data_c17791_2lg3 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c17791_2lg3 _Entry.Title ; Structure of the duplex containing HNE derived (6S,8R,11S) gamma-HO-PdG when placed opposite dT ; _Entry.Version_type original _Entry.Submission_date 2011-07-19 _Entry.Accession_date 2011-07-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.31 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'X-RAY DIFFRACTION' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hai Huang . . . c17791_2lg3 2 Hao Wang . . . c17791_2lg3 3 Albena Kozekova . . . c17791_2lg3 4 R. LLoyd . S. . c17791_2lg3 5 Carmelo Rizzo . J. . c17791_2lg3 6 Michael Stone . P. . c17791_2lg3 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c17791_2lg3 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID trans-4-hydroxynonenal . c17791_2lg3 HNE-dG . c17791_2lg3 gamma-HO-PdG . c17791_2lg3 HNE . c17791_2lg3 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c17791_2lg3 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 137 c17791_2lg3 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-30 2011-07-19 original author . c17791_2lg3 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17786 (5'S)-8,5'-cyclo-2'-deoxyguanosine c17791_2lg3 BMRB 17787 (5'S)-8,5'-cyclo-2'-deoxyadenosine c17791_2lg3 BMRB 17788 "gamma-hydroxy-1,N2-propano-2'-deoxyguanosine adduct" c17791_2lg3 BMRB 17789 (5'S)-8,5'-cyclo-2'-deoxyadenosine c17791_2lg3 BMRB 17790 '(6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct' c17791_2lg3 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c17791_2lg3 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title "Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex" _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hai Huang . . . c17791_2lg3 1 2 Hao Wang . . . c17791_2lg3 1 3 Albena Kozekova . . . c17791_2lg3 1 4 R. LLoyd . S. . c17791_2lg3 1 5 Carmelo Rizzo . J. . c17791_2lg3 1 6 Michael Stone . P. . c17791_2lg3 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c17791_2lg3 _Assembly.ID 1 _Assembly.Name '(6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') 1 $DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') A . yes native no no . . . c17791_2lg3 1 2 DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') 2 $DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') B . yes native no no . . . c17791_2lg3 1 3 HNE 3 $HNE C . yes native no no . . . c17791_2lg3 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') _Entity.Sf_category entity _Entity.Sf_framecode DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') _Entity.Entry_ID c17791_2lg3 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCTAGCGAGTCC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3663.422 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DG . c17791_2lg3 1 2 . DC . c17791_2lg3 1 3 . DT . c17791_2lg3 1 4 . DA . c17791_2lg3 1 5 . DG . c17791_2lg3 1 6 . DC . c17791_2lg3 1 7 . DG . c17791_2lg3 1 8 . DA . c17791_2lg3 1 9 . DG . c17791_2lg3 1 10 . DT . c17791_2lg3 1 11 . DC . c17791_2lg3 1 12 . DC . c17791_2lg3 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DG 1 1 c17791_2lg3 1 . DC 2 2 c17791_2lg3 1 . DT 3 3 c17791_2lg3 1 . DA 4 4 c17791_2lg3 1 . DG 5 5 c17791_2lg3 1 . DC 6 6 c17791_2lg3 1 . DG 7 7 c17791_2lg3 1 . DA 8 8 c17791_2lg3 1 . DG 9 9 c17791_2lg3 1 . DT 10 10 c17791_2lg3 1 . DC 11 11 c17791_2lg3 1 . DC 12 12 c17791_2lg3 1 stop_ save_ save_DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') _Entity.Sf_category entity _Entity.Sf_framecode DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') _Entity.Entry_ID c17791_2lg3 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GGACTTGCTAGC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3678.433 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DG . c17791_2lg3 2 2 . DG . c17791_2lg3 2 3 . DA . c17791_2lg3 2 4 . DC . c17791_2lg3 2 5 . DT . c17791_2lg3 2 6 . DT . c17791_2lg3 2 7 . DG . c17791_2lg3 2 8 . DC . c17791_2lg3 2 9 . DT . c17791_2lg3 2 10 . DA . c17791_2lg3 2 11 . DG . c17791_2lg3 2 12 . DC . c17791_2lg3 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DG 1 1 c17791_2lg3 2 . DG 2 2 c17791_2lg3 2 . DA 3 3 c17791_2lg3 2 . DC 4 4 c17791_2lg3 2 . DT 5 5 c17791_2lg3 2 . DT 6 6 c17791_2lg3 2 . DG 7 7 c17791_2lg3 2 . DC 8 8 c17791_2lg3 2 . DT 9 9 c17791_2lg3 2 . DA 10 10 c17791_2lg3 2 . DG 11 11 c17791_2lg3 2 . DC 12 12 c17791_2lg3 2 stop_ save_ save_HNE _Entity.Sf_category entity _Entity.Sf_framecode HNE _Entity.Entry_ID c17791_2lg3 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name HNE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HNE _Entity.Nonpolymer_comp_label $chem_comp_HNE _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HNE . c17791_2lg3 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c17791_2lg3 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17791_2lg3 1 2 2 $DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17791_2lg3 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c17791_2lg3 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17791_2lg3 1 2 2 $DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17791_2lg3 1 3 3 $HNE . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17791_2lg3 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HNE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HNE _Chem_comp.Entry_ID c17791_2lg3 _Chem_comp.ID HNE _Chem_comp.Provenance . _Chem_comp.Name (2E,4R)-4-HYDROXYNON-2-ENAL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code HNE _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date 2006-08-22 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HNE _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H16 O2' _Chem_comp.Formula_weight 156.222 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2J3K _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 4 15:36:21 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=C/C=C/C(O)CCCCC SMILES ACDLabs 10.04 c17791_2lg3 HNE CCCCC[C@@H](O)/C=C/C=O SMILES_CANONICAL CACTVS 3.341 c17791_2lg3 HNE CCCCC[CH](O)C=CC=O SMILES CACTVS 3.341 c17791_2lg3 HNE CCCCC[C@H](C=CC=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c17791_2lg3 HNE CCCCCC(C=CC=O)O SMILES 'OpenEye OEToolkits' 1.5.0 c17791_2lg3 HNE InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1 InChI InChI 1.03 c17791_2lg3 HNE JVJFIQYAHPMBBX-VPIOIWJLSA-N InChIKey InChI 1.03 c17791_2lg3 HNE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2E,4R)-4-hydroxynon-2-enal 'SYSTEMATIC NAME' ACDLabs 10.04 c17791_2lg3 HNE (4R)-4-hydroxynon-2-enal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c17791_2lg3 HNE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 34.322 . 4.418 . 79.122 . 1.586 2.364 -0.270 1 . c17791_2lg3 HNE C2 . C2 . . C . . N 0 . . . . no no . . . . 35.519 . 4.751 . 80.036 . 2.099 0.988 -0.128 2 . c17791_2lg3 HNE C3 . C3 . . C . . N 0 . . . . no no . . . . 36.748 . 4.468 . 79.647 . 1.238 -0.006 0.122 3 . c17791_2lg3 HNE C4 . C4 . . C . . R 0 . . . . no no . . . . 37.917 . 4.407 . 80.651 . 1.661 -1.439 0.283 4 . c17791_2lg3 HNE C5 . C5 . . C . . N 0 . . . . no no . . . . 39.104 . 3.655 . 80.016 . 1.225 -2.038 1.627 5 . c17791_2lg3 HNE C6 . C6 . . C . . N 0 . . . . no no . . . . 39.898 . 2.914 . 81.107 . 1.768 -1.267 2.834 6 . c17791_2lg3 HNE C7 . C7 . . C . . N 0 . . . . no no . . . . 39.596 . 1.404 . 81.065 . 1.308 -1.843 4.177 7 . c17791_2lg3 HNE C8 . C8 . . C . . N 0 . . . . no no . . . . 40.383 . 0.696 . 82.183 . 1.834 -1.063 5.383 8 . c17791_2lg3 HNE C9 . C9 . . C . . N 0 . . . . no no . . . . 41.403 . -0.277 . 81.565 . 1.412 -1.714 6.691 9 . c17791_2lg3 HNE O10 . O10 . . O . . N 0 . . . . no no . . . . 38.315 . 5.715 . 80.995 . 1.047 -2.210 -0.751 10 . c17791_2lg3 HNE O11 . O11 . . O . . N 0 . . . . no no . . . . 33.189 . 4.451 . 79.547 . 2.328 3.312 -0.498 11 . c17791_2lg3 HNE H2 . H2 . . H . . N 0 . . . . no no . . . . 35.348 . 5.227 . 81.016 . 3.166 0.826 -0.229 12 . c17791_2lg3 HNE H3 . H3 . . H . . N 0 . . . . no no . . . . 36.944 . 4.271 . 78.580 . 0.175 0.203 0.216 13 . c17791_2lg3 HNE H4 . H4 . . H . . N 0 . . . . no no . . . . 37.587 . 3.868 . 81.570 . 2.746 -1.552 0.171 14 . c17791_2lg3 HNE H5C1 . H5C1 . . H . . N 0 . . . . no no . . . . 39.753 . 4.331 . 79.412 . 1.566 -3.080 1.674 15 . c17791_2lg3 HNE H5C2 . H5C2 . . H . . N 0 . . . . no no . . . . 38.777 . 2.971 . 79.198 . 0.129 -2.086 1.665 16 . c17791_2lg3 HNE H10 . H10 . . H . . N 0 . . . . no no . . . . 39.035 . 5.677 . 81.614 . 1.769 -2.616 -1.254 17 . c17791_2lg3 HNE H6C1 . H6C1 . . H . . N 0 . . . . no no . . . . 39.713 . 3.345 . 82.118 . 2.865 -1.294 2.809 18 . c17791_2lg3 HNE H6C2 . H6C2 . . H . . N 0 . . . . no no . . . . 40.992 . 3.120 . 81.035 . 1.475 -0.212 2.775 19 . c17791_2lg3 HNE H7C1 . H7C1 . . H . . N 0 . . . . no no . . . . 39.796 . 0.961 . 80.062 . 0.213 -1.879 4.207 20 . c17791_2lg3 HNE H7C2 . H7C2 . . H . . N 0 . . . . no no . . . . 38.503 . 1.190 . 81.117 . 1.660 -2.880 4.242 21 . c17791_2lg3 HNE H8C1 . H8C1 . . H . . N 0 . . . . no no . . . . 39.710 . 0.190 . 82.914 . 1.457 -0.035 5.366 22 . c17791_2lg3 HNE H8C2 . H8C2 . . H . . N 0 . . . . no no . . . . 40.864 . 1.420 . 82.881 . 2.928 -1.010 5.344 23 . c17791_2lg3 HNE H9C1 . H9C1 . . H . . N 0 . . . . no no . . . . 41.973 . -0.790 . 82.375 . 0.322 -1.756 6.774 24 . c17791_2lg3 HNE H9C2 . H9C2 . . H . . N 0 . . . . no no . . . . 42.076 . 0.229 . 80.834 . 1.803 -2.734 6.766 25 . c17791_2lg3 HNE H9C3 . H9C3 . . H . . N 0 . . . . no no . . . . 40.922 . -1.001 . 80.867 . 1.796 -1.140 7.540 26 . c17791_2lg3 HNE H1 . H1 . . H . . N 0 . . . . no no . . . . 34.497 . 4.152 . 78.090 . 0.497 2.494 -0.160 27 . c17791_2lg3 HNE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . c17791_2lg3 HNE 2 . DOUB C1 O11 no N 2 . c17791_2lg3 HNE 3 . SING C1 H1 no N 3 . c17791_2lg3 HNE 4 . DOUB C2 C3 no N 4 . c17791_2lg3 HNE 5 . SING C2 H2 no N 5 . c17791_2lg3 HNE 6 . SING C3 C4 no N 6 . c17791_2lg3 HNE 7 . SING C3 H3 no N 7 . c17791_2lg3 HNE 8 . SING C4 C5 no N 8 . c17791_2lg3 HNE 9 . SING C4 O10 no N 9 . c17791_2lg3 HNE 10 . SING C4 H4 no N 10 . c17791_2lg3 HNE 11 . SING C5 C6 no N 11 . c17791_2lg3 HNE 12 . SING C5 H5C1 no N 12 . c17791_2lg3 HNE 13 . SING C5 H5C2 no N 13 . c17791_2lg3 HNE 14 . SING C6 C7 no N 14 . c17791_2lg3 HNE 15 . SING C6 H6C1 no N 15 . c17791_2lg3 HNE 16 . SING C6 H6C2 no N 16 . c17791_2lg3 HNE 17 . SING C7 C8 no N 17 . c17791_2lg3 HNE 18 . SING C7 H7C1 no N 18 . c17791_2lg3 HNE 19 . SING C7 H7C2 no N 19 . c17791_2lg3 HNE 20 . SING C8 C9 no N 20 . c17791_2lg3 HNE 21 . SING C8 H8C1 no N 21 . c17791_2lg3 HNE 22 . SING C8 H8C2 no N 22 . c17791_2lg3 HNE 23 . SING C9 H9C1 no N 23 . c17791_2lg3 HNE 24 . SING C9 H9C2 no N 24 . c17791_2lg3 HNE 25 . SING C9 H9C3 no N 25 . c17791_2lg3 HNE 26 . SING O10 H10 no N 26 . c17791_2lg3 HNE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c17791_2lg3 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') 'natural abundance' . . 1 $DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') . . 1 . . mM . . . . c17791_2lg3 1 2 DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') 'natural abundance' . . 2 $DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') . . 1 . . mM . . . . c17791_2lg3 1 3 HNE 'natural abundance' . . 3 $HNE . . 1 . . mM . . . . c17791_2lg3 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . c17791_2lg3 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c17791_2lg3 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K c17791_2lg3 1 pH 7.0 . pH c17791_2lg3 1 pressure 1 . atm c17791_2lg3 1 'ionic strength' 100 . mM c17791_2lg3 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID c17791_2lg3 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . c17791_2lg3 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c17791_2lg3 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c17791_2lg3 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c17791_2lg3 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . c17791_2lg3 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c17791_2lg3 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.X_ray_instrument_ID _Experiment.X_ray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17791_2lg3 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c17791_2lg3 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . c17791_2lg3 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c17791_2lg3 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . c17791_2lg3 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DG H1' H 1 6.052 . . . . . . . 1 DG H1' . c17791_2lg3 1 2 . 1 1 1 1 DG H2' H 1 2.711 . . . . . . . 1 DG H2' . c17791_2lg3 1 3 . 1 1 1 1 DG H2'' H 1 2.830 . . 2 . . . . 1 DG H2'' . c17791_2lg3 1 4 . 1 1 1 1 DG H3' H 1 4.886 . . . . . . . 1 DG H3' . c17791_2lg3 1 5 . 1 1 1 1 DG H8 H 1 8.020 . . 1 . . . . 1 DG H8 . c17791_2lg3 1 6 . 1 1 2 2 DC H1' H 1 6.102 . . . . . . . 2 DC H1' . c17791_2lg3 1 7 . 1 1 2 2 DC H2' H 1 2.165 . . . . . . . 2 DC H2' . c17791_2lg3 1 8 . 1 1 2 2 DC H2'' H 1 2.554 . . 2 . . . . 2 DC H2'' . c17791_2lg3 1 9 . 1 1 2 2 DC H3' H 1 4.867 . . . . . . . 2 DC H3' . c17791_2lg3 1 10 . 1 1 2 2 DC H5 H 1 5.433 . . 1 . . . . 2 DC H5 . c17791_2lg3 1 11 . 1 1 2 2 DC H6 H 1 7.574 . . 1 . . . . 2 DC H6 . c17791_2lg3 1 12 . 1 1 3 3 DT H1' H 1 5.593 . . . . . . . 3 DT H1' . c17791_2lg3 1 13 . 1 1 3 3 DT H2' H 1 2.158 . . . . . . . 3 DT H2' . c17791_2lg3 1 14 . 1 1 3 3 DT H2'' H 1 2.435 . . 2 . . . . 3 DT H2'' . c17791_2lg3 1 15 . 1 1 3 3 DT H3' H 1 4.897 . . . . . . . 3 DT H3' . c17791_2lg3 1 16 . 1 1 3 3 DT H6 H 1 7.441 . . 1 . . . . 3 DT H6 . c17791_2lg3 1 17 . 1 1 3 3 DT H71 H 1 1.713 . . 1 . . . . 3 DT H7 . c17791_2lg3 1 18 . 1 1 3 3 DT H72 H 1 1.713 . . 1 . . . . 3 DT H7 . c17791_2lg3 1 19 . 1 1 3 3 DT H71 H 1 1.713 . . 1 . . . . 3 DT H7 . c17791_2lg3 1 20 . 1 1 3 3 DT H72 H 1 1.713 . . 1 . . . . 3 DT H7 . c17791_2lg3 1 21 . 1 1 3 3 DT H73 H 1 1.713 . . 1 . . . . 3 DT H7 . c17791_2lg3 1 22 . 1 1 4 4 DA H1' H 1 6.083 . . . . . . . 4 DA H1' . c17791_2lg3 1 23 . 1 1 4 4 DA H3' H 1 5.091 . . . . . . . 4 DA H3' . c17791_2lg3 1 24 . 1 1 4 4 DA H8 H 1 8.256 . . 1 . . . . 4 DA H8 . c17791_2lg3 1 25 . 1 1 5 5 DG H1' H 1 5.676 . . . . . . . 5 DG H1' . c17791_2lg3 1 26 . 1 1 5 5 DG H2' H 1 2.525 . . . . . . . 5 DG H2' . c17791_2lg3 1 27 . 1 1 5 5 DG H2'' H 1 2.588 . . 2 . . . . 5 DG H2'' . c17791_2lg3 1 28 . 1 1 5 5 DG H3' H 1 4.990 . . . . . . . 5 DG H3' . c17791_2lg3 1 29 . 1 1 5 5 DG H8 H 1 7.727 . . 1 . . . . 5 DG H8 . c17791_2lg3 1 30 . 1 1 6 6 DC H1' H 1 5.892 . . . . . . . 6 DC H1' . c17791_2lg3 1 31 . 1 1 6 6 DC H2' H 1 1.840 . . . . . . . 6 DC H2' . c17791_2lg3 1 32 . 1 1 6 6 DC H2'' H 1 2.206 . . 2 . . . . 6 DC H2'' . c17791_2lg3 1 33 . 1 1 6 6 DC H5 H 1 5.345 . . 1 . . . . 6 DC H5 . c17791_2lg3 1 34 . 1 1 6 6 DC H6 H 1 7.269 . . 1 . . . . 6 DC H6 . c17791_2lg3 1 35 . 1 1 7 7 DG H1' H 1 5.478 . . . . . . . 7 DG H1' . c17791_2lg3 1 36 . 1 1 7 7 DG H2' H 1 2.430 . . . . . . . 7 DG H2' . c17791_2lg3 1 37 . 1 1 7 7 DG H2'' H 1 2.569 . . 2 . . . . 7 DG H2'' . c17791_2lg3 1 38 . 1 1 7 7 DG H3' H 1 4.940 . . . . . . . 7 DG H3' . c17791_2lg3 1 39 . 1 1 7 7 DG H8 H 1 7.797 . . 1 . . . . 7 DG H8 . c17791_2lg3 1 40 . 1 1 8 8 DA H1' H 1 5.999 . . . . . . . 8 DA H1' . c17791_2lg3 1 41 . 1 1 8 8 DA H2 H 1 7.611 . . 1 . . . . 8 DA H2 . c17791_2lg3 1 42 . 1 1 8 8 DA H2' H 1 2.747 . . . . . . . 8 DA H2' . c17791_2lg3 1 43 . 1 1 8 8 DA H2'' H 1 2.828 . . 2 . . . . 8 DA H2'' . c17791_2lg3 1 44 . 1 1 8 8 DA H3' H 1 5.044 . . . . . . . 8 DA H3' . c17791_2lg3 1 45 . 1 1 8 8 DA H8 H 1 8.178 . . 1 . . . . 8 DA H8 . c17791_2lg3 1 46 . 1 1 9 9 DG H1' H 1 5.966 . . . . . . . 9 DG H1' . c17791_2lg3 1 47 . 1 1 9 9 DG H2' H 1 2.553 . . . . . . . 9 DG H2' . c17791_2lg3 1 48 . 1 1 9 9 DG H2'' H 1 2.749 . . 2 . . . . 9 DG H2'' . c17791_2lg3 1 49 . 1 1 9 9 DG H3' H 1 4.899 . . . . . . . 9 DG H3' . c17791_2lg3 1 50 . 1 1 9 9 DG H8 H 1 7.633 . . 1 . . . . 9 DG H8 . c17791_2lg3 1 51 . 1 1 10 10 DT H1' H 1 6.149 . . . . . . . 10 DT H1' . c17791_2lg3 1 52 . 1 1 10 10 DT H2' H 1 2.224 . . . . . . . 10 DT H2' . c17791_2lg3 1 53 . 1 1 10 10 DT H2'' H 1 2.588 . . 2 . . . . 10 DT H2'' . c17791_2lg3 1 54 . 1 1 10 10 DT H6 H 1 7.344 . . 1 . . . . 10 DT H6 . c17791_2lg3 1 55 . 1 1 10 10 DT H71 H 1 1.287 . . 1 . . . . 10 DT H7 . c17791_2lg3 1 56 . 1 1 10 10 DT H72 H 1 1.287 . . 1 . . . . 10 DT H7 . c17791_2lg3 1 57 . 1 1 10 10 DT H73 H 1 1.287 . . 1 . . . . 10 DT H7 . c17791_2lg3 1 58 . 1 1 11 11 DC H1' H 1 6.132 . . . . . . . 11 DC H1' . c17791_2lg3 1 59 . 1 1 11 11 DC H2' H 1 2.272 . . . . . . . 11 DC H2' . c17791_2lg3 1 60 . 1 1 11 11 DC H2'' H 1 2.538 . . 2 . . . . 11 DC H2'' . c17791_2lg3 1 61 . 1 1 11 11 DC H3' H 1 4.881 . . . . . . . 11 DC H3' . c17791_2lg3 1 62 . 1 1 11 11 DC H5 H 1 5.764 . . 1 . . . . 11 DC H5 . c17791_2lg3 1 63 . 1 1 12 12 DC H1' H 1 6.298 . . . . . . . 12 DC H1' . c17791_2lg3 1 64 . 1 1 12 12 DC H2' H 1 2.318 . . . . . . . 12 DC H2' . c17791_2lg3 1 65 . 1 1 12 12 DC H3' H 1 4.605 . . . . . . . 12 DC H3' . c17791_2lg3 1 66 . 1 1 12 12 DC H5 H 1 5.868 . . 1 . . . . 12 DC H5 . c17791_2lg3 1 67 . 1 1 12 12 DC H6 H 1 7.730 . . 1 . . . . 12 DC H6 . c17791_2lg3 1 68 . 2 2 1 1 DG H1' H 1 5.678 . . . . . . B 13 DG H1' . c17791_2lg3 1 69 . 2 2 1 1 DG H2' H 1 2.506 . . . . . . B 13 DG H2' . c17791_2lg3 1 70 . 2 2 1 1 DG H2'' H 1 2.690 . . 2 . . . B 13 DG H2'' . c17791_2lg3 1 71 . 2 2 1 1 DG H3' H 1 4.845 . . . . . . B 13 DG H3' . c17791_2lg3 1 72 . 2 2 1 1 DG H8 H 1 7.864 . . 1 . . . B 13 DG H8 . c17791_2lg3 1 73 . 2 2 2 2 DG H1' H 1 5.573 . . . . . . B 14 DG H1' . c17791_2lg3 1 74 . 2 2 2 2 DG H2' H 1 2.718 . . . . . . B 14 DG H2' . c17791_2lg3 1 75 . 2 2 2 2 DG H2'' H 1 2.809 . . 2 . . . B 14 DG H2'' . c17791_2lg3 1 76 . 2 2 2 2 DG H3' H 1 5.051 . . . . . . B 14 DG H3' . c17791_2lg3 1 77 . 2 2 2 2 DG H8 H 1 7.879 . . 1 . . . B 14 DG H8 . c17791_2lg3 1 78 . 2 2 3 3 DA H1' H 1 6.325 . . . . . . B 15 DA H1' . c17791_2lg3 1 79 . 2 2 3 3 DA H2 H 1 7.992 . . 1 . . . B 15 DA H2 . c17791_2lg3 1 80 . 2 2 3 3 DA H2' H 1 2.758 . . . . . . B 15 DA H2' . c17791_2lg3 1 81 . 2 2 3 3 DA H2'' H 1 2.958 . . 2 . . . B 15 DA H2'' . c17791_2lg3 1 82 . 2 2 3 3 DA H3' H 1 5.100 . . . . . . B 15 DA H3' . c17791_2lg3 1 83 . 2 2 3 3 DA H8 H 1 8.239 . . 1 . . . B 15 DA H8 . c17791_2lg3 1 84 . 2 2 4 4 DC H1' H 1 5.892 . . . . . . B 16 DC H1' . c17791_2lg3 1 85 . 2 2 4 4 DC H2' H 1 1.953 . . . . . . B 16 DC H2' . c17791_2lg3 1 86 . 2 2 4 4 DC H5 H 1 5.262 . . 1 . . . B 16 DC H5 . c17791_2lg3 1 87 . 2 2 4 4 DC H6 H 1 7.296 . . 1 . . . B 16 DC H6 . c17791_2lg3 1 88 . 2 2 5 5 DT H1' H 1 6.169 . . . . . . B 17 DT H1' . c17791_2lg3 1 89 . 2 2 5 5 DT H2' H 1 2.072 . . . . . . B 17 DT H2' . c17791_2lg3 1 90 . 2 2 5 5 DT H2'' H 1 2.317 . . 2 . . . B 17 DT H2'' . c17791_2lg3 1 91 . 2 2 5 5 DT H3' H 1 4.910 . . . . . . B 17 DT H3' . c17791_2lg3 1 92 . 2 2 5 5 DT H6 H 1 7.330 . . 1 . . . B 17 DT H6 . c17791_2lg3 1 93 . 2 2 5 5 DT H71 H 1 1.642 . . 1 . . . B 17 DT H7 . c17791_2lg3 1 94 . 2 2 5 5 DT H72 H 1 1.642 . . 1 . . . B 17 DT H7 . c17791_2lg3 1 95 . 2 2 5 5 DT H73 H 1 1.642 . . 1 . . . B 17 DT H7 . c17791_2lg3 1 96 . 2 2 6 6 DT H1' H 1 6.032 . . . . . . B 18 DT H1' . c17791_2lg3 1 97 . 2 2 6 6 DT H2' H 1 2.125 . . . . . . B 18 DT H2' . c17791_2lg3 1 98 . 2 2 6 6 DT H2'' H 1 2.364 . . 2 . . . B 18 DT H2'' . c17791_2lg3 1 99 . 2 2 6 6 DT H3' H 1 4.837 . . . . . . B 18 DT H3' . c17791_2lg3 1 100 . 2 2 6 6 DT H6 H 1 7.551 . . 1 . . . B 18 DT H6 . c17791_2lg3 1 101 . 2 2 6 6 DT H71 H 1 1.843 . . 1 . . . B 18 DT H7 . c17791_2lg3 1 102 . 2 2 6 6 DT H72 H 1 1.843 . . 1 . . . B 18 DT H7 . c17791_2lg3 1 103 . 2 2 6 6 DT H73 H 1 1.843 . . 1 . . . B 18 DT H7 . c17791_2lg3 1 104 . 2 2 7 7 DG H1' H 1 5.980 . . . . . . B 19 DG H1' . c17791_2lg3 1 105 . 2 2 7 7 DG H2'' H 1 2.814 . . 2 . . . B 19 DG H2'' . c17791_2lg3 1 106 . 2 2 7 7 DG H3' H 1 4.993 . . . . . . B 19 DG H3' . c17791_2lg3 1 107 . 2 2 7 7 DG H8 H 1 8.002 . . 1 . . . B 19 DG H8 . c17791_2lg3 1 108 . 2 2 8 8 DC H1' H 1 5.940 . . . . . . B 20 DC H1' . c17791_2lg3 1 109 . 2 2 8 8 DC H2' H 1 2.063 . . . . . . B 20 DC H2' . c17791_2lg3 1 110 . 2 2 8 8 DC H2'' H 1 2.489 . . 2 . . . B 20 DC H2'' . c17791_2lg3 1 111 . 2 2 8 8 DC H5 H 1 5.393 . . 1 . . . B 20 DC H5 . c17791_2lg3 1 112 . 2 2 8 8 DC H6 H 1 7.449 . . 1 . . . B 20 DC H6 . c17791_2lg3 1 113 . 2 2 9 9 DT H1' H 1 5.570 . . . . . . B 21 DT H1' . c17791_2lg3 1 114 . 