data_c17790_2lg2 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c17790_2lg2 _Entry.Title ; Structure of the duplex containing HNE derived (6S,8R,11S) N2-dG cyclic hemiacetal 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 SOLUTION _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 . . . c17790_2lg2 2 Hao Wang . . . c17790_2lg2 3 Albena Kozekova . . . c17790_2lg2 4 R. LLoyd . S. . c17790_2lg2 5 Carmelo Rizzo . J. . c17790_2lg2 6 Michael Stone . P. . c17790_2lg2 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' . c17790_2lg2 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID trans-4-hydroxynonenal . c17790_2lg2 HNE-dG . c17790_2lg2 'N2-dG cyclic hemiacetal' . c17790_2lg2 HNE . c17790_2lg2 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c17790_2lg2 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 142 c17790_2lg2 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 . c17790_2lg2 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 c17790_2lg2 BMRB 17787 (5'S)-8,5'-cyclo-2'-deoxyadenosine c17790_2lg2 BMRB 17788 "gamma-hydroxy-1,N2-propano-2'-deoxyguanosine adduct" c17790_2lg2 BMRB 17789 (5'S)-8,5'-cyclo-2'-deoxyadenosine c17790_2lg2 BMRB 17791 '(6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct' c17790_2lg2 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c17790_2lg2 _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 . . . c17790_2lg2 1 2 Hao Wang . . . c17790_2lg2 1 3 Albena Kozekova . . . c17790_2lg2 1 4 R. LLoyd . S. . c17790_2lg2 1 5 Carmelo Rizzo . J. . c17790_2lg2 1 6 Michael Stone . P. . c17790_2lg2 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c17790_2lg2 _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 . . . c17790_2lg2 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 . . . c17790_2lg2 1 3 HNE 3 $HNE C . yes native no no . . . c17790_2lg2 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 c17790_2lg2 _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 . c17790_2lg2 1 2 . DC . c17790_2lg2 1 3 . DT . c17790_2lg2 1 4 . DA . c17790_2lg2 1 5 . DG . c17790_2lg2 1 6 . DC . c17790_2lg2 1 7 . DG . c17790_2lg2 1 8 . DA . c17790_2lg2 1 9 . DG . c17790_2lg2 1 10 . DT . c17790_2lg2 1 11 . DC . c17790_2lg2 1 12 . DC . c17790_2lg2 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 c17790_2lg2 1 . DC 2 2 c17790_2lg2 1 . DT 3 3 c17790_2lg2 1 . DA 4 4 c17790_2lg2 1 . DG 5 5 c17790_2lg2 1 . DC 6 6 c17790_2lg2 1 . DG 7 7 c17790_2lg2 1 . DA 8 8 c17790_2lg2 1 . DG 9 9 c17790_2lg2 1 . DT 10 10 c17790_2lg2 1 . DC 11 11 c17790_2lg2 1 . DC 12 12 c17790_2lg2 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 c17790_2lg2 _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 . c17790_2lg2 2 2 . DG . c17790_2lg2 2 3 . DA . c17790_2lg2 2 4 . DC . c17790_2lg2 2 5 . DT . c17790_2lg2 2 6 . DT . c17790_2lg2 2 7 . DG . c17790_2lg2 2 8 . DC . c17790_2lg2 2 9 . DT . c17790_2lg2 2 10 . DA . c17790_2lg2 2 11 . DG . c17790_2lg2 2 12 . DC . c17790_2lg2 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 c17790_2lg2 2 . DG 2 2 c17790_2lg2 2 . DA 3 3 c17790_2lg2 2 . DC 4 4 c17790_2lg2 2 . DT 5 5 c17790_2lg2 2 . DT 6 6 c17790_2lg2 2 . DG 7 7 c17790_2lg2 2 . DC 8 8 c17790_2lg2 2 . DT 9 9 c17790_2lg2 2 . DA 10 10 c17790_2lg2 2 . DG 11 11 c17790_2lg2 2 . DC 12 12 c17790_2lg2 2 stop_ save_ save_HNE _Entity.Sf_category entity _Entity.Sf_framecode HNE _Entity.Entry_ID c17790_2lg2 _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 . c17790_2lg2 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 c17790_2lg2 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17790_2lg2 1 2 2 $DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17790_2lg2 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 c17790_2lg2 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17790_2lg2 1 2 2 $DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17790_2lg2 1 3 3 $HNE . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17790_2lg2 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 c17790_2lg2 _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 Wed Aug 3 14:59:09 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 c17790_2lg2 HNE CCCCC[C@@H](O)/C=C/C=O SMILES_CANONICAL CACTVS 3.341 c17790_2lg2 HNE CCCCC[CH](O)C=CC=O SMILES CACTVS 3.341 c17790_2lg2 HNE CCCCC[C@H](C=CC=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c17790_2lg2 HNE CCCCCC(C=CC=O)O SMILES 'OpenEye OEToolkits' 1.5.0 c17790_2lg2 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 c17790_2lg2 HNE JVJFIQYAHPMBBX-VPIOIWJLSA-N InChIKey InChI 1.03 c17790_2lg2 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 c17790_2lg2 HNE (4R)-4-hydroxynon-2-enal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c17790_2lg2 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 . c17790_2lg2 HNE C2 . C2 . . C . . N 0 . . . . no no . . . . 35.519 . 4.751 . 80.036 . 2.099 0.988 -0.128 2 . c17790_2lg2 HNE C3 . C3 . . C . . N 0 . . . . no no . . . . 36.748 . 4.468 . 79.647 . 1.238 -0.006 0.122 3 . c17790_2lg2 HNE C4 . C4 . . C . . R 0 . . . . no no . . . . 37.917 . 4.407 . 80.651 . 1.661 -1.439 0.283 4 . c17790_2lg2 HNE C5 . C5 . . C . . N 0 . . . . no no . . . . 39.104 . 3.655 . 80.016 . 1.225 -2.038 1.627 5 . c17790_2lg2 HNE C6 . C6 . . C . . N 0 . . . . no no . . . . 39.898 . 2.914 . 81.107 . 1.768 -1.267 2.834 6 . c17790_2lg2 HNE C7 . C7 . . C . . N 0 . . . . no no . . . . 39.596 . 1.404 . 81.065 . 1.308 -1.843 4.177 7 . c17790_2lg2 HNE C8 . C8 . . C . . N 0 . . . . no no . . . . 40.383 . 0.696 . 82.183 . 1.834 -1.063 5.383 8 . c17790_2lg2 HNE C9 . C9 . . C . . N 0 . . . . no no . . . . 41.403 . -0.277 . 81.565 . 1.412 -1.714 6.691 9 . c17790_2lg2 HNE O10 . O10 . . O . . N 0 . . . . no no . . . . 38.315 . 5.715 . 80.995 . 1.047 -2.210 -0.751 10 . c17790_2lg2 HNE O11 . O11 . . O . . N 0 . . . . no no . . . . 33.189 . 4.451 . 79.547 . 2.328 3.312 -0.498 11 . c17790_2lg2 HNE H2 . H2 . . H . . N 0 . . . . no no . . . . 35.348 . 5.227 . 81.016 . 3.166 0.826 -0.229 12 . c17790_2lg2 HNE H3 . H3 . . H . . N 0 . . . . no no . . . . 36.944 . 4.271 . 78.580 . 0.175 0.203 0.216 13 . c17790_2lg2 HNE H4 . H4 . . H . . N 0 . . . . no no . . . . 37.587 . 3.868 . 81.570 . 2.746 -1.552 0.171 14 . c17790_2lg2 HNE H5C1 . H5C1 . . H . . N 0 . . . . no no . . . . 39.753 . 4.331 . 79.412 . 1.566 -3.080 1.674 15 . c17790_2lg2 HNE H5C2 . H5C2 . . H . . N 0 . . . . no no . . . . 38.777 . 2.971 . 79.198 . 0.129 -2.086 1.665 16 . c17790_2lg2 HNE H10 . H10 . . H . . N 0 . . . . no no . . . . 39.035 . 5.677 . 81.614 . 1.769 -2.616 -1.254 17 . c17790_2lg2 HNE H6C1 . H6C1 . . H . . N 0 . . . . no no . . . . 39.713 . 3.345 . 82.118 . 2.865 -1.294 2.809 18 . c17790_2lg2 HNE H6C2 . H6C2 . . H . . N 0 . . . . no no . . . . 40.992 . 3.120 . 81.035 . 1.475 -0.212 2.775 19 . c17790_2lg2 HNE H7C1 . H7C1 . . H . . N 0 . . . . no no . . . . 39.796 . 0.961 . 80.062 . 0.213 -1.879 4.207 20 . c17790_2lg2 HNE H7C2 . H7C2 . . H . . N 0 . . . . no no . . . . 38.503 . 1.190 . 81.117 . 1.660 -2.880 4.242 21 . c17790_2lg2 HNE H8C1 . H8C1 . . H . . N 0 . . . . no no . . . . 39.710 . 0.190 . 82.914 . 1.457 -0.035 5.366 22 . c17790_2lg2 HNE H8C2 . H8C2 . . H . . N 0 . . . . no no . . . . 40.864 . 1.420 . 82.881 . 2.928 -1.010 5.344 23 . c17790_2lg2 HNE H9C1 . H9C1 . . H . . N 0 . . . . no no . . . . 41.973 . -0.790 . 82.375 . 0.322 -1.756 6.774 24 . c17790_2lg2 HNE H9C2 . H9C2 . . H . . N 0 . . . . no no . . . . 42.076 . 0.229 . 80.834 . 1.803 -2.734 6.766 25 . c17790_2lg2 HNE H9C3 . H9C3 . . H . . N 0 . . . . no no . . . . 40.922 . -1.001 . 80.867 . 1.796 -1.140 7.540 26 . c17790_2lg2 HNE H1 . H1 . . H . . N 0 . . . . no no . . . . 34.497 . 4.152 . 78.090 . 0.497 2.494 -0.160 27 . c17790_2lg2 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 . c17790_2lg2 HNE 2 . DOUB C1 O11 no N 2 . c17790_2lg2 HNE 3 . SING C1 H1 no N 3 . c17790_2lg2 HNE 4 . DOUB C2 C3 no N 4 . c17790_2lg2 HNE 5 . SING C2 H2 no N 5 . c17790_2lg2 HNE 6 . SING C3 C4 no N 6 . c17790_2lg2 HNE 7 . SING C3 H3 no N 7 . c17790_2lg2 HNE 8 . SING C4 C5 no N 8 . c17790_2lg2 HNE 9 . SING C4 O10 no N 9 . c17790_2lg2 HNE 10 . SING C4 H4 no N 10 . c17790_2lg2 HNE 11 . SING C5 C6 no N 11 . c17790_2lg2 HNE 12 . SING C5 H5C1 no N 12 . c17790_2lg2 HNE 13 . SING C5 H5C2 no N 13 . c17790_2lg2 HNE 14 . SING C6 C7 no N 14 . c17790_2lg2 HNE 15 . SING C6 H6C1 no N 15 . c17790_2lg2 HNE 16 . SING C6 H6C2 no N 16 . c17790_2lg2 HNE 17 . SING C7 C8 no N 17 . c17790_2lg2 HNE 18 . SING C7 H7C1 no N 18 . c17790_2lg2 HNE 19 . SING C7 H7C2 no N 19 . c17790_2lg2 HNE 20 . SING C8 C9 no N 20 . c17790_2lg2 HNE 21 . SING C8 H8C1 no N 21 . c17790_2lg2 HNE 22 . SING C8 H8C2 no N 22 . c17790_2lg2 HNE 23 . SING C9 H9C1 no N 23 . c17790_2lg2 HNE 24 . SING C9 H9C2 no N 24 . c17790_2lg2 HNE 25 . SING C9 H9C3 no N 25 . c17790_2lg2 HNE 26 . SING O10 H10 no N 26 . c17790_2lg2 HNE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c17790_2lg2 _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 . . . . c17790_2lg2 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 . . . . c17790_2lg2 1 3 HNE 'natural abundance' . . 3 $HNE . . 