C2') (resid 44 and segid A and name C3') (resid 44 and segid A and name C4') 1 36 15 2 assign (resid 45 and segid A and name O4') (resid 45 and segid A and name C1') (resid 45 and segid A and name C2') (resid 45 and segid A and name C3') 1 -25 15 2 assign (resid 45 and segid A and name C1') (resid 45 and segid A and name C2') (resid 45 and segid A and name C3') (resid 45 and segid A and name C4') 1 36 15 2assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 1 and name C8 ) ( resid 1 and name H8 ) 28.23 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 3 and name C8 ) ( resid 3 and name H8 ) 56.10 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 7 and name C2 ) ( resid 7 and name H2 ) 46.78 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 7 and name C8 ) ( resid 7 and name H8 ) 35.68 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 8 and name C5 ) ( resid 8 and name H5 ) 44.04 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 8 and name C6 ) ( resid 8 and name H6 ) 3.92 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 38 and name C2 ) ( resid 38 and name H2 ) -7.33 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 38 and name C8 ) ( resid 38 and name H8 ) -3.70 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 39 and name C5 ) ( resid 39 and name H5 ) 3.18 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 40 and name C5 ) ( resid 40 and name H5 ) -2.94 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 44 and name C5 ) ( resid 44 and name H5 ) 5.79 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 6 and name C1' ) ( resid 6 and name H1' ) -8.65 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 9 and name C5 ) ( resid 9 and name H5 ) 36.37 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 10 and name C5 ) ( resid 10 and name H5 ) 38.32 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 12 and name C8 ) ( resid 12 and name H8 ) 35.19 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 18 and name C5 ) ( resid 18 and name H5 ) 33.29 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 19 and name C5 ) ( resid 19 and name H5 ) 4.84 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 20 and name C8 ) ( resid 20 and name H8 ) 30.66 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 21 and name C6 ) ( resid 21 and name H6 ) 23.52 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 22 and name C2 ) ( resid 22 and name H2 ) 20.62 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 22 and name C8 ) ( resid 22 and name H8 ) 21.36 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 23 and name C2 ) ( resid 23 and name H2 ) 14.69 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 23 and name C8 ) ( resid 23 and name H8 ) 19.35 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 24 and name C8 ) ( resid 24 and name H8 ) 37.76 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 25 and name C8 ) ( resid 25 and name H8 ) 35.33 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 26 and name C8 ) ( resid 26 and name H8 ) 25.67 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 29 and name C8 ) ( resid 29 and name H8 ) 28.83 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 30 and name C8 ) ( resid 30 and name H8 ) 39.78 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 33 and name C2 ) ( resid 33 and name H2 ) 41.60 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 33 and name C8 ) ( resid 33 and name H8 ) 25.23 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 21 and name C1' ) ( resid 21 and name H1' ) 5.62 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 22 and name C1' ) ( resid 22 and name H1' ) 6.19 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 23 and name C1' ) ( resid 23 and name H1' ) 8.66 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 34 and name C1' ) ( resid 34 and name H1' ) -3.12 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 35 and name C8 ) ( resid 35 and name H8 ) 28.08 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 36 and name C8 ) ( resid 36 and name H8 ) 19.42 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 37 and name C2 ) ( resid 37 and name H2 ) 3.68 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 37 and name C8 ) ( resid 37 and name H8 ) -4.33 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 35 and name C1' ) ( resid 35 and name H1' ) 3.09 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 36 and name C1' ) ( resid 36 and name H1' ) 20.99 5.00 5.00 assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 37 and name C1' ) ( resid 37 and name H1' ) -13.88 5.00 5.00 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H5' G 1 1H5' G 1 -26.372 2.483 -7.418 2 H5'' G 1 2H5' G 1 -26.128 2.471 -9.178 3 H4' G 1 H4' G 1 -27.604 4.393 -9.379 4 H3' G 1 H3' G 1 -27.284 5.065 -6.922 5 H2' G 1 1H2' G 1 -27.602 3.015 -5.820 6 HO2' G 1 2HO' G 1 -29.324 4.448 -4.976 7 H1' G 1 H1' G 1 -30.106 2.242 -7.218 8 H8 G 1 H8 G 1 -26.848 0.574 -8.248 9 H1 G 1 H1 G 1 -29.691 -2.140 -3.180 10 H21 G 1 1H2 G 1 -31.750 0.711 -3.278 11 H22 G 1 2H2 G 1 -31.285 -0.740 -2.401 12 HO5' G 1 H5T G 1 -24.110 3.994 -5.911 13 H5' G 2 1H5' G 2 -27.561 6.904 -4.355 14 H5'' G 2 2H5' G 2 -27.541 5.251 -4.975 15 H4' G 2 H4' G 2 -28.846 6.161 -2.375 16 H3' G 2 H3' G 2 -26.420 4.477 -3.090 17 H2' G 2 1H2' G 2 -26.614 3.698 -0.799 18 HO2' G 2 2HO' G 2 -28.203 4.613 0.581 19 H1' G 2 H1' G 2 -29.349 3.341 -1.068 20 H8 G 2 H8 G 2 -27.838 2.173 -4.257 21 H1 G 2 H1 G 2 -26.272 -1.656 0.631 22 H21 G 2 1H2 G 2 -27.931 0.712 2.574 23 H22 G 2 2H2 G 2 -27.071 -0.814 2.535 24 H5' G 3 1H5' G 3 -25.992 6.145 0.655 25 H5'' G 3 2H5' G 3 -24.332 6.585 1.082 26 H4' G 3 H4' G 3 -25.486 5.054 2.720 27 H3' G 3 H3' G 3 -22.973 4.019 1.385 28 H2' G 3 1H2' G 3 -23.106 2.266 3.090 29 HO2' G 3 2HO' G 3 -23.929 3.670 4.789 30 H1' G 3 H1' G 3 -25.755 1.787 2.598 31 H8 G 3 H8 G 3 -24.388 2.566 -0.800 32 H1 G 3 H1 G 3 -22.542 -3.126 1.555 33 H21 G 3 1H2 G 3 -23.687 -1.832 4.581 34 H22 G 3 2H2 G 3 -22.920 -3.173 3.758 35 H5' A 4 1H5' A 4 -22.548 3.871 5.721 36 H5'' A 4 2H5' A 4 -20.927 4.454 6.141 37 H4' A 4 H4' A 4 -21.403 2.292 7.228 38 H3' A 4 H3' A 4 -19.277 2.254 5.074 39 H2' A 4 1H2' A 4 -18.811 -0.015 5.838 40 HO2' A 4 2HO' A 4 -19.198 0.440 8.115 41 H1' A 4 H1' A 4 -21.430 -0.747 5.854 42 H8 A 4 H8 A 4 -21.020 1.707 2.992 43 H61 A 4 2H6 A 4 -18.806 -3.091 -0.263 44 H62 A 4 1H6 A 4 -19.361 -1.433 -0.357 45 H2 A 4 H2 A 4 -19.080 -4.322 3.996 46 H5' A 5 1H5' A 5 -17.658 0.507 8.695 47 H5'' A 5 2H5' A 5 -15.993 1.078 8.913 48 H4' A 5 H4' A 5 -16.111 -1.382 8.992 49 H3' A 5 H3' A 5 -14.690 -0.204 6.590 50 H2' A 5 1H2' A 5 -13.995 -2.491 6.124 51 HO2' A 5 2HO' A 5 -13.722 -3.117 8.369 52 H1' A 5 H1' A 5 -16.494 -3.512 6.449 53 H8 A 5 H8 A 5 -16.784 0.014 5.013 54 H61 A 5 2H6 A 5 -15.771 -2.622 -0.513 55 H62 A 5 1H6 A 5 -16.217 -1.139 0.313 56 H2 A 5 H2 A 5 -15.058 -5.684 2.627 57 H5' G 6 1H5' G 6 -12.071 -3.020 8.581 58 H5'' G 6 2H5' G 6 -10.394 -2.448 8.502 59 H4' G 6 H4' G 6 -10.650 -4.730 7.551 60 H3' G 6 H3' G 6 -9.903 -2.533 5.604 61 H2' G 6 1H2' G 6 -9.534 -4.350 4.012 62 HO2' G 6 2HO' G 6 -8.697 -5.854 5.638 63 H1' G 6 H1' G 6 -11.909 -5.543 4.558 64 H8 G 6 H8 G 6 -12.363 -1.769 4.958 65 H1 G 6 H1 G 6 -12.282 -3.778 -1.144 66 H21 G 6 1H2 G 6 -11.267 -6.816 0.252 67 H22 G 6 2H2 G 6 -11.618 -5.917 -1.209 68 H5' A 7 1H5' A 7 -7.105 -5.688 5.089 69 H5'' A 7 2H5' A 7 -5.473 -5.036 4.843 70 H4' A 7 H4' A 7 -6.187 -6.541 2.995 71 H3' A 7 H3' A 7 -5.731 -3.624 2.319 72 H2' A 7 1H2' A 7 -6.051 -4.286 -0.004 73 HO2' A 7 2HO' A 7 -4.943 -6.361 0.249 74 H1' A 7 H1' A 7 -8.266 -5.791 0.486 75 H8 A 7 H8 A 7 -8.476 -2.888 2.903 76 H61 A 7 2H6 A 7 -10.654 0.435 -1.870 77 H62 A 7 1H6 A 7 -10.388 0.426 -0.139 78 H2 A 7 H2 A 7 -9.032 -3.369 -3.468 79 H5' U 8 1H5' U 8 -3.580 -5.957 -0.452 80 H5'' U 8 2H5' U 8 -1.982 -5.259 -0.799 81 H4' U 8 H4' U 8 -3.364 -5.587 -2.865 82 H3' U 8 H3' U 8 -2.609 -2.775 -2.043 83 H2' U 8 1H2' U 8 -3.694 -1.989 -4.032 84 HO2' U 8 2HO' U 8 -2.766 -3.790 -5.327 85 H1' U 8 H1' U 8 -5.815 -3.815 -3.967 86 H3 U 8 H3 U 8 -7.347 0.470 -3.665 87 H5 U 8 H5 U 8 -6.137 -0.517 0.232 88 H6 U 8 H6 U 8 -5.168 -2.546 -0.626 89 H5' C 9 1H5' C 9 -2.206 -2.026 -5.747 90 H5'' C 9 2H5' C 9 -0.576 -1.430 -6.117 91 H4' C 9 H4' C 9 -2.299 0.241 -6.726 92 H3' C 9 H3' C 9 -0.301 0.805 -4.557 93 H2' C 9 1H2' C 9 -1.317 2.846 -4.020 94 HO2' C 9 2HO' C 9 -1.268 3.622 -6.200 95 H1' C 9 H1' C 9 -3.942 2.248 -4.874 96 H41 C 9 2H4 C 9 -4.652 2.571 1.419 97 H42 C 9 1H4 C 9 -3.759 1.077 1.608 98 H5 C 9 H5 C 9 -2.510 0.032 -0.198 99 H6 C 9 H6 C 9 -2.115 0.036 -2.562 100 H5' U 10 1H5' U 10 -0.537 4.251 -7.659 101 H5'' U 10 2H5' U 10 1.173 4.612 -7.954 102 H4' U 10 H4' U 10 0.033 6.708 -7.604 103 H3' U 10 H3' U 10 1.658 5.853 -5.191 104 H2' U 10 1H2' U 10 1.266 8.119 -4.402 105 HO2' U 10 2HO' U 10 1.449 9.085 -6.565 106 H1' U 10 H1' U 10 -1.404 8.064 -5.068 107 H3 U 10 H3 U 10 -0.808 7.920 -0.505 108 H5 U 10 H5 U 10 -0.678 3.927 -1.805 109 H6 U 10 H6 U 10 -0.618 4.719 -4.078 110 H5' G 11 1H5' G 11 2.976 9.590 -5.785 111 H5'' G 11 2H5' G 11 4.751 9.627 -5.850 112 H4' G 11 H4' G 11 3.944 11.199 -4.158 113 H3' G 11 H3' G 11 5.233 8.707 -2.996 114 H2' G 11 1H2' G 11 5.204 9.954 -0.908 115 HO2' G 11 2HO' G 11 4.551 12.136 -0.897 116 H1' G 11 H1' G 11 2.614 10.815 -1.285 117 H8 G 11 H8 G 11 2.690 7.242 -2.507 118 H1 G 11 H1 G 11 2.927 7.770 3.893 119 H21 G 11 1H2 G 11 3.478 11.146 3.246 120 H22 G 11 2H2 G 11 3.310 9.894 4.457 121 H5' G 12 1H5' G 12 7.261 12.219 -1.572 122 H5'' G 12 2H5' G 12 9.014 11.934 -1.581 123 H4' G 12 H4' G 12 8.325 12.757 0.615 124 H3' G 12 H3' G 12 9.069 9.818 0.566 125 H2' G 12 1H2' G 12 8.943 9.935 2.983 126 HO2' G 12 2HO' G 12 9.837 12.134 3.114 127 H1' G 12 H1' G 12 6.545 11.227 2.987 128 H8 G 12 H8 G 12 6.704 8.831 0.028 129 H1 G 12 H1 G 12 5.642 5.999 5.683 130 H21 G 12 1H2 G 12 6.423 9.128 6.998 131 H22 G 12 2H2 G 12 5.980 7.466 7.329 132 H5' C 13 1H5' C 13 11.349 11.511 3.699 133 H5'' C 13 2H5' C 13 12.996 10.859 3.657 134 H4' C 13 H4' C 13 11.919 10.530 5.867 135 H3' C 13 H3' C 13 12.457 7.988 4.301 136 H2' C 13 1H2' C 13 11.890 6.863 6.380 137 HO2' C 13 2HO' C 13 12.933 8.446 7.775 138 H1' C 13 H1' C 13 9.693 8.444 6.843 139 H41 C 13 2H4 C 13 7.724 3.150 3.992 140 H42 C 13 1H4 C 13 8.159 3.800 2.428 141 H5 C 13 H5 C 13 9.263 5.975 2.155 142 H6 C 13 H6 C 13 10.191 7.870 3.305 143 H5' C 14 1H5' C 14 14.273 7.743 8.238 144 H5'' C 14 2H5' C 14 15.797 6.848 8.141 145 H4' C 14 H4' C 14 14.202 5.892 9.813 146 H3' C 14 H3' C 14 14.914 4.161 7.431 147 H2' C 14 1H2' C 14 13.745 2.392 8.617 148 HO2' C 14 2HO' C 14 14.539 2.998 10.734 149 H1' C 14 H1' C 14 11.658 3.994 9.387 150 H41 C 14 2H4 C 14 9.659 1.031 4.180 151 H42 C 14 1H4 C 14 10.617 2.069 3.153 152 H5 C 14 H5 C 14 12.140 3.771 4.031 153 H6 C 14 H6 C 14 13.019 4.767 6.061 154 H5' U 15 1H5' U 15 15.644 2.035 11.286 155 H5'' U 15 2H5' U 15 17.175 1.156 11.113 156 H4' U 15 H4' U 15 15.397 -0.335 11.944 157 H3' U 15 H3' U 15 16.409 -0.875 9.142 158 H2' U 15 1H2' U 15 15.088 -2.898 9.217 159 HO2' U 15 2HO' U 15 14.076 -3.537 11.161 160 H1' U 15 H1' U 15 12.891 -1.690 10.327 161 H3 U 15 H3 U 15 11.637 -2.615 6.090 162 H5 U 15 H5 U 15 13.840 0.946 5.852 163 H6 U 15 H6 U 15 14.546 0.619 8.122 164 H5' U 16 1H5' U 16 16.597 -4.535 11.483 165 H5'' U 16 2H5' U 16 18.141 -5.344 11.151 166 H4' U 16 H4' U 16 16.329 -6.926 10.767 167 H3' U 16 H3' U 16 17.646 -5.899 8.241 168 H2' U 16 1H2' U 16 16.328 -7.532 7.058 169 HO2' U 16 2HO' U 16 16.574 -9.210 8.702 170 H1' U 16 H1' U 16 14.013 -7.006 8.442 171 H3 U 16 H3 U 16 13.199 -5.250 4.369 172 H5 U 16 H5 U 16 15.833 -2.543 6.202 173 H6 U 16 H6 U 16 16.134 -4.099 7.985 174 H5' C 17 1H5' C 17 17.781 -10.213 8.024 175 H5'' C 17 2H5' C 17 19.377 -10.691 7.414 176 H4' C 17 H4' C 17 17.591 -11.661 6.026 177 H3' C 17 H3' C 17 19.218 -9.482 4.683 178 H2' C 17 1H2' C 17 18.060 -10.163 2.647 179 HO2' C 17 2HO' C 17 18.061 -12.467 3.210 180 H1' C 17 H1' C 17 15.615 -10.210 3.837 181 H41 C 17 2H4 C 17 16.062 -4.408 1.477 182 H42 C 17 1H4 C 17 16.872 -3.850 2.923 183 H5 C 17 H5 C 17 17.577 -5.376 4.715 184 H6 C 17 H6 C 17 17.619 -7.670 5.432 185 H5' C 18 1H5' C 18 19.223 -12.915 2.053 186 H5'' C 18 2H5' C 18 20.885 -13.145 1.475 187 H4' C 18 H4' C 18 19.368 -13.083 -0.423 188 H3' C 18 H3' C 18 21.082 -10.603 -0.167 189 H2' C 18 1H2' C 18 20.255 -10.062 -2.391 190 HO2' C 18 2HO' C 18 20.266 -12.263 -3.186 191 H1' C 18 H1' C 18 17.661 -10.604 -1.759 192 H41 C 18 2H4 C 18 18.484 -4.464 -0.470 193 H42 C 18 1H4 C 18 18.969 -4.855 1.165 194 H5 C 18 H5 C 18 19.313 -7.174 1.936 195 H6 C 18 H6 C 18 19.267 -9.479 1.257 196 H5' C 19 1H5' C 19 21.842 -12.323 -4.170 197 H5'' C 19 2H5' C 19 23.589 -12.222 -4.444 198 H4' C 19 H4' C 19 22.404 -11.217 -6.325 199 H3' C 19 H3' C 19 23.816 -9.215 -4.539 200 H2' C 19 1H2' C 19 23.271 -7.596 -6.278 201 HO2' C 19 2HO' C 19 23.613 -9.128 -8.051 202 H1' C 19 H1' C 19 20.679 -8.408 -6.510 203 H41 C 19 2H4 C 19 20.963 -3.718 -2.197 204 H42 C 19 1H4 C 19 21.226 -4.888 -0.924 205 H5 C 19 H5 C 19 21.517 -7.282 -1.352 206 H6 C 19 H6 C 19 21.674 -8.959 -3.086 207 H5' A 20 1H5' A 20 24.994 -7.761 -7.924 208 H5'' A 20 2H5' A 20 26.728 -7.380 -7.951 209 H4' A 20 H4' A 20 25.284 -5.356 -8.240 210 H3' A 20 H3' A 20 27.082 -5.566 -5.831 211 H2' A 20 1H2' A 20 26.326 -3.398 -5.121 212 HO2' A 20 2HO' A 20 25.040 -2.108 -6.493 213 H1' A 20 H1' A 20 23.699 -3.804 -5.611 214 H8 A 20 H8 A 20 24.679 -7.139 -4.284 215 H61 A 20 2H6 A 20 25.018 -4.428 1.307 216 H62 A 20 1H6 A 20 24.968 -5.966 0.467 217 H2 A 20 H2 A 20 24.817 -1.235 -1.791 218 H5' C 21 1H5' C 21 27.627 -1.764 -6.641 219 H5'' C 21 2H5' C 21 29.311 -1.266 -6.586 220 H4' C 21 H4' C 21 27.709 -0.212 -4.922 221 H3' C 21 H3' C 21 30.357 -0.519 -4.696 222 H2' C 21 1H2' C 21 30.179 -2.808 -3.882 223 HO2' C 21 2HO' C 21 30.499 -1.150 -1.579 224 H1' C 21 H1' C 21 28.275 -1.653 -1.838 225 H41 C 21 2H4 C 21 28.040 -7.856 -0.332 226 H42 C 21 1H4 C 21 27.974 -8.312 -2.023 227 H5 C 21 H5 C 21 28.074 -6.631 -3.863 228 H6 C 21 H6 C 21 28.207 -4.324 -4.342 229 H5' A 22 1H5' A 22 31.707 3.636 -2.941 230 H5'' A 22 2H5' A 22 30.746 4.120 -1.527 231 H4' A 22 H4' A 22 30.663 5.935 -3.101 232 H3' A 22 H3' A 22 28.363 4.959 -2.118 233 H2' A 22 1H2' A 22 28.054 3.284 -3.822 234 HO2' A 22 2HO' A 22 26.735 5.615 -4.688 235 H1' A 22 H1' A 22 28.697 5.245 -5.997 236 H8 A 22 H8 A 22 29.874 1.757 -4.695 237 H61 A 22 2H6 A 22 28.628 -0.223 -10.418 238 H62 A 22 1H6 A 22 29.322 -0.674 -8.874 239 H2 A 22 H2 A 22 27.399 4.015 -10.103 240 H5' A 23 1H5' A 23 26.883 7.827 -5.623 241 H5'' A 23 2H5' A 23 25.460 8.728 -5.060 242 H4' A 23 H4' A 23 25.001 7.611 -7.206 243 H3' A 23 H3' A 23 23.511 6.491 -4.828 244 H2' A 23 1H2' A 23 22.446 4.977 -6.334 245 HO2' A 23 2HO' A 23 22.086 6.458 -8.066 246 H1' A 23 H1' A 23 24.640 4.319 -7.771 247 H8 A 23 H8 A 23 24.371 4.783 -3.893 248 H61 A 23 2H6 A 23 23.809 -1.345 -3.836 249 H62 A 23 1H6 A 23 23.623 0.129 -2.906 250 H2 A 23 H2 A 23 24.810 -0.111 -7.981 251 H5' G 24 1H5' G 24 18.852 5.733 -5.876 252 H5'' G 24 2H5' G 24 20.354 5.087 -5.182 253 H4' G 24 H4' G 24 19.746 4.621 -8.106 254 H3' G 24 H3' G 24 18.582 3.142 -5.740 255 H2' G 24 1H2' G 24 18.618 1.161 -7.160 256 HO2' G 24 2HO' G 24 19.367 1.342 -9.324 257 H1' G 24 H1' G 24 21.255 1.553 -7.828 258 H8 G 24 H8 G 24 20.799 3.012 -4.358 259 H1 G 24 H1 G 24 20.893 -3.410 -4.422 260 H21 G 24 1H2 G 24 20.717 -3.027 -7.884 261 H22 G 24 2H2 G 24 20.796 -4.138 -6.536 262 H5' G 25 1H5' G 25 16.574 1.772 -9.065 263 H5'' G 25 2H5' G 25 14.827 1.648 -8.779 264 H4' G 25 H4' G 25 15.744 -0.488 -9.574 265 H3' G 25 H3' G 25 14.859 -0.509 -6.678 266 H2' G 25 1H2' G 25 15.143 -2.930 -6.850 267 HO2' G 25 2HO' G 25 15.741 -3.852 -8.848 268 H1' G 25 H1' G 25 17.624 -2.702 -7.935 269 H8 G 25 H8 G 25 17.243 0.261 -5.615 270 H1 G 25 H1 G 25 18.065 -5.321 -2.539 271 H21 G 25 1H2 G 25 17.577 -6.717 -5.698 272 H22 G 25 2H2 G 25 17.873 -7.006 -3.997 273 H5' G 26 1H5' G 26 13.015 -3.760 -8.726 274 H5'' G 26 2H5' G 26 11.305 -3.867 -8.266 275 H4' G 26 H4' G 26 12.389 -6.044 -7.997 276 H3' G 26 H3' G 26 11.693 -4.675 -5.384 277 H2' G 26 1H2' G 26 12.239 -6.827 -4.361 278 HO2' G 26 2HO' G 26 11.402 -8.135 -6.140 279 H1' G 26 H1' G 26 14.600 -7.012 -5.655 280 H8 G 26 H8 G 26 14.045 -3.305 -5.164 281 H1 G 26 H1 G 26 15.570 -6.372 0.261 282 H21 G 26 1H2 G 26 14.946 -9.255 -1.604 283 H22 G 26 2H2 G 26 15.382 -8.582 -0.046 284 H5' A 27 1H5' A 27 9.963 -8.666 -5.218 285 H5'' A 27 2H5' A 27 8.270 -8.440 -4.734 286 H4' A 27 H4' A 27 9.290 -10.145 -3.320 287 H3' A 27 H3' A 27 8.785 -7.497 -1.935 288 H2' A 27 1H2' A 27 9.322 -8.684 0.119 289 HO2' A 27 2HO' A 27 9.752 -10.927 0.052 290 H1' A 27 H1' A 27 11.595 -9.769 -0.910 291 H8 A 27 H8 A 27 11.214 -6.403 -2.590 292 H61 A 27 2H6 A 27 13.641 -3.992 2.583 293 H62 A 27 1H6 A 27 13.161 -3.652 0.935 294 H2 A 27 H2 A 27 12.578 -8.217 3.408 295 H5' A 28 1H5' A 28 7.130 -10.455 0.432 296 H5'' A 28 2H5' A 28 5.544 -9.978 1.070 297 H4' A 28 H4' A 28 7.079 -10.610 2.893 298 H3' A 28 H3' A 28 6.386 -7.663 2.756 299 H2' A 28 1H2' A 28 7.422 -7.550 4.966 300 HO2' A 28 2HO' A 28 6.682 -9.688 5.657 301 H1' A 28 H1' A 28 9.653 -8.870 4.138 302 H8 A 28 H8 A 28 8.447 -6.882 1.143 303 H61 A 28 2H6 A 28 11.077 -2.002 3.943 304 H62 A 28 1H6 A 28 10.292 -2.565 2.481 305 H2 A 28 H2 A 28 11.033 -5.376 6.818 306 H5' G 29 1H5' G 29 5.537 -8.715 6.647 307 H5'' G 29 2H5' G 29 3.971 -8.043 7.143 308 H4' G 29 H4' G 29 5.771 -7.369 8.686 309 H3' G 29 H3' G 29 4.620 -5.126 6.999 310 H2' G 29 1H2' G 29 5.872 -3.671 8.505 311 HO2' G 29 2HO' G 29 5.493 -4.952 10.430 312 H1' G 29 H1' G 29 8.141 -5.194 8.354 313 H8 G 29 H8 G 29 6.675 -5.278 4.869 314 H1 G 29 H1 G 29 9.370 0.350 6.371 315 H21 G 29 1H2 G 29 9.503 -0.969 9.596 316 H22 G 29 2H2 G 29 9.851 0.394 8.552 317 H5' G 30 1H5' G 30 4.269 -4.119 11.210 318 H5'' G 30 2H5' G 30 2.711 -3.318 11.488 319 H4' G 30 H4' G 30 4.631 -1.991 12.362 320 H3' G 30 H3' G 30 3.061 -0.803 10.063 321 H2' G 30 1H2' G 30 4.363 1.209 10.423 322 HO2' G 30 2HO' G 30 5.756 1.364 12.218 323 H1' G 30 H1' G 30 6.747 -0.123 10.688 324 H8 G 30 H8 G 30 4.780 -1.883 7.951 325 H1 G 30 H1 G 30 7.527 3.643 6.170 326 H21 G 30 1H2 G 30 8.058 4.065 9.588 327 H22 G 30 2H2 G 30 8.258 4.730 7.980 328 H5' C 31 1H5' C 31 3.373 2.007 13.371 329 H5'' C 31 2H5' C 31 1.804 2.791 13.624 330 H4' C 31 H4' C 31 3.597 4.469 13.475 331 H3' C 31 H3' C 31 1.666 4.411 11.143 332 H2' C 31 1H2' C 31 2.750 6.452 10.411 333 HO2' C 31 2HO' C 31 2.966 7.349 12.572 334 H1' C 31 H1' C 31 5.296 5.541 10.950 335 H41 C 31 2H4 C 31 4.564 4.268 4.808 336 H42 C 31 1H4 C 31 3.500 2.933 5.186 337 H5 C 31 H5 C 31 2.761 2.428 7.429 338 H6 C 31 H6 C 31 2.922 3.026 9.761 339 H5' C 32 1H5' C 32 1.704 8.543 12.707 340 H5'' C 32 2H5' C 32 0.029 9.120 12.663 341 H4' C 32 H4' C 32 1.472 10.675 11.443 342 H3' C 32 H3' C 32 -0.344 9.025 9.664 343 H2' C 32 1H2' C 32 0.379 10.527 7.888 344 HO2' C 32 2HO' C 32 0.431 12.452 9.210 345 H1' C 32 H1' C 32 3.016 10.370 8.580 346 H41 C 32 2H4 C 32 2.106 5.746 4.308 347 H42 C 32 1H4 C 32 1.216 4.791 5.475 348 H5 C 32 H5 C 32 0.714 5.551 7.722 349 H6 C 32 H6 C 32 0.955 7.387 9.277 350 H5' A 33 1H5' A 33 -1.138 13.292 8.815 351 H5'' A 33 2H5' A 33 -2.879 13.443 8.510 352 H4' A 33 H4' A 33 -1.586 14.403 6.661 353 H3' A 33 H3' A 33 -3.038 11.832 5.961 354 H2' A 33 1H2' A 33 -2.414 12.388 3.656 355 HO2' A 33 2HO' A 33 -2.628 14.740 3.986 356 H1' A 33 H1' A 33 0.178 12.804 4.298 357 H8 A 33 H8 A 33 -1.168 10.147 6.676 358 H61 A 33 2H6 A 33 -0.501 6.187 1.959 359 H62 A 33 1H6 A 33 -0.806 6.327 3.685 360 H2 A 33 H2 A 33 0.165 10.282 0.404 361 H5' G 34 1H5' G 34 -3.855 14.014 2.829 362 H5'' G 34 2H5' G 34 -5.592 14.100 2.489 363 H4' G 34 H4' G 34 -4.233 13.307 0.540 364 H3' G 34 H3' G 34 -6.219 11.343 1.724 365 H2' G 34 1H2' G 34 -5.760 10.043 -0.274 366 HO2' G 34 2HO' G 34 -5.785 11.962 -1.671 367 H1' G 34 H1' G 34 -3.034 10.695 -0.304 368 H8 G 34 H8 G 34 -3.467 9.473 3.141 369 H1 G 34 H1 G 34 -4.451 4.814 -1.182 370 H21 G 34 1H2 G 34 -4.352 7.394 -3.494 371 H22 G 34 2H2 G 34 -4.506 5.669 -3.214 372 H5' G 35 1H5' G 35 -7.289 10.586 -1.798 373 H5'' G 35 2H5' G 35 -9.000 11.008 -2.013 374 H4' G 35 H4' G 35 -8.717 8.721 -2.690 375 H3' G 35 H3' G 35 -10.016 8.914 0.048 376 H2' G 35 1H2' G 35 -10.569 6.594 -0.332 377 HO2' G 35 2HO' G 35 -11.064 6.981 -2.643 378 H1' G 35 H1' G 35 -8.068 6.033 -1.474 379 H8 G 35 H8 G 35 -6.753 7.740 1.364 380 H1 G 35 H1 G 35 -10.095 2.632 3.343 381 H21 G 35 1H2 G 35 -11.401 2.656 0.116 382 H22 G 35 2H2 G 35 -11.389 1.883 1.687 383 H5' G 36 1H5' G 36 -14.109 10.142 -3.317 384 H5'' G 36 2H5' G 36 -14.395 8.590 -4.112 385 H4' G 36 H4' G 36 -11.733 10.042 -3.816 386 H3' G 36 H3' G 36 -13.770 9.816 -5.882 387 H2' G 36 1H2' G 36 -12.660 8.630 -7.527 388 HO2' G 36 2HO' G 36 -10.775 9.926 -7.500 389 H1' G 36 H1' G 36 -11.103 6.912 -6.012 390 H8 G 36 H8 G 36 -13.364 6.187 -3.635 391 H1 G 36 H1 G 36 -16.329 5.066 -9.225 392 H21 G 36 1H2 G 36 -13.807 7.091 -10.549 393 H22 G 36 2H2 G 36 -15.229 6.119 -10.878 394 H5' A 37 1H5' A 37 -9.865 12.524 -8.188 395 H5'' A 37 2H5' A 37 -10.628 12.420 -9.786 396 H4' A 37 H4' A 37 -8.574 11.378 -10.162 397 H3' A 37 H3' A 37 -10.392 9.115 -9.302 398 H2' A 37 1H2' A 37 -8.490 7.694 -9.763 399 HO2' A 37 2HO' A 37 -7.978 8.721 -11.775 400 H1' A 37 H1' A 37 -6.585 9.578 -8.904 401 H8 A 37 H8 A 37 -8.667 9.700 -5.969 402 H61 A 37 2H6 A 37 -6.350 4.263 -4.140 403 H62 A 37 1H6 A 37 -7.258 5.681 -3.652 404 H2 A 37 H2 A 37 -5.476 4.715 -8.462 405 H5' A 38 1H5' A 38 -11.869 5.810 -12.212 406 H5'' A 38 2H5' A 38 -11.775 6.284 -10.500 407 H4' A 38 H4' A 38 -9.576 4.762 -11.967 408 H3' A 38 H3' A 38 -11.842 3.858 -10.163 409 H2' A 38 1H2' A 38 -10.380 2.230 -9.275 410 HO2' A 38 2HO' A 38 -8.490 1.602 -10.380 411 H1' A 38 H1' A 38 -8.036 3.778 -9.605 412 H8 A 38 H8 A 38 -10.416 5.763 -7.532 413 H61 A 38 2H6 A 38 -8.711 2.213 -2.734 414 H62 A 38 1H6 A 38 -9.588 3.657 -3.202 415 H2 A 38 H2 A 38 -7.243 0.311 -6.474 416 H5' U 39 1H5' U 39 -10.288 0.384 -11.937 417 H5'' U 39 2H5' U 39 -11.571 -0.785 -12.282 418 H4' U 39 H4' U 39 -9.787 -1.711 -10.798 419 H3' U 39 H3' U 39 -12.534 -1.394 -9.565 420 H2' U 39 1H2' U 39 -11.679 -2.639 -7.720 421 HO2' U 39 2HO' U 39 -10.605 -4.273 -8.937 422 H1' U 39 H1' U 39 -9.103 -1.509 -7.940 423 H3 U 39 H3 U 39 -10.446 -0.758 -3.703 424 H5 U 39 H5 U 39 -12.655 1.987 -5.991 425 H6 U 39 H6 U 39 -11.807 0.918 -7.987 426 H5' C 40 1H5' C 40 -11.010 -5.759 -9.667 427 H5'' C 40 2H5' C 40 -12.464 -6.723 -9.983 428 H4' C 40 H4' C 40 -11.244 -7.721 -8.133 429 H3' C 40 H3' C 40 -13.804 -6.303 -7.337 430 H2' C 40 1H2' C 40 -13.453 -7.263 -5.139 431 HO2' C 40 2HO' C 40 -12.693 -9.326 -5.816 432 H1' C 40 H1' C 40 -10.795 -6.738 -5.052 433 H41 C 40 2H4 C 40 -13.181 -1.788 -2.042 434 H42 C 40 1H4 C 40 -13.765 -1.066 -3.523 435 H5 C 40 H5 C 40 -13.593 -2.198 -5.708 436 H6 C 40 H6 C 40 -12.832 -4.215 -6.817 437 H5' U 41 1H5' U 41 -13.590 -10.572 -6.039 438 H5'' U 41 2H5' U 41 -15.222 -11.257 -5.970 439 H4' U 41 H4' U 41 -13.993 -11.544 -3.826 440 H3' U 41 H3' U 41 -16.405 -9.716 -3.763 441 H2' U 41 1H2' U 41 -16.110 -9.769 -1.342 442 HO2' U 41 2HO' U 41 -14.550 -11.132 -0.413 443 H1' U 41 H1' U 41 -13.436 -9.322 -1.464 444 H3 U 41 H3 U 41 -14.979 -5.395 0.000 445 H5 U 41 H5 U 41 -15.649 -5.349 -4.148 446 H6 U 41 H6 U 41 -15.134 -7.691 -4.212 447 H5' U 42 1H5' U 42 -16.644 -12.739 -0.742 448 H5'' U 42 2H5' U 42 -18.312 -13.274 -0.477 449 H4' U 42 H4' U 42 -17.274 -12.476 1.622 450 H3' U 42 H3' U 42 -19.510 -10.754 0.512 451 H2' U 42 1H2' U 42 -19.394 -9.558 2.624 452 HO2' U 42 2HO' U 42 -18.966 -11.517 3.899 453 H1' U 42 H1' U 42 -16.637 -9.399 2.579 454 H3 U 42 H3 U 42 -18.169 -5.226 1.674 455 H5 U 42 H5 U 42 -18.179 -7.283 -1.993 456 H6 U 42 H6 U 42 -17.852 -9.323 -0.794 457 H5' C 43 1H5' C 43 -20.654 -11.354 4.486 458 H5'' C 43 2H5' C 43 -22.326 -11.946 4.504 459 H4' C 43 H4' C 43 -22.167 -9.996 5.946 460 H3' C 43 H3' C 43 -23.579 -9.437 3.319 461 H2' C 43 1H2' C 43 -24.209 -7.330 4.355 462 HO2' C 43 2HO' C 43 -23.686 -6.932 6.528 463 H1' C 43 H1' C 43 -21.700 -6.828 5.279 464 H41 C 43 2H4 C 43 -21.964 -4.061 -0.409 465 H42 C 43 1H4 C 43 -21.622 -5.579 -1.209 466 H5 C 43 H5 C 43 -21.454 -7.706 -0.014 467 H6 C 43 H6 C 43 -21.566 -8.752 2.165 468 H5' C 44 1H5' C 44 -25.945 -8.347 6.665 469 H5'' C 44 2H5' C 44 -27.676 -8.598 6.391 470 H4' C 44 H4' C 44 -27.159 -6.269 7.070 471 H3' C 44 H3' C 44 -28.177 -6.602 4.232 472 H2' C 44 1H2' C 44 -28.428 -4.175 4.303 473 HO2' C 44 2HO' C 44 -29.086 -4.117 6.578 474 H1' C 44 H1' C 44 -25.907 -3.812 5.359 475 H41 C 44 2H4 C 44 -25.250 -3.351 -0.876 476 H42 C 44 1H4 C 44 -25.008 -5.072 -1.014 477 H5 C 44 H5 C 44 -25.314 -6.609 0.873 478 H6 C 44 H6 C 44 -25.841 -6.733 3.237 479 H5' C 45 1H5' C 45 -30.600 -3.768 5.499 480 H5'' C 45 2H5' C 45 -32.299 -4.227 5.265 481 H4' C 45 H4' C 45 -31.869 -2.064 4.207 482 H3' C 45 H3' C 45 -32.258 -4.352 2.243 483 HO3' C 45 H3T C 45 -34.026 -2.297 3.128 484 H2' C 45 1H2' C 45 -32.326 -2.667 0.550 485 HO2' C 45 2HO' C 45 -32.477 -0.448 1.126 486 H1' C 45 H1' C 45 -30.286 -1.135 1.685 487 H41 C 45 2H4 C 45 -27.924 -4.449 -3.192 488 H42 C 45 1H4 C 45 -27.646 -5.830 -2.149 489 H5 C 45 H5 C 45 -28.389 -5.893 0.192 490 H6 C 45 H6 C 45 -29.498 -4.644 1.944 491 H2 L94 46 H2 L94 46 5.564 -1.337 -4.162 492 H3 L94 46 H3 L94 46 3.900 0.371 -3.871 493 H5 L94 46 H5 L94 46 4.844 0.564 0.370 494 H6 L94 46 H6 L94 46 6.488 -1.156 0.086 495 H111 L94 46 1H11 L94 46 8.223 -3.584 -3.532 496 H411 L94 46 4H11 L94 46 1.941 2.939 -2.414 497 H11A L94 46 1H12 L94 46 6.997 -2.611 -4.269 498 H41A L94 46 4H12 L94 46 2.580 1.756 -3.503 499 H121 L94 46 1H21 L94 46 7.459 -2.914 -0.288 500 H424 L94 46 4H21 L94 46 3.814 2.188 0.347 501 H131 L94 46 1H31 L94 46 9.636 -3.451 -2.241 502 H434 L94 46 4H31 L94 46 1.547 3.613 -0.790 503 H13A L94 46 1H32 L94 46 9.481 -4.093 -0.586 504 H43A L94 46 4H32 L94 46 2.114 3.604 0.889 505 H141 L94 46 1H41 L94 46 9.838 -1.818 0.338 506 H444 L94 46 4H41 L94 46 1.147 1.276 1.167 507 H14A L94 46 1H42 L94 46 9.962 -1.150 -1.290 508 H44A L94 46 4H42 L94 46 0.634 1.322 -0.517 509 H151 L94 46 1H51 L94 46 11.998 -2.513 -1.736 510 H454 L94 46 4H51 L94 46 -1.360 1.898 0.564 511 H15A L94 46 1H52 L94 46 11.875 -3.255 -0.117 512 H45A L94 46 4H52 L94 46 -0.702 3.513 0.215 513 H161 L94 46 1H61 L94 46 12.144 -0.340 -0.612 514 H464 L94 46 4H61 L94 46 -0.569 1.999 2.773 515 H171 L94 46 1H72 L94 46 14.080 -1.541 -1.414 516 H474 L94 46 4H71 L94 46 -1.933 4.512 1.947 517 H17A L94 46 1H73 L94 46 14.207 -2.314 0.202 518 H47A L94 46 4H72 L94 46 -1.919 3.830 3.608 519 H17B L94 46 1H71 L94 46 14.431 -0.543 0.035 520 H47B L94 46 4H73 L94 46 -2.712 2.936 2.273 521 H181 L94 46 1H81 L94 46 11.089 -0.859 1.486 522 H484 L94 46 4H83 L94 46 1.475 3.187 2.575 523 H18A L94 46 1H82 L94 46 12.750 -0.246 1.739 524 H48A L94 46 4H81 L94 46 0.564 4.650 2.059 525 H18B L94 46 1H83 L94 46 12.416 -2.006 1.848 526 H48B L94 46 4H82 L94 46 0.394 4.025 3.732 Start of MODEL 2 1 H5' G 1 1H5' G 1 -24.900 4.251 -7.310 2 H5'' G 1 2H5' G 1 -25.840 2.852 -6.792 3 H4' G 1 H4' G 1 -26.737 5.144 -8.519 4 H3' G 1 H3' G 1 -26.326 5.447 -5.998 5 H2' G 1 1H2' G 1 -27.044 3.405 -5.096 6 HO2' G 1 2HO' G 1 -28.490 5.088 -4.211 7 H1' G 1 H1' G 1 -29.582 3.178 -6.595 8 H8 G 1 H8 G 1 -26.558 1.201 -7.763 9 H1 G 1 H1 G 1 -29.807 -1.643 -3.030 10 H21 G 1 1H2 G 1 -31.555 1.407 -2.890 11 H22 G 1 2H2 G 1 -31.268 -0.161 -2.149 12 HO5' G 1 H5T G 1 -26.810 3.364 -10.917 13 H5' G 2 1H5' G 2 -29.839 6.431 -3.588 14 H5'' G 2 2H5' G 2 -28.997 7.757 -2.776 15 H4' G 2 H4' G 2 -29.076 6.275 -1.058 16 H3' G 2 H3' G 2 -26.663 5.084 -2.481 17 H2' G 2 1H2' G 2 -26.464 3.942 -0.315 18 HO2' G 2 2HO' G 2 -27.878 4.487 1.380 19 H1' G 2 H1' G 2 -29.222 3.473 -0.292 20 H8 G 2 H8 G 2 -27.832 2.620 -3.663 21 H1 G 2 H1 G 2 -26.225 -1.611 0.862 22 H21 G 2 1H2 G 2 -27.819 0.618 3.019 23 H22 G 2 2H2 G 2 -26.974 -0.909 2.842 24 H5' G 3 1H5' G 3 -25.939 6.252 1.550 25 H5'' G 3 2H5' G 3 -24.249 6.636 1.898 26 H4' G 3 H4' G 3 -25.318 4.894 3.401 27 H3' G 3 H3' G 3 -22.858 4.063 1.833 28 H2' G 3 1H2' G 3 -22.882 2.165 3.367 29 HO2' G 3 2HO' G 3 -24.406 2.088 5.055 30 H1' G 3 H1' G 3 -25.575 1.729 3.003 31 H8 G 3 H8 G 3 -24.274 2.694 -0.392 32 H1 G 3 H1 G 3 -22.617 -3.207 1.558 33 H21 G 3 1H2 G 3 -23.622 -2.055 4.683 34 H22 G 3 2H2 G 3 -22.931 -3.374 3.764 35 H5' A 4 1H5' A 4 -22.345 3.546 6.077 36 H5'' A 4 2H5' A 4 -20.721 4.072 6.560 37 H4' A 4 H4' A 4 -21.218 1.847 7.472 38 H3' A 4 H3' A 4 -19.117 1.904 5.292 39 H2' A 4 1H2' A 4 -18.698 -0.419 5.910 40 HO2' A 4 2HO' A 4 -19.059 -0.076 8.219 41 H1' A 4 H1' A 4 -21.336 -1.082 5.910 42 H8 A 4 H8 A 4 -20.852 1.544 3.205 43 H61 A 4 2H6 A 4 -18.896 -3.130 -0.384 44 H62 A 4 1H6 A 4 -19.382 -1.446 -0.369 45 H2 A 4 H2 A 4 -19.185 -4.621 3.789 46 H5' A 5 1H5' A 5 -17.500 -0.133 8.740 47 H5'' A 5 2H5' A 5 -15.819 0.375 8.975 48 H4' A 5 H4' A 5 -15.984 -2.079 8.873 49 H3' A 5 H3' A 5 -14.595 -0.765 6.524 50 H2' A 5 1H2' A 5 -13.958 -3.030 5.889 51 HO2' A 5 2HO' A 5 -13.643 -3.799 8.088 52 H1' A 5 H1' A 5 -16.468 -4.026 6.219 53 H8 A 5 H8 A 5 -16.721 -0.414 5.005 54 H61 A 5 2H6 A 5 -15.885 -2.720 -0.694 55 H62 A 5 1H6 A 5 -16.287 -1.287 0.231 56 H2 A 5 H2 A 5 -15.158 -5.985 2.241 57 H5' G 6 1H5' G 6 -11.982 -3.768 8.229 58 H5'' G 6 2H5' G 6 -10.304 -3.196 8.173 59 H4' G 6 H4' G 6 -10.554 -5.386 7.056 60 H3' G 6 H3' G 6 -9.888 -3.053 5.241 61 H2' G 6 1H2' G 6 -9.528 -4.741 3.530 62 HO2' G 6 2HO' G 6 -9.700 -6.957 4.074 63 H1' G 6 H1' G 6 -11.872 -6.020 4.054 64 H8 G 6 H8 G 6 -12.342 -2.281 4.704 65 H1 G 6 H1 G 6 -12.441 -3.911 -1.513 66 H21 G 6 1H2 G 6 -11.360 -7.017 -0.339 67 H22 G 6 2H2 G 6 -11.770 -6.034 -1.729 68 H5' A 7 1H5' A 7 -7.164 -6.148 4.480 69 H5'' A 7 2H5' A 7 -5.512 -5.534 4.277 70 H4' A 7 H4' A 7 -6.240 -6.902 2.342 71 H3' A 7 H3' A 7 -5.753 -3.957 1.848 72 H2' A 7 1H2' A 7 -6.086 -4.457 -0.512 73 HO2' A 7 2HO' A 7 -4.998 -6.542 -0.429 74 H1' A 7 H1' A 7 -8.304 -5.983 -0.125 75 H8 A 7 H8 A 7 -8.480 -3.234 2.469 76 H61 A 7 2H6 A 7 -10.850 0.307 -2.050 77 H62 A 7 1H6 A 7 -10.607 0.170 -0.322 78 H2 A 7 H2 A 7 -9.175 -3.357 -3.905 79 H5' U 8 1H5' U 8 -3.609 -6.300 -0.963 80 H5'' U 8 2H5' U 8 -1.992 -5.652 -1.301 81 H4' U 8 H4' U 8 -3.374 -5.973 -3.376 82 H3' U 8 H3' U 8 -2.478 -3.196 -2.588 83 H2' U 8 1H2' U 8 -3.543 -2.357 -4.563 84 HO2' U 8 2HO' U 8 -2.666 -4.171 -5.867 85 H1' U 8 H1' U 8 -5.706 -4.150 -4.540 86 H3 U 8 H3 U 8 -7.390 0.064 -4.316 87 H5 U 8 H5 U 8 -6.027 -0.726 -0.427 88 H6 U 8 H6 U 8 -5.038 -2.768 -1.232 89 H5' C 9 1H5' C 9 -1.955 -2.536 -6.292 90 H5'' C 9 2H5' C 9 -0.284 -2.040 -6.638 91 H4' C 9 H4' C 9 -1.897 -0.276 -7.303 92 H3' C 9 H3' C 9 0.069 0.214 -5.081 93 H2' C 9 1H2' C 9 -0.837 2.336 -4.653 94 HO2' C 9 2HO' C 9 -0.710 3.042 -6.850 95 H1' C 9 H1' C 9 -3.464 1.841 -5.549 96 H41 C 9 2H4 C 9 -4.256 2.536 0.683 97 H42 C 9 1H4 C 9 -3.515 0.975 0.974 98 H5 C 9 H5 C 9 -2.342 -0.280 -0.755 99 H6 C 9 H6 C 9 -1.875 -0.410 -3.111 100 H5' U 10 1H5' U 10 0.042 3.504 -8.336 101 H5'' U 10 2H5' U 10 1.759 3.866 -8.587 102 H4' U 10 H4' U 10 0.571 5.959 -8.394 103 H3' U 10 H3' U 10 2.143 5.282 -5.883 104 H2' U 10 1H2' U 10 1.697 7.592 -5.270 105 HO2' U 10 2HO' U 10 1.932 8.396 -7.500 106 H1' U 10 H1' U 10 -0.951 7.450 -6.014 107 H3 U 10 H3 U 10 -0.464 7.682 -1.440 108 H5 U 10 H5 U 10 -0.254 3.601 -2.408 109 H6 U 10 H6 U 10 -0.164 4.205 -4.738 110 H5' G 11 1H5' G 11 3.418 9.004 -6.727 111 H5'' G 11 2H5' G 11 5.193 9.070 -6.727 112 H4' G 11 H4' G 11 4.295 10.750 -5.189 113 H3' G 11 H3' G 11 5.593 8.381 -3.810 114 H2' G 11 1H2' G 11 5.470 9.770 -1.820 115 HO2' G 11 2HO' G 11 4.768 11.929 -1.981 116 H1' G 11 H1' G 11 2.878 10.548 -2.339 117 H8 G 11 H8 G 11 3.099 6.890 -3.293 118 H1 G 11 H1 G 11 3.019 7.895 3.052 119 H21 G 11 1H2 G 11 3.504 11.234 2.181 120 H22 G 11 2H2 G 11 3.304 10.068 3.472 121 H5' G 12 1H5' G 12 7.519 12.018 -2.543 122 H5'' G 12 2H5' G 12 9.273 11.757 -2.484 123 H4' G 12 H4' G 12 8.520 12.683 -0.359 124 H3' G 12 H3' G 12 9.262 9.747 -0.222 125 H2' G 12 1H2' G 12 9.081 10.002 2.177 126 HO2' G 12 2HO' G 12 8.666 12.074 3.078 127 H1' G 12 H1' G 12 6.677 11.288 2.038 128 H8 G 12 H8 G 12 6.958 8.713 -0.764 129 H1 G 12 H1 G 12 5.674 6.239 5.015 130 H21 G 12 1H2 G 12 6.365 9.452 6.159 131 H22 G 12 2H2 G 12 5.923 7.813 6.574 132 H5' C 13 1H5' C 13 11.361 11.623 2.848 133 H5'' C 13 2H5' C 13 13.032 11.035 2.923 134 H4' C 13 H4' C 13 11.895 10.799 5.102 135 H3' C 13 H3' C 13 12.497 8.172 3.704 136 H2' C 13 1H2' C 13 11.904 7.172 5.834 137 HO2' C 13 2HO' C 13 11.488 8.497 7.644 138 H1' C 13 H1' C 13 9.669 8.749 6.136 139 H41 C 13 2H4 C 13 7.837 3.264 3.579 140 H42 C 13 1H4 C 13 8.309 3.823 1.989 141 H5 C 13 H5 C 13 9.397 5.982 1.607 142 H6 C 13 H6 C 13 10.278 7.958 2.656 143 H5' C 14 1H5' C 14 14.119 8.206 7.646 144 H5'' C 14 2H5' C 14 15.669 7.347 7.722 145 H4' C 14 H4' C 14 14.017 6.475 9.369 146 H3' C 14 H3' C 14 14.838 4.584 7.151 147 H2' C 14 1H2' C 14 13.649 2.893 8.426 148 HO2' C 14 2HO' C 14 14.354 3.668 10.520 149 H1' C 14 H1' C 14 11.517 4.519 8.993 150 H41 C 14 2H4 C 14 9.741 1.124 3.977 151 H42 C 14 1H4 C 14 10.732 2.083 2.900 152 H5 C 14 H5 C 14 12.218 3.864 3.697 153 H6 C 14 H6 C 14 13.010 5.031 5.670 154 H5' U 15 1H5' U 15 15.460 2.772 11.171 155 H5'' U 15 2H5' U 15 17.000 1.897 11.118 156 H4' U 15 H4' U 15 15.197 0.468 12.002 157 H3' U 15 H3' U 15 16.322 -0.293 9.296 158 H2' U 15 1H2' U 15 14.998 -2.315 9.490 159 HO2' U 15 2HO' U 15 15.420 -2.597 11.782 160 H1' U 15 H1' U 15 12.764 -1.040 10.420 161 H3 U 15 H3 U 15 11.677 -2.337 6.226 162 H5 U 15 H5 U 15 13.844 1.226 5.773 163 H6 U 15 H6 U 15 14.471 1.095 8.085 164 H5' U 16 1H5' U 16 16.530 -3.813 11.933 165 H5'' U 16 2H5' U 16 18.102 -4.587 11.657 166 H4' U 16 H4' U 16 16.327 -6.234 11.341 167 H3' U 16 H3' U 16 17.691 -5.321 8.794 168 H2' U 16 1H2' U 16 16.444 -7.066 7.675 169 HO2' U 16 2HO' U 16 16.688 -8.633 9.415 170 H1' U 16 H1' U 16 14.081 -6.519 8.965 171 H3 U 16 H3 U 16 13.345 -5.082 4.759 172 H5 U 16 H5 U 16 15.838 -2.167 6.471 173 H6 U 16 H6 U 16 16.121 -3.580 8.372 174 H5' C 17 1H5' C 17 17.945 -9.653 8.882 175 H5'' C 17 2H5' C 17 19.568 -10.129 8.349 176 H4' C 17 H4' C 17 17.843 -11.255 7.001 177 H3' C 17 H3' C 17 19.434 -9.135 5.525 178 H2' C 17 1H2' C 17 18.353 -10.018 3.528 179 HO2' C 17 2HO' C 17 18.402 -12.264 4.265 180 H1' C 17 H1' C 17 15.880 -10.037 4.664 181 H41 C 17 2H4 C 17 16.234 -4.435 1.845 182 H42 C 17 1H4 C 17 16.997 -3.739 3.256 183 H5 C 17 H5 C 17 17.694 -5.094 5.186 184 H6 C 17 H6 C 17 17.774 -7.322 6.092 185 H5' C 18 1H5' C 18 19.598 -12.771 3.189 186 H5'' C 18 2H5' C 18 21.276 -12.991 2.665 187 H4' C 18 H4' C 18 19.796 -13.137 0.743 188 H3' C 18 H3' C 18 21.440 -10.598 0.820 189 H2' C 18 1H2' C 18 20.648 -10.270 -1.462 190 HO2' C 18 2HO' C 18 20.725 -12.528 -2.078 191 H1' C 18 H1' C 18 18.059 -10.827 -0.835 192 H41 C 18 2H4 C 18 18.681 -4.578 -0.075 193 H42 C 18 1H4 C 18 19.144 -4.811 1.594 194 H5 C 18 H5 C 18 19.528 -7.049 2.578 195 H6 C 18 H6 C 18 19.559 -9.402 2.102 196 H5' C 19 1H5' C 19 22.359 -12.629 -3.008 197 H5'' C 19 2H5' C 19 24.114 -12.495 -3.243 198 H4' C 19 H4' C 19 22.942 -11.688 -5.233 199 H3' C 19 H3' C 19 24.251 -9.500 -3.591 200 H2' C 19 1H2' C 19 23.709 -8.055 -5.472 201 HO2' C 19 2HO' C 19 24.142 -9.707 -7.110 202 H1' C 19 H1' C 19 21.150 -8.966 -5.699 203 H41 C 19 2H4 C 19 21.162 -3.912 -1.812 204 H42 C 19 1H4 C 19 21.423 -4.956 -0.433 205 H5 C 19 H5 C 19 21.806 -7.370 -0.642 206 H6 C 19 H6 C 19 22.061 -9.185 -2.216 207 H5' A 20 1H5' A 20 25.495 -8.287 -7.061 208 H5'' A 20 2H5' A 20 27.219 -7.860 -7.063 209 H4' A 20 H4' A 20 25.721 -5.913 -7.555 210 H3' A 20 H3' A 20 27.450 -5.875 -5.087 211 H2' A 20 1H2' A 20 26.605 -3.679 -4.581 212 HO2' A 20 2HO' A 20 25.334 -2.545 -6.093 213 H1' A 20 H1' A 20 24.008 -4.213 -5.113 214 H8 A 20 H8 A 20 25.045 -7.387 -3.478 215 H61 A 20 2H6 A 20 25.139 -4.203 1.867 216 H62 A 20 1H6 A 20 25.158 -5.810 1.163 217 H2 A 20 H2 A 20 24.923 -1.293 -1.497 218 H5' C 21 1H5' C 21 27.903 -2.126 -6.185 219 H5'' C 21 2H5' C 21 29.565 -1.572 -6.112 220 H4' C 21 H4' C 21 27.863 -0.448 -4.587 221 H3' C 21 H3' C 21 30.507 -0.611 -4.245 222 H2' C 21 1H2' C 21 30.395 -2.850 -3.293 223 HO2' C 21 2HO' C 21 31.766 -1.497 -1.980 224 H1' C 21 H1' C 21 28.390 -1.629 -1.385 225 H41 C 21 2H4 C 21 28.321 -7.704 0.587 226 H42 C 21 1H4 C 21 28.334 -8.288 -1.064 227 H5 C 21 H5 C 21 28.429 -6.751 -3.027 228 H6 C 21 H6 C 21 28.490 -4.485 -3.677 229 H5' A 22 1H5' A 22 31.686 3.672 -2.795 230 H5'' A 22 2H5' A 22 30.637 4.227 -1.474 231 H4' A 22 H4' A 22 30.589 5.914 -3.197 232 H3' A 22 H3' A 22 28.273 4.964 -2.229 233 H2' A 22 1H2' A 22 28.082 3.142 -3.796 234 HO2' A 22 2HO' A 22 26.739 5.351 -4.914 235 H1' A 22 H1' A 22 28.762 4.931 -6.103 236 H8 A 22 H8 A 22 29.984 1.601 -4.458 237 H61 A 22 2H6 A 22 29.033 -0.897 -10.030 238 H62 A 22 1H6 A 22 29.684 -1.184 -8.426 239 H2 A 22 H2 A 22 27.653 3.307 -10.128 240 H5' A 23 1H5' A 23 26.853 7.467 -6.028 241 H5'' A 23 2H5' A 23 25.391 8.375 -5.589 242 H4' A 23 H4' A 23 25.033 7.059 -7.646 243 H3' A 23 H3' A 23 23.496 6.100 -5.226 244 H2' A 23 1H2' A 23 22.528 4.433 -6.628 245 HO2' A 23 2HO' A 23 22.181 5.745 -8.500 246 H1' A 23 H1' A 23 24.787 3.728 -7.935 247 H8 A 23 H8 A 23 24.367 4.510 -4.121 248 H61 A 23 2H6 A 23 24.005 -1.606 -3.558 249 H62 A 23 1H6 A 23 23.731 -0.065 -2.768 250 H2 A 23 H2 A 23 25.102 -0.697 -7.761 251 H5' G 24 1H5' G 24 18.874 5.118 -6.394 252 H5'' G 24 2H5' G 24 20.349 4.571 -5.566 253 H4' G 24 H4' G 24 19.903 3.845 -8.466 254 H3' G 24 H3' G 24 18.684 2.526 -6.030 255 H2' G 24 1H2' G 24 18.850 0.437 -7.274 256 HO2' G 24 2HO' G 24 18.434 1.392 -9.392 257 H1' G 24 H1' G 24 21.500 0.872 -7.872 258 H8 G 24 H8 G 24 20.863 2.597 -4.563 259 H1 G 24 H1 G 24 21.171 -3.798 -4.056 260 H21 G 24 1H2 G 24 21.082 -3.727 -7.542 261 H22 G 24 2H2 G 24 21.150 -4.712 -6.097 262 H5' G 25 1H5' G 25 16.748 0.793 -9.282 263 H5'' G 25 2H5' G 25 15.010 0.655 -8.971 264 H4' G 25 H4' G 25 16.006 -1.525 -9.552 265 H3' G 25 H3' G 25 15.074 -1.287 -6.677 266 H2' G 25 1H2' G 25 15.428 -3.706 -6.612 267 HO2' G 25 2HO' G 25 16.066 -4.805 -8.501 268 H1' G 25 H1' G 25 17.918 -3.513 -7.694 269 H8 G 25 H8 G 25 17.424 -0.363 -5.648 270 H1 G 25 H1 G 25 18.359 -5.626 -2.080 271 H21 G 25 1H2 G 25 17.963 -7.313 -5.106 272 H22 G 25 2H2 G 25 18.238 -7.440 -3.383 273 H5' G 26 1H5' G 26 13.338 -4.761 -8.437 274 H5'' G 26 2H5' G 26 11.627 -4.870 -7.985 275 H4' G 26 H4' G 26 12.759 -6.987 -7.503 276 H3' G 26 H3' G 26 12.002 -5.391 -5.042 277 H2' G 26 1H2' G 26 12.574 -7.423 -3.812 278 HO2' G 26 2HO' G 26 13.212 -9.295 -4.972 279 H1' G 26 H1' G 26 14.961 -7.678 -5.069 280 H8 G 26 H8 G 26 14.321 -3.961 -4.910 281 H1 G 26 H1 G 26 15.828 -6.509 0.784 282 H21 G 26 1H2 G 26 15.287 -9.554 -0.829 283 H22 G 26 2H2 G 26 15.682 -8.739 0.670 284 H5' A 27 1H5' A 27 10.463 -9.356 -4.548 285 H5'' A 27 2H5' A 27 8.740 -9.205 -4.141 286 H4' A 27 H4' A 27 9.779 -10.734 -2.568 287 H3' A 27 H3' A 27 9.136 -8.011 -1.395 288 H2' A 27 1H2' A 27 9.668 -9.024 0.758 289 HO2' A 27 2HO' A 27 8.771 -11.149 0.161 290 H1' A 27 H1' A 27 12.003 -10.086 -0.132 291 H8 A 27 H8 A 27 11.534 -6.883 -2.095 292 H61 A 27 2H6 A 27 13.812 -3.972 2.888 293 H62 A 27 1H6 A 27 13.358 -3.789 1.208 294 H2 A 27 H2 A 27 12.823 -8.131 4.065 295 H5' A 28 1H5' A 28 7.473 -10.781 1.218 296 H5'' A 28 2H5' A 28 5.863 -10.261 1.747 297 H4' A 28 H4' A 28 7.355 -10.650 3.670 298 H3' A 28 H3' A 28 6.602 -7.753 3.190 299 H2' A 28 1H2' A 28 7.559 -7.390 5.411 300 HO2' A 28 2HO' A 28 6.829 -9.469 6.285 301 H1' A 28 H1' A 28 9.839 -8.748 4.801 302 H8 A 28 H8 A 28 8.688 -7.064 1.599 303 H61 A 28 2H6 A 28 11.180 -1.909 4.015 304 H62 A 28 1H6 A 28 10.435 -2.612 2.594 305 H2 A 28 H2 A 28 11.116 -5.021 7.176 306 H5' G 29 1H5' G 29 5.644 -8.454 7.142 307 H5'' G 29 2H5' G 29 4.052 -7.772 7.531 308 H4' G 29 H4' G 29 5.802 -6.921 9.054 309 H3' G 29 H3' G 29 4.659 -4.866 7.140 310 H2' G 29 1H2' G 29 5.842 -3.254 8.534 311 HO2' G 29 2HO' G 29 5.426 -4.348 10.565 312 H1' G 29 H1' G 29 8.139 -4.748 8.598 313 H8 G 29 H8 G 29 6.769 -5.142 5.091 314 H1 G 29 H1 G 29 9.372 0.620 6.198 315 H21 G 29 1H2 G 29 9.415 -0.429 9.525 316 H22 G 29 2H2 G 29 9.784 0.849 8.386 317 H5' G 30 1H5' G 30 4.175 -3.484 11.225 318 H5'' G 30 2H5' G 30 2.599 -2.691 11.393 319 H4' G 30 H4' G 30 4.469 -1.257 12.192 320 H3' G 30 H3' G 30 2.956 -0.301 9.746 321 H2' G 30 1H2' G 30 4.211 1.756 9.986 322 HO2' G 30 2HO' G 30 5.525 2.089 11.811 323 H1' G 30 H1' G 30 6.606 0.490 10.454 324 H8 G 30 H8 G 30 4.776 -1.498 7.777 325 H1 G 30 H1 G 30 7.543 3.914 5.704 326 H21 G 30 1H2 G 30 7.922 4.594 9.103 327 H22 G 30 2H2 G 30 8.185 5.142 7.463 328 H5' C 31 1H5' C 31 3.118 2.758 12.862 329 H5'' C 31 2H5' C 31 1.533 3.540 12.997 330 H4' C 31 H4' C 31 3.314 5.224 12.807 331 H3' C 31 H3' C 31 1.463 4.984 10.424 332 H2' C 31 1H2' C 31 2.546 6.974 9.577 333 HO2' C 31 2HO' C 31 2.666 8.026 11.678 334 H1' C 31 H1' C 31 5.087 6.153 10.277 335 H41 C 31 2H4 C 31 4.637 4.446 4.215 336 H42 C 31 1H4 C 31 3.572 3.126 4.637 337 H5 C 31 H5 C 31 2.742 2.765 6.878 338 H6 C 31 H6 C 31 2.792 3.525 9.166 339 H5' C 32 1H5' C 32 1.394 9.236 11.709 340 H5'' C 32 2H5' C 32 -0.297 9.761 11.590 341 H4' C 32 H4' C 32 1.119 11.282 10.305 342 H3' C 32 H3' C 32 -0.587 9.450 8.597 343 H2' C 32 1H2' C 32 0.135 10.829 6.732 344 HO2' C 32 2HO' C 32 0.069 12.854 7.899 345 H1' C 32 H1' C 32 2.762 10.844 7.510 346 H41 C 32 2H4 C 32 2.186 5.894 3.560 347 H42 C 32 1H4 C 32 1.256 5.001 4.748 348 H5 C 32 H5 C 32 0.649 5.899 6.918 349 H6 C 32 H6 C 32 0.772 7.844 8.346 350 H5' A 33 1H5' A 33 -1.560 13.659 7.437 351 H5'' A 33 2H5' A 33 -3.307 13.680 7.144 352 H4' A 33 H4' A 33 -2.126 14.607 5.218 353 H3' A 33 H3' A 33 -3.337 11.871 4.699 354 H2' A 33 1H2' A 33 -2.773 12.317 2.362 355 HO2' A 33 2HO' A 33 -3.216 14.657 2.529 356 H1' A 33 H1' A 33 -0.228 13.042 2.947 357 H8 A 33 H8 A 33 -1.394 10.436 5.493 358 H61 A 33 2H6 A 33 -0.110 6.221 1.136 359 H62 A 33 1H6 A 33 -0.507 6.460 2.830 360 H2 A 33 H2 A 33 0.240 10.241 -0.702 361 H5' G 34 1H5' G 34 -4.488 13.932 1.472 362 H5'' G 34 2H5' G 34 -6.222 13.760 1.149 363 H4' G 34 H4' G 34 -4.770 13.124 -0.797 364 H3' G 34 H3' G 34 -6.459 10.944 0.438 365 H2' G 34 1H2' G 34 -5.815 9.647 -1.514 366 HO2' G 34 2HO' G 34 -6.070 11.285 -3.077 367 H1' G 34 H1' G 34 -3.203 10.635 -1.546 368 H8 G 34 H8 G 34 -3.492 9.552 1.956 369 H1 G 34 H1 G 34 -3.906 4.585 -2.103 370 H21 G 34 1H2 G 34 -4.093 7.035 -4.554 371 H22 G 34 2H2 G 34 -4.050 5.319 -4.178 372 H5' G 35 1H5' G 35 -9.069 8.969 0.895 373 H5'' G 35 2H5' G 35 -7.530 9.288 0.090 374 H4' G 35 H4' G 35 -9.294 8.600 -1.998 375 H3' G 35 H3' G 35 -9.946 7.062 0.497 376 H2' G 35 1H2' G 35 -9.752 4.968 -0.583 377 HO2' G 35 2HO' G 35 -10.799 5.785 -2.571 378 H1' G 35 H1' G 35 -7.456 5.433 -1.920 379 H8 G 35 H8 G 35 -6.348 7.424 0.849 380 H1 G 35 H1 G 35 -7.502 1.453 2.881 381 H21 G 35 1H2 G 35 -8.939 1.031 -0.257 382 H22 G 35 2H2 G 35 -8.561 0.301 1.293 383 H5' G 36 1H5' G 36 -12.537 11.217 -2.555 384 H5'' G 36 2H5' G 36 -13.379 9.663 -2.571 385 H4' G 36 H4' G 36 -10.503 10.122 -3.498 386 H3' G 36 H3' G 36 -13.168 10.269 -4.858 387 H2' G 36 1H2' G 36 -12.421 9.125 -6.774 388 HO2' G 36 2HO' G 36 -10.346 10.063 -6.892 389 H1' G 36 H1' G 36 -11.161 7.066 -5.417 390 H8 G 36 H8 G 36 -13.453 6.992 -2.875 391 H1 G 36 H1 G 36 -16.772 6.423 -8.348 392 H21 G 36 1H2 G 36 -13.892 7.750 -9.809 393 H22 G 36 2H2 G 36 -15.511 7.128 -10.065 394 H5' A 37 1H5' A 37 -9.364 12.523 -7.527 395 H5'' A 37 2H5' A 37 -10.195 12.710 -9.082 396 H4' A 37 H4' A 37 -8.373 11.450 -9.730 397 H3' A 37 H3' A 37 -10.336 9.320 -8.848 398 H2' A 37 1H2' A 37 -8.652 7.766 -9.621 399 HO2' A 37 2HO' A 37 -8.258 8.900 -11.604 400 H1' A 37 H1' A 37 -6.484 9.406 -8.861 401 H8 A 37 H8 A 37 -8.237 9.315 -5.682 402 H61 A 37 2H6 A 37 -6.114 3.572 -4.792 403 H62 A 37 1H6 A 37 -6.890 4.955 -4.044 404 H2 A 37 H2 A 37 -5.585 4.557 -9.084 405 H5' A 38 1H5' A 38 -12.220 6.344 -12.092 406 H5'' A 38 2H5' A 38 -12.153 6.656 -10.337 407 H4' A 38 H4' A 38 -9.997 5.182 -11.913 408 H3' A 38 H3' A 38 -12.240 4.227 -10.097 409 H2' A 38 1H2' A 38 -10.792 2.527 -9.348 410 HO2' A 38 2HO' A 38 -8.945 1.918 -10.541 411 H1' A 38 H1' A 38 -8.420 4.046 -9.684 412 H8 A 38 H8 A 38 -10.677 5.922 -7.364 413 H61 A 38 2H6 A 38 -8.704 2.052 -2.930 414 H62 A 38 1H6 A 38 -9.582 3.539 -3.240 415 H2 A 38 H2 A 38 -7.513 0.379 -6.863 416 H5' U 39 1H5' U 39 -10.797 0.832 -12.133 417 H5'' U 39 2H5' U 39 -12.109 -0.303 -12.501 418 H4' U 39 H4' U 39 -10.283 -1.329 -11.136 419 H3' U 39 H3' U 39 -12.983 -1.061 -9.789 420 H2' U 39 1H2' U 39 -12.076 -2.407 -8.044 421 HO2' U 39 2HO' U 39 -11.077 -3.986 -9.370 422 H1' U 39 H1' U 39 -9.491 -1.300 -8.310 423 H3 U 39 H3 U 39 -10.629 -0.750 -3.978 424 H5 U 39 H5 U 39 -12.931 2.111 -6.020 425 H6 U 39 H6 U 39 -12.179 1.148 -8.105 426 H5' C 40 1H5' C 40 -11.494 -5.420 -10.167 427 H5'' C 40 2H5' C 40 -12.961 -6.355 -10.502 428 H4' C 40 H4' C 40 -11.722 -7.475 -8.745 429 H3' C 40 H3' C 40 -14.228 -6.059 -7.794 430 H2' C 40 1H2' C 40 -13.838 -7.128 -5.662 431 HO2' C 40 2HO' C 40 -13.154 -9.174 -6.449 432 H1' C 40 H1' C 40 -11.164 -6.680 -5.628 433 H41 C 40 2H4 C 40 -13.329 -1.853 -2.271 434 H42 C 40 1H4 C 40 -13.976 -1.053 -3.683 435 H5 C 40 H5 C 40 -13.908 -2.065 -5.928 436 H6 C 40 H6 C 40 -13.227 -4.030 -7.174 437 H5' U 41 1H5' U 41 -14.049 -10.394 -6.731 438 H5'' U 41 2H5' U 41 -15.692 -11.053 -6.654 439 H4' U 41 H4' U 41 -14.417 -11.477 -4.565 440 H3' U 41 H3' U 41 -16.788 -9.603 -4.338 441 H2' U 41 1H2' U 41 -16.440 -9.798 -1.933 442 HO2' U 41 2HO' U 41 -14.894 -11.245 -1.121 443 H1' U 41 H1' U 41 -13.753 -9.412 -2.101 444 H3 U 41 H3 U 41 -15.114 -5.529 -0.376 445 H5 U 41 H5 U 41 -15.949 -5.241 -4.486 446 H6 U 41 H6 U 41 -15.503 -7.587 -4.695 447 H5' U 42 1H5' U 42 -17.025 -12.785 -1.494 448 H5'' U 42 2H5' U 42 -18.696 -13.309 -1.220 449 H4' U 42 H4' U 42 -17.606 -12.646 0.899 450 H3' U 42 H3' U 42 -19.815 -10.813 -0.065 451 H2' U 42 1H2' U 42 -19.625 -9.744 2.109 452 HO2' U 42 2HO' U 42 -19.224 -11.774 3.264 453 H1' U 42 H1' U 42 -16.870 -9.655 2.015 454 H3 U 42 H3 U 42 -18.288 -5.392 1.407 455 H5 U 42 H5 U 42 -18.458 -7.217 -2.376 456 H6 U 42 H6 U 42 -18.163 -9.336 -1.320 457 H5' C 43 1H5' C 43 -20.892 -11.651 3.884 458 H5'' C 43 2H5' C 43 -22.579 -12.202 3.908 459 H4' C 43 H4' C 43 -22.340 -10.367 5.472 460 H3' C 43 H3' C 43 -23.797 -9.597 2.925 461 H2' C 43 1H2' C 43 -24.341 -7.538 4.109 462 HO2' C 43 2HO' C 43 -24.618 -8.533 6.209 463 H1' C 43 H1' C 43 -21.801 -7.165 5.009 464 H41 C 43 2H4 C 43 -22.118 -4.027 -0.485 465 H42 C 43 1H4 C 43 -21.835 -5.498 -1.392 466 H5 C 43 H5 C 43 -21.682 -7.697 -0.336 467 H6 C 43 H6 C 43 -21.778 -8.880 1.773 468 H5' C 44 1H5' C 44 -26.171 -8.710 6.415 469 H5'' C 44 2H5' C 44 -27.903 -8.879 6.073 470 H4' C 44 H4' C 44 -27.294 -6.613 6.934 471 H3' C 44 H3' C 44 -28.316 -6.725 4.080 472 H2' C 44 1H2' C 44 -28.479 -4.298 4.313 473 HO2' C 44 2HO' C 44 -29.134 -4.367 6.587 474 H1' C 44 H1' C 44 -25.947 -4.103 5.379 475 H41 C 44 2H4 C 44 -25.341 -3.241 -0.823 476 H42 C 44 1H4 C 44 -25.202 -4.959 -1.088 477 H5 C 44 H5 C 44 -25.532 -6.609 0.699 478 H6 C 44 H6 C 44 -26.025 -6.877 3.058 479 H5' C 45 1H5' C 45 -30.599 -3.854 5.561 480 H5'' C 45 2H5' C 45 -32.319 -4.222 5.325 481 H4' C 45 H4' C 45 -31.817 -2.009 4.420 482 H3' C 45 H3' C 45 -32.316 -4.115 2.285 483 HO3' C 45 H3T C 45 -34.061 -3.760 3.729 484 H2' C 45 1H2' C 45 -32.373 -2.281 0.753 485 HO2' C 45 2HO' C 45 -33.602 -0.860 2.180 486 H1' C 45 H1' C 45 -30.232 -0.952 1.935 487 H41 C 45 2H4 C 45 -28.209 -4.080 -3.224 488 H42 C 45 1H4 C 45 -27.958 -5.528 -2.269 489 H5 C 45 H5 C 45 -28.606 -5.686 0.090 490 H6 C 45 H6 C 45 -29.599 -4.494 1.947 491 H2 L94 46 H2 L94 46 6.752 -1.419 -0.019 492 H3 L94 46 H3 L94 46 5.140 0.355 0.061 493 H5 L94 46 H5 L94 46 4.160 -0.336 -4.118 494 H6 L94 46 H6 L94 46 5.796 -2.093 -4.209 495 H111 L94 46 1H11 L94 46 8.447 -4.268 -3.324 496 H411 L94 46 4H11 L94 46 2.902 1.146 -3.930 497 H11A L94 46 1H12 L94 46 7.191 -3.419 -4.159 498 H41A L94 46 4H12 L94 46 2.251 2.423 -2.961 499 H121 L94 46 1H21 L94 46 7.674 -3.259 -0.185 500 H424 L94 46 4H21 L94 46 4.155 1.994 -0.158 501 H131 L94 46 1H31 L94 46 9.888 -3.915 -2.064 502 H434 L94 46 4H31 L94 46 1.913 3.338 -1.396 503 H13A L94 46 1H32 L94 46 9.720 -4.434 -0.367 504 H43A L94 46 4H32 L94 46 2.433 3.408 0.295 505 H141 L94 46 1H41 L94 46 10.008 -2.088 0.386 506 H444 L94 46 4H41 L94 46 1.423 1.098 0.656 507 H14A L94 46 1H42 L94 46 10.160 -1.546 -1.285 508 H44A L94 46 4H42 L94 46 0.933 1.096 -1.035 509 H151 L94 46 1H51 L94 46 12.228 -2.909 -1.582 510 H454 L94 46 4H51 L94 46 -1.062 1.759 -0.001 511 H15A L94 46 1H52 L94 46 12.086 -3.509 0.094 512 H45A L94 46 4H52 L94 46 -0.358 3.342 -0.401 513 H161 L94 46 1H61 L94 46 12.317 -0.648 -0.656 514 H464 L94 46 4H61 L94 46 -0.263 1.922 2.211 515 H171 L94 46 1H72 L94 46 14.282 -1.889 -1.303 516 H474 L94 46 4H71 L94 46 -2.402 2.846 1.637 517 H17A L94 46 1H73 L94 46 14.387 -2.504 0.380 518 H47A L94 46 4H72 L94 46 -1.604 4.406 1.277 519 H17B L94 46 1H71 L94 46 14.591 -0.755 0.053 520 H47B L94 46 4H73 L94 46 -1.628 3.775 2.961 521 H181 L94 46 1H81 L94 46 11.220 -0.982 1.454 522 H484 L94 46 4H83 L94 46 0.869 4.543 1.385 523 H18A L94 46 1H82 L94 46 12.876 -0.337 1.687 524 H48A L94 46 4H81 L94 46 0.684 3.997 3.086 525 H18B L94 46 1H83 L94 46 12.553 -2.079 1.944 526 H48B L94 46 4H82 L94 46 1.781 3.116 1.979 Start of MODEL 3 1 H5' G 1 1H5' G 1 -25.670 2.046 -8.609 2 H5'' G 1 2H5' G 1 -25.388 1.735 -10.339 3 H4' G 1 H4' G 1 -26.401 3.913 -10.834 4 H3' G 1 H3' G 1 -26.083 4.714 -8.402 5 H2' G 1 1H2' G 1 -26.944 2.923 -7.152 6 HO2' G 1 2HO' G 1 -28.352 4.800 -6.694 7 H1' G 1 H1' G 1 -29.424 2.493 -8.701 8 H8 G 1 H8 G 1 -26.420 0.239 -9.291 9 H1 G 1 H1 G 1 -30.040 -1.529 -4.309 10 H21 G 1 1H2 G 1 -31.663 1.543 -4.863 11 H22 G 1 2H2 G 1 -31.482 0.142 -3.820 12 HO5' G 1 H5T G 1 -23.218 3.268 -7.199 13 H5' G 2 1H5' G 2 -29.669 6.303 -6.400 14 H5'' G 2 2H5' G 2 -28.786 7.716 -5.809 15 H4' G 2 H4' G 2 -29.056 6.588 -3.852 16 H3' G 2 H3' G 2 -26.616 5.066 -4.850 17 H2' G 2 1H2' G 2 -26.616 4.351 -2.499 18 HO2' G 2 2HO' G 2 -28.086 5.266 -1.040 19 H1' G 2 H1' G 2 -29.387 3.986 -2.587 20 H8 G 2 H8 G 2 -27.814 2.469 -5.633 21 H1 G 2 H1 G 2 -26.723 -0.877 -0.284 22 H21 G 2 1H2 G 2 -28.370 1.761 1.286 23 H22 G 2 2H2 G 2 -27.585 0.206 1.463 24 H5' G 3 1H5' G 3 -26.125 6.977 -1.068 25 H5'' G 3 2H5' G 3 -24.448 7.348 -0.649 26 H4' G 3 H4' G 3 -25.761 5.973 1.045 27 H3' G 3 H3' G 3 -23.208 4.784 -0.074 28 H2' G 3 1H2' G 3 -23.473 3.206 1.780 29 HO2' G 3 2HO' G 3 -24.321 4.780 3.301 30 H1' G 3 H1' G 3 -26.133 2.793 1.220 31 H8 G 3 H8 G 3 -24.479 3.059 -2.145 32 H1 G 3 H1 G 3 -23.228 -2.395 1.024 33 H21 G 3 1H2 G 3 -24.485 -0.657 3.762 34 H22 G 3 2H2 G 3 -23.751 -2.135 3.178 35 H5' A 4 1H5' A 4 -23.064 5.115 4.295 36 H5'' A 4 2H5' A 4 -21.439 5.642 4.766 37 H4' A 4 H4' A 4 -22.157 3.660 6.052 38 H3' A 4 H3' A 4 -19.870 3.236 4.110 39 H2' A 4 1H2' A 4 -19.622 1.064 5.194 40 HO2' A 4 2HO' A 4 -20.159 1.830 7.351 41 H1' A 4 H1' A 4 -22.278 0.491 5.063 42 H8 A 4 H8 A 4 -21.444 2.527 1.973 43 H61 A 4 2H6 A 4 -19.329 -2.787 -0.450 44 H62 A 4 1H6 A 4 -19.755 -1.122 -0.802 45 H2 A 4 H2 A 4 -20.063 -3.435 3.884 46 H5' A 5 1H5' A 5 -18.680 1.872 8.040 47 H5'' A 5 2H5' A 5 -17.004 2.368 8.344 48 H4' A 5 H4' A 5 -17.291 -0.054 8.708 49 H3' A 5 H3' A 5 -15.607 0.732 6.316 50 H2' A 5 1H2' A 5 -15.025 -1.626 6.199 51 HO2' A 5 2HO' A 5 -15.758 -3.065 7.805 52 H1' A 5 H1' A 5 -17.607 -2.461 6.425 53 H8 A 5 H8 A 5 -17.538 0.854 4.531 54 H61 A 5 2H6 A 5 -16.229 -2.544 -0.491 55 H62 A 5 1H6 A 5 -16.648 -0.943 0.091 56 H2 A 5 H2 A 5 -16.007 -5.199 3.068 57 H5' G 6 1H5' G 6 -13.474 -1.988 8.821 58 H5'' G 6 2H5' G 6 -11.753 -1.565 8.918 59 H4' G 6 H4' G 6 -12.055 -3.903 8.194 60 H3' G 6 H3' G 6 -10.956 -2.015 6.093 61 H2' G 6 1H2' G 6 -10.555 -4.022 4.777 62 HO2' G 6 2HO' G 6 -10.987 -6.072 5.671 63 H1' G 6 H1' G 6 -13.051 -5.012 5.196 64 H8 G 6 H8 G 6 -13.254 -1.199 5.097 65 H1 G 6 H1 G 6 -12.763 -3.955 -0.684 66 H21 G 6 1H2 G 6 -12.094 -6.846 1.157 67 H22 G 6 2H2 G 6 -12.251 -6.120 -0.426 68 H5' A 7 1H5' A 7 -8.461 -5.387 6.325 69 H5'' A 7 2H5' A 7 -6.744 -4.949 6.208 70 H4' A 7 H4' A 7 -7.403 -6.628 4.495 71 H3' A 7 H3' A 7 -6.547 -3.894 3.519 72 H2' A 7 1H2' A 7 -6.686 -4.821 1.273 73 HO2' A 7 2HO' A 7 -5.837 -6.930 1.891 74 H1' A 7 H1' A 7 -9.085 -6.042 1.656 75 H8 A 7 H8 A 7 -9.214 -2.818 3.647 76 H61 A 7 2H6 A 7 -10.693 -0.053 -1.712 77 H62 A 7 1H6 A 7 -10.600 0.152 0.025 78 H2 A 7 H2 A 7 -9.307 -4.167 -2.621 79 H5' U 8 1H5' U 8 -4.328 -6.815 1.385 80 H5'' U 8 2H5' U 8 -2.640 -6.306 1.165 81 H4' U 8 H4' U 8 -3.777 -6.807 -1.013 82 H3' U 8 H3' U 8 -2.958 -3.951 -0.465 83 H2' U 8 1H2' U 8 -3.684 -3.428 -2.707 84 HO2' U 8 2HO' U 8 -4.189 -5.119 -4.179 85 H1' U 8 H1' U 8 -5.926 -5.101 -2.629 86 H3 U 8 H3 U 8 -7.189 -0.776 -3.245 87 H5 U 8 H5 U 8 -6.470 -1.095 0.877 88 H6 U 8 H6 U 8 -5.585 -3.297 0.513 89 H5' C 9 1H5' C 9 -1.975 -3.592 -4.049 90 H5'' C 9 2H5' C 9 -0.284 -3.084 -4.217 91 H4' C 9 H4' C 9 -1.784 -1.422 -5.240 92 H3' C 9 H3' C 9 -0.296 -0.591 -2.741 93 H2' C 9 1H2' C 9 -1.229 1.573 -2.984 94 HO2' C 9 2HO' C 9 -0.840 1.728 -5.275 95 H1' C 9 H1' C 9 -3.730 0.788 -3.893 96 H41 C 9 2H4 C 9 -4.202 2.233 2.359 97 H42 C 9 1H4 C 9 -3.594 0.640 2.739 98 H5 C 9 H5 C 9 -2.768 -0.918 1.085 99 H6 C 9 H6 C 9 -2.431 -1.313 -1.240 100 H5' U 10 1H5' U 10 0.364 2.201 -6.370 101 H5'' U 10 2H5' U 10 2.118 2.451 -6.331 102 H4' U 10 H4' U 10 1.034 4.557 -6.826 103 H3' U 10 H3' U 10 2.251 4.348 -4.066 104 H2' U 10 1H2' U 10 1.763 6.711 -3.818 105 HO2' U 10 2HO' U 10 0.957 6.585 -6.561 106 H1' U 10 H1' U 10 -0.795 6.503 -4.698 107 H3 U 10 H3 U 10 -0.272 6.735 -0.031 108 H5 U 10 H5 U 10 -0.940 2.720 -1.057 109 H6 U 10 H6 U 10 -0.624 3.305 -3.363 110 H5' G 11 1H5' G 11 3.592 7.990 -5.656 111 H5'' G 11 2H5' G 11 5.369 8.021 -5.661 112 H4' G 11 H4' G 11 4.521 10.083 -4.662 113 H3' G 11 H3' G 11 5.864 8.118 -2.804 114 H2' G 11 1H2' G 11 5.642 9.749 -1.036 115 HO2' G 11 2HO' G 11 6.084 11.604 -2.425 116 H1' G 11 H1' G 11 3.041 10.324 -1.543 117 H8 G 11 H8 G 11 3.220 6.724 -2.504 118 H1 G 11 H1 G 11 3.440 7.533 3.847 119 H21 G 11 1H2 G 11 4.024 10.881 3.074 120 H22 G 11 2H2 G 11 3.854 9.673 4.331 121 H5' G 12 1H5' G 12 7.829 11.714 -1.816 122 H5'' G 12 2H5' G 12 9.580 11.415 -1.830 123 H4' G 12 H4' G 12 8.941 12.287 0.359 124 H3' G 12 H3' G 12 9.613 9.330 0.341 125 H2' G 12 1H2' G 12 9.474 9.451 2.749 126 HO2' G 12 2HO' G 12 10.426 11.626 2.896 127 H1' G 12 H1' G 12 7.118 10.794 2.758 128 H8 G 12 H8 G 12 7.187 8.448 -0.235 129 H1 G 12 H1 G 12 6.144 5.502 5.362 130 H21 G 12 1H2 G 12 6.951 8.595 6.744 131 H22 G 12 2H2 G 12 6.477 6.936 7.039 132 H5' C 13 1H5' C 13 11.880 10.961 3.489 133 H5'' C 13 2H5' C 13 13.521 10.285 3.467 134 H4' C 13 H4' C 13 12.391 9.964 5.659 135 H3' C 13 H3' C 13 12.947 7.427 4.093 136 H2' C 13 1H2' C 13 12.363 6.300 6.166 137 HO2' C 13 2HO' C 13 11.985 7.513 8.057 138 H1' C 13 H1' C 13 10.152 7.884 6.589 139 H41 C 13 2H4 C 13 8.224 2.574 3.759 140 H42 C 13 1H4 C 13 8.670 3.215 2.194 141 H5 C 13 H5 C 13 9.783 5.384 1.913 142 H6 C 13 H6 C 13 10.693 7.290 3.056 143 H5' C 14 1H5' C 14 14.635 7.277 8.057 144 H5'' C 14 2H5' C 14 16.197 6.435 8.050 145 H4' C 14 H4' C 14 14.637 5.485 9.729 146 H3' C 14 H3' C 14 15.351 3.694 7.393 147 H2' C 14 1H2' C 14 14.211 1.942 8.617 148 HO2' C 14 2HO' C 14 15.019 2.589 10.719 149 H1' C 14 H1' C 14 12.113 3.543 9.388 150 H41 C 14 2H4 C 14 10.048 0.461 4.265 151 H42 C 14 1H4 C 14 11.045 1.433 3.205 152 H5 C 14 H5 C 14 12.604 3.131 4.036 153 H6 C 14 H6 C 14 13.490 4.183 6.030 154 H5' U 15 1H5' U 15 16.207 1.651 11.310 155 H5'' U 15 2H5' U 15 17.763 0.826 11.107 156 H4' U 15 H4' U 15 16.083 -0.718 12.010 157 H3' U 15 H3' U 15 16.986 -1.252 9.174 158 H2' U 15 1H2' U 15 15.732 -3.323 9.328 159 HO2' U 15 2HO' U 15 16.348 -3.743 11.563 160 H1' U 15 H1' U 15 13.551 -2.175 10.525 161 H3 U 15 H3 U 15 12.136 -3.166 6.348 162 H5 U 15 H5 U 15 14.274 0.420 5.971 163 H6 U 15 H6 U 15 15.073 0.143 8.215 164 H5' U 16 1H5' U 16 17.518 -5.007 11.456 165 H5'' U 16 2H5' U 16 19.095 -5.661 10.972 166 H4' U 16 H4' U 16 17.396 -7.373 10.648 167 H3' U 16 H3' U 16 18.420 -6.142 8.072 168 H2' U 16 1H2' U 16 17.169 -7.870 6.933 169 HO2' U 16 2HO' U 16 17.678 -9.555 8.516 170 H1' U 16 H1' U 16 14.926 -7.563 8.481 171 H3 U 16 H3 U 16 13.753 -5.772 4.510 172 H5 U 16 H5 U 16 16.282 -2.916 6.274 173 H6 U 16 H6 U 16 16.780 -4.480 8.005 174 H5' C 17 1H5' C 17 18.903 -10.376 7.575 175 H5'' C 17 2H5' C 17 20.500 -10.673 6.861 176 H4' C 17 H4' C 17 18.748 -11.730 5.508 177 H3' C 17 H3' C 17 20.059 -9.324 4.209 178 H2' C 17 1H2' C 17 18.872 -10.038 2.198 179 HO2' C 17 2HO' C 17 19.136 -12.345 2.624 180 H1' C 17 H1' C 17 16.515 -10.389 3.515 181 H41 C 17 2H4 C 17 16.314 -4.480 1.380 182 H42 C 17 1H4 C 17 17.118 -3.902 2.820 183 H5 C 17 H5 C 17 18.028 -5.421 4.527 184 H6 C 17 H6 C 17 18.302 -7.732 5.150 185 H5' C 18 1H5' C 18 20.286 -12.609 1.398 186 H5'' C 18 2H5' C 18 21.928 -12.629 0.735 187 H4' C 18 H4' C 18 20.321 -12.651 -1.088 188 H3' C 18 H3' C 