2 2 9 9 DT H2' H 1 2.159 . . . . . . B 21 DT H2' . c17791_2lg3 1 115 . 2 2 9 9 DT H2'' H 1 2.446 . . 2 . . . B 21 DT H2'' . c17791_2lg3 1 116 . 2 2 9 9 DT H3' H 1 4.904 . . . . . . B 21 DT H3' . c17791_2lg3 1 117 . 2 2 9 9 DT H6 H 1 7.457 . . 1 . . . B 21 DT H6 . c17791_2lg3 1 118 . 2 2 9 9 DT H71 H 1 1.692 . . 1 . . . B 21 DT H7 . c17791_2lg3 1 119 . 2 2 9 9 DT H72 H 1 1.692 . . 1 . . . B 21 DT H7 . c17791_2lg3 1 120 . 2 2 9 9 DT H73 H 1 1.692 . . 1 . . . B 21 DT H7 . c17791_2lg3 1 121 . 2 2 10 10 DA H2 H 1 7.513 . . 1 . . . B 22 DA H2 . c17791_2lg3 1 122 . 2 2 10 10 DA H8 H 1 8.249 . . 1 . . . B 22 DA H8 . c17791_2lg3 1 123 . 2 2 11 11 DG H1' H 1 5.849 . . . . . . B 23 DG H1' . c17791_2lg3 1 124 . 2 2 11 11 DG H2' H 1 2.525 . . . . . . B 23 DG H2' . c17791_2lg3 1 125 . 2 2 11 11 DG H2'' H 1 2.684 . . 2 . . . B 23 DG H2'' . c17791_2lg3 1 126 . 2 2 11 11 DG H3' H 1 4.984 . . . . . . B 23 DG H3' . c17791_2lg3 1 127 . 2 2 11 11 DG H8 H 1 7.724 . . 1 . . . B 23 DG H8 . c17791_2lg3 1 128 . 2 2 12 12 DC H1' H 1 6.173 . . . . . . B 24 DC H1' . c17791_2lg3 1 129 . 2 2 12 12 DC H2' H 1 2.151 . . . . . . B 24 DC H2' . c17791_2lg3 1 130 . 2 2 12 12 DC H2'' H 1 2.229 . . 2 . . . B 24 DC H2'' . c17791_2lg3 1 131 . 2 2 12 12 DC H3' H 1 4.496 . . . . . . B 24 DC H3' . c17791_2lg3 1 132 . 2 2 12 12 DC H5 H 1 5.438 . . 1 . . . B 24 DC H5 . c17791_2lg3 1 133 . 2 2 12 12 DC H6 H 1 7.452 . . 1 . . . B 24 DC H6 . c17791_2lg3 1 134 . 3 3 1 1 HNE H1 H 1 5.540 . . . . . . . 25 HNE H1 . c17791_2lg3 1 135 . 3 3 1 1 HNE H2 H 1 1.416 . . . . . . . 25 HNE H22 . c17791_2lg3 1 136 . 3 3 1 1 HNE H3 H 1 2.583 . . . . . . . 25 HNE H3 . c17791_2lg3 1 137 . 3 3 1 1 HNE H4 H 1 2.888 . . . . . . . 25 HNE H4 . c17791_2lg3 1 138 . 3 3 1 1 HNE H5C1 H 1 0.947 . . . . . . . 25 HNE H51 . c17791_2lg3 1 139 . 3 3 1 1 HNE H5C2 H 1 1.164 . . . . . . . 25 HNE H52 . c17791_2lg3 1 140 . 3 3 1 1 HNE H6C1 H 1 1.212 . . . . . . . 25 HNE H6 . c17791_2lg3 1 141 . 3 3 1 1 HNE H6C2 H 1 1.212 . . . . . . . 25 HNE H6 . c17791_2lg3 1 142 . 3 3 1 1 HNE H7C1 H 1 1.046 . . . . . . . 25 HNE H7 . c17791_2lg3 1 143 . 3 3 1 1 HNE H7C2 H 1 1.046 . . . . . . . 25 HNE H7 . c17791_2lg3 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c17791_2lg3 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c17791_2lg3 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c17791_2lg3 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c17791_2lg3 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 DG C1' C 7.302 -9.500 4.873 . . . 1.0 . . . . . . . . . . . . A . 1 DG C1' . . . . . . . . . c17791_2lg3 1 . 1 . 2 . 1 1 1 DG C2 C 4.775 -7.013 2.360 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2 . . . . . . . . . c17791_2lg3 1 . 1 . 3 . 1 1 1 DG C2' C 7.793 -9.753 6.306 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2' . . . . . . . . . c17791_2lg3 1 . 1 . 4 . 1 1 1 DG C3' C 9.029 -10.629 6.088 . . . 1.0 . . . . . . . . . . . . A . 1 DG C3' . . . . . . . . . c17791_2lg3 1 . 1 . 5 . 1 1 1 DG C4 C 5.138 -8.609 3.885 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4 . . . . . . . . . c17791_2lg3 1 . 1 . 6 . 1 1 1 DG C4' C 8.688 -11.375 4.795 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4' . . . . . . . . . c17791_2lg3 1 . 1 . 7 . 1 1 1 DG C5 C 3.814 -8.998 3.939 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5 . . . . . . . . . c17791_2lg3 1 . 1 . 8 . 1 1 1 DG C5' C 8.026 -12.736 5.063 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5' . . . . . . . . . c17791_2lg3 1 . 1 . 9 . 1 1 1 DG C6 C 2.882 -8.332 3.060 . . . 1.0 . . . . . . . . . . . . A . 1 DG C6 . . . . . . . . . c17791_2lg3 1 . 1 . 10 . 1 1 1 DG C8 C 4.867 -10.236 5.316 . . . 1.0 . . . . . . . . . . . . A . 1 DG C8 . . . . . . . . . c17791_2lg3 1 . 1 . 11 . 1 1 1 DG H1 H 2.847 -6.797 1.718 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1 . . . . . . . . . c17791_2lg3 1 . 1 . 12 . 1 1 1 DG H1' H 7.742 -8.560 4.517 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1' . . . . . . . . . c17791_2lg3 1 . 1 . 13 . 1 1 1 DG H2' H 7.062 -10.300 6.897 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2' . . . . . . . . . c17791_2lg3 1 . 1 . 14 . 1 1 1 DG H2'' H 8.034 -8.821 6.816 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 15 . 1 1 1 DG H21 H 6.115 -5.707 1.761 . . . 1.0 . . . . . . . . . . . . A . 1 DG H21 . . . . . . . . . c17791_2lg3 1 . 1 . 16 . 1 1 1 DG H22 H 4.534 -5.569 0.983 . . . 1.0 . . . . . . . . . . . . A . 1 DG H22 . . . . . . . . . c17791_2lg3 1 . 1 . 17 . 1 1 1 DG H3' H 9.173 -11.317 6.924 . . . 1.0 . . . . . . . . . . . . A . 1 DG H3' . . . . . . . . . c17791_2lg3 1 . 1 . 18 . 1 1 1 DG H4' H 9.603 -11.522 4.219 . . . 1.0 . . . . . . . . . . . . A . 1 DG H4' . . . . . . . . . c17791_2lg3 1 . 1 . 19 . 1 1 1 DG H5' H 8.726 -13.381 5.597 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5' . . . . . . . . . c17791_2lg3 1 . 1 . 20 . 1 1 1 DG H5'' H 7.135 -12.589 5.675 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 21 . 1 1 1 DG H8 H 5.098 -10.992 6.052 . . . 1.0 . . . . . . . . . . . . A . 1 DG H8 . . . . . . . . . c17791_2lg3 1 . 1 . 22 . 1 1 1 DG HO5' H 7.324 -12.625 3.253 . . . 1.0 . . . . . . . . . . . . A . 1 DG HO5' . . . . . . . . . c17791_2lg3 1 . 1 . 23 . 1 1 1 DG N1 N 3.464 -7.339 2.302 . . . 1.0 . . . . . . . . . . . . A . 1 DG N1 . . . . . . . . . c17791_2lg3 1 . 1 . 24 . 1 1 1 DG N2 N 5.192 -6.054 1.585 . . . 1.0 . . . . . . . . . . . . A . 1 DG N2 . . . . . . . . . c17791_2lg3 1 . 1 . 25 . 1 1 1 DG N3 N 5.684 -7.630 3.104 . . . 1.0 . . . . . . . . . . . . A . 1 DG N3 . . . . . . . . . c17791_2lg3 1 . 1 . 26 . 1 1 1 DG N7 N 3.660 -10.048 4.858 . . . 1.0 . . . . . . . . . . . . A . 1 DG N7 . . . . . . . . . c17791_2lg3 1 . 1 . 27 . 1 1 1 DG N9 N 5.825 -9.435 4.743 . . . 1.0 . . . . . . . . . . . . A . 1 DG N9 . . . . . . . . . c17791_2lg3 1 . 1 . 28 . 1 1 1 DG O3' O 10.218 -9.899 5.860 . . . 1.0 . . . . . . . . . . . . A . 1 DG O3' . . . . . . . . . c17791_2lg3 1 . 1 . 29 . 1 1 1 DG O4' O 7.771 -10.573 4.063 . . . 1.0 . . . . . . . . . . . . A . 1 DG O4' . . . . . . . . . c17791_2lg3 1 . 1 . 30 . 1 1 1 DG O5' O 7.662 -13.339 3.811 . . . 1.0 . . . . . . . . . . . . A . 1 DG O5' . . . . . . . . . c17791_2lg3 1 . 1 . 31 . 1 1 1 DG O6 O 1.688 -8.549 2.859 . . . 1.0 . . . . . . . . . . . . A . 1 DG O6 . . . . . . . . . c17791_2lg3 1 . 1 . 32 . 1 1 2 DC C1' C 7.852 -4.807 5.370 . . . 1.0 . . . . . . . . . . . . A . 2 DC C1' . . . . . . . . . c17791_2lg3 1 . 1 . 33 . 1 1 2 DC C2 C 5.408 -4.782 4.860 . . . 1.0 . . . . . . . . . . . . A . 2 DC C2 . . . . . . . . . c17791_2lg3 1 . 1 . 34 . 1 1 2 DC C2' C 8.517 -4.185 6.606 . . . 1.0 . . . . . . . . . . . . A . 2 DC C2' . . . . . . . . . c17791_2lg3 1 . 1 . 35 . 1 1 2 DC C3' C 10.004 -4.519 6.434 . . . 1.0 . . . . . . . . . . . . A . 2 DC C3' . . . . . . . . . c17791_2lg3 1 . 1 . 36 . 1 1 2 DC C4 C 3.934 -6.119 6.004 . . . 1.0 . . . . . . . . . . . . A . 2 DC C4 . . . . . . . . . c17791_2lg3 1 . 1 . 37 . 1 1 2 DC C4' C 10.002 -5.594 5.336 . . . 1.0 . . . . . . . . . . . . A . 2 DC C4' . . . . . . . . . c17791_2lg3 1 . 1 . 38 . 1 1 2 DC C5 C 4.967 -6.683 6.803 . . . 1.0 . . . . . . . . . . . . A . 2 DC C5 . . . . . . . . . c17791_2lg3 1 . 1 . 39 . 1 1 2 DC C5' C 10.829 -6.853 5.651 . . . 1.0 . . . . . . . . . . . . A . 2 DC C5' . . . . . . . . . c17791_2lg3 1 . 1 . 40 . 1 1 2 DC C6 C 6.231 -6.240 6.582 . . . 1.0 . . . . . . . . . . . . A . 2 DC C6 . . . . . . . . . c17791_2lg3 1 . 1 . 41 . 1 1 2 DC H1' H 7.866 -4.065 4.563 . . . 1.0 . . . . . . . . . . . . A . 2 DC H1' . . . . . . . . . c17791_2lg3 1 . 1 . 42 . 1 1 2 DC H2' H 8.159 -4.625 7.534 . . . 1.0 . . . . . . . . . . . . A . 2 DC H2' . . . . . . . . . c17791_2lg3 1 . 1 . 43 . 1 1 2 DC H2'' H 8.336 -3.114 6.628 . . . 1.0 . . . . . . . . . . . . A . 2 DC H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 44 . 1 1 2 DC H3' H 10.422 -4.913 7.363 . . . 1.0 . . . . . . . . . . . . A . 2 DC H3' . . . . . . . . . c17791_2lg3 1 . 1 . 45 . 1 1 2 DC H4' H 10.440 -5.133 4.450 . . . 1.0 . . . . . . . . . . . . A . 2 DC H4' . . . . . . . . . c17791_2lg3 1 . 1 . 46 . 1 1 2 DC H41 H 2.465 -7.137 6.889 . . . 1.0 . . . . . . . . . . . . A . 2 DC H41 . . . . . . . . . c17791_2lg3 1 . 1 . 47 . 1 1 2 DC H42 H 1.996 -6.097 5.559 . . . 1.0 . . . . . . . . . . . . A . 2 DC H42 . . . . . . . . . c17791_2lg3 1 . 1 . 48 . 1 1 2 DC H5 H 4.773 -7.431 7.552 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5 . . . . . . . . . c17791_2lg3 1 . 1 . 49 . 1 1 2 DC H5' H 10.818 -7.490 4.765 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5' . . . . . . . . . c17791_2lg3 1 . 1 . 50 . 1 1 2 DC H5'' H 11.861 -6.552 5.841 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 51 . 1 1 2 DC H6 H 7.073 -6.632 7.142 . . . 1.0 . . . . . . . . . . . . A . 2 DC H6 . . . . . . . . . c17791_2lg3 1 . 1 . 52 . 1 1 2 DC N1 N 6.467 -5.282 5.626 . . . 1.0 . . . . . . . . . . . . A . 2 DC N1 . . . . . . . . . c17791_2lg3 1 . 1 . 53 . 1 1 2 DC N3 N 4.147 -5.225 5.061 . . . 1.0 . . . . . . . . . . . . A . 2 DC N3 . . . . . . . . . c17791_2lg3 1 . 1 . 54 . 1 1 2 DC N4 N 2.713 -6.542 6.129 . . . 1.0 . . . . . . . . . . . . A . 2 DC N4 . . . . . . . . . c17791_2lg3 1 . 1 . 55 . 1 1 2 DC O2 O 5.583 -3.941 3.975 . . . 1.0 . . . . . . . . . . . . A . 2 DC O2 . . . . . . . . . c17791_2lg3 1 . 1 . 56 . 1 1 2 DC O3' O 10.755 -3.405 5.971 . . . 1.0 . . . . . . . . . . . . A . 2 DC O3' . . . . . . . . . c17791_2lg3 1 . 1 . 57 . 1 1 2 DC O4' O 8.655 -5.919 5.025 . . . 1.0 . . . . . . . . . . . . A . 2 DC O4' . . . . . . . . . c17791_2lg3 1 . 1 . 58 . 1 1 2 DC O5' O 10.364 -7.608 6.764 . . . 1.0 . . . . . . . . . . . . A . 2 DC O5' . . . . . . . . . c17791_2lg3 1 . 1 . 59 . 1 1 2 DC OP1 O 12.402 -9.110 6.741 . . . 1.0 . . . . . . . . . . . . A . 2 DC OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 60 . 1 1 2 DC OP2 O 10.440 -9.608 8.316 . . . 1.0 . . . . . . . . . . . . A . 2 DC OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 61 . 1 1 2 DC P P 10.953 -9.085 7.033 . . . 1.0 . . . . . . . . . . . . A . 2 DC P . . . . . . . . . c17791_2lg3 1 . 1 . 62 . 1 1 3 DT C1' C 6.238 -0.063 5.846 . . . 1.0 . . . . . . . . . . . . A . 3 DT C1' . . . . . . . . . c17791_2lg3 1 . 1 . 63 . 1 1 3 DT C2 C 3.992 -1.123 5.983 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2 . . . . . . . . . c17791_2lg3 1 . 1 . 64 . 1 1 3 DT C2' C 6.833 0.917 6.866 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2' . . . . . . . . . c17791_2lg3 1 . 1 . 65 . 1 1 3 DT C3' C 8.147 1.347 6.206 . . . 1.0 . . . . . . . . . . . . A . 3 DT C3' . . . . . . . . . c17791_2lg3 1 . 1 . 66 . 1 1 3 DT C4 C 3.537 -2.932 7.568 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4 . . . . . . . . . c17791_2lg3 1 . 1 . 67 . 1 1 3 DT C4' C 8.428 0.203 5.217 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4' . . . . . . . . . c17791_2lg3 1 . 1 . 68 . 1 1 3 DT C5 C 4.923 -2.813 8.017 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5 . . . . . . . . . c17791_2lg3 1 . 1 . 69 . 1 1 3 DT C5' C 9.780 -0.502 5.407 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5' . . . . . . . . . c17791_2lg3 1 . 1 . 70 . 1 1 3 DT C6 C 5.756 -1.901 7.452 . . . 1.0 . . . . . . . . . . . . A . 3 DT C6 . . . . . . . . . c17791_2lg3 1 . 1 . 71 . 1 1 3 DT C7 C 5.442 -3.710 9.128 . . . 1.0 . . . . . . . . . . . . A . 3 DT C7 . . . . . . . . . c17791_2lg3 1 . 1 . 72 . 1 1 3 DT H1' H 5.725 0.518 5.073 . . . 1.0 . . . . . . . . . . . . A . 3 DT H1' . . . . . . . . . c17791_2lg3 1 . 1 . 73 . 1 1 3 DT H2' H 7.052 0.435 7.816 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2' . . . . . . . . . c17791_2lg3 1 . 1 . 74 . 1 1 3 DT H2'' H 6.162 1.756 7.031 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 75 . 1 1 3 DT H3 H 2.191 -2.046 6.303 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3 . . . . . . . . . c17791_2lg3 1 . 1 . 76 . 1 1 3 DT H3' H 8.946 1.433 6.947 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3' . . . . . . . . . c17791_2lg3 1 . 1 . 77 . 1 1 3 DT H4' H 8.429 0.642 4.220 . . . 1.0 . . . . . . . . . . . . A . 3 DT H4' . . . . . . . . . c17791_2lg3 1 . 1 . 78 . 1 1 3 DT H5' H 9.894 -1.238 4.612 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5' . . . . . . . . . c17791_2lg3 1 . 1 . 79 . 1 1 3 DT H5'' H 10.583 0.232 5.318 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 80 . 1 1 3 DT H6 H 6.784 -1.820 7.781 . . . 1.0 . . . . . . . . . . . . A . 3 DT H6 . . . . . . . . . c17791_2lg3 1 . 1 . 81 . 1 1 3 DT H71 H 4.888 -3.491 10.040 . . . 1.0 . . . . . . . . . . . . A . 3 DT H71 . . . . . . . . . c17791_2lg3 1 . 1 . 82 . 1 1 3 DT H72 H 5.263 -4.751 8.869 . . . 1.0 . . . . . . . . . . . . A . 3 DT H72 . . . . . . . . . c17791_2lg3 1 . 1 . 83 . 1 1 3 DT H73 H 6.505 -3.550 9.302 . . . 1.0 . . . . . . . . . . . . A . 3 DT H73 . . . . . . . . . c17791_2lg3 1 . 1 . 84 . 1 1 3 DT N1 N 5.313 -1.061 6.452 . . . 1.0 . . . . . . . . . . . . A . 3 DT N1 . . . . . . . . . c17791_2lg3 1 . 1 . 85 . 1 1 3 DT N3 N 3.166 -2.053 6.575 . . . 1.0 . . . . . . . . . . . . A . 3 DT N3 . . . . . . . . . c17791_2lg3 1 . 1 . 86 . 1 1 3 DT O2 O 3.566 -0.424 5.069 . . . 1.0 . . . . . . . . . . . . A . 3 DT O2 . . . . . . . . . c17791_2lg3 1 . 1 . 87 . 1 1 3 DT O3' O 8.005 2.552 5.465 . . . 1.0 . . . . . . . . . . . . A . 3 DT O3' . . . . . . . . . c17791_2lg3 1 . 1 . 88 . 1 1 3 DT O4 O 2.720 -3.750 7.979 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4 . . . . . . . . . c17791_2lg3 1 . 1 . 89 . 1 1 3 DT O4' O 7.354 -0.727 5.282 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4' . . . . . . . . . c17791_2lg3 1 . 1 . 90 . 1 1 3 DT O5' O 9.901 -1.159 6.657 . . . 1.0 . . . . . . . . . . . . A . 3 DT O5' . . . . . . . . . c17791_2lg3 1 . 1 . 91 . 1 1 3 DT OP1 O 12.361 -1.541 6.378 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 92 . 1 1 3 DT OP2 O 11.080 -2.608 8.324 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 93 . 1 1 3 DT P P 11.131 -2.156 6.921 . . . 1.0 . . . . . . . . . . . . A . 3 DT P . . . . . . . . . c17791_2lg3 1 . 1 . 94 . 1 1 4 DA C1' C 2.738 3.181 7.610 . . . 1.0 . . . . . . . . . . . . A . 4 DA C1' . . . . . . . . . c17791_2lg3 1 . 1 . 95 . 1 1 4 DA C2 C -0.614 0.581 8.645 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2 . . . . . . . . . c17791_2lg3 1 . 1 . 96 . 1 1 4 DA C2' C 3.259 4.337 8.472 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2' . . . . . . . . . c17791_2lg3 1 . 1 . 97 . 1 1 4 DA C3' C 3.800 5.327 7.430 . . . 1.0 . . . . . . . . . . . . A . 4 DA C3' . . . . . . . . . c17791_2lg3 1 . 1 . 98 . 1 1 4 DA C4 C 1.540 1.157 8.583 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4 . . . . . . . . . c17791_2lg3 1 . 1 . 99 . 1 1 4 DA C4' C 4.053 4.418 6.210 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4' . . . . . . . . . c17791_2lg3 1 . 1 . 100 . 1 1 4 DA C5 C 1.958 0.021 9.224 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5 . . . . . . . . . c17791_2lg3 1 . 1 . 101 . 1 1 4 DA C5' C 5.484 4.454 5.645 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5' . . . . . . . . . c17791_2lg3 1 . 1 . 102 . 1 1 4 DA C6 C 0.898 -0.857 9.562 . . . 1.0 . . . . . . . . . . . . A . 4 DA C6 . . . . . . . . . c17791_2lg3 1 . 1 . 103 . 1 1 4 DA C8 C 3.712 1.149 8.842 . . . 1.0 . . . . . . . . . . . . A . 4 DA C8 . . . . . . . . . c17791_2lg3 1 . 1 . 104 . 1 1 4 DA H1' H 1.746 3.436 7.222 . . . 1.0 . . . . . . . . . . . . A . 4 DA H1' . . . . . . . . . c17791_2lg3 1 . 1 . 105 . 1 1 4 DA H2 H -1.654 0.790 8.427 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2 . . . . . . . . . c17791_2lg3 1 . 1 . 106 . 1 1 4 DA H2' H 4.077 4.004 9.108 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2' . . . . . . . . . c17791_2lg3 1 . 1 . 107 . 1 1 4 DA H2'' H 2.467 4.768 9.078 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 108 . 1 1 4 DA H3' H 4.731 5.782 7.778 . . . 1.0 . . . . . . . . . . . . A . 4 DA H3' . . . . . . . . . c17791_2lg3 1 . 1 . 109 . 1 1 4 DA H4' H 3.381 4.750 5.420 . . . 1.0 . . . . . . . . . . . . A . 4 DA H4' . . . . . . . . . c17791_2lg3 1 . 1 . 110 . 1 1 4 DA H5' H 5.559 3.703 4.857 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5' . . . . . . . . . c17791_2lg3 1 . 1 . 111 . 1 1 4 DA H5'' H 5.662 5.437 5.207 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 112 . 1 1 4 DA H61 H 1.960 -2.304 10.447 . . . 1.0 . . . . . . . . . . . . A . 4 DA H61 . . . . . . . . . c17791_2lg3 1 . 1 . 113 . 1 1 4 DA H62 H 0.222 -2.579 10.351 . . . 1.0 . . . . . . . . . . . . A . 4 DA H62 . . . . . . . . . c17791_2lg3 1 . 1 . 114 . 1 1 4 DA H8 H 4.738 1.486 8.786 . . . 1.0 . . . . . . . . . . . . A . 4 DA H8 . . . . . . . . . c17791_2lg3 1 . 1 . 115 . 1 1 4 DA N1 N -0.369 -0.563 9.270 . . . 1.0 . . . . . . . . . . . . A . 4 DA N1 . . . . . . . . . c17791_2lg3 1 . 1 . 116 . 1 1 4 DA N3 N 0.264 1.497 8.252 . . . 1.0 . . . . . . . . . . . . A . 4 DA N3 . . . . . . . . . c17791_2lg3 1 . 1 . 117 . 1 1 4 DA N6 N 1.044 -2.021 10.162 . . . 1.0 . . . . . . . . . . . . A . 4 DA N6 . . . . . . . . . c17791_2lg3 1 . 1 . 118 . 1 1 4 DA N7 N 3.360 0.008 9.374 . . . 1.0 . . . . . . . . . . . . A . 4 DA N7 . . . . . . . . . c17791_2lg3 1 . 1 . 119 . 1 1 4 DA N9 N 2.676 1.888 8.327 . . . 1.0 . . . . . . . . . . . . A . 4 DA N9 . . . . . . . . . c17791_2lg3 1 . 1 . 120 . 1 1 4 DA O3' O 2.854 6.329 7.066 . . . 1.0 . . . . . . . . . . . . A . 4 DA O3' . . . . . . . . . c17791_2lg3 1 . 1 . 121 . 1 1 4 DA O4' O 3.677 3.093 6.556 . . . 1.0 . . . . . . . . . . . . A . 4 DA O4' . . . . . . . . . c17791_2lg3 1 . 1 . 122 . 1 1 4 DA O5' O 6.491 4.202 6.614 . . . 1.0 . . . . . . . . . . . . A . 4 DA O5' . . . . . . . . . c17791_2lg3 1 . 1 . 123 . 1 1 4 DA OP1 O 8.329 4.992 5.100 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 124 . 1 1 4 DA OP2 O 8.875 3.938 7.366 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 125 . 1 1 4 DA P P 8.022 4.007 6.161 . . . 1.0 . . . . . . . . . . . . A . 4 DA P . . . . . . . . . c17791_2lg3 1 . 1 . 126 . 1 1 5 DG C1' C -1.386 4.688 10.630 . . . 1.0 . . . . . . . . . . . . A . 5 DG C1' . . . . . . . . . c17791_2lg3 1 . 1 . 127 . 1 1 5 DG C2 C -2.843 0.920 12.311 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2 . . . . . . . . . c17791_2lg3 1 . 1 . 128 . 1 1 5 DG C2' C -1.024 5.988 11.350 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2' . . . . . . . . . c17791_2lg3 1 . 1 . 129 . 1 1 5 DG C3' C -1.430 7.056 10.330 . . . 1.0 . . . . . . . . . . . . A . 5 DG C3' . . . . . . . . . c17791_2lg3 1 . 1 . 130 . 1 1 5 DG C4 C -1.247 2.371 11.683 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4 . . . . . . . . . c17791_2lg3 1 . 1 . 131 . 1 1 5 DG C4' C -1.214 6.302 9.000 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4' . . . . . . . . . c17791_2lg3 1 . 1 . 132 . 1 1 5 DG C5 C -0.210 1.568 12.112 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5 . . . . . . . . . c17791_2lg3 1 . 1 . 133 . 1 1 5 DG C5' C -0.072 6.843 8.117 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5' . . . . . . . . . c17791_2lg3 1 . 1 . 134 . 1 1 5 DG C6 C -0.547 0.291 12.690 . . . 1.0 . . . . . . . . . . . . A . 5 DG C6 . . . . . . . . . c17791_2lg3 1 . 1 . 135 . 1 1 5 DG C8 C 0.682 3.335 11.323 . . . 1.0 . . . . . . . . . . . . A . 5 DG C8 . . . . . . . . . c17791_2lg3 1 . 1 . 136 . 1 1 5 DG H1 H -2.205 -0.832 13.133 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1 . . . . . . . . . c17791_2lg3 1 . 1 . 137 . 1 1 5 DG H1' H -2.467 4.524 10.687 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1' . . . . . . . . . c17791_2lg3 1 . 1 . 138 . 1 1 5 DG H2' H 0.051 6.053 11.509 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2' . . . . . . . . . c17791_2lg3 1 . 1 . 139 . 1 1 5 DG H2'' H -1.541 6.089 12.300 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 140 . 1 1 5 DG H21 H -4.773 1.274 12.210 . . . 1.0 . . . . . . . . . . . . A . 5 DG H21 . . . . . . . . . c17791_2lg3 1 . 1 . 141 . 1 1 5 DG H22 H -4.349 -0.287 12.930 . . . 1.0 . . . . . . . . . . . . A . 5 DG H22 . . . . . . . . . c17791_2lg3 1 . 1 . 142 . 1 1 5 DG H3' H -0.775 7.925 10.405 . . . 1.0 . . . . . . . . . . . . A . 5 DG H3' . . . . . . . . . c17791_2lg3 1 . 1 . 143 . 1 1 5 DG H4' H -2.141 6.369 8.430 . . . 1.0 . . . . . . . . . . . . A . 5 DG H4' . . . . . . . . . c17791_2lg3 1 . 1 . 144 . 1 1 5 DG H5' H 0.083 6.144 7.295 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5' . . . . . . . . . c17791_2lg3 1 . 1 . 145 . 