1 . . mM . . . . c17790_2lg2 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . c17790_2lg2 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 c17790_2lg2 _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 c17790_2lg2 1 pH 7.0 . pH c17790_2lg2 1 pressure 1 . atm c17790_2lg2 1 'ionic strength' 100 . mM c17790_2lg2 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID c17790_2lg2 _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' . . c17790_2lg2 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c17790_2lg2 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 c17790_2lg2 _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 c17790_2lg2 _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 . . . c17790_2lg2 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 c17790_2lg2 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17790_2lg2 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID c17790_2lg2 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AMBER _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 c17790_2lg2 _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 . . . . . . . . . c17790_2lg2 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 c17790_2lg2 _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' . . . c17790_2lg2 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 6.056 . . . . . . A 1 DG H1' . c17790_2lg2 1 2 . 1 1 1 1 DG H2' H 1 2.710 . . . . . . A 1 DG H2' . c17790_2lg2 1 3 . 1 1 1 1 DG H2'' H 1 2.829 . . 2 . . . A 1 DG H2'' . c17790_2lg2 1 4 . 1 1 1 1 DG H3' H 1 4.886 . . . . . . A 1 DG H3' . c17790_2lg2 1 5 . 1 1 1 1 DG H8 H 1 8.023 . . 1 . . . A 1 DG H8 . c17790_2lg2 1 6 . 1 1 2 2 DC H1' H 1 6.099 . . . . . . A 2 DC H1' . c17790_2lg2 1 7 . 1 1 2 2 DC H2' H 1 2.165 . . . . . . A 2 DC H2' . c17790_2lg2 1 8 . 1 1 2 2 DC H2'' H 1 2.554 . . 2 . . . A 2 DC H2'' . c17790_2lg2 1 9 . 1 1 2 2 DC H3' H 1 4.864 . . . . . . A 2 DC H3' . c17790_2lg2 1 10 . 1 1 2 2 DC H5 H 1 5.433 . . 1 . . . A 2 DC H5 . c17790_2lg2 1 11 . 1 1 2 2 DC H6 H 1 7.574 . . 1 . . . A 2 DC H6 . c17790_2lg2 1 12 . 1 1 3 3 DT H1' H 1 5.591 . . . . . . A 3 DT H1' . c17790_2lg2 1 13 . 1 1 3 3 DT H2' H 1 2.183 . . . . . . A 3 DT H2' . c17790_2lg2 1 14 . 1 1 3 3 DT H2'' H 1 2.449 . . 2 . . . A 3 DT H2'' . c17790_2lg2 1 15 . 1 1 3 3 DT H3' H 1 4.902 . . . . . . A 3 DT H3' . c17790_2lg2 1 16 . 1 1 3 3 DT H6 H 1 7.446 . . 1 . . . A 3 DT H6 . c17790_2lg2 1 17 . 1 1 3 3 DT H71 H 1 1.713 . . 1 . . . A 3 DT H7 . c17790_2lg2 1 18 . 1 1 3 3 DT H72 H 1 1.713 . . 1 . . . A 3 DT H7 . c17790_2lg2 1 19 . 1 1 3 3 DT H73 H 1 1.713 . . 1 . . . A 3 DT H7 . c17790_2lg2 1 20 . 1 1 4 4 DA H1' H 1 6.084 . . . . . . A 4 DA H1' . c17790_2lg2 1 21 . 1 1 4 4 DA H2' H 1 2.763 . . . . . . A 4 DA H2' . c17790_2lg2 1 22 . 1 1 4 4 DA H2'' H 1 2.928 . . 2 . . . A 4 DA H2'' . c17790_2lg2 1 23 . 1 1 4 4 DA H3' H 1 5.087 . . . . . . A 4 DA H3' . c17790_2lg2 1 24 . 1 1 4 4 DA H8 H 1 8.223 . . 1 . . . A 4 DA H8 . c17790_2lg2 1 25 . 1 1 5 5 DG H1' H 1 5.718 . . . . . . A 5 DG H1' . c17790_2lg2 1 26 . 1 1 5 5 DG H2' H 1 2.493 . . . . . . A 5 DG H2' . c17790_2lg2 1 27 . 1 1 5 5 DG H2'' H 1 2.670 . . 2 . . . A 5 DG H2'' . c17790_2lg2 1 28 . 1 1 5 5 DG H3' H 1 4.994 . . . . . . A 5 DG H3' . c17790_2lg2 1 29 . 1 1 5 5 DG H8 H 1 7.669 . . 1 . . . A 5 DG H8 . c17790_2lg2 1 30 . 1 1 6 6 DC H1' H 1 5.583 . . . . . . A 6 DC H1' . c17790_2lg2 1 31 . 1 1 6 6 DC H2' H 1 2.138 . . . . . . A 6 DC H2' . c17790_2lg2 1 32 . 1 1 6 6 DC H2'' H 1 2.356 . . 2 . . . A 6 DC H2'' . c17790_2lg2 1 33 . 1 1 6 6 DC H5 H 1 5.381 . . 1 . . . A 6 DC H5 . c17790_2lg2 1 34 . 1 1 6 6 DC H6 H 1 7.350 . . 1 . . . A 6 DC H6 . c17790_2lg2 1 35 . 1 1 7 7 DG H1' H 1 6.012 . . . . . . A 7 DG H1' . c17790_2lg2 1 36 . 1 1 7 7 DG H2' H 1 2.565 . . . . . . A 7 DG H2' . c17790_2lg2 1 37 . 1 1 7 7 DG H2'' H 1 2.885 . . 2 . . . A 7 DG H2'' . c17790_2lg2 1 38 . 1 1 7 7 DG H3' H 1 5.029 . . . . . . A 7 DG H3' . c17790_2lg2 1 39 . 1 1 7 7 DG H8 H 1 7.758 . . 1 . . . A 7 DG H8 . c17790_2lg2 1 40 . 1 1 8 8 DA H1' H 1 6.033 . . . . . . A 8 DA H1' . c17790_2lg2 1 41 . 1 1 8 8 DA H2 H 1 7.553 . . 1 . . . A 8 DA H2 . c17790_2lg2 1 42 . 1 1 8 8 DA H2' H 1 2.683 . . . . . . A 8 DA H2' . c17790_2lg2 1 43 . 1 1 8 8 DA H2'' H 1 2.832 . . 2 . . . A 8 DA H2'' . c17790_2lg2 1 44 . 1 1 8 8 DA H3' H 1 5.052 . . . . . . A 8 DA H3' . c17790_2lg2 1 45 . 1 1 8 8 DA H8 H 1 8.001 . . 1 . . . A 8 DA H8 . c17790_2lg2 1 46 . 1 1 9 9 DG H1' H 1 5.834 . . . . . . A 9 DG H1' . c17790_2lg2 1 47 . 1 1 9 9 DG H2' H 1 2.452 . . . . . . A 9 DG H2' . c17790_2lg2 1 48 . 1 1 9 9 DG H2'' H 1 2.674 . . 2 . . . A 9 DG H2'' . c17790_2lg2 1 49 . 1 1 9 9 DG H3' H 1 4.834 . . . . . . A 9 DG H3' . c17790_2lg2 1 50 . 1 1 9 9 DG H8 H 1 7.470 . . 1 . . . A 9 DG H8 . c17790_2lg2 1 51 . 1 1 10 10 DT H1' H 1 6.097 . . . . . . A 10 DT H1' . c17790_2lg2 1 52 . 1 1 10 10 DT H2' H 1 2.181 . . . . . . A 10 DT H2' . c17790_2lg2 1 53 . 1 1 10 10 DT H2'' H 1 2.571 . . 2 . . . A 10 DT H2'' . c17790_2lg2 1 54 . 1 1 10 10 DT H3' H 1 4.887 . . . . . . A 10 DT H3' . c17790_2lg2 1 55 . 1 1 10 10 DT H6 H 1 7.280 . . 1 . . . A 10 DT H6 . c17790_2lg2 1 56 . 1 1 10 10 DT H71 H 1 1.228 . . 1 . . . A 10 DT H7 . c17790_2lg2 1 57 . 1 1 10 10 DT H72 H 1 1.228 . . 1 . . . A 10 DT H7 . c17790_2lg2 1 58 . 1 1 10 10 DT H73 H 1 1.228 . . 1 . . . A 10 DT H7 . c17790_2lg2 1 59 . 1 1 11 11 DC H1' H 1 6.132 . . . . . . A 11 DC H1' . c17790_2lg2 1 60 . 1 1 11 11 DC H2' H 1 2.268 . . . . . . A 11 DC H2' . c17790_2lg2 1 61 . 1 1 11 11 DC H2'' H 1 2.537 . . 2 . . . A 11 DC H2'' . c17790_2lg2 1 62 . 1 1 11 11 DC H3' H 1 4.881 . . . . . . A 11 DC H3' . c17790_2lg2 1 63 . 1 1 11 11 DC H5 H 1 5.740 . . 1 . . . A 11 DC H5 . c17790_2lg2 1 64 . 1 1 11 11 DC H6 H 1 7.631 . . 1 . . . A 11 DC H6 . c17790_2lg2 1 65 . 1 1 12 12 DC H1' H 1 6.298 . . . . . . A 12 DC H1' . c17790_2lg2 1 66 . 1 1 12 12 DC H2' H 1 2.318 . . . . . . A 12 DC H2' . c17790_2lg2 1 67 . 1 1 12 12 DC H3' H 1 4.605 . . . . . . A 12 DC H3' . c17790_2lg2 1 68 . 1 1 12 12 DC H5 H 1 5.869 . . 1 . . . A 12 DC H5 . c17790_2lg2 1 69 . 1 1 12 12 DC H6 H 1 7.729 . . 1 . . . A 12 DC H6 . c17790_2lg2 1 70 . 2 2 1 1 DG H1' H 1 5.678 . . . . . . . 13 DG H1' . c17790_2lg2 1 71 . 2 2 1 1 DG H2' H 1 2.504 . . . . . . . 13 DG H2' . c17790_2lg2 1 72 . 2 2 1 1 DG H2'' H 1 2.688 . . 2 . . . . 13 DG H2'' . c17790_2lg2 1 73 . 2 2 1 1 DG H3' H 1 4.845 . . . . . . . 13 DG H3' . c17790_2lg2 1 74 . 2 2 1 1 DG H8 H 1 7.867 . . 1 . . . . 13 DG H8 . c17790_2lg2 1 75 . 2 2 2 2 DG H1' H 1 5.619 . . . . . . . 14 DG H1' . c17790_2lg2 1 76 . 2 2 2 2 DG H2' H 1 2.732 . . . . . . . 14 DG H2' . c17790_2lg2 1 77 . 2 2 2 2 DG H2'' H 1 2.824 . . 2 . . . . 14 DG H2'' . c17790_2lg2 1 78 . 2 2 2 2 DG H3' H 1 5.057 . . . . . . . 14 DG H3' . c17790_2lg2 1 79 . 2 2 2 2 DG H8 H 1 7.880 . . 1 . . . . 14 DG H8 . c17790_2lg2 1 80 . 2 2 3 3 DA H1' H 1 6.325 . . . . . . . 15 DA H1' . c17790_2lg2 1 81 . 2 2 3 3 DA H2 H 1 7.985 . . 1 . . . . 15 DA H2 . c17790_2lg2 1 82 . 2 2 3 3 DA H2' H 1 2.759 . . . . . . . 15 DA H2' . c17790_2lg2 1 83 . 2 2 3 3 DA H2'' H 1 2.971 . . 2 . . . . 15 DA H2'' . c17790_2lg2 1 84 . 2 2 3 3 DA H3' H 1 5.100 . . . . . . . 15 DA H3' . c17790_2lg2 1 85 . 2 2 3 3 DA H8 H 1 8.238 . . 1 . . . . 15 DA H8 . c17790_2lg2 1 86 . 2 2 4 4 DC H1' H 1 5.866 . . . . . . . 16 DC H1' . c17790_2lg2 1 87 . 2 2 4 4 DC H2' H 1 1.950 . . . . . . . 16 DC H2' . c17790_2lg2 1 88 . 2 2 4 4 DC H2'' H 1 2.516 . . 2 . . . . 16 DC H2'' . c17790_2lg2 1 89 . 2 2 4 4 DC H5 H 1 5.244 . . 1 . . . . 16 DC H5 . c17790_2lg2 1 90 . 2 2 4 4 DC H6 H 1 7.276 . . 1 . . . . 16 DC H6 . c17790_2lg2 1 91 . 2 2 5 5 DT H1' H 1 6.112 . . . . . . . 17 DT H1' . c17790_2lg2 1 92 . 2 2 5 5 DT H2' H 1 2.086 . . . . . . . 17 DT H2' . c17790_2lg2 1 93 . 2 2 5 5 DT H2'' H 1 2.625 . . 2 . . . . 17 DT H2'' . c17790_2lg2 1 94 . 2 2 5 5 DT H3' H 1 4.892 . . . . . . . 17 DT H3' . c17790_2lg2 1 95 . 2 2 5 5 DT H6 H 1 7.336 . . 1 . . . . 17 DT H6 . c17790_2lg2 1 96 . 2 2 5 5 DT H71 H 1 1.518 . . 1 . . . . 17 DT H7 . c17790_2lg2 1 97 . 2 2 5 5 DT H72 H 1 1.518 . . 1 . . . . 17 DT H7 . c17790_2lg2 1 98 . 2 2 5 5 DT H73 H 1 1.518 . . 1 . . . . 17 DT H7 . c17790_2lg2 1 99 . 2 2 6 6 DT H1' H 1 5.657 . . . . . . . 18 DT H1' . c17790_2lg2 1 100 . 2 2 6 6 DT H2' H 1 2.129 . . . . . . . 18 DT H2' . c17790_2lg2 1 101 . 2 2 6 6 DT H2'' H 1 2.423 . . 2 . . . . 18 DT H2'' . c17790_2lg2 1 102 . 2 2 6 6 DT H3' H 1 4.913 . . . . . . . 18 DT H3' . c17790_2lg2 1 103 . 2 2 6 6 DT H6 H 1 7.342 . . 1 . . . . 18 DT H6 . c17790_2lg2 1 104 . 2 2 6 6 DT H71 H 1 1.781 . . 1 . . . . 18 DT H7 . c17790_2lg2 1 105 . 2 2 6 6 DT H72 H 1 1.781 . . 1 . . . . 18 DT H7 . c17790_2lg2 1 106 . 2 2 6 6 DT H73 H 1 1.781 . . 1 . . . . 18 DT H7 . c17790_2lg2 1 107 . 2 2 7 7 DG H1' H 1 5.866 . . . . . . . 19 DG H1' . c17790_2lg2 1 108 . 2 2 7 7 DG H2' H 1 2.625 . . . . . . . 19 DG H2' . c17790_2lg2 1 109 . 2 2 7 7 DG H2'' H 1 2.739 . . 2 . . . . 19 DG H2'' . c17790_2lg2 1 110 . 2 2 7 7 DG H3' H 1 5.016 . . . . . . . 19 DG H3' . c17790_2lg2 1 111 . 2 2 7 7 DG H8 H 1 7.964 . . 1 . . . . 19 DG H8 . c17790_2lg2 1 112 . 2 2 8 8 DC H1' H 1 5.881 . . . . . . . 