18 21.772 -10.012 -0.791 189 H2' C 18 1H2' C 18 20.780 -9.471 -2.948 190 HO2' C 18 2HO' C 18 20.983 -11.628 -3.841 191 H1' C 18 H1' C 18 18.297 -10.316 -2.226 192 H41 C 18 2H4 C 18 18.522 -4.185 -0.686 193 H42 C 18 1H4 C 18 19.129 -4.584 0.902 194 H5 C 18 H5 C 18 19.758 -6.888 1.550 195 H6 C 18 H6 C 18 19.920 -9.156 0.769 196 H5' C 19 1H5' C 19 22.466 -11.457 -4.920 197 H5'' C 19 2H5' C 19 24.170 -11.123 -5.291 198 H4' C 19 H4' C 19 22.731 -10.187 -7.039 199 H3' C 19 H3' C 19 24.043 -8.115 -5.259 200 H2' C 19 1H2' C 19 23.189 -6.499 -6.869 201 HO2' C 19 2HO' C 19 23.571 -7.911 -8.738 202 H1' C 19 H1' C 19 20.698 -7.600 -6.971 203 H41 C 19 2H4 C 19 20.720 -3.088 -2.460 204 H42 C 19 1H4 C 19 21.227 -4.267 -1.272 205 H5 C 19 H5 C 19 21.779 -6.585 -1.837 206 H6 C 19 H6 C 19 22.003 -8.159 -3.652 207 H5' A 20 1H5' A 20 24.800 -6.392 -8.636 208 H5'' A 20 2H5' A 20 26.472 -5.812 -8.767 209 H4' A 20 H4' A 20 24.804 -3.954 -8.850 210 H3' A 20 H3' A 20 26.765 -4.071 -6.569 211 H2' A 20 1H2' A 20 25.824 -2.040 -5.701 212 HO2' A 20 2HO' A 20 24.321 -0.836 -6.926 213 H1' A 20 H1' A 20 23.232 -2.719 -6.054 214 H8 A 20 H8 A 20 24.671 -5.969 -4.961 215 H61 A 20 2H6 A 20 25.086 -3.486 0.728 216 H62 A 20 1H6 A 20 25.146 -4.983 -0.180 217 H2 A 20 H2 A 20 24.301 -0.206 -2.181 218 H5' C 21 1H5' C 21 26.829 -0.197 -7.207 219 H5'' C 21 2H5' C 21 28.446 0.489 -7.219 220 H4' C 21 H4' C 21 26.833 1.265 -5.408 221 H3' C 21 H3' C 21 29.506 1.289 -5.345 222 H2' C 21 1H2' C 21 29.662 -1.050 -4.682 223 HO2' C 21 2HO' C 21 31.060 0.259 -3.353 224 H1' C 21 H1' C 21 27.783 -0.243 -2.453 225 H41 C 21 2H4 C 21 28.383 -6.494 -1.286 226 H42 C 21 1H4 C 21 28.253 -6.872 -2.993 227 H5 C 21 H5 C 21 28.022 -5.103 -4.737 228 H6 C 21 H6 C 21 27.846 -2.782 -5.091 229 H5' A 22 1H5' A 22 30.519 5.448 -3.471 230 H5'' A 22 2H5' A 22 29.577 5.741 -1.990 231 H4' A 22 H4' A 22 29.220 7.619 -3.461 232 H3' A 22 H3' A 22 27.105 6.357 -2.404 233 H2' A 22 1H2' A 22 26.877 4.730 -4.169 234 HO2' A 22 2HO' A 22 25.265 6.935 -4.861 235 H1' A 22 H1' A 22 27.167 6.842 -6.275 236 H8 A 22 H8 A 22 28.805 3.454 -5.214 237 H61 A 22 2H6 A 22 27.431 1.597 -10.949 238 H62 A 22 1H6 A 22 28.261 1.162 -9.468 239 H2 A 22 H2 A 22 25.757 5.649 -10.355 240 H5' A 23 1H5' A 23 25.104 9.184 -5.682 241 H5'' A 23 2H5' A 23 23.632 9.896 -4.991 242 H4' A 23 H4' A 23 23.155 8.823 -7.157 243 H3' A 23 H3' A 23 21.955 7.440 -4.749 244 H2' A 23 1H2' A 23 20.970 5.883 -6.258 245 HO2' A 23 2HO' A 23 20.332 7.391 -7.891 246 H1' A 23 H1' A 23 23.125 5.542 -7.857 247 H8 A 23 H8 A 23 23.056 5.805 -3.952 248 H61 A 23 2H6 A 23 23.172 -0.344 -4.170 249 H62 A 23 1H6 A 23 22.879 1.058 -3.159 250 H2 A 23 H2 A 23 23.772 1.168 -8.296 251 H5' G 24 1H5' G 24 17.338 6.207 -5.561 252 H5'' G 24 2H5' G 24 18.936 5.696 -4.976 253 H4' G 24 H4' G 24 18.215 5.295 -7.885 254 H3' G 24 H3' G 24 17.371 3.592 -5.532 255 H2' G 24 1H2' G 24 17.544 1.691 -7.050 256 HO2' G 24 2HO' G 24 16.829 2.869 -8.971 257 H1' G 24 H1' G 24 20.072 2.411 -7.845 258 H8 G 24 H8 G 24 19.721 3.667 -4.295 259 H1 G 24 H1 G 24 20.380 -2.710 -4.639 260 H21 G 24 1H2 G 24 19.926 -2.221 -8.060 261 H22 G 24 2H2 G 24 20.202 -3.370 -6.767 262 H5' G 25 1H5' G 25 15.213 2.153 -8.793 263 H5'' G 25 2H5' G 25 13.529 1.818 -8.340 264 H4' G 25 H4' G 25 14.620 -0.161 -9.333 265 H3' G 25 H3' G 25 13.972 -0.410 -6.382 266 H2' G 25 1H2' G 25 14.507 -2.777 -6.717 267 HO2' G 25 2HO' G 25 13.636 -2.887 -8.909 268 H1' G 25 H1' G 25 16.852 -2.217 -7.960 269 H8 G 25 H8 G 25 16.329 0.576 -5.456 270 H1 G 25 H1 G 25 18.001 -5.004 -2.744 271 H21 G 25 1H2 G 25 17.435 -6.308 -5.934 272 H22 G 25 2H2 G 25 17.895 -6.637 -4.276 273 H5' G 26 1H5' G 26 12.236 -3.771 -8.464 274 H5'' G 26 2H5' G 26 10.614 -4.061 -7.808 275 H4' G 26 H4' G 26 11.927 -6.126 -7.775 276 H3' G 26 H3' G 26 11.390 -4.923 -5.043 277 H2' G 26 1H2' G 26 12.223 -7.070 -4.196 278 HO2' G 26 2HO' G 26 11.330 -8.362 -5.960 279 H1' G 26 H1' G 26 14.451 -6.961 -5.706 280 H8 G 26 H8 G 26 13.554 -3.353 -4.987 281 H1 G 26 H1 G 26 15.958 -6.432 0.107 282 H21 G 26 1H2 G 26 15.507 -9.283 -1.840 283 H22 G 26 2H2 G 26 15.991 -8.624 -0.292 284 H5' A 27 1H5' A 27 10.043 -9.010 -4.889 285 H5'' A 27 2H5' A 27 8.402 -8.978 -4.225 286 H4' A 27 H4' A 27 9.695 -10.643 -3.036 287 H3' A 27 H3' A 27 9.134 -8.141 -1.422 288 H2' A 27 1H2' A 27 9.979 -9.413 0.478 289 HO2' A 27 2HO' A 27 9.077 -11.476 -0.264 290 H1' A 27 H1' A 27 12.209 -10.240 -0.849 291 H8 A 27 H8 A 27 11.547 -6.873 -2.337 292 H61 A 27 2H6 A 27 14.017 -4.432 2.788 293 H62 A 27 1H6 A 27 13.433 -4.090 1.179 294 H2 A 27 H2 A 27 13.214 -8.730 3.569 295 H5' A 28 1H5' A 28 7.895 -11.302 1.021 296 H5'' A 28 2H5' A 28 6.293 -10.936 1.690 297 H4' A 28 H4' A 28 7.881 -11.443 3.499 298 H3' A 28 H3' A 28 7.015 -8.543 3.315 299 H2' A 28 1H2' A 28 8.088 -8.299 5.491 300 HO2' A 28 2HO' A 28 7.472 -10.458 6.256 301 H1' A 28 H1' A 28 10.376 -9.524 4.663 302 H8 A 28 H8 A 28 8.946 -7.682 1.668 303 H61 A 28 2H6 A 28 11.571 -2.643 4.183 304 H62 A 28 1H6 A 28 10.712 -3.263 2.791 305 H2 A 28 H2 A 28 11.770 -5.935 7.155 306 H5' G 29 1H5' G 29 6.293 -9.370 7.231 307 H5'' G 29 2H5' G 29 4.670 -8.811 7.688 308 H4' G 29 H4' G 29 6.368 -7.822 9.159 309 H3' G 29 H3' G 29 5.115 -5.843 7.226 310 H2' G 29 1H2' G 29 6.202 -4.170 8.607 311 HO2' G 29 2HO' G 29 7.271 -4.794 10.524 312 H1' G 29 H1' G 29 8.568 -5.580 8.728 313 H8 G 29 H8 G 29 7.236 -5.941 5.194 314 H1 G 29 H1 G 29 9.804 -0.186 6.436 315 H21 G 29 1H2 G 29 9.857 -1.316 9.734 316 H22 G 29 2H2 G 29 10.221 -0.008 8.630 317 H5' G 30 1H5' G 30 4.637 -4.513 11.251 318 H5'' G 30 2H5' G 30 3.048 -3.762 11.485 319 H4' G 30 H4' G 30 4.895 -2.284 12.235 320 H3' G 30 H3' G 30 3.307 -1.338 9.834 321 H2' G 30 1H2' G 30 4.523 0.743 10.083 322 HO2' G 30 2HO' G 30 4.470 0.795 12.401 323 H1' G 30 H1' G 30 6.944 -0.477 10.561 324 H8 G 30 H8 G 30 5.142 -2.367 7.783 325 H1 G 30 H1 G 30 7.973 3.095 5.930 326 H21 G 30 1H2 G 30 8.336 3.642 9.353 327 H22 G 30 2H2 G 30 8.613 4.248 7.736 328 H5' C 31 1H5' C 31 3.382 1.635 13.099 329 H5'' C 31 2H5' C 31 1.815 2.459 13.182 330 H4' C 31 H4' C 31 3.764 4.039 13.039 331 H3' C 31 H3' C 31 1.746 4.022 10.784 332 H2' C 31 1H2' C 31 2.918 5.922 9.892 333 HO2' C 31 2HO' C 31 3.183 7.021 11.909 334 H1' C 31 H1' C 31 5.454 4.986 10.578 335 H41 C 31 2H4 C 31 5.086 3.812 4.394 336 H42 C 31 1H4 C 31 4.003 2.473 4.688 337 H5 C 31 H5 C 31 3.115 1.956 6.848 338 H6 C 31 H6 C 31 3.120 2.527 9.210 339 H5' C 32 1H5' C 32 2.082 8.244 12.545 340 H5'' C 32 2H5' C 32 0.442 8.914 12.477 341 H4' C 32 H4' C 32 2.007 10.438 11.372 342 H3' C 32 H3' C 32 0.129 8.986 9.487 343 H2' C 32 1H2' C 32 1.014 10.456 7.759 344 HO2' C 32 2HO' C 32 1.171 12.335 9.171 345 H1' C 32 H1' C 32 3.616 10.101 8.498 346 H41 C 32 2H4 C 32 2.643 5.455 4.284 347 H42 C 32 1H4 C 32 1.610 4.591 5.406 348 H5 C 32 H5 C 32 0.996 5.460 7.578 349 H6 C 32 H6 C 32 1.269 7.313 9.104 350 H5' A 33 1H5' A 33 -0.282 13.129 8.449 351 H5'' A 33 2H5' A 33 -1.987 13.446 8.070 352 H4' A 33 H4' A 33 -0.529 14.045 6.184 353 H3' A 33 H3' A 33 -2.306 11.637 5.696 354 H2' A 33 1H2' A 33 -1.544 11.812 3.379 355 HO2' A 33 2HO' A 33 -1.437 14.192 3.411 356 H1' A 33 H1' A 33 1.067 11.957 4.065 357 H8 A 33 H8 A 33 -0.607 9.811 6.714 358 H61 A 33 2H6 A 33 -0.491 5.237 2.536 359 H62 A 33 1H6 A 33 -0.750 5.629 4.231 360 H2 A 33 H2 A 33 0.677 8.994 0.487 361 H5' G 34 1H5' G 34 -2.731 13.564 2.283 362 H5'' G 34 2H5' G 34 -4.434 13.841 1.879 363 H4' G 34 H4' G 34 -3.168 12.645 0.075 364 H3' G 34 H3' G 34 -5.430 11.158 1.431 365 H2' G 34 1H2' G 34 -5.113 9.499 -0.307 366 HO2' G 34 2HO' G 34 -4.941 11.046 -2.030 367 H1' G 34 H1' G 34 -2.322 9.814 -0.403 368 H8 G 34 H8 G 34 -3.019 9.148 3.181 369 H1 G 34 H1 G 34 -4.062 4.015 -0.548 370 H21 G 34 1H2 G 34 -3.722 6.252 -3.166 371 H22 G 34 2H2 G 34 -3.975 4.592 -2.673 372 H5' G 35 1H5' G 35 -9.108 9.795 -0.393 373 H5'' G 35 2H5' G 35 -7.697 9.314 0.565 374 H4' G 35 H4' G 35 -7.866 8.481 -2.331 375 H3' G 35 H3' G 35 -9.586 7.398 -0.111 376 H2' G 35 1H2' G 35 -9.108 5.153 -0.753 377 HO2' G 35 2HO' G 35 -9.207 5.714 -3.083 378 H1' G 35 H1' G 35 -6.447 5.433 -1.125 379 H8 G 35 H8 G 35 -6.437 7.706 1.661 380 H1 G 35 H1 G 35 -8.450 1.948 3.638 381 H21 G 35 1H2 G 35 -8.615 1.206 0.251 382 H22 G 35 2H2 G 35 -8.866 0.643 1.892 383 H5' G 36 1H5' G 36 -12.528 9.832 -4.399 384 H5'' G 36 2H5' G 36 -12.964 8.246 -5.042 385 H4' G 36 H4' G 36 -10.177 9.388 -4.602 386 H3' G 36 H3' G 36 -12.048 9.112 -6.798 387 H2' G 36 1H2' G 36 -11.066 7.530 -8.144 388 HO2' G 36 2HO' G 36 -9.034 8.604 -8.222 389 H1' G 36 H1' G 36 -9.737 5.925 -6.309 390 H8 G 36 H8 G 36 -12.124 5.782 -3.962 391 H1 G 36 H1 G 36 -15.037 4.079 -9.429 392 H21 G 36 1H2 G 36 -12.301 5.601 -10.957 393 H22 G 36 2H2 G 36 -13.804 4.732 -11.176 394 H5' A 37 1H5' A 37 -7.730 11.063 -9.172 395 H5'' A 37 2H5' A 37 -8.409 10.771 -10.786 396 H4' A 37 H4' A 37 -6.413 9.529 -10.807 397 H3' A 37 H3' A 37 -8.546 7.590 -9.885 398 H2' A 37 1H2' A 37 -6.783 5.939 -9.957 399 HO2' A 37 2HO' A 37 -4.827 6.389 -11.022 400 H1' A 37 H1' A 37 -4.773 7.716 -9.110 401 H8 A 37 H8 A 37 -7.037 8.493 -6.463 402 H61 A 37 2H6 A 37 -5.812 3.059 -3.773 403 H62 A 37 1H6 A 37 -6.552 4.636 -3.563 404 H2 A 37 H2 A 37 -4.461 2.812 -7.992 405 H5' A 38 1H5' A 38 -10.177 4.150 -12.634 406 H5'' A 38 2H5' A 38 -10.228 4.777 -10.970 407 H4' A 38 H4' A 38 -8.103 2.856 -12.026 408 H3' A 38 H3' A 38 -10.617 2.437 -10.373 409 H2' A 38 1H2' A 38 -9.445 0.771 -9.170 410 HO2' A 38 2HO' A 38 -8.616 -0.286 -11.088 411 H1' A 38 H1' A 38 -6.906 1.980 -9.431 412 H8 A 38 H8 A 38 -9.173 4.478 -7.840 413 H61 A 38 2H6 A 38 -8.386 1.351 -2.539 414 H62 A 38 1H6 A 38 -9.005 2.832 -3.248 415 H2 A 38 H2 A 38 -6.860 -1.155 -5.871 416 H5' U 39 1H5' U 39 -9.381 -1.453 -11.648 417 H5'' U 39 2H5' U 39 -10.804 -2.465 -11.937 418 H4' U 39 H4' U 39 -9.221 -3.393 -10.213 419 H3' U 39 H3' U 39 -12.008 -2.653 -9.293 420 H2' U 39 1H2' U 39 -11.444 -3.735 -7.241 421 HO2' U 39 2HO' U 39 -10.470 -5.609 -8.134 422 H1' U 39 H1' U 39 -8.756 -2.906 -7.340 423 H3 U 39 H3 U 39 -10.394 -1.498 -3.372 424 H5 U 39 H5 U 39 -12.056 1.146 -6.183 425 H6 U 39 H6 U 39 -11.153 -0.243 -7.943 426 H5' C 40 1H5' C 40 -10.928 -7.103 -8.749 427 H5'' C 40 2H5' C 40 -12.431 -7.982 -9.081 428 H4' C 40 H4' C 40 -11.453 -8.834 -7.024 429 H3' C 40 H3' C 40 -13.943 -7.153 -6.642 430 H2' C 40 1H2' C 40 -13.860 -7.827 -4.324 431 HO2' C 40 2HO' C 40 -13.231 -10.011 -4.639 432 H1' C 40 H1' C 40 -11.183 -7.497 -4.047 433 H41 C 40 2H4 C 40 -13.414 -2.048 -1.907 434 H42 C 40 1H4 C 40 -13.778 -1.474 -3.517 435 H5 C 40 H5 C 40 -13.497 -2.883 -5.523 436 H6 C 40 H6 C 40 -12.818 -5.072 -6.297 437 H5' U 41 1H5' U 41 -14.164 -11.232 -4.830 438 H5'' U 41 2H5' U 41 -15.840 -11.803 -4.831 439 H4' U 41 H4' U 41 -14.812 -11.895 -2.567 440 H3' U 41 H3' U 41 -17.096 -9.940 -2.938 441 H2' U 41 1H2' U 41 -17.005 -9.700 -0.515 442 HO2' U 41 2HO' U 41 -15.619 -11.018 0.713 443 H1' U 41 H1' U 41 -14.301 -9.443 -0.443 444 H3 U 41 H3 U 41 -15.640 -5.270 0.408 445 H5 U 41 H5 U 41 -15.971 -5.691 -3.760 446 H6 U 41 H6 U 41 -15.641 -8.053 -3.504 447 H5' U 42 1H5' U 42 -17.776 -12.541 0.392 448 H5'' U 42 2H5' U 42 -19.492 -12.944 0.573 449 H4' U 42 H4' U 42 -18.588 -11.944 2.641 450 H3' U 42 H3' U 42 -20.595 -10.260 1.127 451 H2' U 42 1H2' U 42 -20.582 -8.800 3.062 452 HO2' U 42 2HO' U 42 -19.423 -9.411 4.942 453 H1' U 42 H1' U 42 -17.821 -8.828 3.281 454 H3 U 42 H3 U 42 -18.975 -4.704 1.775 455 H5 U 42 H5 U 42 -18.823 -7.177 -1.622 456 H6 U 42 H6 U 42 -18.747 -9.079 -0.177 457 H5' C 43 1H5' C 43 -22.019 -10.277 5.001 458 H5'' C 43 2H5' C 43 -23.720 -10.792 5.010 459 H4' C 43 H4' C 43 -23.564 -8.691 6.208 460 H3' C 43 H3' C 43 -24.761 -8.391 3.437 461 H2' C 43 1H2' C 43 -25.341 -6.145 4.156 462 HO2' C 43 2HO' C 43 -24.961 -5.499 6.298 463 H1' C 43 H1' C 43 -22.877 -5.653 5.212 464 H41 C 43 2H4 C 43 -22.565 -3.596 -0.771 465 H42 C 43 1H4 C 43 -22.256 -5.214 -1.357 466 H5 C 43 H5 C 43 -22.295 -7.181 0.095 467 H6 C 43 H6 C 43 -22.623 -7.945 2.367 468 H5' C 44 1H5' C 44 -27.297 -6.805 6.461 469 H5'' C 44 2H5' C 44 -29.017 -6.997 6.078 470 H4' C 44 H4' C 44 -28.406 -4.630 6.525 471 H3' C 44 H3' C 44 -29.233 -5.249 3.674 472 H2' C 44 1H2' C 44 -29.333 -2.821 3.441 473 HO2' C 44 2HO' C 44 -30.145 -2.453 5.631 474 H1' C 44 H1' C 44 -26.881 -2.469 4.632 475 H41 C 44 2H4 C 44 -25.779 -2.807 -1.544 476 H42 C 44 1H4 C 44 -25.675 -4.547 -1.476 477 H5 C 44 H5 C 44 -26.206 -5.829 0.552 478 H6 C 44 H6 C 44 -26.890 -5.637 2.871 479 H5' C 45 1H5' C 45 -31.529 -2.097 4.444 480 H5'' C 45 2H5' C 45 -33.234 -2.477 4.144 481 H4' C 45 H4' C 45 -32.607 -0.470 2.900 482 H3' C 45 H3' C 45 -33.021 -2.919 1.153 483 HO3' C 45 H3T C 45 -35.093 -1.959 0.950 484 H2' C 45 1H2' C 45 -32.905 -1.397 -0.692 485 HO2' C 45 2HO' C 45 -34.186 0.289 0.323 486 H1' C 45 H1' C 45 -30.814 0.083 0.385 487 H41 C 45 2H4 C 45 -28.511 -3.990 -3.925 488 H42 C 45 1H4 C 45 -28.392 -5.245 -2.706 489 H5 C 45 H5 C 45 -29.231 -4.949 -0.419 490 H6 C 45 H6 C 45 -30.319 -3.413 1.100 491 H2 L94 46 H2 L94 46 8.206 -2.065 -2.405 492 H3 L94 46 H3 L94 46 7.473 0.202 -2.694 493 H5 L94 46 H5 L94 46 3.691 -0.777 -0.783 494 H6 L94 46 H6 L94 46 4.421 -3.047 -0.503 495 H111 L94 46 1H11 L94 46 5.201 -4.807 -0.187 496 H411 L94 46 4H11 L94 46 5.456 3.108 -2.683 497 H11A L94 46 1H12 L94 46 6.428 -5.975 -0.576 498 H41A L94 46 4H12 L94 46 6.850 2.070 -2.633 499 H121 L94 46 1H21 L94 46 8.329 -4.422 -2.563 500 H424 L94 46 4H21 L94 46 3.089 1.124 -1.619 501 H131 L94 46 1H31 L94 46 9.733 -5.711 -1.212 502 H434 L94 46 4H31 L94 46 3.664 3.764 -1.342 503 H13A L94 46 1H32 L94 46 8.593 -5.572 0.141 504 H43A L94 46 4H32 L94 46 4.522 3.067 0.054 505 H141 L94 46 1H41 L94 46 10.564 -4.265 0.684 506 H444 L94 46 4H41 L94 46 1.572 2.559 -0.540 507 H14A L94 46 1H42 L94 46 9.232 -3.149 0.383 508 H44A L94 46 4H42 L94 46 2.179 3.806 0.556 509 H151 L94 46 1H51 L94 46 10.099 -2.836 -1.998 510 H454 L94 46 4H51 L94 46 3.418 1.968 1.855 511 H15A L94 46 1H52 L94 46 11.500 -3.856 -1.573 512 H45A L94 46 4H52 L94 46 2.563 0.769 0.850 513 H161 L94 46 1H61 L94 46 10.712 -1.321 -0.236 514 H464 L94 46 4H61 L94 46 1.458 1.125 2.923 515 H171 L94 46 1H72 L94 46 12.700 -0.411 -1.230 516 H474 L94 46 4H71 L94 46 -0.077 2.369 0.706 517 H17A L94 46 1H73 L94 46 11.553 -1.007 -2.477 518 H47A L94 46 4H72 L94 46 -0.767 1.625 2.182 519 H17B L94 46 1H71 L94 46 12.987 -1.987 -2.034 520 H47B L94 46 4H73 L94 46 0.115 0.608 0.991 521 H181 L94 46 1H81 L94 46 11.752 -2.895 1.294 522 H484 L94 46 4H83 L94 46 0.464 3.192 3.580 523 H18A L94 46 1H82 L94 46 12.808 -1.490 0.934 524 H48A L94 46 4H81 L94 46 2.241 3.371 3.372 525 H18B L94 46 1H83 L94 46 13.094 -3.061 0.114 526 H48B L94 46 4H82 L94 46 1.127 3.967 2.105 Start of MODEL 4 1 H5' G 1 1H5' G 1 -26.515 2.173 -7.971 2 H5'' G 1 2H5' G 1 -26.373 2.174 -9.743 3 H4' G 1 H4' G 1 -27.944 4.044 -9.828 4 H3' G 1 H3' G 1 -27.534 4.658 -7.356 5 H2' G 1 1H2' G 1 -27.711 2.546 -6.321 6 HO2' G 1 2HO' G 1 -29.447 3.947 -5.416 7 H1' G 1 H1' G 1 -30.254 1.747 -7.626 8 H8 G 1 H8 G 1 -26.882 0.289 -8.687 9 H1 G 1 H1 G 1 -29.731 -2.818 -3.853 10 H21 G 1 1H2 G 1 -31.957 -0.098 -3.915 11 H22 G 1 2H2 G 1 -31.439 -1.557 -3.081 12 HO5' G 1 H5T G 1 -24.288 3.799 -6.581 13 H5' G 2 1H5' G 2 -31.155 4.911 -4.835 14 H5'' G 2 2H5' G 2 -30.661 6.451 -4.117 15 H4' G 2 H4' G 2 -30.341 5.095 -2.320 16 H3' G 2 H3' G 2 -27.719 4.548 -3.771 17 H2' G 2 1H2' G 2 -27.159 3.472 -1.669 18 HO2' G 2 2HO' G 2 -28.051 5.028 -0.247 19 H1' G 2 H1' G 2 -29.758 2.443 -1.393 20 H8 G 2 H8 G 2 -28.021 1.796 -4.730 21 H1 G 2 H1 G 2 -26.522 -2.339 -0.081 22 H21 G 2 1H2 G 2 -28.477 -0.269 1.929 23 H22 G 2 2H2 G 2 -27.486 -1.710 1.830 24 H5' G 3 1H5' G 3 -24.382 5.795 0.080 25 H5'' G 3 2H5' G 3 -24.651 4.485 -1.090 26 H4' G 3 H4' G 3 -26.003 4.547 1.638 27 H3' G 3 H3' G 3 -23.347 3.366 0.793 28 H2' G 3 1H2' G 3 -23.750 1.683 2.510 29 HO2' G 3 2HO' G 3 -24.803 3.156 4.019 30 H1' G 3 H1' G 3 -26.295 1.191 1.645 31 H8 G 3 H8 G 3 -24.730 1.889 -1.611 32 H1 G 3 H1 G 3 -22.615 -3.590 0.994 33 H21 G 3 1H2 G 3 -24.019 -2.326 3.918 34 H22 G 3 2H2 G 3 -23.121 -3.629 3.164 35 H5' A 4 1H5' A 4 -23.289 3.309 4.978 36 H5'' A 4 2H5' A 4 -21.777 4.028 5.567 37 H4' A 4 H4' A 4 -22.124 1.833 6.588 38 H3' A 4 H3' A 4 -19.868 1.968 4.573 39 H2' A 4 1H2' A 4 -19.289 -0.269 5.336 40 HO2' A 4 2HO' A 4 -19.829 0.120 7.589 41 H1' A 4 H1' A 4 -21.845 -1.191 5.192 42 H8 A 4 H8 A 4 -21.470 1.326 2.383 43 H61 A 4 2H6 A 4 -18.757 -3.256 -0.806 44 H62 A 4 1H6 A 4 -19.434 -1.643 -0.908 45 H2 A 4 H2 A 4 -19.132 -4.552 3.429 46 H5' A 5 1H5' A 5 -18.340 0.314 8.284 47 H5'' A 5 2H5' A 5 -16.739 1.010 8.603 48 H4' A 5 H4' A 5 -16.652 -1.449 8.661 49 H3' A 5 H3' A 5 -15.236 -0.144 6.321 50 H2' A 5 1H2' A 5 -14.330 -2.363 5.887 51 HO2' A 5 2HO' A 5 -14.788 -4.075 7.328 52 H1' A 5 H1' A 5 -16.757 -3.583 6.093 53 H8 A 5 H8 A 5 -17.241 -0.071 4.670 54 H61 A 5 2H6 A 5 -15.767 -2.549 -0.821 55 H62 A 5 1H6 A 5 -16.361 -1.117 -0.003 56 H2 A 5 H2 A 5 -14.997 -5.600 2.326 57 H5' G 6 1H5' G 6 -12.589 -2.796 8.361 58 H5'' G 6 2H5' G 6 -10.941 -2.145 8.428 59 H4' G 6 H4' G 6 -10.975 -4.404 7.431 60 H3' G 6 H3' G 6 -10.280 -2.154 5.525 61 H2' G 6 1H2' G 6 -9.700 -3.932 3.958 62 HO2' G 6 2HO' G 6 -9.812 -6.109 4.630 63 H1' G 6 H1' G 6 -12.020 -5.282 4.370 64 H8 G 6 H8 G 6 -12.743 -1.554 4.758 65 H1 G 6 H1 G 6 -12.169 -3.504 -1.337 66 H21 G 6 1H2 G 6 -11.027 -6.473 0.104 67 H22 G 6 2H2 G 6 -11.348 -5.590 -1.371 68 H5' A 7 1H5' A 7 -7.370 -5.148 5.167 69 H5'' A 7 2H5' A 7 -5.737 -4.473 5.018 70 H4' A 7 H4' A 7 -6.304 -6.007 3.145 71 H3' A 7 H3' A 7 -5.869 -3.087 2.475 72 H2' A 7 1H2' A 7 -6.041 -3.747 0.147 73 HO2' A 7 2HO' A 7 -6.176 -5.947 -0.415 74 H1' A 7 H1' A 7 -8.249 -5.298 0.500 75 H8 A 7 H8 A 7 -8.673 -2.416 2.906 76 H61 A 7 2H6 A 7 -10.731 0.824 -1.976 77 H62 A 7 1H6 A 7 -10.630 0.786 -0.227 78 H2 A 7 H2 A 7 -8.821 -2.883 -3.485 79 H5' U 8 1H5' U 8 -3.591 -5.542 -0.068 80 H5'' U 8 2H5' U 8 -1.966 -4.906 -0.394 81 H4' U 8 H4' U 8 -3.272 -5.360 -2.491 82 H3' U 8 H3' U 8 -2.454 -2.529 -1.830 83 H2' U 8 1H2' U 8 -3.452 -1.823 -3.892 84 HO2' U 8 2HO' U 8 -2.525 -3.706 -5.058 85 H1' U 8 H1' U 8 -5.616 -3.599 -3.817 86 H3 U 8 H3 U 8 -7.152 0.688 -3.860 87 H5 U 8 H5 U 8 -6.004 0.008 0.120 88 H6 U 8 H6 U 8 -5.051 -2.098 -0.555 89 H5' C 9 1H5' C 9 -1.971 -1.948 -5.526 90 H5'' C 9 2H5' C 9 -0.329 -1.387 -5.887 91 H4' C 9 H4' C 9 -2.039 0.294 -6.555 92 H3' C 9 H3' C 9 -0.018 0.893 -4.414 93 H2' C 9 1H2' C 9 -0.996 2.966 -3.938 94 HO2' C 9 2HO' C 9 -0.949 3.670 -6.147 95 H1' C 9 H1' C 9 -3.635 2.390 -4.758 96 H41 C 9 2H4 C 9 -4.282 2.957 1.521 97 H42 C 9 1H4 C 9 -3.465 1.425 1.750 98 H5 C 9 H5 C 9 -2.272 0.270 -0.028 99 H6 C 9 H6 C 9 -1.874 0.199 -2.396 100 H5' U 10 1H5' U 10 -0.250 4.214 -7.620 101 H5'' U 10 2H5' U 10 1.454 4.586 -7.942 102 H4' U 10 H4' U 10 0.292 6.674 -7.640 103 H3' U 10 H3' U 10 1.959 5.909 -5.224 104 H2' U 10 1H2' U 10 1.567 8.202 -4.511 105 HO2' U 10 2HO' U 10 1.705 9.078 -6.717 106 H1' U 10 H1' U 10 -1.113 8.093 -5.125 107 H3 U 10 H3 U 10 -0.478 8.113 -0.571 108 H5 U 10 H5 U 10 -0.246 4.082 -1.732 109 H6 U 10 H6 U 10 -0.231 4.796 -4.033 110 H5' G 11 1H5' G 11 3.259 9.634 -5.997 111 H5'' G 11 2H5' G 11 5.032 9.670 -6.079 112 H4' G 11 H4' G 11 4.240 11.312 -4.448 113 H3' G 11 H3' G 11 5.556 8.877 -3.203 114 H2' G 11 1H2' G 11 5.540 10.207 -1.166 115 HO2' G 11 2HO' G 11 6.027 12.245 -2.218 116 H1' G 11 H1' G 11 2.948 11.041 -1.543 117 H8 G 11 H8 G 11 3.042 7.418 -2.634 118 H1 G 11 H1 G 11 3.304 8.183 3.741 119 H21 G 11 1H2 G 11 3.838 11.539 2.967 120 H22 G 11 2H2 G 11 3.688 10.329 4.222 121 H5' G 12 1H5' G 12 7.729 12.425 -1.918 122 H5'' G 12 2H5' G 12 9.461 12.043 -1.934 123 H4' G 12 H4' G 12 8.811 12.939 0.255 124 H3' G 12 H3' G 12 9.465 9.977 0.241 125 H2' G 12 1H2' G 12 9.379 10.150 2.659 126 HO2' G 12 2HO' G 12 10.343 12.317 2.745 127 H1' G 12 H1' G 12 7.020 11.509 2.665 128 H8 G 12 H8 G 12 7.079 9.026 -0.228 129 H1 G 12 H1 G 12 6.002 6.397 5.527 130 H21 G 12 1H2 G 12 6.873 9.542 6.730 131 H22 G 12 2H2 G 12 6.381 7.909 7.121 132 H5' C 13 1H5' C 13 11.860 11.682 3.300 133 H5'' C 13 2H5' C 13 13.486 10.974 3.240 134 H4' C 13 H4' C 13 12.449 10.741 5.478 135 H3' C 13 H3' C 13 12.849 8.142 3.970 136 H2' C 13 1H2' C 13 12.321 7.098 6.097 137 HO2' C 13 2HO' C 13 12.044 8.384 7.963 138 H1' C 13 H1' C 13 10.178 8.760 6.559 139 H41 C 13 2H4 C 13 8.000 3.444 3.913 140 H42 C 13 1H4 C 13 8.409 4.040 2.319 141 H5 C 13 H5 C 13 9.564 6.171 1.957 142 H6 C 13 H6 C 13 10.577 8.069 3.029 143 H5' C 14 1H5' C 14 14.673 7.988 7.821 144 H5'' C 14 2H5' C 14 16.185 7.061 7.797 145 H4' C 14 H4' C 14 14.574 6.222 9.506 146 H3' C 14 H3' C 14 15.220 4.354 7.207 147 H2' C 14 1H2' C 14 14.010 2.678 8.486 148 HO2' C 14 2HO' C 14 14.840 3.366 10.564 149 H1' C 14 H1' C 14 11.978 4.382 9.193 150 H41 C 14 2H4 C 14 9.823 1.205 4.176 151 H42 C 14 1H4 C 14 10.805 2.150 3.082 152 H5 C 14 H5 C 14 12.403 3.844 3.855 153 H6 C 14 H6 C 14 13.333 4.924 5.817 154 H5' U 15 1H5' U 15 15.926 2.423 11.165 155 H5'' U 15 2H5' U 15 17.426 1.486 11.032 156 H4' U 15 H4' U 15 15.604 0.111 11.960 157 H3' U 15 H3' U 15 16.593 -0.637 9.201 158 H2' U 15 1H2' U 15 15.196 -2.605 9.396 159 HO2' U 15 2HO' U 15 15.684 -2.961 11.668 160 H1' U 15 H1' U 15 13.051 -1.260 10.450 161 H3 U 15 H3 U 15 11.733 -2.407 6.276 162 H5 U 15 H5 U 15 14.028 1.073 5.812 163 H6 U 15 H6 U 15 14.749 0.858 8.091 164 H5' U 16 1H5' U 16 16.768 -4.230 11.749 165 H5'' U 16 2H5' U 16 18.297 -5.054 11.387 166 H4' U 16 H4' U 16 16.445 -6.625 11.110 167 H3' U 16 H3' U 16 17.741 -5.708 8.531 168 H2' U 16 1H2' U 16 16.381 -7.368 7.424 169 HO2' U 16 2HO' U 16 16.620 -8.994 9.105 170 H1' U 16 H1' U 16 14.096 -6.759 8.818 171 H3 U 16 H3 U 16 13.266 -5.183 4.672 172 H5 U 16 H5 U 16 15.933 -2.416 6.363 173 H6 U 16 H6 U 16 16.227 -3.889 8.218 174 H5' C 17 1H5' C 17 17.820 -10.048 8.519 175 H5'' C 17 2H5' C 17 19.398 -10.579 7.909 176 H4' C 17 H4' C 17 17.574 -11.598 6.612 177 H3' C 17 H3' C 17 19.196 -9.519 5.116 178 H2' C 17 1H2' C 17 17.995 -10.309 3.142 179 HO2' C 17 2HO' C 17 17.969 -12.571 3.844 180 H1' C 17 H1' C 17 15.573 -10.239 4.379 181 H41 C 17 2H4 C 17 16.079 -4.588 1.679 182 H42 C 17 1H4 C 17 16.925 -3.965 3.074 183 H5 C 17 H5 C 17 17.644 -5.400 4.941 184 H6 C 17 H6 C 17 17.645 -7.649 5.794 185 H5' C 18 1H5' C 18 19.113 -13.100 2.700 186 H5'' C 18 2H5' C 18 20.755 -13.384 2.100 187 H4' C 18 H4' C 18 19.196 -13.413 0.235 188 H3' C 18 H3' C 18 20.958 -10.954 0.306 189 H2' C 18 1H2' C 18 20.096 -10.535 -1.932 190 HO2' C 18 2HO' C 18 20.054 -12.793 -2.577 191 H1' C 18 H1' C 18 17.508 -10.988 -1.219 192 H41 C 18 2H4 C 18 18.464 -4.802 -0.334 193 H42 C 18 1H4 C 18 18.970 -5.092 1.313 194 H5 C 18 H5 C 18 19.283 -7.373 2.228 195 H6 C 18 H6 C 18 19.185 -9.713 1.694 196 H5' C 19 1H5' C 19 21.618 -12.920 -3.598 197 H5'' C 19 2H5' C 19 23.367 -12.870 -3.899 198 H4' C 19 H4' C 19 22.169 -11.959 -5.825 199 H3' C 19 H3' C 19 23.663 -9.889 -4.182 200 H2' C 19 1H2' C 19 23.123 -8.357 -5.995 201 HO2' C 19 2HO' C 19 23.408 -9.986 -7.691 202 H1' C 19 H1' C 19 20.511 -9.126 -6.153 203 H41 C 19 2H4 C 19 20.923 -4.198 -2.126 204 H42 C 19 1H4 C 19 21.171 -5.297 -0.790 205 H5 C 19 H5 C 19 21.419 -7.718 -1.082 206 H6 C 19 H6 C 19 21.525 -9.497 -2.714 207 H5' A 20 1H5' A 20 24.803 -8.642 -7.666 208 H5'' A 20 2H5' A 20 26.550 -8.339 -7.749 209 H4' A 20 H4' A 20 25.185 -6.277 -8.121 210 H3' A 20 H3' A 20 27.039 -6.437 -5.750 211 H2' A 20 1H2' A 20 26.399 -4.221 -5.114 212 HO2' A 20 2HO' A 20 25.134 -2.927 -6.520 213 H1' A 20 H1' A 20 23.736 -4.505 -5.575 214 H8 A 20 H8 A 20 24.530 -7.806 -4.066 215 H61 A 20 2H6 A 20 24.755 -4.812 1.387 216 H62 A 20 1H6 A 20 24.634 -6.390 0.631 217 H2 A 20 H2 A 20 24.976 -1.796 -1.879 218 H5' C 21 1H5' C 21 27.671 -2.576 -6.749 219 H5'' C 21 2H5' C 21 29.396 -2.216 -6.695 220 H4' C 21 H4' C 21 27.751 -1.057 -5.061 221 H3' C 21 H3' C 21 30.400 -1.210 -4.901 222 H2' C 21 1H2' C 21 30.403 -3.489 -4.084 223 HO2' C 21 2HO' C 21 31.794 -2.156 -2.754 224 H1' C 21 H1' C 21 28.495 -2.491 -1.953 225 H41 C 21 2H4 C 21 27.415 -8.646 -0.766 226 H42 C 21 1H4 C 21 28.052 -9.121 -2.327 227 H5 C 21 H5 C 21 29.024 -7.470 -3.927 228 H6 C 21 H6 C 21 29.452 -5.190 -4.297 229 H5' A 22 1H5' A 22 31.819 2.887 -3.431 230 H5'' A 22 2H5' A 22 30.869 3.459 -2.044 231 H4' A 22 H4' A 22 30.803 5.179 -3.726 232 H3' A 22 H3' A 22 28.507 4.308 -2.652 233 H2' A 22 1H2' A 22 28.144 2.534 -4.239 234 HO2' A 22 2HO' A 22 26.847 4.831 -5.224 235 H1' A 22 H1' A 22 28.777 4.337 -6.548 236 H8 A 22 H8 A 22 29.966 0.947 -5.028 237 H61 A 22 2H6 A 22 28.555 -1.442 -10.554 238 H62 A 22 1H6 A 22 29.287 -1.782 -8.997 239 H2 A 22 H2 A 22 27.356 2.813 -10.524 240 H5' A 23 1H5' A 23 27.019 6.960 -6.309 241 H5'' A 23 2H5' A 23 25.633 7.937 -5.782 242 H4' A 23 H4' A 23 25.096 6.685 -7.832 243 H3' A 23 H3' A 23 23.640 5.756 -5.350 244 H2' A 23 1H2' A 23 22.508 4.176 -6.725 245 HO2' A 23 2HO' A 23 22.140 5.553 -8.545 246 H1' A 23 H1' A 23 24.659 3.381 -8.175 247 H8 A 23 H8 A 23 24.481 4.083 -4.330 248 H61 A 23 2H6 A 23 23.833 -2.020 -3.890 249 H62 A 23 1H6 A 23 23.673 -0.486 -3.055 250 H2 A 23 H2 A 23 24.801 -1.056 -8.115 251 H5' G 24 1H5' G 24 18.918 5.034 -6.341 252 H5'' G 24 2H5' G 24 20.407 4.396 -5.604 253 H4' G 24 H4' G 24 19.806 3.798 -8.507 254 H3' G 24 H3' G 24 18.617 2.451 -6.071 255 H2' G 24 1H2' G 24 18.639 0.398 -7.387 256 HO2' G 24 2HO' G 24 18.191 1.438 -9.456 257 H1' G 24 H1' G 24 21.279 0.726 -8.067 258 H8 G 24 H8 G 24 20.869 2.385 -4.694 259 H1 G 24 H1 G 24 20.833 -4.029 -4.369 260 H21 G 24 1H2 G 24 20.612 -3.849 -7.846 261 H22 G 24 2H2 G 24 20.692 -4.880 -6.434 262 H5' G 25 1H5' G 25 16.477 0.921 -9.288 263 H5'' G 25 2H5' G 25 14.745 0.862 -8.920 264 H4' G 25 H4' G 25 15.593 -1.344 -9.608 265 H3' G 25 H3' G 25 14.795 -1.160 -6.691 266 H2' G 25 1H2' G 25 15.020 -3.593 -6.718 267 HO2' G 25 2HO' G 25 15.540 -4.653 -8.673 268 H1' G 25 H1' G 25 17.471 -3.492 -7.885 269 H8 G 25 H8 G 25 17.225 -0.378 -5.743 270 H1 G 25 H1 G 25 18.008 -5.771 -2.344 271 H21 G 25 1H2 G 25 17.418 -7.354 -5.398 272 H22 G 25 2H2 G 25 17.749 -7.544 -3.689 273 H5' G 26 1H5' G 26 12.824 -4.482 -8.492 274 H5'' G 26 2H5' G 26 11.128 -4.527 -7.978 275 H4' G 26 H4' G 26 12.181 -6.707 -7.612 276 H3' G 26 H3' G 26 11.564 -5.166 -5.076 277 H2' G 26 1H2' G 26 12.090 -7.259 -3.926 278 HO2' G 26 2HO' G 26 11.191 -8.655 -5.616 279 H1' G 26 H1' G 26 14.424 -7.579 -5.261 280 H8 G 26 H8 G 26 13.957 -3.839 -4.985 281 H1 G 26 H1 G 26 15.544 -6.613 0.582 282 H21 G 26 1H2 G 26 14.806 -9.585 -1.091 283 H22 G 26 2H2 G 26 15.293 -8.832 0.414 284 H5' A 27 1H5' A 27 9.783 -9.098 -4.627 285 H5'' A 27 2H5' A 27 8.106 -8.825 -4.119 286 H4' A 27 H4' A 27 9.133 -10.451 -2.627 287 H3' A 27 H3' A 27 8.693 -7.716 -1.399 288 H2' A 27 1H2' A 27 9.248 -8.783 0.717 289 HO2' A 27 2HO' A 27 9.649 -11.033 0.774 290 H1' A 27 H1' A 27 11.485 -9.963 -0.285 291 H8 A 27 H8 A 27 11.126 -6.694 -2.155 292 H61 A 27 2H6 A 27 13.725 -4.042 2.814 293 H62 A 27 1H6 A 27 13.219 -3.793 1.157 294 H2 A 27 H2 A 27 12.562 -8.180 3.917 295 H5' A 28 1H5' A 28 7.043 -10.505 1.170 296 H5'' A 28 2H5' A 28 5.472 -9.971 1.793 297 H4' A 28 H4' A 28 7.025 -10.506 3.631 298 H3' A 28 H3' A 28 6.359 -7.565 3.326 299 H2' A 28 1H2' A 28 7.431 -7.330 5.510 300 HO2' A 28 2HO' A 28 6.675 -9.419 6.333 301 H1' A 28 H1' A 28 9.631 -8.727 4.733 302 H8 A 28 H8 A 28 8.392 -6.898 1.645 303 H61 A 28 2H6 A 28 11.179 -1.912 4.092 304 H62 A 28 1H6 A 28 10.346 -2.544 2.687 305 H2 A 28 H2 A 28 11.139 -5.114 7.164 306 H5' G 29 1H5' G 29 5.572 -8.340 7.277 307 H5'' G 29 2H5' G 29 4.017 -7.629 7.752 308 H4' G 29 H4' G 29 5.835 -6.837 9.217 309 H3' G 29 H3' G 29 4.691 -4.719 7.370 310 H2' G 29 1H2' G 29 5.957 -3.170 8.751 311 HO2' G 29 2HO' G 29 7.047 -3.923 10.599 312 H1' G 29 H1' G 29 8.214 -4.732 8.712 313 H8 G 29 H8 G 29 6.708 -4.999 5.247 314 H1 G 29 H1 G 29 9.568 0.631 6.393 315 H21 G 29 1H2 G 29 9.686 -0.497 9.692 316 H22 G 29 2H2 G 29 10.056 0.796 8.569 317 H5' G 30 1H5' G 30 4.486 -3.464 11.456 318 H5'' G 30 2H5' G 30 2.947 -2.643 11.781 319 H4' G 30 H4' G 30 4.884 -1.282 12.520 320 H3' G 30 H3' G 30 3.283 -0.185 10.192 321 H2' G 30 1H2' G 30 4.609 1.822 10.444 322 HO2' G 30 2HO' G 30 6.014 2.057 12.217 323 H1' G 30 H1' G 30 6.985 0.470 10.758 324 H8 G 30 H8 G 30 4.970 -1.353 8.098 325 H1 G 30 H1 G 30 7.828 4.028 6.072 326 H21 G 30 1H2 G 30 8.370 4.595 9.470 327 H22 G 30 2H2 G 30 8.578 5.184 7.835 328 H5' C 31 1H5' C 31 3.666 2.768 13.385 329 H5'' C 31 2H5' C 31 2.107 3.582 13.611 330 H4' C 31 H4' C 31 3.921 5.225 13.381 331 H3' C 31 H3' C 31 1.969 5.105 11.070 332 H2' C 31 1H2' C 31 3.076 7.091 10.245 333 HO2' C 31 2HO' C 31 