1 1 5 DG H5'' H -0.385 7.800 7.698 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 146 . 1 1 5 DG H8 H 1.394 4.076 10.991 . . . 1.0 . . . . . . . . . . . . A . 5 DG H8 . . . . . . . . . c17791_2lg3 1 . 1 . 147 . 1 1 5 DG N1 N -1.904 0.046 12.741 . . . 1.0 . . . . . . . . . . . . A . 5 DG N1 . . . . . . . . . c17791_2lg3 1 . 1 . 148 . 1 1 5 DG N2 N -4.092 0.609 12.522 . . . 1.0 . . . . . . . . . . . . A . 5 DG N2 . . . . . . . . . c17791_2lg3 1 . 1 . 149 . 1 1 5 DG N3 N -2.585 2.108 11.773 . . . 1.0 . . . . . . . . . . . . A . 5 DG N3 . . . . . . . . . c17791_2lg3 1 . 1 . 150 . 1 1 5 DG N7 N 1.022 2.212 11.899 . . . 1.0 . . . . . . . . . . . . A . 5 DG N7 . . . . . . . . . c17791_2lg3 1 . 1 . 151 . 1 1 5 DG N9 N -0.669 3.511 11.171 . . . 1.0 . . . . . . . . . . . . A . 5 DG N9 . . . . . . . . . c17791_2lg3 1 . 1 . 152 . 1 1 5 DG O3' O -2.793 7.463 10.428 . . . 1.0 . . . . . . . . . . . . A . 5 DG O3' . . . . . . . . . c17791_2lg3 1 . 1 . 153 . 1 1 5 DG O4' O -0.991 4.928 9.293 . . . 1.0 . . . . . . . . . . . . A . 5 DG O4' . . . . . . . . . c17791_2lg3 1 . 1 . 154 . 1 1 5 DG O5' O 1.159 7.028 8.806 . . . 1.0 . . . . . . . . . . . . A . 5 DG O5' . . . . . . . . . c17791_2lg3 1 . 1 . 155 . 1 1 5 DG O6 O 0.193 -0.583 13.140 . . . 1.0 . . . . . . . . . . . . A . 5 DG O6 . . . . . . . . . c17791_2lg3 1 . 1 . 156 . 1 1 5 DG OP1 O 2.055 8.697 7.162 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 157 . 1 1 5 DG OP2 O 3.549 7.763 9.014 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 158 . 1 1 5 DG P P 2.465 7.568 8.027 . . . 1.0 . . . . . . . . . . . . A . 5 DG P . . . . . . . . . c17791_2lg3 1 . 1 . 159 . 1 1 6 DC C1' C -5.098 3.877 14.278 . . . 1.0 . . . . . . . . . . . . A . 6 DC C1' . . . . . . . . . c17791_2lg3 1 . 1 . 160 . 1 1 6 DC C2 C -3.623 2.220 15.424 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2 . . . . . . . . . c17791_2lg3 1 . 1 . 161 . 1 1 6 DC C2' C -5.594 5.159 14.951 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2' . . . . . . . . . c17791_2lg3 1 . 1 . 162 . 1 1 6 DC C3' C -6.609 5.635 13.910 . . . 1.0 . . . . . . . . . . . . A . 6 DC C3' . . . . . . . . . c17791_2lg3 1 . 1 . 163 . 1 1 6 DC C4 C -1.338 2.444 15.394 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4 . . . . . . . . . c17791_2lg3 1 . 1 . 164 . 1 1 6 DC C4' C -5.950 5.213 12.586 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4' . . . . . . . . . c17791_2lg3 1 . 1 . 165 . 1 1 6 DC C5 C -1.407 3.713 14.752 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5 . . . . . . . . . c17791_2lg3 1 . 1 . 166 . 1 1 6 DC C5' C -5.261 6.339 11.781 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5' . . . . . . . . . c17791_2lg3 1 . 1 . 167 . 1 1 6 DC C6 C -2.644 4.182 14.445 . . . 1.0 . . . . . . . . . . . . A . 6 DC C6 . . . . . . . . . c17791_2lg3 1 . 1 . 168 . 1 1 6 DC H1' H -5.844 3.090 14.442 . . . 1.0 . . . . . . . . . . . . A . 6 DC H1' . . . . . . . . . c17791_2lg3 1 . 1 . 169 . 1 1 6 DC H2' H -4.800 5.894 15.058 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2' . . . . . . . . . c17791_2lg3 1 . 1 . 170 . 1 1 6 DC H2'' H -6.046 4.952 15.919 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 171 . 1 1 6 DC H3' H -6.768 6.713 13.957 . . . 1.0 . . . . . . . . . . . . A . 6 DC H3' . . . . . . . . . c17791_2lg3 1 . 1 . 172 . 1 1 6 DC H4' H -6.734 4.798 11.954 . . . 1.0 . . . . . . . . . . . . A . 6 DC H4' . . . . . . . . . c17791_2lg3 1 . 1 . 173 . 1 1 6 DC H41 H 0.630 2.252 15.160 . . . 1.0 . . . . . . . . . . . . A . 6 DC H41 . . . . . . . . . c17791_2lg3 1 . 1 . 174 . 1 1 6 DC H42 H -0.216 0.909 15.919 . . . 1.0 . . . . . . . . . . . . A . 6 DC H42 . . . . . . . . . c17791_2lg3 1 . 1 . 175 . 1 1 6 DC H5 H -0.529 4.269 14.471 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5 . . . . . . . . . c17791_2lg3 1 . 1 . 176 . 1 1 6 DC H5' H -4.881 5.897 10.857 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5' . . . . . . . . . c17791_2lg3 1 . 1 . 177 . 1 1 6 DC H5'' H -6.015 7.079 11.505 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 178 . 1 1 6 DC H6 H -2.783 5.118 13.913 . . . 1.0 . . . . . . . . . . . . A . 6 DC H6 . . . . . . . . . c17791_2lg3 1 . 1 . 179 . 1 1 6 DC N1 N -3.758 3.442 14.755 . . . 1.0 . . . . . . . . . . . . A . 6 DC N1 . . . . . . . . . c17791_2lg3 1 . 1 . 180 . 1 1 6 DC N3 N -2.394 1.738 15.728 . . . 1.0 . . . . . . . . . . . . A . 6 DC N3 . . . . . . . . . c17791_2lg3 1 . 1 . 181 . 1 1 6 DC N4 N -0.187 1.871 15.585 . . . 1.0 . . . . . . . . . . . . A . 6 DC N4 . . . . . . . . . c17791_2lg3 1 . 1 . 182 . 1 1 6 DC O2 O -4.591 1.539 15.752 . . . 1.0 . . . . . . . . . . . . A . 6 DC O2 . . . . . . . . . c17791_2lg3 1 . 1 . 183 . 1 1 6 DC O3' O -7.844 4.944 14.020 . . . 1.0 . . . . . . . . . . . . A . 6 DC O3' . . . . . . . . . c17791_2lg3 1 . 1 . 184 . 1 1 6 DC O4' O -5.030 4.174 12.889 . . . 1.0 . . . . . . . . . . . . A . 6 DC O4' . . . . . . . . . c17791_2lg3 1 . 1 . 185 . 1 1 6 DC O5' O -4.190 7.003 12.451 . . . 1.0 . . . . . . . . . . . . A . 6 DC O5' . . . . . . . . . c17791_2lg3 1 . 1 . 186 . 1 1 6 DC OP1 O -4.396 9.211 11.259 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 187 . 1 1 6 DC OP2 O -2.291 8.646 12.590 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 188 . 1 1 6 DC P P -3.406 8.212 11.722 . . . 1.0 . . . . . . . . . . . . A . 6 DC P . . . . . . . . . c17791_2lg3 1 . 1 . 189 . 1 1 7 DG C1' C -6.541 1.924 19.127 . . . 1.0 . . . . . . . . . . . . A . 7 DG C1' . . . . . . . . . c17791_2lg3 1 . 1 . 190 . 1 1 7 DG C2 C -3.349 -0.690 20.662 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2 . . . . . . . . . c17791_2lg3 1 . 1 . 191 . 1 1 7 DG C2' C -7.497 2.884 19.854 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2' . . . . . . . . . c17791_2lg3 1 . 1 . 192 . 1 1 7 DG C3' C -8.739 2.957 18.946 . . . 1.0 . . . . . . . . . . . . A . 7 DG C3' . . . . . . . . . c17791_2lg3 1 . 1 . 193 . 1 1 7 DG C4 C -4.183 1.253 19.880 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4 . . . . . . . . . c17791_2lg3 1 . 1 . 194 . 1 1 7 DG C4' C -8.247 2.288 17.649 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4' . . . . . . . . . c17791_2lg3 1 . 1 . 195 . 1 1 7 DG C5 C -2.965 1.900 19.924 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5 . . . . . . . . . c17791_2lg3 1 . 1 . 196 . 1 1 7 DG C5' C -8.658 3.004 16.348 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5' . . . . . . . . . c17791_2lg3 1 . 1 . 197 . 1 1 7 DG C6 C -1.811 1.174 20.397 . . . 1.0 . . . . . . . . . . . . A . 7 DG C6 . . . . . . . . . c17791_2lg3 1 . 1 . 198 . 1 1 7 DG C8 C -4.375 3.309 19.162 . . . 1.0 . . . . . . . . . . . . A . 7 DG C8 . . . . . . . . . c17791_2lg3 1 . 1 . 199 . 1 1 7 DG H1' H -6.787 0.897 19.404 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1' . . . . . . . . . c17791_2lg3 1 . 1 . 200 . 1 1 7 DG H2' H -7.064 3.878 19.939 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2' . . . . . . . . . c17791_2lg3 1 . 1 . 201 . 1 1 7 DG H2'' H -7.744 2.502 20.841 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 202 . 1 1 7 DG H22 H -4.542 -2.234 20.964 . . . 1.0 . . . . . . . . . . . . A . 7 DG H22 . . . . . . . . . c17791_2lg3 1 . 1 . 203 . 1 1 7 DG H3' H -9.011 3.997 18.751 . . . 1.0 . . . . . . . . . . . . A . 7 DG H3' . . . . . . . . . c17791_2lg3 1 . 1 . 204 . 1 1 7 DG H4' H -8.678 1.287 17.616 . . . 1.0 . . . . . . . . . . . . A . 7 DG H4' . . . . . . . . . c17791_2lg3 1 . 1 . 205 . 1 1 7 DG H5' H -8.078 2.587 15.522 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5' . . . . . . . . . c17791_2lg3 1 . 1 . 206 . 1 1 7 DG H5'' H -9.712 2.792 16.172 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 207 . 1 1 7 DG H8 H -4.825 4.199 18.748 . . . 1.0 . . . . . . . . . . . . A . 7 DG H8 . . . . . . . . . c17791_2lg3 1 . 1 . 208 . 1 1 7 DG N1 N -2.082 -0.153 20.767 . . . 1.0 . . . . . . . . . . . . A . 7 DG N1 . . . . . . . . . c17791_2lg3 1 . 1 . 209 . 1 1 7 DG N2 N -3.595 -1.918 21.077 . . . 1.0 . . . . . . . . . . . . A . 7 DG N2 . . . . . . . . . c17791_2lg3 1 . 1 . 210 . 1 1 7 DG N3 N -4.438 -0.033 20.253 . . . 1.0 . . . . . . . . . . . . A . 7 DG N3 . . . . . . . . . c17791_2lg3 1 . 1 . 211 . 1 1 7 DG N7 N -3.110 3.225 19.475 . . . 1.0 . . . . . . . . . . . . A . 7 DG N7 . . . . . . . . . c17791_2lg3 1 . 1 . 212 . 1 1 7 DG N9 N -5.095 2.162 19.384 . . . 1.0 . . . . . . . . . . . . A . 7 DG N9 . . . . . . . . . c17791_2lg3 1 . 1 . 213 . 1 1 7 DG O3' O -9.852 2.242 19.476 . . . 1.0 . . . . . . . . . . . . A . 7 DG O3' . . . . . . . . . c17791_2lg3 1 . 1 . 214 . 1 1 7 DG O4' O -6.839 2.137 17.763 . . . 1.0 . . . . . . . . . . . . A . 7 DG O4' . . . . . . . . . c17791_2lg3 1 . 1 . 215 . 1 1 7 DG O5' O -8.492 4.418 16.378 . . . 1.0 . . . . . . . . . . . . A . 7 DG O5' . . . . . . . . . c17791_2lg3 1 . 1 . 216 . 1 1 7 DG O6 O -0.662 1.611 20.514 . . . 1.0 . . . . . . . . . . . . A . 7 DG O6 . . . . . . . . . c17791_2lg3 1 . 1 . 217 . 1 1 7 DG OP1 O -10.260 4.842 14.634 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 218 . 1 1 7 DG OP2 O -8.773 6.755 15.463 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 219 . 1 1 7 DG P P -8.947 5.324 15.121 . . . 1.0 . . . . . . . . . . . . A . 7 DG P . . . . . . . . . c17791_2lg3 1 . 1 . 220 . 1 1 8 DA C1' C -7.410 0.999 24.392 . . . 1.0 . . . . . . . . . . . . A . 8 DA C1' . . . . . . . . . c17791_2lg3 1 . 1 . 221 . 1 1 8 DA C2 C -3.245 -0.136 25.090 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2 . . . . . . . . . c17791_2lg3 1 . 1 . 222 . 1 1 8 DA C2' C -8.451 2.014 24.882 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2' . . . . . . . . . c17791_2lg3 1 . 1 . 223 . 1 1 8 DA C3' C -9.755 1.230 24.719 . . . 1.0 . . . . . . . . . . . . A . 8 DA C3' . . . . . . . . . c17791_2lg3 1 . 1 . 224 . 1 1 8 DA C4 C -4.870 1.133 24.235 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4 . . . . . . . . . c17791_2lg3 1 . 1 . 225 . 1 1 8 DA C4' C -9.428 0.334 23.508 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4' . . . . . . . . . c17791_2lg3 1 . 1 . 226 . 1 1 8 DA C5 C -3.996 2.035 23.689 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5 . . . . . . . . . c17791_2lg3 1 . 1 . 227 . 1 1 8 DA C5' C -10.148 0.767 22.217 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5' . . . . . . . . . c17791_2lg3 1 . 1 . 228 . 1 1 8 DA C6 C -2.635 1.732 23.939 . . . 1.0 . . . . . . . . . . . . A . 8 DA C6 . . . . . . . . . c17791_2lg3 1 . 1 . 229 . 1 1 8 DA C8 C -5.934 2.744 23.200 . . . 1.0 . . . . . . . . . . . . A . 8 DA C8 . . . . . . . . . c17791_2lg3 1 . 1 . 230 . 1 1 8 DA H1' H -7.218 0.277 25.193 . . . 1.0 . . . . . . . . . . . . A . 8 DA H1' . . . . . . . . . c17791_2lg3 1 . 1 . 231 . 1 1 8 DA H2 H -2.920 -1.006 25.645 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2 . . . . . . . . . c17791_2lg3 1 . 1 . 232 . 1 1 8 DA H2' H -8.486 2.887 24.233 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2' . . . . . . . . . c17791_2lg3 1 . 1 . 233 . 1 1 8 DA H2'' H -8.274 2.317 25.911 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 234 . 1 1 8 DA H3' H -10.587 1.898 24.485 . . . 1.0 . . . . . . . . . . . . A . 8 DA H3' . . . . . . . . . c17791_2lg3 1 . 1 . 235 . 1 1 8 DA H4' H -9.738 -0.682 23.748 . . . 1.0 . . . . . . . . . . . . A . 8 DA H4' . . . . . . . . . c17791_2lg3 1 . 1 . 236 . 1 1 8 DA H5' H -9.723 0.218 21.375 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5' . . . . . . . . . c17791_2lg3 1 . 1 . 237 . 1 1 8 DA H5'' H -11.202 0.503 22.304 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 238 . 1 1 8 DA H61 H -1.782 3.203 22.881 . . . 1.0 . . . . . . . . . . . . A . 8 DA H61 . . . . . . . . . c17791_2lg3 1 . 1 . 239 . 1 1 8 DA H62 H -0.669 2.129 23.726 . . . 1.0 . . . . . . . . . . . . A . 8 DA H62 . . . . . . . . . c17791_2lg3 1 . 1 . 240 . 1 1 8 DA H8 H -6.755 3.328 22.804 . . . 1.0 . . . . . . . . . . . . A . 8 DA H8 . . . . . . . . . c17791_2lg3 1 . 1 . 241 . 1 1 8 DA N1 N -2.282 0.653 24.639 . . . 1.0 . . . . . . . . . . . . A . 8 DA N1 . . . . . . . . . c17791_2lg3 1 . 1 . 242 . 1 1 8 DA N3 N -4.558 0.012 24.949 . . . 1.0 . . . . . . . . . . . . A . 8 DA N3 . . . . . . . . . c17791_2lg3 1 . 1 . 243 . 1 1 8 DA N6 N -1.610 2.442 23.515 . . . 1.0 . . . . . . . . . . . . A . 8 DA N6 . . . . . . . . . c17791_2lg3 1 . 1 . 244 . 1 1 8 DA N7 N -4.680 3.060 23.012 . . . 1.0 . . . . . . . . . . . . A . 8 DA N7 . . . . . . . . . c17791_2lg3 1 . 1 . 245 . 1 1 8 DA N9 N -6.132 1.605 23.946 . . . 1.0 . . . . . . . . . . . . A . 8 DA N9 . . . . . . . . . c17791_2lg3 1 . 1 . 246 . 1 1 8 DA O3' O -10.056 0.429 25.859 . . . 1.0 . . . . . . . . . . . . A . 8 DA O3' . . . . . . . . . c17791_2lg3 1 . 1 . 247 . 1 1 8 DA O4' O -8.020 0.340 23.302 . . . 1.0 . . . . . . . . . . . . A . 8 DA O4' . . . . . . . . . c17791_2lg3 1 . 1 . 248 . 1 1 8 DA O5' O -10.047 2.162 21.967 . . . 1.0 . . . . . . . . . . . . A . 8 DA O5' . . . . . . . . . c17791_2lg3 1 . 1 . 249 . 1 1 8 DA OP1 O -12.119 2.241 20.571 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 250 . 1 1 8 DA OP2 O -10.588 4.284 20.770 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 251 . 1 1 8 DA P P -10.760 2.818 20.685 . . . 1.0 . . . . . . . . . . . . A . 8 DA P . . . . . . . . . c17791_2lg3 1 . 1 . 252 . 1 1 9 DG C1' C -5.693 0.433 28.093 . . . 1.0 . . . . . . . . . . . . A . 9 DG C1' . . . . . . . . . c17791_2lg3 1 . 1 . 253 . 1 1 9 DG C2 C -1.276 0.597 28.067 . . . 1.0 . . . . . . . . . . . . A . 9 DG C2 . . . . . . . . . c17791_2lg3 1 . 1 . 254 . 1 1 9 DG C2' C -5.710 0.007 29.562 . . . 1.0 . . . . . . . . . . . . A . 9 DG C2' . . . . . . . . . c17791_2lg3 1 . 1 . 255 . 1 1 9 DG C3' C -7.183 -0.247 29.902 . . . 1.0 . . . . . . . . . . . . A . 9 DG C3' . . . . . . . . . c17791_2lg3 1 . 1 . 256 . 1 1 9 DG C4 C -3.343 1.462 27.872 . . . 1.0 . . . . . . . . . . . . A . 9 DG C4 . . . . . . . . . c17791_2lg3 1 . 1 . 257 . 1 1 9 DG C4' C -7.947 0.200 28.639 . . . 1.0 . . . . . . . . . . . . A . 9 DG C4' . . . . . . . . . c17791_2lg3 1 . 1 . 258 . 1 1 9 DG C5 C -2.883 2.705 27.478 . . . 1.0 . . . . . . . . . . . . A . 9 DG C5 . . . . . . . . . c17791_2lg3 1 . 1 . 259 . 1 1 9 DG C5' C -9.092 1.141 29.063 . . . 1.0 . . . . . . . . . . . . A . 9 DG C5' . . . . . . . . . c17791_2lg3 1 . 1 . 260 . 1 1 9 DG C6 C -1.457 2.903 27.386 . . . 1.0 . . . . . . . . . . . . A . 9 DG C6 . . . . . . . . . c17791_2lg3 1 . 1 . 261 . 1 1 9 DG C8 C -5.009 2.816 27.447 . . . 1.0 . . . . . . . . . . . . A . 9 DG C8 . . . . . . . . . c17791_2lg3 1 . 1 . 262 . 1 1 9 DG H1 H 0.279 1.842 27.613 . . . 1.0 . . . . . . . . . . . . A . 9 DG H1 . . . . . . . . . c17791_2lg3 1 . 1 . 263 . 1 1 9 DG H1' H -5.458 -0.426 27.460 . . . 1.0 . . . . . . . . . . . . A . 9 DG H1' . . . . . . . . . c17791_2lg3 1 . 1 . 264 . 1 1 9 DG H2' H -5.349 0.818 30.181 . . . 1.0 . . . . . . . . . . . . A . 9 DG H2' . . . . . . . . . c17791_2lg3 1 . 1 . 265 . 1 1 9 DG H2'' H -5.090 -0.874 29.716 . . . 1.0 . . . . . . . . . . . . A . 9 DG H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 266 . 1 1 9 DG H21 H -0.857 -1.261 28.601 . . . 1.0 . . . . . . . . . . . . A . 9 DG H21 . . . . . . . . . c17791_2lg3 1 . 1 . 267 . 1 1 9 DG H22 H 0.554 -0.249 28.280 . . . 1.0 . . . . . . . . . . . . A . 9 DG H22 . . . . . . . . . c17791_2lg3 1 . 1 . 268 . 1 1 9 DG H3' H -7.466 0.400 30.734 . . . 1.0 . . . . . . . . . . . . A . 9 DG H3' . . . . . . . . . c17791_2lg3 1 . 1 . 269 . 1 1 9 DG H4' H -8.341 -0.671 28.112 . . . 1.0 . . . . . . . . . . . . A . 9 DG H4' . . . . . . . . . c17791_2lg3 1 . 1 . 270 . 1 1 9 DG H5' H -9.795 0.575 29.677 . . . 1.0 . . . . . . . . . . . . A . 9 DG H5' . . . . . . . . . c17791_2lg3 1 . 1 . 271 . 1 1 9 DG H5'' H -8.665 1.930 29.680 . . . 1.0 . . . . . . . . . . . . A . 9 DG H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 272 . 1 1 9 DG H8 H -6.026 3.164 27.325 . . . 1.0 . . . . . . . . . . . . A . 9 DG H8 . . . . . . . . . c17791_2lg3 1 . 1 . 273 . 1 1 9 DG N1 N -0.725 1.775 27.693 . . . 1.0 . . . . . . . . . . . . A . 9 DG N1 . . . . . . . . . c17791_2lg3 1 . 1 . 274 . 1 1 9 DG N2 N -0.456 -0.379 28.345 . . . 1.0 . . . . . . . . . . . . A . 9 DG N2 . . . . . . . . . c17791_2lg3 1 . 1 . 275 . 1 1 9 DG N3 N -2.582 0.371 28.199 . . . 1.0 . . . . . . . . . . . . A . 9 DG N3 . . . . . . . . . c17791_2lg3 1 . 1 . 276 . 1 1 9 DG N7 N -3.964 3.566 27.232 . . . 1.0 . . . . . . . . . . . . A . 9 DG N7 . . . . . . . . . c17791_2lg3 1 . 1 . 277 . 1 1 9 DG N9 N -4.723 1.531 27.835 . . . 1.0 . . . . . . . . . . . . A . 9 DG N9 . . . . . . . . . c17791_2lg3 1 . 1 . 278 . 1 1 9 DG O3' O -7.435 -1.599 30.253 . . . 1.0 . . . . . . . . . . . . A . 9 DG O3' . . . . . . . . . c17791_2lg3 1 . 1 . 279 . 1 1 9 DG O4' O -7.008 0.897 27.831 . . . 1.0 . . . . . . . . . . . . A . 9 DG O4' . . . . . . . . . c17791_2lg3 1 . 1 . 280 . 1 1 9 DG O5' O -9.796 1.770 27.999 . . . 1.0 . . . . . . . . . . . . A . 9 DG O5' . . . . . . . . . c17791_2lg3 1 . 1 . 281 . 1 1 9 DG O6 O -0.820 3.913 27.080 . . . 1.0 . . . . . . . . . . . . A . 9 DG O6 . . . . . . . . . c17791_2lg3 1 . 1 . 282 . 1 1 9 DG OP1 O -11.415 -0.144 27.885 . . . 1.0 . . . . . . . . . . . . A . 9 DG OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 283 . 1 1 9 DG OP2 O -11.856 2.023 26.624 . . . 1.0 . . . . . . . . . . . . A . 9 DG OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 284 . 1 1 9 DG P P -10.901 1.004 27.108 . . . 1.0 . . . . . . . . . . . . A . 9 DG P . . . . . . . . . c17791_2lg3 1 . 1 . 285 . 1 1 10 DT C1' C -2.127 -1.335 32.176 . . . 1.0 . . . . . . . . . . . . A . 10 DT C1' . . . . . . . . . c17791_2lg3 1 . 1 . 286 . 1 1 10 DT C2 C -0.802 0.678 31.574 . . . 1.0 . . . . . . . . . . . . A . 10 DT C2 . . . . . . . . . c17791_2lg3 1 . 1 . 287 . 1 1 10 DT C2' C -2.825 -1.642 33.507 . . . 1.0 . . . . . . . . . . . . A . 10 DT C2' . . . . . . . . . c17791_2lg3 1 . 1 . 288 . 1 1 10 DT C3' C -3.254 -3.093 33.324 . . . 1.0 . . . . . . . . . . . . A . 10 DT C3' . . . . . . . . . c17791_2lg3 1 . 1 . 289 . 1 1 10 DT C4 C -1.871 2.831 31.121 . . . 1.0 . . . . . . . . . . . . A . 10 DT C4 . . . . . . . . . c17791_2lg3 1 . 1 . 290 . 1 1 10 DT C4' C -3.495 -3.157 31.805 . . . 1.0 . . . . . . . . . . . . A . 10 DT C4' . . . . . . . . . c17791_2lg3 1 . 1 . 291 . 1 1 10 DT C5 C -3.140 2.220 31.512 . . . 1.0 . . . . . . . . . . . . A . 10 DT C5 . . . . . . . . . c17791_2lg3 1 . 1 . 292 . 1 1 10 DT C5' C -4.987 -3.236 31.431 . . . 1.0 . . . . . . . . . . . . A . 10 DT C5' . . . . . . . . . c17791_2lg3 1 . 1 . 293 . 1 1 10 DT C6 C -3.198 0.901 31.843 . . . 1.0 . . . . . . . . . . . . A . 10 DT C6 . . . . . . . . . c17791_2lg3 1 . 1 . 294 . 1 1 10 DT C7 C -4.401 3.071 31.540 . . . 1.0 . . . . . . . . . . . . A . 10 DT C7 . . . . . . . . . c17791_2lg3 1 . 1 . 295 . 1 1 10 DT H1' H -1.123 -1.776 32.197 . . . 1.0 . . . . . . . . . . . . A . 10 DT H1' . . . . . . . . . c17791_2lg3 1 . 1 . 296 . 1 1 10 DT H2' H -3.711 -1.029 33.655 . . . 1.0 . . . . . . . . . . . . A . 10 DT H2' . . . . . . . . . c17791_2lg3 1 . 1 . 297 . 1 1 10 DT H2'' H -2.158 -1.533 34.351 . . . 1.0 . . . . . . . . . . . . A . 10 DT H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 298 . 1 1 10 DT H3 H 0.118 2.395 30.969 . . . 1.0 . . . . . . . . . . . . A . 10 DT H3 . . . . . . . . . c17791_2lg3 1 . 1 . 299 . 1 1 10 DT H3' H -4.175 -3.295 33.876 . . . 1.0 . . . . . . . . . . . . A . 10 DT H3' . . . . . . . . . c17791_2lg3 1 . 1 . 300 . 1 1 10 DT H4' H -2.994 -4.044 31.418 . . . 1.0 . . . . . . . . . . . . A . 10 DT H4' . . . . . . . . . c17791_2lg3 1 . 1 . 301 . 1 1 10 DT H5' H -5.084 -3.180 30.346 . . . 1.0 . . . . . . . . . . . . A . 10 DT H5' . . . . . . . . . c17791_2lg3 1 . 1 . 302 . 1 1 10 DT H5'' H -5.378 -4.200 31.760 . . . 1.0 . . . . . . . . . . . . A . 10 DT H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 303 . 1 1 10 DT H6 H -4.146 0.429 32.071 . . . 1.0 . . . . . . . . . . . . A . 10 DT H6 . . . . . . . . . c17791_2lg3 1 . 1 . 304 . 1 1 10 DT H71 H -4.261 3.892 32.243 . . . 1.0 . . . . . . . . . . . . A . 10 DT H71 . . . . . . . . . c17791_2lg3 1 . 1 . 305 . 1 1 10 DT H72 H -4.560 3.499 30.550 . . . 1.0 . . . . . . . . . . . . A . 10 DT H72 . . . . . . . . . c17791_2lg3 1 . 1 . 306 . 1 1 10 DT H73 H -5.272 2.487 31.834 . . . 1.0 . . . . . . . . . . . . A . 10 DT H73 . . . . . . . . . c17791_2lg3 1 . 1 . 307 . 1 1 10 DT N1 N -2.056 0.119 31.854 . . . 1.0 . . . . . . . . . . . . A . 10 DT N1 . . . . . . . . . c17791_2lg3 1 . 1 . 308 . 1 1 10 DT N3 N -0.784 1.998 31.190 . . . 