20 DC H1' . c17790_2lg2 1 113 . 2 2 8 8 DC H2' H 1 2.093 . . . . . . . 20 DC H2' . c17790_2lg2 1 114 . 2 2 8 8 DC H3' H 1 4.678 . . . . . . . 20 DC H3' . c17790_2lg2 1 115 . 2 2 8 8 DC H5 H 1 5.314 . . 1 . . . . 20 DC H5 . c17790_2lg2 1 116 . 2 2 8 8 DC H6 H 1 7.486 . . 1 . . . . 20 DC H6 . c17790_2lg2 1 117 . 2 2 9 9 DT H1' H 1 5.589 . . . . . . . 21 DT H1' . c17790_2lg2 1 118 . 2 2 9 9 DT H2' H 1 2.157 . . . . . . . 21 DT H2' . c17790_2lg2 1 119 . 2 2 9 9 DT H2'' H 1 2.448 . . 2 . . . . 21 DT H2'' . c17790_2lg2 1 120 . 2 2 9 9 DT H3' H 1 4.904 . . . . . . . 21 DT H3' . c17790_2lg2 1 121 . 2 2 9 9 DT H6 H 1 7.453 . . 1 . . . . 21 DT H6 . c17790_2lg2 1 122 . 2 2 9 9 DT H71 H 1 1.678 . . 1 . . . . 21 DT H7 . c17790_2lg2 1 123 . 2 2 9 9 DT H72 H 1 1.678 . . 1 . . . . 21 DT H7 . c17790_2lg2 1 124 . 2 2 9 9 DT H73 H 1 1.678 . . 1 . . . . 21 DT H7 . c17790_2lg2 1 125 . 2 2 10 10 DA H2 H 1 7.513 . . 1 . . . . 22 DA H2 . c17790_2lg2 1 126 . 2 2 10 10 DA H8 H 1 8.249 . . 1 . . . . 22 DA H8 . c17790_2lg2 1 127 . 2 2 11 11 DG H1' H 1 5.840 . . . . . . . 23 DG H1' . c17790_2lg2 1 128 . 2 2 11 11 DG H2' H 1 2.526 . . . . . . . 23 DG H2' . c17790_2lg2 1 129 . 2 2 11 11 DG H2'' H 1 2.681 . . 2 . . . . 23 DG H2'' . c17790_2lg2 1 130 . 2 2 11 11 DG H3' H 1 4.980 . . . . . . . 23 DG H3' . c17790_2lg2 1 131 . 2 2 11 11 DG H8 H 1 7.723 . . 1 . . . . 23 DG H8 . c17790_2lg2 1 132 . 2 2 12 12 DC H1' H 1 6.173 . . . . . . . 24 DC H1' . c17790_2lg2 1 133 . 2 2 12 12 DC H2' H 1 2.151 . . . . . . . 24 DC H2' . c17790_2lg2 1 134 . 2 2 12 12 DC H2'' H 1 2.229 . . 2 . . . . 24 DC H2'' . c17790_2lg2 1 135 . 2 2 12 12 DC H3' H 1 4.496 . . . . . . . 24 DC H3' . c17790_2lg2 1 136 . 2 2 12 12 DC H5 H 1 5.437 . . 1 . . . . 24 DC H5 . c17790_2lg2 1 137 . 2 2 12 12 DC H6 H 1 7.452 . . 1 . . . . 24 DC H6 . c17790_2lg2 1 138 . 3 3 1 1 HNE H1 H 1 5.568 . . . . . . . 25 HNE H1 . c17790_2lg2 1 139 . 3 3 1 1 HNE H2 H 1 2.130 . . . . . . . 25 HNE H21 . c17790_2lg2 1 140 . 3 3 1 1 HNE H3 H 1 2.284 . . . . . . . 25 HNE H22 . c17790_2lg2 1 141 . 3 3 1 1 HNE H4 H 1 4.323 . . . . . . . 25 HNE H4 . c17790_2lg2 1 142 . 3 3 1 1 HNE H5C1 H 1 1.297 . . . . . . . 25 HNE H51 . c17790_2lg2 1 143 . 3 3 1 1 HNE H5C2 H 1 1.637 . . . . . . . 25 HNE H52 . c17790_2lg2 1 144 . 3 3 1 1 HNE H6C1 H 1 1.477 . . . . . . . 25 HNE H6 . c17790_2lg2 1 145 . 3 3 1 1 HNE H6C2 H 1 1.477 . . . . . . . 25 HNE H6 . c17790_2lg2 1 146 . 3 3 1 1 HNE H7C1 H 1 1.414 . . . . . . . 25 HNE H7 . c17790_2lg2 1 147 . 3 3 1 1 HNE H7C2 H 1 1.414 . . . . . . . 25 HNE H7 . c17790_2lg2 1 148 . 3 3 1 1 HNE H8C1 H 1 1.443 . . . . . . . 25 HNE H8 . c17790_2lg2 1 149 . 3 3 1 1 HNE H8C2 H 1 1.443 . . . . . . . 25 HNE H8 . c17790_2lg2 1 150 . 3 3 1 1 HNE H9C1 H 1 1.001 . . . . . . . 25 HNE H9 . c17790_2lg2 1 151 . 3 3 1 1 HNE H9C2 H 1 1.001 . . . . . . . 25 HNE H9 . c17790_2lg2 1 152 . 3 3 1 1 HNE H9C3 H 1 1.001 . . . . . . . 25 HNE H9 . c17790_2lg2 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 c17790_2lg2 _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 c17790_2lg2 _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 . . . c17790_2lg2 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 . . . . c17790_2lg2 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 -8.797 7.118 1.176 . . . 1.0 . . . . . . . . . . . . A . 1 DG C1' . . . . . . . . . c17790_2lg2 1 . 1 . 2 . 1 1 1 DG C2 C -8.849 3.072 -0.306 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2 . . . . . . . . . c17790_2lg2 1 . 1 . 3 . 1 1 1 DG C2' C -8.167 7.941 2.301 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2' . . . . . . . . . c17790_2lg2 1 . 1 . 4 . 1 1 1 DG C3' C -8.862 9.317 2.266 . . . 1.0 . . . . . . . . . . . . A . 1 DG C3' . . . . . . . . . c17790_2lg2 1 . 1 . 5 . 1 1 1 DG C4 C -7.938 5.096 -0.056 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4 . . . . . . . . . c17790_2lg2 1 . 1 . 6 . 1 1 1 DG C4' C -10.007 9.045 1.267 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4' . . . . . . . . . c17790_2lg2 1 . 1 . 7 . 1 1 1 DG C5 C -6.801 4.803 -0.784 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5 . . . . . . . . . c17790_2lg2 1 . 1 . 8 . 1 1 1 DG C5' C -10.489 10.275 0.488 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5' . . . . . . . . . c17790_2lg2 1 . 1 . 9 . 1 1 1 DG C6 C -6.694 3.472 -1.335 . . . 1.0 . . . . . . . . . . . . A . 1 DG C6 . . . . . . . . . c17790_2lg2 1 . 1 . 10 . 1 1 1 DG C8 C -6.610 6.842 -0.222 . . . 1.0 . . . . . . . . . . . . A . 1 DG C8 . . . . . . . . . c17790_2lg2 1 . 1 . 11 . 1 1 1 DG H1 H -7.751 1.726 -1.410 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1 . . . . . . . . . c17790_2lg2 1 . 1 . 12 . 1 1 1 DG H1' H -9.456 6.394 1.656 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1' . . . . . . . . . c17790_2lg2 1 . 1 . 13 . 1 1 1 DG H2' H -7.088 8.038 2.174 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2' . . . . . . . . . c17790_2lg2 1 . 1 . 14 . 1 1 1 DG H2'' H -8.344 7.410 3.236 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 15 . 1 1 1 DG H21 H -10.612 2.529 0.416 . . . 1.0 . . . . . . . . . . . . A . 1 DG H21 . . . . . . . . . c17790_2lg2 1 . 1 . 16 . 1 1 1 DG H22 H -9.781 1.284 -0.515 . . . 1.0 . . . . . . . . . . . . A . 1 DG H22 . . . . . . . . . c17790_2lg2 1 . 1 . 17 . 1 1 1 DG H3' H -8.180 10.020 1.787 . . . 1.0 . . . . . . . . . . . . A . 1 DG H3' . . . . . . . . . c17790_2lg2 1 . 1 . 18 . 1 1 1 DG H4' H -10.877 8.666 1.804 . . . 1.0 . . . . . . . . . . . . A . 1 DG H4' . . . . . . . . . c17790_2lg2 1 . 1 . 19 . 1 1 1 DG H5' H -11.232 9.972 -0.249 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5' . . . . . . . . . c17790_2lg2 1 . 1 . 20 . 1 1 1 DG H5'' H -10.961 10.961 1.191 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 21 . 1 1 1 DG H8 H -6.232 7.847 -0.108 . . . 1.0 . . . . . . . . . . . . A . 1 DG H8 . . . . . . . . . c17790_2lg2 1 . 1 . 22 . 1 1 1 DG HO5' H -9.742 11.621 -0.723 . . . 1.0 . . . . . . . . . . . . A . 1 DG HO5' . . . . . . . . . c17790_2lg2 1 . 1 . 23 . 1 1 1 DG N1 N -7.776 2.666 -1.041 . . . 1.0 . . . . . . . . . . . . A . 1 DG N1 . . . . . . . . . c17790_2lg2 1 . 1 . 24 . 1 1 1 DG N2 N -9.816 2.212 -0.118 . . . 1.0 . . . . . . . . . . . . A . 1 DG N2 . . . . . . . . . c17790_2lg2 1 . 1 . 25 . 1 1 1 DG N3 N -8.994 4.270 0.235 . . . 1.0 . . . . . . . . . . . . A . 1 DG N3 . . . . . . . . . c17790_2lg2 1 . 1 . 26 . 1 1 1 DG N7 N -5.973 5.924 -0.913 . . . 1.0 . . . . . . . . . . . . A . 1 DG N7 . . . . . . . . . c17790_2lg2 1 . 1 . 27 . 1 1 1 DG N9 N -7.806 6.407 0.330 . . . 1.0 . . . . . . . . . . . . A . 1 DG N9 . . . . . . . . . c17790_2lg2 1 . 1 . 28 . 1 1 1 DG O3' O -9.187 9.820 3.556 . . . 1.0 . . . . . . . . . . . . A . 1 DG O3' . . . . . . . . . c17790_2lg2 1 . 1 . 29 . 1 1 1 DG O4' O -9.542 8.026 0.386 . . . 1.0 . . . . . . . . . . . . A . 1 DG O4' . . . . . . . . . c17790_2lg2 1 . 1 . 30 . 1 1 1 DG O5' O -9.413 10.885 -0.203 . . . 1.0 . . . . . . . . . . . . A . 1 DG O5' . . . . . . . . . c17790_2lg2 1 . 1 . 31 . 1 1 1 DG O6 O -5.824 2.968 -2.048 . . . 1.0 . . . . . . . . . . . . A . 1 DG O6 . . . . . . . . . c17790_2lg2 1 . 1 . 32 . 1 1 2 DC C1' C -9.559 3.841 4.042 . . . 1.0 . . . . . . . . . . . . A . 2 DC C1' . . . . . . . . . c17790_2lg2 1 . 1 . 33 . 1 1 2 DC C2 C -7.769 2.560 2.940 . . . 1.0 . . . . . . . . . . . . A . 2 DC C2 . . . . . . . . . c17790_2lg2 1 . 1 . 34 . 1 1 2 DC C2' C -9.705 3.928 5.578 . . . 1.0 . . . . . . . . . . . . A . 2 DC C2' . . . . . . . . . c17790_2lg2 1 . 1 . 35 . 1 1 2 DC C3' C -10.780 4.979 5.812 . . . 1.0 . . . . . . . . . . . . A . 2 DC C3' . . . . . . . . . c17790_2lg2 1 . 1 . 36 . 1 1 2 DC C4 C -5.756 3.528 2.459 . . . 1.0 . . . . . . . . . . . . A . 2 DC C4 . . . . . . . . . c17790_2lg2 1 . 1 . 37 . 1 1 2 DC C4' C -11.157 5.422 4.387 . . . 1.0 . . . . . . . . . . . . A . 2 DC C4' . . . . . . . . . c17790_2lg2 1 . 1 . 38 . 1 1 2 DC C5 C -6.038 4.679 3.234 . . . 1.0 . . . . . . . . . . . . A . 2 DC C5 . . . . . . . . . c17790_2lg2 1 . 1 . 39 . 1 1 2 DC C5' C -11.445 6.899 4.208 . . . 1.0 . . . . . . . . . . . . A . 2 DC C5' . . . . . . . . . c17790_2lg2 1 . 1 . 40 . 1 1 2 DC C6 C -7.243 4.714 3.864 . . . 1.0 . . . . . . . . . . . . A . 2 DC C6 . . . . . . . . . c17790_2lg2 1 . 1 . 41 . 1 1 2 DC H1' H -10.169 3.011 3.686 . . . 1.0 . . . . . . . . . . . . A . 2 DC H1' . . . . . . . . . c17790_2lg2 1 . 1 . 42 . 1 1 2 DC H2' H -8.786 4.235 6.077 . . . 1.0 . . . . . . . . . . . . A . 2 DC H2' . . . . . . . . . c17790_2lg2 1 . 1 . 43 . 1 1 2 DC H2'' H -10.009 2.944 5.936 . . . 1.0 . . . . . . . . . . . . A . 2 DC H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 44 . 1 1 2 DC H3' H -10.311 5.828 6.309 . . . 1.0 . . . . . . . . . . . . A . 2 DC H3' . . . . . . . . . c17790_2lg2 1 . 1 . 45 . 1 1 2 DC H4' H -12.056 4.879 4.095 . . . 1.0 . . . . . . . . . . . . A . 2 DC H4' . . . . . . . . . c17790_2lg2 1 . 1 . 46 . 1 1 2 DC H41 H -3.944 4.192 1.893 . . . 1.0 . . . . . . . . . . . . A . 2 DC H41 . . . . . . . . . c17790_2lg2 1 . 1 . 47 . 1 1 2 DC H42 H -4.418 2.590 1.328 . . . 1.0 . . . . . . . . . . . . A . 2 DC H42 . . . . . . . . . c17790_2lg2 1 . 1 . 48 . 