3.313 8.082 12.358 334 H1' C 31 H1' C 31 5.617 6.176 10.816 335 H41 C 31 2H4 C 31 4.866 4.674 4.725 336 H42 C 31 1H4 C 31 3.788 3.369 5.153 337 H5 C 31 H5 C 31 3.050 2.952 7.415 338 H6 C 31 H6 C 31 3.214 3.641 9.722 339 H5' C 32 1H5' C 32 2.081 9.285 12.500 340 H5'' C 32 2H5' C 32 0.415 9.896 12.438 341 H4' C 32 H4' C 32 1.892 11.382 11.173 342 H3' C 32 H3' C 32 0.031 9.716 9.458 343 H2' C 32 1H2' C 32 0.786 11.121 7.619 344 HO2' C 32 2HO' C 32 0.882 13.098 8.864 345 H1' C 32 H1' C 32 3.424 10.944 8.315 346 H41 C 32 2H4 C 32 2.412 6.193 4.213 347 H42 C 32 1H4 C 32 1.483 5.305 5.402 348 H5 C 32 H5 C 32 0.999 6.156 7.623 349 H6 C 32 H6 C 32 1.284 8.041 9.112 350 H5' A 33 1H5' A 33 -0.649 13.954 8.404 351 H5'' A 33 2H5' A 33 -2.397 14.141 8.155 352 H4' A 33 H4' A 33 -1.159 14.980 6.213 353 H3' A 33 H3' A 33 -2.675 12.405 5.700 354 H2' A 33 1H2' A 33 -2.116 12.803 3.352 355 HO2' A 33 2HO' A 33 -2.297 15.169 3.527 356 H1' A 33 H1' A 33 0.504 13.249 3.881 357 H8 A 33 H8 A 33 -0.799 10.730 6.435 358 H61 A 33 2H6 A 33 -0.148 6.504 1.949 359 H62 A 33 1H6 A 33 -0.439 6.741 3.667 360 H2 A 33 H2 A 33 0.483 10.505 0.156 361 H5' G 34 1H5' G 34 -3.608 14.459 2.467 362 H5'' G 34 2H5' G 34 -5.361 14.556 2.220 363 H4' G 34 H4' G 34 -4.156 13.647 0.229 364 H3' G 34 H3' G 34 -6.024 11.751 1.678 365 H2' G 34 1H2' G 34 -5.684 10.293 -0.231 366 HO2' G 34 2HO' G 34 -5.876 12.100 -1.766 367 H1' G 34 H1' G 34 -2.988 11.030 -0.557 368 H8 G 34 H8 G 34 -3.188 9.929 2.983 369 H1 G 34 H1 G 34 -4.023 5.088 -1.164 370 H21 G 34 1H2 G 34 -4.180 7.595 -3.550 371 H22 G 34 2H2 G 34 -4.211 5.876 -3.216 372 H5' G 35 1H5' G 35 -7.321 10.743 -1.744 373 H5'' G 35 2H5' G 35 -9.075 10.991 -1.829 374 H4' G 35 H4' G 35 -8.604 8.680 -2.351 375 H3' G 35 H3' G 35 -9.786 9.053 0.421 376 H2' G 35 1H2' G 35 -9.951 6.674 0.487 377 HO2' G 35 2HO' G 35 -10.931 6.573 -1.659 378 H1' G 35 H1' G 35 -7.682 6.255 -1.192 379 H8 G 35 H8 G 35 -6.491 8.187 1.753 380 H1 G 35 H1 G 35 -7.730 2.068 3.229 381 H21 G 35 1H2 G 35 -9.113 1.939 0.043 382 H22 G 35 2H2 G 35 -8.768 1.072 1.526 383 H5' G 36 1H5' G 36 -13.879 10.327 -2.601 384 H5'' G 36 2H5' G 36 -14.349 8.920 -3.567 385 H4' G 36 H4' G 36 -11.550 10.063 -3.200 386 H3' G 36 H3' G 36 -13.635 10.230 -5.247 387 H2' G 36 1H2' G 36 -12.542 9.221 -7.038 388 HO2' G 36 2HO' G 36 -10.553 10.427 -6.678 389 H1' G 36 H1' G 36 -11.143 7.223 -5.751 390 H8 G 36 H8 G 36 -13.525 6.391 -3.515 391 H1 G 36 H1 G 36 -16.381 6.149 -9.264 392 H21 G 36 1H2 G 36 -13.650 8.050 -10.309 393 H22 G 36 2H2 G 36 -15.146 7.252 -10.762 394 H5' A 37 1H5' A 37 -11.422 11.941 -9.294 395 H5'' A 37 2H5' A 37 -11.506 10.502 -8.280 396 H4' A 37 H4' A 37 -9.081 11.785 -9.546 397 H3' A 37 H3' A 37 -10.282 9.015 -9.241 398 H2' A 37 1H2' A 37 -8.131 8.076 -9.499 399 HO2' A 37 2HO' A 37 -7.640 9.380 -11.382 400 H1' A 37 H1' A 37 -6.732 10.258 -8.333 401 H8 A 37 H8 A 37 -8.530 9.833 -5.423 402 H61 A 37 2H6 A 37 -5.989 4.314 -4.281 403 H62 A 37 1H6 A 37 -6.875 5.660 -3.595 404 H2 A 37 H2 A 37 -5.435 5.177 -8.587 405 H5' A 38 1H5' A 38 -11.987 6.248 -12.091 406 H5'' A 38 2H5' A 38 -11.751 6.808 -10.416 407 H4' A 38 H4' A 38 -9.633 5.224 -11.922 408 H3' A 38 H3' A 38 -11.886 4.262 -10.129 409 H2' A 38 1H2' A 38 -10.380 2.650 -9.260 410 HO2' A 38 2HO' A 38 -9.611 1.946 -11.346 411 H1' A 38 H1' A 38 -8.068 4.251 -9.589 412 H8 A 38 H8 A 38 -10.504 6.124 -7.444 413 H61 A 38 2H6 A 38 -8.561 2.551 -2.749 414 H62 A 38 1H6 A 38 -9.505 3.969 -3.172 415 H2 A 38 H2 A 38 -7.097 0.777 -6.547 416 H5' U 39 1H5' U 39 -10.217 0.798 -12.080 417 H5'' U 39 2H5' U 39 -11.488 -0.401 -12.362 418 H4' U 39 H4' U 39 -9.564 -1.240 -10.947 419 H3' U 39 H3' U 39 -12.318 -1.139 -9.697 420 H2' U 39 1H2' U 39 -11.373 -2.334 -7.864 421 HO2' U 39 2HO' U 39 -10.190 -3.874 -9.105 422 H1' U 39 H1' U 39 -8.891 -1.020 -8.064 423 H3 U 39 H3 U 39 -10.345 -0.356 -3.836 424 H5 U 39 H5 U 39 -12.710 2.220 -6.162 425 H6 U 39 H6 U 39 -11.767 1.206 -8.142 426 H5' C 40 1H5' C 40 -10.482 -5.359 -9.813 427 H5'' C 40 2H5' C 40 -11.848 -6.434 -10.163 428 H4' C 40 H4' C 40 -10.594 -7.348 -8.297 429 H3' C 40 H3' C 40 -13.260 -6.127 -7.524 430 H2' C 40 1H2' C 40 -12.878 -7.104 -5.342 431 HO2' C 40 2HO' C 40 -11.153 -8.514 -4.995 432 H1' C 40 H1' C 40 -10.286 -6.335 -5.185 433 H41 C 40 2H4 C 40 -13.162 -1.589 -2.278 434 H42 C 40 1H4 C 40 -13.733 -0.912 -3.785 435 H5 C 40 H5 C 40 -13.393 -2.031 -5.952 436 H6 C 40 H6 C 40 -12.445 -3.986 -7.025 437 H5' U 41 1H5' U 41 -12.725 -10.258 -6.208 438 H5'' U 41 2H5' U 41 -14.261 -11.141 -6.200 439 H4' U 41 H4' U 41 -13.108 -11.292 -4.017 440 H3' U 41 H3' U 41 -15.690 -9.708 -4.038 441 H2' U 41 1H2' U 41 -15.468 -9.726 -1.606 442 HO2' U 41 2HO' U 41 -14.603 -11.904 -1.491 443 H1' U 41 H1' U 41 -12.853 -9.033 -1.635 444 H3 U 41 H3 U 41 -14.808 -5.251 -0.269 445 H5 U 41 H5 U 41 -15.257 -5.271 -4.450 446 H6 U 41 H6 U 41 -14.558 -7.565 -4.469 447 H5' U 42 1H5' U 42 -15.837 -12.763 -0.998 448 H5'' U 42 2H5' U 42 -17.484 -13.397 -0.826 449 H4' U 42 H4' U 42 -16.611 -12.493 1.314 450 H3' U 42 H3' U 42 -18.910 -10.988 0.043 451 H2' U 42 1H2' U 42 -19.009 -9.708 2.099 452 HO2' U 42 2HO' U 42 -17.101 -11.612 3.082 453 H1' U 42 H1' U 42 -16.273 -9.359 2.236 454 H3 U 42 H3 U 42 -18.072 -5.332 1.174 455 H5 U 42 H5 U 42 -17.726 -7.434 -2.452 456 H6 U 42 H6 U 42 -17.293 -9.424 -1.205 457 H5' C 43 1H5' C 43 -20.124 -11.591 3.973 458 H5'' C 43 2H5' C 43 -21.725 -12.355 3.977 459 H4' C 43 H4' C 43 -21.845 -10.406 5.392 460 H3' C 43 H3' C 43 -23.154 -9.947 2.692 461 H2' C 43 1H2' C 43 -24.031 -7.917 3.709 462 HO2' C 43 2HO' C 43 -23.643 -7.492 5.907 463 H1' C 43 H1' C 43 -21.621 -7.197 4.750 464 H41 C 43 2H4 C 43 -21.867 -4.486 -0.967 465 H42 C 43 1H4 C 43 -21.354 -5.966 -1.741 466 H5 C 43 H5 C 43 -21.047 -8.064 -0.520 467 H6 C 43 H6 C 43 -21.163 -9.104 1.662 468 H5' C 44 1H5' C 44 -25.769 -9.118 5.889 469 H5'' C 44 2H5' C 44 -27.459 -9.510 5.530 470 H4' C 44 H4' C 44 -27.146 -7.142 6.250 471 H3' C 44 H3' C 44 -28.047 -7.546 3.382 472 H2' C 44 1H2' C 44 -28.511 -5.142 3.467 473 HO2' C 44 2HO' C 44 -29.240 -5.183 5.726 474 H1' C 44 H1' C 44 -26.069 -4.585 4.631 475 H41 C 44 2H4 C 44 -25.363 -3.865 -1.589 476 H42 C 44 1H4 C 44 -24.938 -5.549 -1.770 477 H5 C 44 H5 C 44 -25.086 -7.159 0.076 478 H6 C 44 H6 C 44 -25.636 -7.408 2.426 479 H5' C 45 1H5' C 45 -30.771 -4.943 4.688 480 H5'' C 45 2H5' C 45 -32.414 -5.543 4.385 481 H4' C 45 H4' C 45 -32.168 -3.309 3.427 482 H3' C 45 H3' C 45 -32.258 -5.527 1.350 483 HO3' C 45 H3T C 45 -34.468 -4.894 1.322 484 H2' C 45 1H2' C 45 -32.470 -3.761 -0.255 485 HO2' C 45 2HO' C 45 -33.959 -2.474 1.040 486 H1' C 45 H1' C 45 -30.604 -2.119 0.997 487 H41 C 45 2H4 C 45 -27.826 -5.025 -3.922 488 H42 C 45 1H4 C 45 -27.487 -6.437 -2.938 489 H5 C 45 H5 C 45 -28.289 -6.653 -0.622 490 H6 C 45 H6 C 45 -29.547 -5.569 1.136 491 H2 L94 46 H2 L94 46 6.664 -1.137 0.239 492 H3 L94 46 H3 L94 46 5.137 0.697 0.453 493 H5 L94 46 H5 L94 46 4.157 0.384 -3.772 494 H6 L94 46 H6 L94 46 5.702 -1.447 -3.992 495 H111 L94 46 1H11 L94 46 8.208 -3.835 -3.270 496 H411 L94 46 4H11 L94 46 2.912 1.863 -3.451 497 H11A L94 46 1H12 L94 46 7.040 -2.821 -4.048 498 H41A L94 46 4H12 L94 46 2.398 3.152 -2.420 499 H121 L94 46 1H21 L94 46 7.500 -3.009 -0.068 500 H424 L94 46 4H21 L94 46 4.266 2.447 0.328 501 H131 L94 46 1H31 L94 46 9.659 -3.693 -1.985 502 H434 L94 46 4H31 L94 46 1.959 3.828 -0.758 503 H13A L94 46 1H32 L94 46 9.495 -4.228 -0.294 504 H43A L94 46 4H32 L94 46 2.552 3.836 0.911 505 H141 L94 46 1H41 L94 46 9.925 -1.917 0.491 506 H444 L94 46 4H41 L94 46 1.588 1.506 1.226 507 H14A L94 46 1H42 L94 46 10.061 -1.351 -1.177 508 H44A L94 46 4H42 L94 46 1.051 1.543 -0.451 509 H151 L94 46 1H51 L94 46 12.052 -2.800 -1.548 510 H454 L94 46 4H51 L94 46 -0.925 2.118 0.666 511 H15A L94 46 1H52 L94 46 11.917 -3.433 0.117 512 H45A L94 46 4H52 L94 46 -0.280 3.729 0.281 513 H161 L94 46 1H61 L94 46 12.271 -0.564 -0.568 514 H464 L94 46 4H61 L94 46 -0.057 2.259 2.860 515 H171 L94 46 1H72 L94 46 14.269 -2.541 0.385 516 H474 L94 46 4H71 L94 46 -2.244 3.122 2.391 517 H17A L94 46 1H73 L94 46 14.556 -0.799 0.073 518 H47A L94 46 4H72 L94 46 -1.515 4.711 2.019 519 H17B L94 46 1H71 L94 46 14.167 -1.899 -1.288 520 H47B L94 46 4H73 L94 46 -1.448 4.062 3.692 521 H181 L94 46 1H81 L94 46 11.210 -0.899 1.559 522 H484 L94 46 4H83 L94 46 0.851 4.336 3.753 523 H18A L94 46 1H82 L94 46 12.898 -0.341 1.772 524 H48A L94 46 4H81 L94 46 1.939 3.512 2.595 525 H18B L94 46 1H83 L94 46 12.495 -2.074 1.993 526 H48B L94 46 4H82 L94 46 0.975 4.927 2.061 Start of MODEL 5 1 H5' G 1 1H5' G 1 -26.655 1.635 -6.867 2 H5'' G 1 2H5' G 1 -26.594 1.649 -8.647 3 H4' G 1 H4' G 1 -27.913 3.717 -8.612 4 H3' G 1 H3' G 1 -27.336 4.145 -6.133 5 H2' G 1 1H2' G 1 -27.795 2.078 -5.126 6 HO2' G 1 2HO' G 1 -29.332 3.644 -4.176 7 H1' G 1 H1' G 1 -30.407 1.563 -6.419 8 H8 G 1 H8 G 1 -27.271 -0.131 -7.750 9 H1 G 1 H1 G 1 -29.937 -3.157 -2.771 10 H21 G 1 1H2 G 1 -31.973 -0.295 -2.589 11 H22 G 1 2H2 G 1 -31.483 -1.805 -1.833 12 HO5' G 1 H5T G 1 -23.084 1.854 -6.073 13 H5' G 2 1H5' G 2 -30.773 4.874 -3.458 14 H5'' G 2 2H5' G 2 -29.983 6.276 -2.723 15 H4' G 2 H4' G 2 -29.858 4.810 -0.991 16 H3' G 2 H3' G 2 -27.410 3.836 -2.518 17 H2' G 2 1H2' G 2 -27.005 2.748 -0.351 18 HO2' G 2 2HO' G 2 -28.380 3.185 1.406 19 H1' G 2 H1' G 2 -29.700 2.017 -0.193 20 H8 G 2 H8 G 2 -28.368 1.258 -3.618 21 H1 G 2 H1 G 2 -26.204 -2.740 0.889 22 H21 G 2 1H2 G 2 -27.933 -0.647 3.079 23 H22 G 2 2H2 G 2 -26.955 -2.087 2.892 24 H5' G 3 1H5' G 3 -26.649 5.147 1.472 25 H5'' G 3 2H5' G 3 -24.987 5.673 1.762 26 H4' G 3 H4' G 3 -25.885 3.863 3.313 27 H3' G 3 H3' G 3 -23.379 3.250 1.724 28 H2' G 3 1H2' G 3 -23.207 1.368 3.285 29 HO2' G 3 2HO' G 3 -24.023 2.530 5.146 30 H1' G 3 H1' G 3 -25.848 0.684 2.958 31 H8 G 3 H8 G 3 -24.707 1.705 -0.472 32 H1 G 3 H1 G 3 -22.415 -3.959 1.537 33 H21 G 3 1H2 G 3 -23.481 -2.869 4.663 34 H22 G 3 2H2 G 3 -22.673 -4.122 3.744 35 H5' A 4 1H5' A 4 -22.699 2.902 6.047 36 H5'' A 4 2H5' A 4 -21.099 3.571 6.417 37 H4' A 4 H4' A 4 -21.393 1.335 7.417 38 H3' A 4 H3' A 4 -19.368 1.539 5.176 39 H2' A 4 1H2' A 4 -18.711 -0.715 5.821 40 HO2' A 4 2HO' A 4 -19.669 -1.700 7.639 41 H1' A 4 H1' A 4 -21.279 -1.626 5.905 42 H8 A 4 H8 A 4 -21.100 0.977 3.140 43 H61 A 4 2H6 A 4 -18.751 -3.555 -0.392 44 H62 A 4 1H6 A 4 -19.394 -1.923 -0.394 45 H2 A 4 H2 A 4 -18.829 -4.981 3.811 46 H5' A 5 1H5' A 5 -17.595 -0.269 8.612 47 H5'' A 5 2H5' A 5 -15.953 0.348 8.872 48 H4' A 5 H4' A 5 -15.961 -2.109 8.812 49 H3' A 5 H3' A 5 -14.624 -0.754 6.455 50 H2' A 5 1H2' A 5 -13.841 -2.983 5.861 51 HO2' A 5 2HO' A 5 -13.508 -3.708 8.071 52 H1' A 5 H1' A 5 -16.292 -4.123 6.160 53 H8 A 5 H8 A 5 -16.774 -0.541 4.930 54 H61 A 5 2H6 A 5 -15.704 -2.795 -0.748 55 H62 A 5 1H6 A 5 -16.221 -1.395 0.166 56 H2 A 5 H2 A 5 -14.782 -5.993 2.207 57 H5' G 6 1H5' G 6 -11.843 -3.555 8.200 58 H5'' G 6 2H5' G 6 -10.205 -2.878 8.150 59 H4' G 6 H4' G 6 -10.318 -5.089 7.038 60 H3' G 6 H3' G 6 -9.771 -2.724 5.225 61 H2' G 6 1H2' G 6 -9.303 -4.402 3.522 62 HO2' G 6 2HO' G 6 -9.344 -6.618 4.072 63 H1' G 6 H1' G 6 -11.576 -5.807 4.033 64 H8 G 6 H8 G 6 -12.298 -2.114 4.656 65 H1 G 6 H1 G 6 -12.149 -3.741 -1.558 66 H21 G 6 1H2 G 6 -10.890 -6.770 -0.357 67 H22 G 6 2H2 G 6 -11.332 -5.817 -1.758 68 H5' A 7 1H5' A 7 -6.856 -5.647 4.505 69 H5'' A 7 2H5' A 7 -5.248 -4.939 4.287 70 H4' A 7 H4' A 7 -5.899 -6.358 2.360 71 H3' A 7 H3' A 7 -5.607 -3.390 1.835 72 H2' A 7 1H2' A 7 -5.918 -3.935 -0.510 73 HO2' A 7 2HO' A 7 -4.701 -5.958 -0.385 74 H1' A 7 H1' A 7 -8.043 -5.577 -0.094 75 H8 A 7 H8 A 7 -8.392 -2.840 2.487 76 H61 A 7 2H6 A 7 -10.746 0.636 -2.088 77 H62 A 7 1H6 A 7 -10.488 0.535 -0.360 78 H2 A 7 H2 A 7 -8.936 -2.987 -3.899 79 H5' U 8 1H5' U 8 -3.404 -5.502 -1.062 80 H5'' U 8 2H5' U 8 -1.841 -4.733 -1.399 81 H4' U 8 H4' U 8 -3.242 -5.054 -3.457 82 H3' U 8 H3' U 8 -2.549 -2.245 -2.571 83 H2' U 8 1H2' U 8 -3.665 -1.437 -4.529 84 HO2' U 8 2HO' U 8 -2.687 -3.170 -5.878 85 H1' U 8 H1' U 8 -5.730 -3.328 -4.509 86 H3 U 8 H3 U 8 -7.431 0.887 -4.082 87 H5 U 8 H5 U 8 -6.147 -0.165 -0.223 88 H6 U 8 H6 U 8 -5.109 -2.120 -1.141 89 H5' C 9 1H5' C 9 -2.120 -1.419 -6.244 90 H5'' C 9 2H5' C 9 -0.455 -0.916 -6.605 91 H4' C 9 H4' C 9 -2.050 0.843 -7.271 92 H3' C 9 H3' C 9 -0.129 1.332 -5.010 93 H2' C 9 1H2' C 9 -1.035 3.456 -4.611 94 HO2' C 9 2HO' C 9 -0.869 4.137 -6.818 95 H1' C 9 H1' C 9 -3.656 2.956 -5.517 96 H41 C 9 2H4 C 9 -4.492 3.544 0.732 97 H42 C 9 1H4 C 9 -3.796 1.956 0.980 98 H5 C 9 H5 C 9 -2.617 0.726 -0.763 99 H6 C 9 H6 C 9 -2.142 0.634 -3.112 100 H5' U 10 1H5' U 10 0.004 4.682 -8.195 101 H5'' U 10 2H5' U 10 1.745 4.945 -8.419 102 H4' U 10 H4' U 10 0.713 7.106 -8.174 103 H3' U 10 H3' U 10 2.163 6.224 -5.661 104 H2' U 10 1H2' U 10 1.872 8.522 -4.943 105 HO2' U 10 2HO' U 10 0.966 10.055 -6.386 106 H1' U 10 H1' U 10 -0.765 8.604 -5.743 107 H3 U 10 H3 U 10 -0.342 8.554 -1.153 108 H5 U 10 H5 U 10 -0.446 4.529 -2.346 109 H6 U 10 H6 U 10 -0.251 5.252 -4.635 110 H5' G 11 1H5' G 11 3.668 9.841 -6.317 111 H5'' G 11 2H5' G 11 5.444 9.822 -6.317 112 H4' G 11 H4' G 11 4.635 11.486 -4.713 113 H3' G 11 H3' G 11 5.806 9.004 -3.421 114 H2' G 11 1H2' G 11 5.733 10.324 -1.373 115 HO2' G 11 2HO' G 11 6.336 12.347 -2.400 116 H1' G 11 H1' G 11 3.192 11.246 -1.877 117 H8 G 11 H8 G 11 3.179 7.634 -2.993 118 H1 G 11 H1 G 11 3.227 8.329 3.395 119 H21 G 11 1H2 G 11 3.959 11.657 2.683 120 H22 G 11 2H2 G 11 3.696 10.446 3.917 121 H5' G 12 1H5' G 12 8.034 12.466 -1.990 122 H5'' G 12 2H5' G 12 9.751 12.011 -1.939 123 H4' G 12 H4' G 12 9.052 12.907 0.239 124 H3' G 12 H3' G 12 9.572 9.923 0.200 125 H2' G 12 1H2' G 12 9.407 10.055 2.608 126 HO2' G 12 2HO' G 12 9.170 12.087 3.629 127 H1' G 12 H1' G 12 7.112 11.536 2.551 128 H8 G 12 H8 G 12 7.156 9.079 -0.362 129 H1 G 12 H1 G 12 5.768 6.451 5.325 130 H21 G 12 1H2 G 12 6.732 9.549 6.592 131 H22 G 12 2H2 G 12 6.163 7.933 6.950 132 H5' C 13 1H5' C 13 11.818 11.567 3.347 133 H5'' C 13 2H5' C 13 13.441 10.859 3.408 134 H4' C 13 H4' C 13 12.281 10.671 5.582 135 H3' C 13 H3' C 13 12.735 8.041 4.139 136 H2' C 13 1H2' C 13 12.038 7.025 6.237 137 HO2' C 13 2HO' C 13 13.111 8.607 7.612 138 H1' C 13 H1' C 13 9.911 8.734 6.561 139 H41 C 13 2H4 C 13 7.740 3.465 3.816 140 H42 C 13 1H4 C 13 8.258 4.038 2.247 141 H5 C 13 H5 C 13 9.503 6.130 1.945 142 H6 C 13 H6 C 13 10.505 8.005 3.065 143 H5' C 14 1H5' C 14 14.404 7.859 8.153 144 H5'' C 14 2H5' C 14 15.870 6.860 8.151 145 H4' C 14 H4' C 14 14.151 6.084 9.795 146 H3' C 14 H3' C 14 14.848 4.209 7.518 147 H2' C 14 1H2' C 14 13.524 2.570 8.719 148 HO2' C 14 2HO' C 14 14.257 3.208 10.850 149 H1' C 14 H1' C 14 11.508 4.319 9.327 150 H41 C 14 2H4 C 14 9.570 1.264 4.149 151 H42 C 14 1H4 C 14 10.636 2.202 3.128 152 H5 C 14 H5 C 14 12.225 3.842 4.012 153 H6 C 14 H6 C 14 13.069 4.868 6.045 154 H5' U 15 1H5' U 15 15.287 2.206 11.469 155 H5'' U 15 2H5' U 15 16.763 1.227 11.399 156 H4' U 15 H4' U 15 14.853 -0.110 12.198 157 H3' U 15 H3' U 15 15.972 -0.831 9.480 158 H2' U 15 1H2' U 15 14.512 -2.760 9.553 159 HO2' U 15 2HO' U 15 14.861 -3.179 11.839 160 H1' U 15 H1' U 15 12.347 -1.381 10.512 161 H3 U 15 H3 U 15 11.255 -2.400 6.241 162 H5 U 15 H5 U 15 13.663 1.022 5.995 163 H6 U 15 H6 U 15 14.235 0.743 8.305 164 H5' U 16 1H5' U 16 15.885 -4.488 11.934 165 H5'' U 16 2H5' U 16 17.421 -5.331 11.653 166 H4' U 16 H4' U 16 15.579 -6.869 11.202 167 H3' U 16 H3' U 16 17.030 -5.879 8.736 168 H2' U 16 1H2' U 16 15.735 -7.494 7.499 169 HO2' U 16 2HO' U 16 14.445 -9.023 8.596 170 H1' U 16 H1' U 16 13.370 -6.904 8.776 171 H3 U 16 H3 U 16 12.793 -5.191 4.644 172 H5 U 16 H5 U 16 15.405 -2.517 6.561 173 H6 U 16 H6 U 16 15.567 -4.041 8.387 174 H5' C 17 1H5' C 17 16.963 -10.160 8.637 175 H5'' C 17 2H5' C 17 18.548 -10.774 8.130 176 H4' C 17 H4' C 17 16.790 -11.716 6.707 177 H3' C 17 H3' C 17 18.564 -9.676 5.329 178 H2' C 17 1H2' C 17 17.456 -10.398 3.286 179 HO2' C 17 2HO' C 17 17.329 -12.669 3.928 180 H1' C 17 H1' C 17 14.965 -10.287 4.380 181 H41 C 17 2H4 C 17 15.719 -4.612 1.810 182 H42 C 17 1H4 C 17 16.519 -4.030 3.252 183 H5 C 17 H5 C 17 17.127 -5.512 5.117 184 H6 C 17 H6 C 17 17.045 -7.776 5.926 185 H5' C 18 1H5' C 18 18.519 -13.239 2.874 186 H5'' C 18 2H5' C 18 20.181 -13.551 2.340 187 H4' C 18 H4' C 18 18.705 -13.509 0.409 188 H3' C 18 H3' C 18 20.505 -11.083 0.601 189 H2' C 18 1H2' C 18 19.745 -10.610 -1.662 190 HO2' C 18 2HO' C 18 19.684 -12.838 -2.373 191 H1' C 18 H1' C 18 17.123 -11.020 -1.059 192 H41 C 18 2H4 C 18 18.190 -4.873 -0.025 193 H42 C 18 1H4 C 18 18.650 -5.209 1.631 194 H5 C 18 H5 C 18 18.888 -7.511 2.509 195 H6 C 18 H6 C 18 18.754 -9.840 1.927 196 H5' C 19 1H5' C 19 21.290 -12.961 -3.321 197 H5'' C 19 2H5' C 19 23.047 -12.922 -3.556 198 H4' C 19 H4' C 19 21.935 -11.946 -5.498 199 H3' C 19 H3' C 19 23.373 -9.922 -3.752 200 H2' C 19 1H2' C 19 22.928 -8.364 -5.569 201 HO2' C 19 2HO' C 19 23.248 -9.983 -7.276 202 H1' C 19 H1' C 19 20.313 -9.089 -5.822 203 H41 C 19 2H4 C 19 20.708 -4.259 -1.667 204 H42 C 19 1H4 C 19 20.869 -5.400 -0.351 205 H5 C 19 H5 C 19 21.076 -7.814 -0.693 206 H6 C 19 H6 C 19 21.212 -9.554 -2.362 207 H5' A 20 1H5' A 20 24.706 -8.775 -7.339 208 H5'' A 20 2H5' A 20 26.450 -8.442 -7.317 209 H4' A 20 H4' A 20 25.103 -6.430 -7.916 210 H3' A 20 H3' A 20 26.730 -6.428 -5.383 211 H2' A 20 1H2' A 20 25.981 -4.190 -4.921 212 HO2' A 20 2HO' A 20 26.133 -3.509 -7.189 213 H1' A 20 H1' A 20 23.390 -4.565 -5.563 214 H8 A 20 H8 A 20 24.136 -7.798 -3.874 215 H61 A 20 2H6 A 20 24.107 -4.622 1.466 216 H62 A 20 1H6 A 20 24.066 -6.225 0.756 217 H2 A 20 H2 A 20 24.297 -1.709 -1.891 218 H5' C 21 1H5' C 21 27.513 -2.641 -6.308 219 H5'' C 21 2H5' C 21 29.235 -2.323 -6.148 220 H4' C 21 H4' C 21 27.633 -1.087 -4.607 221 H3' C 21 H3' C 21 30.230 -1.646 -4.174 222 H2' C 21 1H2' C 21 29.775 -3.858 -3.299 223 HO2' C 21 2HO' C 21 31.191 -2.701 -1.842 224 H1' C 21 H1' C 21 27.775 -2.472 -1.493 225 H41 C 21 2H4 C 21 26.844 -8.575 0.172 226 H42 C 21 1H4 C 21 26.985 -9.094 -1.496 227 H5 C 21 H5 C 21 27.480 -7.516 -3.350 228 H6 C 21 H6 C 21 27.866 -5.253 -3.884 229 H5' A 22 1H5' A 22 32.112 2.105 -2.901 230 H5'' A 22 2H5' A 22 31.402 2.885 -1.478 231 H4' A 22 H4' A 22 31.626 4.598 -3.104 232 H3' A 22 H3' A 22 29.189 4.240 -2.078 233 H2' A 22 1H2' A 22 28.448 2.599 -3.703 234 HO2' A 22 2HO' A 22 27.802 5.154 -4.752 235 H1' A 22 H1' A 22 29.482 4.195 -5.999 236 H8 A 22 H8 A 22 29.954 0.655 -4.385 237 H61 A 22 2H6 A 22 28.447 -1.497 -9.974 238 H62 A 22 1H6 A 22 29.034 -1.939 -8.384 239 H2 A 22 H2 A 22 28.013 2.903 -10.018 240 H5' A 23 1H5' A 23 25.707 7.768 -4.028 241 H5'' A 23 2H5' A 23 25.804 6.034 -3.690 242 H4' A 23 H4' A 23 25.627 7.374 -6.419 243 H3' A 23 H3' A 23 23.820 5.708 -4.705 244 H2' A 23 1H2' A 23 23.114 4.401 -6.553 245 HO2' A 23 2HO' A 23 22.921 6.150 -8.076 246 H1' A 23 H1' A 23 25.488 3.943 -7.654 247 H8 A 23 H8 A 23 25.144 4.274 -3.781 248 H61 A 23 2H6 A 23 25.171 -1.872 -3.900 249 H62 A 23 1H6 A 23 25.101 -0.436 -2.894 250 H2 A 23 H2 A 23 25.359 -0.459 -8.090 251 H5' G 24 1H5' G 24 19.411 5.039 -5.733 252 H5'' G 24 2H5' G 24 20.895 4.445 -4.957 253 H4' G 24 H4' G 24 20.434 3.852 -7.883 254 H3' G 24 H3' G 24 19.127 2.476 -5.527 255 H2' G 24 1H2' G 24 19.233 0.448 -6.869 256 HO2' G 24 2HO' G 24 18.865 1.509 -8.933 257 H1' G 24 H1' G 24 21.903 0.819 -7.447 258 H8 G 24 H8 G 24 21.628 2.339 -4.051 259 H1 G 24 H1 G 24 20.876 -4.037 -3.893 260 H21 G 24 1H2 G 24 20.715 -3.749 -7.367 261 H22 G 24 2H2 G 24 20.666 -4.818 -5.979 262 H5' G 25 1H5' G 25 17.137 1.037 -8.959 263 H5'' G 25 2H5' G 25 15.385 1.044 -8.694 264 H4' G 25 H4' G 25 16.179 -1.175 -9.424 265 H3' G 25 H3' G 25 15.179 -1.036 -6.567 266 H2' G 25 1H2' G 25 15.323 -3.476 -6.628 267 HO2' G 25 2HO' G 25 14.679 -3.684 -8.886 268 H1' G 25 H1' G 25 17.845 -3.460 -7.621 269 H8 G 25 H8 G 25 17.676 -0.363 -5.473 270 H1 G 25 H1 G 25 17.802 -5.807 -2.065 271 H21 G 25 1H2 G 25 17.263 -7.327 -5.158 272 H22 G 25 2H2 G 25 17.472 -7.548 -3.435 273 H5' G 26 1H5' G 26 13.076 -4.255 -8.549 274 H5'' G 26 2H5' G 26 11.365 -4.165 -8.088 275 H4' G 26 H4' G 26 12.261 -6.422 -7.696 276 H3' G 26 H3' G 26 11.619 -4.855 -5.185 277 H2' G 26 1H2' G 26 11.948 -6.980 -4.030 278 HO2' G 26 2HO' G 26 12.413 -8.862 -5.247 279 H1' G 26 H1' G 26 14.326 -7.437 -5.247 280 H8 G 26 H8 G 26 14.080 -3.681 -4.962 281 H1 G 26 H1 G 26 15.187 -6.583 0.654 282 H21 G 26 1H2 G 26 14.360 -9.493 -1.078 283 H22 G 26 2H2 G 26 14.809 -8.777 0.453 284 H5' A 27 1H5' A 27 9.676 -8.675 -4.923 285 H5'' A 27 2H5' A 27 7.973 -8.379 -4.512 286 H4' A 27 H4' A 27 8.854 -10.086 -3.021 287 H3' A 27 H3' A 27 8.428 -7.386 -1.714 288 H2' A 27 1H2' A 27 8.846 -8.531 0.385 289 HO2' A 27 2HO' A 27 9.173 -10.795 0.394 290 H1' A 27 H1' A 27 11.091 -9.763 -0.535 291 H8 A 27 H8 A 27 10.935 -6.432 -2.316 292 H61 A 27 2H6 A 27 13.360 -4.007 2.853 293 H62 A 27 1H6 A 27 12.951 -3.690 1.182 294 H2 A 27 H2 A 27 12.017 -8.132 3.772 295 H5' A 28 1H5' A 28 6.575 -10.193 0.684 296 H5'' A 28 2H5' A 28 4.987 -9.632 1.238 297 H4' A 28 H4' A 28 6.413 -10.249 3.147 298 H3' A 28 H3' A 28 5.883 -7.279 2.862 299 H2' A 28 1H2' A 28 6.839 -7.120 5.105 300 HO2' A 28 2HO' A 28 7.466 -9.032 6.195 301 H1' A 28 H1' A 28 9.023 -8.596 4.426 302 H8 A 28 H8 A 28 8.005 -6.647 1.325 303 H61 A 28 2H6 A 28 10.838 -1.836 4.050 304 H62 A 28 1H6 A 28 10.053 -2.397 2.585 305 H2 A 28 H2 A 28 10.556 -5.127 7.011 306 H5' G 29 1H5' G 29 4.897 -8.169 6.719 307 H5'' G 29 2H5' G 29 3.348 -7.439 7.180 308 H4' G 29 H4' G 29 5.126 -6.789 8.753 309 H3' G 29 H3' G 29 4.131 -4.542 6.979 310 H2' G 29 1H2' G 29 5.403 -3.099 8.470 311 HO2' G 29 2HO' G 29 4.912 -4.296 10.427 312 H1' G 29 H1' G 29 7.603 -4.731 8.441 313 H8 G 29 H8 G 29 6.235 -4.849 4.918 314 H1 G 29 H1 G 29 9.148 0.689 6.343 315 H21 G 29 1H2 G 29 9.114 -0.532 9.609 316 H22 G 29 2H2 G 29 9.551 0.784 8.539 317 H5' G 30 1H5' G 30 3.688 -3.371 11.146 318 H5'' G 30 2H5' G 30 2.156 -2.494 11.335 319 H4' G 30 H4' G 30 4.096 -1.218 12.227 320 H3' G 30 H3' G 30 2.672 -0.051 9.827 321 H2' G 30 1H2' G 30 4.051 1.914 10.173 322 HO2' G 30 2HO' G 30 5.366 2.081 12.019 323 H1' G 30 H1' G 30 6.361 0.482 10.580 324 H8 G 30 H8 G 30 4.419 -1.273 7.824 325 H1 G 30 H1 G 30 7.487 4.053 5.963 326 H21 G 30 1H2 G 30 7.917 4.568 9.384 327 H22 G 30 2H2 G 30 8.201 5.169 7.765 328 H5' C 31 1H5' C 31 2.974 2.859 13.048 329 H5'' C 31 2H5' C 31 1.439 3.730 13.199 330 H4' C 31 H4' C 31 3.330 5.303 13.071 331 H3' C 31 H3' C 31 1.489 5.278 10.667 332 H2' C 31 1H2' C 31 2.714 7.227 9.917 333 HO2' C 31 2HO' C 31 2.900 8.187 12.047 334 H1' C 31 H1' C 31 5.180 6.192 10.587 335 H41 C 31 2H4 C 31 4.586 4.791 4.453 336 H42 C 31 1H4 C 31 3.455 3.516 4.833 337 H5 C 31 H5 C 31 2.624 3.103 7.062 338 H6 C 31 H6 C 31 2.733 3.760 9.380 339 H5' C 32 1H5' C 32 1.709 9.438 12.128 340 H5'' C 32 2H5' C 32 0.082 10.130 11.971 341 H4' C 32 H4' C 32 1.712 11.533 10.798 342 H3' C 32 H3' C 32 -0.148 9.990 8.965 343 H2' C 32 1H2' C 32 0.782 11.380 7.192 344 HO2' C 32 2HO' C 32 0.934 13.333 8.465 345 H1' C 32 H1' C 32 3.363 11.024 8.019 346 H41 C 32 2H4 C 32 2.242 6.379 3.820 347 H42 C 32 1H4 C 32 1.211 5.538 4.960 348 H5 C 32 H5 C 32 0.694 6.396 7.173 349 H6 C 32 H6 C 32 1.024 8.246 8.689 350 H5' A 33 1H5' A 33 -0.548 14.268 7.951 351 H5'' A 33 2H5' A 33 -2.251 14.553 7.551 352 H4' A 33 H4' A 33 -0.774 15.313 5.736 353 H3' A 33 H3' A 33 -2.462 12.886 5.061 354 H2' A 33 1H2' A 33 -1.679 13.265 2.776 355 HO2' A 33 2HO' A 33 -1.661 15.642 2.995 356 H1' A 33 H1' A 33 0.909 13.453 3.515 357 H8 A 33 H8 A 33 -0.731 11.031 5.943 358 H61 A 33 2H6 A 33 -0.336 6.850 1.384 359 H62 A 33 1H6 A 33 -0.652 7.080 3.100 360 H2 A 33 H2 A 33 0.692 10.813 -0.303 361 H5' G 34 1H5' G 34 -2.882 14.994 1.782 362 H5'' G 34 2H5' G 34 -4.585 15.272 1.377 363 H4' G 34 H4' G 34 -3.290 14.233 -0.494 364 H3' G 34 H3' G 34 -5.511 12.585 0.750 365 H2' G 34 1H2' G 34 -5.171 11.087 -1.120 366 HO2' G 34 2HO' G 34 -5.015 12.876 -2.666 367 H1' G 34 H1' G 34 -2.386 11.491 -1.202 368 H8 G 34 H8 G 34 -3.019 10.445 2.291 369 H1 G 34 H1 G 34 -4.090 5.703 -1.922 370 H21 G 34 1H2 G 34 -3.753 8.199 -4.304 371 H22 G 34 2H2 G 34 -4.016 6.496 -3.981 372 H5' G 35 1H5' G 35 -6.668 11.621 -2.650 373 H5'' G 35 2H5' G 35 -8.326 12.205 -2.912 374 H4' G 35 H4' G 35 -8.340 9.844 -3.298 375 H3' G 35 H3' G 35 -9.496 10.514 -0.569 376 H2' G 35 1H2' G 35 -10.354 8.260 -0.667 377 HO2' G 35 2HO' G 35 -10.876 8.445 -3.002 378 H1' G 35 H1' G 35 -7.981 7.261 -1.787 379 H8 G 35 H8 G 35 -6.318 9.047 0.770 380 H1 G 35 H1 G 35 -10.278 4.792 3.486 381 H21 G 35 1H2 G 35 -11.715 4.610 0.320 382 H22 G 35 2H2 G 35 -11.729 4.036 1.973 383 H5' G 36 1H5' G 36 -13.471 11.940 -3.958 384 H5'' G 36 2H5' G 36 -14.100 10.378 -4.494 385 H4' G 36 H4' G 36 -11.204 11.322 -4.525 386 H3' G 36 H3' G 36 -13.365 11.148 -6.480 387 H2' G 36 1H2' G 36 -12.517 9.540 -7.947 388 HO2' G 36 2HO' G 36 -10.370 10.494 -7.982 389 H1' G 36 H1' G 36 -11.354 7.788 -6.171 390 H8 G 36 H8 G 36 -13.439 7.927 -3.608 391 H1 G 36 H1 G 36 -17.302 7.032 -8.656 392 H21 G 36 1H2 G 36 -14.567 8.120 -10.513 393 H22 G 36 2H2 G 36 -16.226 7.558 -10.536 394 H5' A 37 1H5' A 37 -11.089 11.278 -10.908 395 H5'' A 37 2H5' A 37 -11.262 10.140 -9.569 396 H4' A 37 H4' A 37 -8.830 10.786 -11.213 397 H3' A 37 H3' A 37 -9.920 8.310 -9.825 398 H2' A 37 1H2' A 37 -7.730 7.390 -10.047 399 HO2' A 37 2HO' A 37 -7.416 8.184 -12.228 400 H1' A 37 H1' A 37 -6.419 9.788 -9.472 401 H8 A 37 H8 A 37 -8.405 10.138 -6.625 402 H61 A 37 2H6 A 37 -6.193 4.913 -4.133 403 H62 A 37 1H6 A 37 -7.128 6.368 -3.826 404 H2 A 37 H2 A 37 -5.101 4.939 -8.427 405 H5' A 38 1H5' A 38 -13.038 6.286 -11.953 406 H5'' A 38 2H5' A 38 -13.032 6.450 -10.195 407 H4' A 38 H4' A 38 -10.644 5.634 -11.920 408 H3' A 38 H3' A 38 -12.585 4.238 -10.067 409 H2' A 38 1H2' A 38 -10.883 2.784 -9.383 410 HO2' A 38 2HO' A 38 -9.012 2.451 -10.654 411 H1' A 38 H1' A 38 -8.764 4.631 -9.800 412 H8 A 38 H8 A 38 -11.026 6.241 -7.429 413 H61 A 38 2H6 A 38 -8.739 2.564 -2.981 414 H62 A 38 1H6 A 38 -9.681 4.007 -3.299 415 H2 A 38 H2 A 38 -7.581 0.866 -6.912 416 H5' U 39 1H5' U 39 -10.792 1.071 -12.120 417 H5'' U 39 2H5' U 39 -12.000 -0.155 -12.533 418 H4' U 39 H4' U 39 -10.144 -1.088 -11.164 419 H3' U 39 H3' U 39 -12.862 -0.985 -9.833 420 H2' U 39 1H2' U 39 -11.890 -2.261 -8.069 421 HO2' U 39 2HO' U 39 -10.809 -3.800 -9.378 422 H1' U 39 H1' U 39 -9.358 -1.036 -8.332 423 H3 U 39 H3 U 39 -10.519 -0.489 -4.002 424 H5 U 39 H5 U 39 -12.969 2.216 -6.079 425 H6 U 39 H6 U 39 -12.162 1.263 -8.152 426 H5' C 40 1H5' C 40 -11.111 -5.235 -10.224 427 H5'' C 40 2H5' C 40 -12.512 -6.275 -10.526 428 H4' C 40 H4' C 40 -11.156 -7.271 -8.773 429 H3' C 40 H3' C 40 -13.745 -6.053 -7.786 430 H2' C 40 1H2' C 40 -13.235 -7.128 -5.678 431 HO2' C 40 2HO' C 40 -11.517 -8.574 -5.507 432 H1' C 40 H1' C 40 -10.621 -6.400 -5.672 433 H41 C 40 2H4 C 40 -13.222 -1.785 -2.328 434 H42 C 40 1H4 C 40 -13.900 -1.032 -3.753 435 H5 C 40 H5 C 40 -13.738 -2.042 -5.993 436 H6 C 40 H6 C 40 -12.894 -3.946 -7.227 437 H5' U 41 1H5' U 41 -13.161 -10.250 -6.700 438 H5'' U 41 2H5' U 41 -14.699 -11.127 -6.619 439 H4' U 41 H4' U 41 -13.397 -11.396 -4.541 440 H3' U 41 H3' U 41 -15.953 -9.792 -4.294 441 H2' U 41 1H2' U 41 -15.558 -9.930 -1.886 442 HO2' U 41 2HO' U 41 -14.710 -12.122 -1.938 443 H1' U 41 H1' U 41 -12.941 -9.255 -2.072 444 H3 U 41 H3 U 41 -14.749 -5.530 -0.394 445 H5 U 41 H5 U 41 -15.511 -5.355 -4.522 446 H6 U 41 H6 U 41 -14.829 -7.644 -4.700 447 H5' U 42 1H5' U 42 -15.898 -13.029 -1.415 448 H5'' U 42 2H5' U 42 -17.539 -13.646 -1.142 449 H4' U 42 H4' U 42 -16.462 -12.878 0.966 450 H3' U 42 H3' U 42 -18.851 -11.284 0.002 451 H2' U 42 1H2' U 42 -18.750 -10.170 2.161 452 HO2' U 42 2HO' U 42 -18.141 -12.146 3.330 453 H1' U 42 H1' U 42 -16.015 -9.815 2.039 454 H3 U 42 H3 U 42 -17.894 -5.729 1.414 455 H5 U 42 H5 U 42 -17.855 -7.583 -2.360 456 H6 U 42 H6 U 42 -17.333 -9.652 -1.290 457 H5' C 43 1H5' C 43 -19.799 -12.155 3.975 458 H5'' C 43 2H5' C 43 -21.422 -12.868 4.025 459 H4' C 43 H4' C 43 -21.350 -10.987 5.557 460 H3' C 43 H3' C 43 -22.901 -10.419 3.011 461 H2' C 43 1H2' C 43 -23.648 -8.414 4.170 462 HO2' C 43 2HO' C 43 -23.086 -8.076 6.341 463 H1' C 43 H1' C 43 -21.146 -7.766 5.030 464 H41 C 43 2H4 C 43 -21.869 -4.763 -0.504 465 H42 C 43 1H4 C 43 -21.438 -6.206 -1.390 466 H5 C 43 H5 C 43 -21.034 -8.362 -0.307 467 H6 C 43 H6 C 43 -20.976 -9.515 1.823 468 H5' C 44 1H5' C 44 -25.204 -9.696 6.511 469 H5'' C 44 2H5' C 44 -26.921 -10.063 6.280 470 H4' C 44 H4' C 44 -26.560 -7.736 7.071 471 H3' C 44 H3' C 44 -27.637 -8.002 4.249 472 H2' C 44 1H2' C 44 -28.063 -5.609 4.447 473 HO2' C 44 2HO' C 44 -27.620 -4.550 6.439 474 H1' C 44 H1' C 44 -25.544 -5.109 5.440 475 H41 C 44 2H4 C 44 -25.225 -4.295 -0.784 476 