1.0 . . . . . . . . . . . . A . 10 DT N3 . . . . . . . . . c17791_2lg3 1 . 1 . 309 . 1 1 10 DT O2 O 0.258 0.079 31.704 . . . 1.0 . . . . . . . . . . . . A . 10 DT O2 . . . . . . . . . c17791_2lg3 1 . 1 . 310 . 1 1 10 DT O3' O -2.238 -4.013 33.710 . . . 1.0 . . . . . . . . . . . . A . 10 DT O3' . . . . . . . . . c17791_2lg3 1 . 1 . 311 . 1 1 10 DT O4 O -1.708 3.996 30.768 . . . 1.0 . . . . . . . . . . . . A . 10 DT O4 . . . . . . . . . c17791_2lg3 1 . 1 . 312 . 1 1 10 DT O4' O -2.909 -2.006 31.206 . . . 1.0 . . . . . . . . . . . . A . 10 DT O4' . . . . . . . . . c17791_2lg3 1 . 1 . 313 . 1 1 10 DT O5' O -5.754 -2.199 32.030 . . . 1.0 . . . . . . . . . . . . A . 10 DT O5' . . . . . . . . . c17791_2lg3 1 . 1 . 314 . 1 1 10 DT OP1 O -7.913 -3.458 31.880 . . . 1.0 . . . . . . . . . . . . A . 10 DT OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 315 . 1 1 10 DT OP2 O -7.860 -1.021 32.663 . . . 1.0 . . . . . . . . . . . . A . 10 DT OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 316 . 1 1 10 DT P P -7.341 -2.097 31.787 . . . 1.0 . . . . . . . . . . . . A . 10 DT P . . . . . . . . . c17791_2lg3 1 . 1 . 317 . 1 1 11 DC C1' C 1.929 -0.606 35.369 . . . 1.0 . . . . . . . . . . . . A . 11 DC C1' . . . . . . . . . c17791_2lg3 1 . 1 . 318 . 1 1 11 DC C2 C 1.589 1.764 34.635 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2 . . . . . . . . . c17791_2lg3 1 . 1 . 319 . 1 1 11 DC C2' C 1.660 -1.258 36.737 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2' . . . . . . . . . c17791_2lg3 1 . 1 . 320 . 1 1 11 DC C3' C 2.194 -2.679 36.544 . . . 1.0 . . . . . . . . . . . . A . 11 DC C3' . . . . . . . . . c17791_2lg3 1 . 1 . 321 . 1 1 11 DC C4 C -0.509 2.679 34.453 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4 . . . . . . . . . c17791_2lg3 1 . 1 . 322 . 1 1 11 DC C4' C 1.924 -2.897 35.039 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4' . . . . . . . . . c17791_2lg3 1 . 1 . 323 . 1 1 11 DC C5 C -1.139 1.480 34.888 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5 . . . . . . . . . c17791_2lg3 1 . 1 . 324 . 1 1 11 DC C5' C 0.710 -3.799 34.732 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5' . . . . . . . . . c17791_2lg3 1 . 1 . 325 . 1 1 11 DC C6 C -0.328 0.427 35.167 . . . 1.0 . . . . . . . . . . . . A . 11 DC C6 . . . . . . . . . c17791_2lg3 1 . 1 . 326 . 1 1 11 DC H1' H 2.982 -0.306 35.317 . . . 1.0 . . . . . . . . . . . . A . 11 DC H1' . . . . . . . . . c17791_2lg3 1 . 1 . 327 . 1 1 11 DC H2' H 0.597 -1.328 36.958 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2' . . . . . . . . . c17791_2lg3 1 . 1 . 328 . 1 1 11 DC H2'' H 2.155 -0.736 37.548 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 329 . 1 1 11 DC H3' H 1.619 -3.387 37.144 . . . 1.0 . . . . . . . . . . . . A . 11 DC H3' . . . . . . . . . c17791_2lg3 1 . 1 . 330 . 1 1 11 DC H4' H 2.809 -3.348 34.591 . . . 1.0 . . . . . . . . . . . . A . 11 DC H4' . . . . . . . . . c17791_2lg3 1 . 1 . 331 . 1 1 11 DC H41 H -2.209 3.665 34.086 . . . 1.0 . . . . . . . . . . . . A . 11 DC H41 . . . . . . . . . c17791_2lg3 1 . 1 . 332 . 1 1 11 DC H42 H -0.710 4.541 33.821 . . . 1.0 . . . . . . . . . . . . A . 11 DC H42 . . . . . . . . . c17791_2lg3 1 . 1 . 333 . 1 1 11 DC H5 H -2.208 1.375 34.966 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5 . . . . . . . . . c17791_2lg3 1 . 1 . 334 . 1 1 11 DC H5' H 0.528 -3.781 33.656 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5' . . . . . . . . . c17791_2lg3 1 . 1 . 335 . 1 1 11 DC H5'' H 0.959 -4.822 35.016 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 336 . 1 1 11 DC H6 H -0.733 -0.531 35.473 . . . 1.0 . . . . . . . . . . . . A . 11 DC H6 . . . . . . . . . c17791_2lg3 1 . 1 . 337 . 1 1 11 DC N1 N 1.035 0.544 35.047 . . . 1.0 . . . . . . . . . . . . A . 11 DC N1 . . . . . . . . . c17791_2lg3 1 . 1 . 338 . 1 1 11 DC N3 N 0.790 2.824 34.362 . . . 1.0 . . . . . . . . . . . . A . 11 DC N3 . . . . . . . . . c17791_2lg3 1 . 1 . 339 . 1 1 11 DC N4 N -1.220 3.731 34.177 . . . 1.0 . . . . . . . . . . . . A . 11 DC N4 . . . . . . . . . c17791_2lg3 1 . 1 . 340 . 1 1 11 DC O2 O 2.802 1.951 34.583 . . . 1.0 . . . . . . . . . . . . A . 11 DC O2 . . . . . . . . . c17791_2lg3 1 . 1 . 341 . 1 1 11 DC O3' O 3.585 -2.801 36.851 . . . 1.0 . . . . . . . . . . . . A . 11 DC O3' . . . . . . . . . c17791_2lg3 1 . 1 . 342 . 1 1 11 DC O4' O 1.707 -1.632 34.426 . . . 1.0 . . . . . . . . . . . . A . 11 DC O4' . . . . . . . . . c17791_2lg3 1 . 1 . 343 . 1 1 11 DC O5' O -0.480 -3.407 35.409 . . . 1.0 . . . . . . . . . . . . A . 11 DC O5' . . . . . . . . . c17791_2lg3 1 . 1 . 344 . 1 1 11 DC OP1 O -1.504 -5.697 35.423 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 345 . 1 1 11 DC OP2 O -2.859 -3.642 36.120 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 346 . 1 1 11 DC P P -1.836 -4.266 35.254 . . . 1.0 . . . . . . . . . . . . A . 11 DC P . . . . . . . . . c17791_2lg3 1 . 1 . 347 . 1 1 12 DC C1' C 5.451 2.744 37.545 . . . 1.0 . . . . . . . . . . . . A . 12 DC C1' . . . . . . . . . c17791_2lg3 1 . 1 . 348 . 1 1 12 DC C2 C 3.631 4.428 37.432 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2 . . . . . . . . . c17791_2lg3 1 . 1 . 349 . 1 1 12 DC C2' C 6.042 2.645 38.963 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2' . . . . . . . . . c17791_2lg3 1 . 1 . 350 . 1 1 12 DC C3' C 6.215 1.146 39.183 . . . 1.0 . . . . . . . . . . . . A . 12 DC C3' . . . . . . . . . c17791_2lg3 1 . 1 . 351 . 1 1 12 DC C4 C 1.418 3.852 37.546 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4 . . . . . . . . . c17791_2lg3 1 . 1 . 352 . 1 1 12 DC C4' C 6.386 0.625 37.748 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4' . . . . . . . . . c17791_2lg3 1 . 1 . 353 . 1 1 12 DC C5 C 1.723 2.476 37.752 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5 . . . . . . . . . c17791_2lg3 1 . 1 . 354 . 1 1 12 DC C5' C 5.959 -0.840 37.566 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5' . . . . . . . . . c17791_2lg3 1 . 1 . 355 . 1 1 12 DC C6 C 3.036 2.126 37.759 . . . 1.0 . . . . . . . . . . . . A . 12 DC C6 . . . . . . . . . c17791_2lg3 1 . 1 . 356 . 1 1 12 DC H1' H 5.980 3.514 36.973 . . . 1.0 . . . . . . . . . . . . A . 12 DC H1' . . . . . . . . . c17791_2lg3 1 . 1 . 357 . 1 1 12 DC H2' H 5.382 3.076 39.718 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2' . . . . . . . . . c17791_2lg3 1 . 1 . 358 . 1 1 12 DC H2'' H 7.007 3.148 38.988 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 359 . 1 1 12 DC H3' H 5.305 0.738 39.629 . . . 1.0 . . . . . . . . . . . . A . 12 DC H3' . . . . . . . . . c17791_2lg3 1 . 1 . 360 . 1 1 12 DC H4' H 7.434 0.720 37.469 . . . 1.0 . . . . . . . . . . . . A . 12 DC H4' . . . . . . . . . c17791_2lg3 1 . 1 . 361 . 1 1 12 DC H41 H -0.531 3.575 37.289 . . . 1.0 . . . . . . . . . . . . A . 12 DC H41 . . . . . . . . . c17791_2lg3 1 . 1 . 362 . 1 1 12 DC H42 H 0.061 5.223 37.164 . . . 1.0 . . . . . . . . . . . . A . 12 DC H42 . . . . . . . . . c17791_2lg3 1 . 1 . 363 . 1 1 12 DC H5 H 0.963 1.717 37.848 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5 . . . . . . . . . c17791_2lg3 1 . 1 . 364 . 1 1 12 DC H5' H 5.830 -1.053 36.503 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5' . . . . . . . . . c17791_2lg3 1 . 1 . 365 . 1 1 12 DC H5'' H 6.749 -1.486 37.952 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 366 . 1 1 12 DC H6 H 3.345 1.090 37.862 . . . 1.0 . . . . . . . . . . . . A . 12 DC H6 . . . . . . . . . c17791_2lg3 1 . 1 . 367 . 1 1 12 DC HO3' H 7.420 -0.099 40.069 . . . 1.0 . . . . . . . . . . . . A . 12 DC HO3' . . . . . . . . . c17791_2lg3 1 . 1 . 368 . 1 1 12 DC N1 N 4.002 3.086 37.575 . . . 1.0 . . . . . . . . . . . . A . 12 DC N1 . . . . . . . . . c17791_2lg3 1 . 1 . 369 . 1 1 12 DC N3 N 2.329 4.791 37.437 . . . 1.0 . . . . . . . . . . . . A . 12 DC N3 . . . . . . . . . c17791_2lg3 1 . 1 . 370 . 1 1 12 DC N4 N 0.186 4.251 37.442 . . . 1.0 . . . . . . . . . . . . A . 12 DC N4 . . . . . . . . . c17791_2lg3 1 . 1 . 371 . 1 1 12 DC O2 O 4.471 5.323 37.350 . . . 1.0 . . . . . . . . . . . . A . 12 DC O2 . . . . . . . . . c17791_2lg3 1 . 1 . 372 . 1 1 12 DC O3' O 7.365 0.860 40.002 . . . 1.0 . . . . . . . . . . . . A . 12 DC O3' . . . . . . . . . c17791_2lg3 1 . 1 . 373 . 1 1 12 DC O4' O 5.635 1.488 36.913 . . . 1.0 . . . . . . . . . . . . A . 12 DC O4' . . . . . . . . . c17791_2lg3 1 . 1 . 374 . 1 1 12 DC O5' O 4.755 -1.120 38.265 . . . 1.0 . . . . . . . . . . . . A . 12 DC O5' . . . . . . . . . c17791_2lg3 1 . 1 . 375 . 1 1 12 DC OP1 O 5.331 -3.520 38.551 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 376 . 1 1 12 DC OP2 O 3.076 -2.598 39.330 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 377 . 1 1 12 DC P P 4.178 -2.615 38.346 . . . 1.0 . . . . . . . . . . . . A . 12 DC P . . . . . . . . . c17791_2lg3 1 . 1 . 378 . 2 2 1 DG C1' C 1.842 12.326 34.729 . . . 1.0 . . . . . . . . . . . . B . 13 DG C1' . . . . . . . . . c17791_2lg3 1 . 1 . 379 . 2 2 1 DG C2 C 2.995 8.337 36.083 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2 . . . . . . . . . c17791_2lg3 1 . 1 . 380 . 2 2 1 DG C2' C 2.071 12.541 33.234 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2' . . . . . . . . . c17791_2lg3 1 . 1 . 381 . 2 2 1 DG C3' C 2.262 14.057 33.144 . . . 1.0 . . . . . . . . . . . . B . 13 DG C3' . . . . . . . . . c17791_2lg3 1 . 1 . 382 . 2 2 1 DG C4 C 1.523 9.911 35.476 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4 . . . . . . . . . c17791_2lg3 1 . 1 . 383 . 2 2 1 DG C4' C 1.549 14.592 34.393 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4' . . . . . . . . . c17791_2lg3 1 . 1 . 384 . 2 2 1 DG C5 C 0.420 9.139 35.780 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5 . . . . . . . . . c17791_2lg3 1 . 1 . 385 . 2 2 1 DG C5' C 0.311 15.431 34.033 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5' . . . . . . . . . c17791_2lg3 1 . 1 . 386 . 2 2 1 DG C6 C 0.650 7.837 36.356 . . . 1.0 . . . . . . . . . . . . B . 13 DG C6 . . . . . . . . . c17791_2lg3 1 . 1 . 387 . 2 2 1 DG C8 C -0.325 10.985 35.031 . . . 1.0 . . . . . . . . . . . . B . 13 DG C8 . . . . . . . . . c17791_2lg3 1 . 1 . 388 . 2 2 1 DG H1 H 2.208 6.570 36.745 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1 . . . . . . . . . c17791_2lg3 1 . 1 . 389 . 2 2 1 DG H1' H 2.818 12.250 35.218 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1' . . . . . . . . . c17791_2lg3 1 . 1 . 390 . 2 2 1 DG H2' H 1.201 12.232 32.657 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2' . . . . . . . . . c17791_2lg3 1 . 1 . 391 . 2 2 1 DG H2'' H 2.955 12.002 32.899 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 392 . 2 2 1 DG H21 H 4.913 8.417 35.706 . . . 1.0 . . . . . . . . . . . . B . 13 DG H21 . . . . . . . . . c17791_2lg3 1 . 1 . 393 . 2 2 1 DG H22 H 4.369 6.918 36.460 . . . 1.0 . . . . . . . . . . . . B . 13 DG H22 . . . . . . . . . c17791_2lg3 1 . 1 . 394 . 2 2 1 DG H3' H 1.806 14.450 32.233 . . . 1.0 . . . . . . . . . . . . B . 13 DG H3' . . . . . . . . . c17791_2lg3 1 . 1 . 395 . 2 2 1 DG H4' H 2.253 15.207 34.959 . . . 1.0 . . . . . . . . . . . . B . 13 DG H4' . . . . . . . . . c17791_2lg3 1 . 1 . 396 . 2 2 1 DG H5' H 0.630 16.360 33.557 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5' . . . . . . . . . c17791_2lg3 1 . 1 . 397 . 2 2 1 DG H5'' H -0.313 14.869 33.335 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 398 . 2 2 1 DG H8 H -0.981 11.779 34.709 . . . 1.0 . . . . . . . . . . . . B . 13 DG H8 . . . . . . . . . c17791_2lg3 1 . 1 . 399 . 2 2 1 DG HO5' H -0.395 14.910 35.759 . . . 1.0 . . . . . . . . . . . . B . 13 DG HO5' . . . . . . . . . c17791_2lg3 1 . 1 . 400 . 2 2 1 DG N1 N 1.988 7.505 36.435 . . . 1.0 . . . . . . . . . . . . B . 13 DG N1 . . . . . . . . . c17791_2lg3 1 . 1 . 401 . 2 2 1 DG N2 N 4.211 7.886 36.187 . . . 1.0 . . . . . . . . . . . . B . 13 DG N2 . . . . . . . . . c17791_2lg3 1 . 1 . 402 . 2 2 1 DG N3 N 2.838 9.578 35.638 . . . 1.0 . . . . . . . . . . . . B . 13 DG N3 . . . . . . . . . c17791_2lg3 1 . 1 . 403 . 2 2 1 DG N7 N -0.759 9.854 35.514 . . . 1.0 . . . . . . . . . . . . B . 13 DG N7 . . . . . . . . . c17791_2lg3 1 . 1 . 404 . 2 2 1 DG N9 N 1.041 11.116 35.025 . . . 1.0 . . . . . . . . . . . . B . 13 DG N9 . . . . . . . . . c17791_2lg3 1 . 1 . 405 . 2 2 1 DG O3' O 3.623 14.435 33.223 . . . 1.0 . . . . . . . . . . . . B . 13 DG O3' . . . . . . . . . c17791_2lg3 1 . 1 . 406 . 2 2 1 DG O4' O 1.143 13.479 35.177 . . . 1.0 . . . . . . . . . . . . B . 13 DG O4' . . . . . . . . . c17791_2lg3 1 . 1 . 407 . 2 2 1 DG O5' O -0.433 15.718 35.228 . . . 1.0 . . . . . . . . . . . . B . 13 DG O5' . . . . . . . . . c17791_2lg3 1 . 1 . 408 . 2 2 1 DG O6 O -0.153 7.026 36.819 . . . 1.0 . . . . . . . . . . . . B . 13 DG O6 . . . . . . . . . c17791_2lg3 1 . 1 . 409 . 2 2 2 DG C1' C 5.285 9.135 32.282 . . . 1.0 . . . . . . . . . . . . B . 14 DG C1' . . . . . . . . . c17791_2lg3 1 . 1 . 410 . 2 2 2 DG C2 C 3.586 5.346 33.624 . . . 1.0 . . . . . . . . . . . . B . 14 DG C2 . . . . . . . . . c17791_2lg3 1 . 1 . 411 . 2 2 2 DG C2' C 5.703 9.688 30.918 . . . 1.0 . . . . . . . . . . . . B . 14 DG C2' . . . . . . . . . c17791_2lg3 1 . 1 . 412 . 2 2 2 DG C3' C 6.901 10.557 31.302 . . . 1.0 . . . . . . . . . . . . B . 14 DG C3' . . . . . . . . . c17791_2lg3 1 . 1 . 413 . 2 2 2 DG C4 C 3.472 7.424 32.786 . . . 1.0 . . . . . . . . . . . . B . 14 DG C4 . . . . . . . . . c17791_2lg3 1 . 1 . 414 . 2 2 2 DG C4' C 6.503 11.046 32.706 . . . 1.0 . . . . . . . . . . . . B . 14 DG C4' . . . . . . . . . c17791_2lg3 1 . 1 . 415 . 2 2 2 DG C5 C 2.093 7.432 32.721 . . . 1.0 . . . . . . . . . . . . B . 14 DG C5 . . . . . . . . . c17791_2lg3 1 . 1 . 416 . 2 2 2 DG C5' C 6.127 12.539 32.798 . . . 1.0 . . . . . . . . . . . . B . 14 DG C5' . . . . . . . . . c17791_2lg3 1 . 1 . 417 . 2 2 2 DG C6 C 1.395 6.269 33.211 . . . 1.0 . . . . . . . . . . . . B . 14 DG C6 . . . . . . . . . c17791_2lg3 1 . 1 . 418 . 2 2 2 DG C8 C 2.742 9.301 31.941 . . . 1.0 . . . . . . . . . . . . B . 14 DG C8 . . . . . . . . . c17791_2lg3 1 . 1 . 419 . 2 2 2 DG H1 H 1.805 4.378 33.876 . . . 1.0 . . . . . . . . . . . . B . 14 DG H1 . . . . . . . . . c17791_2lg3 1 . 1 . 420 . 2 2 2 DG H1' H 5.965 8.321 32.551 . . . 1.0 . . . . . . . . . . . . B . 14 DG H1' . . . . . . . . . c17791_2lg3 1 . 1 . 421 . 2 2 2 DG H2' H 4.923 10.315 30.489 . . . 1.0 . . . . . . . . . . . . B . 14 DG H2' . . . . . . . . . c17791_2lg3 1 . 1 . 422 . 2 2 2 DG H2'' H 5.972 8.898 30.222 . . . 1.0 . . . . . . . . . . . . B . 14 DG H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 423 . 2 2 2 DG H21 H 5.236 4.310 33.732 . . . 1.0 . . . . . . . . . . . . B . 14 DG H21 . . . . . . . . . c17791_2lg3 1 . 1 . 424 . 2 2 2 DG H22 H 3.781 3.404 34.115 . . . 1.0 . . . . . . . . . . . . B . 14 DG H22 . . . . . . . . . c17791_2lg3 1 . 1 . 425 . 2 2 2 DG H3' H 7.026 11.387 30.604 . . . 1.0 . . . . . . . . . . . . B . 14 DG H3' . . . . . . . . . c17791_2lg3 1 . 1 . 426 . 2 2 2 DG H4' H 7.364 10.890 33.355 . . . 1.0 . . . . . . . . . . . . B . 14 DG H4' . . . . . . . . . c17791_2lg3 1 . 1 . 427 . 2 2 2 DG H5' H 5.780 12.743 33.811 . . . 1.0 . . . . . . . . . . . . B . 14 DG H5' . . . . . . . . . c17791_2lg3 1 . 1 . 428 . 2 2 2 DG H5'' H 7.027 13.130 32.622 . . . 1.0 . . . . . . . . . . . . B . 14 DG H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 429 . 2 2 2 DG H8 H 2.765 10.290 31.508 . . . 1.0 . . . . . . . . . . . . B . 14 DG H8 . . . . . . . . . c17791_2lg3 1 . 1 . 430 . 2 2 2 DG N1 N 2.236 5.258 33.631 . . . 1.0 . . . . . . . . . . . . B . 14 DG N1 . . . . . . . . . c17791_2lg3 1 . 1 . 431 . 2 2 2 DG N2 N 4.264 4.291 33.974 . . . 1.0 . . . . . . . . . . . . B . 14 DG N2 . . . . . . . . . c17791_2lg3 1 . 1 . 432 . 2 2 2 DG N3 N 4.274 6.416 33.245 . . . 1.0 . . . . . . . . . . . . B . 14 DG N3 . . . . . . . . . c17791_2lg3 1 . 1 . 433 . 2 2 2 DG N7 N 1.638 8.648 32.184 . . . 1.0 . . . . . . . . . . . . B . 14 DG N7 . . . . . . . . . c17791_2lg3 1 . 1 . 434 . 2 2 2 DG N9 N 3.888 8.647 32.318 . . . 1.0 . . . . . . . . . . . . B . 14 DG N9 . . . . . . . . . c17791_2lg3 1 . 1 . 435 . 2 2 2 DG O3' O 8.109 9.814 31.426 . . . 1.0 . . . . . . . . . . . . B . 14 DG O3' . . . . . . . . . c17791_2lg3 1 . 1 . 436 . 2 2 2 DG O4' O 5.443 10.222 33.182 . . . 1.0 . . . . . . . . . . . . B . 14 DG O4' . . . . . . . . . c17791_2lg3 1 . 1 . 437 . 2 2 2 DG O5' O 5.130 12.958 31.875 . . . 1.0 . . . . . . . . . . . . B . 14 DG O5' . . . . . . . . . c17791_2lg3 1 . 1 . 438 . 2 2 2 DG O6 O 0.187 6.066 33.327 . . . 1.0 . . . . . . . . . . . . B . 14 DG O6 . . . . . . . . . c17791_2lg3 1 . 1 . 439 . 2 2 2 DG OP1 O 5.676 15.394 32.207 . . . 1.0 . . . . . . . . . . . . B . 14 DG OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 440 . 2 2 2 DG OP2 O 3.690 14.697 30.749 . . . 1.0 . . . . . . . . . . . . B . 14 DG OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 441 . 2 2 2 DG P P 4.565 14.465 31.918 . . . 1.0 . . . . . . . . . . . . B . 14 DG P . . . . . . . . . c17791_2lg3 1 . 1 . 442 . 2 2 3 DA C1' C 6.767 4.422 30.527 . . . 1.0 . . . . . . . . . . . . B . 15 DA C1' . . . . . . . . . c17791_2lg3 1 . 1 . 443 . 2 2 3 DA C2 C 2.836 2.648 31.101 . . . 1.0 . . . . . . . . . . . . B . 15 DA C2 . . . . . . . . . c17791_2lg3 1 . 1 . 444 . 2 2 3 DA C2' C 7.757 4.563 29.364 . . . 1.0 . . . . . . . . . . . . B . 15 DA C2' . . . . . . . . . c17791_2lg3 1 . 1 . 445 . 2 2 3 DA C3' C 9.089 4.628 30.105 . . . 1.0 . . . . . . . . . . . . B . 15 DA C3' . . . . . . . . . c17791_2lg3 1 . 1 . 446 . 2 2 3 DA C4 C 4.238 4.249 30.432 . . . 1.0 . . . . . . . . . . . . B . 15 DA C4 . . . . . . . . . c17791_2lg3 1 . 1 . 447 . 2 2 3 DA C4' C 8.692 5.368 31.390 . . . 1.0 . . . . . . . . . . . . B . 15 DA C4' . . . . . . . . . c17791_2lg3 1 . 1 . 448 . 2 2 3 DA C5 C 3.239 5.069 29.985 . . . 1.0 . . . . . . . . . . . . B . 15 DA C5 . . . . . . . . . c17791_2lg3 1 . 1 . 449 . 2 2 3 DA C5' C 9.047 6.868 31.402 . . . 1.0 . . . . . . . . . . . . B . 15 DA C5' . . . . . . . . . c17791_2lg3 1 . 1 . 450 . 2 2 3 DA C6 C 1.941 4.534 30.181 . . . 1.0 . . . . . . . . . . . . B . 15 DA C6 . . . . . . . . . c17791_2lg3 1 . 1 . 451 . 2 2 3 DA C8 C 5.051 6.112 29.623 . . . 1.0 . . . . . . . . . . . . B . 15 DA C8 . . . . . . . . . c17791_2lg3 1 . 1 . 452 . 2 2 3 DA H1' H 6.715 3.365 30.815 . . . 1.0 . . . . . . . . . . . . B . 15 DA H1' . . . . . . . . . c17791_2lg3 1 . 1 . 453 . 2 2 3 DA H2 H 2.654 1.677 31.544 . . . 1.0 . . . . . . . . . . . . B . 15 DA H2 . . . . . . . . . c17791_2lg3 1 . 1 . 454 . 2 2 3 DA H2' H 7.607 5.493 28.818 . . . 1.0 . . . . . . . . . . . . B . 15 DA H2' . . . . . . . . . c17791_2lg3 1 . 1 . 455 . 2 2 3 DA H2'' H 7.707 3.720 28.679 . . . 1.0 . . . . . . . . . . . . B . 15 DA H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 456 . 2 2 3 DA H3' H 9.832 5.187 29.533 . . . 1.0 . . . . . . . . . . . . B . 15 DA H3' . . . . . . . . . c17791_2lg3 1 . 1 . 457 . 2 2 3 DA H4' H 9.226 4.898 32.216 . . . 1.0 . . . . . . . . . . . . B . 15 DA H4' . . . . . . . . . c17791_2lg3 1 . 1 . 458 . 2 2 3 DA H5' H 8.679 7.299 32.333 . . . 1.0 . . . . . . . . . . . . B . 15 DA H5' . . . . . . . . . c17791_2lg3 1 . 1 . 459 . 2 2 3 DA H5'' H 10.135 6.955 31.394 . . . 1.0 . . . . . . . . . . . . B . 15 DA H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 460 . 2 2 3 DA H61 H 0.851 6.050 29.443 . . . 1.0 . . . . . . . . . . . . B . 15 DA H61 . . . . . . . . . c17791_2lg3 1 . 1 . 461 . 2 2 3 DA H62 H -0.061 4.697 30.113 . . . 1.0 . . . . . . . . . . . . B . 15 DA H62 . . . . . . . . . c17791_2lg3 1 . 1 . 462 . 2 2 3 DA H8 H 5.785 6.858 29.341 . . . 1.0 . . . . . . . . . . . . B . 15 DA H8 . . . . . . . . . c17791_2lg3 1 . 1 . 463 . 2 2 3 DA N1 N 1.763 3.335 30.736 . . . 1.0 . . . . . . . . . . . . B . 15 DA N1 . . . . . . . . . c17791_2lg3 1 . 1 . 464 . 2 2 3 DA N3 N 4.106 3.018 30.999 . . . 1.0 . . . . . . . . . . . . B . 15 DA N3 . . . . . . . . . c17791_2lg3 1 . 1 . 465 . 2 2 3 DA N6 N 0.816 5.149 29.877 . . . 1.0 . . . . . . . . . . . . B . 15 DA N6 . . . . . . . . . c17791_2lg3 1 . 1 . 466 . 2 2 3 DA N7 N 3.761 6.265 29.451 . . . 1.0 . . . . . . . . . . . . B . 15 DA N7 . . . . . . . . . c17791_2lg3 1 . 1 . 467 . 2 2 3 DA N9 N 5.414 4.920 30.200 . . . 1.0 . . . . . . . . . . . . B . 15 DA N9 . . . . . . . . . c17791_2lg3 1 . 1 . 468 . 2 2 3 DA O3' O 9.594 3.348 30.465 . . . 1.0 . . . . . . . . . . . . B . 15 DA O3' . . . . . . . . . c17791_2lg3 1 . 1 . 469 . 2 2 3 DA O4' O 7.296 5.185 31.601 . . . 