1 1 2 DC H5 H -5.336 5.484 3.390 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5 . . . . . . . . . c17790_2lg2 1 . 1 . 49 . 1 1 2 DC H5' H -11.678 7.099 3.162 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5' . . . . . . . . . c17790_2lg2 1 . 1 . 50 . 1 1 2 DC H5'' H -12.326 7.157 4.796 . . . 1.0 . . . . . . . . . . . . A . 2 DC H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 51 . 1 1 2 DC H6 H -7.518 5.531 4.514 . . . 1.0 . . . . . . . . . . . . A . 2 DC H6 . . . . . . . . . c17790_2lg2 1 . 1 . 52 . 1 1 2 DC N1 N -8.147 3.700 3.643 . . . 1.0 . . . . . . . . . . . . A . 2 DC N1 . . . . . . . . . c17790_2lg2 1 . 1 . 53 . 1 1 2 DC N3 N -6.563 2.492 2.338 . . . 1.0 . . . . . . . . . . . . A . 2 DC N3 . . . . . . . . . c17790_2lg2 1 . 1 . 54 . 1 1 2 DC N4 N -4.627 3.452 1.811 . . . 1.0 . . . . . . . . . . . . A . 2 DC N4 . . . . . . . . . c17790_2lg2 1 . 1 . 55 . 1 1 2 DC O2 O -8.505 1.578 2.828 . . . 1.0 . . . . . . . . . . . . A . 2 DC O2 . . . . . . . . . c17790_2lg2 1 . 1 . 56 . 1 1 2 DC O3' O -11.925 4.465 6.490 . . . 1.0 . . . . . . . . . . . . A . 2 DC O3' . . . . . . . . . c17790_2lg2 1 . 1 . 57 . 1 1 2 DC O4' O -10.085 5.047 3.555 . . . 1.0 . . . . . . . . . . . . A . 2 DC O4' . . . . . . . . . c17790_2lg2 1 . 1 . 58 . 1 1 2 DC O5' O -10.383 7.757 4.605 . . . 1.0 . . . . . . . . . . . . A . 2 DC O5' . . . . . . . . . c17790_2lg2 1 . 1 . 59 . 1 1 2 DC OP1 O -11.687 9.766 3.743 . . . 1.0 . . . . . . . . . . . . A . 2 DC OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 60 . 1 1 2 DC OP2 O -10.203 9.968 5.808 . . . 1.0 . . . . . . . . . . . . A . 2 DC OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 61 . 1 1 2 DC P P -10.455 9.379 4.463 . . . 1.0 . . . . . . . . . . . . A . 2 DC P . . . . . . . . . c17790_2lg2 1 . 1 . 62 . 1 1 3 DT C1' C -9.020 -0.254 6.917 . . . 1.0 . . . . . . . . . . . . A . 3 DT C1' . . . . . . . . . c17790_2lg2 1 . 1 . 63 . 1 1 3 DT C2 C -6.915 -0.292 5.627 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2 . . . . . . . . . c17790_2lg2 1 . 1 . 64 . 1 1 3 DT C2' C -9.342 -0.221 8.411 . . . 1.0 . . . . . . . . . . . . A . 3 DT C2' . . . . . . . . . c17790_2lg2 1 . 1 . 65 . 1 1 3 DT C3' C -10.840 -0.486 8.387 . . . 1.0 . . . . . . . . . . . . A . 3 DT C3' . . . . . . . . . c17790_2lg2 1 . 1 . 66 . 1 1 3 DT C4 C -5.395 1.630 5.585 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4 . . . . . . . . . c17790_2lg2 1 . 1 . 67 . 1 1 3 DT C4' C -11.304 0.175 7.047 . . . 1.0 . . . . . . . . . . . . A . 3 DT C4' . . . . . . . . . c17790_2lg2 1 . 1 . 68 . 1 1 3 DT C5 C -6.284 2.292 6.544 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5 . . . . . . . . . c17790_2lg2 1 . 1 . 69 . 1 1 3 DT C5' C -12.098 1.488 7.233 . . . 1.0 . . . . . . . . . . . . A . 3 DT C5' . . . . . . . . . c17790_2lg2 1 . 1 . 70 . 1 1 3 DT C6 C -7.428 1.681 6.953 . . . 1.0 . . . . . . . . . . . . A . 3 DT C6 . . . . . . . . . c17790_2lg2 1 . 1 . 71 . 1 1 3 DT C7 C -5.933 3.677 7.061 . . . 1.0 . . . . . . . . . . . . A . 3 DT C7 . . . . . . . . . c17790_2lg2 1 . 1 . 72 . 1 1 3 DT H1' H -8.999 -1.298 6.606 . . . 1.0 . . . . . . . . . . . . A . 3 DT H1' . . . . . . . . . c17790_2lg2 1 . 1 . 73 . 1 1 3 DT H2' H -9.182 0.764 8.849 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2' . . . . . . . . . c17790_2lg2 1 . 1 . 74 . 1 1 3 DT H2'' H -8.785 -0.994 8.940 . . . 1.0 . . . . . . . . . . . . A . 3 DT H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 75 . 1 1 3 DT H3 H -5.193 -0.092 4.540 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3 . . . . . . . . . c17790_2lg2 1 . 1 . 76 . 1 1 3 DT H3' H -11.340 -0.035 9.244 . . . 1.0 . . . . . . . . . . . . A . 3 DT H3' . . . . . . . . . c17790_2lg2 1 . 1 . 77 . 1 1 3 DT H4' H -11.930 -0.522 6.490 . . . 1.0 . . . . . . . . . . . . A . 3 DT H4' . . . . . . . . . c17790_2lg2 1 . 1 . 78 . 1 1 3 DT H5' H -12.378 1.852 6.245 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5' . . . . . . . . . c17790_2lg2 1 . 1 . 79 . 1 1 3 DT H5'' H -13.041 1.264 7.733 . . . 1.0 . . . . . . . . . . . . A . 3 DT H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 80 . 1 1 3 DT H6 H -8.119 2.181 7.615 . . . 1.0 . . . . . . . . . . . . A . 3 DT H6 . . . . . . . . . c17790_2lg2 1 . 1 . 81 . 1 1 3 DT H71 H -4.962 3.613 7.553 . . . 1.0 . . . . . . . . . . . . A . 3 DT H71 . . . . . . . . . c17790_2lg2 1 . 1 . 82 . 1 1 3 DT H72 H -5.863 4.377 6.229 . . . 1.0 . . . . . . . . . . . . A . 3 DT H72 . . . . . . . . . c17790_2lg2 1 . 1 . 83 . 1 1 3 DT H73 H -6.670 4.004 7.795 . . . 1.0 . . . . . . . . . . . . A . 3 DT H73 . . . . . . . . . c17790_2lg2 1 . 1 . 84 . 1 1 3 DT N1 N -7.743 0.401 6.525 . . . 1.0 . . . . . . . . . . . . A . 3 DT N1 . . . . . . . . . c17790_2lg2 1 . 1 . 85 . 1 1 3 DT N3 N -5.786 0.371 5.214 . . . 1.0 . . . . . . . . . . . . A . 3 DT N3 . . . . . . . . . c17790_2lg2 1 . 1 . 86 . 1 1 3 DT O2 O -7.129 -1.432 5.203 . . . 1.0 . . . . . . . . . . . . A . 3 DT O2 . . . . . . . . . c17790_2lg2 1 . 1 . 87 . 1 1 3 DT O3' O -11.125 -1.882 8.312 . . . 1.0 . . . . . . . . . . . . A . 3 DT O3' . . . . . . . . . c17790_2lg2 1 . 1 . 88 . 1 1 3 DT O4 O -4.351 2.077 5.113 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4 . . . . . . . . . c17790_2lg2 1 . 1 . 89 . 1 1 3 DT O4' O -10.106 0.430 6.311 . . . 1.0 . . . . . . . . . . . . A . 3 DT O4' . . . . . . . . . c17790_2lg2 1 . 1 . 90 . 1 1 3 DT O5' O -11.369 2.483 7.958 . . . 1.0 . . . . . . . . . . . . A . 3 DT O5' . . . . . . . . . c17790_2lg2 1 . 1 . 91 . 1 1 3 DT OP1 O -13.302 4.013 8.542 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 92 . 1 1 3 DT OP2 O -10.897 4.827 8.767 . . . 1.0 . . . . . . . . . . . . A . 3 DT OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 93 . 1 1 3 DT P P -11.906 4.017 8.034 . . . 1.0 . . . . . . . . . . . . A . 3 DT P . . . . . . . . . c17790_2lg2 1 . 1 . 94 . 1 1 4 DA C1' C -5.518 -3.340 8.773 . . . 1.0 . . . . . . . . . . . . A . 4 DA C1' . . . . . . . . . c17790_2lg2 1 . 1 . 95 . 1 1 4 DA C2 C -2.120 -2.608 6.179 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2 . . . . . . . . . c17790_2lg2 1 . 1 . 96 . 1 1 4 DA C2' C -6.067 -3.317 10.190 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2' . . . . . . . . . c17790_2lg2 1 . 1 . 97 . 1 1 4 DA C3' C -6.825 -4.632 10.173 . . . 1.0 . . . . . . . . . . . . A . 4 DA C3' . . . . . . . . . c17790_2lg2 1 . 1 . 98 . 1 1 4 DA C4 C -3.773 -2.000 7.562 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4 . . . . . . . . . c17790_2lg2 1 . 1 . 99 . 1 1 4 DA C4' C -7.388 -4.620 8.732 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4' . . . . . . . . . c17790_2lg2 1 . 1 . 100 . 1 1 4 DA C5 C -3.454 -0.668 7.503 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5 . . . . . . . . . c17790_2lg2 1 . 1 . 101 . 1 1 4 DA C5' C -8.914 -4.363 8.607 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5' . . . . . . . . . c17790_2lg2 1 . 1 . 102 . 1 1 4 DA C6 C -2.335 -0.396 6.680 . . . 1.0 . . . . . . . . . . . . A . 4 DA C6 . . . . . . . . . c17790_2lg2 1 . 1 . 103 . 1 1 4 DA C8 C -5.032 -0.825 8.916 . . . 1.0 . . . . . . . . . . . . A . 4 DA C8 . . . . . . . . . c17790_2lg2 1 . 1 . 104 . 1 1 4 DA H1' H -4.813 -4.166 8.678 . . . 1.0 . . . . . . . . . . . . A . 4 DA H1' . . . . . . . . . c17790_2lg2 1 . 1 . 105 . 1 1 4 DA H2 H -1.590 -3.362 5.616 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2 . . . . . . . . . c17790_2lg2 1 . 1 . 106 . 1 1 4 DA H2' H -6.776 -2.497 10.307 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2' . . . . . . . . . c17790_2lg2 1 . 1 . 107 . 1 1 4 DA H2'' H -5.289 -3.265 10.951 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 108 . 1 1 4 DA H3' H -7.600 -4.601 10.938 . . . 1.0 . . . . . . . . . . . . A . 4 DA H3' . . . . . . . . . c17790_2lg2 1 . 1 . 109 . 1 1 4 DA H4' H -7.188 -5.597 8.291 . . . 1.0 . . . . . . . . . . . . A . 4 DA H4' . . . . . . . . . c17790_2lg2 1 . 1 . 110 . 1 1 4 DA H5' H -9.158 -4.073 7.586 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5' . . . . . . . . . c17790_2lg2 1 . 1 . 111 . 1 1 4 DA H5'' H -9.394 -5.314 8.839 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 112 . 1 1 4 DA H61 H -2.392 1.593 6.826 . . . 1.0 . . . . . . . . . . . . A . 4 DA H61 . . . . . . . . . c17790_2lg2 1 . 1 . 113 . 1 1 4 DA H62 H -1.094 0.955 5.811 . . . 1.0 . . . . . . . . . . . . A . 4 DA H62 . . . . . . . . . c17790_2lg2 1 . 1 . 114 . 1 1 4 DA H8 H -5.756 -0.633 9.694 . . . 1.0 . . . . . . . . . . . . A . 4 DA H8 . . . . . . . . . c17790_2lg2 1 . 1 . 115 . 1 1 4 DA N1 N -1.688 -1.366 6.033 . . . 1.0 . . . . . . . . . . . . A . 4 DA N1 . . . . . . . . . c17790_2lg2 1 . 1 . 116 . 1 1 4 DA N3 N -3.149 -3.030 6.917 . . . 1.0 . . . . . . . . . . . . A . 4 DA N3 . . . . . . . . . c17790_2lg2 1 . 1 . 117 . 1 1 4 DA N6 N -1.845 0.821 6.472 . . . 1.0 . . . . . . . . . . . . A . 4 DA N6 . . . . . . . . . c17790_2lg2 1 . 1 . 118 . 1 1 4 DA N7 N -4.282 0.097 8.340 . . . 1.0 . . . . . . . . . . . . A . 4 DA N7 . . . . . . . . . c17790_2lg2 1 . 1 . 119 . 1 1 4 DA N9 N -4.848 -2.083 8.411 . . . 1.0 . . . . . . . . . . . . A . 4 DA N9 . . . . . . . . . c17790_2lg2 1 . 