H42 C 44 1H4 C 44 -24.911 -5.994 -1.035 477 H5 C 44 H5 C 44 -25.002 -7.643 0.783 478 H6 C 44 H6 C 44 -25.394 -7.923 3.160 479 H5' C 45 1H5' C 45 -30.149 -5.383 5.820 480 H5'' C 45 2H5' C 45 -31.831 -5.930 5.666 481 H4' C 45 H4' C 45 -31.629 -3.672 4.760 482 H3' C 45 H3' C 45 -31.985 -5.816 2.637 483 HO3' C 45 H3T C 45 -33.690 -5.646 4.159 484 H2' C 45 1H2' C 45 -32.300 -4.005 1.108 485 HO2' C 45 2HO' C 45 -33.616 -2.717 2.575 486 H1' C 45 H1' C 45 -30.266 -2.450 2.188 487 H41 C 45 2H4 C 45 -28.100 -5.414 -3.008 488 H42 C 45 1H4 C 45 -27.680 -6.823 -2.054 489 H5 C 45 H5 C 45 -28.241 -7.026 0.330 490 H6 C 45 H6 C 45 -29.289 -5.922 2.207 491 H2 L94 46 H2 L94 46 6.450 -0.803 0.004 492 H3 L94 46 H3 L94 46 4.867 0.992 0.160 493 H5 L94 46 H5 L94 46 4.096 0.693 -4.109 494 H6 L94 46 H6 L94 46 5.700 -1.092 -4.268 495 H111 L94 46 1H11 L94 46 8.205 -3.445 -3.450 496 H411 L94 46 4H11 L94 46 2.176 3.378 -2.820 497 H11A L94 46 1H12 L94 46 7.060 -2.438 -4.272 498 H41A L94 46 4H12 L94 46 2.810 2.137 -3.844 499 H121 L94 46 1H21 L94 46 7.353 -2.599 -0.263 500 H424 L94 46 4H21 L94 46 3.906 2.642 0.040 501 H131 L94 46 1H31 L94 46 9.556 -3.361 -2.115 502 H434 L94 46 4H31 L94 46 1.746 4.123 -1.236 503 H13A L94 46 1H32 L94 46 9.289 -3.942 -0.451 504 H43A L94 46 4H32 L94 46 2.247 4.154 0.465 505 H141 L94 46 1H41 L94 46 9.772 -1.670 0.422 506 H444 L94 46 4H41 L94 46 1.167 1.879 0.787 507 H14A L94 46 1H42 L94 46 10.009 -1.061 -1.218 508 H44A L94 46 4H42 L94 46 0.724 1.887 -0.916 509 H151 L94 46 1H51 L94 46 11.955 -2.579 -1.546 510 H454 L94 46 4H51 L94 46 -1.284 2.591 0.063 511 H15A L94 46 1H52 L94 46 11.716 -3.258 0.087 512 H45A L94 46 4H52 L94 46 -0.540 4.158 -0.319 513 H161 L94 46 1H61 L94 46 12.230 -0.393 -0.488 514 H464 L94 46 4H61 L94 46 -0.566 2.744 2.298 515 H171 L94 46 1H72 L94 46 14.082 -2.488 0.504 516 H474 L94 46 4H71 L94 46 -1.863 4.675 3.009 517 H17A L94 46 1H73 L94 46 14.460 -0.748 0.283 518 H47A L94 46 4H72 L94 46 -2.649 3.742 1.697 519 H17B L94 46 1H71 L94 46 14.103 -1.777 -1.143 520 H47B L94 46 4H73 L94 46 -1.799 5.266 1.311 521 H181 L94 46 1H81 L94 46 11.038 -0.742 1.573 522 H484 L94 46 4H83 L94 46 0.435 4.769 3.209 523 H18A L94 46 1H82 L94 46 12.734 -0.255 1.884 524 H48A L94 46 4H81 L94 46 1.531 3.841 2.139 525 H18B L94 46 1H83 L94 46 12.253 -1.978 2.037 526 H48B L94 46 4H82 L94 46 0.710 5.312 1.523 Start of MODEL 6 1 H5' G 1 1H5' G 1 -25.682 1.868 -7.857 2 H5'' G 1 2H5' G 1 -25.553 1.560 -9.606 3 H4' G 1 H4' G 1 -26.699 3.695 -10.005 4 H3' G 1 H3' G 1 -26.184 4.510 -7.609 5 H2' G 1 1H2' G 1 -26.849 2.688 -6.291 6 HO2' G 1 2HO' G 1 -28.281 4.511 -5.694 7 H1' G 1 H1' G 1 -29.444 2.157 -7.597 8 H8 G 1 H8 G 1 -26.418 0.028 -8.469 9 H1 G 1 H1 G 1 -29.484 -1.874 -3.174 10 H21 G 1 1H2 G 1 -31.283 1.123 -3.581 11 H22 G 1 2H2 G 1 -30.950 -0.267 -2.560 12 HO5' G 1 H5T G 1 -23.164 3.211 -6.684 13 H5' G 2 1H5' G 2 -29.627 5.962 -5.271 14 H5'' G 2 2H5' G 2 -28.743 7.404 -4.761 15 H4' G 2 H4' G 2 -28.790 6.267 -2.793 16 H3' G 2 H3' G 2 -26.390 4.849 -4.018 17 H2' G 2 1H2' G 2 -26.137 4.136 -1.685 18 HO2' G 2 2HO' G 2 -27.533 4.982 -0.094 19 H1' G 2 H1' G 2 -28.887 3.658 -1.513 20 H8 G 2 H8 G 2 -27.543 2.200 -4.693 21 H1 G 2 H1 G 2 -25.826 -1.087 0.522 22 H21 G 2 1H2 G 2 -27.426 1.487 2.245 23 H22 G 2 2H2 G 2 -26.565 -0.033 2.348 24 H5' G 3 1H5' G 3 -25.623 6.778 -0.295 25 H5'' G 3 2H5' G 3 -23.932 7.224 -0.035 26 H4' G 3 H4' G 3 -25.008 5.791 1.771 27 H3' G 3 H3' G 3 -22.529 4.707 0.403 28 H2' G 3 1H2' G 3 -22.547 3.126 2.273 29 HO2' G 3 2HO' G 3 -23.300 4.659 3.875 30 H1' G 3 H1' G 3 -25.228 2.601 1.973 31 H8 G 3 H8 G 3 -23.933 2.925 -1.534 32 H1 G 3 H1 G 3 -22.152 -2.463 1.494 33 H21 G 3 1H2 G 3 -23.174 -0.759 4.349 34 H22 G 3 2H2 G 3 -22.456 -2.212 3.690 35 H5' A 4 1H5' A 4 -21.976 5.063 4.733 36 H5'' A 4 2H5' A 4 -20.337 5.664 5.044 37 H4' A 4 H4' A 4 -20.835 3.664 6.394 38 H3' A 4 H3' A 4 -18.733 3.331 4.238 39 H2' A 4 1H2' A 4 -18.280 1.176 5.289 40 HO2' A 4 2HO' A 4 -18.634 1.932 7.489 41 H1' A 4 H1' A 4 -20.913 0.486 5.430 42 H8 A 4 H8 A 4 -20.494 2.521 2.255 43 H61 A 4 2H6 A 4 -18.388 -2.715 -0.330 44 H62 A 4 1H6 A 4 -18.930 -1.079 -0.649 45 H2 A 4 H2 A 4 -18.628 -3.342 4.060 46 H5' A 5 1H5' A 5 -17.112 2.040 8.031 47 H5'' A 5 2H5' A 5 -15.440 2.616 8.173 48 H4' A 5 H4' A 5 -15.575 0.182 8.557 49 H3' A 5 H3' A 5 -14.169 1.042 6.015 50 H2' A 5 1H2' A 5 -13.488 -1.284 5.838 51 HO2' A 5 2HO' A 5 -13.982 -2.749 7.501 52 H1' A 5 H1' A 5 -15.997 -2.241 6.317 53 H8 A 5 H8 A 5 -16.258 1.070 4.430 54 H61 A 5 2H6 A 5 -15.328 -2.277 -0.710 55 H62 A 5 1H6 A 5 -15.743 -0.695 -0.084 56 H2 A 5 H2 A 5 -14.627 -4.916 2.805 57 H5' G 6 1H5' G 6 -11.687 -1.532 8.344 58 H5'' G 6 2H5' G 6 -9.978 -1.054 8.261 59 H4' G 6 H4' G 6 -10.303 -3.427 7.612 60 H3' G 6 H3' G 6 -9.412 -1.543 5.416 61 H2' G 6 1H2' G 6 -9.105 -3.553 4.075 62 HO2' G 6 2HO' G 6 -9.428 -5.604 5.012 63 H1' G 6 H1' G 6 -11.544 -4.573 4.710 64 H8 G 6 H8 G 6 -11.781 -0.752 4.613 65 H1 G 6 H1 G 6 -11.870 -3.560 -1.162 66 H21 G 6 1H2 G 6 -11.000 -6.432 0.617 67 H22 G 6 2H2 G 6 -11.313 -5.713 -0.947 68 H5' A 7 1H5' A 7 -6.845 -4.887 5.418 69 H5'' A 7 2H5' A 7 -5.159 -4.417 5.135 70 H4' A 7 H4' A 7 -5.935 -6.100 3.488 71 H3' A 7 H3' A 7 -5.271 -3.343 2.434 72 H2' A 7 1H2' A 7 -5.626 -4.270 0.214 73 HO2' A 7 2HO' A 7 -4.673 -6.367 0.750 74 H1' A 7 H1' A 7 -7.947 -5.542 0.850 75 H8 A 7 H8 A 7 -7.946 -2.343 2.883 76 H61 A 7 2H6 A 7 -10.018 0.435 -2.271 77 H62 A 7 1H6 A 7 -9.719 0.640 -0.555 78 H2 A 7 H2 A 7 -8.614 -3.626 -3.364 79 H5' U 8 1H5' U 8 -3.276 -6.169 0.019 80 H5'' U 8 2H5' U 8 -1.629 -5.642 -0.380 81 H4' U 8 H4' U 8 -3.003 -6.137 -2.412 82 H3' U 8 H3' U 8 -2.024 -3.314 -1.949 83 H2' U 8 1H2' U 8 -3.065 -2.660 -3.987 84 HO2' U 8 2HO' U 8 -2.267 -4.463 -5.215 85 H1' U 8 H1' U 8 -5.285 -4.365 -3.799 86 H3 U 8 H3 U 8 -6.737 -0.060 -4.011 87 H5 U 8 H5 U 8 -5.482 -0.553 -0.036 88 H6 U 8 H6 U 8 -4.586 -2.707 -0.635 89 H5' C 9 1H5' C 9 0.703 -1.294 -5.276 90 H5'' C 9 2H5' C 9 -0.066 -0.943 -3.727 91 H4' C 9 H4' C 9 -1.361 -0.719 -6.481 92 H3' C 9 H3' C 9 0.007 1.080 -4.546 93 H2' C 9 1H2' C 9 -1.658 2.701 -4.468 94 HO2' C 9 2HO' C 9 -1.778 2.866 -6.814 95 H1' C 9 H1' C 9 -3.900 1.156 -4.876 96 H41 C 9 2H4 C 9 -3.956 2.060 1.413 97 H42 C 9 1H4 C 9 -2.923 0.660 1.575 98 H5 C 9 H5 C 9 -1.761 -0.372 -0.280 99 H6 C 9 H6 C 9 -1.595 -0.499 -2.656 100 H5' U 10 1H5' U 10 -0.645 3.949 -7.748 101 H5'' U 10 2H5' U 10 0.991 4.463 -8.204 102 H4' U 10 H4' U 10 -0.229 6.466 -7.771 103 H3' U 10 H3' U 10 1.513 5.724 -5.400 104 H2' U 10 1H2' U 10 0.979 7.936 -4.573 105 HO2' U 10 2HO' U 10 1.028 8.941 -6.728 106 H1' U 10 H1' U 10 -1.705 7.678 -5.149 107 H3 U 10 H3 U 10 -0.977 7.496 -0.633 108 H5 U 10 H5 U 10 -0.359 3.577 -2.019 109 H6 U 10 H6 U 10 -0.511 4.402 -4.279 110 H5' G 11 1H5' G 11 2.557 9.513 -5.875 111 H5'' G 11 2H5' G 11 4.323 9.679 -5.945 112 H4' G 11 H4' G 11 3.451 11.093 -4.165 113 H3' G 11 H3' G 11 4.860 8.616 -3.118 114 H2' G 11 1H2' G 11 4.771 9.776 -0.979 115 HO2' G 11 2HO' G 11 5.171 11.915 -1.856 116 H1' G 11 H1' G 11 2.146 10.519 -1.327 117 H8 G 11 H8 G 11 2.448 7.009 -2.684 118 H1 G 11 H1 G 11 2.478 7.351 3.737 119 H21 G 11 1H2 G 11 2.901 10.760 3.198 120 H22 G 11 2H2 G 11 2.747 9.470 4.369 121 H5' G 12 1H5' G 12 6.848 12.130 -1.524 122 H5'' G 12 2H5' G 12 8.595 11.823 -1.503 123 H4' G 12 H4' G 12 7.824 12.515 0.722 124 H3' G 12 H3' G 12 8.628 9.599 0.508 125 H2' G 12 1H2' G 12 8.467 9.588 2.926 126 HO2' G 12 2HO' G 12 9.329 11.772 3.204 127 H1' G 12 H1' G 12 6.053 10.873 2.954 128 H8 G 12 H8 G 12 6.236 8.537 -0.054 129 H1 G 12 H1 G 12 5.197 5.589 5.546 130 H21 G 12 1H2 G 12 5.930 8.699 6.924 131 H22 G 12 2H2 G 12 5.500 7.028 7.221 132 H5' C 13 1H5' C 13 10.850 11.278 3.747 133 H5'' C 13 2H5' C 13 12.509 10.650 3.716 134 H4' C 13 H4' C 13 11.408 10.273 5.907 135 H3' C 13 H3' C 13 12.005 7.772 4.302 136 H2' C 13 1H2' C 13 11.447 6.598 6.355 137 HO2' C 13 2HO' C 13 11.054 7.767 8.271 138 H1' C 13 H1' C 13 9.205 8.126 6.818 139 H41 C 13 2H4 C 13 7.371 2.859 3.830 140 H42 C 13 1H4 C 13 7.804 3.557 2.287 141 H5 C 13 H5 C 13 8.874 5.750 2.075 142 H6 C 13 H6 C 13 9.763 7.635 3.274 143 H5' C 14 1H5' C 14 13.699 7.546 8.231 144 H5'' C 14 2H5' C 14 15.256 6.698 8.212 145 H4' C 14 H4' C 14 13.642 5.695 9.827 146 H3' C 14 H3' C 14 14.466 3.975 7.471 147 H2' C 14 1H2' C 14 13.299 2.184 8.620 148 HO2' C 14 2HO' C 14 14.009 2.802 10.766 149 H1' C 14 H1' C 14 11.150 3.732 9.326 150 H41 C 14 2H4 C 14 9.356 0.766 4.047 151 H42 C 14 1H4 C 14 10.335 1.819 3.051 152 H5 C 14 H5 C 14 11.822 3.527 3.990 153 H6 C 14 H6 C 14 12.619 4.530 6.050 154 H5' U 15 1H5' U 15 15.126 1.873 11.348 155 H5'' U 15 2H5' U 15 16.675 1.019 11.220 156 H4' U 15 H4' U 15 14.890 -0.493 11.994 157 H3' U 15 H3' U 15 16.028 -1.022 9.238 158 H2' U 15 1H2' U 15 14.728 -3.068 9.259 159 HO2' U 15 2HO' U 15 15.141 -3.540 11.522 160 H1' U 15 H1' U 15 12.476 -1.901 10.290 161 H3 U 15 H3 U 15 11.395 -2.855 6.007 162 H5 U 15 H5 U 15 13.515 0.759 5.853 163 H6 U 15 H6 U 15 14.156 0.439 8.138 164 H5' U 16 1H5' U 16 16.288 -4.768 11.557 165 H5'' U 16 2H5' U 16 17.880 -5.476 11.218 166 H4' U 16 H4' U 16 16.146 -7.131 10.745 167 H3' U 16 H3' U 16 17.484 -5.955 8.297 168 H2' U 16 1H2' U 16 16.294 -7.612 7.020 169 HO2' U 16 2HO' U 16 15.116 -9.262 8.084 170 H1' U 16 H1' U 16 13.911 -7.244 8.342 171 H3 U 16 H3 U 16 13.153 -5.437 4.283 172 H5 U 16 H5 U 16 15.569 -2.636 6.272 173 H6 U 16 H6 U 16 15.884 -4.213 8.036 174 H5' C 17 1H5' C 17 17.734 -10.201 8.005 175 H5'' C 17 2H5' C 17 19.355 -10.675 7.460 176 H4' C 17 H4' C 17 17.653 -11.677 6.010 177 H3' C 17 H3' C 17 19.248 -9.446 4.712 178 H2' C 17 1H2' C 17 18.170 -10.159 2.643 179 HO2' C 17 2HO' C 17 18.216 -12.457 3.190 180 H1' C 17 H1' C 17 15.694 -10.269 3.762 181 H41 C 17 2H4 C 17 16.052 -4.442 1.456 182 H42 C 17 1H4 C 17 16.807 -3.873 2.925 183 H5 C 17 H5 C 17 17.504 -5.395 4.730 184 H6 C 17 H6 C 17 17.584 -7.692 5.431 185 H5' C 18 1H5' C 18 19.418 -12.862 2.064 186 H5'' C 18 2H5' C 18 21.102 -13.043 1.540 187 H4' C 18 H4' C 18 19.647 -13.008 -0.404 188 H3' C 18 H3' C 18 21.281 -10.484 -0.077 189 H2' C 18 1H2' C 18 20.512 -9.950 -2.327 190 HO2' C 18 2HO' C 18 20.609 -12.145 -3.132 191 H1' C 18 H1' C 18 17.920 -10.569 -1.786 192 H41 C 18 2H4 C 18 18.504 -4.417 -0.446 193 H42 C 18 1H4 C 18 18.963 -4.796 1.199 194 H5 C 18 H5 C 18 19.346 -7.113 1.974 195 H6 C 18 H6 C 18 19.391 -9.415 1.288 196 H5' C 19 1H5' C 19 22.185 -12.162 -4.065 197 H5'' C 19 2H5' C 19 23.938 -12.009 -4.303 198 H4' C 19 H4' C 19 22.752 -11.036 -6.207 199 H3' C 19 H3' C 19 24.094 -9.005 -4.401 200 H2' C 19 1H2' C 19 23.532 -7.392 -6.139 201 HO2' C 19 2HO' C 19 23.941 -8.918 -7.911 202 H1' C 19 H1' C 19 20.970 -8.274 -6.423 203 H41 C 19 2H4 C 19 20.976 -3.595 -2.101 204 H42 C 19 1H4 C 19 21.260 -4.756 -0.825 205 H5 C 19 H5 C 19 21.658 -7.133 -1.252 206 H6 C 19 H6 C 19 21.921 -8.800 -2.979 207 H5' A 20 1H5' A 20 25.279 -7.544 -7.791 208 H5'' A 20 2H5' A 20 27.011 -7.158 -7.817 209 H4' A 20 H4' A 20 25.566 -5.147 -8.152 210 H3' A 20 H3' A 20 27.361 -5.303 -5.735 211 H2' A 20 1H2' A 20 26.583 -3.136 -5.052 212 HO2' A 20 2HO' A 20 26.572 -2.346 -7.322 213 H1' A 20 H1' A 20 23.962 -3.538 -5.577 214 H8 A 20 H8 A 20 24.846 -6.873 -4.212 215 H61 A 20 2H6 A 20 24.822 -4.196 1.398 216 H62 A 20 1H6 A 20 24.790 -5.731 0.549 217 H2 A 20 H2 A 20 24.987 -0.986 -1.670 218 H5' C 21 1H5' C 21 27.824 -1.342 -6.535 219 H5'' C 21 2H5' C 21 29.530 -0.927 -6.399 220 H4' C 21 H4' C 21 27.786 0.067 -4.750 221 H3' C 21 H3' C 21 30.434 0.024 -4.555 222 H2' C 21 1H2' C 21 30.531 -2.295 -3.864 223 HO2' C 21 2HO' C 21 31.278 -2.247 -1.696 224 H1' C 21 H1' C 21 28.544 -1.502 -1.720 225 H41 C 21 2H4 C 21 27.697 -7.763 -0.912 226 H42 C 21 1H4 C 21 28.394 -8.117 -2.480 227 H5 C 21 H5 C 21 29.339 -6.335 -3.954 228 H6 C 21 H6 C 21 29.672 -4.022 -4.181 229 H5' A 22 1H5' A 22 31.587 4.120 -2.823 230 H5'' A 22 2H5' A 22 30.602 4.566 -1.411 231 H4' A 22 H4' A 22 30.451 6.370 -2.987 232 H3' A 22 H3' A 22 28.193 5.314 -1.997 233 H2' A 22 1H2' A 22 27.957 3.616 -3.693 234 HO2' A 22 2HO' A 22 26.531 5.883 -4.571 235 H1' A 22 H1' A 22 28.505 5.594 -5.881 236 H8 A 22 H8 A 22 29.862 2.191 -4.550 237 H61 A 22 2H6 A 22 28.643 0.055 -10.225 238 H62 A 22 1H6 A 22 29.378 -0.334 -8.683 239 H2 A 22 H2 A 22 27.216 4.235 -9.965 240 H5' A 23 1H5' A 23 26.636 8.083 -5.524 241 H5'' A 23 2H5' A 23 25.196 8.965 -4.975 242 H4' A 23 H4' A 23 24.760 7.797 -7.106 243 H3' A 23 H3' A 23 23.297 6.683 -4.704 244 H2' A 23 1H2' A 23 22.268 5.123 -6.177 245 HO2' A 23 2HO' A 23 21.865 6.556 -7.942 246 H1' A 23 H1' A 23 24.478 4.493 -7.606 247 H8 A 23 H8 A 23 24.204 5.014 -3.737 248 H61 A 23 2H6 A 23 23.765 -1.127 -3.598 249 H62 A 23 1H6 A 23 23.527 0.354 -2.685 250 H2 A 23 H2 A 23 24.785 0.073 -7.745 251 H5' G 24 1H5' G 24 18.650 5.790 -5.795 252 H5'' G 24 2H5' G 24 20.166 5.189 -5.086 253 H4' G 24 H4' G 24 19.608 4.719 -8.018 254 H3' G 24 H3' G 24 18.447 3.201 -5.672 255 H2' G 24 1H2' G 24 18.555 1.229 -7.085 256 HO2' G 24 2HO' G 24 19.316 1.424 -9.241 257 H1' G 24 H1' G 24 21.190 1.691 -7.728 258 H8 G 24 H8 G 24 20.634 3.129 -4.265 259 H1 G 24 H1 G 24 20.952 -3.287 -4.326 260 H21 G 24 1H2 G 24 20.803 -2.909 -7.791 261 H22 G 24 2H2 G 24 20.902 -4.018 -6.440 262 H5' G 25 1H5' G 25 16.525 1.800 -9.031 263 H5'' G 25 2H5' G 25 14.780 1.627 -8.774 264 H4' G 25 H4' G 25 15.763 -0.477 -9.566 265 H3' G 25 H3' G 25 14.836 -0.541 -6.683 266 H2' G 25 1H2' G 25 15.195 -2.952 -6.863 267 HO2' G 25 2HO' G 25 15.874 -3.841 -8.864 268 H1' G 25 H1' G 25 17.681 -2.651 -7.912 269 H8 G 25 H8 G 25 17.173 0.292 -5.578 270 H1 G 25 H1 G 25 18.166 -5.273 -2.526 271 H21 G 25 1H2 G 25 17.764 -6.669 -5.696 272 H22 G 25 2H2 G 25 18.052 -6.957 -3.994 273 H5' G 26 1H5' G 26 13.117 -3.816 -8.790 274 H5'' G 26 2H5' G 26 11.416 -4.007 -8.335 275 H4' G 26 H4' G 26 12.606 -6.135 -8.094 276 H3' G 26 H3' G 26 11.802 -4.839 -5.476 277 H2' G 26 1H2' G 26 12.430 -6.973 -4.470 278 HO2' G 26 2HO' G 26 11.692 -8.300 -6.280 279 H1' G 26 H1' G 26 14.823 -7.027 -5.729 280 H8 G 26 H8 G 26 14.097 -3.358 -5.204 281 H1 G 26 H1 G 26 15.658 -6.424 0.215 282 H21 G 26 1H2 G 26 15.159 -9.310 -1.685 283 H22 G 26 2H2 G 26 15.550 -8.636 -0.117 284 H5' A 27 1H5' A 27 10.280 -8.895 -5.379 285 H5'' A 27 2H5' A 27 8.568 -8.768 -4.920 286 H4' A 27 H4' A 27 9.664 -10.433 -3.515 287 H3' A 27 H3' A 27 8.963 -7.843 -2.106 288 H2' A 27 1H2' A 27 9.537 -9.023 -0.053 289 HO2' A 27 2HO' A 27 8.689 -11.114 -0.790 290 H1' A 27 H1' A 27 11.883 -9.966 -1.050 291 H8 A 27 H8 A 27 11.369 -6.604 -2.702 292 H61 A 27 2H6 A 27 13.598 -4.134 2.536 293 H62 A 27 1H6 A 27 13.140 -3.800 0.880 294 H2 A 27 H2 A 27 12.669 -8.396 3.318 295 H5' A 28 1H5' A 28 7.387 -10.897 0.254 296 H5'' A 28 2H5' A 28 5.765 -10.468 0.826 297 H4' A 28 H4' A 28 7.267 -11.011 2.707 298 H3' A 28 H3' A 28 6.452 -8.097 2.510 299 H2' A 28 1H2' A 28 7.414 -7.923 4.751 300 HO2' A 28 2HO' A 28 6.736 -10.084 5.437 301 H1' A 28 H1' A 28 9.721 -9.161 4.008 302 H8 A 28 H8 A 28 8.519 -7.225 0.973 303 H61 A 28 2H6 A 28 10.899 -2.253 3.836 304 H62 A 28 1H6 A 28 10.162 -2.843 2.359 305 H2 A 28 H2 A 28 10.921 -5.636 6.704 306 H5' G 29 1H5' G 29 5.510 -9.154 6.388 307 H5'' G 29 2H5' G 29 3.899 -8.549 6.818 308 H4' G 29 H4' G 29 5.619 -7.774 8.416 309 H3' G 29 H3' G 29 4.442 -5.599 6.656 310 H2' G 29 1H2' G 29 5.565 -4.077 8.182 311 HO2' G 29 2HO' G 29 6.616 -4.893 10.034 312 H1' G 29 H1' G 29 7.904 -5.520 8.148 313 H8 G 29 H8 G 29 6.565 -5.654 4.612 314 H1 G 29 H1 G 29 9.047 0.047 6.211 315 H21 G 29 1H2 G 29 9.101 -1.273 9.437 316 H22 G 29 2H2 G 29 9.447 0.102 8.408 317 H5' G 30 1H5' G 30 3.980 -4.628 10.816 318 H5'' G 30 2H5' G 30 2.397 -3.886 11.115 319 H4' G 30 H4' G 30 4.249 -2.516 12.031 320 H3' G 30 H3' G 30 2.683 -1.323 9.733 321 H2' G 30 1H2' G 30 3.933 0.714 10.153 322 HO2' G 30 2HO' G 30 3.894 0.549 12.471 323 H1' G 30 H1' G 30 6.343 -0.559 10.447 324 H8 G 30 H8 G 30 4.482 -2.314 7.635 325 H1 G 30 H1 G 30 7.106 3.315 6.004 326 H21 G 30 1H2 G 30 7.546 3.701 9.439 327 H22 G 30 2H2 G 30 7.759 4.396 7.847 328 H5' C 31 1H5' C 31 2.794 1.479 13.171 329 H5'' C 31 2H5' C 31 1.183 2.206 13.315 330 H4' C 31 H4' C 31 2.961 3.931 13.268 331 H3' C 31 H3' C 31 1.093 3.852 10.885 332 H2' C 31 1H2' C 31 2.144 5.923 10.202 333 HO2' C 31 2HO' C 31 2.281 6.821 12.361 334 H1' C 31 H1' C 31 4.697 5.074 10.800 335 H41 C 31 2H4 C 31 4.137 3.871 4.621 336 H42 C 31 1H4 C 31 3.117 2.495 4.962 337 H5 C 31 H5 C 31 2.354 1.935 7.174 338 H6 C 31 H6 C 31 2.441 2.499 9.518 339 H5' C 32 1H5' C 32 1.008 7.968 12.536 340 H5'' C 32 2H5' C 32 -0.680 8.510 12.461 341 H4' C 32 H4' C 32 0.751 10.130 11.324 342 H3' C 32 H3' C 32 -0.963 8.483 9.444 343 H2' C 32 1H2' C 32 -0.240 10.044 7.733 344 HO2' C 32 2HO' C 32 1.021 11.856 8.305 345 H1' C 32 H1' C 32 2.388 9.929 8.488 346 H41 C 32 2H4 C 32 1.662 5.352 4.112 347 H42 C 32 1H4 C 32 0.729 4.386 5.238 348 H5 C 32 H5 C 32 0.178 5.097 7.475 349 H6 C 32 H6 C 32 0.356 6.904 9.070 350 H5' A 33 1H5' A 33 -1.856 12.743 8.668 351 H5'' A 33 2H5' A 33 -3.605 12.855 8.399 352 H4' A 33 H4' A 33 -2.438 13.930 6.558 353 H3' A 33 H3' A 33 -3.673 11.271 5.778 354 H2' A 33 1H2' A 33 -3.100 11.940 3.494 355 HO2' A 33 2HO' A 33 -3.515 14.249 3.871 356 H1' A 33 H1' A 33 -0.552 12.552 4.142 357 H8 A 33 H8 A 33 -1.686 9.758 6.469 358 H61 A 33 2H6 A 33 -0.600 5.929 1.731 359 H62 A 33 1H6 A 33 -0.935 6.030 3.452 360 H2 A 33 H2 A 33 -0.365 10.084 0.203 361 H5' G 34 1H5' G 34 -4.687 13.407 2.685 362 H5'' G 34 2H5' G 34 -6.417 13.317 2.324 363 H4' G 34 H4' G 34 -4.955 12.668 0.395 364 H3' G 34 H3' G 34 -6.764 10.514 1.532 365 H2' G 34 1H2' G 34 -6.134 9.274 -0.456 366 HO2' G 34 2HO' G 34 -6.307 11.195 -1.841 367 H1' G 34 H1' G 34 -3.483 10.169 -0.417 368 H8 G 34 H8 G 34 -3.899 8.945 3.035 369 H1 G 34 H1 G 34 -4.330 4.169 -1.249 370 H21 G 34 1H2 G 34 -4.430 6.711 -3.593 371 H22 G 34 2H2 G 34 -4.412 4.982 -3.286 372 H5' G 35 1H5' G 35 -7.601 9.644 -2.025 373 H5'' G 35 2H5' G 35 -9.325 9.933 -2.323 374 H4' G 35 H4' G 35 -8.827 7.677 -2.998 375 H3' G 35 H3' G 35 -10.290 7.759 -0.338 376 H2' G 35 1H2' G 35 -10.652 5.403 -0.756 377 HO2' G 35 2HO' G 35 -11.009 5.755 -3.095 378 H1' G 35 H1' G 35 -8.037 5.015 -1.684 379 H8 G 35 H8 G 35 -6.973 6.873 1.120 380 H1 G 35 H1 G 35 -10.203 1.737 3.209 381 H21 G 35 1H2 G 35 -11.408 1.567 -0.051 382 H22 G 35 2H2 G 35 -11.390 0.854 1.549 383 H5' G 36 1H5' G 36 -14.283 8.834 -3.856 384 H5'' G 36 2H5' G 36 -14.449 7.304 -4.727 385 H4' G 36 H4' G 36 -11.895 8.890 -4.256 386 H3' G 36 H3' G 36 -13.828 8.641 -6.412 387 H2' G 36 1H2' G 36 -12.625 7.545 -8.045 388 HO2' G 36 2HO' G 36 -10.805 8.930 -7.946 389 H1' G 36 H1' G 36 -11.003 5.883 -6.534 390 H8 G 36 H8 G 36 -13.291 4.943 -4.259 391 H1 G 36 H1 G 36 -16.007 3.832 -9.974 392 H21 G 36 1H2 G 36 -13.568 6.035 -11.156 393 H22 G 36 2H2 G 36 -14.919 4.994 -11.559 394 H5' A 37 1H5' A 37 -10.041 11.629 -8.693 395 H5'' A 37 2H5' A 37 -10.821 11.403 -10.270 396 H4' A 37 H4' A 37 -8.663 10.532 -10.596 397 H3' A 37 H3' A 37 -10.354 8.156 -9.772 398 H2' A 37 1H2' A 37 -8.355 6.859 -10.213 399 HO2' A 37 2HO' A 37 -7.898 7.969 -12.211 400 H1' A 37 H1' A 37 -6.592 8.855 -9.308 401 H8 A 37 H8 A 37 -8.731 8.813 -6.400 402 H61 A 37 2H6 A 37 -6.005 3.566 -4.570 403 H62 A 37 1H6 A 37 -6.994 4.924 -4.071 404 H2 A 37 H2 A 37 -5.199 4.066 -8.898 405 H5' A 38 1H5' A 38 -11.524 4.765 -12.779 406 H5'' A 38 2H5' A 38 -11.561 5.216 -11.059 407 H4' A 38 H4' A 38 -9.219 3.813 -12.427 408 H3' A 38 H3' A 38 -11.495 2.847 -10.668 409 H2' A 38 1H2' A 38 -9.999 1.317 -9.674 410 HO2' A 38 2HO' A 38 -8.057 0.715 -10.699 411 H1' A 38 H1' A 38 -7.697 2.938 -10.025 412 H8 A 38 H8 A 38 -10.207 4.847 -8.014 413 H61 A 38 2H6 A 38 -8.231 1.586 -3.118 414 H62 A 38 1H6 A 38 -9.202 2.957 -3.624 415 H2 A 38 H2 A 38 -6.726 -0.383 -6.805 416 H5' U 39 1H5' U 39 -9.779 -0.692 -12.126 417 H5'' U 39 2H5' U 39 -11.038 -1.901 -12.429 418 H4' U 39 H4' U 39 -9.336 -2.688 -10.794 419 H3' U 39 H3' U 39 -12.121 -2.252 -9.692 420 H2' U 39 1H2' U 39 -11.345 -3.308 -7.707 421 HO2' U 39 2HO' U 39 -10.264 -5.073 -8.694 422 H1' U 39 H1' U 39 -8.740 -2.249 -7.963 423 H3 U 39 H3 U 39 -10.069 -1.064 -3.837 424 H5 U 39 H5 U 39 -12.295 1.432 -6.375 425 H6 U 39 H6 U 39 -11.466 0.160 -8.257 426 H5' C 40 1H5' C 40 -10.626 -6.613 -9.348 427 H5'' C 40 2H5' C 40 -12.078 -7.610 -9.546 428 H4' C 40 H4' C 40 -10.863 -8.377 -7.583 429 H3' C 40 H3' C 40 -13.430 -6.886 -6.970 430 H2' C 40 1H2' C 40 -13.082 -7.579 -4.676 431 HO2' C 40 2HO' C 40 -12.311 -9.704 -5.116 432 H1' C 40 H1' C 40 -10.427 -7.028 -4.644 433 H41 C 40 2H4 C 40 -12.833 -1.743 -2.289 434 H42 C 40 1H4 C 40 -13.498 -1.255 -3.830 435 H5 C 40 H5 C 40 -13.349 -2.672 -5.845 436 H6 C 40 H6 C 40 -12.563 -4.805 -6.688 437 H5' U 41 1H5' U 41 -13.248 -10.944 -5.135 438 H5'' U 41 2H5' U 41 -14.887 -11.599 -4.978 439 H4' U 41 H4' U 41 -13.663 -11.592 -2.816 440 H3' U 41 H3' U 41 -16.077 -9.770 -3.008 441 H2' U 41 1H2' U 41 -15.784 -9.493 -0.602 442 HO2' U 41 2HO' U 41 -15.138 -11.717 -0.206 443 H1' U 41 H1' U 41 -13.106 -9.094 -0.772 444 H3 U 41 H3 U 41 -14.622 -4.994 0.164 445 H5 U 41 H5 U 41 -15.277 -5.486 -3.962 446 H6 U 41 H6 U 41 -14.777 -7.816 -3.716 447 H5' U 42 1H5' U 42 -16.385 -12.440 0.411 448 H5'' U 42 2H5' U 42 -18.080 -12.862 0.714 449 H4' U 42 H4' U 42 -16.999 -11.828 2.704 450 H3' U 42 H3' U 42 -19.203 -10.226 1.376 451 H2' U 42 1H2' U 42 -19.059 -8.772 3.325 452 HO2' U 42 2HO' U 42 -18.659 -10.565 4.834 453 H1' U 42 H1' U 42 -16.305 -8.677 3.259 454 H3 U 42 H3 U 42 -17.770 -4.615 1.859 455 H5 U 42 H5 U 42 -17.843 -7.099 -1.530 456 H6 U 42 H6 U 42 -17.538 -8.989 -0.097 457 H5' C 43 1H5' C 43 -20.332 -10.310 5.393 458 H5'' C 43 2H5' C 43 -22.013 -10.864 5.499 459 H4' C 43 H4' C 43 -21.813 -8.758 6.691 460 H3' C 43 H3' C 43 -23.238 -8.500 4.025 461 H2' C 43 1H2' C 43 -23.831 -6.273 4.809 462 HO2' C 43 2HO' C 43 -23.288 -5.631 6.916 463 H1' C 43 H1' C 43 -21.300 -5.707 5.648 464 H41 C 43 2H4 C 43 -21.596 -3.638 -0.338 465 H42 C 43 1H4 C 43 -21.286 -5.245 -0.954 466 H5 C 43 H5 C 43 -21.124 -7.211 0.487 467 H6 C 43 H6 C 43 -21.219 -7.986 2.782 468 H5' C 44 1H5' C 44 -25.560 -7.021 7.265 469 H5'' C 44 2H5' C 44 -27.302 -7.270 7.035 470 H4' C 44 H4' C 44 -26.733 -4.885 7.454 471 H3' C 44 H3' C 44 -27.791 -5.521 4.685 472 H2' C 44 1H2' C 44 -27.993 -3.093 4.473 473 HO2' C 44 2HO' C 44 -28.607 -2.757 6.737 474 H1' C 44 H1' C 44 -25.453 -2.664 5.433 475 H41 C 44 2H4 C 44 -24.924 -2.990 -0.826 476 H42 C 44 1H4 C 44 -24.763 -4.724 -0.765 477 H5 C 44 H5 C 44 -25.052 -6.012 1.310 478 H6 C 44 H6 C 44 -25.519 -5.833 3.679 479 H5' C 45 1H5' C 45 -30.114 -2.463 5.670 480 H5'' C 45 2H5' C 45 -31.829 -2.899 5.525 481 H4' C 45 H4' C 45 -31.378 -0.865 4.241 482 H3' C 45 H3' C 45 -31.892 -3.324 2.533 483 HO3' C 45 H3T C 45 -33.996 -2.395 2.514 484 H2' C 45 1H2' C 45 -31.986 -1.808 0.691 485 HO2' C 45 2HO' C 45 -33.211 -0.150 1.821 486 H1' C 45 H1' C 45 -29.845 -0.263 1.564 487 H41 C 45 2H4 C 45 -27.841 -4.281 -2.942 488 H42 C 45 1H4 C 45 -27.560 -5.524 -1.740 489 H5 C 45 H5 C 45 -28.187 -5.246 0.624 490 H6 C 45 H6 C 45 -29.170 -3.734 2.234 491 H2 L94 46 H2 L94 46 6.619 -1.269 -0.194 492 H3 L94 46 H3 L94 46 5.073 0.549 0.040 493 H5 L94 46 H5 L94 46 4.286 0.439 -4.233 494 H6 L94 46 H6 L94 46 5.848 -1.376 -4.471 495 H111 L94 46 1H11 L94 46 7.192 -2.748 -4.534 496 H411 L94 46 4H11 L94 46 2.963 1.872 -3.879 497 H11A L94 46 1H12 L94 46 8.315 -3.804 -3.750 498 H41A L94 46 4H12 L94 46 2.468 3.148 -2.818 499 H121 L94 46 1H21 L94 46 7.445 -3.168 -0.565 500 H424 L94 46 4H21 L94 46 4.252 2.453 -0.102 501 H131 L94 46 1H31 L94 46 9.749 -3.639 -2.375 502 H434 L94 46 4H31 L94 46 1.644 3.329 -1.066 503 H13A L94 46 1H32 L94 46 9.505 -4.286 -0.733 504 H43A L94 46 4H32 L94 46 2.326 3.519 0.564 505 H141 L94 46 1H41 L94 46 9.802 -2.020 0.220 506 H444 L94 46 4H41 L94 46 1.901 1.118 1.047 507 H14A L94 46 1H42 L94 46 9.999 -1.338 -1.396 508 H44A L94 46 4H42 L94 46 1.317 0.867 -0.594 509 H151 L94 46 1H51 L94 46 12.066 -2.673 -1.756 510 H454 L94 46 4H51 L94 46 -0.558 1.115 1.095 511 H15A L94 46 1H52 L94 46 11.876 -3.431 -0.151 512 H45A L94 46 4H52 L94 46 -0.632 2.328 -0.207 513 H161 L94 46 1H61 L94 46 12.132 -0.509 -0.618 514 H464 L94 46 4H61 L94 46 0.379 3.927 1.229 515 H171 L94 46 1H72 L94 46 14.170 -2.452 0.315 516 H474 L94 46 4H71 L94 46 0.386 1.779 3.286 517 H17A L94 46 1H73 L94 46 14.386 -0.685 0.133 518 H47A L94 46 4H72 L94 46 0.748 3.513 3.577 519 H17B L94 46 1H71 L94 46 14.124 -1.707 -1.320 520 H47B L94 46 4H73 L94 46 1.830 2.546 2.532 521 H181 L94 46 1H81 L94 46 12.295 -2.180 1.842 522 H484 L94 46 4H83 L94 46 -1.403 4.217 2.796 523 H18A L94 46 1H82 L94 46 10.981 -1.036 1.424 524 H48A L94 46 4H81 L94 46 -1.994 3.686 1.189 525 H18B L94 46 1H83 L94 46 12.627 -0.419 1.758 526 H48B L94 46 4H82 L94 46 -1.874 2.506 2.537 Start of MODEL 7 1 H5' G 1 1H5' G 1 -25.400 2.011 -9.436 2 H5'' G 1 2H5' G 1 -24.626 3.539 -9.011 3 H4' G 1 H4' G 1 -26.634 4.264 -9.486 4 H3' G 1 H3' G 1 -25.988 4.664 -7.011 5 H2' G 1 1H2' G 1 -26.704 2.737 -5.892 6 HO2' G 1 2HO' G 1 -28.179 4.457 -5.158 7 H1' G 1 H1' G 1 -29.235 2.309 -7.345 8 H8 G 1 H8 G 1 -26.095 0.383 -8.323 9 H1 G 1 H1 G 1 -29.396 -2.252 -3.501 10 H21 G 1 1H2 G 1 -31.236 0.742 -3.616 11 H22 G 1 2H2 G 1 -30.922 -0.762 -2.761 12 HO5' G 1 H5T G 1 -21.669 2.514 -7.196 13 H5' G 2 1H5' G 2 -29.521 5.845 -4.593 14 H5'' G 2 2H5' G 2 -28.655 7.206 -3.864 15 H4' G 2 H4' G 2 -28.836 5.823 -2.062 16 H3' G 2 H3' G 2 -26.349 4.587 -3.301 17 H2' G 2 1H2' G 2 -26.234 3.579 -1.065 18 HO2' G 2 2HO' G 2 -27.720 4.206 0.535 19 H1' G 2 H1' G 2 -28.985 3.072 -1.128 20 H8 G 2 H8 G 2 -27.424 2.053 -4.386 21 H1 G 2 H1 G 2 -26.004 -1.897 0.452 22 H21 G 2 1H2 G 2 -27.726 0.426 2.394 23 H22 G 2 2H2 G 2 -26.867 -1.099 2.349 24 H5' G 3 1H5' G 3 -25.846 6.021 0.685 25 H5'' G 3 2H5' G 3 -24.181 6.437 1.108 26 H4' G 3 H4' G 3 -25.342 4.772 2.640 27 H3' G 3 H3' G 3 -22.775 3.892 1.285 28 H2' G 3 1H2' G 3 -22.881 2.072 2.926 29 HO2' G 3 2HO' G 3 -23.745 3.366 4.676 30 H1' G 3 H1' G 3 -25.535 1.580 2.404 31 H8 G 3 H8 G 3 -24.037 2.368 -0.952 32 H1 G 3 H1 G 3 -22.372 -3.366 1.446 33 H21 G 3 1H2 G 3 -23.594 -2.055 4.430 34 H22 G 3 2H2 G 3 -22.817 -3.409 3.636 35 H5' A 4 1H5' A 4 -22.459 3.677 5.665 36 H5'' A 4 2H5' A 4 -20.846 4.243 6.132 37 H4' A 4 H4' A 4 -21.374 2.075 7.188 38 H3' A 4 H3' A 4 -19.187 2.033 5.095 39 H2' A 4 1H2' A 4 -18.758 -0.243 5.879 40 HO2' A 4 2HO' A 4 -19.224 0.230 8.140 41 H1' A 4 H1' A 4 -21.380 -0.949 5.796 42 H8 A 4 H8 A 4 -20.821 1.524 2.965 43 H61 A 4 2H6 A 4 -18.591 -3.295 -0.248 44 H62 A 4 1H6 A 4 -19.111 -1.624 -0.346 45 H2 A 4 H2 A 4 -19.040 -4.552 3.991 46 H5' A 5 1H5' A 5 -17.686 0.239 8.730 47 H5'' A 5 2H5' A 5 -16.031 0.804 9.013 48 H4' A 5 H4' A 5 -16.131 -1.656 9.058 49 H3' A 5 H3' A 5 -14.679 -0.454 6.685 50 H2' A 5 1H2' A 5 -13.960 -2.735 6.224 51 HO2' A 5 2HO' A 5 -14.492 -4.409 7.676 52 H1' A 5 H1' A 5 -16.463 -3.768 6.496 53 H8 A 5 H8 A 5 -16.733 -0.232 5.080 54 H61 A 5 2H6 A 5 -15.553 -2.810 -0.438 55 H62 A 5 1H6 A 5 -16.029 -1.340 0.388 56 H2 A 5 H2 A 5 -14.930 -5.905 2.701 57 H5' G 6 1H5' G 6 -12.188 -3.301 8.662 58 H5'' G 6 2H5' G 6 -10.501 -2.756 8.704 59 H4' G 6 H4' G 6 -10.686 -5.007 7.708 60 H3' G 6 H3' G 6 -9.894 -2.795 5.793 61 H2' G 6 1H2' G 6 -9.444 -4.601 4.210 62 HO2' G 6 2HO' G 6 -8.642 -6.106 5.853 63 H1' G 6 H1' G 6 -11.822 -5.826 4.671 64 H8 G 6 H8 G 6 -12.328 -2.064 5.067 65 H1 G 6 H1 G 6 -12.040 -4.051 -1.039 66 H21 G 6 1H2 G 6 -11.014 -7.073 0.376 67 H22 G 6 2H2 G 6 -11.346 -6.180 -1.092 68 H5' A 7 1H5' A 7 -7.024 -5.883 5.322 69 H5'' A 7 2H5' A 7 -5.400 -5.180 5.207 70 H4' A 7 H4' A 7 -5.908 -6.640 3.272 71 H3' A 7 H3' A 7 -5.610 -3.681 2.695 72 H2' A 7 1H2' A 7 -5.719 -4.296 0.352 73 HO2' A 7 2HO' A 7 -5.747 -6.491 -0.257 74 H1' A 7 H1' A 7 -7.862 -5.955 0.660 75 H8 A 7 H8 A 7 -8.420 -3.126 3.102 76 H61 A 7 2H6 A 7 -10.423 0.174 -1.762 77 H62 A 7 1H6 A 7 -10.302 0.134 -0.016 78 H2 A 7 H2 A 7 -8.508 -3.522 -3.299 79 H5' U 8 1H5' U 8 -3.155 -5.866 0.092 80 H5'' U 8 2H5' U 8 -1.570 -5.101 -0.155 81 H4' U 8 H4' U 8 -2.770 -5.534 -2.305 82 H3' U 8 H3' U 8 -2.260 -2.657 -1.511 83 H2' U 8 1H2' U 8 -3.196 -2.008 -3.613 84 HO2' U 8 2HO' U 8 -3.587 -3.576 -5.252 85 H1' U 8 H1' U 8 -5.219 -3.942 -3.636 86 H3 U 8 H3 U 8 -6.968 0.270 -3.592 87 H5 U 8 H5 U 8 -6.008 -0.540 0.415 88 H6 U 8 H6 U 8 -4.897 -2.546 -0.299 89 H5' C 9 1H5' C 9 -1.476 -2.097 -5.159 90 H5'' C 9 2H5' C 9 0.168 -1.483 -5.417 91 H4' C 9 H4' C 9 -1.510 0.060 -6.361 92 H3' C 9 H3' C 9 0.242 0.915 -4.092 93 H2' C 9 1H2' C 9 -0.878 2.946 -3.852 94 HO2' C 9 2HO' C 9 -0.641 3.511 -6.094 95 H1' C 9 H1' C 9 -3.395 2.200 -4.888 96 H41 C 9 2H4 C 