1.0 . . . . . . . . . . . . B . 15 DA O4' . . . . . . . . . c17791_2lg3 1 . 1 . 470 . 2 2 3 DA O5' O 8.526 7.621 30.312 . . . 1.0 . . . . . . . . . . . . B . 15 DA O5' . . . . . . . . . c17791_2lg3 1 . 1 . 471 . 2 2 3 DA OP1 O 10.339 9.356 30.411 . . . 1.0 . . . . . . . . . . . . B . 15 DA OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 472 . 2 2 3 DA OP2 O 8.284 9.703 28.920 . . . 1.0 . . . . . . . . . . . . B . 15 DA OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 473 . 2 2 3 DA P P 8.891 9.185 30.164 . . . 1.0 . . . . . . . . . . . . B . 15 DA P . . . . . . . . . c17791_2lg3 1 . 1 . 474 . 2 2 4 DC C1' C 5.131 0.152 28.439 . . . 1.0 . . . . . . . . . . . . B . 16 DC C1' . . . . . . . . . c17791_2lg3 1 . 1 . 475 . 2 2 4 DC C2 C 2.928 1.149 27.767 . . . 1.0 . . . . . . . . . . . . B . 16 DC C2 . . . . . . . . . c17791_2lg3 1 . 1 . 476 . 2 2 4 DC C2' C 6.090 -0.466 27.413 . . . 1.0 . . . . . . . . . . . . B . 16 DC C2' . . . . . . . . . c17791_2lg3 1 . 1 . 477 . 2 2 4 DC C3' C 7.195 -1.062 28.293 . . . 1.0 . . . . . . . . . . . . B . 16 DC C3' . . . . . . . . . c17791_2lg3 1 . 1 . 478 . 2 2 4 DC C4 C 2.782 3.322 27.041 . . . 1.0 . . . . . . . . . . . . B . 16 DC C4 . . . . . . . . . c17791_2lg3 1 . 1 . 479 . 2 2 4 DC C4' C 7.083 -0.243 29.590 . . . 1.0 . . . . . . . . . . . . B . 16 DC C4' . . . . . . . . . c17791_2lg3 1 . 1 . 480 . 2 2 4 DC C5 C 4.189 3.512 27.123 . . . 1.0 . . . . . . . . . . . . B . 16 DC C5 . . . . . . . . . c17791_2lg3 1 . 1 . 481 . 2 2 4 DC C5' C 8.364 0.503 30.018 . . . 1.0 . . . . . . . . . . . . B . 16 DC C5' . . . . . . . . . c17791_2lg3 1 . 1 . 482 . 2 2 4 DC C6 C 4.930 2.458 27.557 . . . 1.0 . . . . . . . . . . . . B . 16 DC C6 . . . . . . . . . c17791_2lg3 1 . 1 . 483 . 2 2 4 DC H1' H 4.488 -0.634 28.852 . . . 1.0 . . . . . . . . . . . . B . 16 DC H1' . . . . . . . . . c17791_2lg3 1 . 1 . 484 . 2 2 4 DC H2' H 6.525 0.296 26.769 . . . 1.0 . . . . . . . . . . . . B . 16 DC H2' . . . . . . . . . c17791_2lg3 1 . 1 . 485 . 2 2 4 DC H2'' H 5.600 -1.226 26.809 . . . 1.0 . . . . . . . . . . . . B . 16 DC H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 486 . 2 2 4 DC H3' H 8.178 -0.929 27.833 . . . 1.0 . . . . . . . . . . . . B . 16 DC H3' . . . . . . . . . c17791_2lg3 1 . 1 . 487 . 2 2 4 DC H4' H 6.831 -0.943 30.387 . . . 1.0 . . . . . . . . . . . . B . 16 DC H4' . . . . . . . . . c17791_2lg3 1 . 1 . 488 . 2 2 4 DC H41 H 2.364 5.202 26.508 . . . 1.0 . . . . . . . . . . . . B . 16 DC H41 . . . . . . . . . c17791_2lg3 1 . 1 . 489 . 2 2 4 DC H42 H 0.998 4.102 26.726 . . . 1.0 . . . . . . . . . . . . B . 16 DC H42 . . . . . . . . . c17791_2lg3 1 . 1 . 490 . 2 2 4 DC H5 H 4.663 4.452 26.895 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5 . . . . . . . . . c17791_2lg3 1 . 1 . 491 . 2 2 4 DC H5' H 8.141 1.060 30.929 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5' . . . . . . . . . c17791_2lg3 1 . 1 . 492 . 2 2 4 DC H5'' H 9.128 -0.239 30.255 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 493 . 2 2 4 DC H6 H 6.005 2.533 27.682 . . . 1.0 . . . . . . . . . . . . B . 16 DC H6 . . . . . . . . . c17791_2lg3 1 . 1 . 494 . 2 2 4 DC N1 N 4.319 1.274 27.890 . . . 1.0 . . . . . . . . . . . . B . 16 DC N1 . . . . . . . . . c17791_2lg3 1 . 1 . 495 . 2 2 4 DC N3 N 2.181 2.196 27.344 . . . 1.0 . . . . . . . . . . . . B . 16 DC N3 . . . . . . . . . c17791_2lg3 1 . 1 . 496 . 2 2 4 DC N4 N 1.997 4.297 26.691 . . . 1.0 . . . . . . . . . . . . B . 16 DC N4 . . . . . . . . . c17791_2lg3 1 . 1 . 497 . 2 2 4 DC O2 O 2.337 0.103 28.017 . . . 1.0 . . . . . . . . . . . . B . 16 DC O2 . . . . . . . . . c17791_2lg3 1 . 1 . 498 . 2 2 4 DC O3' O 6.955 -2.433 28.587 . . . 1.0 . . . . . . . . . . . . B . 16 DC O3' . . . . . . . . . c17791_2lg3 1 . 1 . 499 . 2 2 4 DC O4' O 5.991 0.653 29.447 . . . 1.0 . . . . . . . . . . . . B . 16 DC O4' . . . . . . . . . c17791_2lg3 1 . 1 . 500 . 2 2 4 DC O5' O 8.890 1.403 29.047 . . . 1.0 . . . . . . . . . . . . B . 16 DC O5' . . . . . . . . . c17791_2lg3 1 . 1 . 501 . 2 2 4 DC OP1 O 11.195 1.482 30.077 . . . 1.0 . . . . . . . . . . . . B . 16 DC OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 502 . 2 2 4 DC OP2 O 10.566 3.074 28.175 . . . 1.0 . . . . . . . . . . . . B . 16 DC OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 503 . 2 2 4 DC P P 10.184 2.308 29.381 . . . 1.0 . . . . . . . . . . . . B . 16 DC P . . . . . . . . . c17791_2lg3 1 . 1 . 504 . 2 2 5 DT C1' C 2.191 -3.589 25.561 . . . 1.0 . . . . . . . . . . . . B . 17 DT C1' . . . . . . . . . c17791_2lg3 1 . 1 . 505 . 2 2 5 DT C2 C 0.662 -1.673 25.193 . . . 1.0 . . . . . . . . . . . . B . 17 DT C2 . . . . . . . . . c17791_2lg3 1 . 1 . 506 . 2 2 5 DT C2' C 3.143 -4.307 24.597 . . . 1.0 . . . . . . . . . . . . B . 17 DT C2' . . . . . . . . . c17791_2lg3 1 . 1 . 507 . 2 2 5 DT C3' C 3.658 -5.478 25.430 . . . 1.0 . . . . . . . . . . . . B . 17 DT C3' . . . . . . . . . c17791_2lg3 1 . 1 . 508 . 2 2 5 DT C4 C 1.484 0.512 24.454 . . . 1.0 . . . . . . . . . . . . B . 17 DT C4 . . . . . . . . . c17791_2lg3 1 . 1 . 509 . 2 2 5 DT C4' C 3.500 -4.948 26.873 . . . 1.0 . . . . . . . . . . . . B . 17 DT C4' . . . . . . . . . c17791_2lg3 1 . 1 . 510 . 2 2 5 DT C5 C 2.843 -0.022 24.575 . . . 1.0 . . . . . . . . . . . . B . 17 DT C5 . . . . . . . . . c17791_2lg3 1 . 1 . 511 . 2 2 5 DT C5' C 4.827 -4.718 27.628 . . . 1.0 . . . . . . . . . . . . B . 17 DT C5' . . . . . . . . . c17791_2lg3 1 . 1 . 512 . 2 2 5 DT C6 C 3.046 -1.306 24.978 . . . 1.0 . . . . . . . . . . . . B . 17 DT C6 . . . . . . . . . c17791_2lg3 1 . 1 . 513 . 2 2 5 DT C7 C 4.043 0.854 24.256 . . . 1.0 . . . . . . . . . . . . B . 17 DT C7 . . . . . . . . . c17791_2lg3 1 . 1 . 514 . 2 2 5 DT H1' H 1.236 -4.124 25.561 . . . 1.0 . . . . . . . . . . . . B . 17 DT H1' . . . . . . . . . c17791_2lg3 1 . 1 . 515 . 2 2 5 DT H2' H 3.989 -3.683 24.335 . . . 1.0 . . . . . . . . . . . . B . 17 DT H2' . . . . . . . . . c17791_2lg3 1 . 1 . 516 . 2 2 5 DT H2'' H 2.619 -4.635 23.701 . . . 1.0 . . . . . . . . . . . . B . 17 DT H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 517 . 2 2 5 DT H3 H -0.462 -0.019 24.787 . . . 1.0 . . . . . . . . . . . . B . 17 DT H3 . . . . . . . . . c17791_2lg3 1 . 1 . 518 . 2 2 5 DT H3' H 4.710 -5.677 25.219 . . . 1.0 . . . . . . . . . . . . B . 17 DT H3' . . . . . . . . . c17791_2lg3 1 . 1 . 519 . 2 2 5 DT H4' H 2.908 -5.672 27.432 . . . 1.0 . . . . . . . . . . . . B . 17 DT H4' . . . . . . . . . c17791_2lg3 1 . 1 . 520 . 2 2 5 DT H5' H 4.606 -4.235 28.582 . . . 1.0 . . . . . . . . . . . . B . 17 DT H5' . . . . . . . . . c17791_2lg3 1 . 1 . 521 . 2 2 5 DT H5'' H 5.277 -5.690 27.835 . . . 1.0 . . . . . . . . . . . . B . 17 DT H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 522 . 2 2 5 DT H6 H 4.053 -1.682 25.107 . . . 1.0 . . . . . . . . . . . . B . 17 DT H6 . . . . . . . . . c17791_2lg3 1 . 1 . 523 . 2 2 5 DT H71 H 4.979 0.343 24.481 . . . 1.0 . . . . . . . . . . . . B . 17 DT H71 . . . . . . . . . c17791_2lg3 1 . 1 . 524 . 2 2 5 DT H72 H 4.020 1.122 23.201 . . . 1.0 . . . . . . . . . . . . B . 17 DT H72 . . . . . . . . . c17791_2lg3 1 . 1 . 525 . 2 2 5 DT H73 H 3.982 1.772 24.837 . . . 1.0 . . . . . . . . . . . . B . 17 DT H73 . . . . . . . . . c17791_2lg3 1 . 1 . 526 . 2 2 5 DT N1 N 1.980 -2.146 25.246 . . . 1.0 . . . . . . . . . . . . B . 17 DT N1 . . . . . . . . . c17791_2lg3 1 . 1 . 527 . 2 2 5 DT N3 N 0.487 -0.365 24.810 . . . 1.0 . . . . . . . . . . . . B . 17 DT N3 . . . . . . . . . c17791_2lg3 1 . 1 . 528 . 2 2 5 DT O2 O -0.324 -2.365 25.426 . . . 1.0 . . . . . . . . . . . . B . 17 DT O2 . . . . . . . . . c17791_2lg3 1 . 1 . 529 . 2 2 5 DT O3' O 2.867 -6.638 25.183 . . . 1.0 . . . . . . . . . . . . B . 17 DT O3' . . . . . . . . . c17791_2lg3 1 . 1 . 530 . 2 2 5 DT O4 O 1.167 1.631 24.061 . . . 1.0 . . . . . . . . . . . . B . 17 DT O4 . . . . . . . . . c17791_2lg3 1 . 1 . 531 . 2 2 5 DT O4' O 2.785 -3.720 26.833 . . . 1.0 . . . . . . . . . . . . B . 17 DT O4' . . . . . . . . . c17791_2lg3 1 . 1 . 532 . 2 2 5 DT O5' O 5.765 -3.924 26.908 . . . 1.0 . . . . . . . . . . . . B . 17 DT O5' . . . . . . . . . c17791_2lg3 1 . 1 . 533 . 2 2 5 DT OP1 O 7.696 -4.794 28.268 . . . 1.0 . . . . . . . . . . . . B . 17 DT OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 534 . 2 2 5 DT OP2 O 8.063 -3.060 26.428 . . . 1.0 . . . . . . . . . . . . B . 17 DT OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 535 . 2 2 5 DT P P 7.229 -3.608 27.517 . . . 1.0 . . . . . . . . . . . . B . 17 DT P . . . . . . . . . c17791_2lg3 1 . 1 . 536 . 2 2 6 DT C1' C 2.264 -4.447 20.177 . . . 1.0 . . . . . . . . . . . . B . 18 DT C1' . . . . . . . . . c17791_2lg3 1 . 1 . 537 . 2 2 6 DT C2 C 3.131 -2.143 20.523 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2 . . . . . . . . . c17791_2lg3 1 . 1 . 538 . 2 2 6 DT C2' C 2.941 -5.546 19.336 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2' . . . . . . . . . c17791_2lg3 1 . 1 . 539 . 2 2 6 DT C3' C 2.243 -6.853 19.718 . . . 1.0 . . . . . . . . . . . . B . 18 DT C3' . . . . . . . . . c17791_2lg3 1 . 1 . 540 . 2 2 6 DT C4 C 5.253 -1.737 21.673 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4 . . . . . . . . . c17791_2lg3 1 . 1 . 541 . 2 2 6 DT C4' C 1.355 -6.453 20.912 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4' . . . . . . . . . c17791_2lg3 1 . 1 . 542 . 2 2 6 DT C5 C 5.312 -3.174 21.958 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5 . . . . . . . . . c17791_2lg3 1 . 1 . 543 . 2 2 6 DT C5' C 1.634 -7.261 22.191 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5' . . . . . . . . . c17791_2lg3 1 . 1 . 544 . 2 2 6 DT C6 C 4.316 -3.997 21.533 . . . 1.0 . . . . . . . . . . . . B . 18 DT C6 . . . . . . . . . c17791_2lg3 1 . 1 . 545 . 2 2 6 DT C7 C 6.466 -3.774 22.750 . . . 1.0 . . . . . . . . . . . . B . 18 DT C7 . . . . . . . . . c17791_2lg3 1 . 1 . 546 . 2 2 6 DT H1' H 1.549 -3.905 19.545 . . . 1.0 . . . . . . . . . . . . B . 18 DT H1' . . . . . . . . . c17791_2lg3 1 . 1 . 547 . 2 2 6 DT H2' H 4.006 -5.634 19.537 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2' . . . . . . . . . c17791_2lg3 1 . 1 . 548 . 2 2 6 DT H2'' H 2.810 -5.324 18.276 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 549 . 2 2 6 DT H3 H 4.016 -0.347 20.839 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3 . . . . . . . . . c17791_2lg3 1 . 1 . 550 . 2 2 6 DT H3' H 2.976 -7.603 20.024 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3' . . . . . . . . . c17791_2lg3 1 . 1 . 551 . 2 2 6 DT H4' H 0.312 -6.597 20.628 . . . 1.0 . . . . . . . . . . . . B . 18 DT H4' . . . . . . . . . c17791_2lg3 1 . 1 . 552 . 2 2 6 DT H5' H 0.961 -6.901 22.967 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5' . . . . . . . . . c17791_2lg3 1 . 1 . 553 . 2 2 6 DT H5'' H 1.409 -8.312 21.998 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 554 . 2 2 6 DT H6 H 4.334 -5.054 21.789 . . . 1.0 . . . . . . . . . . . . B . 18 DT H6 . . . . . . . . . c17791_2lg3 1 . 1 . 555 . 2 2 6 DT H71 H 7.086 -2.985 23.176 . . . 1.0 . . . . . . . . . . . . B . 18 DT H71 . . . . . . . . . c17791_2lg3 1 . 1 . 556 . 2 2 6 DT H72 H 6.090 -4.381 23.573 . . . 1.0 . . . . . . . . . . . . B . 18 DT H72 . . . . . . . . . c17791_2lg3 1 . 1 . 557 . 2 2 6 DT H73 H 7.085 -4.389 22.099 . . . 1.0 . . . . . . . . . . . . B . 18 DT H73 . . . . . . . . . c17791_2lg3 1 . 1 . 558 . 2 2 6 DT N1 N 3.257 -3.513 20.783 . . . 1.0 . . . . . . . . . . . . B . 18 DT N1 . . . . . . . . . c17791_2lg3 1 . 1 . 559 . 2 2 6 DT N3 N 4.128 -1.328 20.999 . . . 1.0 . . . . . . . . . . . . B . 18 DT N3 . . . . . . . . . c17791_2lg3 1 . 1 . 560 . 2 2 6 DT O2 O 2.211 -1.634 19.896 . . . 1.0 . . . . . . . . . . . . B . 18 DT O2 . . . . . . . . . c17791_2lg3 1 . 1 . 561 . 2 2 6 DT O3' O 1.542 -7.279 18.555 . . . 1.0 . . . . . . . . . . . . B . 18 DT O3' . . . . . . . . . c17791_2lg3 1 . 1 . 562 . 2 2 6 DT O4 O 6.084 -0.882 21.960 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4 . . . . . . . . . c17791_2lg3 1 . 1 . 563 . 2 2 6 DT O4' O 1.553 -5.081 21.218 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4' . . . . . . . . . c17791_2lg3 1 . 1 . 564 . 2 2 6 DT O5' O 2.963 -7.157 22.683 . . . 1.0 . . . . . . . . . . . . B . 18 DT O5' . . . . . . . . . c17791_2lg3 1 . 1 . 565 . 2 2 6 DT OP1 O 2.483 -8.969 24.358 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 566 . 2 2 6 DT OP2 O 4.800 -7.911 24.198 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 567 . 2 2 6 DT P P 3.331 -7.780 24.126 . . . 1.0 . . . . . . . . . . . . B . 18 DT P . . . . . . . . . c17791_2lg3 1 . 1 . 568 . 2 2 7 DG C1' C -3.161 -5.616 18.865 . . . 1.0 . . . . . . . . . . . . B . 19 DG C1' . . . . . . . . . c17791_2lg3 1 . 1 . 569 . 2 2 7 DG C2 C -3.619 -1.580 17.261 . . . 1.0 . . . . . . . . . . . . B . 19 DG C2 . . . . . . . . . c17791_2lg3 1 . 1 . 570 . 2 2 7 DG C2' C -3.707 -6.500 17.740 . . . 1.0 . . . . . . . . . . . . B . 19 DG C2' . . . . . . . . . c17791_2lg3 1 . 1 . 571 . 2 2 7 DG C3' C -3.718 -7.935 18.267 . . . 1.0 . . . . . . . . . . . . B . 19 DG C3' . . . . . . . . . c17791_2lg3 1 . 1 . 572 . 2 2 7 DG C4 C -2.445 -3.404 17.828 . . . 1.0 . . . . . . . . . . . . B . 19 DG C4 . . . . . . . . . c17791_2lg3 1 . 1 . 573 . 2 2 7 DG C4' C -2.888 -7.822 19.561 . . . 1.0 . . . . . . . . . . . . B . 19 DG C4' . . . . . . . . . c17791_2lg3 1 . 1 . 574 . 2 2 7 DG C5 C -1.244 -2.892 17.380 . . . 1.0 . . . . . . . . . . . . B . 19 DG C5 . . . . . . . . . c17791_2lg3 1 . 1 . 575 . 2 2 7 DG C5' C -1.580 -8.634 19.528 . . . 1.0 . . . . . . . . . . . . B . 19 DG C5' . . . . . . . . . c17791_2lg3 1 . 1 . 576 . 2 2 7 DG C6 C -1.242 -1.544 16.865 . . . 1.0 . . . . . . . . . . . . B . 19 DG C6 . . . . . . . . . c17791_2lg3 1 . 1 . 577 . 2 2 7 DG C8 C -0.839 -4.873 18.051 . . . 1.0 . . . . . . . . . . . . B . 19 DG C8 . . . . . . . . . c17791_2lg3 1 . 1 . 578 . 2 2 7 DG H1 H -2.557 -0.033 16.456 . . . 1.0 . . . . . . . . . . . . B . 19 DG H1 . . . . . . . . . c17791_2lg3 1 . 1 . 579 . 2 2 7 DG H1' H -3.981 -5.058 19.327 . . . 1.0 . . . . . . . . . . . . B . 19 DG H1' . . . . . . . . . c17791_2lg3 1 . 1 . 580 . 2 2 7 DG H2' H -3.049 -6.459 16.877 . . . 1.0 . . . . . . . . . . . . B . 19 DG H2' . . . . . . . . . c17791_2lg3 1 . 1 . 581 . 2 2 7 DG H2'' H -4.700 -6.158 17.463 . . . 1.0 . . . . . . . . . . . . B . 19 DG H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 582 . 2 2 7 DG H21 H -5.581 -1.415 17.358 . . . 1.0 . . . . . . . . . . . . B . 19 DG H21 . . . . . . . . . c17791_2lg3 1 . 1 . 583 . 2 2 7 DG H22 H -4.753 -0.019 16.661 . . . 1.0 . . . . . . . . . . . . B . 19 DG H22 . . . . . . . . . c17791_2lg3 1 . 1 . 584 . 2 2 7 DG H3' H -3.216 -8.598 17.559 . . . 1.0 . . . . . . . . . . . . B . 19 DG H3' . . . . . . . . . c17791_2lg3 1 . 1 . 585 . 2 2 7 DG H4' H -3.499 -8.192 20.383 . . . 1.0 . . . . . . . . . . . . B . 19 DG H4' . . . . . . . . . c17791_2lg3 1 . 1 . 586 . 2 2 7 DG H5' H -1.050 -8.466 20.464 . . . 1.0 . . . . . . . . . . . . B . 19 DG H5' . . . . . . . . . c17791_2lg3 1 . 1 . 587 . 2 2 7 DG H5'' H -1.822 -9.694 19.451 . . . 1.0 . . . . . . . . . . . . B . 19 DG H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 588 . 2 2 7 DG H8 H -0.353 -5.812 18.277 . . . 1.0 . . . . . . . . . . . . B . 19 DG H8 . . . . . . . . . c17791_2lg3 1 . 1 . 589 . 2 2 7 DG N1 N -2.491 -0.960 16.848 . . . 1.0 . . . . . . . . . . . . B . 19 DG N1 . . . . . . . . . c17791_2lg3 1 . 1 . 590 . 2 2 7 DG N2 N -4.742 -0.944 17.092 . . . 1.0 . . . . . . . . . . . . B . 19 DG N2 . . . . . . . . . c17791_2lg3 1 . 1 . 591 . 2 2 7 DG N3 N -3.672 -2.800 17.788 . . . 1.0 . . . . . . . . . . . . B . 19 DG N3 . . . . . . . . . c17791_2lg3 1 . 1 . 592 . 2 2 7 DG N7 N -0.227 -3.853 17.508 . . . 1.0 . . . . . . . . . . . . B . 19 DG N7 . . . . . . . . . c17791_2lg3 1 . 1 . 593 . 2 2 7 DG N9 N -2.169 -4.662 18.313 . . . 1.0 . . . . . . . . . . . . B . 19 DG N9 . . . . . . . . . c17791_2lg3 1 . 1 . 594 . 2 2 7 DG O3' O -5.047 -8.396 18.519 . . . 1.0 . . . . . . . . . . . . B . 19 DG O3' . . . . . . . . . c17791_2lg3 1 . 1 . 595 . 2 2 7 DG O4' O -2.568 -6.463 19.832 . . . 1.0 . . . . . . . . . . . . B . 19 DG O4' . . . . . . . . . c17791_2lg3 1 . 1 . 596 . 2 2 7 DG O5' O -0.734 -8.279 18.442 . . . 1.0 . . . . . . . . . . . . B . 19 DG O5' . . . . . . . . . c17791_2lg3 1 . 1 . 597 . 2 2 7 DG O6 O -0.307 -0.865 16.440 . . . 1.0 . . . . . . . . . . . . B . 19 DG O6 . . . . . . . . . c17791_2lg3 1 . 1 . 598 . 2 2 7 DG OP1 O 1.116 -9.525 19.600 . . . 1.0 . . . . . . . . . . . . B . 19 DG OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 599 . 2 2 7 DG OP2 O 1.126 -9.240 17.061 . . . 1.0 . . . . . . . . . . . . B . 19 DG OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 600 . 2 2 7 DG P P 0.818 -8.711 18.405 . . . 1.0 . . . . . . . . . . . . B . 19 DG P . . . . . . . . . c17791_2lg3 1 . 1 . 601 . 2 2 8 DC C1' C -5.897 -4.451 14.331 . . . 1.0 . . . . . . . . . . . . B . 20 DC C1' . . . . . . . . . c17791_2lg3 1 . 1 . 602 . 2 2 8 DC C2 C -4.006 -2.904 13.751 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2 . . . . . . . . . c17791_2lg3 1 . 1 . 603 . 2 2 8 DC C2' C -6.414 -5.551 13.393 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2' . . . . . . . . . c17791_2lg3 1 . 1 . 604 . 2 2 8 DC C3' C -7.617 -6.137 14.145 . . . 1.0 . . . . . . . . . . . . B . 20 DC C3' . . . . . . . . . c17791_2lg3 1 . 1 . 605 . 2 2 8 DC C4 C -1.814 -3.548 14.012 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4 . . . . . . . . . c17791_2lg3 1 . 1 . 606 . 2 2 8 DC C4' C -7.324 -5.745 15.606 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4' . . . . . . . . . c17791_2lg3 1 . 1 . 607 . 2 2 8 DC C5 C -2.189 -4.857 14.428 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5 . . . . . . . . . c17791_2lg3 1 . 1 . 608 . 2 2 8 DC C5' C -7.267 -6.921 16.610 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5' . . . . . . . . . c17791_2lg3 1 . 1 . 609 . 2 2 8 DC C6 C -3.515 -5.131 14.494 . . . 1.0 . . . . . . . . . . . . B . 20 DC C6 . . . . . . . . . c17791_2lg3 1 . 1 . 610 . 2 2 8 DC H1' H -6.487 -3.541 14.173 . . . 1.0 . . . . . . . . . . . . B . 20 DC H1' . . . . . . . . . c17791_2lg3 1 . 1 . 611 . 2 2 8 DC H2' H -5.669 -6.332 13.255 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2' . . . . . . . . . c17791_2lg3 1 . 1 . 612 . 2 2 8 DC H2'' H -6.698 -5.141 12.430 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 613 . 2 2 8 DC H3' H -7.650 -7.224 14.036 . . . 1.0 . . . . . . . . . . . . B . 20 DC H3' . . . . . . . . . c17791_2lg3 1 . 1 . 614 . 2 2 8 DC H4' H -8.135 -5.090 15.923 . . . 1.0 . . . . . . . . . . . . B . 20 DC H4' . . . . . . . . . c17791_2lg3 1 . 1 . 615 . 2 2 8 DC H41 H 0.122 -3.789 14.406 . . . 1.0 . . . . . . . . . . . . B . 20 DC H41 . . . . . . . . . c17791_2lg3 1 . 1 . 616 . 2 2 8 DC H42 H -0.347 -2.240 13.725 . . . 1.0 . . . . . . . . . . . . B . 20 DC H42 . . . . . . . . . c17791_2lg3 1 . 1 . 617 . 2 2 8 DC H5 H -1.461 -5.604 14.701 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5 . . . . . . . . . c17791_2lg3 1 . 1 . 618 . 2 2 8 DC H5' H -7.082 -6.511 17.604 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5' . . . . . . . . . c17791_2lg3 1 . 1 . 619 . 2 2 8 DC H5'' H -8.244 -7.405 16.624 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 620 . 2 2 8 DC H6 H -3.873 -6.101 14.824 . . . 1.0 . . . . . . . . . . . . B . 20 DC H6 . . . . . . . . . c17791_2lg3 1 . 1 . 621 . 2 2 8 DC N1 N -4.440 -4.169 14.176 . . . 1.0 . . . . . . . . . . . . B . 20 DC N1 . . . . . . . . . c17791_2lg3 1 . 1 . 622 . 2 2 8 DC N3 N -2.683 -2.622 13.673 . . . 1.0 . . . . . . . . . . . . B . 20 DC N3 . . . . . . . . . c17791_2lg3 1 . 1 . 623 . 2 2 8 DC N4 N -0.562 -3.204 13.973 . . . 1.0 . . . . . . . . . . . . B . 20 DC N4 . . . . . . . . . c17791_2lg3 1 . 1 . 624 . 2 2 8 DC O2 O -4.793 -2.021 13.421 . . . 1.0 . . . . . . . . . . . . B . 20 DC O2 . . . . . . . . . c17791_2lg3 1 . 1 . 625 . 2 2 8 DC O3' O -8.856 -5.553 13.749 . . . 1.0 . . . . . . . . . . . . B . 20 DC O3' . . . . . . . . . c17791_2lg3 1 . 1 . 626 . 2 2 8 DC O4' O -6.131 -4.971 15.628 . . . 1.0 . . . . . . . . . . . . B . 20 DC O4' . . . . . . . . . c17791_2lg3 1 . 1 . 627 . 2 2 8 DC O5' O -6.280 -7.910 16.327 . . . 1.0 . . . . . . . . . . . . B . 20 DC O5' . . . . . . . . . c17791_2lg3 1 . 1 . 628 . 2 2 8 DC OP1 O -7.229 -9.528 18.010 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 629 . 2 2 8 DC OP2 O -5.130 -10.117 16.689 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 630 . 