1 . 120 . 1 1 4 DA O3' O -5.942 -5.726 10.328 . . . 1.0 . . . . . . . . . . . . A . 4 DA O3' . . . . . . . . . c17790_2lg2 1 . 1 . 121 . 1 1 4 DA O4' O -6.667 -3.648 7.979 . . . 1.0 . . . . . . . . . . . . A . 4 DA O4' . . . . . . . . . c17790_2lg2 1 . 1 . 122 . 1 1 4 DA O5' O -9.401 -3.356 9.500 . . . 1.0 . . . . . . . . . . . . A . 4 DA O5' . . . . . . . . . c17790_2lg2 1 . 1 . 123 . 1 1 4 DA OP1 O -11.814 -4.095 9.278 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 124 . 1 1 4 DA OP2 O -11.193 -2.156 10.818 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 125 . 1 1 4 DA P P -10.961 -2.910 9.562 . . . 1.0 . . . . . . . . . . . . A . 4 DA P . . . . . . . . . c17790_2lg2 1 . 1 . 126 . 1 1 5 DG C1' C -1.142 -6.910 10.536 . . . 1.0 . . . . . . . . . . . . A . 5 DG C1' . . . . . . . . . c17790_2lg2 1 . 1 . 127 . 1 1 5 DG C2 C 1.392 -3.767 8.805 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2 . . . . . . . . . c17790_2lg2 1 . 1 . 128 . 1 1 5 DG C2' C -1.370 -7.515 11.919 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2' . . . . . . . . . c17790_2lg2 1 . 1 . 129 . 1 1 5 DG C3' C -1.949 -8.887 11.585 . . . 1.0 . . . . . . . . . . . . A . 5 DG C3' . . . . . . . . . c17790_2lg2 1 . 1 . 130 . 1 1 5 DG C4 C -0.416 -4.561 9.873 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4 . . . . . . . . . c17790_2lg2 1 . 1 . 131 . 1 1 5 DG C4' C -2.717 -8.620 10.290 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4' . . . . . . . . . c17790_2lg2 1 . 1 . 132 . 1 1 5 DG C5 C -1.010 -3.302 10.016 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5 . . . . . . . . . c17790_2lg2 1 . 1 . 133 . 1 1 5 DG C5' C -4.215 -8.322 10.491 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5' . . . . . . . . . c17790_2lg2 1 . 1 . 134 . 1 1 5 DG C6 C -0.313 -2.171 9.444 . . . 1.0 . . . . . . . . . . . . A . 5 DG C6 . . . . . . . . . c17790_2lg2 1 . 1 . 135 . 1 1 5 DG C8 C -2.286 -4.689 11.011 . . . 1.0 . . . . . . . . . . . . A . 5 DG C8 . . . . . . . . . c17790_2lg2 1 . 1 . 136 . 1 1 5 DG H1 H 1.388 -1.736 8.430 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1 . . . . . . . . . c17790_2lg2 1 . 1 . 137 . 1 1 5 DG H1' H -0.157 -7.207 10.175 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1' . . . . . . . . . c17790_2lg2 1 . 1 . 138 . 1 1 5 DG H2' H -2.123 -6.951 12.468 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2' . . . . . . . . . c17790_2lg2 1 . 1 . 139 . 1 1 5 DG H2'' H -0.481 -7.547 12.549 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 140 . 1 1 5 DG H21 H 2.906 -4.892 8.111 . . . 1.0 . . . . . . . . . . . . A . 5 DG H21 . . . . . . . . . c17790_2lg2 1 . 1 . 141 . 1 1 5 DG H22 H 3.062 -3.164 7.863 . . . 1.0 . . . . . . . . . . . . A . 5 DG H22 . . . . . . . . . c17790_2lg2 1 . 1 . 142 . 1 1 5 DG H3' H -2.618 -9.213 12.382 . . . 1.0 . . . . . . . . . . . . A . 5 DG H3' . . . . . . . . . c17790_2lg2 1 . 1 . 143 . 1 1 5 DG H4' H -2.639 -9.498 9.649 . . . 1.0 . . . . . . . . . . . . A . 5 DG H4' . . . . . . . . . c17790_2lg2 1 . 1 . 144 . 1 1 5 DG H5' H -4.612 -8.004 9.527 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5' . . . . . . . . . c17790_2lg2 1 . 1 . 145 . 1 1 5 DG H5'' H -4.698 -9.250 10.798 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 146 . 1 1 5 DG H8 H -3.107 -5.139 11.551 . . . 1.0 . . . . . . . . . . . . A . 5 DG H8 . . . . . . . . . c17790_2lg2 1 . 1 . 147 . 1 1 5 DG N1 N 0.888 -2.506 8.851 . . . 1.0 . . . . . . . . . . . . A . 5 DG N1 . . . . . . . . . c17790_2lg2 1 . 1 . 148 . 1 1 5 DG N2 N 2.539 -3.956 8.209 . . . 1.0 . . . . . . . . . . . . A . 5 DG N2 . . . . . . . . . c17790_2lg2 1 . 1 . 149 . 1 1 5 DG N3 N 0.768 -4.855 9.258 . . . 1.0 . . . . . . . . . . . . A . 5 DG N3 . . . . . . . . . c17790_2lg2 1 . 1 . 150 . 1 1 5 DG N7 N -2.208 -3.410 10.738 . . . 1.0 . . . . . . . . . . . . A . 5 DG N7 . . . . . . . . . c17790_2lg2 1 . 1 . 151 . 1 1 5 DG N9 N -1.269 -5.444 10.501 . . . 1.0 . . . . . . . . . . . . A . 5 DG N9 . . . . . . . . . c17790_2lg2 1 . 1 . 152 . 1 1 5 DG O3' O -0.931 -9.872 11.309 . . . 1.0 . . . . . . . . . . . . A . 5 DG O3' . . . . . . . . . c17790_2lg2 1 . 1 . 153 . 1 1 5 DG O4' O -2.097 -7.497 9.642 . . . 1.0 . . . . . . . . . . . . A . 5 DG O4' . . . . . . . . . c17790_2lg2 1 . 1 . 154 . 1 1 5 DG O5' O -4.474 -7.330 11.487 . . . 1.0 . . . . . . . . . . . . A . 5 DG O5' . . . . . . . . . c17790_2lg2 1 . 1 . 155 . 1 1 5 DG O6 O -0.651 -0.991 9.392 . . . 1.0 . . . . . . . . . . . . A . 5 DG O6 . . . . . . . . . c17790_2lg2 1 . 1 . 156 . 1 1 5 DG OP1 O -6.977 -7.658 11.630 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 157 . 1 1 5 DG OP2 O -5.816 -5.695 12.823 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 158 . 1 1 5 DG P P -5.904 -6.620 11.657 . . . 1.0 . . . . . . . . . . . . A . 5 DG P . . . . . . . . . c17790_2lg2 1 . 1 . 159 . 1 1 6 DC C1' C 3.907 -6.768 11.810 . . . 1.0 . . . . . . . . . . . . A . 6 DC C1' . . . . . . . . . c17790_2lg2 1 . 1 . 160 . 1 1 6 DC C2 C 3.446 -4.319 11.803 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2 . . . . . . . . . c17790_2lg2 1 . 1 . 161 . 1 1 6 DC C2' C 4.206 -7.771 12.919 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2' . . . . . . . . . c17790_2lg2 1 . 1 . 162 . 1 1 6 DC C3' C 4.352 -9.086 12.149 . . . 1.0 . . . . . . . . . . . . A . 6 DC C3' . . . . . . . . . c17790_2lg2 1 . 1 . 163 . 1 1 6 DC C4 C 1.475 -3.468 12.617 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4 . . . . . . . . . c17790_2lg2 1 . 1 . 164 . 1 1 6 DC C4' C 3.489 -8.875 10.898 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4' . . . . . . . . . c17790_2lg2 1 . 1 . 165 . 1 1 6 DC C5 C 1.021 -4.734 13.017 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5 . . . . . . . . . c17790_2lg2 1 . 1 . 166 . 1 1 6 DC C5' C 2.154 -9.682 10.899 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5' . . . . . . . . . c17790_2lg2 1 . 1 . 167 . 1 1 6 DC C6 C 1.824 -5.797 12.774 . . . 1.0 . . . . . . . . . . . . A . 6 DC C6 . . . . . . . . . c17790_2lg2 1 . 1 . 168 . 1 1 6 DC H1' H 4.867 -6.441 11.411 . . . 1.0 . . . . . . . . . . . . A . 6 DC H1' . . . . . . . . . c17790_2lg2 1 . 1 . 169 . 1 1 6 DC H2' H 3.371 -7.855 13.615 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2' . . . . . . . . . c17790_2lg2 1 . 1 . 170 . 1 1 6 DC H2'' H 5.111 -7.503 13.465 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 171 . 1 1 6 DC H3' H 3.978 -9.918 12.746 . . . 1.0 . . . . . . . . . . . . A . 6 DC H3' . . . . . . . . . c17790_2lg2 1 . 1 . 172 . 1 1 6 DC H4' H 4.085 -9.194 10.042 . . . 1.0 . . . . . . . . . . . . A . 6 DC H4' . . . . . . . . . c17790_2lg2 1 . 1 . 173 . 1 1 6 DC H41 H -0.244 -2.549 13.060 . . . 1.0 . . . . . . . . . . . . A . 6 DC H41 . . . . . . . . . c17790_2lg2 1 . 1 . 174 . 1 1 6 DC H42 H 1.043 -1.521 12.442 . . . 1.0 . . . . . . . . . . . . A . 6 DC H42 . . . . . . . . . c17790_2lg2 1 . 1 . 175 . 1 1 6 DC H5 H 0.063 -4.866 13.499 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5 . . . . . . . . . c17790_2lg2 1 . 1 . 176 . 1 1 6 DC H5' H 1.542 -9.397 10.043 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5' . . . . . . . . . c17790_2lg2 1 . 1 . 177 . 1 1 6 DC H5'' H 2.428 -10.734 10.812 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 178 . 1 1 6 DC H6 H 1.500 -6.795 13.029 . . . 1.0 . . . . . . . . . . . . A . 6 DC H6 . . . . . . . . . c17790_2lg2 1 . 1 . 179 . 1 1 6 DC N1 N 3.055 -5.615 12.189 . . . 1.0 . . . . . . . . . . . . A . 6 DC N1 . . . . . . . . . c17790_2lg2 1 . 1 . 180 . 1 1 6 DC N3 N 2.624 -3.258 12.012 . . . 1.0 . . . . . . . . . . . . A . 6 DC N3 . . . . . . . . . c17790_2lg2 1 . 1 . 181 . 1 1 6 DC N4 N 0.695 -2.431 12.706 . . . 1.0 . . . . . . . . . . . . A . 6 DC N4 . . . . . . . . . c17790_2lg2 1 . 1 . 182 . 1 1 6 DC O2 O 4.516 -4.104 11.237 . . . 1.0 . . . . . . . . . . . . A . 6 DC O2 . . . . . . . . . c17790_2lg2 1 . 1 . 183 . 1 1 6 DC O3' O 5.708 -9.338 11.760 . . . 1.0 . . . . . . . . . . . . A . 6 DC O3' . . . . . . . . . c17790_2lg2 1 . 1 . 184 . 1 1 6 DC O4' O 3.224 -7.476 10.800 . . . 1.0 . . . . . . . . . . . . A . 6 DC O4' . . . . . . . . . c17790_2lg2 1 . 1 . 185 . 1 1 6 DC O5' O 1.429 -9.529 12.115 . . . 1.0 . . . . . . . . . . . . A . 6 DC O5' . . . . . . . . . c17790_2lg2 1 . 1 . 186 . 1 1 6 DC OP1 O 0.380 -11.836 12.097 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 187 . 1 1 6 DC OP2 O -0.389 -10.063 13.782 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 188 . 1 1 6 DC P P 0.104 -10.405 12.428 . . . 1.0 . . . . . . . . . . . . A . 6 DC P . . . . . . . . . c17790_2lg2 1 . 1 . 189 . 1 1 7 DG C1' C 8.076 -4.657 14.013 . . . 1.0 . . . . . . . . . . . . A . 7 DG C1' . . . . . . . . . c17790_2lg2 1 . 1 . 190 . 1 1 7 DG C2 C 7.022 -0.450 13.398 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2 . . . . . . . . . c17790_2lg2 1 . 1 . 191 . 1 1 7 DG C2' C 8.415 -5.667 15.110 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2' . . . . . . . . . c17790_2lg2 1 . 1 . 192 . 1 1 7 DG C3' C 9.486 -6.535 14.426 . . . 1.0 . . . . . . . . . . . . A . 7 DG C3' . . . . . . . . . c17790_2lg2 1 . 1 . 193 . 