9 -4.669 3.055 1.283 97 H42 C 9 1H4 C 9 -3.830 1.563 1.652 98 H5 C 9 H5 C 9 -2.445 0.371 0.060 99 H6 C 9 H6 C 9 -1.827 0.191 -2.249 100 H5' U 10 1H5' U 10 0.125 4.030 -7.546 101 H5'' U 10 2H5' U 10 1.838 4.426 -7.762 102 H4' U 10 H4' U 10 0.622 6.501 -7.699 103 H3' U 10 H3' U 10 2.102 5.930 -5.115 104 H2' U 10 1H2' U 10 1.603 8.237 -4.557 105 HO2' U 10 2HO' U 10 0.594 9.587 -6.106 106 H1' U 10 H1' U 10 -1.021 8.036 -5.362 107 H3 U 10 H3 U 10 -0.551 8.239 -0.757 108 H5 U 10 H5 U 10 -0.497 4.169 -1.778 109 H6 U 10 H6 U 10 -0.334 4.798 -4.096 110 H5' G 11 1H5' G 11 3.287 9.606 -5.919 111 H5'' G 11 2H5' G 11 5.058 9.735 -5.920 112 H4' G 11 H4' G 11 4.132 11.381 -4.375 113 H3' G 11 H3' G 11 5.476 9.026 -3.010 114 H2' G 11 1H2' G 11 5.306 10.378 -0.998 115 HO2' G 11 2HO' G 11 5.763 12.424 -2.059 116 H1' G 11 H1' G 11 2.710 11.105 -1.509 117 H8 G 11 H8 G 11 2.922 7.496 -2.584 118 H1 G 11 H1 G 11 2.976 8.228 3.795 119 H21 G 11 1H2 G 11 3.509 11.591 3.065 120 H22 G 11 2H2 G 11 3.323 10.374 4.307 121 H5' G 12 1H5' G 12 7.458 12.614 -1.611 122 H5'' G 12 2H5' G 12 9.204 12.295 -1.599 123 H4' G 12 H4' G 12 8.502 13.109 0.596 124 H3' G 12 H3' G 12 9.189 10.158 0.519 125 H2' G 12 1H2' G 12 9.049 10.250 2.932 126 HO2' G 12 2HO' G 12 9.992 12.421 3.103 127 H1' G 12 H1' G 12 6.682 11.609 2.936 128 H8 G 12 H8 G 12 6.776 9.211 -0.024 129 H1 G 12 H1 G 12 5.645 6.401 5.627 130 H21 G 12 1H2 G 12 6.490 9.508 6.949 131 H22 G 12 2H2 G 12 6.003 7.859 7.278 132 H5' C 13 1H5' C 13 11.509 11.751 3.673 133 H5'' C 13 2H5' C 13 13.143 11.070 3.608 134 H4' C 13 H4' C 13 12.077 10.706 5.814 135 H3' C 13 H3' C 13 12.511 8.192 4.179 136 H2' C 13 1H2' C 13 11.943 7.029 6.233 137 HO2' C 13 2HO' C 13 11.644 8.201 8.166 138 H1' C 13 H1' C 13 9.794 8.666 6.759 139 H41 C 13 2H4 C 13 7.680 3.485 3.808 140 H42 C 13 1H4 C 13 8.088 4.175 2.254 141 H5 C 13 H5 C 13 9.209 6.340 2.021 142 H6 C 13 H6 C 13 10.210 8.181 3.198 143 H5' C 14 1H5' C 14 14.277 7.848 8.072 144 H5'' C 14 2H5' C 14 15.787 6.925 8.016 145 H4' C 14 H4' C 14 14.158 6.000 9.662 146 H3' C 14 H3' C 14 14.844 4.245 7.286 147 H2' C 14 1H2' C 14 13.612 2.513 8.455 148 HO2' C 14 2HO' C 14 14.400 3.069 10.579 149 H1' C 14 H1' C 14 11.567 4.175 9.220 150 H41 C 14 2H4 C 14 9.497 1.269 4.008 151 H42 C 14 1H4 C 14 10.511 2.258 2.981 152 H5 C 14 H5 C 14 12.091 3.908 3.868 153 H6 C 14 H6 C 14 12.990 4.880 5.902 154 H5' U 15 1H5' U 15 15.504 2.133 11.184 155 H5'' U 15 2H5' U 15 17.001 1.203 11.027 156 H4' U 15 H4' U 15 15.163 -0.210 11.873 157 H3' U 15 H3' U 15 16.188 -0.838 9.095 158 H2' U 15 1H2' U 15 14.782 -2.812 9.194 159 HO2' U 15 2HO' U 15 15.234 -3.256 11.456 160 H1' U 15 H1' U 15 12.622 -1.507 10.254 161 H3 U 15 H3 U 15 11.379 -2.442 6.015 162 H5 U 15 H5 U 15 13.721 1.030 5.751 163 H6 U 15 H6 U 15 14.393 0.705 8.031 164 H5' U 16 1H5' U 16 16.293 -4.533 11.501 165 H5'' U 16 2H5' U 16 17.815 -5.363 11.122 166 H4' U 16 H4' U 16 15.943 -6.891 10.761 167 H3' U 16 H3' U 16 17.299 -5.903 8.241 168 H2' U 16 1H2' U 16 15.930 -7.492 7.047 169 HO2' U 16 2HO' U 16 16.119 -9.184 8.679 170 H1' U 16 H1' U 16 13.630 -6.902 8.430 171 H3 U 16 H3 U 16 12.899 -5.168 4.331 172 H5 U 16 H5 U 16 15.571 -2.499 6.174 173 H6 U 16 H6 U 16 15.816 -4.048 7.974 174 H5' C 17 1H5' C 17 17.285 -10.238 8.050 175 H5'' C 17 2H5' C 17 18.859 -10.779 7.431 176 H4' C 17 H4' C 17 17.015 -11.692 6.073 177 H3' C 17 H3' C 17 18.731 -9.609 4.695 178 H2' C 17 1H2' C 17 17.548 -10.262 2.671 179 HO2' C 17 2HO' C 17 16.064 -11.998 2.738 180 H1' C 17 H1' C 17 15.101 -10.177 3.867 181 H41 C 17 2H4 C 17 15.851 -4.454 1.392 182 H42 C 17 1H4 C 17 16.687 -3.910 2.829 183 H5 C 17 H5 C 17 17.302 -5.432 4.656 184 H6 C 17 H6 C 17 17.216 -7.711 5.424 185 H5' C 18 1H5' C 18 18.476 -13.032 2.160 186 H5'' C 18 2H5' C 18 20.101 -13.441 1.578 187 H4' C 18 H4' C 18 18.589 -13.311 -0.313 188 H3' C 18 H3' C 18 20.515 -10.982 -0.143 189 H2' C 18 1H2' C 18 19.722 -10.408 -2.365 190 HO2' C 18 2HO' C 18 19.539 -12.641 -3.096 191 H1' C 18 H1' C 18 17.091 -10.740 -1.729 192 H41 C 18 2H4 C 18 18.305 -4.650 -0.566 193 H42 C 18 1H4 C 18 18.759 -5.034 1.080 194 H5 C 18 H5 C 18 18.956 -7.359 1.903 195 H6 C 18 H6 C 18 18.771 -9.669 1.266 196 H5' C 19 1H5' C 19 20.941 -12.682 -4.164 197 H5'' C 19 2H5' C 19 22.685 -12.861 -4.431 198 H4' C 19 H4' C 19 21.736 -11.670 -6.317 199 H3' C 19 H3' C 19 23.354 -9.924 -4.444 200 H2' C 19 1H2' C 19 23.120 -8.186 -6.105 201 HO2' C 19 2HO' C 19 23.406 -9.563 -7.958 202 H1' C 19 H1' C 19 20.460 -8.676 -6.578 203 H41 C 19 2H4 C 19 20.817 -4.041 -2.220 204 H42 C 19 1H4 C 19 20.960 -5.226 -0.944 205 H5 C 19 H5 C 19 21.135 -7.635 -1.370 206 H6 C 19 H6 C 19 21.254 -9.317 -3.098 207 H5' A 20 1H5' A 20 27.339 -7.941 -6.501 208 H5'' A 20 2H5' A 20 26.296 -7.721 -5.085 209 H4' A 20 H4' A 20 25.792 -6.505 -7.836 210 H3' A 20 H3' A 20 27.350 -5.671 -5.479 211 H2' A 20 1H2' A 20 26.194 -3.721 -4.926 212 HO2' A 20 2HO' A 20 24.904 -2.619 -6.418 213 H1' A 20 H1' A 20 23.667 -4.422 -5.539 214 H8 A 20 H8 A 20 24.462 -7.631 -4.036 215 H61 A 20 2H6 A 20 24.503 -4.760 1.483 216 H62 A 20 1H6 A 20 24.426 -6.322 0.688 217 H2 A 20 H2 A 20 24.812 -1.666 -1.692 218 H5' C 21 1H5' C 21 27.586 -2.139 -6.493 219 H5'' C 21 2H5' C 21 29.242 -1.544 -6.491 220 H4' C 21 H4' C 21 27.653 -0.639 -4.737 221 H3' C 21 H3' C 21 30.300 -0.742 -4.514 222 H2' C 21 1H2' C 21 30.349 -3.076 -3.879 223 HO2' C 21 2HO' C 21 31.648 -1.829 -2.389 224 H1' C 21 H1' C 21 28.332 -2.327 -1.749 225 H41 C 21 2H4 C 21 27.443 -8.590 -1.134 226 H42 C 21 1H4 C 21 28.185 -8.911 -2.688 227 H5 C 21 H5 C 21 29.149 -7.092 -4.101 228 H6 C 21 H6 C 21 29.478 -4.775 -4.270 229 H5' A 22 1H5' A 22 31.570 3.241 -2.614 230 H5'' A 22 2H5' A 22 30.549 3.673 -1.225 231 H4' A 22 H4' A 22 30.513 5.529 -2.756 232 H3' A 22 H3' A 22 28.195 4.528 -1.853 233 H2' A 22 1H2' A 22 27.948 2.879 -3.600 234 HO2' A 22 2HO' A 22 26.613 5.211 -4.437 235 H1' A 22 H1' A 22 28.615 4.900 -5.715 236 H8 A 22 H8 A 22 29.830 1.405 -4.460 237 H61 A 22 2H6 A 22 28.706 -0.502 -10.232 238 H62 A 22 1H6 A 22 29.391 -0.962 -8.687 239 H2 A 22 H2 A 22 27.376 3.702 -9.862 240 H5' A 23 1H5' A 23 26.843 7.375 -5.375 241 H5'' A 23 2H5' A 23 25.434 8.320 -4.854 242 H4' A 23 H4' A 23 24.971 7.208 -6.993 243 H3' A 23 H3' A 23 23.443 6.100 -4.632 244 H2' A 23 1H2' A 23 22.375 4.605 -6.145 245 HO2' A 23 2HO' A 23 22.039 6.091 -7.883 246 H1' A 23 H1' A 23 24.570 3.939 -7.587 247 H8 A 23 H8 A 23 24.249 4.344 -3.714 248 H61 A 23 2H6 A 23 23.739 -1.797 -3.760 249 H62 A 23 1H6 A 23 23.523 -0.338 -2.808 250 H2 A 23 H2 A 23 24.773 -0.486 -7.871 251 H5' G 24 1H5' G 24 18.805 5.387 -5.812 252 H5'' G 24 2H5' G 24 20.306 4.726 -5.129 253 H4' G 24 H4' G 24 19.737 4.359 -8.074 254 H3' G 24 H3' G 24 18.501 2.834 -5.778 255 H2' G 24 1H2' G 24 18.570 0.870 -7.219 256 HO2' G 24 2HO' G 24 19.356 1.070 -9.363 257 H1' G 24 H1' G 24 21.224 1.254 -7.822 258 H8 G 24 H8 G 24 20.759 2.692 -4.363 259 H1 G 24 H1 G 24 20.708 -3.731 -4.442 260 H21 G 24 1H2 G 24 20.543 -3.333 -7.905 261 H22 G 24 2H2 G 24 20.609 -4.450 -6.559 262 H5' G 25 1H5' G 25 16.561 1.541 -9.168 263 H5'' G 25 2H5' G 25 14.805 1.468 -8.932 264 H4' G 25 H4' G 25 15.660 -0.692 -9.719 265 H3' G 25 H3' G 25 14.734 -0.693 -6.834 266 H2' G 25 1H2' G 25 14.955 -3.115 -6.990 267 HO2' G 25 2HO' G 25 15.558 -4.068 -8.982 268 H1' G 25 H1' G 25 17.452 -2.974 -8.050 269 H8 G 25 H8 G 25 17.117 0.024 -5.754 270 H1 G 25 H1 G 25 17.812 -5.536 -2.618 271 H21 G 25 1H2 G 25 17.331 -6.958 -5.770 272 H22 G 25 2H2 G 25 17.608 -7.235 -4.065 273 H5' G 26 1H5' G 26 12.820 -3.895 -8.838 274 H5'' G 26 2H5' G 26 11.102 -3.938 -8.402 275 H4' G 26 H4' G 26 12.113 -6.138 -8.052 276 H3' G 26 H3' G 26 11.421 -4.665 -5.495 277 H2' G 26 1H2' G 26 11.889 -6.792 -4.393 278 HO2' G 26 2HO' G 26 12.415 -8.626 -5.660 279 H1' G 26 H1' G 26 14.257 -7.119 -5.680 280 H8 G 26 H8 G 26 13.834 -3.385 -5.257 281 H1 G 26 H1 G 26 15.289 -6.408 0.213 282 H21 G 26 1H2 G 26 14.521 -9.296 -1.591 283 H22 G 26 2H2 G 26 14.990 -8.613 -0.049 284 H5' A 27 1H5' A 27 9.671 -8.562 -5.252 285 H5'' A 27 2H5' A 27 7.963 -8.340 -4.826 286 H4' A 27 H4' A 27 8.887 -10.012 -3.347 287 H3' A 27 H3' A 27 8.478 -7.330 -1.997 288 H2' A 27 1H2' A 27 8.929 -8.526 0.072 289 HO2' A 27 2HO' A 27 9.265 -10.790 0.020 290 H1' A 27 H1' A 27 11.166 -9.717 -0.914 291 H8 A 27 H8 A 27 10.942 -6.364 -2.637 292 H61 A 27 2H6 A 27 13.402 -3.960 2.523 293 H62 A 27 1H6 A 27 12.952 -3.629 0.869 294 H2 A 27 H2 A 27 12.156 -8.123 3.409 295 H5' A 28 1H5' A 28 6.685 -10.177 0.366 296 H5'' A 28 2H5' A 28 5.106 -9.640 0.974 297 H4' A 28 H4' A 28 6.590 -10.310 2.827 298 H3' A 28 H3' A 28 5.994 -7.343 2.657 299 H2' A 28 1H2' A 28 7.003 -7.246 4.881 300 HO2' A 28 2HO' A 28 6.184 -9.359 5.571 301 H1' A 28 H1' A 28 9.199 -8.647 4.101 302 H8 A 28 H8 A 28 8.100 -6.646 1.074 303 H61 A 28 2H6 A 28 10.896 -1.844 3.843 304 H62 A 28 1H6 A 28 10.099 -2.390 2.385 305 H2 A 28 H2 A 28 10.702 -5.192 6.755 306 H5' G 29 1H5' G 29 5.047 -8.323 6.521 307 H5'' G 29 2H5' G 29 3.492 -7.610 6.993 308 H4' G 29 H4' G 29 5.294 -6.952 8.549 309 H3' G 29 H3' G 29 4.217 -4.709 6.812 310 H2' G 29 1H2' G 29 5.494 -3.259 8.293 311 HO2' G 29 2HO' G 29 5.055 -4.477 10.245 312 H1' G 29 H1' G 29 7.721 -4.856 8.211 313 H8 G 29 H8 G 29 6.292 -4.939 4.712 314 H1 G 29 H1 G 29 9.145 0.622 6.187 315 H21 G 29 1H2 G 29 9.183 -0.664 9.426 316 H22 G 29 2H2 G 29 9.591 0.675 8.376 317 H5' G 30 1H5' G 30 3.845 -3.637 11.026 318 H5'' G 30 2H5' G 30 2.307 -2.788 11.271 319 H4' G 30 H4' G 30 4.258 -1.515 12.159 320 H3' G 30 H3' G 30 2.731 -0.300 9.845 321 H2' G 30 1H2' G 30 4.101 1.671 10.176 322 HO2' G 30 2HO' G 30 4.079 1.597 12.502 323 H1' G 30 H1' G 30 6.442 0.279 10.503 324 H8 G 30 H8 G 30 4.451 -1.425 7.740 325 H1 G 30 H1 G 30 7.456 3.973 5.984 326 H21 G 30 1H2 G 30 7.926 4.391 9.413 327 H22 G 30 2H2 G 30 8.189 5.039 7.809 328 H5' C 31 1H5' C 31 2.986 2.585 13.287 329 H5'' C 31 2H5' C 31 1.404 3.375 13.412 330 H4' C 31 H4' C 31 3.231 5.036 13.365 331 H3' C 31 H3' C 31 1.398 4.977 10.956 332 H2' C 31 1H2' C 31 2.539 6.978 10.217 333 HO2' C 31 2HO' C 31 2.665 7.946 12.338 334 H1' C 31 H1' C 31 5.053 6.071 10.891 335 H41 C 31 2H4 C 31 4.597 4.653 4.752 336 H42 C 31 1H4 C 31 3.496 3.344 5.112 337 H5 C 31 H5 C 31 2.649 2.903 7.323 338 H6 C 31 H6 C 31 2.705 3.556 9.647 339 H5' C 32 1H5' C 32 1.394 9.176 12.503 340 H5'' C 32 2H5' C 32 -0.282 9.747 12.362 341 H4' C 32 H4' C 32 1.229 11.293 11.216 342 H3' C 32 H3' C 32 -0.507 9.650 9.354 343 H2' C 32 1H2' C 32 0.334 11.106 7.598 344 HO2' C 32 2HO' C 32 0.342 13.052 8.900 345 H1' C 32 H1' C 32 2.932 10.931 8.427 346 H41 C 32 2H4 C 32 2.205 6.181 4.250 347 H42 C 32 1H4 C 32 1.233 5.280 5.396 348 H5 C 32 H5 C 32 0.615 6.119 7.578 349 H6 C 32 H6 C 32 0.794 7.999 9.086 350 H5' A 33 1H5' A 33 -1.244 13.931 8.395 351 H5'' A 33 2H5' A 33 -2.963 14.076 7.981 352 H4' A 33 H4' A 33 -1.525 14.988 6.196 353 H3' A 33 H3' A 33 -3.013 12.452 5.457 354 H2' A 33 1H2' A 33 -2.215 12.907 3.188 355 HO2' A 33 2HO' A 33 -2.361 15.279 3.425 356 H1' A 33 H1' A 33 0.337 13.248 3.976 357 H8 A 33 H8 A 33 -1.175 10.738 6.391 358 H61 A 33 2H6 A 33 -0.534 6.586 1.850 359 H62 A 33 1H6 A 33 -0.879 6.807 3.559 360 H2 A 33 H2 A 33 0.289 10.595 0.152 361 H5' G 34 1H5' G 34 -3.482 14.517 2.174 362 H5'' G 34 2H5' G 34 -5.182 14.671 1.703 363 H4' G 34 H4' G 34 -3.725 13.721 -0.104 364 H3' G 34 H3' G 34 -5.929 11.978 1.012 365 H2' G 34 1H2' G 34 -5.415 10.499 -0.840 366 HO2' G 34 2HO' G 34 -5.229 12.302 -2.371 367 H1' G 34 H1' G 34 -2.650 10.998 -0.745 368 H8 G 34 H8 G 34 -3.414 10.008 2.723 369 H1 G 34 H1 G 34 -4.197 5.128 -1.398 370 H21 G 34 1H2 G 34 -3.823 7.558 -3.836 371 H22 G 34 2H2 G 34 -4.052 5.857 -3.466 372 H5' G 35 1H5' G 35 -6.774 10.991 -2.494 373 H5'' G 35 2H5' G 35 -8.424 11.509 -2.890 374 H4' G 35 H4' G 35 -8.282 9.149 -3.311 375 H3' G 35 H3' G 35 -9.735 9.736 -0.714 376 H2' G 35 1H2' G 35 -10.459 7.445 -0.874 377 HO2' G 35 2HO' G 35 -10.740 7.619 -3.273 378 H1' G 35 H1' G 35 -7.949 6.572 -1.787 379 H8 G 35 H8 G 35 -6.647 8.430 0.945 380 H1 G 35 H1 G 35 -10.546 3.856 3.198 381 H21 G 35 1H2 G 35 -11.636 3.630 -0.101 382 H22 G 35 2H2 G 35 -11.782 3.030 1.536 383 H5' G 36 1H5' G 36 -13.829 10.306 -4.384 384 H5'' G 36 2H5' G 36 -14.030 8.582 -4.707 385 H4' G 36 H4' G 36 -11.461 10.208 -4.945 386 H3' G 36 H3' G 36 -13.561 9.291 -6.764 387 H2' G 36 1H2' G 36 -12.374 7.847 -8.145 388 HO2' G 36 2HO' G 36 -10.550 9.228 -8.431 389 H1' G 36 H1' G 36 -10.778 6.601 -6.262 390 H8 G 36 H8 G 36 -12.795 6.441 -3.652 391 H1 G 36 H1 G 36 -16.351 4.143 -8.475 392 H21 G 36 1H2 G 36 -14.031 5.745 -10.514 393 H22 G 36 2H2 G 36 -15.471 4.754 -10.426 394 H5' A 37 1H5' A 37 -9.950 11.823 -9.480 395 H5'' A 37 2H5' A 37 -10.387 11.309 -11.116 396 H4' A 37 H4' A 37 -8.138 10.686 -10.888 397 H3' A 37 H3' A 37 -9.708 8.207 -10.116 398 H2' A 37 1H2' A 37 -7.560 7.134 -10.023 399 HO2' A 37 2HO' A 37 -6.726 7.967 -11.965 400 H1' A 37 H1' A 37 -6.232 9.436 -9.065 401 H8 A 37 H8 A 37 -8.492 9.550 -6.434 402 H61 A 37 2H6 A 37 -6.092 4.389 -3.979 403 H62 A 37 1H6 A 37 -7.056 5.819 -3.658 404 H2 A 37 H2 A 37 -5.029 4.463 -8.274 405 H5' A 38 1H5' A 38 -11.839 5.491 -11.375 406 H5'' A 38 2H5' A 38 -10.730 6.551 -10.503 407 H4' A 38 H4' A 38 -9.304 4.448 -12.000 408 H3' A 38 H3' A 38 -11.433 3.637 -10.005 409 H2' A 38 1H2' A 38 -9.937 1.978 -9.231 410 HO2' A 38 2HO' A 38 -8.151 1.306 -10.480 411 H1' A 38 H1' A 38 -7.584 3.454 -9.714 412 H8 A 38 H8 A 38 -9.743 5.566 -7.575 413 H61 A 38 2H6 A 38 -8.197 1.960 -2.783 414 H62 A 38 1H6 A 38 -9.022 3.429 -3.264 415 H2 A 38 H2 A 38 -6.796 -0.008 -6.520 416 H5' U 39 1H5' U 39 -10.038 0.114 -11.875 417 H5'' U 39 2H5' U 39 -11.361 -1.034 -12.144 418 H4' U 39 H4' U 39 -9.476 -1.976 -10.765 419 H3' U 39 H3' U 39 -12.183 -1.685 -9.435 420 H2' U 39 1H2' U 39 -11.264 -2.924 -7.620 421 HO2' U 39 2HO' U 39 -10.223 -4.546 -8.889 422 H1' U 39 H1' U 39 -8.706 -1.787 -7.900 423 H3 U 39 H3 U 39 -10.052 -1.007 -3.642 424 H5 U 39 H5 U 39 -12.239 1.732 -5.955 425 H6 U 39 H6 U 39 -11.385 0.656 -7.941 426 H5' C 40 1H5' C 40 -10.644 -6.039 -9.544 427 H5'' C 40 2H5' C 40 -12.100 -7.005 -9.866 428 H4' C 40 H4' C 40 -10.901 -8.009 -8.014 429 H3' C 40 H3' C 40 -13.439 -6.562 -7.210 430 H2' C 40 1H2' C 40 -13.110 -7.563 -5.032 431 HO2' C 40 2HO' C 40 -11.511 -9.123 -4.709 432 H1' C 40 H1' C 40 -10.458 -7.016 -4.920 433 H41 C 40 2H4 C 40 -12.890 -2.059 -1.967 434 H42 C 40 1H4 C 40 -13.408 -1.323 -3.465 435 H5 C 40 H5 C 40 -13.192 -2.458 -5.644 436 H6 C 40 H6 C 40 -12.432 -4.485 -6.730 437 H5' U 41 1H5' U 41 -13.239 -10.725 -5.910 438 H5'' U 41 2H5' U 41 -14.840 -11.477 -5.872 439 H4' U 41 H4' U 41 -13.677 -11.727 -3.708 440 H3' U 41 H3' U 41 -16.106 -9.918 -3.692 441 H2' U 41 1H2' U 41 -15.861 -9.963 -1.269 442 HO2' U 41 2HO' U 41 -14.312 -11.318 -0.308 443 H1' U 41 H1' U 41 -13.187 -9.512 -1.331 444 H3 U 41 H3 U 41 -14.776 -5.585 0.089 445 H5 U 41 H5 U 41 -15.306 -5.540 -4.082 446 H6 U 41 H6 U 41 -14.797 -7.881 -4.125 447 H5' U 42 1H5' U 42 -16.387 -12.947 -0.682 448 H5'' U 42 2H5' U 42 -18.054 -13.502 -0.449 449 H4' U 42 H4' U 42 -17.088 -12.686 1.669 450 H3' U 42 H3' U 42 -19.297 -10.980 0.490 451 H2' U 42 1H2' U 42 -19.243 -9.777 2.604 452 HO2' U 42 2HO' U 42 -18.851 -11.720 3.905 453 H1' U 42 H1' U 42 -16.492 -9.607 2.639 454 H3 U 42 H3 U 42 -18.013 -5.439 1.696 455 H5 U 42 H5 U 42 -17.931 -7.497 -1.970 456 H6 U 42 H6 U 42 -17.624 -9.536 -0.766 457 H5' C 43 1H5' C 43 -20.564 -11.599 4.418 458 H5'' C 43 2H5' C 43 -22.236 -12.193 4.382 459 H4' C 43 H4' C 43 -22.138 -10.255 5.830 460 H3' C 43 H3' C 43 -23.445 -9.686 3.156 461 H2' C 43 1H2' C 43 -24.123 -7.583 4.174 462 HO2' C 43 2HO' C 43 -23.701 -7.194 6.365 463 H1' C 43 H1' C 43 -21.645 -7.083 5.190 464 H41 C 43 2H4 C 43 -21.751 -4.300 -0.501 465 H42 C 43 1H4 C 43 -21.365 -5.808 -1.293 466 H5 C 43 H5 C 43 -21.205 -7.933 -0.094 467 H6 C 43 H6 C 43 -21.385 -8.990 2.077 468 H5' C 44 1H5' C 44 -25.950 -8.639 6.423 469 H5'' C 44 2H5' C 44 -27.670 -8.889 6.075 470 H4' C 44 H4' C 44 -27.178 -6.562 6.797 471 H3' C 44 H3' C 44 -28.086 -6.874 3.919 472 H2' C 44 1H2' C 44 -28.330 -4.444 3.994 473 HO2' C 44 2HO' C 44 -29.065 -4.417 6.251 474 H1' C 44 H1' C 44 -25.852 -4.096 5.140 475 H41 C 44 2H4 C 44 -25.001 -3.598 -1.068 476 H42 C 44 1H4 C 44 -24.786 -5.324 -1.221 477 H5 C 44 H5 C 44 -25.148 -6.876 0.650 478 H6 C 44 H6 C 44 -25.741 -7.013 2.996 479 H5' C 45 1H5' C 45 -30.514 -3.998 5.145 480 H5'' C 45 2H5' C 45 -32.210 -4.440 4.866 481 H4' C 45 H4' C 45 -31.756 -2.263 3.858 482 H3' C 45 H3' C 45 -32.084 -4.496 1.825 483 HO3' C 45 H3T C 45 -33.900 -4.128 3.167 484 H2' C 45 1H2' C 45 -32.130 -2.752 0.188 485 HO2' C 45 2HO' C 45 -33.471 -1.301 1.470 486 H1' C 45 H1' C 45 -30.090 -1.287 1.380 487 H41 C 45 2H4 C 45 -27.715 -4.635 -3.478 488 H42 C 45 1H4 C 45 -27.482 -6.027 -2.433 489 H5 C 45 H5 C 45 -28.255 -6.076 -0.104 490 H6 C 45 H6 C 45 -29.371 -4.812 1.630 491 H2 L94 46 H2 L94 46 6.109 -1.404 -2.568 492 H3 L94 46 H3 L94 46 4.614 0.462 -2.899 493 H5 L94 46 H5 L94 46 4.416 1.051 1.405 494 H6 L94 46 H6 L94 46 5.843 -0.841 1.739 495 H111 L94 46 1H11 L94 46 7.964 -3.578 1.153 496 H411 L94 46 4H11 L94 46 2.743 3.419 -2.232 497 H11A L94 46 1H12 L94 46 7.057 -2.293 1.885 498 H41A L94 46 4H12 L94 46 3.299 1.975 -3.002 499 H121 L94 46 1H21 L94 46 7.019 -3.289 -1.993 500 H424 L94 46 4H21 L94 46 3.809 2.914 0.894 501 H131 L94 46 1H31 L94 46 9.260 -3.695 -2.276 502 H434 L94 46 4H31 L94 46 1.627 3.939 -0.746 503 H13A L94 46 1H32 L94 46 9.202 -4.212 -0.575 504 H43A L94 46 4H32 L94 46 1.965 4.259 0.964 505 H141 L94 46 1H41 L94 46 9.587 -1.852 0.147 506 H444 L94 46 4H41 L94 46 1.199 1.849 1.462 507 H14A L94 46 1H42 L94 46 9.626 -1.327 -1.534 508 H44A L94 46 4H42 L94 46 0.759 1.721 -0.241 509 H151 L94 46 1H51 L94 46 11.662 -2.695 -1.951 510 H454 L94 46 4H51 L94 46 -1.308 2.284 0.711 511 H15A L94 46 1H52 L94 46 11.602 -3.315 -0.276 512 H45A L94 46 4H52 L94 46 -0.710 3.900 0.270 513 H161 L94 46 1H61 L94 46 11.843 -0.445 -0.990 514 H464 L94 46 4H61 L94 46 -0.661 2.576 2.929 515 H171 L94 46 1H72 L94 46 13.912 -2.370 -0.086 516 H474 L94 46 4H71 L94 46 -2.771 3.496 2.252 517 H17A L94 46 1H73 L94 46 14.150 -0.619 -0.377 518 H47A L94 46 4H72 L94 46 -1.957 5.036 1.868 519 H17B L94 46 1H71 L94 46 13.760 -1.710 -1.746 520 H47B L94 46 4H73 L94 46 -2.037 4.467 3.568 521 H181 L94 46 1H81 L94 46 12.165 -1.936 1.571 522 H484 L94 46 4H83 L94 46 0.270 4.645 3.800 523 H18A L94 46 1H82 L94 46 10.842 -0.796 1.170 524 H48A L94 46 4H81 L94 46 1.406 3.736 2.748 525 H18B L94 46 1H83 L94 46 12.520 -0.193 1.331 526 H48B L94 46 4H82 L94 46 0.540 5.168 2.105 Start of MODEL 8 1 H5' G 1 1H5' G 1 -26.259 1.672 -7.009 2 H5'' G 1 2H5' G 1 -26.132 1.725 -8.784 3 H4' G 1 H4' G 1 -27.458 3.793 -8.753 4 H3' G 1 H3' G 1 -26.983 4.167 -6.245 5 H2' G 1 1H2' G 1 -27.474 2.070 -5.311 6 HO2' G 1 2HO' G 1 -29.052 3.616 -4.381 7 H1' G 1 H1' G 1 -30.031 1.586 -6.707 8 H8 G 1 H8 G 1 -26.845 -0.071 -7.966 9 H1 G 1 H1 G 1 -29.669 -3.222 -3.155 10 H21 G 1 1H2 G 1 -31.718 -0.369 -2.970 11 H22 G 1 2H2 G 1 -31.253 -1.898 -2.238 12 HO5' G 1 H5T G 1 -22.503 1.995 -9.214 13 H5' G 2 1H5' G 2 -30.513 4.822 -3.684 14 H5'' G 2 2H5' G 2 -29.754 6.213 -2.898 15 H4' G 2 H4' G 2 -29.674 4.711 -1.188 16 H3' G 2 H3' G 2 -27.176 3.783 -2.657 17 H2' G 2 1H2' G 2 -26.830 2.648 -0.512 18 HO2' G 2 2HO' G 2 -28.262 3.038 1.218 19 H1' G 2 H1' G 2 -29.528 1.904 -0.442 20 H8 G 2 H8 G 2 -28.098 1.225 -3.840 21 H1 G 2 H1 G 2 -26.033 -2.856 0.644 22 H21 G 2 1H2 G 2 -27.825 -0.817 2.831 23 H22 G 2 2H2 G 2 -26.831 -2.244 2.636 24 H5' G 3 1H5' G 3 -26.533 5.014 1.383 25 H5'' G 3 2H5' G 3 -24.883 5.548 1.727 26 H4' G 3 H4' G 3 -25.801 3.702 3.215 27 H3' G 3 H3' G 3 -23.260 3.139 1.661 28 H2' G 3 1H2' G 3 -23.106 1.223 3.181 29 HO2' G 3 2HO' G 3 -23.952 2.325 5.059 30 H1' G 3 H1' G 3 -25.736 0.529 2.791 31 H8 G 3 H8 G 3 -24.527 1.639 -0.592 32 H1 G 3 H1 G 3 -22.262 -4.064 1.332 33 H21 G 3 1H2 G 3 -23.407 -3.052 4.456 34 H22 G 3 2H2 G 3 -22.573 -4.280 3.531 35 H5' A 4 1H5' A 4 -22.666 2.702 5.996 36 H5'' A 4 2H5' A 4 -21.074 3.359 6.414 37 H4' A 4 H4' A 4 -21.393 1.097 7.351 38 H3' A 4 H3' A 4 -19.311 1.351 5.167 39 H2' A 4 1H2' A 4 -18.677 -0.924 5.787 40 HO2' A 4 2HO' A 4 -19.069 -0.632 8.089 41 H1' A 4 H1' A 4 -21.243 -1.829 5.773 42 H8 A 4 H8 A 4 -21.015 0.837 3.073 43 H61 A 4 2H6 A 4 -18.548 -3.593 -0.509 44 H62 A 4 1H6 A 4 -19.202 -1.967 -0.489 45 H2 A 4 H2 A 4 -18.718 -5.121 3.656 46 H5' A 5 1H5' A 5 -17.534 -0.517 8.644 47 H5'' A 5 2H5' A 5 -15.901 0.127 8.883 48 H4' A 5 H4' A 5 -15.889 -2.340 8.791 49 H3' A 5 H3' A 5 -14.561 -0.915 6.466 50 H2' A 5 1H2' A 5 -13.746 -3.124 5.834 51 HO2' A 5 2HO' A 5 -13.414 -3.882 8.034 52 H1' A 5 H1' A 5 -16.177 -4.300 6.100 53 H8 A 5 H8 A 5 -16.706 -0.708 4.920 54 H61 A 5 2H6 A 5 -15.526 -2.854 -0.779 55 H62 A 5 1H6 A 5 -16.071 -1.472 0.149 56 H2 A 5 H2 A 5 -14.585 -6.080 2.133 57 H5' G 6 1H5' G 6 -11.770 -3.715 8.198 58 H5'' G 6 2H5' G 6 -10.132 -3.037 8.168 59 H4' G 6 H4' G 6 -10.252 -5.240 7.030 60 H3' G 6 H3' G 6 -9.661 -2.852 5.265 61 H2' G 6 1H2' G 6 -9.182 -4.512 3.535 62 HO2' G 6 2HO' G 6 -8.242 -6.088 5.024 63 H1' G 6 H1' G 6 -11.475 -5.889 3.984 64 H8 G 6 H8 G 6 -12.194 -2.212 4.688 65 H1 G 6 H1 G 6 -11.948 -3.679 -1.564 66 H21 G 6 1H2 G 6 -10.716 -6.740 -0.426 67 H22 G 6 2H2 G 6 -11.130 -5.749 -1.806 68 H5' A 7 1H5' A 7 -6.684 -5.753 4.478 69 H5'' A 7 2H5' A 7 -5.097 -4.981 4.306 70 H4' A 7 H4' A 7 -5.703 -6.349 2.323 71 H3' A 7 H3' A 7 -5.459 -3.357 1.919 72 H2' A 7 1H2' A 7 -5.704 -3.818 -0.449 73 HO2' A 7 2HO' A 7 -5.762 -5.974 -1.195 74 H1' A 7 H1' A 7 -7.815 -5.519 -0.127 75 H8 A 7 H8 A 7 -8.270 -2.874 2.523 76 H61 A 7 2H6 A 7 -10.530 0.730 -2.004 77 H62 A 7 1H6 A 7 -10.329 0.568 -0.271 78 H2 A 7 H2 A 7 -8.626 -2.814 -3.877 79 H5' U 8 1H5' U 8 -3.197 -5.394 -0.964 80 H5'' U 8 2H5' U 8 -1.625 -4.639 -1.281 81 H4' U 8 H4' U 8 -2.996 -4.955 -3.363 82 H3' U 8 H3' U 8 -2.294 -2.150 -2.474 83 H2' U 8 1H2' U 8 -3.381 -1.338 -4.449 84 HO2' U 8 2HO' U 8 -2.402 -3.078 -5.779 85 H1' U 8 H1' U 8 -5.462 -3.212 -4.445 86 H3 U 8 H3 U 8 -7.154 1.005 -4.032 87 H5 U 8 H5 U 8 -5.902 -0.043 -0.163 88 H6 U 8 H6 U 8 -4.865 -2.006 -1.071 89 H5' C 9 1H5' C 9 -1.804 -1.336 -6.146 90 H5'' C 9 2H5' C 9 -0.129 -0.857 -6.490 91 H4' C 9 H4' C 9 -1.690 0.921 -7.181 92 H3' C 9 H3' C 9 0.197 1.400 -4.886 93 H2' C 9 1H2' C 9 -0.680 3.546 -4.535 94 HO2' C 9 2HO' C 9 -0.479 4.188 -6.753 95 H1' C 9 H1' C 9 -3.291 3.065 -5.461 96 H41 C 9 2H4 C 9 -4.136 3.765 0.770 97 H42 C 9 1H4 C 9 -3.495 2.157 1.046 98 H5 C 9 H5 C 9 -2.358 0.858 -0.680 99 H6 C 9 H6 C 9 -1.871 0.726 -3.025 100 H5' U 10 1H5' U 10 0.451 4.707 -8.091 101 H5'' U 10 2H5' U 10 2.197 4.944 -8.293 102 H4' U 10 H4' U 10 1.183 7.119 -8.087 103 H3' U 10 H3' U 10 2.600 6.255 -5.548 104 H2' U 10 1H2' U 10 2.317 8.577 -4.867 105 HO2' U 10 2HO' U 10 2.688 9.435 -7.051 106 H1' U 10 H1' U 10 -0.308 8.663 -5.688 107 H3 U 10 H3 U 10 0.075 8.628 -1.084 108 H5 U 10 H5 U 10 -0.086 4.600 -2.265 109 H6 U 10 H6 U 10 0.140 5.312 -4.554 110 H5' G 11 1H5' G 11 4.233 9.891 -6.249 111 H5'' G 11 2H5' G 11 6.003 9.781 -6.233 112 H4' G 11 H4' G 11 5.275 11.511 -4.668 113 H3' G 11 H3' G 11 6.301 8.994 -3.325 114 H2' G 11 1H2' G 11 6.294 10.346 -1.305 115 HO2' G 11 2HO' G 11 5.809 12.569 -1.430 116 H1' G 11 H1' G 11 3.795 11.374 -1.822 117 H8 G 11 H8 G 11 3.679 7.757 -2.923 118 H1 G 11 H1 G 11 3.635 8.494 3.458 119 H21 G 11 1H2 G 11 4.471 11.798 2.733 120 H22 G 11 2H2 G 11 4.154 10.606 3.977 121 H5' G 12 1H5' G 12 8.550 12.363 -1.919 122 H5'' G 12 2H5' G 12 10.271 11.930 -1.857 123 H4' G 12 H4' G 12 9.595 12.853 0.296 124 H3' G 12 H3' G 12 10.043 9.855 0.330 125 H2' G 12 1H2' G 12 9.869 10.046 2.734 126 HO2' G 12 2HO' G 12 9.659 12.113 3.709 127 H1' G 12 H1' G 12 7.606 11.569 2.633 128 H8 G 12 H8 G 12 7.637 9.066 -0.248 129 H1 G 12 H1 G 12 6.086 6.556 5.449 130 H21 G 12 1H2 G 12 7.115 9.639 6.695 131 H22 G 12 2H2 G 12 6.498 8.044 7.062 132 H5' C 13 1H5' C 13 12.277 11.420 3.481 133 H5'' C 13 2H5' C 13 13.881 10.669 3.554 134 H4' C 13 H4' C 13 12.696 10.477 5.716 135 H3' C 13 H3' C 13 13.059 7.852 4.237 136 H2' C 13 1H2' C 13 12.356 6.845 6.330 137 HO2' C 13 2HO' C 13 12.045 8.151 8.177 138 H1' C 13 H1' C 13 10.282 8.627 6.666 139 H41 C 13 2H4 C 13 7.953 3.409 3.935 140 H42 C 13 1H4 C 13 8.492 3.966 2.368 141 H5 C 13 H5 C 13 9.788 6.023 2.060 142 H6 C 13 H6 C 13 10.850 7.868 3.170 143 H5' C 14 1H5' C 14 14.655 7.625 8.200 144 H5'' C 14 2H5' C 14 16.124 6.637 8.251 145 H4' C 14 H4' C 14 14.415 5.865 9.881 146 H3' C 14 H3' C 14 15.039 3.973 7.595 147 H2' C 14 1H2' C 14 13.712 2.360 8.829 148 HO2' C 14 2HO' C 14 14.519 3.018 10.937 149 H1' C 14 H1' C 14 11.746 4.158 9.478 150 H41 C 14 2H4 C 14 9.607 1.097 4.387 151 H42 C 14 1H4 C 14 10.686 1.974 3.328 152 H5 C 14 H5 C 14 12.344 3.578 4.155 153 H6 C 14 H6 C 14 13.260 4.613 6.153 154 H5' U 15 1H5' U 15 15.520 1.962 11.547 155 H5'' U 15 2H5' U 15 17.000 0.994 11.444 156 H4' U 15 H4' U 15 15.143 -0.367 12.298 157 H3' U 15 H3' U 15 16.113 -1.058 9.513 158 H2' U 15 1H2' U 15 14.693 -3.013 9.683 159 HO2' U 15 2HO' U 15 13.657 -3.506 11.657 160 H1' U 15 H1' U 15 12.568 -1.638 10.744 161 H3 U 15 H3 U 15 11.282 -2.715 6.550 162 H5 U 15 H5 U 15 13.645 0.727 6.149 163 H6 U 15 H6 U 15 14.335 0.477 8.435 164 H5' U 16 1H5' U 16 16.100 -4.620 11.956 165 H5'' U 16 2H5' U 16 17.604 -5.516 11.671 166 H4' U 16 H4' U 16 15.746 -7.030 11.343 167 H3' U 16 H3' U 16 17.082 -6.139 8.777 168 H2' U 16 1H2' U 16 15.706 -7.756 7.642 169 HO2' U 16 2HO' U 16 15.016 -8.661 10.273 170 H1' U 16 H1' U 16 13.416 -7.134 9.027 171 H3 U 16 H3 U 16 12.580 -5.484 4.917 172 H5 U 16 H5 U 16 15.357 -2.817 6.591 173 H6 U 16 H6 U 16 15.628 -4.310 8.436 174 H5' C 17 1H5' C 17 17.027 -10.392 8.663 175 H5'' C 17 2H5' C 17 18.622 -10.983 8.147 176 H4' C 17 H4' C 17 16.903 -11.938 6.706 177 H3' C 17 H3' C 17 18.552 -9.779 5.358 178 H2' C 17 1H2' C 17 17.466 -10.512 3.311 179 HO2' C 17 2HO' C 17 16.083 -12.328 3.348 180 H1' C 17 H1' C 17 14.984 -10.551 4.451 181 H41 C 17 2H4 C 17 15.443 -4.823 1.916 182 H42 C 17 1H4 C 17 16.246 -4.216 3.346 183 H5 C 17 H5 C 17 16.935 -5.685 5.202 184 H6 C 17 H6 C 17 16.963 -7.952 5.997 185 H5' C 18 1H5' C 18 18.590 -13.262 2.876 186 H5'' C 18 2H5' C 18 20.249 -13.548 2.320 187 H4' C 18 H4' C 18 18.763 -13.564 0.406 188 H3' C 18 H3' C 18 20.473 -11.069 0.560 189 H2' C 18 1H2' C 18 19.662 -10.645 -1.700 190 HO2' C 18 2HO' C 18 19.679 -12.890 -2.371 191 H1' C 18 H1' C 18 17.069 -11.149 -1.061 192 H41 C 18 2H4 C 18 17.810 -4.962 -0.046 193 H42 C 18 1H4 C 18 18.296 -5.267 1.604 194 H5 C 18 H5 C 18 18.688 -7.550 2.481 195 H6 C 18 H6 C 18 18.675 -9.884 1.904 196 H5' C 19 1H5' C 19 21.232 -12.941 -3.374 197 H5'' C 19 2H5' C 19 22.977 -12.814 -3.663 198 H4' C 19 H4' C 19 21.742 -11.898 -5.568 199 H3' C 19 H3' C 19 23.165 -9.815 -3.883 200 H2' C 19 1H2' C 19 22.581 -8.273 -5.669 201 HO2' C 19 2HO' C 19 22.920 -9.879 -7.390 202 H1' C 19 H1' C 19 20.001 -9.139 -5.849 203 H41 C 19 2H4 C 19 20.222 -4.232 -1.779 204 H42 C 19 1H4 C 19 20.528 -5.333 -0.457 205 H5 C 19 H5 C 19 20.860 -7.736 -0.766 206 H6 C 19 H6 C 19 21.040 -9.496 -2.411 207 H5' A 20 1H5' A 20 24.257 -8.496 -7.354 208 H5'' A 20 2H5' A 20 25.994 -8.130 -7.450 209 H4' A 20 H4' A 20 24.553 -6.114 -7.810 210 H3' A 20 H3' A 20 26.430 -6.217 -5.453 211 H2' A 20 1H2' A 20 25.715 -4.031 -4.808 212 HO2' A 20 2HO' A 20 24.390 -2.777 -6.200 213 H1' A 20 H1' A 20 23.065 -4.397 -5.257 214 H8 A 20 H8 A 20 23.962 -7.674 -3.758 215 H61 A 20 2H6 A 20 24.130 -4.695 1.702 216 H62 A 20 1H6 A 20 24.059 -6.273 0.938 217 H2 A 20 H2 A 20 24.238 -1.661 -1.555 218 H5' C 21 1H5' C 21 26.922 -2.352 -6.444 219 H5'' C 21 2H5' C 21 28.632 -1.925 -6.401 220 H4' C 21 H4' C 21 26.965 -0.829 -4.752 221 H3' C 21 H3' C 21 29.617 -0.900 -4.613 222 H2' C 21 1H2' C 21 29.701 -3.176 -3.796 223 HO2' C 21 2HO' C 21 31.059 -1.805 -2.473 224 H1' C 21 H1' C 21 27.775 -2.234 -1.654 225 H41 C 21 2H4 C 21 26.892 -8.421 -0.457 226 H42 C 21 1H4 C 21 27.540 -8.877 -2.021 227 H5 C 21 H5 C 21 28.442 -7.195 -3.632 228 H6 C 21 H6 C 21 28.796 -4.906 -4.004 229 H5' A 22 1H5' A 22 30.908 3.243 -3.150 230 H5'' A 22 2H5' A 22 29.956 3.786 -1.754 231 H4' A 22 H4' A 22 29.816 5.504 -3.430 232 H3' A 22 H3' A 22 27.553 4.556 -2.343 233 H2' A 22 1H2' A 22 27.246 2.772 -3.932 234 HO2' A 22 2HO' A 22 25.863 5.017 -4.921 235 H1' A 22 H1' A 22 27.805 4.602 -6.242 236 H8 A 22 H8 A 22 29.112 1.250 -4.731 237 H61 A 22 2H6 A 22 27.762 -1.186 -10.251 238 H62 A 22 1H6 A 22 28.519 -1.499 -8.702 239 H2 A 22 H2 A 22 26.409 3.027 -10.212 240 H5' A 23 1H5' A 23 25.975 7.141 -5.994 241 H5'' A 23 2H5' A 23 24.567 8.086 -5.469 242 