2 2 8 DC P P -5.959 -9.103 17.376 . . . 1.0 . . . . . . . . . . . . B . 20 DC P . . . . . . . . . c17791_2lg3 1 . 1 . 631 . 2 2 9 DT C1' C -6.307 -2.069 9.980 . . . 1.0 . . . . . . . . . . . . B . 21 DT C1' . . . . . . . . . c17791_2lg3 1 . 1 . 632 . 2 2 9 DT C2 C -3.845 -1.761 9.884 . . . 1.0 . . . . . . . . . . . . B . 21 DT C2 . . . . . . . . . c17791_2lg3 1 . 1 . 633 . 2 2 9 DT C2' C -7.002 -2.604 8.723 . . . 1.0 . . . . . . . . . . . . B . 21 DT C2' . . . . . . . . . c17791_2lg3 1 . 1 . 634 . 2 2 9 DT C3' C -8.486 -2.716 9.105 . . . 1.0 . . . . . . . . . . . . B . 21 DT C3' . . . . . . . . . c17791_2lg3 1 . 1 . 635 . 2 2 9 DT C4 C -2.315 -3.627 10.280 . . . 1.0 . . . . . . . . . . . . B . 21 DT C4 . . . . . . . . . c17791_2lg3 1 . 1 . 636 . 2 2 9 DT C4' C -8.471 -2.458 10.624 . . . 1.0 . . . . . . . . . . . . B . 21 DT C4' . . . . . . . . . c17791_2lg3 1 . 1 . 637 . 2 2 9 DT C5 C -3.490 -4.470 10.506 . . . 1.0 . . . . . . . . . . . . B . 21 DT C5 . . . . . . . . . c17791_2lg3 1 . 1 . 638 . 2 2 9 DT C5' C -9.331 -3.413 11.479 . . . 1.0 . . . . . . . . . . . . B . 21 DT C5' . . . . . . . . . c17791_2lg3 1 . 1 . 639 . 2 2 9 DT C6 C -4.741 -3.943 10.426 . . . 1.0 . . . . . . . . . . . . B . 21 DT C6 . . . . . . . . . c17791_2lg3 1 . 1 . 640 . 2 2 9 DT C7 C -3.328 -5.947 10.818 . . . 1.0 . . . . . . . . . . . . B . 21 DT C7 . . . . . . . . . c17791_2lg3 1 . 1 . 641 . 2 2 9 DT H1' H -6.283 -0.974 9.944 . . . 1.0 . . . . . . . . . . . . B . 21 DT H1' . . . . . . . . . c17791_2lg3 1 . 1 . 642 . 2 2 9 DT H2' H -6.631 -3.589 8.449 . . . 1.0 . . . . . . . . . . . . B . 21 DT H2' . . . . . . . . . c17791_2lg3 1 . 1 . 643 . 2 2 9 DT H2'' H -6.837 -1.912 7.902 . . . 1.0 . . . . . . . . . . . . B . 21 DT H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 644 . 2 2 9 DT H3 H -1.818 -1.690 9.816 . . . 1.0 . . . . . . . . . . . . B . 21 DT H3 . . . . . . . . . c17791_2lg3 1 . 1 . 645 . 2 2 9 DT H3' H -8.859 -3.722 8.902 . . . 1.0 . . . . . . . . . . . . B . 21 DT H3' . . . . . . . . . c17791_2lg3 1 . 1 . 646 . 2 2 9 DT H4' H -8.841 -1.444 10.779 . . . 1.0 . . . . . . . . . . . . B . 21 DT H4' . . . . . . . . . c17791_2lg3 1 . 1 . 647 . 2 2 9 DT H5' H -9.225 -3.113 12.523 . . . 1.0 . . . . . . . . . . . . B . 21 DT H5' . . . . . . . . . c17791_2lg3 1 . 1 . 648 . 2 2 9 DT H5'' H -10.376 -3.292 11.196 . . . 1.0 . . . . . . . . . . . . B . 21 DT H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 649 . 2 2 9 DT H6 H -5.616 -4.557 10.589 . . . 1.0 . . . . . . . . . . . . B . 21 DT H6 . . . . . . . . . c17791_2lg3 1 . 1 . 650 . 2 2 9 DT H71 H -4.295 -6.424 10.976 . . . 1.0 . . . . . . . . . . . . B . 21 DT H71 . . . . . . . . . c17791_2lg3 1 . 1 . 651 . 2 2 9 DT H72 H -2.717 -6.056 11.713 . . . 1.0 . . . . . . . . . . . . B . 21 DT H72 . . . . . . . . . c17791_2lg3 1 . 1 . 652 . 2 2 9 DT H73 H -2.814 -6.430 9.989 . . . 1.0 . . . . . . . . . . . . B . 21 DT H73 . . . . . . . . . c17791_2lg3 1 . 1 . 653 . 2 2 9 DT N1 N -4.931 -2.610 10.128 . . . 1.0 . . . . . . . . . . . . B . 21 DT N1 . . . . . . . . . c17791_2lg3 1 . 1 . 654 . 2 2 9 DT N3 N -2.592 -2.306 10.020 . . . 1.0 . . . . . . . . . . . . B . 21 DT N3 . . . . . . . . . c17791_2lg3 1 . 1 . 655 . 2 2 9 DT O2 O -3.959 -0.595 9.525 . . . 1.0 . . . . . . . . . . . . B . 21 DT O2 . . . . . . . . . c17791_2lg3 1 . 1 . 656 . 2 2 9 DT O3' O -9.276 -1.739 8.432 . . . 1.0 . . . . . . . . . . . . B . 21 DT O3' . . . . . . . . . c17791_2lg3 1 . 1 . 657 . 2 2 9 DT O4 O -1.142 -4.000 10.280 . . . 1.0 . . . . . . . . . . . . B . 21 DT O4 . . . . . . . . . c17791_2lg3 1 . 1 . 658 . 2 2 9 DT O4' O -7.120 -2.495 11.055 . . . 1.0 . . . . . . . . . . . . B . 21 DT O4' . . . . . . . . . c17791_2lg3 1 . 1 . 659 . 2 2 9 DT O5' O -8.975 -4.789 11.355 . . . 1.0 . . . . . . . . . . . . B . 21 DT O5' . . . . . . . . . c17791_2lg3 1 . 1 . 660 . 2 2 9 DT OP1 O -11.040 -5.643 12.526 . . . 1.0 . . . . . . . . . . . . B . 21 DT OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 661 . 2 2 9 DT OP2 O -9.140 -7.240 11.916 . . . 1.0 . . . . . . . . . . . . B . 21 DT OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 662 . 2 2 9 DT P P -9.591 -5.901 12.354 . . . 1.0 . . . . . . . . . . . . B . 21 DT P . . . . . . . . . c17791_2lg3 1 . 1 . 663 . 2 2 10 DA C1' C -4.661 -0.526 5.149 . . . 1.0 . . . . . . . . . . . . B . 22 DA C1' . . . . . . . . . c17791_2lg3 1 . 1 . 664 . 2 2 10 DA C2 C -0.289 -0.921 5.466 . . . 1.0 . . . . . . . . . . . . B . 22 DA C2 . . . . . . . . . c17791_2lg3 1 . 1 . 665 . 2 2 10 DA C2' C -5.482 -1.090 3.983 . . . 1.0 . . . . . . . . . . . . B . 22 DA C2' . . . . . . . . . c17791_2lg3 1 . 1 . 666 . 2 2 10 DA C3' C -6.696 -0.153 3.929 . . . 1.0 . . . . . . . . . . . . B . 22 DA C3' . . . . . . . . . c17791_2lg3 1 . 1 . 667 . 2 2 10 DA C4 C -2.407 -1.537 5.823 . . . 1.0 . . . . . . . . . . . . B . 22 DA C4 . . . . . . . . . c17791_2lg3 1 . 1 . 668 . 2 2 10 DA C4' C -6.766 0.385 5.372 . . . 1.0 . . . . . . . . . . . . B . 22 DA C4' . . . . . . . . . c17791_2lg3 1 . 1 . 669 . 2 2 10 DA C5 C -2.050 -2.642 6.549 . . . 1.0 . . . . . . . . . . . . B . 22 DA C5 . . . . . . . . . c17791_2lg3 1 . 1 . 670 . 2 2 10 DA C5' C -8.075 0.051 6.116 . . . 1.0 . . . . . . . . . . . . B . 22 DA C5' . . . . . . . . . c17791_2lg3 1 . 1 . 671 . 2 2 10 DA C6 C -0.651 -2.795 6.704 . . . 1.0 . . . . . . . . . . . . B . 22 DA C6 . . . . . . . . . c17791_2lg3 1 . 1 . 672 . 2 2 10 DA C8 C -4.168 -2.656 6.484 . . . 1.0 . . . . . . . . . . . . B . 22 DA C8 . . . . . . . . . c17791_2lg3 1 . 1 . 673 . 2 2 10 DA H1' H -4.069 0.327 4.804 . . . 1.0 . . . . . . . . . . . . B . 22 DA H1' . . . . . . . . . c17791_2lg3 1 . 1 . 674 . 2 2 10 DA H2 H 0.431 -0.241 5.032 . . . 1.0 . . . . . . . . . . . . B . 22 DA H2 . . . . . . . . . c17791_2lg3 1 . 1 . 675 . 2 2 10 DA H2' H -5.825 -2.100 4.206 . . . 1.0 . . . . . . . . . . . . B . 22 DA H2' . . . . . . . . . c17791_2lg3 1 . 1 . 676 . 2 2 10 DA H2'' H -4.914 -1.087 3.057 . . . 1.0 . . . . . . . . . . . . B . 22 DA H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 677 . 2 2 10 DA H3' H -7.603 -0.710 3.682 . . . 1.0 . . . . . . . . . . . . B . 22 DA H3' . . . . . . . . . c17791_2lg3 1 . 1 . 678 . 2 2 10 DA H4' H -6.679 1.470 5.324 . . . 1.0 . . . . . . . . . . . . B . 22 DA H4' . . . . . . . . . c17791_2lg3 1 . 1 . 679 . 2 2 10 DA H5' H -7.972 0.366 7.156 . . . 1.0 . . . . . . . . . . . . B . 22 DA H5' . . . . . . . . . c17791_2lg3 1 . 1 . 680 . 2 2 10 DA H5'' H -8.887 0.621 5.665 . . . 1.0 . . . . . . . . . . . . B . 22 DA H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 681 . 2 2 10 DA H61 H -0.668 -4.239 8.080 . . . 1.0 . . . . . . . . . . . . B . 22 DA H61 . . . . . . . . . c17791_2lg3 1 . 1 . 682 . 2 2 10 DA H62 H 0.914 -3.655 7.610 . . . 1.0 . . . . . . . . . . . . B . 22 DA H62 . . . . . . . . . c17791_2lg3 1 . 1 . 683 . 2 2 10 DA H8 H -5.210 -2.914 6.617 . . . 1.0 . . . . . . . . . . . . B . 22 DA H8 . . . . . . . . . c17791_2lg3 1 . 1 . 684 . 2 2 10 DA N1 N 0.216 -1.952 6.133 . . . 1.0 . . . . . . . . . . . . B . 22 DA N1 . . . . . . . . . c17791_2lg3 1 . 1 . 685 . 2 2 10 DA N3 N -1.566 -0.628 5.250 . . . 1.0 . . . . . . . . . . . . B . 22 DA N3 . . . . . . . . . c17791_2lg3 1 . 1 . 686 . 2 2 10 DA N6 N -0.081 -3.728 7.440 . . . 1.0 . . . . . . . . . . . . B . 22 DA N6 . . . . . . . . . c17791_2lg3 1 . 1 . 687 . 2 2 10 DA N7 N -3.182 -3.365 6.970 . . . 1.0 . . . . . . . . . . . . B . 22 DA N7 . . . . . . . . . c17791_2lg3 1 . 1 . 688 . 2 2 10 DA N9 N -3.785 -1.536 5.789 . . . 1.0 . . . . . . . . . . . . B . 22 DA N9 . . . . . . . . . c17791_2lg3 1 . 1 . 689 . 2 2 10 DA O3' O -6.517 0.931 3.022 . . . 1.0 . . . . . . . . . . . . B . 22 DA O3' . . . . . . . . . c17791_2lg3 1 . 1 . 690 . 2 2 10 DA O4' O -5.637 -0.105 6.083 . . . 1.0 . . . . . . . . . . . . B . 22 DA O4' . . . . . . . . . c17791_2lg3 1 . 1 . 691 . 2 2 10 DA O5' O -8.414 -1.330 6.079 . . . 1.0 . . . . . . . . . . . . B . 22 DA O5' . . . . . . . . . c17791_2lg3 1 . 1 . 692 . 2 2 10 DA OP1 O -10.832 -0.965 6.622 . . . 1.0 . . . . . . . . . . . . B . 22 DA OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 693 . 2 2 10 DA OP2 O -9.849 -3.323 6.563 . . . 1.0 . . . . . . . . . . . . B . 22 DA OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 694 . 2 2 10 DA P P -9.701 -1.886 6.878 . . . 1.0 . . . . . . . . . . . . B . 22 DA P . . . . . . . . . c17791_2lg3 1 . 1 . 695 . 2 2 11 DG C1' C -1.306 -0.755 1.248 . . . 1.0 . . . . . . . . . . . . B . 23 DG C1' . . . . . . . . . c17791_2lg3 1 . 1 . 696 . 2 2 11 DG C2 C 2.233 -2.787 2.862 . . . 1.0 . . . . . . . . . . . . B . 23 DG C2 . . . . . . . . . c17791_2lg3 1 . 1 . 697 . 2 2 11 DG C2' C -1.834 -1.059 -0.159 . . . 1.0 . . . . . . . . . . . . B . 23 DG C2' . . . . . . . . . c17791_2lg3 1 . 1 . 698 . 2 2 11 DG C3' C -2.600 0.203 -0.582 . . . 1.0 . . . . . . . . . . . . B . 23 DG C3' . . . . . . . . . c17791_2lg3 1 . 1 . 699 . 2 2 11 DG C4 C 0.028 -2.525 2.517 . . . 1.0 . . . . . . . . . . . . B . 23 DG C4 . . . . . . . . . c17791_2lg3 1 . 1 . 700 . 2 2 11 DG C4' C -2.715 0.973 0.749 . . . 1.0 . . . . . . . . . . . . B . 23 DG C4' . . . . . . . . . c17791_2lg3 1 . 1 . 701 . 2 2 11 DG C5 C -0.311 -3.673 3.206 . . . 1.0 . . . . . . . . . . . . B . 23 DG C5 . . . . . . . . . c17791_2lg3 1 . 1 . 702 . 2 2 11 DG C5' C -4.125 1.490 1.070 . . . 1.0 . . . . . . . . . . . . B . 23 DG C5' . . . . . . . . . c17791_2lg3 1 . 1 . 703 . 2 2 11 DG C6 C 0.760 -4.460 3.768 . . . 1.0 . . . . . . . . . . . . B . 23 DG C6 . . . . . . . . . c17791_2lg3 1 . 1 . 704 . 2 2 11 DG C8 C -2.141 -2.827 2.520 . . . 1.0 . . . . . . . . . . . . B . 23 DG C8 . . . . . . . . . c17791_2lg3 1 . 1 . 705 . 2 2 11 DG H1 H 2.785 -4.384 4.003 . . . 1.0 . . . . . . . . . . . . B . 23 DG H1 . . . . . . . . . c17791_2lg3 1 . 1 . 706 . 2 2 11 DG H1' H -0.343 -0.244 1.179 . . . 1.0 . . . . . . . . . . . . B . 23 DG H1' . . . . . . . . . c17791_2lg3 1 . 1 . 707 . 2 2 11 DG H2' H -2.521 -1.904 -0.146 . . . 1.0 . . . . . . . . . . . . B . 23 DG H2' . . . . . . . . . c17791_2lg3 1 . 1 . 708 . 2 2 11 DG H2'' H -1.000 -1.262 -0.820 . . . 1.0 . . . . . . . . . . . . B . 23 DG H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 709 . 2 2 11 DG H21 H 3.602 -1.455 2.479 . . . 1.0 . . . . . . . . . . . . B . 23 DG H21 . . . . . . . . . c17791_2lg3 1 . 1 . 710 . 2 2 11 DG H22 H 4.205 -2.915 3.244 . . . 1.0 . . . . . . . . . . . . B . 23 DG H22 . . . . . . . . . c17791_2lg3 1 . 1 . 711 . 2 2 11 DG H3' H -3.595 -0.061 -0.952 . . . 1.0 . . . . . . . . . . . . B . 23 DG H3' . . . . . . . . . c17791_2lg3 1 . 1 . 712 . 2 2 11 DG H4' H -2.043 1.830 0.698 . . . 1.0 . . . . . . . . . . . . B . 23 DG H4' . . . . . . . . . c17791_2lg3 1 . 1 . 713 . 2 2 11 DG H5' H -4.119 1.917 2.074 . . . 1.0 . . . . . . . . . . . . B . 23 DG H5' . . . . . . . . . c17791_2lg3 1 . 1 . 714 . 2 2 11 DG H5'' H -4.389 2.273 0.358 . . . 1.0 . . . . . . . . . . . . B . 23 DG H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 715 . 2 2 11 DG H8 H -3.190 -2.637 2.331 . . . 1.0 . . . . . . . . . . . . B . 23 DG H8 . . . . . . . . . c17791_2lg3 1 . 1 . 716 . 2 2 11 DG N1 N 2.010 -3.929 3.547 . . . 1.0 . . . . . . . . . . . . B . 23 DG N1 . . . . . . . . . c17791_2lg3 1 . 1 . 717 . 2 2 11 DG N2 N 3.476 -2.413 2.743 . . . 1.0 . . . . . . . . . . . . B . 23 DG N2 . . . . . . . . . c17791_2lg3 1 . 1 . 718 . 2 2 11 DG N3 N 1.291 -2.043 2.287 . . . 1.0 . . . . . . . . . . . . B . 23 DG N3 . . . . . . . . . c17791_2lg3 1 . 1 . 719 . 2 2 11 DG N7 N -1.698 -3.879 3.158 . . . 1.0 . . . . . . . . . . . . B . 23 DG N7 . . . . . . . . . c17791_2lg3 1 . 1 . 720 . 2 2 11 DG N9 N -1.159 -1.972 2.083 . . . 1.0 . . . . . . . . . . . . B . 23 DG N9 . . . . . . . . . c17791_2lg3 1 . 1 . 721 . 2 2 11 DG O3' O -1.890 0.964 -1.560 . . . 1.0 . . . . . . . . . . . . B . 23 DG O3' . . . . . . . . . c17791_2lg3 1 . 1 . 722 . 2 2 11 DG O4' O -2.265 0.120 1.791 . . . 1.0 . . . . . . . . . . . . B . 23 DG O4' . . . . . . . . . c17791_2lg3 1 . 1 . 723 . 2 2 11 DG O5' O -5.100 0.461 1.007 . . . 1.0 . . . . . . . . . . . . B . 23 DG O5' . . . . . . . . . c17791_2lg3 1 . 1 . 724 . 2 2 11 DG O6 O 0.724 -5.538 4.359 . . . 1.0 . . . . . . . . . . . . B . 23 DG O6 . . . . . . . . . c17791_2lg3 1 . 1 . 725 . 2 2 11 DG OP1 O -7.012 2.060 0.834 . . . 1.0 . . . . . . . . . . . . B . 23 DG OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 726 . 2 2 11 DG OP2 O -7.420 -0.451 1.113 . . . 1.0 . . . . . . . . . . . . B . 23 DG OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 727 . 2 2 11 DG P P -6.624 0.756 1.419 . . . 1.0 . . . . . . . . . . . . B . 23 DG P . . . . . . . . . c17791_2lg3 1 . 1 . 728 . 2 2 12 DC C1' C 2.158 -3.151 -1.800 . . . 1.0 . . . . . . . . . . . . B . 24 DC C1' . . . . . . . . . c17791_2lg3 1 . 1 . 729 . 2 2 12 DC C2 C 2.173 -5.050 -0.220 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2 . . . . . . . . . c17791_2lg3 1 . 1 . 730 . 2 2 12 DC C2' C 2.046 -3.557 -3.282 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2' . . . . . . . . . c17791_2lg3 1 . 1 . 731 . 2 2 12 DC C3' C 1.358 -2.362 -3.934 . . . 1.0 . . . . . . . . . . . . B . 24 DC C3' . . . . . . . . . c17791_2lg3 1 . 1 . 732 . 2 2 12 DC C4 C 0.267 -5.841 0.776 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4 . . . . . . . . . c17791_2lg3 1 . 1 . 733 . 2 2 12 DC C4' C 1.681 -1.231 -2.946 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4' . . . . . . . . . c17791_2lg3 1 . 1 . 734 . 2 2 12 DC C5 C -0.553 -4.910 0.078 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5 . . . . . . . . . c17791_2lg3 1 . 1 . 735 . 2 2 12 DC C5' C 0.722 -0.039 -3.023 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5' . . . . . . . . . c17791_2lg3 1 . 1 . 736 . 2 2 12 DC C6 C 0.066 -4.042 -0.761 . . . 1.0 . . . . . . . . . . . . B . 24 DC C6 . . . . . . . . . c17791_2lg3 1 . 1 . 737 . 2 2 12 DC H1' H 3.213 -3.127 -1.515 . . . 1.0 . . . . . . . . . . . . B . 24 DC H1' . . . . . . . . . c17791_2lg3 1 . 1 . 738 . 2 2 12 DC H2' H 1.460 -4.466 -3.426 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2' . . . . . . . . . c17791_2lg3 1 . 1 . 739 . 2 2 12 DC H2'' H 3.045 -3.697 -3.693 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2'' . . . . . . . . . c17791_2lg3 1 . 1 . 740 . 2 2 12 DC H3' H 0.278 -2.538 -3.966 . . . 1.0 . . . . . . . . . . . . B . 24 DC H3' . . . . . . . . . c17791_2lg3 1 . 1 . 741 . 2 2 12 DC H4' H 2.698 -0.880 -3.119 . . . 1.0 . . . . . . . . . . . . B . 24 DC H4' . . . . . . . . . c17791_2lg3 1 . 1 . 742 . 2 2 12 DC H41 H -1.117 -6.399 2.060 . . . 1.0 . . . . . . . . . . . . B . 24 DC H41 . . . . . . . . . c17791_2lg3 1 . 1 . 743 . 2 2 12 DC H42 H 0.414 -7.226 2.170 . . . 1.0 . . . . . . . . . . . . B . 24 DC H42 . . . . . . . . . c17791_2lg3 1 . 1 . 744 . 2 2 12 DC H5 H -1.621 -4.866 0.223 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5 . . . . . . . . . c17791_2lg3 1 . 1 . 745 . 2 2 12 DC H5' H 0.828 0.575 -2.127 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5' . . . . . . . . . c17791_2lg3 1 . 1 . 746 . 2 2 12 DC H5'' H 0.964 0.567 -3.897 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5'' . . . . . . . . . c17791_2lg3 1 . 1 . 747 . 2 2 12 DC H6 H -0.500 -3.298 -1.312 . . . 1.0 . . . . . . . . . . . . B . 24 DC H6 . . . . . . . . . c17791_2lg3 1 . 1 . 748 . 2 2 12 DC HO3' H 1.353 -1.392 -5.623 . . . 1.0 . . . . . . . . . . . . B . 24 DC HO3' . . . . . . . . . c17791_2lg3 1 . 1 . 749 . 2 2 12 DC N1 N 1.431 -4.081 -0.900 . . . 1.0 . . . . . . . . . . . . B . 24 DC N1 . . . . . . . . . c17791_2lg3 1 . 1 . 750 . 2 2 12 DC N3 N 1.568 -5.928 0.605 . . . 1.0 . . . . . . . . . . . . B . 24 DC N3 . . . . . . . . . c17791_2lg3 1 . 1 . 751 . 2 2 12 DC N4 N -0.246 -6.664 1.636 . . . 1.0 . . . . . . . . . . . . B . 24 DC N4 . . . . . . . . . c17791_2lg3 1 . 1 . 752 . 2 2 12 DC O2 O 3.388 -5.158 -0.389 . . . 1.0 . . . . . . . . . . . . B . 24 DC O2 . . . . . . . . . c17791_2lg3 1 . 1 . 753 . 2 2 12 DC O3' O 1.885 -2.105 -5.247 . . . 1.0 . . . . . . . . . . . . B . 24 DC O3' . . . . . . . . . c17791_2lg3 1 . 1 . 754 . 2 2 12 DC O4' O 1.630 -1.845 -1.675 . . . 1.0 . . . . . . . . . . . . B . 24 DC O4' . . . . . . . . . c17791_2lg3 1 . 1 . 755 . 2 2 12 DC O5' O -0.609 -0.494 -3.139 . . . 1.0 . . . . . . . . . . . . B . 24 DC O5' . . . . . . . . . c17791_2lg3 1 . 1 . 756 . 2 2 12 DC OP1 O -1.418 1.695 -3.938 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP1 . . . . . . . . . c17791_2lg3 1 . 1 . 757 . 2 2 12 DC OP2 O -3.029 -0.242 -3.485 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP2 . . . . . . . . . c17791_2lg3 1 . 1 . 758 . 2 2 12 DC P P -1.831 0.535 -3.117 . . . 1.0 . . . . . . . . . . . . B . 24 DC P . . . . . . . . . c17791_2lg3 1 . 1 . 759 . 3 3 1 HND C1 C -0.971 -1.027 21.218 . . . 1.0 . . . . . . . . . . . . A . 25 HND C1 . . . . . . . . . c17791_2lg3 1 . 1 . 760 . 3 3 1 HND C2 C -1.451 -2.033 22.264 . . . 1.0 . . . . . . . . . . . . A . 25 HND C2 . . . . . . . . . c17791_2lg3 1 . 1 . 761 . 3 3 1 HND C3 C -2.674 -2.822 21.764 . . . 1.0 . . . . . . . . . . . . A . 25 HND C3 . . . . . . . . . c17791_2lg3 1 . 1 . 762 . 3 3 1 HND C4 C -3.459 -3.498 22.926 . . . 1.0 . . . . . . . . . . . . A . 25 HND C4 . . . . . . . . . c17791_2lg3 1 . 1 . 763 . 3 3 1 HND C5 C -2.684 -4.511 23.802 . . . 1.0 . . . . . . . . . . . . A . 25 HND C5 . . . . . . . . . c17791_2lg3 1 . 1 . 764 . 3 3 1 HND C6 C -2.325 -5.861 23.154 . . . 1.0 . . . . . . . . . . . . A . 25 HND C6 . . . . . . . . . c17791_2lg3 1 . 1 . 765 . 3 3 1 HND C7 C -1.635 -6.755 24.205 . . . 1.0 . . . . . . . . . . . . A . 25 HND C7 . . . . . . . . . c17791_2lg3 1 . 1 . 766 . 3 3 1 HND C8 C -1.366 -8.186 23.689 . . . 1.0 . . . . . . . . . . . . A . 25 HND C8 . . . . . . . . . c17791_2lg3 1 . 1 . 767 . 3 3 1 HND C9 C -2.611 -9.090 23.716 . . . 1.0 . . . . . . . . . . . . A . 25 HND C9 . . . . . . . . . c17791_2lg3 1 . 1 . 768 . 3 3 1 HND H1 H -0.150 -0.452 21.645 . . . 1.0 . . . . . . . . . . . . A . 25 HND H1 . . . . . . . . . c17791_2lg3 1 . 1 . 769 . 3 3 1 HND H2 H -1.709 -1.495 23.169 . . . 1.0 . . . . . . . . . . . . A . 25 HND H2 . . . . . . . . . c17791_2lg3 1 . 1 . 770 . 3 3 1 HND H2A H -0.643 -2.724 22.498 . . . 1.0 . . . . . . . . . . . . A . 25 HND H2A . . . . . . . . . c17791_2lg3 1 . 1 . 771 . 3 3 1 HND H3 H -2.345 -3.589 21.059 . . . 1.0 . . . . . . . . . . . . A . 25 HND H3 . . . . . . . . . c17791_2lg3 1 . 1 . 772 . 3 3 1 HND H4 H -3.775 -2.694 23.596 . . . 1.0 . . . . . . . . . . . . A . 25 HND H4 . . . . . . . . . c17791_2lg3 1 . 1 . 773 . 3 3 1 HND H5 H -3.296 -4.708 24.683 . . . 1.0 . . . . . . . . . . . . A . 25 HND H5 . . . . . . . . . c17791_2lg3 1 . 1 . 774 . 3 3 1 HND H5A H -1.767 -4.043 24.148 . . . 1.0 . . . . . . . . . . . . A . 25 HND H5A . . . . . . . . . c17791_2lg3 1 . 1 . 775 . 3 3 1 HND H6 H -1.668 -5.710 22.302 . . . 1.0 . . . . . . . . . . . . A . 25 HND H6 . . . . . . . . . c17791_2lg3 1 . 1 . 776 . 3 3 1 HND H6A H -3.232 -6.354 22.812 . . . 1.0 . . . . . . . . . . . . A . 25 HND H6A . . . . . . . . . c17791_2lg3 1 . 1 . 777 . 3 3 1 HND H7 H -2.252 -6.824 25.101 . . . 1.0 . . . . . . . . . . . . A . 25 HND H7 . . . . . . . . . c17791_2lg3 1 . 1 . 778 . 3 3 1 HND H7A H -0.680 -6.304 24.489 . . . 1.0 . . . . . . . . . . . . A . 25 HND H7A . . . . . . . . . c17791_2lg3 1 . 1 . 779 . 3 3 1 HND H8 H -0.642 -8.654 24.345 . . . 1.0 . . . . . . . . . . . . A . 25 HND H8 . . . . . . . . . c17791_2lg3 1 . 1 . 780 . 3 3 1 HND H8A H -0.938 -8.167 22.689 . . . 1.0 . . . . . . . . . . . . A . 25 HND H8A . . . . . . . . . c17791_2lg3 1 . 1 . 781 . 3 3 1 HND H9 H -3.033 -9.099 24.722 . . . 1.0 . . . . . . . . . . . . A . 25 HND H9 . . . . . . . . . c17791_2lg3 1 . 1 . 782 . 3 3 1 HND H9A H -3.358 -8.720 23.023 . . . 1.0 . . . . . . . . . . . . A . 25 HND H9A . . . . . . . . . c17791_2lg3 1 . 1 . 783 . 3 3 1 HND H9B H -2.317 -10.099 23.411 . . . 1.0 . . . . . . . . . . . . A . 25 HND H9B . . . . . . . . . c17791_2lg3 1 . 1 . 784 . 3 3 1 HND HO10 H -5.216 -4.388 23.151 . . . 1.0 . . . . . . . . . . . . A . 25 HND HO10 . . . . . . . . . c17791_2lg3 1 . 1 . 785 . 3 3 1 HND HO11 H 0.380 -1.453 19.847 . . . 1.0 . . . . . . . . . . . . A . 25 HND HO11 . . . . . . . . . c17791_2lg3 1 . 1 . 786 . 3 3 1 HND O10 O -4.664 -4.113 22.415 . . . 1.0 . . . . . . . . . . . . A . 25 HND O10 . . . . . . . . . c17791_2lg3 1 . 1 . 787 . 3 3 1 HND O11 O -0.511 -1.756 20.094 . . . 