1 1 7 DG C4 C 6.588 -2.583 13.993 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4 . . . . . . . . . c17790_2lg2 1 . 1 . 194 . 1 1 7 DG C4' C 8.988 -6.474 12.956 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4' . . . . . . . . . c17790_2lg2 1 . 1 . 195 . 1 1 7 DG C5 C 5.275 -2.338 14.294 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5 . . . . . . . . . c17790_2lg2 1 . 1 . 196 . 1 1 7 DG C5' C 8.454 -7.802 12.396 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5' . . . . . . . . . c17790_2lg2 1 . 1 . 197 . 1 1 7 DG C6 C 4.774 -1.004 14.113 . . . 1.0 . . . . . . . . . . . . A . 7 DG C6 . . . . . . . . . c17790_2lg2 1 . 1 . 198 . 1 1 7 DG C8 C 5.621 -4.375 14.753 . . . 1.0 . . . . . . . . . . . . A . 7 DG C8 . . . . . . . . . c17790_2lg2 1 . 1 . 199 . 1 1 7 DG H1 H 5.477 0.872 13.648 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1 . . . . . . . . . c17790_2lg2 1 . 1 . 200 . 1 1 7 DG H1' H 8.875 -3.919 13.945 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1' . . . . . . . . . c17790_2lg2 1 . 1 . 201 . 1 1 7 DG H2' H 7.547 -6.289 15.328 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2' . . . . . . . . . c17790_2lg2 1 . 1 . 202 . 1 1 7 DG H2'' H 8.752 -5.170 16.020 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 203 . 1 1 7 DG H22 H 7.328 1.429 12.806 . . . 1.0 . . . . . . . . . . . . A . 7 DG H22 . . . . . . . . . c17790_2lg2 1 . 1 . 204 . 1 1 7 DG H3' H 9.458 -7.558 14.801 . . . 1.0 . . . . . . . . . . . . A . 7 DG H3' . . . . . . . . . c17790_2lg2 1 . 1 . 205 . 1 1 7 DG H4' H 9.837 -6.191 12.334 . . . 1.0 . . . . . . . . . . . . A . 7 DG H4' . . . . . . . . . c17790_2lg2 1 . 1 . 206 . 1 1 7 DG H5' H 7.985 -7.591 11.434 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5' . . . . . . . . . c17790_2lg2 1 . 1 . 207 . 1 1 7 DG H5'' H 9.284 -8.470 12.164 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 208 . 1 1 7 DG H8 H 5.513 -5.392 15.100 . . . 1.0 . . . . . . . . . . . . A . 7 DG H8 . . . . . . . . . c17790_2lg2 1 . 1 . 209 . 1 1 7 DG N1 N 5.742 -0.101 13.704 . . . 1.0 . . . . . . . . . . . . A . 7 DG N1 . . . . . . . . . c17790_2lg2 1 . 1 . 210 . 1 1 7 DG N2 N 7.771 0.526 12.905 . . . 1.0 . . . . . . . . . . . . A . 7 DG N2 . . . . . . . . . c17790_2lg2 1 . 1 . 211 . 1 1 7 DG N3 N 7.510 -1.691 13.526 . . . 1.0 . . . . . . . . . . . . A . 7 DG N3 . . . . . . . . . c17790_2lg2 1 . 1 . 212 . 1 1 7 DG N7 N 4.668 -3.482 14.818 . . . 1.0 . . . . . . . . . . . . A . 7 DG N7 . . . . . . . . . c17790_2lg2 1 . 1 . 213 . 1 1 7 DG N9 N 6.822 -3.912 14.248 . . . 1.0 . . . . . . . . . . . . A . 7 DG N9 . . . . . . . . . c17790_2lg2 1 . 1 . 214 . 1 1 7 DG O3' O 10.786 -5.974 14.523 . . . 1.0 . . . . . . . . . . . . A . 7 DG O3' . . . . . . . . . c17790_2lg2 1 . 1 . 215 . 1 1 7 DG O4' O 8.004 -5.453 12.852 . . . 1.0 . . . . . . . . . . . . A . 7 DG O4' . . . . . . . . . c17790_2lg2 1 . 1 . 216 . 1 1 7 DG O5' O 7.553 -8.473 13.266 . . . 1.0 . . . . . . . . . . . . A . 7 DG O5' . . . . . . . . . c17790_2lg2 1 . 1 . 217 . 1 1 7 DG O6 O 3.630 -0.581 14.258 . . . 1.0 . . . . . . . . . . . . A . 7 DG O6 . . . . . . . . . c17790_2lg2 1 . 1 . 218 . 1 1 7 DG OP1 O 7.783 -10.661 12.012 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 219 . 1 1 7 DG OP2 O 6.177 -10.447 13.982 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 220 . 1 1 7 DG P P 6.828 -9.837 12.788 . . . 1.0 . . . . . . . . . . . . A . 7 DG P . . . . . . . . . c17790_2lg2 1 . 1 . 221 . 1 1 8 DA C1' C 9.110 -1.467 17.499 . . . 1.0 . . . . . . . . . . . . A . 8 DA C1' . . . . . . . . . c17790_2lg2 1 . 1 . 222 . 1 1 8 DA C2 C 5.568 1.032 16.852 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2 . . . . . . . . . c17790_2lg2 1 . 1 . 223 . 1 1 8 DA C2' C 9.903 -2.032 18.669 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2' . . . . . . . . . c17790_2lg2 1 . 1 . 224 . 1 1 8 DA C3' C 11.328 -2.052 18.128 . . . 1.0 . . . . . . . . . . . . A . 8 DA C3' . . . . . . . . . c17790_2lg2 1 . 1 . 225 . 1 1 8 DA C4 C 6.632 -0.863 17.387 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4 . . . . . . . . . c17790_2lg2 1 . 1 . 226 . 1 1 8 DA C4' C 11.113 -2.107 16.606 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4' . . . . . . . . . c17790_2lg2 1 . 1 . 227 . 1 1 8 DA C5 C 5.481 -1.541 17.696 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5 . . . . . . . . . c17790_2lg2 1 . 1 . 228 . 1 1 8 DA C5' C 11.692 -3.351 15.940 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5' . . . . . . . . . c17790_2lg2 1 . 1 . 229 . 1 1 8 DA C6 C 4.308 -0.745 17.574 . . . 1.0 . . . . . . . . . . . . A . 8 DA C6 . . . . . . . . . c17790_2lg2 1 . 1 . 230 . 1 1 8 DA C8 C 7.044 -2.959 17.938 . . . 1.0 . . . . . . . . . . . . A . 8 DA C8 . . . . . . . . . c17790_2lg2 1 . 1 . 231 . 1 1 8 DA H1' H 9.256 -0.387 17.479 . . . 1.0 . . . . . . . . . . . . A . 8 DA H1' . . . . . . . . . c17790_2lg2 1 . 1 . 232 . 1 1 8 DA H2 H 5.579 2.031 16.442 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2 . . . . . . . . . c17790_2lg2 1 . 1 . 233 . 1 1 8 DA H2' H 9.600 -3.059 18.875 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2' . . . . . . . . . c17790_2lg2 1 . 1 . 234 . 1 1 8 DA H2'' H 9.776 -1.392 19.542 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 235 . 1 1 8 DA H3' H 11.830 -2.957 18.469 . . . 1.0 . . . . . . . . . . . . A . 8 DA H3' . . . . . . . . . c17790_2lg2 1 . 1 . 236 . 1 1 8 DA H4' H 11.554 -1.211 16.168 . . . 1.0 . . . . . . . . . . . . A . 8 DA H4' . . . . . . . . . c17790_2lg2 1 . 1 . 237 . 1 1 8 DA H5' H 11.402 -3.362 14.889 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5' . . . . . . . . . c17790_2lg2 1 . 1 . 238 . 1 1 8 DA H5'' H 12.780 -3.291 15.958 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 239 . 1 1 8 DA H61 H 2.953 -2.079 18.220 . . . 1.0 . . . . . . . . . . . . A . 8 DA H61 . . . . . . . . . c17790_2lg2 1 . 1 . 240 . 1 1 8 DA H62 H 2.277 -0.568 17.649 . . . 1.0 . . . . . . . . . . . . A . 8 DA H62 . . . . . . . . . c17790_2lg2 1 . 1 . 241 . 1 1 8 DA H8 H 7.608 -3.865 18.105 . . . 1.0 . . . . . . . . . . . . A . 8 DA H8 . . . . . . . . . c17790_2lg2 1 . 1 . 242 . 1 1 8 DA N1 N 4.375 0.529 17.150 . . . 1.0 . . . . . . . . . . . . A . 8 DA N1 . . . . . . . . . c17790_2lg2 1 . 1 . 243 . 1 1 8 DA N3 N 6.753 0.425 16.952 . . . 1.0 . . . . . . . . . . . . A . 8 DA N3 . . . . . . . . . c17790_2lg2 1 . 1 . 244 . 1 1 8 DA N6 N 3.078 -1.155 17.831 . . . 1.0 . . . . . . . . . . . . A . 8 DA N6 . . . . . . . . . c17790_2lg2 1 . 1 . 245 . 1 1 8 DA N7 N 5.738 -2.888 18.046 . . . 1.0 . . . . . . . . . . . . A . 8 DA N7 . . . . . . . . . c17790_2lg2 1 . 1 . 246 . 1 1 8 DA N9 N 7.654 -1.766 17.585 . . . 1.0 . . . . . . . . . . . . A . 8 DA N9 . . . . . . . . . c17790_2lg2 1 . 1 . 247 . 1 1 8 DA O3' O 12.093 -0.903 18.507 . . . 1.0 . . . . . . . . . . . . A . 8 DA O3' . . . . . . . . . c17790_2lg2 1 . 1 . 248 . 1 1 8 DA O4' O 9.708 -2.078 16.367 . . . 1.0 . . . . . . . . . . . . A . 8 DA O4' . . . . . . . . . c17790_2lg2 1 . 1 . 249 . 1 1 8 DA O5' O 11.286 -4.553 16.570 . . . 1.0 . . . . . . . . . . . . A . 8 DA O5' . . . . . . . . . c17790_2lg2 1 . 1 . 250 . 1 1 8 DA OP1 O 13.095 -5.880 15.519 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 251 . 1 1 8 DA OP2 O 11.216 -7.070 16.763 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 252 . 1 1 8 DA P P 11.650 -5.952 15.880 . . . 1.0 . . . . . . . . . . . . A . 8 DA P . . . . . . . . . c17790_2lg2 1 . 1 . 253 . 1 1 9 DG C1' C 7.744 2.477 20.667 . . . 1.0 . . . . . . . . . . . . A . 9 DG C1' . . . . . . . . . c17790_2lg2 1 . 1 . 254 . 1 1 9 DG C2 C 3.448 2.873 21.202 . . . 1.0 . . . . . . . . . . . . A . 9 DG C2 . . . . . . . . . c17790_2lg2 1 . 1 . 255 . 1 1 9 DG C2' C 8.280 2.866 22.027 . . . 1.0 . . . . . . . . . . . . A . 9 DG C2' . . . . . . . . . c17790_2lg2 1 . 1 . 256 . 1 1 9 DG C3' C 9.770 2.517 22.003 . . . 1.0 . . . . . . . . . . . . A . 9 DG C3' . . . . . . . . . c17790_2lg2 1 . 1 . 257 . 1 1 9 DG C4 C 5.340 1.710 20.937 . . . 1.0 . . . . . . . . . . . . A . 9 DG C4 . . . . . . . . . c17790_2lg2 1 . 1 . 258 . 1 1 9 DG C4' C 10.037 2.501 20.493 . . . 1.0 . . . . . . . . . . . . A . 9 DG C4' . . . . . . . . . c17790_2lg2 1 . 1 . 259 . 1 1 9 DG C5 C 4.715 0.488 20.992 . . . 1.0 . . . . . . . . . . . . A . 9 DG C5 . . . . . . . . . c17790_2lg2 1 . 1 . 260 . 1 1 9 DG C5' C 11.275 1.746 19.985 . . . 1.0 . . . . . . . . . . . . A . 9 DG C5' . . . . . . . . . c17790_2lg2 1 . 1 . 261 . 1 1 9 DG C6 C 3.280 0.469 21.103 . . . 1.0 . . . . . . . . . . . . A . 9 DG C6 . . . . . . . . . c17790_2lg2 1 . 1 . 262 . 1 1 9 DG C8 C 6.789 0.081 20.757 . . . 1.0 . . . . . . . . . . . . A . 9 DG C8 . . . . . . . . . c17790_2lg2 1 . 1 . 263 . 1 1 9 DG H1 H 1.727 1.778 21.341 . . . 1.0 . . . . . . . . . . . . A . 9 DG H1 . . . . . . . . . c17790_2lg2 1 . 1 . 264 . 1 1 9 DG H1' H 7.315 3.366 20.205 . . . 1.0 . . . . . . . . . . . . A . 9 DG H1' . . . . . . . . . c17790_2lg2 1 . 1 . 265 . 1 1 9 DG H2' H 7.771 2.334 22.830 . . . 1.0 . . . . . . . . . . . . A . 9 DG H2' . . . . . . . . . c17790_2lg2 1 . 1 . 266 . 1 1 9 DG H2'' H 8.165 3.947 22.114 . . . 1.0 . . . . . . . . . . . . A . 