H4' A 23 H4' A 23 24.045 6.812 -7.514 243 H3' A 23 H3' A 23 22.640 5.841 -5.020 244 H2' A 23 1H2' A 23 21.545 4.224 -6.387 245 HO2' A 23 2HO' A 23 21.121 5.585 -8.208 246 H1' A 23 H1' A 23 23.705 3.495 -7.843 247 H8 A 23 H8 A 23 23.537 4.205 -3.998 248 H61 A 23 2H6 A 23 23.050 -1.915 -3.542 249 H62 A 23 1H6 A 23 22.853 -0.387 -2.703 250 H2 A 23 H2 A 23 23.962 -0.933 -7.774 251 H5' G 24 1H5' G 24 17.952 4.972 -5.925 252 H5'' G 24 2H5' G 24 19.481 4.382 -5.229 253 H4' G 24 H4' G 24 18.828 3.762 -8.115 254 H3' G 24 H3' G 24 17.712 2.393 -5.656 255 H2' G 24 1H2' G 24 17.757 0.340 -6.967 256 HO2' G 24 2HO' G 24 18.458 0.412 -9.148 257 H1' G 24 H1' G 24 20.375 0.727 -7.701 258 H8 G 24 H8 G 24 19.969 2.373 -4.312 259 H1 G 24 H1 G 24 20.094 -4.040 -4.013 260 H21 G 24 1H2 G 24 19.836 -3.854 -7.489 261 H22 G 24 2H2 G 24 19.957 -4.889 -6.083 262 H5' G 25 1H5' G 25 15.667 0.847 -8.884 263 H5'' G 25 2H5' G 25 13.926 0.735 -8.569 264 H4' G 25 H4' G 25 14.837 -1.438 -9.271 265 H3' G 25 H3' G 25 13.984 -1.312 -6.365 266 H2' G 25 1H2' G 25 14.277 -3.733 -6.412 267 HO2' G 25 2HO' G 25 14.843 -4.768 -8.364 268 H1' G 25 H1' G 25 16.739 -3.561 -7.553 269 H8 G 25 H8 G 25 16.367 -0.491 -5.358 270 H1 G 25 H1 G 25 17.343 -5.918 -2.062 271 H21 G 25 1H2 G 25 16.821 -7.462 -5.142 272 H22 G 25 2H2 G 25 17.154 -7.671 -3.438 273 H5' G 26 1H5' G 26 12.123 -4.669 -8.230 274 H5'' G 26 2H5' G 26 10.424 -4.759 -7.730 275 H4' G 26 H4' G 26 11.502 -6.914 -7.358 276 H3' G 26 H3' G 26 10.925 -5.389 -4.802 277 H2' G 26 1H2' G 26 11.463 -7.507 -3.695 278 HO2' G 26 2HO' G 26 10.568 -8.893 -5.373 279 H1' G 26 H1' G 26 13.787 -7.758 -5.022 280 H8 G 26 H8 G 26 13.142 -4.022 -4.695 281 H1 G 26 H1 G 26 15.017 -6.829 0.765 282 H21 G 26 1H2 G 26 14.452 -9.792 -0.977 283 H22 G 26 2H2 G 26 14.896 -9.050 0.544 284 H5' A 27 1H5' A 27 9.124 -9.366 -4.396 285 H5'' A 27 2H5' A 27 7.455 -9.060 -3.877 286 H4' A 27 H4' A 27 8.422 -10.764 -2.436 287 H3' A 27 H3' A 27 8.099 -8.055 -1.122 288 H2' A 27 1H2' A 27 8.625 -9.192 0.955 289 HO2' A 27 2HO' A 27 8.954 -11.468 0.941 290 H1' A 27 H1' A 27 10.828 -10.415 -0.095 291 H8 A 27 H8 A 27 10.614 -7.170 -1.953 292 H61 A 27 2H6 A 27 13.060 -4.468 3.056 293 H62 A 27 1H6 A 27 12.574 -4.238 1.392 294 H2 A 27 H2 A 27 11.802 -8.570 4.196 295 H5' A 28 1H5' A 28 6.364 -10.656 1.452 296 H5'' A 28 2H5' A 28 4.778 -10.083 2.013 297 H4' A 28 H4' A 28 6.257 -10.564 3.921 298 H3' A 28 H3' A 28 5.711 -7.614 3.483 299 H2' A 28 1H2' A 28 6.710 -7.353 5.700 300 HO2' A 28 2HO' A 28 5.841 -9.377 6.561 301 H1' A 28 H1' A 28 8.878 -8.865 5.039 302 H8 A 28 H8 A 28 7.806 -7.029 1.892 303 H61 A 28 2H6 A 28 10.688 -2.126 4.415 304 H62 A 28 1H6 A 28 9.856 -2.717 2.993 305 H2 A 28 H2 A 28 10.478 -5.329 7.473 306 H5' G 29 1H5' G 29 4.743 -8.215 7.434 307 H5'' G 29 2H5' G 29 3.202 -7.427 7.817 308 H4' G 29 H4' G 29 5.001 -6.672 9.328 309 H3' G 29 H3' G 29 4.020 -4.555 7.390 310 H2' G 29 1H2' G 29 5.285 -3.031 8.806 311 HO2' G 29 2HO' G 29 4.758 -4.115 10.822 312 H1' G 29 H1' G 29 7.467 -4.699 8.908 313 H8 G 29 H8 G 29 6.129 -4.934 5.373 314 H1 G 29 H1 G 29 9.221 0.559 6.592 315 H21 G 29 1H2 G 29 9.135 -0.534 9.903 316 H22 G 29 2H2 G 29 9.632 0.718 8.785 317 H5' G 30 1H5' G 30 3.574 -3.131 11.468 318 H5'' G 30 2H5' G 30 2.072 -2.202 11.604 319 H4' G 30 H4' G 30 4.057 -0.940 12.429 320 H3' G 30 H3' G 30 2.652 0.150 9.978 321 H2' G 30 1H2' G 30 4.086 2.093 10.246 322 HO2' G 30 2HO' G 30 3.986 2.170 12.564 323 H1' G 30 H1' G 30 6.348 0.622 10.761 324 H8 G 30 H8 G 30 4.403 -1.144 8.007 325 H1 G 30 H1 G 30 7.718 4.011 6.082 326 H21 G 30 1H2 G 30 8.097 4.592 9.498 327 H22 G 30 2H2 G 30 8.437 5.139 7.870 328 H5' C 31 1H5' C 31 2.976 3.205 13.217 329 H5'' C 31 2H5' C 31 1.454 4.114 13.242 330 H4' C 31 H4' C 31 3.420 5.621 13.162 331 H3' C 31 H3' C 31 1.637 5.588 10.717 332 H2' C 31 1H2' C 31 2.935 7.480 9.946 333 HO2' C 31 2HO' C 31 3.093 8.497 12.047 334 H1' C 31 H1' C 31 5.357 6.400 10.712 335 H41 C 31 2H4 C 31 4.934 4.864 4.596 336 H42 C 31 1H4 C 31 3.739 3.645 4.964 337 H5 C 31 H5 C 31 2.808 3.329 7.165 338 H6 C 31 H6 C 31 2.859 4.033 9.471 339 H5' C 32 1H5' C 32 1.938 9.770 12.127 340 H5'' C 32 2H5' C 32 0.338 10.503 11.925 341 H4' C 32 H4' C 32 2.024 11.852 10.773 342 H3' C 32 H3' C 32 0.172 10.327 8.921 343 H2' C 32 1H2' C 32 1.181 11.659 7.143 344 HO2' C 32 2HO' C 32 1.348 13.627 8.401 345 H1' C 32 H1' C 32 3.731 11.256 8.039 346 H41 C 32 2H4 C 32 2.644 6.546 3.908 347 H42 C 32 1H4 C 32 1.572 5.746 5.041 348 H5 C 32 H5 C 32 0.987 6.671 7.203 349 H6 C 32 H6 C 32 1.304 8.547 8.691 350 H5' A 33 1H5' A 33 -0.073 14.575 7.801 351 H5'' A 33 2H5' A 33 -1.762 14.916 7.384 352 H4' A 33 H4' A 33 -0.261 15.588 5.560 353 H3' A 33 H3' A 33 -2.005 13.182 4.939 354 H2' A 33 1H2' A 33 -1.207 13.478 2.649 355 HO2' A 33 2HO' A 33 -1.138 15.860 2.804 356 H1' A 33 H1' A 33 1.387 13.639 3.393 357 H8 A 33 H8 A 33 -0.335 11.317 5.867 358 H61 A 33 2H6 A 33 0.065 7.003 1.432 359 H62 A 33 1H6 A 33 -0.286 7.285 3.131 360 H2 A 33 H2 A 33 1.224 10.891 -0.340 361 H5' G 34 1H5' G 34 -2.386 15.217 1.610 362 H5'' G 34 2H5' G 34 -4.084 15.516 1.201 363 H4' G 34 H4' G 34 -2.833 14.411 -0.648 364 H3' G 34 H3' G 34 -5.045 12.806 0.653 365 H2' G 34 1H2' G 34 -4.734 11.267 -1.186 366 HO2' G 34 2HO' G 34 -4.584 13.016 -2.778 367 H1' G 34 H1' G 34 -1.946 11.659 -1.305 368 H8 G 34 H8 G 34 -2.570 10.675 2.217 369 H1 G 34 H1 G 34 -3.667 5.870 -1.915 370 H21 G 34 1H2 G 34 -3.343 8.326 -4.336 371 H22 G 34 2H2 G 34 -3.604 6.628 -3.985 372 H5' G 35 1H5' G 35 -6.261 11.769 -2.668 373 H5'' G 35 2H5' G 35 -7.922 12.350 -2.914 374 H4' G 35 H4' G 35 -7.964 9.983 -3.226 375 H3' G 35 H3' G 35 -9.038 10.725 -0.483 376 H2' G 35 1H2' G 35 -9.908 8.474 -0.504 377 HO2' G 35 2HO' G 35 -10.491 8.610 -2.827 378 H1' G 35 H1' G 35 -7.567 7.443 -1.666 379 H8 G 35 H8 G 35 -5.841 9.279 0.820 380 H1 G 35 H1 G 35 -9.744 5.070 3.695 381 H21 G 35 1H2 G 35 -11.241 4.826 0.561 382 H22 G 35 2H2 G 35 -11.230 4.292 2.229 383 H5' G 36 1H5' G 36 -13.049 12.168 -3.796 384 H5'' G 36 2H5' G 36 -13.710 10.619 -4.335 385 H4' G 36 H4' G 36 -10.797 11.502 -4.389 386 H3' G 36 H3' G 36 -12.983 11.360 -6.326 387 H2' G 36 1H2' G 36 -12.145 9.764 -7.813 388 HO2' G 36 2HO' G 36 -9.986 10.702 -7.829 389 H1' G 36 H1' G 36 -11.003 7.987 -6.051 390 H8 G 36 H8 G 36 -13.103 8.141 -3.491 391 H1 G 36 H1 G 36 -16.936 7.290 -8.568 392 H21 G 36 1H2 G 36 -14.168 8.341 -10.404 393 H22 G 36 2H2 G 36 -15.831 7.792 -10.441 394 H5' A 37 1H5' A 37 -10.711 11.484 -10.763 395 H5'' A 37 2H5' A 37 -10.874 10.350 -9.416 396 H4' A 37 H4' A 37 -8.443 11.018 -11.060 397 H3' A 37 H3' A 37 -9.536 8.519 -9.715 398 H2' A 37 1H2' A 37 -7.342 7.604 -9.945 399 HO2' A 37 2HO' A 37 -7.015 8.428 -12.110 400 H1' A 37 H1' A 37 -6.038 9.999 -9.329 401 H8 A 37 H8 A 37 -8.024 10.305 -6.480 402 H61 A 37 2H6 A 37 -5.836 5.033 -4.063 403 H62 A 37 1H6 A 37 -6.766 6.484 -3.731 404 H2 A 37 H2 A 37 -4.741 5.121 -8.355 405 H5' A 38 1H5' A 38 -12.648 6.531 -11.879 406 H5'' A 38 2H5' A 38 -12.663 6.685 -10.118 407 H4' A 38 H4' A 38 -10.253 5.881 -11.820 408 H3' A 38 H3' A 38 -12.217 4.467 -10.002 409 H2' A 38 1H2' A 38 -10.518 3.007 -9.322 410 HO2' A 38 2HO' A 38 -8.634 2.694 -10.574 411 H1' A 38 H1' A 38 -8.400 4.856 -9.690 412 H8 A 38 H8 A 38 -10.694 6.444 -7.334 413 H61 A 38 2H6 A 38 -8.464 2.715 -2.897 414 H62 A 38 1H6 A 38 -9.407 4.159 -3.209 415 H2 A 38 H2 A 38 -7.246 1.072 -6.832 416 H5' U 39 1H5' U 39 -10.395 1.329 -12.067 417 H5'' U 39 2H5' U 39 -11.595 0.102 -12.508 418 H4' U 39 H4' U 39 -9.750 -0.836 -11.125 419 H3' U 39 H3' U 39 -12.488 -0.760 -9.828 420 H2' U 39 1H2' U 39 -11.546 -2.049 -8.070 421 HO2' U 39 2HO' U 39 -10.435 -3.570 -9.391 422 H1' U 39 H1' U 39 -9.012 -0.819 -8.278 423 H3 U 39 H3 U 39 -10.231 -0.332 -3.956 424 H5 U 39 H5 U 39 -12.654 2.400 -6.030 425 H6 U 39 H6 U 39 -11.821 1.474 -8.102 426 H5' C 40 1H5' C 40 -10.706 -5.004 -10.236 427 H5'' C 40 2H5' C 40 -12.103 -6.036 -10.596 428 H4' C 40 H4' C 40 -10.800 -7.073 -8.824 429 H3' C 40 H3' C 40 -13.429 -5.864 -7.920 430 H2' C 40 1H2' C 40 -12.996 -6.907 -5.785 431 HO2' C 40 2HO' C 40 -12.149 -8.896 -6.541 432 H1' C 40 H1' C 40 -10.359 -6.267 -5.700 433 H41 C 40 2H4 C 40 -12.945 -1.674 -2.311 434 H42 C 40 1H4 C 40 -13.604 -0.891 -3.727 435 H5 C 40 H5 C 40 -13.419 -1.859 -5.987 436 H6 C 40 H6 C 40 -12.574 -3.747 -7.247 437 H5' U 41 1H5' U 41 -12.919 -10.209 -6.927 438 H5'' U 41 2H5' U 41 -14.507 -11.001 -6.885 439 H4' U 41 H4' U 41 -13.209 -11.360 -4.789 440 H3' U 41 H3' U 41 -15.742 -9.716 -4.548 441 H2' U 41 1H2' U 41 -15.391 -9.922 -2.141 442 HO2' U 41 2HO' U 41 -13.721 -11.238 -1.346 443 H1' U 41 H1' U 41 -12.752 -9.295 -2.281 444 H3 U 41 H3 U 41 -14.500 -5.594 -0.493 445 H5 U 41 H5 U 41 -15.268 -5.280 -4.614 446 H6 U 41 H6 U 41 -14.612 -7.573 -4.865 447 H5' U 42 1H5' U 42 -15.700 -12.972 -1.774 448 H5'' U 42 2H5' U 42 -17.320 -13.647 -1.516 449 H4' U 42 H4' U 42 -16.289 -12.938 0.615 450 H3' U 42 H3' U 42 -18.667 -11.308 -0.310 451 H2' U 42 1H2' U 42 -18.580 -10.265 1.888 452 HO2' U 42 2HO' U 42 -17.986 -12.277 2.994 453 H1' U 42 H1' U 42 -15.846 -9.909 1.804 454 H3 U 42 H3 U 42 -17.700 -5.799 1.258 455 H5 U 42 H5 U 42 -17.649 -7.565 -2.558 456 H6 U 42 H6 U 42 -17.151 -9.659 -1.532 457 H5' C 43 1H5' C 43 -19.657 -12.297 3.616 458 H5'' C 43 2H5' C 43 -21.277 -13.017 3.632 459 H4' C 43 H4' C 43 -21.227 -11.176 5.213 460 H3' C 43 H3' C 43 -22.759 -10.549 2.668 461 H2' C 43 1H2' C 43 -23.510 -8.565 3.865 462 HO2' C 43 2HO' C 43 -23.692 -9.587 5.957 463 H1' C 43 H1' C 43 -21.026 -7.941 4.772 464 H41 C 43 2H4 C 43 -21.675 -4.817 -0.707 465 H42 C 43 1H4 C 43 -21.239 -6.242 -1.622 466 H5 C 43 H5 C 43 -20.851 -8.421 -0.581 467 H6 C 43 H6 C 43 -20.818 -9.620 1.523 468 H5' C 44 1H5' C 44 -25.197 -9.939 6.164 469 H5'' C 44 2H5' C 44 -26.904 -10.277 5.827 470 H4' C 44 H4' C 44 -26.517 -7.972 6.711 471 H3' C 44 H3' C 44 -27.555 -8.167 3.868 472 H2' C 44 1H2' C 44 -27.960 -5.770 4.125 473 HO2' C 44 2HO' C 44 -28.566 -5.928 6.417 474 H1' C 44 H1' C 44 -25.449 -5.322 5.159 475 H41 C 44 2H4 C 44 -25.012 -4.380 -1.042 476 H42 C 44 1H4 C 44 -24.685 -6.072 -1.318 477 H5 C 44 H5 C 44 -24.821 -7.758 0.465 478 H6 C 44 H6 C 44 -25.259 -8.082 2.826 479 H5' C 45 1H5' C 45 -30.103 -5.563 5.405 480 H5'' C 45 2H5' C 45 -31.775 -6.110 5.200 481 H4' C 45 H4' C 45 -31.543 -3.846 4.312 482 H3' C 45 H3' C 45 -31.831 -5.965 2.155 483 HO3' C 45 H3T C 45 -33.576 -5.836 3.628 484 H2' C 45 1H2' C 45 -32.111 -4.135 0.649 485 HO2' C 45 2HO' C 45 -32.348 -1.990 1.442 486 H1' C 45 H1' C 45 -30.097 -2.604 1.816 487 H41 C 45 2H4 C 45 -27.817 -5.471 -3.384 488 H42 C 45 1H4 C 45 -27.407 -6.893 -2.441 489 H5 C 45 H5 C 45 -28.016 -7.132 -0.079 490 H6 C 45 H6 C 45 -29.107 -6.061 1.795 491 H2 L94 46 H2 L94 46 5.867 -1.235 -3.868 492 H3 L94 46 H3 L94 46 4.323 0.601 -3.817 493 H5 L94 46 H5 L94 46 5.489 1.461 0.282 494 H6 L94 46 H6 L94 46 7.036 -0.368 0.234 495 H111 L94 46 1H11 L94 46 8.238 -3.650 -2.916 496 H411 L94 46 4H11 L94 46 2.487 3.422 -2.706 497 H11A L94 46 1H12 L94 46 7.161 -2.624 -3.798 498 H41A L94 46 4H12 L94 46 3.110 2.114 -3.651 499 H121 L94 46 1H21 L94 46 8.184 -1.786 0.052 500 H424 L94 46 4H21 L94 46 4.488 3.134 0.021 501 H131 L94 46 1H31 L94 46 9.609 -3.742 -1.656 502 H434 L94 46 4H31 L94 46 2.149 4.357 -1.096 503 H13A L94 46 1H32 L94 46 8.698 -4.353 -0.252 504 H43A L94 46 4H32 L94 46 2.687 4.394 0.591 505 H141 L94 46 1H41 L94 46 10.965 -3.972 0.441 506 H444 L94 46 4H41 L94 46 1.737 2.090 0.944 507 H14A L94 46 1H42 L94 46 9.956 -2.761 1.217 508 H44A L94 46 4H42 L94 46 1.304 2.026 -0.763 509 H151 L94 46 1H51 L94 46 10.772 -1.011 -0.278 510 H454 L94 46 4H51 L94 46 -0.757 2.612 0.178 511 H15A L94 46 1H52 L94 46 11.488 -2.213 -1.391 512 H45A L94 46 4H52 L94 46 -0.115 4.222 -0.223 513 H161 L94 46 1H61 L94 46 13.070 -2.828 0.240 514 H464 L94 46 4H61 L94 46 -0.087 2.854 2.418 515 H171 L94 46 1H72 L94 46 13.293 -1.726 2.386 516 H474 L94 46 4H71 L94 46 -1.464 5.266 1.349 517 H17A L94 46 1H73 L94 46 11.745 -2.620 2.258 518 H47A L94 46 4H72 L94 46 -1.497 4.733 3.067 519 H17B L94 46 1H71 L94 46 11.768 -0.841 2.048 520 H47B L94 46 4H73 L94 46 -2.216 3.704 1.788 521 H181 L94 46 1H81 L94 46 14.345 -0.818 0.426 522 H484 L94 46 4H83 L94 46 1.046 5.473 1.604 523 H18A L94 46 1H82 L94 46 12.862 0.123 0.045 524 H48A L94 46 4H81 L94 46 0.781 4.956 3.303 525 H18B L94 46 1H83 L94 46 13.568 -0.978 -1.184 526 H48B L94 46 4H82 L94 46 1.944 4.067 2.269 Start of MODEL 9 1 H5' G 1 1H5' G 1 -26.183 2.090 -6.886 2 H5'' G 1 2H5' G 1 -26.166 1.828 -8.648 3 H4' G 1 H4' G 1 -27.300 3.980 -8.923 4 H3' G 1 H3' G 1 -26.615 4.745 -6.557 5 H2' G 1 1H2' G 1 -27.221 2.913 -5.227 6 HO2' G 1 2HO' G 1 -28.582 4.743 -4.503 7 H1' G 1 H1' G 1 -29.911 2.449 -6.368 8 H8 G 1 H8 G 1 -26.992 0.283 -7.480 9 H1 G 1 H1 G 1 -29.715 -1.671 -2.020 10 H21 G 1 1H2 G 1 -31.476 1.364 -2.236 11 H22 G 1 2H2 G 1 -31.092 -0.051 -1.265 12 HO5' G 1 H5T G 1 -23.576 3.375 -5.835 13 H5' G 2 1H5' G 2 -29.867 6.188 -3.963 14 H5'' G 2 2H5' G 2 -28.936 7.617 -3.494 15 H4' G 2 H4' G 2 -28.852 6.449 -1.544 16 H3' G 2 H3' G 2 -26.573 5.017 -2.964 17 H2' G 2 1H2' G 2 -26.162 4.258 -0.668 18 HO2' G 2 2HO' G 2 -27.414 5.095 1.036 19 H1' G 2 H1' G 2 -28.897 3.820 -0.299 20 H8 G 2 H8 G 2 -27.817 2.398 -3.598 21 H1 G 2 H1 G 2 -25.770 -1.006 1.421 22 H21 G 2 1H2 G 2 -27.198 1.556 3.301 23 H22 G 2 2H2 G 2 -26.352 0.022 3.311 24 H5' G 3 1H5' G 3 -25.501 6.858 0.729 25 H5'' G 3 2H5' G 3 -23.788 7.282 0.859 26 H4' G 3 H4' G 3 -24.722 5.831 2.721 27 H3' G 3 H3' G 3 -22.397 4.728 1.126 28 H2' G 3 1H2' G 3 -22.278 3.125 2.974 29 HO2' G 3 2HO' G 3 -23.676 3.360 4.758 30 H1' G 3 H1' G 3 -24.987 2.647 2.895 31 H8 G 3 H8 G 3 -23.967 2.997 -0.704 32 H1 G 3 H1 G 3 -22.061 -2.466 2.113 33 H21 G 3 1H2 G 3 -22.854 -0.792 5.057 34 H22 G 3 2H2 G 3 -22.211 -2.247 4.328 35 H5' A 4 1H5' A 4 -21.555 4.950 5.331 36 H5'' A 4 2H5' A 4 -19.907 5.544 5.598 37 H4' A 4 H4' A 4 -20.326 3.513 6.917 38 H3' A 4 H3' A 4 -18.379 3.177 4.621 39 H2' A 4 1H2' A 4 -17.891 1.009 5.621 40 HO2' A 4 2HO' A 4 -18.860 0.431 7.598 41 H1' A 4 H1' A 4 -20.524 0.361 5.903 42 H8 A 4 H8 A 4 -20.232 2.452 2.747 43 H61 A 4 2H6 A 4 -18.407 -2.782 -0.047 44 H62 A 4 1H6 A 4 -18.913 -1.122 -0.300 45 H2 A 4 H2 A 4 -18.445 -3.496 4.339 46 H5' A 5 1H5' A 5 -16.634 1.815 8.277 47 H5'' A 5 2H5' A 5 -14.936 2.320 8.385 48 H4' A 5 H4' A 5 -15.154 -0.103 8.752 49 H3' A 5 H3' A 5 -13.797 0.704 6.167 50 H2' A 5 1H2' A 5 -13.235 -1.658 5.954 51 HO2' A 5 2HO' A 5 -12.885 -2.025 8.246 52 H1' A 5 H1' A 5 -15.759 -2.498 6.499 53 H8 A 5 H8 A 5 -15.949 0.852 4.672 54 H61 A 5 2H6 A 5 -15.328 -2.450 -0.543 55 H62 A 5 1H6 A 5 -15.657 -0.860 0.120 56 H2 A 5 H2 A 5 -14.597 -5.162 2.903 57 H5' G 6 1H5' G 6 -11.247 -1.993 8.378 58 H5'' G 6 2H5' G 6 -9.544 -1.544 8.172 59 H4' G 6 H4' G 6 -9.979 -3.903 7.512 60 H3' G 6 H3' G 6 -9.154 -1.995 5.311 61 H2' G 6 1H2' G 6 -8.983 -3.982 3.907 62 HO2' G 6 2HO' G 6 -8.176 -5.374 5.645 63 H1' G 6 H1' G 6 -11.404 -4.951 4.659 64 H8 G 6 H8 G 6 -11.615 -1.144 4.669 65 H1 G 6 H1 G 6 -11.914 -3.766 -1.185 66 H21 G 6 1H2 G 6 -11.008 -6.701 0.482 67 H22 G 6 2H2 G 6 -11.366 -5.937 -1.052 68 H5' A 7 1H5' A 7 -6.611 -5.391 5.055 69 H5'' A 7 2H5' A 7 -4.951 -4.893 4.667 70 H4' A 7 H4' A 7 -5.887 -6.518 3.020 71 H3' A 7 H3' A 7 -5.213 -3.734 2.043 72 H2' A 7 1H2' A 7 -5.720 -4.545 -0.180 73 HO2' A 7 2HO' A 7 -6.150 -6.756 -0.527 74 H1' A 7 H1' A 7 -8.021 -5.817 0.542 75 H8 A 7 H8 A 7 -7.854 -2.669 2.648 76 H61 A 7 2H6 A 7 -10.056 0.270 -2.370 77 H62 A 7 1H6 A 7 -9.653 0.448 -0.672 78 H2 A 7 H2 A 7 -8.861 -3.825 -3.577 79 H5' U 8 1H5' U 8 -3.508 -6.482 -0.641 80 H5'' U 8 2H5' U 8 -1.862 -6.005 -1.107 81 H4' U 8 H4' U 8 -3.343 -6.296 -3.099 82 H3' U 8 H3' U 8 -2.332 -3.530 -2.445 83 H2' U 8 1H2' U 8 -3.386 -2.748 -4.457 84 HO2' U 8 2HO' U 8 -2.661 -4.659 -5.694 85 H1' U 8 H1' U 8 -5.651 -4.374 -4.220 86 H3 U 8 H3 U 8 -6.864 0.008 -4.162 87 H5 U 8 H5 U 8 -5.519 -0.775 -0.259 88 H6 U 8 H6 U 8 -4.774 -2.936 -0.995 89 H5' C 9 1H5' C 9 -1.856 -2.883 -6.114 90 H5'' C 9 2H5' C 9 -0.206 -2.339 -6.482 91 H4' C 9 H4' C 9 -1.892 -0.617 -7.067 92 H3' C 9 H3' C 9 0.096 -0.013 -4.879 93 H2' C 9 1H2' C 9 -0.892 2.109 -4.570 94 HO2' C 9 2HO' C 9 -0.947 2.662 -6.813 95 H1' C 9 H1' C 9 -3.528 1.403 -5.204 96 H41 C 9 2H4 C 9 -3.430 2.098 1.151 97 H42 C 9 1H4 C 9 -2.623 0.552 1.306 98 H5 C 9 H5 C 9 -1.816 -0.732 -0.591 99 H6 C 9 H6 C 9 -1.708 -0.851 -2.980 100 H5' U 10 1H5' U 10 -0.191 3.156 -8.301 101 H5'' U 10 2H5' U 10 1.496 3.640 -8.541 102 H4' U 10 H4' U 10 0.120 5.635 -8.514 103 H3' U 10 H3' U 10 1.711 5.270 -5.952 104 H2' U 10 1H2' U 10 1.053 7.564 -5.487 105 HO2' U 10 2HO' U 10 1.254 8.256 -7.747 106 H1' U 10 H1' U 10 -1.561 7.136 -6.257 107 H3 U 10 H3 U 10 -1.053 7.737 -1.682 108 H5 U 10 H5 U 10 -0.840 3.604 -2.389 109 H6 U 10 H6 U 10 -0.699 4.053 -4.750 110 H5' G 11 1H5' G 11 2.697 9.071 -6.897 111 H5'' G 11 2H5' G 11 4.466 9.233 -6.911 112 H4' G 11 H4' G 11 3.542 10.898 -5.406 113 H3' G 11 H3' G 11 4.884 8.584 -3.983 114 H2' G 11 1H2' G 11 4.673 9.957 -1.983 115 HO2' G 11 2HO' G 11 5.103 11.999 -3.065 116 H1' G 11 H1' G 11 2.061 10.596 -2.488 117 H8 G 11 H8 G 11 2.490 7.050 -3.698 118 H1 G 11 H1 G 11 2.210 7.561 2.700 119 H21 G 11 1H2 G 11 2.661 10.967 2.099 120 H22 G 11 2H2 G 11 2.478 9.698 3.293 121 H5' G 12 1H5' G 12 6.843 12.113 -2.529 122 H5'' G 12 2H5' G 12 8.583 11.783 -2.464 123 H4' G 12 H4' G 12 7.789 12.534 -0.267 124 H3' G 12 H3' G 12 8.511 9.592 -0.414 125 H2' G 12 1H2' G 12 8.250 9.598 1.991 126 HO2' G 12 2HO' G 12 9.171 11.761 2.285 127 H1' G 12 H1' G 12 5.882 10.946 1.934 128 H8 G 12 H8 G 12 6.071 8.648 -1.090 129 H1 G 12 H1 G 12 4.881 5.615 4.427 130 H21 G 12 1H2 G 12 5.602 8.694 5.877 131 H22 G 12 2H2 G 12 5.151 7.024 6.133 132 H5' C 13 1H5' C 13 10.643 11.250 2.915 133 H5'' C 13 2H5' C 13 12.284 10.577 2.967 134 H4' C 13 H4' C 13 11.045 10.276 5.108 135 H3' C 13 H3' C 13 11.750 7.743 3.601 136 H2' C 13 1H2' C 13 11.041 6.601 5.621 137 HO2' C 13 2HO' C 13 10.533 7.788 7.493 138 H1' C 13 H1' C 13 8.778 8.145 5.917 139 H41 C 13 2H4 C 13 7.074 2.858 2.888 140 H42 C 13 1H4 C 13 7.624 3.527 1.368 141 H5 C 13 H5 C 13 8.737 5.703 1.197 142 H6 C 13 H6 C 13 9.567 7.591 2.425 143 H5' C 14 1H5' C 14 13.200 7.625 7.679 144 H5'' C 14 2H5' C 14 14.760 6.783 7.775 145 H4' C 14 H4' C 14 13.063 5.822 9.323 146 H3' C 14 H3' C 14 13.989 4.045 7.053 147 H2' C 14 1H2' C 14 12.750 2.280 8.166 148 HO2' C 14 2HO' C 14 11.846 2.639 10.226 149 H1' C 14 H1' C 14 10.567 3.849 8.690 150 H41 C 14 2H4 C 14 9.146 0.878 3.301 151 H42 C 14 1H4 C 14 10.216 1.912 2.384 152 H5 C 14 H5 C 14 11.648 3.599 3.421 153 H6 C 14 H6 C 14 12.300 4.599 5.530 154 H5' U 15 1H5' U 15 14.353 1.997 10.938 155 H5'' U 15 2H5' U 15 15.926 1.179 10.987 156 H4' U 15 H4' U 15 14.149 -0.371 11.647 157 H3' U 15 H3' U 15 15.440 -0.926 8.966 158 H2' U 15 1H2' U 15 14.173 -2.981 8.932 159 HO2' U 15 2HO' U 15 13.001 -3.644 10.774 160 H1' U 15 H1' U 15 11.843 -1.840 9.821 161 H3 U 15 H3 U 15 11.043 -2.808 5.467 162 H5 U 15 H5 U 15 13.129 0.832 5.452 163 H6 U 15 H6 U 15 13.632 0.515 7.778 164 H5' U 16 1H5' U 16 15.504 -4.581 11.343 165 H5'' U 16 2H5' U 16 17.098 -5.340 11.158 166 H4' U 16 H4' U 16 15.378 -6.974 10.619 167 H3' U 16 H3' U 16 16.897 -5.916 8.223 168 H2' U 16 1H2' U 16 15.731 -7.571 6.915 169 HO2' U 16 2HO' U 16 15.876 -9.248 8.579 170 H1' U 16 H1' U 16 13.284 -7.120 8.074 171 H3 U 16 H3 U 16 12.817 -5.363 3.950 172 H5 U 16 H5 U 16 15.209 -2.604 6.029 173 H6 U 16 H6 U 16 15.380 -4.165 7.823 174 H5' C 17 1H5' C 17 17.143 -10.231 7.936 175 H5'' C 17 2H5' C 17 18.819 -10.649 7.538 176 H4' C 17 H4' C 17 17.286 -11.662 5.915 177 H3' C 17 H3' C 17 18.949 -9.375 4.819 178 H2' C 17 1H2' C 17 18.104 -10.067 2.645 179 HO2' C 17 2HO' C 17 16.795 -11.939 2.483 180 H1' C 17 H1' C 17 15.528 -10.245 3.507 181 H41 C 17 2H4 C 17 16.021 -4.360 1.369 182 H42 C 17 1H4 C 17 16.620 -3.817 2.918 183 H5 C 17 H5 C 17 17.162 -5.367 4.744 184 H6 C 17 H6 C 17 17.200 -7.680 5.404 185 H5' C 18 1H5' C 18 19.371 -12.733 2.230 186 H5'' C 18 2H5' C 18 21.080 -12.945 1.814 187 H4' C 18 H4' C 18 19.765 -12.915 -0.222 188 H3' C 18 H3' C 18 21.398 -10.401 0.193 189 H2' C 18 1H2' C 18 20.771 -9.859 -2.093 190 HO2' C 18 2HO' C 18 20.905 -12.044 -2.911 191 H1' C 18 H1' C 18 18.148 -10.465 -1.727 192 H41 C 18 2H4 C 18 18.564 -4.324 -0.319 193 H42 C 18 1H4 C 18 18.924 -4.711 1.349 194 H5 C 18 H5 C 18 19.316 -7.024 2.130 195 H6 C 18 H6 C 18 19.438 -9.318 1.430 196 H5' C 19 1H5' C 19 22.554 -12.133 -3.716 197 H5'' C 19 2H5' C 19 24.307 -11.922 -3.899 198 H4' C 19 H4' C 19 23.117 -10.986 -5.834 199 H3' C 19 H3' C 19 24.391 -8.913 -4.020 200 H2' C 19 1H2' C 19 23.798 -7.329 -5.776 201 HO2' C 19 2HO' C 19 24.254 -8.852 -7.538 202 H1' C 19 H1' C 19 21.260 -8.254 -6.053 203 H41 C 19 2H4 C 19 21.185 -3.597 -1.707 204 H42 C 19 1H4 C 19 21.506 -4.757 -0.438 205 H5 C 19 H5 C 19 21.951 -7.124 -0.878 206 H6 C 19 H6 C 19 22.254 -8.769 -2.619 207 H5' A 20 1H5' A 20 25.445 -7.268 -7.203 208 H5'' A 20 2H5' A 20 27.139 -6.739 -7.223 209 H4' A 20 H4' A 20 25.474 -4.851 -7.317 210 H3' A 20 H3' A 20 27.406 -5.017 -5.003 211 H2' A 20 1H2' A 20 26.518 -2.875 -4.250 212 HO2' A 20 2HO' A 20 25.111 -1.711 -5.534 213 H1' A 20 H1' A 20 23.921 -3.589 -4.530 214 H8 A 20 H8 A 20 25.343 -6.861 -3.474 215 H61 A 20 2H6 A 20 25.864 -4.468 2.238 216 H62 A 20 1H6 A 20 25.925 -5.946 1.296 217 H2 A 20 H2 A 20 24.980 -1.147 -0.586 218 H5' C 21 1H5' C 21 29.784 -0.533 -4.926 219 H5'' C 21 2H5' C 21 30.311 -1.974 -4.049 220 H4' C 21 H4' C 21 28.147 0.032 -3.349 221 H3' C 21 H3' C 21 30.670 0.017 -2.541 222 H2' C 21 1H2' C 21 30.788 -2.353 -2.155 223 HO2' C 21 2HO' C 21 31.636 -1.189 -0.304 224 H1' C 21 H1' C 21 28.376 -2.126 -0.374 225 H41 C 21 2H4 C 21 29.354 -8.415 -0.787 226 H42 C 21 1H4 C 21 29.222 -8.357 -2.534 227 H5 C 21 H5 C 21 28.953 -6.231 -3.780 228 H6 C 21 H6 C 21 28.689 -3.879 -3.550 229 H5' A 22 1H5' A 22 31.455 3.789 -0.076 230 H5'' A 22 2H5' A 22 30.141 4.057 1.089 231 H4' A 22 H4' A 22 30.356 6.056 -0.247 232 H3' A 22 H3' A 22 27.936 4.942 0.055 233 H2' A 22 1H2' A 22 28.151 3.418 -1.823 234 HO2' A 22 2HO' A 22 26.893 5.753 -2.756 235 H1' A 22 H1' A 22 29.127 5.653 -3.573 236 H8 A 22 H8 A 22 30.199 2.068 -2.430 237 H61 A 22 2H6 A 22 30.449 0.809 -8.482 238 H62 A 22 1H6 A 22 30.823 0.197 -6.889 239 H2 A 22 H2 A 22 28.804 4.882 -7.960 240 H5' A 23 1H5' A 23 27.234 7.968 -3.517 241 H5'' A 23 2H5' A 23 25.704 8.829 -3.266 242 H4' A 23 H4' A 23 25.796 7.818 -5.513 243 H3' A 23 H3' A 23 23.786 6.596 -3.619 244 H2' A 23 1H2' A 23 23.132 5.138 -5.392 245 HO2' A 23 2HO' A 23 23.202 6.698 -7.107 246 H1' A 23 H1' A 23 25.620 4.495 -6.241 247 H8 A 23 H8 A 23 24.480 4.927 -2.526 248 H61 A 23 2H6 A 23 23.922 -1.200 -2.670 249 H62 A 23 1H6 A 23 23.569 0.261 -1.763 250 H2 A 23 H2 A 23 25.652 0.109 -6.555 251 H5' G 24 1H5' G 24 19.489 5.920 -5.510 252 H5'' G 24 2H5' G 24 20.848 5.234 -4.592 253 H4' G 24 H4' G 24 20.725 4.848 -7.588 254 H3' G 24 H3' G 24 19.178 3.320 -5.482 255 H2' G 24 1H2' G 24 19.427 1.381 -6.936 256 HO2' G 24 2HO' G 24 19.300 2.584 -8.957 257 H1' G 24 H1' G 24 22.140 1.757 -7.157 258 H8 G 24 H8 G 24 21.070 3.143 -3.784 259 H1 G 24 H1 G 24 21.331 -3.274 -3.939 260 H21 G 24 1H2 G 24 21.707 -2.830 -7.379 261 H22 G 24 2H2 G 24 21.576 -3.963 -6.052 262 H5' G 25 1H5' G 25 17.565 1.968 -9.056 263 H5'' G 25 2H5' G 25 15.797 1.909 -8.941 264 H4' G 25 H4' G 25 16.715 -0.276 -9.603 265 H3' G 25 H3' G 25 15.547 -0.218 -6.808 266 H2' G 25 1H2' G 25 15.755 -2.647 -6.931 267 HO2' G 25 2HO' G 25 16.494 -3.622 -8.858 268 H1' G 25 H1' G 25 18.333 -2.521 -7.797 269 H8 G 25 H8 G 25 17.780 0.443 -5.490 270 H1 G 25 H1 G 25 18.292 -5.175 -2.413 271 H21 G 25 1H2 G 25 18.099 -6.540 -5.612 272 H22 G 25 2H2 G 25 18.240 -6.843 -3.896 273 H5' G 26 1H5' G 26 13.785 -3.387 -9.048 274 H5'' G 26 2H5' G 26 12.044 -3.473 -8.714 275 H4' G 26 H4' G 26 13.100 -5.666 -8.404 276 H3' G 26 H3' G 26 12.154 -4.349 -5.844 277 H2' G 26 1H2' G 26 12.601 -6.524 -4.822 278 HO2' G 26 2HO' G 26 11.913 -7.777 -6.711 279 H1' G 26 H1' G 26 15.064 -6.724 -5.925 280 H8 G 26 H8 G 26 14.436 -3.032 -5.321 281 H1 G 26 H1 G 26 15.749 -6.308 0.044 282 H21 G 26 1H2 G 26 15.269 -9.121 -1.959 283 H22 G 26 2H2 G 26 15.602 -8.502 -0.355 284 H5' A 27 1H5' A 27 10.420 -8.311 -6.059 285 H5'' A 27 2H5' A 27 8.693 -8.154 -5.680 286 H4' A 27 H4' A 27 9.679 -9.926 -4.320 287 H3' A 27 H3' A 27 8.936 -7.408 -2.805 288 H2' A 27 1H2' A 27 9.388 -8.707 -0.798 289 HO2' A 27 2HO' A 27 8.534 -10.734 -1.702 290 H1' A 27 H1' A 27 11.760 -9.667 -1.719 291 H8 A 27 H8 A 27 11.453 -6.205 -3.193 292 H61 A 27 2H6 A 27 13.523 -4.111 2.261 293 H62 A 27 1H6 A 27 13.191 -3.689 0.597 294 H2 A 27 H2 A 27 12.366 -8.360 2.780 295 H5' A 28 1H5' A 28 7.219 -10.591 -0.744 296 H5'' A 28 2H5' A 28 5.574 -10.185 -0.216 297 H4' A 28 H4' A 28 6.977 -10.831 1.702 298 H3' A 28 H3' A 28 6.214 -7.900 1.575 299 H2' A 28 1H2' A 28 7.066 -7.800 3.859 300 HO2' A 28 2HO' A 28 7.815 -9.716 4.866 301 H1' A 28 H1' A 28 9.390 -9.052 3.200 302 H8 A 28 H8 A 28 8.373 -7.025 0.158 303 H61 A 28 2H6 A 28 10.636 -2.153 3.274 304 H62 A 28 1H6 A 28 9.989 -2.700 1.743 305 H2 A 28 H2 A 28 10.471 -5.609 6.052 306 H5' G 29 1H5' G 29 5.174 -9.025 5.289 307 H5'' G 29 2H5' G 29 3.544 -8.473 5.725 308 H4' G 29 H4' G 29 5.190 -7.688 7.371 309 H3' G 29 H3' G 29 4.061 -5.496 5.602 310 H2' G 29 1H2' G 29 5.121 -3.990 7.195 311 HO2' G 29 2HO' G 29 4.647 -5.293 9.086 312 H1' G 29 H1' G 29 7.459 -5.421 7.231 313 H8 G 29 H8 G 29 6.290 -5.503 3.631 314 H1 G 29 H1 G 29 8.657 0.186 5.441 315 H21 G 29 1H2 G 29 8.552 -1.181 8.644 316 H22 G 29 2H2 G 29 8.943 0.209 7.656 317 H5' G 30 1H5' G 30 3.300 -4.567 9.778 318 H5'' G 30 2H5' G 30 1.702 -3.813 9.936 319 H4' G 30 H4' G 30 3.512 -2.442 10.966 320 H3' G 30 H3' G 30 2.082 -1.275 8.567 321 H2' G 30 1H2' G 30 3.296 0.769 9.052 322 HO2' G 30 2HO' G 30 4.531 0.938 10.954 323 H1' G 30 H1' G 30 5.692 -0.501 9.480 324 H8 G 30 H8 G 30 3.980 -2.273 6.586 325 H1 G 30 H1 G 30 6.711 3.333 5.051 326 H21 G 30 1H2 G 30 6.995 3.729 8.502 327 H22 G 30 2H2 G 30 7.281 4.419 6.921 328 H5' C 31 1H5' C 31 2.070 1.450 11.917 329 H5'' C 31 2H5' C 31 0.512 2.286 12.048 330 H4' C 31 H4' C 31 2.447 3.861 12.022 331 H3' C 31 H3' C 31 0.523 3.982 9.685 332 H2' C 31 1H2' C 31 1.739 5.950 8.984 333 HO2' C 31 2HO' C 31 1.971 6.840 11.132 334 H1' C 31 H1' C 31 4.227 4.909 9.599 335 H41 C 31 2H4 C 31 3.822 3.953 3.395 336 H42 C 31 1H4 C 31 2.788 2.570 3.653 337 H5 C 31 H5 C 31 1.869 1.996 5.804 338 H6 C 31 H6 C 31 1.875 2.505 8.177 339 H5' C 32 1H5' C 32 0.908 8.069 11.464 340 H5'' C 32 2H5' C 32 -0.718 8.775 11.445 341 H4' C 32 H4' C 32 0.857 10.282 10.329 342 H3' C 32 H3' C 32 -1.111 8.887 8.497 343 H2' C 32 1H2' C 32 -0.276 10.345 6.748 344 HO2' C 32 2HO' C 32 -0.077 12.232 8.120 345 H1' C 32 H1' C 32 2.360 10.008 7.428 346 H41 C 32 2H4 C 32 1.320 5.533 3.042 347 H42 C 32 1H4 C 32 0.299 4.626 4.142 348 H5 C 32 H5 C 32 -0.250 5.386 6.383 349 H6 C 32 H6 C 32 0.051 7.174 7.982 350 H5' A 33 1H5' A 33 -1.588 13.250 7.662 351 H5'' A 33 2H5' A 33 -3.346 13.489 7.638 352 H4' A 33 H4' A 33 -2.447 14.422 5.601 353 H3' A 33 H3' A 33 -3.858 11.772 5.186 354 H2' A 33 1H2' A 33 -3.599 12.168 2.817 355 HO2' A 33 2HO' A 33 -4.019 14.452 2.881 356 H1' A 33 H1' A 33 -0.992 12.910 2.996 357 H8 A 33 H8 A 33 -1.951 10.208 5.562 358 H61 A 33 2H6 A 33 -0.734 6.184 1.028 359 H62 A 33 1H6 A 33 -1.067 6.367 2.743 360 H2 A 33 H2 A 33 -0.597 10.268 -0.705 361 H5' G 34 1H5' G 34 -7.679 12.041 2.126 362 H5'' G 34 2H5' G 34 -6.578 10.828 2.809 363 H4' G 34 H4' G 34 -5.905 12.493 0.345 364 H3' G 34 H3' G 34 -7.208 9.785 0.658 365 H2' G 34 1H2' G 34 -6.064 9.111 -1.363 366 HO2' G 34 2HO' G 34 -6.325 11.053 -2.545 367 H1' G 34 H1' G 34 -3.666 10.241 -0.665 368 H8 G 34 H8 G 34 -4.207 8.967 2.612 369 H1 G 34 H1 G 34 -4.026 4.104 -1.591 370 H21 G 34 1H2 G 34 -4.478 6.579 -3.977 371 H22 G 34 2H2 G 34 -4.230 4.875 -3.645 372 H5' G 35 1H5' G 35 -9.659 7.635 0.465 373 H5'' G 35 2H5' G 35 -8.077 8.177 -0.109 374 H4' G 35 H4' G 35 -9.423 7.741 -2.486 375 H3' G 35 H3' G 35 -10.608 5.966 -0.392 376 H2' G 35 1H2' G 35 -10.177 3.957 -1.606 377 HO2' G 35 2HO' G 35 -9.423 5.695 -3.727 378 H1' G 35 H1' G 35 -7.584 4.419 -2.083 379 H8 G 35 H8 G 35 -6.609 6.231 0.481 380 H1 G 35 H1 G 35 -9.979 1.518 3.240 381 H21 G 35 1H2 G 35 -11.344 1.070 0.069 382 H22 G 35 2H2 G 35 -11.280 0.521 1.728 383 H5' G 36 1H5' G 36 -12.508 10.294 -3.784 384 H5'' G 36 2H5' G 36 -13.118 8.664 -4.092 385 H4' G 36 H4' G 36 -10.174 9.475 -4.149 386 H3' G 36 H3' G 36 -12.333 9.757 -6.081 387 H2' G 36 1H2' G 36 -11.653 8.278 -7.764 388 HO2' G 36 2HO' G 36 -9.425 