1.0 . . . . . . . . . . . . A . 25 HND O11 . . . . . . . . . c17791_2lg3 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c17791_2lg3 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2lg3.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c17791_2lg3 1 1 2lg3.mr . . DYANA/DIANA 2 distance NOE simple 231 c17791_2lg3 1 1 2lg3.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c17791_2lg3 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c17791_2lg3 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c17791_2lg3 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H1' H . . . . . . . 2.34 . . . . . A . 1 DG H8 . . A . 1 DG H1' . . . 1 DG H8 . . . . . 1 DG H1' . . c17791_2lg3 1 2 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H3' H . . . . . . . 2.50 . . . . . A . 1 DG H1' . . A . 1 DG H3' . . . 1 DG H1' . . . . . 1 DG H3' . . c17791_2lg3 1 3 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2' H . . . . . . . 2.11 . . . . . A . 1 DG H1' . . A . 1 DG H2' . . . 1 DG H1' . . . . . 1 DG H2'1 . . c17791_2lg3 1 4 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H2' H . . . . . . . 1.74 . . . . . A . 1 DG H8 . . A . 1 DG H2' . . . 1 DG H8 . . . . . 1 DG H2'1 . . c17791_2lg3 1 5 1 . . 1 1 1 1 DG H3' H . . . 1 1 1 1 DG H2' H . . . . . . . 2.18 . . . . . A . 1 DG H3' . . A . 1 DG H2' . . . 1 DG H3' . . . . . 1 DG H2'1 . . c17791_2lg3 1 6 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2'' H . . . . . . . 2.02 . . . . . A . 1 DG H1' . . A . 1 DG H2'' . . . 1 DG H1' . . . . . 1 DG H2'2 . . c17791_2lg3 1 7 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H2'' H . . . . . . . 2.33 . . . . . A . 1 DG H8 . . A . 1 DG H2'' . . . 1 DG H8 . . . . . 1 DG H2'2 . . c17791_2lg3 1 8 1 . . 1 1 1 1 DG H3' H . . . 1 1 1 1 DG H2'' H . . . . . . . 2.57 . . . . . A . 1 DG H3' . . A . 1 DG H2'' . . . 1 DG H3' . . . . . 1 DG H2'2 . . c17791_2lg3 1 9 1 . . 1 1 1 1 DG H1' H . . . 1 1 2 2 DC H6 H . . . . . . . 2.95 . . . . . A . 1 DG H1' . . A . 2 DC H6 . . . 1 DG H1' . . . . . 2 DC H6 . . c17791_2lg3 1 10 1 . . 1 1 1 1 DG H8 H . . . 1 1 2 2 DC H6 H . . . . . . . 4.49 . . . . . A . 1 DG H8 . . A . 2 DC H6 . . . 1 DG H8 . . . . . 2 DC H6 . . c17791_2lg3 1 11 1 . . 1 1 1 1 DG H2' H . . . 1 1 2 2 DC H6 H . . . . . . . 2.42 . . . . . A . 1 DG H2' . . A . 2 DC H6 . . . 1 DG H2'1 . . . . . 2 DC H6 . . c17791_2lg3 1 12 1 . . 1 1 1 1 DG H2'' H . . . 1 1 2 2 DC H6 H . . . . . . . 2.93 . . . . . A . 1 DG H2'' . . A . 2 DC H6 . . . 1 DG H2'2 . . . . . 2 DC H6 . . c17791_2lg3 1 13 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H1' H . . . . . . . 3.14 . . . . . A . 2 DC H6 . . A . 2 DC H1' . . . 2 DC H6 . . . . . 2 DC H1' . . c17791_2lg3 1 14 1 . . 1 1 1 1 DG H1' H . . . 1 1 2 2 DC H5 H . . . . . . . 3.42 . . . . . A . 1 DG H1' . . A . 2 DC H5 . . . 1 DG H1' . . . . . 2 DC H5 . . c17791_2lg3 1 15 1 . . 1 1 1 1 DG H8 H . . . 1 1 2 2 DC H5 H . . . . . . . 3.54 . . . . . A . 1 DG H8 . . A . 2 DC H5 . . . 1 DG H8 . . . . . 2 DC H5 . . c17791_2lg3 1 16 1 . . 1 1 1 1 DG H2'' H . . . 1 1 2 2 DC H5 H . . . . . . . 3.21 . . . . . A . 1 DG H2'' . . A . 2 DC H5 . . . 1 DG H2'2 . . . . . 2 DC H5 . . c17791_2lg3 1 17 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H3' H . . . . . . . 2.71 . . . . . A . 2 DC H6 . . A . 2 DC H3' . . . 2 DC H6 . . . . . 2 DC H3' . . c17791_2lg3 1 18 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H2' H . . . . . . . 2.86 . . . . . A . 2 DC H6 . . A . 2 DC H2' . . . 2 DC H6 . . . . . 2 DC H2'1 . . c17791_2lg3 1 19 1 . . 1 1 2 2 DC H3' H . . . 1 1 2 2 DC H2' H . . . . . . . 2.05 . . . . . A . 2 DC H3' . . A . 2 DC H2' . . . 2 DC H3' . . . . . 2 DC H2'1 . . c17791_2lg3 1 20 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H2'' H . . . . . . . 2.38 . . . . . A . 2 DC H6 . . A . 2 DC H2'' . . . 2 DC H6 . . . . . 2 DC H2'2 . . c17791_2lg3 1 21 1 . . 1 1 2 2 DC H1' H . . . 1 1 3 3 DT H6 H . . . . . . . 1.88 . . . . . A . 2 DC H1' . . A . 3 DT H6 . . . 2 DC H1' . . . . . 3 DT H6 . . c17791_2lg3 1 22 1 . . 1 1 2 2 DC H1' H . . . 1 1 3 3 DT M7 H . . . . . . . 4.84 . . . . . A . 2 DC H1' . . A . 3 DT M7 . . . 2 DC H1' . . . . . 3 DT M7 . . c17791_2lg3 1 23 1 . . 1 1 2 2 DC H6 H . . . 1 1 3 3 DT M7 H . . . . . . . 2.87 . . . . . A . 2 DC H6 . . A . 3 DT M7 . . . 2 DC H6 . . . . . 3 DT M7 . . c17791_2lg3 1 24 1 . . 1 1 2 2 DC H5 H . . . 1 1 3 3 DT M7 H . . . . . . . 3.41 . . . . . A . 2 DC H5 . . A . 3 DT M7 . . . 2 DC H5 . . . . . 3 DT M7 . . c17791_2lg3 1 25 1 . . 1 1 2 2 DC H3' H . . . 1 1 3 3 DT M7 H . . . . . . . 3.98 . . . . . A . 2 DC H3' . . A . 3 DT M7 . . . 2 DC H3' . . . . . 3 DT M7 . . c17791_2lg3 1 26 1 . . 1 1 2 2 DC H2'' H . . . 1 1 3 3 DT M7 H . . . . . . . 3.34 . . . . . A . 2 DC H2'' . . A . 3 DT M7 . . . 2 DC H2'2 . . . . . 3 DT M7 . . c17791_2lg3 1 27 1 . . 1 1 3 3 DT H3' H . . . 1 1 3 3 DT H1' H . . . . . . . 2.84 . . . . . A . 3 DT H3' . . A . 3 DT H1' . . . 3 DT H3' . . . . . 3 DT H1' . . c17791_2lg3 1 28 1 . . 1 1 3 3 DT H1' H . . . 1 1 3 3 DT H2' H . . . . . . . 1.88 . . . . . A . 3 DT H1' . . A . 3 DT H2' . . . 3 DT H1' . . . . . 3 DT H2'1 . . c17791_2lg3 1 29 1 . . 1 1 3 3 DT H1' H . . . 1 1 3 3 DT H2'' H . . . . . . . 1.88 . . . . . A . 3 DT H1' . . A . 3 DT H2'' . . . 3 DT H1' . . . . . 3 DT H2'2 . . c17791_2lg3 1 30 1 . . 1 1 11 11 DC H2' H . . . 1 1 11 11 DC H1' H . . . . . . . 1.85 . . . . . A . 11 DC H2' . . A . 11 DC H1' . . . 11 DC H2'1 . . . . . 11 DC H1' . . c17791_2lg3 1 31 1 . . 1 1 11 11 DC H2' H . . . 1 1 11 11 DC H3' H . . . . . . . 2.54 . . . . . A . 11 DC H2' . . A . 11 DC H3' . . . 11 DC H2'1 . . . . . 11 DC H3' . . c17791_2lg3 1 32 1 . . 1 1 11 11 DC H1' H . . . 1 1 11 11 DC H2'' H . . . . . . . 1.79 . . . . . A . 11 DC H1' . . A . 11 DC H2'' . . . 11 DC H1' . . . . . 11 DC H2'2 . . c17791_2lg3 1 33 1 . . 1 1 11 11 DC H1' H . . . 1 1 12 12 DC H6 H . . . . . . . 2.29 . . . . . A . 11 DC H1' . . A . 12 DC H6 . . . 11 DC H1' . . . . . 12 DC H6 . . c17791_2lg3 1 34 1 . . 1 1 11 11 DC H3' H . . . 1 1 12 12 DC H6 H . . . . . . . 3.63 . . . . . A . 11 DC H3' . . A . 12 DC H6 . . . 11 DC H3' . . . . . 12 DC H6 . . c17791_2lg3 1 35 1 . . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H1' H . . . . . . . 3.95 . . . . . A . 12 DC H6 . . A . 12 DC H1' . . . 12 DC H6 . . . . . 12 DC H1' . . c17791_2lg3 1 36 1 . . 1 1 11 11 DC H3' H . . . 1 1 12 12 DC H5 H . . . . . . . 3.97 . . . . . A . 11 DC H3' . . A . 12 DC H5 . . . 11 DC H3' . . . . . 12 DC H5 . . c17791_2lg3 1 37 1 . . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H3' H . . . . . . . 4.06 . . . . . A . 12 DC H1' . . A . 12 DC H3' . . . 12 DC H1' . . . . . 12 DC H3' . . c17791_2lg3 1 38 1 . . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H3' H . . . . . . . 2.68 . . . . . A . 12 DC H6 . . A . 12 DC H3' . . . 12 DC H6 . . . . . 12 DC H3' . . c17791_2lg3 1 39 1 . . 1 1 12 12 DC H5 H . . . 1 1 12 12 DC H3' H . . . . . . . 4.74 . . . . . A . 12 DC H5 . . A . 12 DC H3' . . . 12 DC H5 . . . . . 12 DC H3' . . c17791_2lg3 1 40 1 OR . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H2' H . . . . . . . 2.19 . . . . . A . 12 DC H1' . . A . 12 DC H2' . . . 12 DC H1' . . . . . 12 DC Q2' . . c17791_2lg3 1 40 2 OR . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H2'' H . . . . . . . 2.19 . . . . . A . 12 DC H1' . . A . 12 DC H2'' . . . 12 DC H1' . . . . . 12 DC Q2' . . c17791_2lg3 1 41 1 OR . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H2' H . . . . . . . 2.46 . . . . . A . 12 DC H6 . . A . 12 DC H2' . . . 12 DC H6 . . . . . 12 DC Q2' . . c17791_2lg3 1 41 2 OR . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H2'' H . . . . . . . 2.46 . . . . . A . 12 DC H6 . . A . 12 DC H2'' . . . 12 DC H6 . . . . . 12 DC Q2' . . c17791_2lg3 1 42 1 OR . 1 1 12 12 DC H3' H . . . 1 1 12 12 DC H2' H . . . . . . . 2.63 . . . . . A . 12 DC H3' . . A . 12 DC H2' . . . 12 DC H3' . . . . . 12 DC Q2' . . c17791_2lg3 1 42 2 OR . 1 1 12 12 DC H3' H . . . 1 1 12 12 DC H2'' H . . . . . . . 2.63 . . . . . A . 12 DC H3' . . A . 12 DC H2'' . . . 12 DC H3' . . . . . 12 DC Q2' . . c17791_2lg3 1 43 1 . . 2 2 1 1 DG H8 H . . . 2 2 1 1 DG H1' H . . . . . . . 3.04 . . . . . B . 13 DG H8 . . B . 13 DG H1' . . . 13 DG H8 . . . . . 13 DG H1' . . c17791_2lg3 1 44 1 . . 2 2 1 1 DG H1' H . . . 2 2 1 1 DG H3' H . . . . . . . 3.62 . . . . . B . 13 DG H1' . . B . 13 DG H3' . . . 13 DG H1' . . . . . 13 DG H3' . . c17791_2lg3 1 45 1 . . 2 2 1 1 DG H8 H . . . 2 2 1 1 DG H3' H . . . . . . . 3.41 . . . . . B . 13 DG H8 . . B . 13 DG H3' . . . 13 DG H8 . . . . . 13 DG H3' . . c17791_2lg3 1 46 1 . . 2 2 1 1 DG H3' H . . . 2 2 1 1 DG H2' H . . . . . . . 2.20 . . . . . B . 13 DG H3' . . B . 13 DG H2' . . . 13 DG H3' . . . . . 13 DG H2'1 . . c17791_2lg3 1 47 1 . . 2 2 1 1 DG H1' H . . . 2 2 1 1 DG H2'' H . . . . . . . 2.36 . . . . . B . 13 DG H1' . . B . 13 DG H2'' . . . 13 DG H1' . . . . . 13 DG H2'2 . . c17791_2lg3 1 48 1 . . 2 2 1 1 DG H1' H . . . 2 2 2 2 DG H8 H . . . . . . . 3.48 . . . . . B . 13 DG H1' . . B . 14 DG H8 . . . 13 DG H1' . . . . . 14 DG H8 . . c17791_2lg3 1 49 1 . . 2 2 1 1 DG H3' H . . . 2 2 2 2 DG H8 H . . . . . . . 3.62 . . . . . B . 13 DG H3' . . B . 14 DG H8 . . . 13 DG H3' . . . . . 14 DG H8 . . c17791_2lg3 1 50 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H3' H . . . . . . . 5.26 . . . . . B . 14 DG H8 . . B . 14 DG H3' . . . 14 DG H8 . . . . . 14 DG H3' . . c17791_2lg3 1 51 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H2' H . . . . . . . 1.57 . . . . . B . 14 DG H8 . . B . 14 DG H2' . . . 14 DG H8 . . . . . 14 DG H2'1 . . c17791_2lg3 1 52 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H2'' H . . . . . . . 2.32 . . . . . B . 14 DG H8 . . B . 14 DG H2'' . . . 14 DG H8 . . . . . 14 DG H2'2 . . c17791_2lg3 1 53 1 . . 2 2 2 2 DG H8 H . . . 2 2 3 3 DA H8 H . . . . . . . 3.34 . . . . . B . 14 DG H8 . . B . 15 DA H8 . . . 14 DG H8 . . . . . 15 DA H8 . . c17791_2lg3 1 54 1 . . 2 2 3 3 DA H8 H . . . 2 2 3 3 DA H1' H . . . . . . . 3.37 . . . . . B . 15 DA H8 . . B . 15 DA H1' . . . 15 DA H8 . . . . . 15 DA H1' . . c17791_2lg3 1 55 1 . . 1 1 11 11 DC H1' H . . . 2 2 3 3 DA H2 H . . . . . . . 3.60 . . . . . A . 11 DC H1' . . B . 15 DA H2 . . . 11 DC H1' . . . . . 15 DA H2 . . c17791_2lg3 1 56 1 . . 2 2 3 3 DA H1' H . . . 2 2 3 3 DA H2 H . . . . . . . 3.98 . . . . . B . 15 DA H1' . . B . 15 DA H2 . . . 15 DA H1' . . . . . 15 DA H2 . . c17791_2lg3 1 57 1 . . 2 2 3 3 DA H1' H . . . 2 2 3 3 DA H3' H . . . . . . . 3.48 . . . . . B . 15 DA H1' . . B . 15 DA H3' . . . 15 DA H1' . . . . . 15 DA H3' . . c17791_2lg3 1 58 1 . . 2 2 3 3 DA H1' H . . . 2 2 3 3 DA H2' H . . . . . . . 2.71 . . . . . B . 15 DA H1' . . B . 15 DA H2' . . . 15 DA H1' . . . . . 15 DA H2'1 . . c17791_2lg3 1 59 1 . . 2 2 3 3 DA H1' H . . . 2 2 3 3 DA H2'' H . . . . . . . 2.25 . . . . . B . 15 DA H1' . . B . 15 DA H2'' . . . 15 DA H1' . . . . . 15 DA H2'2 . . c17791_2lg3 1 60 1 . . 2 2 10 10 DA H8 H . . . 2 2 9 9 DT H6 H . . . . . . . 4.16 . . . . . B . 22 DA H8 . . B . 21 DT H6 . . . 22 DA H8 . . . . . 21 DT H6 . . c17791_2lg3 1 61 1 . . 2 2 10 10 DA H2 H . . . 1 1 4 4 DA H1' H . . . . . . . 3.92 . . . . . B . 22 DA H2 . . A . 4 DA H1' . . . 22 DA H2 . . . . . 4 DA H1' . . c17791_2lg3 1 62 1 . . 2 2 11 11 DG H3' H . . . 2 2 11 11 DG H1' H . . . . . . . 2.92 . . . . . B . 23 DG H3' . . B . 23 DG H1' . . . 23 DG H3' . . . . . 23 DG H1' . . c17791_2lg3 1 63 1 . . 2 2 12 12 DC H6 H . . . 2 2 12 12 DC H1' H . . . . . . . 3.88 . . . . . B . 24 DC H6 . . B . 24 DC H1' . . . 24 DC H6 . . . . . 24 DC H1' . . c17791_2lg3 1 64 1 . . 2 2 11 11 DG H1' H . . . 2 2 12 12 DC H5 H . . . . . . . 3.84 . . . . . B . 23 DG H1' . . B . 24 DC H5 . . . 23 DG H1' . . . . . 24 DC H5 . . c17791_2lg3 1 65 1 . . 2 2 12 12 DC H5 H . . . 2 2 11 11 DG H8 H . . . . . . . 3.40 . . . . . B . 24 DC H5 . . B . 23 DG H8 . . . 24 DC H5 . . . . . 23 DG H8 . . c17791_2lg3 1 66 1 . . 2 2 12 12 DC H5 H . . . 2 2 11 11 DG H2' H . . . . . . . 2.99 . . . . . B . 24 DC H5 . . B . 23 DG H2' . . . 24 DC H5 . . . . . 23 DG H2'1 . . c17791_2lg3 1 67 1 . . 2 2 12 12 DC H1' H . . . 2 2 12 12 DC H3' H . . . . . . . 3.05 . . . . . B . 24 DC H1' . . B . 24 DC H3' . . . 24 DC H1' . . . . . 24 DC H3' . . c17791_2lg3 1 68 1 . . 2 2 12 12 DC H6 H . . . 2 2 12 12 DC H3' H . . . . . . . 2.96 . . . . . B . 24 DC H6 . . B . 24 DC H3' . . . 24 DC H6 . . . . . 24 DC H3' . . c17791_2lg3 1 69 1 . . 2 2 12 12 DC H1' H . . . 2 2 12 12 DC H2' H . . . . . . . 3.44 . . . . . B . 24 DC H1' . . B . 24 DC H2' . . . 24 DC H1' . . . . . 24 DC H2'1 . . c17791_2lg3 1 70 1 . . 2 2 12 12 DC H3' H . . . 2 2 12 12 DC H2' H . . . . . . . 2.17 . . . . . B . 24 DC H3' . . B . 24 DC H2' . . . 24 DC H3' . . . . . 24 DC H2'1 . . c17791_2lg3 1 71 1 . . 2 2 12 12 DC H1' H . . . 2 2 12 12 DC H2'' H . . . . . . . 1.88 . . . . . B . 24 DC H1' . . B . 24 DC H2'' . . . 24 DC H1' . . . . . 24 DC H2'2 . . c17791_2lg3 1 72 1 . . 2 2 12 12 DC H3' H . . . 2 2 12 12 DC H2'' H . . . . . . . 2.97 . . . . . B . 24 DC H3' . . B . 24 DC H2'' . . . 24 DC H3' . . . . . 24 DC H2'2 . . c17791_2lg3 1 73 1 . . 1 1 3 3 DT H1' H . . . 1 1 4 4 DA H8 H . . . . . . . 1.87 . . . . . A . 3 DT H1' . . A . 4 DA H8 . . . 3 DT H1' . . . . . 4 DA H8 . . c17791_2lg3 1 74 1 . . 1 1 3 3 DT H6 H . . . 1 1 4 4 DA H8 H . . . . . . . 3.70 . . . . . A . 3 DT H6 . . A . 4 DA H8 . . . 3 DT H6 . . . . . 4 DA H8 . . c17791_2lg3 1 75 1 . . 1 1 3 3 DT H3' H . . . 1 1 4 4 DA H8 H . . . . . . . 3.70 . . . . . A . 3 DT H3' . . A . 4 DA H8 . . . 3 DT H3' . . . . . 4 DA H8 . . c17791_2lg3 1 76 1 . . 1 1 3 3 DT H2' H . . . 1 1 4 4 DA H8 H . . . . . . . 1.86 . . . . . A . 3 DT H2' . . A . 4 DA H8 . . . 3 DT H2'1 . . . . . 4 DA H8 . . c17791_2lg3 1 77 1 . . 1 1 3 3 DT H2'' H . . . 1 1 4 4 DA H8 H . . . . . . . 2.33 . . . . . A . 3 DT H2'' . . A . 4 DA H8 . . . 3 DT H2'2 . . . . . 4 DA H8 . . c17791_2lg3 1 78 1 . . 1 1 4 4 DA H8 H . . . 1 1 4 4 DA H3' H . . . . . . . 2.12 . . . . . A . 4 DA H8 . . A . 4 DA H3' . . . 4 DA H8 . . . . . 4 DA H3' . . c17791_2lg3 1 79 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H1' H . . . . . . . 2.82 . . . . . A . 5 DG H8 . . A . 5 DG H1' . . . 5 DG H8 . . . . . 5 DG H1' . . c17791_2lg3 1 80 1 . . 1 1 5 5 DG H1' H . . . 1 1 5 5 DG H3' H . . . . . . . 4.30 . . . . . A . 5 DG H1' . . A . 5 DG H3' . . . 5 DG H1' . . . . . 5 DG H3' . . c17791_2lg3 1 81 1 . . 1 1 5 5 DG H1' H . . . 1 1 5 5 DG H2'' H . . . . . . . 3.18 . . . . . A . 5 DG H1' . . A . 5 DG H2'' . . . 5 DG H1' . . . . . 5 DG H2'2 . . c17791_2lg3 1 82 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H2'' H . . . . . . . 2.68 . . . . . A . 5 DG H8 . . A . 5 DG H2'' . . . 5 DG H8 . . . . . 5 DG H2'2 . . c17791_2lg3 1 83 1 . . 1 1 5 5 DG H3' H . . . 1 1 5 5 DG H2'' H . . . . . . . 2.63 . . . . . A . 5 DG H3' . . A . 5 DG H2'' . . . 5 DG H3' . . . . . 5 DG H2'2 . . c17791_2lg3 1 84 1 . . 1 1 5 5 DG H1' H . . . 1 1 6 6 DC H6 H . . . . . . . 2.96 . . . . . A . 5 DG H1' . . A . 6 DC H6 . . . 5 DG H1' . . . . . 6 DC H6 . . c17791_2lg3 1 85 1 . . 1 1 5 5 DG H2'' H . . . 1 1 6 6 DC H6 H . . . . . . . 2.64 . . . . . A . 5 DG H2'' . . A . 6 DC H6 . . . 5 DG H2'2 . . . . . 6 DC H6 . . c17791_2lg3 1 86 1 . . 1 1 6 6 DC H6 H . . . 1 1 6 6 DC H1' H . . . . . . . 1.98 . . . . . A . 6 DC H6 . . A . 6 DC H1' . . . 6 DC H6 . . . . . 6 DC H1' . . c17791_2lg3 1 87 1 . . 1 1 5 5 DG H1' H . . . 1 1 6 6 DC H5 H . . . . . . . 2.98 . . . . . A . 5 DG H1' . . A . 6 DC H5 . . . 5 DG H1' . . . . . 6 DC H5 . . c17791_2lg3 1 88 1 . . 1 1 5 5 DG H8 H . . . 1 1 6 6 DC H5 H . . . . . . . 1.94 . . . . . A . 5 DG H8 . . A . 6 DC H5 . . . 5 DG H8 . . . . . 6 DC H5 . . c17791_2lg3 1 89 1 . . 1 1 5 5 DG H2'' H . . . 1 1 6 6 DC H5 H . . . . . . . 2.69 . . . . . A . 5 DG H2'' . . A . 6 DC H5 . . . 5 DG H2'2 . . . . . 6 DC H5 . . c17791_2lg3 1 90 1 . . 1 1 6 6 DC H1' H . . . 1 1 6 6 DC H2' H . . . . . . . 2.50 . . . . . A . 6 DC H1' . . A . 6 DC H2' . . . 6 DC H1' . . . . . 6 DC H2'1 . . c17791_2lg3 1 91 1 . . 1 1 6 6 DC H6 H . . . 1 1 6 6 DC H2' H . . . . . . . 2.14 . . . . . A . 6 DC H6 . . A . 6 DC H2' . . . 6 DC H6 . . . . . 6 DC H2'1 . . c17791_2lg3 1 92 1 . . 1 1 6 6 DC H5 H . . . 1 1 6 6 DC H2' H . . . . . . . 3.77 . . . . . A . 6 DC H5 . . A . 6 DC H2' . . . 6 DC H5 . . . . . 6 DC H2'1 . . c17791_2lg3 1 93 1 . . 1 1 6 6 DC H1' H . . . 1 1 6 6 DC H2'' H . . . . . . . 2.01 . . . . . A . 6 DC H1' . . A . 6 DC H2'' . . . 6 DC H1' . . . . . 6 DC H2'2 . . c17791_2lg3 1 94 1 . . 1 1 6 6 DC H6 H . . . 1 1 6 6 DC H2'' H . . . . . . . 2.36 . . . . . A . 6 DC H6 . . A . 6 DC H2'' . . . 6 DC H6 . . . . . 6 DC H2'2 . . c17791_2lg3 1 95 1 . . 1 1 6 6 DC H1' H . . . 1 1 7 7 DG H8 H . . . . . . . 3.76 . . . . . A . 6 DC H1' . . A . 7 DG H8 . . . 6 DC H1' . . . . . 7 DG H8 . . c17791_2lg3 1 96 1 . . 1 1 6 6 DC H2' H . . . 1 1 7 7 DG H8 H . . . . . . . 3.28 . . . . . A . 6 DC H2' . . A . 7 DG H8 . . . 6 DC H2'1 . . . . . 7 DG H8 . . c17791_2lg3 1 97 1 . . 1 1 6 6 DC H2'' H . . . 1 1 7 7 DG H8 H . . . . . . . 3.34 . . . . . A . 6 DC H2'' . . A . 7 DG H8 . . . 6 DC H2'2 . . . . . 7 DG H8 . . c17791_2lg3 1 98 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H1' H . . . . . . . 3.23 . . . . . A . 7 DG H8 . . A . 7 DG H1' . . . 7 DG H8 . . . . . 7 DG H1' . . c17791_2lg3 1 99 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H3' H . . . . . . . 3.33 . . . . . A . 7 DG H8 . . A . 7 DG H3' . . . 7 DG H8 . . . . . 7 DG H3' . . c17791_2lg3 1 100 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2' H . . . . . . . 3.18 . . . . . A . 7 DG H1' . . A . 7 DG H2' . . . 7 DG H1' . . . . . 7 DG H2'1 . . c17791_2lg3 1 101 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H2' H . . . . . . . 2.51 . . . . . A . 7 DG H8 . . A . 7 DG H2' . . . 7 DG H8 . . . . . 7 DG H2'1 . . c17791_2lg3 1 102 1 . . 1 1 7 7 DG H3' H . . . 1 1 7 7 DG H2' H . . . . . . . 2.42 . . . . . A . 7 DG H3' . . A . 7 DG H2' . . . 7 DG H3' . . . . . 7 DG H2'1 . . c17791_2lg3 1 103 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2'' H . . . . . . . 2.31 . . . . . A . 7 DG H1' . . A . 7 DG H2'' . . . 7 DG H1' . . . . . 7 DG H2'2 . . c17791_2lg3 1 104 1 . . 1 1 7 7 DG H1' H . . . 1 1 8 8 DA H8 H . . . . . . . 3.35 . . . . . A . 7 DG H1' . . A . 8 DA H8 . . . 7 DG H1' . . . . . 8 DA H8 . . c17791_2lg3 1 105 1 . . 1 1 7 7 DG H8 H . . . 1 1 8 8 DA H8 H . . . . . . . 3.59 . . . . . A . 7 DG H8 . . A . 8 DA H8 . . . 7 DG H8 . . . . . 8 DA H8 . . c17791_2lg3 1 106 1 . . 1 1 7 7 DG H3' H . . . 1 1 8 8 DA H8 H . . . . . . . 4.04 . . . . . A . 7 DG H3' . . A . 8 DA H8 . . . 7 DG H3' . . . . . 8 DA H8 . . c17791_2lg3 1 107 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DA H8 H . . . . . . . 3.38 . . . . . A . 7 DG H2' . . A . 8 DA H8 . . . 7 DG H2'1 . . . . . 8 DA H8 . . c17791_2lg3 1 108 1 . . 1 1 7 7 DG H2'' H . . . 1 1 8 8 DA H8 H . . . . . . . 2.77 . . . . . A . 7 DG H2'' . . A . 8 DA H8 . . . 7 DG H2'2 . . . . . 8 DA H8 . . c17791_2lg3 1 109 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H1' H . . . . . . . 3.18 . . . . . A . 8 DA H8 . . A . 8 DA H1' . . . 8 DA H8 . . . . . 8 DA H1' . . c17791_2lg3 1 110 1 . . 1 1 8 8 DA H1' H . . . 1 1 8 8 DA H2 H . . . . . . . 3.79 . . . . . A . 8 DA H1' . . A . 8 DA H2 . . . 8 DA H1' . . . . . 8 DA H2 . . c17791_2lg3 1 111 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H3' H . . . . . . . 3.31 . . . . . A . 8 DA H8 . . A . 8 DA H3' . . . 8 DA H8 . . . . . 8 DA H3' . . c17791_2lg3 1 112 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H2' H . . . . . . . 2.29 . . . . . A . 8 DA H8 . . A . 8 DA H2' . . . 8 DA H8 . . . . . 8 DA H2'1 . . c17791_2lg3 1 113 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H2'' H . . . . . . . 3.03 . . . . . A . 8 DA H8 . . A . 8 DA H2'' . . . 8 DA H8 . . . . . 8 DA H2'2 . . c17791_2lg3 1 114 1 . . 1 1 8 8 DA H2 H . . . 1 1 9 9 DG H1' H . . . . . . . 3.50 . . . . . A . 8 DA H2 . . A . 9 DG H1' . . . 8 DA H2 . . . . . 9 DG H1' . . c17791_2lg3 1 115 1 . . 1 1 8 8 DA H1' H . . . 1 1 9 9 DG H8 H . . . . . . . 3.71 . . . . . A . 8 DA H1' . . A . 9 DG H8 . . . 8 DA H1' . . . . . 9 DG H8 . . c17791_2lg3 1 116 1 . . 1 1 8 8 DA H8 H . . . 1 1 9 9 DG H8 H . . . . . . . 3.78 . . . . . A . 8 DA H8 . . A . 9 DG H8 . . . 8 DA H8 . . . . . 9 DG H8 . . c17791_2lg3 1 117 1 . . 1 1 8 8 DA H3' H . . . 1 1 9 9 DG H8 H . . . . . . . 3.93 . . . . . A . 8 DA H3' . . A . 9 DG H8 . . . 8 DA H3' . . . . . 9 DG H8 . . c17791_2lg3 1 118 1 . . 1 1 8 8 DA H2'' H . . . 