9 DG H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 267 . 1 1 9 DG H21 H 3.430 4.822 21.443 . . . 1.0 . . . . . . . . . . . . A . 9 DG H21 . . . . . . . . . c17790_2lg2 1 . 1 . 268 . 1 1 9 DG H22 H 1.843 4.036 21.533 . . . 1.0 . . . . . . . . . . . . A . 9 DG H22 . . . . . . . . . c17790_2lg2 1 . 1 . 269 . 1 1 9 DG H3' H 9.900 1.535 22.457 . . . 1.0 . . . . . . . . . . . . A . 9 DG H3' . . . . . . . . . c17790_2lg2 1 . 1 . 270 . 1 1 9 DG H4' H 10.139 3.539 20.176 . . . 1.0 . . . . . . . . . . . . A . 9 DG H4' . . . . . . . . . c17790_2lg2 1 . 1 . 271 . 1 1 9 DG H5' H 11.208 1.693 18.898 . . . 1.0 . . . . . . . . . . . . A . 9 DG H5' . . . . . . . . . c17790_2lg2 1 . 1 . 272 . 1 1 9 DG H5'' H 12.177 2.290 20.266 . . . 1.0 . . . . . . . . . . . . A . 9 DG H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 273 . 1 1 9 DG H8 H 7.734 -0.441 20.723 . . . 1.0 . . . . . . . . . . . . A . 9 DG H8 . . . . . . . . . c17790_2lg2 1 . 1 . 274 . 1 1 9 DG N1 N 2.730 1.728 21.236 . . . 1.0 . . . . . . . . . . . . A . 9 DG N1 . . . . . . . . . c17790_2lg2 1 . 1 . 275 . 1 1 9 DG N2 N 2.845 3.998 21.413 . . . 1.0 . . . . . . . . . . . . A . 9 DG N2 . . . . . . . . . c17790_2lg2 1 . 1 . 276 . 1 1 9 DG N3 N 4.757 2.936 21.047 . . . 1.0 . . . . . . . . . . . . A . 9 DG N3 . . . . . . . . . c17790_2lg2 1 . 1 . 277 . 1 1 9 DG N7 N 5.652 -0.554 20.903 . . . 1.0 . . . . . . . . . . . . A . 9 DG N7 . . . . . . . . . c17790_2lg2 1 . 1 . 278 . 1 1 9 DG N9 N 6.685 1.453 20.783 . . . 1.0 . . . . . . . . . . . . A . 9 DG N9 . . . . . . . . . c17790_2lg2 1 . 1 . 279 . 1 1 9 DG O3' O 10.539 3.544 22.636 . . . 1.0 . . . . . . . . . . . . A . 9 DG O3' . . . . . . . . . c17790_2lg2 1 . 1 . 280 . 1 1 9 DG O4' O 8.846 1.994 19.907 . . . 1.0 . . . . . . . . . . . . A . 9 DG O4' . . . . . . . . . c17790_2lg2 1 . 1 . 281 . 1 1 9 DG O5' O 11.380 0.433 20.526 . . . 1.0 . . . . . . . . . . . . A . 9 DG O5' . . . . . . . . . c17790_2lg2 1 . 1 . 282 . 1 1 9 DG O6 O 2.505 -0.484 21.094 . . . 1.0 . . . . . . . . . . . . A . 9 DG O6 . . . . . . . . . c17790_2lg2 1 . 1 . 283 . 1 1 9 DG OP1 O 13.858 0.100 19.976 . . . 1.0 . . . . . . . . . . . . A . 9 DG OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 284 . 1 1 9 DG OP2 O 12.425 -1.830 20.830 . . . 1.0 . . . . . . . . . . . . A . 9 DG OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 285 . 1 1 9 DG P P 12.535 -0.583 20.022 . . . 1.0 . . . . . . . . . . . . A . 9 DG P . . . . . . . . . c17790_2lg2 1 . 1 . 286 . 1 1 10 DT C1' C 5.529 4.599 25.021 . . . 1.0 . . . . . . . . . . . . A . 10 DT C1' . . . . . . . . . c17790_2lg2 1 . 1 . 287 . 1 1 10 DT C2 C 3.891 2.751 24.783 . . . 1.0 . . . . . . . . . . . . A . 10 DT C2 . . . . . . . . . c17790_2lg2 1 . 1 . 288 . 1 1 10 DT C2' C 6.065 4.979 26.412 . . . 1.0 . . . . . . . . . . . . A . 10 DT C2' . . . . . . . . . c17790_2lg2 1 . 1 . 289 . 1 1 10 DT C3' C 7.198 5.967 26.156 . . . 1.0 . . . . . . . . . . . . A . 10 DT C3' . . . . . . . . . c17790_2lg2 1 . 1 . 290 . 1 1 10 DT C4 C 4.608 0.423 24.525 . . . 1.0 . . . . . . . . . . . . A . 10 DT C4 . . . . . . . . . c17790_2lg2 1 . 1 . 291 . 1 1 10 DT C4' C 7.410 5.919 24.649 . . . 1.0 . . . . . . . . . . . . A . 10 DT C4' . . . . . . . . . c17790_2lg2 1 . 1 . 292 . 1 1 10 DT C5 C 5.992 0.889 24.713 . . . 1.0 . . . . . . . . . . . . A . 10 DT C5 . . . . . . . . . c17790_2lg2 1 . 1 . 293 . 1 1 10 DT C5' C 8.867 5.615 24.292 . . . 1.0 . . . . . . . . . . . . A . 10 DT C5' . . . . . . . . . c17790_2lg2 1 . 1 . 294 . 1 1 10 DT C6 C 6.236 2.220 24.929 . . . 1.0 . . . . . . . . . . . . A . 10 DT C6 . . . . . . . . . c17790_2lg2 1 . 1 . 295 . 1 1 10 DT C7 C 7.156 -0.104 24.651 . . . 1.0 . . . . . . . . . . . . A . 10 DT C7 . . . . . . . . . c17790_2lg2 1 . 1 . 296 . 1 1 10 DT H1' H 4.648 5.204 24.808 . . . 1.0 . . . . . . . . . . . . A . 10 DT H1' . . . . . . . . . c17790_2lg2 1 . 1 . 297 . 1 1 10 DT H2' H 6.446 4.125 26.973 . . . 1.0 . . . . . . . . . . . . A . 10 DT H2' . . . . . . . . . c17790_2lg2 1 . 1 . 298 . 1 1 10 DT H2'' H 5.248 5.439 26.968 . . . 1.0 . . . . . . . . . . . . A . 10 DT H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 299 . 1 1 10 DT H3 H 2.683 1.135 24.581 . . . 1.0 . . . . . . . . . . . . A . 10 DT H3 . . . . . . . . . c17790_2lg2 1 . 1 . 300 . 1 1 10 DT H3' H 8.091 5.620 26.676 . . . 1.0 . . . . . . . . . . . . A . 10 DT H3' . . . . . . . . . c17790_2lg2 1 . 1 . 301 . 1 1 10 DT H4' H 7.121 6.883 24.231 . . . 1.0 . . . . . . . . . . . . A . 10 DT H4' . . . . . . . . . c17790_2lg2 1 . 1 . 302 . 1 1 10 DT H5' H 8.962 5.744 23.214 . . . 1.0 . . . . . . . . . . . . A . 10 DT H5' . . . . . . . . . c17790_2lg2 1 . 1 . 303 . 1 1 10 DT H5'' H 9.512 6.340 24.787 . . . 1.0 . . . . . . . . . . . . A . 10 DT H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 304 . 1 1 10 DT H6 H 7.251 2.560 25.068 . . . 1.0 . . . . . . . . . . . . A . 10 DT H6 . . . . . . . . . c17790_2lg2 1 . 1 . 305 . 1 1 10 DT H71 H 7.076 -0.717 23.754 . . . 1.0 . . . . . . . . . . . . A . 10 DT H71 . . . . . . . . . c17790_2lg2 1 . 1 . 306 . 1 1 10 DT H72 H 8.124 0.397 24.664 . . . 1.0 . . . . . . . . . . . . A . 10 DT H72 . . . . . . . . . c17790_2lg2 1 . 1 . 307 . 1 1 10 DT H73 H 7.073 -0.794 25.491 . . . 1.0 . . . . . . . . . . . . A . 10 DT H73 . . . . . . . . . c17790_2lg2 1 . 1 . 308 . 1 1 10 DT N1 N 5.218 3.140 24.938 . . . 1.0 . . . . . . . . . . . . A . 10 DT N1 . . . . . . . . . c17790_2lg2 1 . 1 . 309 . 1 1 10 DT N3 N 3.652 1.420 24.588 . . . 1.0 . . . . . . . . . . . . A . 10 DT N3 . . . . . . . . . c17790_2lg2 1 . 1 . 310 . 1 1 10 DT O2 O 2.932 3.526 24.857 . . . 1.0 . . . . . . . . . . . . A . 10 DT O2 . . . . . . . . . c17790_2lg2 1 . 1 . 311 . 1 1 10 DT O3' O 6.876 7.287 26.574 . . . 1.0 . . . . . . . . . . . . A . 10 DT O3' . . . . . . . . . c17790_2lg2 1 . 1 . 312 . 1 1 10 DT O4 O 4.234 -0.726 24.327 . . . 1.0 . . . . . . . . . . . . A . 10 DT O4 . . . . . . . . . c17790_2lg2 1 . 1 . 313 . 1 1 10 DT O4' O 6.553 4.929 24.091 . . . 1.0 . . . . . . . . . . . . A . 10 DT O4' . . . . . . . . . c17790_2lg2 1 . 1 . 314 . 1 1 10 DT O5' O 9.253 4.311 24.693 . . . 1.0 . . . . . . . . . . . . A . 10 DT O5' . . . . . . . . . c17790_2lg2 1 . 1 . 315 . 1 1 10 DT OP1 O 11.705 4.687 24.559 . . . 1.0 . . . . . . . . . . . . A . 10 DT OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 316 . 1 1 10 DT OP2 O 10.777 2.337 24.848 . . . 1.0 . . . . . . . . . . . . A . 10 DT OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 317 . 1 1 10 DT P P 10.659 3.695 24.253 . . . 1.0 . . . . . . . . . . . . A . 10 DT P . . . . . . . . . c17790_2lg2 1 . 1 . 318 . 1 1 11 DC C1' C 2.295 4.954 28.850 . . . 1.0 . . . . . . . . . . . . A . 11 DC C1' . . . . . . . . . c17790_2lg2 1 . 1 . 319 . 1 1 11 DC C2 C 1.771 2.564 28.331 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2 . . . . . . . . . c17790_2lg2 1 . 1 . 320 . 1 1 11 DC C2' C 2.733 5.503 30.203 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2' . . . . . . . . . c17790_2lg2 1 . 1 . 321 . 1 1 11 DC C3' C 2.780 7.015 29.988 . . . 1.0 . . . . . . . . . . . . A . 11 DC C3' . . . . . . . . . c17790_2lg2 1 . 1 . 322 . 1 1 11 DC C4 C 3.421 1.032 27.943 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4 . . . . . . . . . c17790_2lg2 1 . 1 . 323 . 1 1 11 DC C4' C 2.906 7.161 28.465 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4' . . . . . . . . . c17790_2lg2 1 . 1 . 324 . 1 1 11 DC C5 C 4.448 1.960 28.231 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5 . . . . . . . . . c17790_2lg2 1 . 1 . 325 . 1 1 11 DC C5' C 4.181 7.872 28.013 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5' . . . . . . . . . c17790_2lg2 1 . 1 . 326 . 1 1 11 DC C6 C 4.067 3.228 28.525 . . . 1.0 . . . . . . . . . . . . A . 11 DC C6 . . . . . . . . . c17790_2lg2 1 . 1 . 327 . 1 1 11 DC H1' H 1.210 5.033 28.780 . . . 1.0 . . . . . . . . . . . . A . 11 DC H1' . . . . . . . . . c17790_2lg2 1 . 1 . 328 . 1 1 11 DC H2' H 3.729 5.149 30.472 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2' . . . . . . . . . c17790_2lg2 1 . 1 . 329 . 1 1 11 DC H2'' H 2.030 5.201 30.978 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 330 . 1 1 11 DC H3' H 3.657 7.445 30.471 . . . 1.0 . . . . . . . . . . . . A . 11 DC H3' . . . . . . . . . c17790_2lg2 1 . 1 . 331 . 1 1 11 DC H4' H 2.050 7.723 28.092 . . . 1.0 . . . . . . . . . . . . A . 11 DC H4' . . . . . . . . . c17790_2lg2 1 . 1 . 332 . 1 1 11 DC H41 H 4.677 -0.509 27.562 . . . 1.0 . . . . . . . . . . . . A . 11 DC H41 . . . . . . . . . c17790_2lg2 1 . 1 . 333 . 1 1 11 DC H42 H 2.953 -0.859 27.511 . . . 1.0 . . . . . . . . . . . . A . 11 DC H42 . . . . . . . . . c17790_2lg2 1 . 1 . 334 . 1 1 11 DC H5 H 5.488 1.671 28.195 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5 . . . . . . . . . c17790_2lg2 1 . 1 . 335 . 1 1 11 DC H5' H 4.237 7.863 26.925 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5' . . . . . . . . . c17790_2lg2 1 . 1 . 336 . 1 1 11 DC H5'' H 4.104 8.910 28.339 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 337 . 1 1 11 DC H6 H 4.798 4.000 28.716 . . . 1.0 . . . . . . . . . . . . A . 