9.068 -7.687 389 H1' G 36 H1' G 36 -10.603 6.257 -6.245 390 H8 G 36 H8 G 36 -12.396 4.939 -4.486 391 H1 G 36 H1 G 36 -17.116 8.036 -7.541 392 H21 G 36 1H2 G 36 -14.565 10.157 -8.621 393 H22 G 36 2H2 G 36 -16.280 9.792 -8.648 394 H5' A 37 1H5' A 37 -10.309 10.378 -10.486 395 H5'' A 37 2H5' A 37 -10.412 9.145 -9.226 396 H4' A 37 H4' A 37 -7.982 9.983 -10.844 397 H3' A 37 H3' A 37 -9.402 7.394 -10.155 398 H2' A 37 1H2' A 37 -7.374 6.252 -10.590 399 HO2' A 37 2HO' A 37 -6.878 7.349 -12.559 400 H1' A 37 H1' A 37 -5.728 8.334 -9.605 401 H8 A 37 H8 A 37 -7.455 8.236 -6.606 402 H61 A 37 2H6 A 37 -5.595 2.470 -5.367 403 H62 A 37 1H6 A 37 -6.279 3.938 -4.695 404 H2 A 37 H2 A 37 -4.984 3.179 -9.699 405 H5' A 38 1H5' A 38 -11.741 4.785 -13.118 406 H5'' A 38 2H5' A 38 -12.234 4.855 -11.418 407 H4' A 38 H4' A 38 -9.677 3.699 -12.579 408 H3' A 38 H3' A 38 -11.893 2.760 -10.740 409 H2' A 38 1H2' A 38 -10.372 1.250 -9.779 410 HO2' A 38 2HO' A 38 -8.470 0.618 -10.864 411 H1' A 38 H1' A 38 -8.081 2.880 -10.263 412 H8 A 38 H8 A 38 -10.400 4.851 -8.182 413 H61 A 38 2H6 A 38 -8.359 1.597 -3.303 414 H62 A 38 1H6 A 38 -9.249 3.024 -3.804 415 H2 A 38 H2 A 38 -7.143 -0.535 -7.011 416 H5' U 39 1H5' U 39 -10.303 -0.788 -12.248 417 H5'' U 39 2H5' U 39 -11.595 -1.968 -12.525 418 H4' U 39 H4' U 39 -9.880 -2.820 -10.953 419 H3' U 39 H3' U 39 -12.603 -2.285 -9.740 420 H2' U 39 1H2' U 39 -11.782 -3.383 -7.790 421 HO2' U 39 2HO' U 39 -10.809 -5.176 -8.824 422 H1' U 39 H1' U 39 -9.147 -2.417 -8.159 423 H3 U 39 H3 U 39 -10.219 -1.216 -3.967 424 H5 U 39 H5 U 39 -12.470 1.385 -6.377 425 H6 U 39 H6 U 39 -11.780 0.100 -8.306 426 H5' C 40 1H5' C 40 -11.224 -6.700 -9.489 427 H5'' C 40 2H5' C 40 -12.714 -7.649 -9.630 428 H4' C 40 H4' C 40 -11.422 -8.475 -7.742 429 H3' C 40 H3' C 40 -13.905 -6.920 -6.967 430 H2' C 40 1H2' C 40 -13.451 -7.650 -4.709 431 HO2' C 40 2HO' C 40 -12.778 -9.792 -5.190 432 H1' C 40 H1' C 40 -10.777 -7.197 -4.821 433 H41 C 40 2H4 C 40 -12.882 -1.899 -2.218 434 H42 C 40 1H4 C 40 -13.605 -1.348 -3.713 435 H5 C 40 H5 C 40 -13.606 -2.716 -5.762 436 H6 C 40 H6 C 40 -12.939 -4.849 -6.696 437 H5' U 41 1H5' U 41 -13.725 -11.031 -5.234 438 H5'' U 41 2H5' U 41 -15.368 -11.648 -4.996 439 H4' U 41 H4' U 41 -14.015 -11.741 -2.912 440 H3' U 41 H3' U 41 -16.382 -9.850 -2.902 441 H2' U 41 1H2' U 41 -15.930 -9.650 -0.507 442 HO2' U 41 2HO' U 41 -15.314 -11.897 -0.216 443 H1' U 41 H1' U 41 -13.263 -9.293 -0.841 444 H3 U 41 H3 U 41 -14.613 -5.177 0.250 445 H5 U 41 H5 U 41 -15.539 -5.581 -3.832 446 H6 U 41 H6 U 41 -15.081 -7.927 -3.652 447 H5' U 42 1H5' U 42 -16.574 -12.558 0.478 448 H5'' U 42 2H5' U 42 -18.261 -12.949 0.864 449 H4' U 42 H4' U 42 -17.063 -11.955 2.806 450 H3' U 42 H3' U 42 -19.288 -10.291 1.602 451 H2' U 42 1H2' U 42 -19.018 -8.853 3.538 452 HO2' U 42 2HO' U 42 -17.582 -9.462 5.215 453 H1' U 42 H1' U 42 -16.256 -8.828 3.338 454 H3 U 42 H3 U 42 -17.733 -4.721 2.076 455 H5 U 42 H5 U 42 -17.969 -7.152 -1.348 456 H6 U 42 H6 U 42 -17.636 -9.066 0.040 457 H5' C 43 1H5' C 43 -20.110 -10.408 5.668 458 H5'' C 43 2H5' C 43 -21.782 -10.947 5.923 459 H4' C 43 H4' C 43 -21.453 -8.880 7.143 460 H3' C 43 H3' C 43 -23.090 -8.527 4.615 461 H2' C 43 1H2' C 43 -23.573 -6.306 5.485 462 HO2' C 43 2HO' C 43 -22.856 -5.714 7.553 463 H1' C 43 H1' C 43 -20.978 -5.796 6.125 464 H41 C 43 2H4 C 43 -21.685 -3.621 0.218 465 H42 C 43 1H4 C 43 -21.454 -5.223 -0.444 466 H5 C 43 H5 C 43 -21.223 -7.217 0.951 467 H6 C 43 H6 C 43 -21.166 -8.028 3.232 468 H5' C 44 1H5' C 44 -25.113 -7.053 8.040 469 H5'' C 44 2H5' C 44 -26.871 -7.271 7.950 470 H4' C 44 H4' C 44 -26.231 -4.900 8.343 471 H3' C 44 H3' C 44 -27.513 -5.481 5.652 472 H2' C 44 1H2' C 44 -27.684 -3.049 5.489 473 HO2' C 44 2HO' C 44 -28.124 -2.745 7.801 474 H1' C 44 H1' C 44 -25.070 -2.680 6.269 475 H41 C 44 2H4 C 44 -24.996 -2.892 -0.016 476 H42 C 44 1H4 C 44 -24.865 -4.632 0.003 477 H5 C 44 H5 C 44 -25.033 -5.955 2.067 478 H6 C 44 H6 C 44 -25.325 -5.811 4.470 479 H5' C 45 1H5' C 45 -29.699 -2.397 6.852 480 H5'' C 45 2H5' C 45 -31.427 -2.800 6.827 481 H4' C 45 H4' C 45 -31.033 -0.758 5.545 482 H3' C 45 H3' C 45 -31.714 -3.184 3.845 483 HO3' C 45 H3T C 45 -33.800 -2.230 4.008 484 H2' C 45 1H2' C 45 -31.917 -1.630 2.032 485 HO2' C 45 2HO' C 45 -33.028 0.021 3.286 486 H1' C 45 H1' C 45 -29.694 -0.138 2.777 487 H41 C 45 2H4 C 45 -28.100 -4.099 -1.941 488 H42 C 45 1H4 C 45 -27.752 -5.370 -0.784 489 H5 C 45 H5 C 45 -28.194 -5.123 1.620 490 H6 C 45 H6 C 45 -29.029 -3.630 3.327 491 H2 L94 46 H2 L94 46 4.986 -4.288 -2.744 492 H3 L94 46 H3 L94 46 2.883 -3.149 -2.464 493 H5 L94 46 H5 L94 46 5.005 0.577 -1.738 494 H6 L94 46 H6 L94 46 7.091 -0.552 -2.022 495 H111 L94 46 1H11 L94 46 8.515 -4.831 -3.088 496 H411 L94 46 4H11 L94 46 0.491 -0.571 -1.854 497 H11A L94 46 1H12 L94 46 6.843 -5.131 -2.742 498 H41A L94 46 4H12 L94 46 1.247 -2.093 -2.188 499 H121 L94 46 1H21 L94 46 8.610 -1.481 -2.700 500 H424 L94 46 4H21 L94 46 3.399 1.284 -1.433 501 H131 L94 46 1H31 L94 46 10.485 -3.313 -2.895 502 H434 L94 46 4H31 L94 46 0.523 1.150 -0.987 503 H13A L94 46 1H32 L94 46 9.759 -3.839 -1.348 504 H43A L94 46 4H32 L94 46 1.014 1.969 -2.498 505 H141 L94 46 1H41 L94 46 10.112 -1.639 -0.363 506 H444 L94 46 4H41 L94 46 0.986 3.715 -0.860 507 H14A L94 46 1H42 L94 46 10.646 -0.961 -1.903 508 H44A L94 46 4H42 L94 46 2.681 3.306 -1.040 509 H151 L94 46 1H51 L94 46 12.665 -2.396 -1.902 510 H454 L94 46 4H51 L94 46 2.185 3.465 1.371 511 H15A L94 46 1H52 L94 46 12.132 -3.173 -0.385 512 H45A L94 46 4H52 L94 46 2.448 1.744 0.992 513 H161 L94 46 1H61 L94 46 12.596 -0.255 -0.688 514 H464 L94 46 4H61 L94 46 0.059 1.450 0.868 515 H171 L94 46 1H72 L94 46 14.630 -1.500 -1.098 516 H474 L94 46 4H71 L94 46 -0.035 4.349 1.535 517 H17A L94 46 1H73 L94 46 14.386 -2.304 0.491 518 H47A L94 46 4H72 L94 46 -1.446 3.236 1.654 519 H17B L94 46 1H71 L94 46 14.677 -0.538 0.418 520 H47B L94 46 4H73 L94 46 -0.682 3.552 0.069 521 H181 L94 46 1H81 L94 46 11.094 -0.841 1.106 522 H484 L94 46 4H83 L94 46 0.930 2.873 3.320 523 H18A L94 46 1H82 L94 46 12.674 -0.272 1.734 524 H48A L94 46 4H81 L94 46 -0.478 1.767 3.193 525 H18B L94 46 1H83 L94 46 12.306 -2.023 1.694 526 H48B L94 46 4H82 L94 46 1.187 1.129 2.961 Start of MODEL 10 1 H5' G 1 1H5' G 1 -24.269 0.487 -11.489 2 H5'' G 1 2H5' G 1 -23.537 2.065 -11.202 3 H4' G 1 H4' G 1 -25.363 2.682 -12.231 4 H3' G 1 H3' G 1 -25.234 3.564 -9.800 5 H2' G 1 1H2' G 1 -26.255 1.900 -8.511 6 HO2' G 1 2HO' G 1 -27.776 3.735 -8.465 7 H1' G 1 H1' G 1 -28.439 1.192 -10.358 8 H8 G 1 H8 G 1 -25.251 -0.894 -10.258 9 H1 G 1 H1 G 1 -29.585 -2.512 -5.824 10 H21 G 1 1H2 G 1 -31.243 0.392 -6.911 11 H22 G 1 2H2 G 1 -31.171 -0.908 -5.729 12 HO5' G 1 H5T G 1 -22.301 2.456 -8.460 13 H5' G 2 1H5' G 2 -29.150 5.197 -8.476 14 H5'' G 2 2H5' G 2 -28.406 6.681 -7.862 15 H4' G 2 H4' G 2 -28.999 5.690 -5.897 16 H3' G 2 H3' G 2 -26.369 4.225 -6.330 17 H2' G 2 1H2' G 2 -26.751 3.685 -3.965 18 HO2' G 2 2HO' G 2 -28.511 4.621 -2.868 19 H1' G 2 H1' G 2 -29.450 3.184 -4.493 20 H8 G 2 H8 G 2 -27.320 1.526 -7.097 21 H1 G 2 H1 G 2 -27.049 -1.367 -1.390 22 H21 G 2 1H2 G 2 -29.024 1.300 -0.333 23 H22 G 2 2H2 G 2 -28.223 -0.197 0.100 24 H5' G 3 1H5' G 3 -26.617 6.428 -2.685 25 H5'' G 3 2H5' G 3 -25.051 6.922 -2.033 26 H4' G 3 H4' G 3 -26.545 5.611 -0.454 27 H3' G 3 H3' G 3 -23.811 4.468 -1.077 28 H2' G 3 1H2' G 3 -24.302 3.017 0.835 29 HO2' G 3 2HO' G 3 -25.431 4.640 2.094 30 H1' G 3 H1' G 3 -26.824 2.431 -0.085 31 H8 G 3 H8 G 3 -24.681 2.543 -3.172 32 H1 G 3 H1 G 3 -23.770 -2.622 0.555 33 H21 G 3 1H2 G 3 -25.461 -0.742 2.941 34 H22 G 3 2H2 G 3 -24.613 -2.228 2.581 35 H5' A 4 1H5' A 4 -24.318 5.102 3.241 36 H5'' A 4 2H5' A 4 -22.807 5.785 3.871 37 H4' A 4 H4' A 4 -23.537 3.876 5.238 38 H3' A 4 H3' A 4 -21.044 3.397 3.583 39 H2' A 4 1H2' A 4 -20.811 1.356 4.884 40 HO2' A 4 2HO' A 4 -22.262 0.931 6.593 41 H1' A 4 H1' A 4 -23.421 0.639 4.538 42 H8 A 4 H8 A 4 -22.310 2.433 1.378 43 H61 A 4 2H6 A 4 -19.808 -2.991 -0.310 44 H62 A 4 1H6 A 4 -20.241 -1.383 -0.852 45 H2 A 4 H2 A 4 -20.987 -3.283 3.963 46 H5' A 5 1H5' A 5 -20.272 2.429 7.674 47 H5'' A 5 2H5' A 5 -18.680 3.044 8.155 48 H4' A 5 H4' A 5 -18.880 0.660 8.701 49 H3' A 5 H3' A 5 -16.972 1.314 6.443 50 H2' A 5 1H2' A 5 -16.285 -1.014 6.597 51 HO2' A 5 2HO' A 5 -16.461 -1.156 8.934 52 H1' A 5 H1' A 5 -18.829 -1.966 6.643 53 H8 A 5 H8 A 5 -18.724 1.173 4.468 54 H61 A 5 2H6 A 5 -16.799 -2.564 -0.089 55 H62 A 5 1H6 A 5 -17.343 -0.947 0.310 56 H2 A 5 H2 A 5 -16.771 -4.887 3.707 57 H5' G 6 1H5' G 6 -14.871 -0.993 9.457 58 H5'' G 6 2H5' G 6 -13.199 -0.416 9.590 59 H4' G 6 H4' G 6 -13.303 -2.847 9.108 60 H3' G 6 H3' G 6 -12.161 -1.089 6.922 61 H2' G 6 1H2' G 6 -11.537 -3.182 5.835 62 HO2' G 6 2HO' G 6 -11.019 -4.313 7.834 63 H1' G 6 H1' G 6 -13.985 -4.310 6.176 64 H8 G 6 H8 G 6 -14.422 -0.546 5.656 65 H1 G 6 H1 G 6 -13.321 -3.852 0.256 66 H21 G 6 1H2 G 6 -12.649 -6.489 2.446 67 H22 G 6 2H2 G 6 -12.721 -5.945 0.784 68 H5' A 7 1H5' A 7 -9.362 -4.217 7.627 69 H5'' A 7 2H5' A 7 -7.700 -3.608 7.517 70 H4' A 7 H4' A 7 -8.178 -5.484 5.924 71 H3' A 7 H3' A 7 -7.460 -2.772 4.790 72 H2' A 7 1H2' A 7 -7.464 -3.817 2.614 73 HO2' A 7 2HO' A 7 -7.678 -6.082 2.423 74 H1' A 7 H1' A 7 -9.773 -5.237 3.015 75 H8 A 7 H8 A 7 -10.238 -1.845 4.654 76 H61 A 7 2H6 A 7 -11.549 0.223 -1.064 77 H62 A 7 1H6 A 7 -11.552 0.640 0.639 78 H2 A 7 H2 A 7 -9.871 -3.870 -1.418 79 H5' U 8 1H5' U 8 -5.133 -5.684 2.823 80 H5'' U 8 2H5' U 8 -3.467 -5.139 2.543 81 H4' U 8 H4' U 8 -4.665 -5.788 0.425 82 H3' U 8 H3' U 8 -3.751 -2.939 0.816 83 H2' U 8 1H2' U 8 -4.551 -2.439 -1.391 84 HO2' U 8 2HO' U 8 -3.676 -4.489 -2.263 85 H1' U 8 H1' U 8 -6.830 -4.043 -1.244 86 H3 U 8 H3 U 8 -8.045 0.299 -1.821 87 H5 U 8 H5 U 8 -7.174 -0.030 2.278 88 H6 U 8 H6 U 8 -6.345 -2.246 1.884 89 H5' C 9 1H5' C 9 -2.814 -2.778 -2.795 90 H5'' C 9 2H5' C 9 -1.064 -2.571 -3.038 91 H4' C 9 H4' C 9 -2.333 -0.778 -4.167 92 H3' C 9 H3' C 9 -0.530 -0.105 -1.858 93 H2' C 9 1H2' C 9 -1.149 2.166 -1.975 94 HO2' C 9 2HO' C 9 -0.865 2.401 -4.245 95 H1' C 9 H1' C 9 -3.770 1.876 -2.786 96 H41 C 9 2H4 C 9 -3.959 3.247 3.484 97 H42 C 9 1H4 C 9 -3.648 1.560 3.817 98 H5 C 9 H5 C 9 -3.083 -0.069 2.127 99 H6 C 9 H6 C 9 -2.815 -0.456 -0.208 100 H5' U 10 1H5' U 10 0.163 2.398 -5.647 101 H5'' U 10 2H5' U 10 1.911 2.674 -5.769 102 H4' U 10 H4' U 10 0.655 4.776 -6.066 103 H3' U 10 H3' U 10 2.302 4.563 -3.534 104 H2' U 10 1H2' U 10 1.800 6.928 -3.233 105 HO2' U 10 2HO' U 10 1.924 7.421 -5.549 106 H1' U 10 H1' U 10 -0.867 6.617 -3.789 107 H3 U 10 H3 U 10 -0.255 7.267 0.731 108 H5 U 10 H5 U 10 -0.044 3.126 0.100 109 H6 U 10 H6 U 10 0.086 3.532 -2.262 110 H5' G 11 1H5' G 11 3.433 8.263 -5.071 111 H5'' G 11 2H5' G 11 5.203 8.297 -5.210 112 H4' G 11 H4' G 11 4.460 10.245 -3.949 113 H3' G 11 H3' G 11 5.880 8.105 -2.349 114 H2' G 11 1H2' G 11 5.824 9.640 -0.474 115 HO2' G 11 2HO' G 11 6.223 11.559 -1.788 116 H1' G 11 H1' G 11 3.209 10.328 -0.815 117 H8 G 11 H8 G 11 3.315 6.709 -1.828 118 H1 G 11 H1 G 11 3.725 7.535 4.519 119 H21 G 11 1H2 G 11 4.365 10.864 3.725 120 H22 G 11 2H2 G 11 4.219 9.657 4.986 121 H5' G 12 1H5' G 12 7.998 11.647 -1.316 122 H5'' G 12 2H5' G 12 9.737 11.301 -1.396 123 H4' G 12 H4' G 12 9.170 12.118 0.836 124 H3' G 12 H3' G 12 9.807 9.158 0.706 125 H2' G 12 1H2' G 12 9.737 9.210 3.127 126 HO2' G 12 2HO' G 12 10.703 11.377 3.300 127 H1' G 12 H1' G 12 7.392 10.569 3.235 128 H8 G 12 H8 G 12 7.405 8.305 0.168 129 H1 G 12 H1 G 12 6.351 5.218 5.686 130 H21 G 12 1H2 G 12 7.211 8.263 7.147 131 H22 G 12 2H2 G 12 6.722 6.602 7.403 132 H5' C 13 1H5' C 13 12.130 10.699 3.869 133 H5'' C 13 2H5' C 13 13.759 10.003 3.824 134 H4' C 13 H4' C 13 12.615 9.657 6.013 135 H3' C 13 H3' C 13 13.212 7.161 4.396 136 H2' C 13 1H2' C 13 12.591 5.968 6.417 137 HO2' C 13 2HO' C 13 13.601 7.464 7.899 138 H1' C 13 H1' C 13 10.394 7.557 6.906 139 H41 C 13 2H4 C 13 8.313 2.376 3.935 140 H42 C 13 1H4 C 13 8.803 3.034 2.392 141 H5 C 13 H5 C 13 9.974 5.175 2.170 142 H6 C 13 H6 C 13 10.938 7.028 3.360 143 H5' C 14 1H5' C 14 14.984 6.923 8.432 144 H5'' C 14 2H5' C 14 16.530 6.061 8.330 145 H4' C 14 H4' C 14 14.997 5.052 10.013 146 H3' C 14 H3' C 14 15.660 3.375 7.578 147 H2' C 14 1H2' C 14 14.512 1.573 8.716 148 HO2' C 14 2HO' C 14 15.371 2.109 10.840 149 H1' C 14 H1' C 14 12.442 3.136 9.611 150 H41 C 14 2H4 C 14 10.270 0.416 4.327 151 H42 C 14 1H4 C 14 11.278 1.435 3.321 152 H5 C 14 H5 C 14 12.886 3.029 4.233 153 H6 C 14 H6 C 14 13.813 3.944 6.279 154 H5' U 15 1H5' U 15 16.571 1.106 11.342 155 H5'' U 15 2H5' U 15 18.121 0.288 11.070 156 H4' U 15 H4' U 15 16.447 -1.313 11.884 157 H3' U 15 H3' U 15 17.290 -1.650 8.998 158 H2' U 15 1H2' U 15 16.022 -3.714 9.026 159 HO2' U 15 2HO' U 15 15.145 -4.491 10.984 160 H1' U 15 H1' U 15 13.868 -2.625 10.325 161 H3 U 15 H3 U 15 12.400 -3.284 6.112 162 H5 U 15 H5 U 15 14.593 0.290 5.969 163 H6 U 15 H6 U 15 15.405 -0.166 8.184 164 H5' U 16 1H5' U 16 17.712 -5.484 10.970 165 H5'' U 16 2H5' U 16 19.264 -6.192 10.486 166 H4' U 16 H4' U 16 17.521 -7.813 10.039 167 H3' U 16 H3' U 16 18.590 -6.474 7.545 168 H2' U 16 1H2' U 16 17.278 -8.073 6.301 169 HO2' U 16 2HO' U 16 17.728 -9.867 7.783 170 H1' U 16 H1' U 16 15.042 -7.784 7.868 171 H3 U 16 H3 U 16 13.980 -5.724 3.994 172 H5 U 16 H5 U 16 16.541 -3.048 5.978 173 H6 U 16 H6 U 16 16.987 -4.742 7.601 174 H5' C 17 1H5' C 17 18.905 -10.691 6.779 175 H5'' C 17 2H5' C 17 20.489 -11.006 6.047 176 H4' C 17 H4' C 17 18.692 -11.891 4.624 177 H3' C 17 H3' C 17 20.114 -9.467 3.494 178 H2' C 17 1H2' C 17 18.911 -9.983 1.439 179 HO2' C 17 2HO' C 17 17.616 -11.861 1.330 180 H1' C 17 H1' C 17 16.532 -10.303 2.722 181 H41 C 17 2H4 C 17 16.644 -4.259 1.008 182 H42 C 17 1H4 C 17 17.456 -3.826 2.492 183 H5 C 17 H5 C 17 18.273 -5.505 4.094 184 H6 C 17 H6 C 17 18.439 -7.861 4.550 185 H5' C 18 1H5' C 18 20.109 -12.575 0.551 186 H5'' C 18 2H5' C 18 21.724 -12.691 -0.177 187 H4' C 18 H4' C 18 20.058 -12.538 -1.938 188 H3' C 18 H3' C 18 21.678 -10.003 -1.604 189 H2' C 18 1H2' C 18 20.652 -9.327 -3.706 190 HO2' C 18 2HO' C 18 20.685 -11.448 -4.688 191 H1' C 18 H1' C 18 18.147 -10.040 -2.922 192 H41 C 18 2H4 C 18 18.768 -4.010 -1.145 193 H42 C 18 1H4 C 18 19.411 -4.510 0.403 194 H5 C 18 H5 C 18 19.945 -6.866 0.924 195 H6 C 18 H6 C 18 19.965 -9.100 0.038 196 H5' C 19 1H5' C 19 22.131 -11.330 -5.792 197 H5'' C 19 2H5' C 19 23.836 -11.093 -6.223 198 H4' C 19 H4' C 19 22.394 -10.000 -7.870 199 H3' C 19 H3' C 19 23.918 -8.096 -6.070 200 H2' C 19 1H2' C 19 23.115 -6.359 -7.569 201 HO2' C 19 2HO' C 19 23.331 -7.709 -9.514 202 H1' C 19 H1' C 19 20.551 -7.294 -7.627 203 H41 C 19 2H4 C 19 21.013 -2.968 -2.968 204 H42 C 19 1H4 C 19 21.471 -4.216 -1.832 205 H5 C 19 H5 C 19 21.860 -6.547 -2.499 206 H6 C 19 H6 C 19 21.931 -8.060 -4.379 207 H5' A 20 1H5' A 20 24.643 -6.302 -9.430 208 H5'' A 20 2H5' A 20 26.355 -5.871 -9.628 209 H4' A 20 H4' A 20 24.850 -3.877 -9.584 210 H3' A 20 H3' A 20 26.934 -4.231 -7.439 211 H2' A 20 1H2' A 20 26.246 -2.173 -6.437 212 HO2' A 20 2HO' A 20 24.778 -0.784 -7.515 213 H1' A 20 H1' A 20 23.572 -2.562 -6.686 214 H8 A 20 H8 A 20 24.664 -5.983 -5.750 215 H61 A 20 2H6 A 20 25.300 -3.776 0.033 216 H62 A 20 1H6 A 20 25.176 -5.236 -0.930 217 H2 A 20 H2 A 20 25.061 -0.324 -2.766 218 H5' C 21 1H5' C 21 27.280 -0.257 -7.938 219 H5'' C 21 2H5' C 21 28.981 0.203 -7.991 220 H4' C 21 H4' C 21 27.458 1.020 -6.058 221 H3' C 21 H3' C 21 30.114 1.007 -6.175 222 H2' C 21 1H2' C 21 30.310 -1.359 -5.693 223 HO2' C 21 2HO' C 21 31.765 -0.143 -4.323 224 H1' C 21 H1' C 21 28.584 -0.780 -3.273 225 H41 C 21 2H4 C 21 27.898 -7.093 -2.891 226 H42 C 21 1H4 C 21 28.400 -7.308 -4.557 227 H5 C 21 H5 C 21 29.132 -5.396 -5.983 228 H6 C 21 H6 C 21 29.420 -3.068 -6.057 229 H5' A 22 1H5' A 22 31.468 4.946 -4.256 230 H5'' A 22 2H5' A 22 30.637 5.259 -2.716 231 H4' A 22 H4' A 22 30.315 7.191 -4.120 232 H3' A 22 H3' A 22 28.180 6.034 -2.973 233 H2' A 22 1H2' A 22 27.758 4.478 -4.758 234 HO2' A 22 2HO' A 22 26.238 6.791 -5.282 235 H1' A 22 H1' A 22 28.054 6.625 -6.830 236 H8 A 22 H8 A 22 29.566 3.135 -5.941 237 H61 A 22 2H6 A 22 27.718 1.457 -11.600 238 H62 A 22 1H6 A 22 28.620 0.951 -10.185 239 H2 A 22 H2 A 22 26.316 5.583 -10.835 240 H5' A 23 1H5' A 23 26.222 9.048 -6.072 241 H5'' A 23 2H5' A 23 24.850 9.864 -5.295 242 H4' A 23 H4' A 23 24.167 8.869 -7.434 243 H3' A 23 H3' A 23 23.017 7.524 -4.985 244 H2' A 23 1H2' A 23 21.827 6.080 -6.460 245 HO2' A 23 2HO' A 23 21.212 7.668 -8.031 246 H1' A 23 H1' A 23 23.852 5.621 -8.194 247 H8 A 23 H8 A 23 24.030 5.787 -4.287 248 H61 A 23 2H6 A 23 23.673 -0.348 -4.655 249 H62 A 23 1H6 A 23 23.525 1.048 -3.601 250 H2 A 23 H2 A 23 24.185 1.238 -8.776 251 H5' G 24 1H5' G 24 18.276 6.643 -5.592 252 H5'' G 24 2H5' G 24 19.871 6.012 -5.120 253 H4' G 24 H4' G 24 18.976 5.773 -7.997 254 H3' G 24 H3' G 24 18.101 4.051 -5.672 255 H2' G 24 1H2' G 24 18.062 2.201 -7.261 256 HO2' G 24 2HO' G 24 17.359 3.496 -9.103 257 H1' G 24 H1' G 24 20.605 2.755 -8.141 258 H8 G 24 H8 G 24 20.482 3.907 -4.537 259 H1 G 24 H1 G 24 20.717 -2.482 -5.140 260 H21 G 24 1H2 G 24 20.134 -1.833 -8.516 261 H22 G 24 2H2 G 24 20.401 -3.046 -7.282 262 H5' G 25 1H5' G 25 15.706 2.887 -8.878 263 H5'' G 25 2H5' G 25 14.020 2.709 -8.357 264 H4' G 25 H4' G 25 14.845 0.658 -9.445 265 H3' G 25 H3' G 25 14.330 0.392 -6.471 266 H2' G 25 1H2' G 25 14.601 -2.001 -6.880 267 HO2' G 25 2HO' G 25 14.935 -2.754 -9.006 268 H1' G 25 H1' G 25 16.920 -1.651 -8.257 269 H8 G 25 H8 G 25 16.794 1.091 -5.639 270 H1 G 25 H1 G 25 18.155 -4.705 -3.228 271 H21 G 25 1H2 G 25 17.326 -5.833 -6.424 272 H22 G 25 2H2 G 25 17.845 -6.260 -4.806 273 H5' G 26 1H5' G 26 12.246 -2.635 -8.615 274 H5'' G 26 2H5' G 26 10.627 -2.894 -7.938 275 H4' G 26 H4' G 26 11.878 -5.012 -8.105 276 H3' G 26 H3' G 26 11.335 -4.036 -5.289 277 H2' G 26 1H2' G 26 12.181 -6.223 -4.592 278 HO2' G 26 2HO' G 26 11.239 -7.373 -6.439 279 H1' G 26 H1' G 26 14.385 -6.087 -6.156 280 H8 G 26 H8 G 26 13.672 -2.523 -5.116 281 H1 G 26 H1 G 26 16.121 -6.100 -0.382 282 H21 G 26 1H2 G 26 15.378 -8.780 -2.488 283 H22 G 26 2H2 G 26 15.981 -8.265 -0.925 284 H5' A 27 1H5' A 27 9.981 -8.151 -5.526 285 H5'' A 27 2H5' A 27 8.348 -8.184 -4.838 286 H4' A 27 H4' A 27 9.682 -9.932 -3.803 287 H3' A 27 H3' A 27 9.118 -7.565 -1.994 288 H2' A 27 1H2' A 27 10.003 -8.977 -0.210 289 HO2' A 27 2HO' A 27 9.115 -10.990 -1.116 290 H1' A 27 H1' A 27 12.215 -9.662 -1.628 291 H8 A 27 H8 A 27 11.372 -6.166 -2.777 292 H61 A 27 2H6 A 27 14.230 -4.198 2.364 293 H62 A 27 1H6 A 27 13.564 -3.710 0.819 294 H2 A 27 H2 A 27 13.503 -8.547 2.786 295 H5' A 28 1H5' A 28 8.015 -10.896 0.235 296 H5'' A 28 2H5' A 28 6.415 -10.619 0.948 297 H4' A 28 H4' A 28 7.985 -11.213 2.710 298 H3' A 28 H3' A 28 7.220 -8.279 2.699 299 H2' A 28 1H2' A 28 8.282 -8.222 4.894 300 HO2' A 28 2HO' A 28 9.121 -10.158 5.788 301 H1' A 28 H1' A 28 10.540 -9.449 3.972 302 H8 A 28 H8 A 28 9.237 -7.401 1.079 303 H61 A 28 2H6 A 28 11.737 -2.554 4.048 304 H62 A 28 1H6 A 28 10.947 -3.084 2.576 305 H2 A 28 H2 A 28 11.860 -6.053 6.773 306 H5' G 29 1H5' G 29 6.392 -9.454 6.499 307 H5'' G 29 2H5' G 29 4.771 -8.921 6.999 308 H4' G 29 H4' G 29 6.458 -8.149 8.610 309 H3' G 29 H3' G 29 5.255 -5.948 6.902 310 H2' G 29 1H2' G 29 6.391 -4.437 8.431 311 HO2' G 29 2HO' G 29 6.001 -5.712 10.355 312 H1' G 29 H1' G 29 8.731 -5.858 8.380 313 H8 G 29 H8 G 29 7.321 -5.959 4.853 314 H1 G 29 H1 G 29 9.983 -0.333 6.445 315 H21 G 29 1H2 G 29 10.058 -1.675 9.659 316 H22 G 29 2H2 G 29 10.417 -0.302 8.636 317 H5' G 30 1H5' G 30 4.687 -4.948 11.077 318 H5'' G 30 2H5' G 30 3.116 -4.155 11.291 319 H4' G 30 H4' G 30 5.030 -2.812 12.183 320 H3' G 30 H3' G 30 3.458 -1.638 9.873 321 H2' G 30 1H2' G 30 4.766 0.375 10.233 322 HO2' G 30 2HO' G 30 4.760 0.281 12.551 323 H1' G 30 H1' G 30 7.146 -0.955 10.562 324 H8 G 30 H8 G 30 5.226 -2.668 7.757 325 H1 G 30 H1 G 30 8.019 2.871 6.094 326 H21 G 30 1H2 G 30 8.576 3.205 9.517 327 H22 G 30 2H2 G 30 8.780 3.902 7.925 328 H5' C 31 1H5' C 31 3.707 1.089 13.337 329 H5'' C 31 2H5' C 31 2.212 2.033 13.487 330 H4' C 31 H4' C 31 4.340 3.415 13.387 331 H3' C 31 H3' C 31 2.177 3.795 11.308 332 H2' C 31 1H2' C 31 3.483 5.615 10.439 333 HO2' C 31 2HO' C 31 4.008 6.525 12.504 334 H1' C 31 H1' C 31 5.947 4.387 10.846 335 H41 C 31 2H4 C 31 4.997 3.754 4.658 336 H42 C 31 1H4 C 31 3.900 2.422 4.937 337 H5 C 31 H5 C 31 3.140 1.781 7.133 338 H6 C 31 H6 C 31 3.354 2.187 9.520 339 H5' C 32 1H5' C 32 3.145 7.839 13.303 340 H5'' C 32 2H5' C 32 1.585 8.671 13.440 341 H4' C 32 H4' C 32 3.185 10.123 12.303 342 H3' C 32 H3' C 32 1.026 9.014 10.493 343 H2' C 32 1H2' C 32 1.904 10.539 8.813 344 HO2' C 32 2HO' C 32 2.372 12.269 10.327 345 H1' C 32 H1' C 32 4.504 9.863 9.259 346 H41 C 32 2H4 C 32 2.661 5.618 4.909 347 H42 C 32 1H4 C 32 1.697 4.771 6.103 348 H5 C 32 H5 C 32 1.389 5.542 8.360 349 H6 C 32 H6 C 32 1.979 7.260 9.942 350 H5' A 33 1H5' A 33 0.952 13.262 9.795 351 H5'' A 33 2H5' A 33 -0.741 13.752 9.586 352 H4' A 33 H4' A 33 0.595 14.374 7.625 353 H3' A 33 H3' A 33 -1.394 12.145 7.119 354 H2' A 33 1H2' A 33 -0.816 12.473 4.762 355 HO2' A 33 2HO' A 33 -0.509 14.831 4.994 356 H1' A 33 H1' A 33 1.840 12.356 5.228 357 H8 A 33 H8 A 33 0.184 10.154 7.847 358 H61 A 33 2H6 A 33 -0.288 5.872 3.422 359 H62 A 33 1H6 A 33 -0.447 6.200 5.140 360 H2 A 33 H2 A 33 0.969 9.675 1.499 361 H5' G 34 1H5' G 34 -1.917 14.406 3.967 362 H5'' G 34 2H5' G 34 -3.616 14.789 3.644 363 H4' G 34 H4' G 34 -2.414 13.674 1.724 364 H3' G 34 H3' G 34 -4.811 12.271 2.944 365 H2' G 34 1H2' G 34 -4.607 10.716 1.121 366 HO2' G 34 2HO' G 34 -4.320 12.339 -0.507 367 H1' G 34 H1' G 34 -1.794 10.816 1.019 368 H8 G 34 H8 G 34 -2.573 10.022 4.570 369 H1 G 34 H1 G 34 -3.774 5.095 0.622 370 H21 G 34 1H2 G 34 -3.351 7.419 -1.904 371 H22 G 34 2H2 G 34 -3.657 5.745 -1.469 372 H5' G 35 1H5' G 35 -8.440 11.759 -0.402 373 H5'' G 35 2H5' G 35 -7.898 10.974 1.099 374 H4' G 35 H4' G 35 -6.731 10.297 -1.626 375 H3' G 35 H3' G 35 -9.337 9.625 -0.514 376 H2' G 35 1H2' G 35 -9.054 7.333 -0.002 377 HO2' G 35 2HO' G 35 -8.150 6.903 -2.153 378 H1' G 35 H1' G 35 -6.483 7.236 0.752 379 H8 G 35 H8 G 35 -5.795 8.662 3.119 380 H1 G 35 H1 G 35 -12.081 9.614 3.977 381 H21 G 35 1H2 G 35 -12.353 8.733 0.620 382 H22 G 35 2H2 G 35 -13.184 9.222 2.081 383 H5' G 36 1H5' G 36 -11.532 10.616 -4.942 384 H5'' G 36 2H5' G 36 -11.511 9.253 -3.804 385 H4' G 36 H4' G 36 -10.668 8.877 -6.671 386 H3' G 36 H3' G 36 -13.129 9.925 -6.328 387 H2' G 36 1H2' G 36 -13.526 8.536 -4.390 388 HO2' G 36 2HO' G 36 -15.289 7.188 -5.050 389 H1' G 36 H1' G 36 -12.866 6.176 -6.168 390 H8 G 36 H8 G 36 -11.828 7.061 -2.489 391 H1 G 36 H1 G 36 -15.262 1.702 -3.275 392 H21 G 36 1H2 G 36 -15.380 2.659 -6.623 393 H22 G 36 2H2 G 36 -15.848 1.480 -5.419 394 H5' A 37 1H5' A 37 -11.119 6.138 -10.428 395 H5'' A 37 2H5' A 37 -11.616 6.304 -8.737 396 H4' A 37 H4' A 37 -9.557 8.265 -9.655 397 H3' A 37 H3' A 37 -9.050 5.300 -9.455 398 H2' A 37 1H2' A 37 -6.843 5.851 -8.720 399 HO2' A 37 2HO' A 37 -6.489 7.489 -10.325 400 H1' A 37 H1' A 37 -7.789 8.224 -7.402 401 H8 A 37 H8 A 37 -9.129 7.573 -4.937 402 H61 A 37 2H6 A 37 -5.967 2.794 -2.658 403 H62 A 37 1H6 A 37 -7.099 4.084 -2.296 404 H2 A 37 H2 A 37 -5.027 3.076 -6.972 405 H5' A 38 1H5' A 38 -10.384 3.014 -12.258 406 H5'' A 38 2H5' A 38 -10.262 4.265 -11.014 407 H4' A 38 H4' A 38 -8.071 2.191 -11.235 408 H3' A 38 H3' A 38 -10.818 1.760 -10.005 409 H2' A 38 1H2' A 38 -9.752 0.450 -8.367 410 HO2' A 38 2HO' A 38 -7.660 -0.382 -8.681 411 H1' A 38 H1' A 38 -7.353 1.969 -8.396 412 H8 A 38 H8 A 38 -10.171 4.299 -7.613 413 H61 A 38 2H6 A 38 -9.881 2.109 -1.813 414 H62 A 38 1H6 A 38 -10.551 3.368 -2.831 415 H2 A 38 H2 A 38 -7.521 -0.587 -4.442 416 H5' U 39 1H5' U 39 -8.966 -1.986 -10.501 417 H5'' U 39 2H5' U 39 -10.136 -3.262 -10.887 418 H4' U 39 H4' U 39 -8.788 -3.772 -8.854 419 H3' U 39 H3' U 39 -11.740 -3.275 -8.374 420 H2' U 39 1H2' U 39 -11.337 -4.088 -6.169 421 HO2' U 39 2HO' U 39 -10.038 -5.897 -6.744 422 H1' U 39 H1' U 39 -8.770 -2.918 -6.048 423 H3 U 39 H3 U 39 -11.080 -1.392 -2.490 424 H5 U 39 H5 U 39 -12.608 0.783 -5.741 425 H6 U 39 H6 U 39 -11.338 -0.641 -7.223 426 H5' C 40 1H5' C 40 -10.345 -7.523 -7.213 427 H5'' C 40 2H5' C 40 -11.716 -8.568 -7.633 428 H4' C 40 H4' C 40 -10.963 -9.134 -5.398 429 H3' C 40 H3' C 40 -13.582 -7.607 -5.461 430 H2' C 40 1H2' C 40 -13.733 -8.143 -3.102 431 HO2' C 40 2HO' C 40 -12.261 -9.564 -2.152 432 H1' C 40 H1' C 40 -11.146 -7.528 -2.563 433 H41 C 40 2H4 C 40 -14.034 -2.141 -1.199 434 H42 C 40 1H4 C 40 -14.251 -1.739 -2.884 435 H5 C 40 H5 C 40 -13.630 -3.280 -4.708 436 H6 C 40 H6 C 40 -12.691 -5.460 -5.198 437 H5' U 41 1H5' U 41 -13.762 -11.418 -3.305 438 H5'' U 41 2H5' U 41 -15.367 -12.158 -3.439 439 H4' U 41 H4' U 41 -14.658 -11.952 -1.083 440 H3' U 41 H3' U 41 -16.984 -10.195 -1.909 441 H2' U 41 1H2' U 41 -17.208 -9.744 0.485 442 HO2' U 41 2HO' U 41 -16.656 -11.914 1.173 443 H1' U 41 H1' U 41 -14.564 -9.300 0.852 444 H3 U 41 H3 U 41 -16.224 -5.163 1.120 445 H5 U 41 H5 U 41 -16.029 -5.991 -2.998 446 H6 U 41 H6 U 41 -15.582 -8.285 -2.469 447 H5' U 42 1H5' U 42 -18.031 -12.604 1.550 448 H5'' U 42 2H5' U 42 -19.753 -13.031 1.503 449 H4' U 42 H4' U 42 -19.158 -11.826 3.594 450 H3' U 42 H3' U 42 -20.975 -10.354 1.669 451 H2' U 42 1H2' U 42 -21.283 -8.761 3.469 452 HO2' U 42 2HO' U 42 -20.371 -9.182 5.529 453 H1' U 42 H1' U 42 -18.576 -8.652 4.050 454 H3 U 42 H3 U 42 -19.663 -4.706 2.091 455 H5 U 42 H5 U 42 -19.005 -7.415 -1.057 456 H6 U 42 H6 U 42 -19.029 -9.198 0.531 457 H5' C 43 1H5' C 43 -22.946 -10.127 5.293 458 H5'' C 43 2H5' C 43 -24.613 -10.703 5.096 459 H4' C 43 H4' C 43 -24.682 -8.517 6.131 460 H3' C 43 H3' C 43 -25.485 -8.473 3.204 461 H2' C 43 1H2' C 43 -26.210 -6.190 3.662 462 HO2' C 43 2HO' C 43 -27.000 -6.622 5.823 463 H1' C 43 H1' C 43 -23.939 -5.536 5.001 464 H41 C 43 2H4 C 43 -22.840 -3.932 -1.028 465 H42 C 43 1H4 C 43 -22.428 -5.580 -1.441 466 H5 C 43 H5 C 43 -22.629 -7.432 0.141 467 H6 C 43 H6 C 43 -23.248 -8.032 2.404 468 H5' C 44 1H5' C 44 -28.557 -6.761 5.681 469 H5'' C 44 2H5' C 44 -30.169 -7.056 5.008 470 H4' C 44 H4' C 44 -29.693 -4.633 5.360 471 H3' C 44 H3' C 44 -30.027 -5.520 2.477 472 H2' C 44 1H2' C 44 -30.147 -3.120 2.022 473 HO2' C 44 2HO' C 44 -31.316 -2.619 4.029 474 H1' C 44 H1' C 44 -27.932 -2.584 3.566 475 H41 C 44 2H4 C 44 -25.858 -3.348 -2.318 476 H42 C 44 1H4 C 44 -25.703 -5.069 -2.087 477 H5 C 44 H5 C 44 -26.506 -6.210 -0.064 478 H6 C 44 H6 C 44 -27.556 -5.870 2.096 479 H5' C 45 1H5' C 45 -32.490 -2.436 2.577 480 H5'' C 45 2H5' C 45 -34.119 -2.897 2.053 481 H4' C 45 H4' C 45 -33.352 -0.988 0.741 482 H3' C 45 H3' C 45 -33.396 -3.591 -0.827 483 HO3' C 45 H3T C 45 -35.419 -2.933 0.007 484 H2' C 45 1H2' C 45 -33.021 -2.219 -2.753 485 HO2' C 45 2HO' C 45 -34.507 -0.518 -2.074 486 H1' C 45 H1' C 45 -31.182 -0.567 -1.480 487 H41 C 45 2H4 C 45 -28.059 -4.851 -4.990 488 H42 C 45 1H4 C 45 -28.106 -6.002 -3.667 489 H5 C 45 H5 C 45 -29.329 -5.568 -1.580 490 H6 C 45 H6 C 45 -30.701 -3.968 -0.395 491 H2 L94 46 H2 L94 46 6.160 -1.449 -1.344 492 H3 L94 46 H3 L94 46 3.924 -0.638 -0.961 493 H5 L94 46 H5 L94 46 3.306 -3.752 2.006 494 H6 L94 46 H6 L94 46 5.536 -4.553 1.636 495 H111 L94 46 1H11 L94 46 7.272 -5.091 1.278 496 H411 L94 46 4H11 L94 46 0.337 -2.085 1.724 497 H11A L94 46 1H12 L94 46 8.825 -4.834 0.564 498 H41A L94 46 4H12 L94 46 1.719 -2.803 2.490 499 H121 L94 46 1H21 L94 46 7.858 -2.274 -1.589 500 H424 L94 46 4H21 L94 46 1.965 -0.280 -0.692 501 H131 L94 46 1H31 L94 46 9.936 -3.285 -2.098 502 H434 L94 46 4H31 L94 46 -0.322 -0.374 1.054 503 H13A L94 46 1H32 L94 46 9.914 -4.164 -0.555 504 H43A L94 46 4H32 L94 46 0.167 0.953 -0.034 505 H141 L94 46 1H41 L94 46 10.173 -2.035 0.682 506 H444 L94 46 4H41 L94 46 1.800 1.739 1.615 507 H14A L94 46 1H42 L94 46 10.129 -1.118 -0.824 508 H44A L94 46 4H42 L94 46 1.443 0.375 2.680 509 H151 L94 46 1H51 L94 46 12.214 -2.222 -1.612 510 H454 L94 46 4H51 L94 46 -0.971 1.175 2.836 511 H15A L94 46 1H52 L94 46 12.269 -3.219 -0.131 512 H45A L94 46 4H52 L94 46 -0.494 2.637 1.929 513 H161 L94 46 1H61 L94 46 12.310 -0.247 -0.172 514 H464 L94 46 4H61 L94 46 0.604 1.723 4.529 515 H171 L94 46 1H72 L94 46 14.646 -0.382 0.281 516 H474 L94 46 4H71 L94 46 -1.629 2.598 4.663 517 H17A L94 46 1H73 L94 46 14.254 -1.189 -1.273 518 H47A L94 46 4H72 L94 46 -1.092 4.037 3.740 519 H17B L94 46 1H71 L94 46 14.540 -2.169 0.204 520 H47B L94 46 4H73 L94 46 -0.443 3.729 5.385 521 H181 L94 46 1H81 L94 46 12.874 -2.248 1.964 522 H484 L94 46 4H83 L94 46 1.217 4.145 2.909 523 H18A L94 46 1H82 L94 46 11.453 -1.157 1.886 524 H48A L94 46 4H81 L94 46 1.838 3.788 4.553 525 H18B L94 46 1H83 L94 46 13.095 -0.476 2.116 526 H48B L94 46 4H82 L94 46 2.320 2.762 3.170