1 1 9 9 DG H8 H . . . . . . . 2.74 . . . . . A . 8 DA H2'' . . A . 9 DG H8 . . . 8 DA H2'2 . . . . . 9 DG H8 . . c17791_2lg3 1 119 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H8 H . . . . . . . 3.12 . . . . . A . 9 DG H1' . . A . 9 DG H8 . . . 9 DG H1' . . . . . 9 DG H8 . . c17791_2lg3 1 120 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H3' H . . . . . . . 4.34 . . . . . A . 9 DG H1' . . A . 9 DG H3' . . . 9 DG H1' . . . . . 9 DG H3' . . c17791_2lg3 1 121 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H2' H . . . . . . . 2.17 . . . . . A . 9 DG H1' . . A . 9 DG H2' . . . 9 DG H1' . . . . . 9 DG H2'1 . . c17791_2lg3 1 122 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H2'' H . . . . . . . 1.82 . . . . . A . 9 DG H1' . . A . 9 DG H2'' . . . 9 DG H1' . . . . . 9 DG H2'2 . . c17791_2lg3 1 123 1 . . 1 1 9 9 DG H1' H . . . 1 1 10 10 DT H6 H . . . . . . . 2.96 . . . . . A . 9 DG H1' . . A . 10 DT H6 . . . 9 DG H1' . . . . . 10 DT H6 . . c17791_2lg3 1 124 1 . . 1 1 9 9 DG H2'' H . . . 1 1 10 10 DT H6 H . . . . . . . 2.31 . . . . . A . 9 DG H2'' . . A . 10 DT H6 . . . 9 DG H2'2 . . . . . 10 DT H6 . . c17791_2lg3 1 125 1 . . 1 1 9 9 DG H1' H . . . 1 1 10 10 DT M7 H . . . . . . . 3.11 . . . . . A . 9 DG H1' . . A . 10 DT M7 . . . 9 DG H1' . . . . . 10 DT M7 . . c17791_2lg3 1 126 1 . . 1 1 9 9 DG H8 H . . . 1 1 10 10 DT M7 H . . . . . . . 3.07 . . . . . A . 9 DG H8 . . A . 10 DT M7 . . . 9 DG H8 . . . . . 10 DT M7 . . c17791_2lg3 1 127 1 . . 1 1 9 9 DG H3' H . . . 1 1 10 10 DT M7 H . . . . . . . 2.67 . . . . . A . 9 DG H3' . . A . 10 DT M7 . . . 9 DG H3' . . . . . 10 DT M7 . . c17791_2lg3 1 128 1 . . 1 1 9 9 DG H2' H . . . 1 1 10 10 DT M7 H . . . . . . . 2.32 . . . . . A . 9 DG H2' . . A . 10 DT M7 . . . 9 DG H2'1 . . . . . 10 DT M7 . . c17791_2lg3 1 129 1 . . 1 1 9 9 DG H2'' H . . . 1 1 10 10 DT M7 H . . . . . . . 2.60 . . . . . A . 9 DG H2'' . . A . 10 DT M7 . . . 9 DG H2'2 . . . . . 10 DT M7 . . c17791_2lg3 1 130 1 . . 1 1 10 10 DT H6 H . . . 1 1 10 10 DT M7 H . . . . . . . 3.38 . . . . . A . 10 DT H6 . . A . 10 DT M7 . . . 10 DT H6 . . . . . 10 DT M7 . . c17791_2lg3 1 131 1 . . 1 1 10 10 DT H6 H . . . 1 1 10 10 DT H2' H . . . . . . . 2.04 . . . . . A . 10 DT H6 . . A . 10 DT H2' . . . 10 DT H6 . . . . . 10 DT H2'1 . . c17791_2lg3 1 132 1 . . 1 1 10 10 DT H2'' H . . . 1 1 10 10 DT H1' H . . . . . . . 2.87 . . . . . A . 10 DT H2'' . . A . 10 DT H1' . . . 10 DT H2'2 . . . . . 10 DT H1' . . c17791_2lg3 1 133 1 . . 1 1 10 10 DT H6 H . . . 1 1 11 11 DC H5 H . . . . . . . 2.15 . . . . . A . 10 DT H6 . . A . 11 DC H5 . . . 10 DT H6 . . . . . 11 DC H5 . . c17791_2lg3 1 134 1 . . 1 1 10 10 DT M7 H . . . 1 1 11 11 DC H5 H . . . . . . . 3.40 . . . . . A . 10 DT M7 . . A . 11 DC H5 . . . 10 DT M7 . . . . . 11 DC H5 . . c17791_2lg3 1 135 1 . . 1 1 10 10 DT H2' H . . . 1 1 11 11 DC H5 H . . . . . . . 1.90 . . . . . A . 10 DT H2' . . A . 11 DC H5 . . . 10 DT H2'1 . . . . . 11 DC H5 . . c17791_2lg3 1 136 1 . . 1 1 10 10 DT H2'' H . . . 1 1 11 11 DC H5 H . . . . . . . 2.32 . . . . . A . 10 DT H2'' . . A . 11 DC H5 . . . 10 DT H2'2 . . . . . 11 DC H5 . . c17791_2lg3 1 137 1 . . 1 1 11 11 DC H2' H . . . 1 1 11 11 DC H5 H . . . . . . . 3.97 . . . . . A . 11 DC H2' . . A . 11 DC H5 . . . 11 DC H2'1 . . . . . 11 DC H5 . . c17791_2lg3 1 138 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H1' H . . . . . . . 2.90 . . . . . B . 14 DG H8 . . B . 14 DG H1' . . . 14 DG H8 . . . . . 14 DG H1' . . c17791_2lg3 1 139 1 . . 2 2 2 2 DG H3' H . . . 2 2 2 2 DG H1' H . . . . . . . 2.90 . . . . . B . 14 DG H3' . . B . 14 DG H1' . . . 14 DG H3' . . . . . 14 DG H1' . . c17791_2lg3 1 140 1 . . 2 2 2 2 DG H2' H . . . 2 2 2 2 DG H1' H . . . . . . . 1.88 . . . . . B . 14 DG H2' . . B . 14 DG H1' . . . 14 DG H2'1 . . . . . 14 DG H1' . . c17791_2lg3 1 141 1 . . 2 2 2 2 DG H2'' H . . . 2 2 2 2 DG H1' H . . . . . . . 1.88 . . . . . B . 14 DG H2'' . . B . 14 DG H1' . . . 14 DG H2'2 . . . . . 14 DG H1' . . c17791_2lg3 1 142 1 . . 1 1 11 11 DC H1' H . . . 2 2 3 3 DA H2 H . . . . . . . 3.68 . . . . . A . 11 DC H1' . . B . 15 DA H2 . . . 11 DC H1' . . . . . 15 DA H2 . . c17791_2lg3 1 143 1 . . 2 2 3 3 DA H2 H . . . 2 2 4 4 DC H1' H . . . . . . . 3.29 . . . . . B . 15 DA H2 . . B . 16 DC H1' . . . 15 DA H2 . . . . . 16 DC H1' . . c17791_2lg3 1 144 1 . . 2 2 3 3 DA H1' H . . . 2 2 4 4 DC H6 H . . . . . . . 3.08 . . . . . B . 15 DA H1' . . B . 16 DC H6 . . . 15 DA H1' . . . . . 16 DC H6 . . c17791_2lg3 1 145 1 . . 2 2 3 3 DA H2' H . . . 2 2 4 4 DC H6 H . . . . . . . 2.33 . . . . . B . 15 DA H2' . . B . 16 DC H6 . . . 15 DA H2'1 . . . . . 16 DC H6 . . c17791_2lg3 1 146 1 . . 2 2 3 3 DA H2'' H . . . 2 2 4 4 DC H6 H . . . . . . . 2.58 . . . . . B . 15 DA H2'' . . B . 16 DC H6 . . . 15 DA H2'2 . . . . . 16 DC H6 . . c17791_2lg3 1 147 1 . . 2 2 4 4 DC H1' H . . . 2 2 4 4 DC H6 H . . . . . . . 2.16 . . . . . B . 16 DC H1' . . B . 16 DC H6 . . . 16 DC H1' . . . . . 16 DC H6 . . c17791_2lg3 1 148 1 . . 2 2 3 3 DA H2' H . . . 2 2 4 4 DC H5 H . . . . . . . 2.64 . . . . . B . 15 DA H2' . . B . 16 DC H5 . . . 15 DA H2'1 . . . . . 16 DC H5 . . c17791_2lg3 1 149 1 . . 2 2 3 3 DA H2'' H . . . 2 2 4 4 DC H5 H . . . . . . . 2.34 . . . . . B . 15 DA H2'' . . B . 16 DC H5 . . . 15 DA H2'2 . . . . . 16 DC H5 . . c17791_2lg3 1 150 1 . . 2 2 4 4 DC H1' H . . . 2 2 4 4 DC H2' H . . . . . . . 2.00 . . . . . B . 16 DC H1' . . B . 16 DC H2' . . . 16 DC H1' . . . . . 16 DC H2'1 . . c17791_2lg3 1 151 1 . . 2 2 4 4 DC H6 H . . . 2 2 4 4 DC H2' H . . . . . . . 2.19 . . . . . B . 16 DC H6 . . B . 16 DC H2' . . . 16 DC H6 . . . . . 16 DC H2'1 . . c17791_2lg3 1 152 1 . . 2 2 4 4 DC H1' H . . . 2 2 5 5 DT H6 H . . . . . . . 3.80 . . . . . B . 16 DC H1' . . B . 17 DT H6 . . . 16 DC H1' . . . . . 17 DT H6 . . c17791_2lg3 1 153 1 . . 2 2 5 5 DT H6 H . . . 2 2 5 5 DT H1' H . . . . . . . 2.62 . . . . . B . 17 DT H6 . . B . 17 DT H1' . . . 17 DT H6 . . . . . 17 DT H1' . . c17791_2lg3 1 154 1 . . 2 2 4 4 DC H1' H . . . 2 2 5 5 DT M7 H . . . . . . . 2.62 . . . . . B . 16 DC H1' . . B . 17 DT M7 . . . 16 DC H1' . . . . . 17 DT M7 . . c17791_2lg3 1 155 1 . . 2 2 4 4 DC H6 H . . . 2 2 5 5 DT M7 H . . . . . . . 3.89 . . . . . B . 16 DC H6 . . B . 17 DT M7 . . . 16 DC H6 . . . . . 17 DT M7 . . c17791_2lg3 1 156 1 . . 2 2 4 4 DC H5 H . . . 2 2 5 5 DT M7 H . . . . . . . 3.46 . . . . . B . 16 DC H5 . . B . 17 DT M7 . . . 16 DC H5 . . . . . 17 DT M7 . . c17791_2lg3 1 157 1 . . 2 2 5 5 DT H6 H . . . 2 2 5 5 DT M7 H . . . . . . . 3.03 . . . . . B . 17 DT H6 . . B . 17 DT M7 . . . 17 DT H6 . . . . . 17 DT M7 . . c17791_2lg3 1 158 1 . . 2 2 5 5 DT H1' H . . . 2 2 5 5 DT H3' H . . . . . . . 2.01 . . . . . B . 17 DT H1' . . B . 17 DT H3' . . . 17 DT H1' . . . . . 17 DT H3' . . c17791_2lg3 1 159 1 . . 2 2 5 5 DT H1' H . . . 2 2 5 5 DT H2' H . . . . . . . 1.93 . . . . . B . 17 DT H1' . . B . 17 DT H2' . . . 17 DT H1' . . . . . 17 DT H2'1 . . c17791_2lg3 1 160 1 . . 2 2 5 5 DT H3' H . . . 2 2 5 5 DT H2' H . . . . . . . 2.14 . . . . . B . 17 DT H3' . . B . 17 DT H2' . . . 17 DT H3' . . . . . 17 DT H2'1 . . c17791_2lg3 1 161 1 . . 2 2 5 5 DT H1' H . . . 2 2 5 5 DT H2'' H . . . . . . . 2.17 . . . . . B . 17 DT H1' . . B . 17 DT H2'' . . . 17 DT H1' . . . . . 17 DT H2'2 . . c17791_2lg3 1 162 1 . . 2 2 5 5 DT H6 H . . . 2 2 5 5 DT H2'' H . . . . . . . 2.08 . . . . . B . 17 DT H6 . . B . 17 DT H2'' . . . 17 DT H6 . . . . . 17 DT H2'2 . . c17791_2lg3 1 163 1 . . 2 2 5 5 DT H3' H . . . 2 2 5 5 DT H2'' H . . . . . . . 2.64 . . . . . B . 17 DT H3' . . B . 17 DT H2'' . . . 17 DT H3' . . . . . 17 DT H2'2 . . c17791_2lg3 1 164 1 . . 2 2 5 5 DT M7 H . . . 2 2 6 6 DT H1' H . . . . . . . 4.27 . . . . . B . 17 DT M7 . . B . 18 DT H1' . . . 17 DT M7 . . . . . 18 DT H1' . . c17791_2lg3 1 165 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H2' H . . . . . . . 2.02 . . . . . B . 18 DT H1' . . B . 18 DT H2' . . . 18 DT H1' . . . . . 18 DT H2'1 . . c17791_2lg3 1 166 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H2'' H . . . . . . . 2.18 . . . . . B . 18 DT H1' . . B . 18 DT H2'' . . . 18 DT H1' . . . . . 18 DT H2'2 . . c17791_2lg3 1 167 1 . . 2 2 5 5 DT H1' H . . . 2 2 6 6 DT H6 H . . . . . . . 3.68 . . . . . B . 17 DT H1' . . B . 18 DT H6 . . . 17 DT H1' . . . . . 18 DT H6 . . c17791_2lg3 1 168 1 . . 2 2 5 5 DT H3' H . . . 2 2 6 6 DT H6 H . . . . . . . 4.03 . . . . . B . 17 DT H3' . . B . 18 DT H6 . . . 17 DT H3' . . . . . 18 DT H6 . . c17791_2lg3 1 169 1 . . 2 2 5 5 DT H2' H . . . 2 2 6 6 DT H6 H . . . . . . . 3.32 . . . . . B . 17 DT H2' . . B . 18 DT H6 . . . 17 DT H2'1 . . . . . 18 DT H6 . . c17791_2lg3 1 170 1 . . 2 2 5 5 DT H2'' H . . . 2 2 6 6 DT H6 H . . . . . . . 3.90 . . . . . B . 17 DT H2'' . . B . 18 DT H6 . . . 17 DT H2'2 . . . . . 18 DT H6 . . c17791_2lg3 1 171 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H6 H . . . . . . . 2.98 . . . . . B . 18 DT H1' . . B . 18 DT H6 . . . 18 DT H1' . . . . . 18 DT H6 . . c17791_2lg3 1 172 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT H3' H . . . . . . . 3.13 . . . . . B . 18 DT H6 . . B . 18 DT H3' . . . 18 DT H6 . . . . . 18 DT H3' . . c17791_2lg3 1 173 1 . . 2 2 6 6 DT H2' H . . . 2 2 6 6 DT H6 H . . . . . . . 2.91 . . . . . B . 18 DT H2' . . B . 18 DT H6 . . . 18 DT H2'1 . . . . . 18 DT H6 . . c17791_2lg3 1 174 1 . . 2 2 6 6 DT H2'' H . . . 2 2 6 6 DT H6 H . . . . . . . 2.68 . . . . . B . 18 DT H2'' . . B . 18 DT H6 . . . 18 DT H2'2 . . . . . 18 DT H6 . . c17791_2lg3 1 175 1 . . 2 2 5 5 DT H1' H . . . 2 2 6 6 DT M7 H . . . . . . . 2.99 . . . . . B . 17 DT H1' . . B . 18 DT M7 . . . 17 DT H1' . . . . . 18 DT M7 . . c17791_2lg3 1 176 1 . . 2 2 5 5 DT H6 H . . . 2 2 6 6 DT M7 H . . . . . . . 2.67 . . . . . B . 17 DT H6 . . B . 18 DT M7 . . . 17 DT H6 . . . . . 18 DT M7 . . c17791_2lg3 1 177 1 . . 2 2 5 5 DT H3' H . . . 2 2 6 6 DT M7 H . . . . . . . 2.94 . . . . . B . 17 DT H3' . . B . 18 DT M7 . . . 17 DT H3' . . . . . 18 DT M7 . . c17791_2lg3 1 178 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT M7 H . . . . . . . 2.96 . . . . . B . 18 DT H6 . . B . 18 DT M7 . . . 18 DT H6 . . . . . 18 DT M7 . . c17791_2lg3 1 179 1 . . 2 2 6 6 DT H2' H . . . 2 2 7 7 DG H8 H . . . . . . . 3.36 . . . . . B . 18 DT H2' . . B . 19 DG H8 . . . 18 DT H2'1 . . . . . 19 DG H8 . . c17791_2lg3 1 180 1 . . 2 2 6 6 DT H2'' H . . . 2 2 7 7 DG H8 H . . . . . . . 3.38 . . . . . B . 18 DT H2'' . . B . 19 DG H8 . . . 18 DT H2'2 . . . . . 19 DG H8 . . c17791_2lg3 1 181 1 . . 2 2 7 7 DG H3' H . . . 2 2 7 7 DG H1' H . . . . . . . 3.26 . . . . . B . 19 DG H3' . . B . 19 DG H1' . . . 19 DG H3' . . . . . 19 DG H1' . . c17791_2lg3 1 182 1 . . 2 2 7 7 DG H8 H . . . 2 2 7 7 DG H3' H . . . . . . . 3.36 . . . . . B . 19 DG H8 . . B . 19 DG H3' . . . 19 DG H8 . . . . . 19 DG H3' . . c17791_2lg3 1 183 1 . . 2 2 7 7 DG H3' H . . . 2 2 7 7 DG H2'' H . . . . . . . 2.39 . . . . . B . 19 DG H3' . . B . 19 DG H2'' . . . 19 DG H3' . . . . . 19 DG H2'2 . . c17791_2lg3 1 184 1 . . 2 2 7 7 DG H1' H . . . 2 2 8 8 DC H6 H . . . . . . . 3.11 . . . . . B . 19 DG H1' . . B . 20 DC H6 . . . 19 DG H1' . . . . . 20 DC H6 . . c17791_2lg3 1 185 1 . . 2 2 7 7 DG H8 H . . . 2 2 8 8 DC H6 H . . . . . . . 3.02 . . . . . B . 19 DG H8 . . B . 20 DC H6 . . . 19 DG H8 . . . . . 20 DC H6 . . c17791_2lg3 1 186 1 . . 2 2 7 7 DG H2'' H . . . 2 2 8 8 DC H6 H . . . . . . . 3.15 . . . . . B . 19 DG H2'' . . B . 20 DC H6 . . . 19 DG H2'2 . . . . . 20 DC H6 . . c17791_2lg3 1 187 1 . . 2 2 8 8 DC H6 H . . . 2 2 8 8 DC H1' H . . . . . . . 3.98 . . . . . B . 20 DC H6 . . B . 20 DC H1' . . . 20 DC H6 . . . . . 20 DC H1' . . c17791_2lg3 1 188 1 . . 2 2 7 7 DG H1' H . . . 2 2 8 8 DC H5 H . . . . . . . 3.78 . . . . . B . 19 DG H1' . . B . 20 DC H5 . . . 19 DG H1' . . . . . 20 DC H5 . . c17791_2lg3 1 189 1 . . 2 2 7 7 DG H8 H . . . 2 2 8 8 DC H5 H . . . . . . . 3.54 . . . . . B . 19 DG H8 . . B . 20 DC H5 . . . 19 DG H8 . . . . . 20 DC H5 . . c17791_2lg3 1 190 1 . . 2 2 7 7 DG H2'' H . . . 2 2 8 8 DC H5 H . . . . . . . 4.29 . . . . . B . 19 DG H2'' . . B . 20 DC H5 . . . 19 DG H2'2 . . . . . 20 DC H5 . . c17791_2lg3 1 191 1 . . 2 2 8 8 DC H1' H . . . 2 2 8 8 DC H2' H . . . . . . . 3.15 . . . . . B . 20 DC H1' . . B . 20 DC H2' . . . 20 DC H1' . . . . . 20 DC H2'1 . . c17791_2lg3 1 192 1 . . 2 2 8 8 DC H5 H . . . 2 2 8 8 DC H2' H . . . . . . . 3.03 . . . . . B . 20 DC H5 . . B . 20 DC H2' . . . 20 DC H5 . . . . . 20 DC H2'1 . . c17791_2lg3 1 193 1 . . 2 2 8 8 DC H1' H . . . 2 2 8 8 DC H2'' H . . . . . . . 2.10 . . . . . B . 20 DC H1' . . B . 20 DC H2'' . . . 20 DC H1' . . . . . 20 DC H2'2 . . c17791_2lg3 1 194 1 . . 2 2 9 9 DT H6 H . . . 2 2 8 8 DC H1' H . . . . . . . 3.69 . . . . . B . 21 DT H6 . . B . 20 DC H1' . . . 21 DT H6 . . . . . 20 DC H1' . . c17791_2lg3 1 195 1 . . 2 2 9 9 DT H6 H . . . 2 2 9 9 DT H1' H . . . . . . . 2.17 . . . . . B . 21 DT H6 . . B . 21 DT H1' . . . 21 DT H6 . . . . . 21 DT H1' . . c17791_2lg3 1 196 1 . . 2 2 8 8 DC H5 H . . . 2 2 9 9 DT M7 H . . . . . . . 3.98 . . . . . B . 20 DC H5 . . B . 21 DT M7 . . . 20 DC H5 . . . . . 21 DT M7 . . c17791_2lg3 1 197 1 . . 2 2 8 8 DC H2' H . . . 2 2 9 9 DT M7 H . . . . . . . 2.27 . . . . . B . 20 DC H2' . . B . 21 DT M7 . . . 20 DC H2'1 . . . . . 21 DT M7 . . c17791_2lg3 1 198 1 . . 2 2 9 9 DT H1' H . . . 2 2 9 9 DT H3' H . . . . . . . 3.35 . . . . . B . 21 DT H1' . . B . 21 DT H3' . . . 21 DT H1' . . . . . 21 DT H3' . . c17791_2lg3 1 199 1 . . 2 2 9 9 DT H6 H . . . 2 2 9 9 DT H3' H . . . . . . . 2.72 . . . . . B . 21 DT H6 . . B . 21 DT H3' . . . 21 DT H6 . . . . . 21 DT H3' . . c17791_2lg3 1 200 1 . . 2 2 9 9 DT H6 H . . . 2 2 9 9 DT H2' H . . . . . . . 2.09 . . . . . B . 21 DT H6 . . B . 21 DT H2' . . . 21 DT H6 . . . . . 21 DT H2'1 . . c17791_2lg3 1 201 1 . . 2 2 9 9 DT H1' H . . . 2 2 9 9 DT H2'' H . . . . . . . 1.81 . . . . . B . 21 DT H1' . . B . 21 DT H2'' . . . 21 DT H1' . . . . . 21 DT H2'2 . . c17791_2lg3 1 202 1 . . 2 2 9 9 DT H6 H . . . 2 2 9 9 DT H2'' H . . . . . . . 2.31 . . . . . B . 21 DT H6 . . B . 21 DT H2'' . . . 21 DT H6 . . . . . 21 DT H2'2 . . c17791_2lg3 1 203 1 . . 2 2 10 10 DA H8 H . . . 2 2 9 9 DT H3' H . . . . . . . 3.17 . . . . . B . 22 DA H8 . . B . 21 DT H3' . . . 22 DA H8 . . . . . 21 DT H3' . . c17791_2lg3 1 204 1 . . 2 2 10 10 DA H8 H . . . 2 2 9 9 DT H2'' H . . . . . . . 2.37 . . . . . B . 22 DA H8 . . B . 21 DT H2'' . . . 22 DA H8 . . . . . 21 DT H2'2 . . c17791_2lg3 1 205 1 . . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H1 H . . . . . . . 3.71 . . . . . A . 8 DA H2 . . A . 25 HND H1 . . . 8 DA H2 . . . . . 25 HNE H1 . . c17791_2lg3 1 206 1 . . 2 2 5 5 DT H1' H . . . 3 3 1 1 HND H1 H . . . . . . . 3.75 . . . . . B . 17 DT H1' . . A . 25 HND H1 . . . 17 DT H1' . . . . . 25 HNE H1 . . c17791_2lg3 1 207 1 . . 2 2 5 5 DT M7 H . . . 3 3 1 1 HND H1 H . . . . . . . 3.10 . . . . . B . 17 DT M7 . . A . 25 HND H1 . . . 17 DT M7 . . . . . 25 HNE H1 . . c17791_2lg3 1 208 1 . . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H2 H . . . . . . . 2.81 . . . . . A . 8 DA H2 . . A . 25 HND H2 . . . 8 DA H2 . . . . . 25 HNE H21 . . c17791_2lg3 1 209 1 . . 2 2 5 5 DT H1' H . . . 3 3 1 1 HND H2 H . . . . . . . 2.87 . . . . . B . 17 DT H1' . . A . 25 HND H2 . . . 17 DT H1' . . . . . 25 HNE H21 . . c17791_2lg3 1 210 1 . . 2 2 7 7 DG H1' H . . . 3 3 1 1 HND H2 H . . . . . . . 2.82 . . . . . B . 19 DG H1' . . A . 25 HND H2 . . . 19 DG H1' . . . . . 25 HNE H21 . . c17791_2lg3 1 211 1 . . 3 3 1 1 HND H1 H . . . 3 3 1 1 HND H2 H . . . . . . . 1.95 . . . . . A . 25 HND H1 . . A . 25 HND H2 . . . 25 HNE H1 . . . . . 25 HNE H21 . . c17791_2lg3 1 212 1 . . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H2A H . . . . . . . 3.26 . . . . . A . 8 DA H2 . . A . 25 HND H2A . . . 8 DA H2 . . . . . 25 HNE H22 . . c17791_2lg3 1 213 1 . . 3 3 1 1 HND H1 H . . . 3 3 1 1 HND H2A H . . . . . . . 2.24 . . . . . A . 25 HND H1 . . A . 25 HND H2A . . . 25 HNE H1 . . . . . 25 HNE H22 . . c17791_2lg3 1 214 1 . . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H3 H . . . . . . . 3.65 . . . . . A . 8 DA H2 . . A . 25 HND H3 . . . 8 DA H2 . . . . . 25 HNE H3 . . c17791_2lg3 1 215 1 . . 3 3 1 1 HND H1 H . . . 3 3 1 1 HND H3 H . . . . . . . 4.03 . . . . . A . 25 HND H1 . . A . 25 HND H3 . . . 25 HNE H1 . . . . . 25 HNE H3 . . c17791_2lg3 1 216 1 . . 3 3 1 1 HND H2 H . . . 3 3 1 1 HND H3 H . . . . . . . 1.93 . . . . . A . 25 HND H2 . . A . 25 HND H3 . . . 25 HNE H21 . . . . . 25 HNE H3 . . c17791_2lg3 1 217 1 . . 3 3 1 1 HND H2A H . . . 3 3 1 1 HND H3 H . . . . . . . 2.35 . . . . . A . 25 HND H2A . . A . 25 HND H3 . . . 25 HNE H22 . . . . . 25 HNE H3 . . c17791_2lg3 1 218 1 . . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H4 H . . . . . . . 2.45 . . . . . A . 8 DA H2 . . A . 25 HND H4 . . . 8 DA H2 . . . . . 25 HNE H4 . . c17791_2lg3 1 219 1 . . 3 3 1 1 HND H1 H . . . 3 3 1 1 HND H4 H . . . . . . . 2.57 . . . . . A . 25 HND H1 . . A . 25 HND H4 . . . 25 HNE H1 . . . . . 25 HNE H4 . . c17791_2lg3 1 220 1 . . 3 3 1 1 HND H2 H . . . 3 3 1 1 HND H4 H . . . . . . . 1.87 . . . . . A . 25 HND H2 . . A . 25 HND H4 . . . 25 HNE H21 . . . . . 25 HNE H4 . . c17791_2lg3 1 221 1 . . 3 3 1 1 HND H2A H . . . 3 3 1 1 HND H4 H . . . . . . . 2.55 . . . . . A . 25 HND H2A . . A . 25 HND H4 . . . 25 HNE H22 . . . . . 25 HNE H4 . . c17791_2lg3 1 222 1 . . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H5 H . . . . . . . 3.20 . . . . . A . 8 DA H2 . . A . 25 HND H5 . . . 8 DA H2 . . . . . 25 HNE H51 . . c17791_2lg3 1 223 1 . . 3 3 1 1 HND H3 H . . . 3 3 1 1 HND H5 H . . . . . . . 2.13 . . . . . A . 25 HND H3 . . A . 25 HND H5 . . . 25 HNE H3 . . . . . 25 HNE H51 . . c17791_2lg3 1 224 1 . . 3 3 1 1 HND H4 H . . . 3 3 1 1 HND H5 H . . . . . . . 2.11 . . . . . A . 25 HND H4 . . A . 25 HND H5 . . . 25 HNE H4 . . . . . 25 HNE H51 . . c17791_2lg3 1 225 1 . . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H5A H . . . . . . . 3.27 . . . . . A . 8 DA H2 . . A . 25 HND H5A . . . 8 DA H2 . . . . . 25 HNE H52 . . c17791_2lg3 1 226 1 . . 3 3 1 1 HND H4 H . . . 3 3 1 1 HND H5A H . . . . . . . 1.81 . . . . . A . 25 HND H4 . . A . 25 HND H5A . . . 25 HNE H4 . . . . . 25 HNE H52 . . c17791_2lg3 1 227 1 OR . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H6A H . . . . . . . 3.77 . . . . . A . 8 DA H2 . . A . 25 HND H6A . . . 8 DA H2 . . . . . 25 HNE Q6 . . c17791_2lg3 1 227 2 OR . 1 1 8 8 DA H2 H . . . 3 3 1 1 HND H6 H . . . . . . . 3.77 . . . . . A . 8 DA H2 . . A . 25 HND H6 . . . 8 DA H2 . . . . . 25 HNE Q6 . . c17791_2lg3 1 228 1 OR . 2 2 5 5 DT H1' H . . . 3 3 1 1 HND H6A H . . . . . . . 3.38 . . . . . B . 17 DT H1' . . A . 25 HND H6A . . . 17 DT H1' . . . . . 25 HNE Q6 . . c17791_2lg3 1 228 2 OR . 2 2 5 5 DT H1' H . . . 3 3 1 1 HND H6 H . . . . . . . 3.38 . . . . . B . 17 DT H1' . . A . 25 HND H6 . . . 17 DT H1' . . . . . 25 HNE Q6 . . c17791_2lg3 1 229 1 OR . 3 3 1 1 HND H3 H . . . 3 3 1 1 HND H6A H . . . . . . . 2.72 . . . . . A . 25 HND H3 . . A . 25 HND H6A . . . 25 HNE H3 . . . . . 25 HNE Q6 . . c17791_2lg3 1 229 2 OR . 3 3 1 1 HND H3 H . . . 3 3 1 1 HND H6 H . . . . . . . 2.72 . . . . . A . 25 HND H3 . . A . 25 HND H6 . . . 25 HNE H3 . . . . . 25 HNE Q6 . . c17791_2lg3 1 230 1 OR . 3 3 1 1 HND H4 H . . . 3 3 1 1 HND H6A H . . . . . . . 4.81 . . . . . A . 25 HND H4 . . A . 25 HND H6A . . . 25 HNE H4 . . . . . 25 HNE Q6 . . c17791_2lg3 1 230 2 OR . 3 3 1 1 HND H4 H . . . 3 3 1 1 HND H6 H . . . . . . . 4.81 . . . . . A . 25 HND H4 . . A . 25 HND H6 . . . 25 HNE H4 . . . . . 25 HNE Q6 . . c17791_2lg3 1 231 1 OR . 3 3 1 1 HND H4 H . . . 3 3 1 1 HND H7A H . . . . . . . 3.92 . . . . . A . 25 HND H4 . . A . 25 HND H7A . . . 25 HNE H4 . . . . . 25 HNE Q7 . . c17791_2lg3 1 231 2 OR . 3 3 1 1 HND H4 H . . . 3 3 1 1 HND H7 H . . . . . . . 3.92 . . . . . A . 25 HND H4 . . A . 25 HND H7 . . . 25 HNE H4 . . . . . 25 HNE Q7 . . c17791_2lg3 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c17791_2lg3 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment "*HEADER DNA 19-JUL-11 2LG3 *TITLE STRUCTURE OF THE DUPLEX CONTAINING HNE DERIVED (6S,8R,11S) GAMMA-HO- *TITLE 2 PDG WHEN PLACED OPPOSITE DT *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3'); *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 SYNTHETIC: YES *KEYWDS TRANS-4-HYDROXYNONENAL, GAMMA-HO-PDG, DNA *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR H.HUANG, H.WANG, A.KOZEKOVA, R.S.LLOYD, C.J.RIZZO, M.P.STONE *REVDAT 1 01-AUG-12 2LG3 0" save_