11 DC H6 . . . . . . . . . c17790_2lg2 1 . 1 . 338 . 1 1 11 DC N1 N 2.736 3.549 28.591 . . . 1.0 . . . . . . . . . . . . A . 11 DC N1 . . . . . . . . . c17790_2lg2 1 . 1 . 339 . 1 1 11 DC N3 N 2.125 1.298 28.037 . . . 1.0 . . . . . . . . . . . . A . 11 DC N3 . . . . . . . . . c17790_2lg2 1 . 1 . 340 . 1 1 11 DC N4 N 3.715 -0.207 27.626 . . . 1.0 . . . . . . . . . . . . A . 11 DC N4 . . . . . . . . . c17790_2lg2 1 . 1 . 341 . 1 1 11 DC O2 O 0.556 2.785 28.421 . . . 1.0 . . . . . . . . . . . . A . 11 DC O2 . . . . . . . . . c17790_2lg2 1 . 1 . 342 . 1 1 11 DC O3' O 1.593 7.691 30.418 . . . 1.0 . . . . . . . . . . . . A . 11 DC O3' . . . . . . . . . c17790_2lg2 1 . 1 . 343 . 1 1 11 DC O4' O 2.886 5.843 27.912 . . . 1.0 . . . . . . . . . . . . A . 11 DC O4' . . . . . . . . . c17790_2lg2 1 . 1 . 344 . 1 1 11 DC O5' O 5.345 7.288 28.578 . . . 1.0 . . . . . . . . . . . . A . 11 DC O5' . . . . . . . . . c17790_2lg2 1 . 1 . 345 . 1 1 11 DC OP1 O 6.875 9.210 28.175 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 346 . 1 1 11 DC OP2 O 7.813 6.951 28.898 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 347 . 1 1 11 DC P P 6.816 7.737 28.121 . . . 1.0 . . . . . . . . . . . . A . 11 DC P . . . . . . . . . c17790_2lg2 1 . 1 . 348 . 1 1 12 DC C1' C -0.848 2.711 32.250 . . . 1.0 . . . . . . . . . . . . A . 12 DC C1' . . . . . . . . . c17790_2lg2 1 . 1 . 349 . 1 1 12 DC C2 C 0.136 0.534 31.512 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2 . . . . . . . . . c17790_2lg2 1 . 1 . 350 . 1 1 12 DC C2' C -0.955 2.988 33.764 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2' . . . . . . . . . c17790_2lg2 1 . 1 . 351 . 1 1 12 DC C3' C -0.900 4.501 33.905 . . . 1.0 . . . . . . . . . . . . A . 12 DC C3' . . . . . . . . . c17790_2lg2 1 . 1 . 352 . 1 1 12 DC C4 C 2.401 0.206 31.308 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4 . . . . . . . . . c17790_2lg2 1 . 1 . 353 . 1 1 12 DC C4' C -1.288 4.950 32.485 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4' . . . . . . . . . c17790_2lg2 1 . 1 . 354 . 1 1 12 DC C5 C 2.697 1.534 31.724 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5 . . . . . . . . . c17790_2lg2 1 . 1 . 355 . 1 1 12 DC C5' C -0.819 6.354 32.084 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5' . . . . . . . . . c17790_2lg2 1 . 1 . 356 . 1 1 12 DC C6 C 1.637 2.337 32.030 . . . 1.0 . . . . . . . . . . . . A . 12 DC C6 . . . . . . . . . c17790_2lg2 1 . 1 . 357 . 1 1 12 DC H1' H -1.774 2.236 31.925 . . . 1.0 . . . . . . . . . . . . A . 12 DC H1' . . . . . . . . . c17790_2lg2 1 . 1 . 358 . 1 1 12 DC H2' H -0.134 2.524 34.312 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2' . . . . . . . . . c17790_2lg2 1 . 1 . 359 . 1 1 12 DC H2'' H -1.895 2.600 34.155 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 360 . 1 1 12 DC H3' H 0.120 4.827 34.106 . . . 1.0 . . . . . . . . . . . . A . 12 DC H3' . . . . . . . . . c17790_2lg2 1 . 1 . 361 . 1 1 12 DC H4' H -2.372 4.915 32.387 . . . 1.0 . . . . . . . . . . . . A . 12 DC H4' . . . . . . . . . c17790_2lg2 1 . 1 . 362 . 1 1 12 DC H41 H 4.316 -0.286 31.073 . . . 1.0 . . . . . . . . . . . . A . 12 DC H41 . . . . . . . . . c17790_2lg2 1 . 1 . 363 . 1 1 12 DC H42 H 3.114 -1.538 30.684 . . . 1.0 . . . . . . . . . . . . A . 12 DC H42 . . . . . . . . . c17790_2lg2 1 . 1 . 364 . 1 1 12 DC H5 H 3.714 1.891 31.791 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5 . . . . . . . . . c17790_2lg2 1 . 1 . 365 . 1 1 12 DC H5' H -0.893 6.472 31.003 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5' . . . . . . . . . c17790_2lg2 1 . 1 . 366 . 1 1 12 DC H5'' H -1.488 7.083 32.541 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 367 . 1 1 12 DC H6 H 1.797 3.353 32.361 . . . 1.0 . . . . . . . . . . . . A . 12 DC H6 . . . . . . . . . c17790_2lg2 1 . 1 . 368 . 1 1 12 DC HO3' H -1.556 5.771 35.262 . . . 1.0 . . . . . . . . . . . . A . 12 DC HO3' . . . . . . . . . c17790_2lg2 1 . 1 . 369 . 1 1 12 DC N1 N 0.333 1.856 31.919 . . . 1.0 . . . . . . . . . . . . A . 12 DC N1 . . . . . . . . . c17790_2lg2 1 . 1 . 370 . 1 1 12 DC N3 N 1.167 -0.276 31.222 . . . 1.0 . . . . . . . . . . . . A . 12 DC N3 . . . . . . . . . c17790_2lg2 1 . 1 . 371 . 1 1 12 DC N4 N 3.362 -0.608 30.990 . . . 1.0 . . . . . . . . . . . . A . 12 DC N4 . . . . . . . . . c17790_2lg2 1 . 1 . 372 . 1 1 12 DC O2 O -0.993 0.037 31.434 . . . 1.0 . . . . . . . . . . . . A . 12 DC O2 . . . . . . . . . c17790_2lg2 1 . 1 . 373 . 1 1 12 DC O3' O -1.831 4.922 34.908 . . . 1.0 . . . . . . . . . . . . A . 12 DC O3' . . . . . . . . . c17790_2lg2 1 . 1 . 374 . 1 1 12 DC O4' O -0.717 3.970 31.624 . . . 1.0 . . . . . . . . . . . . A . 12 DC O4' . . . . . . . . . c17790_2lg2 1 . 1 . 375 . 1 1 12 DC O5' O 0.521 6.633 32.472 . . . 1.0 . . . . . . . . . . . . A . 12 DC O5' . . . . . . . . . c17790_2lg2 1 . 1 . 376 . 1 1 12 DC OP1 O 0.281 9.093 32.020 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 377 . 1 1 12 DC OP2 O 2.546 8.103 32.715 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 378 . 1 1 12 DC P P 1.262 7.979 31.969 . . . 1.0 . . . . . . . . . . . . A . 12 DC P . . . . . . . . . c17790_2lg2 1 . 1 . 379 . 2 2 1 DG C1' C -1.310 -7.911 31.037 . . . 1.0 . . . . . . . . . . . . B . 13 DG C1' . . . . . . . . . c17790_2lg2 1 . 1 . 380 . 2 2 1 DG C2 C -0.756 -3.590 31.136 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2 . . . . . . . . . c17790_2lg2 1 . 1 . 381 . 2 2 1 DG C2' C -2.463 -7.784 30.036 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2' . . . . . . . . . c17790_2lg2 1 . 1 . 382 . 2 2 1 DG C3' C -2.182 -8.875 29.020 . . . 1.0 . . . . . . . . . . . . B . 13 DG C3' . . . . . . . . . c17790_2lg2 1 . 1 . 383 . 2 2 1 DG C4 C -0.102 -5.693 30.727 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4 . . . . . . . . . c17790_2lg2 1 . 1 . 384 . 2 2 1 DG C4' C -1.599 -9.956 29.946 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4' . . . . . . . . . c17790_2lg2 1 . 1 . 385 . 2 2 1 DG C5 C 1.171 -5.320 30.359 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5 . . . . . . . . . c17790_2lg2 1 . 1 . 386 . 2 2 1 DG C5' C -0.626 -10.927 29.249 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5' . . . . . . . . . c17790_2lg2 1 . 1 . 387 . 2 2 1 DG C6 C 1.507 -3.925 30.400 . . . 1.0 . . . . . . . . . . . . B . 13 DG C6 . . . . . . . . . c17790_2lg2 1 . 1 . 388 . 2 2 1 DG C8 C 1.092 -7.460 30.196 . . . 1.0 . . . . . . . . . . . . B . 13 DG C8 . . . . . . . . . c17790_2lg2 1 . 1 . 389 . 2 2 1 DG H1 H 0.670 -2.135 30.910 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1 . . . . . . . . . c17790_2lg2 1 . 1 . 390 . 2 2 1 DG H1' H -1.656 -7.613 32.027 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1' . . . . . . . . . c17790_2lg2 1 . 1 . 391 . 2 2 1 DG H2' H -2.501 -6.802 29.564 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2' . . . . . . . . . c17790_2lg2 1 . 1 . 392 . 2 2 1 DG H2'' H -3.392 -7.986 30.569 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 393 . 2 2 1 DG H21 H -2.626 -3.022 31.612 . . . 1.0 . . . . . . . . . . . . B . 13 DG H21 . . . . . . . . . c17790_2lg2 1 . 1 . 394 . 2 2 1 DG H22 H -1.438 -1.732 31.484 . . . 1.0 . . . . . . . . . . . . B . 13 DG H22 . . . . . . . . . c17790_2lg2 1 . 1 . 395 . 2 2 1 DG H3' H -1.410 -8.548 28.323 . . . 1.0 . . . . . . . . . . . . B . 13 DG H3' . . . . . . . . . c17790_2lg2 1 . 1 . 396 . 2 2 1 DG H4' H -2.432 -10.513 30.374 . . . 1.0 . . . . . . . . . . . . B . 13 DG H4' . . . . . . . . . c17790_2lg2 1 . 1 . 397 . 2 2 1 DG H5' H -0.192 -11.583 30.003 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5' . . . . . . . . . c17790_2lg2 1 . 1 . 398 . 2 2 1 DG H5'' H -1.202 -11.570 28.584 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 399 . 2 2 1 DG H8 H 1.344 -8.497 30.032 . . . 1.0 . . . . . . . . . . . . B . 13 DG H8 . . . . . . . . . c17790_2lg2 1 . 1 . 400 . 2 2 1 DG HO5' H 0.958 -10.937 28.079 . . . 1.0 . . . . . . . . . . . . B . 13 DG HO5' . . . . . . . . . c17790_2lg2 1 . 1 . 401 . 2 2 1 DG N1 N 0.465 -3.116 30.789 . . . 1.0 . . . . . . . . . . . . B . 13 DG N1 . . . . . . . . . c17790_2lg2 1 . 1 . 402 . 2 2 1 DG N2 N -1.679 -2.712 31.450 . . . 1.0 . . . . . . . . . . . . B . 13 DG N2 . . . . . . . . . c17790_2lg2 1 . 1 . 403 . 2 2 1 DG N3 N -1.123 -4.875 31.119 . . . 1.0 . . . . . . . . . . . . B . 13 DG N3 . . . . . . . . . c17790_2lg2 1 . 1 . 404 . 2 2 1 DG N7 N 1.933 -6.459 30.023 . . . 1.0 . . . . . . . . . . . . B . 13 DG N7 . . . . . . . . . c17790_2lg2 1 . 1 . 405 . 2 2 1 DG N9 N -0.146 -7.072 30.636 . . . 1.0 . . . . . . . . . . . . B . 13 DG N9 . . . . . . . . . c17790_2lg2 1 . 1 . 406 . 2 2 1 DG O3' O -3.378 -9.319 28.392 . . . 1.0 . . . . . . . . . . . . B . 13 DG O3' . . . . . . . . . c17790_2lg2 1 . 1 . 407 . 2 2 1 DG O4' O -0.927 -9.277 31.014 . . . 1.0 . . . . . . . . . . . . B . 13 DG O4' . . . . . . . . . c17790_2lg2 1 . 1 . 408 . 2 2 1 DG O5' O 0.409 -10.273 28.503 . . . 1.0 . . . . . . . . . . . . B . 13 DG O5' . . . . . . . . . c17790_2lg2 1 . 1 . 409 . 2 2 1 DG O6 O 2.570 -3.362 30.170 . . . 1.0 . . . . . . . . . . . . B . 13 DG O6 . . . . . . . . . c17790_2lg2 1 . 1 . 410 . 2 2 2 DG C1' C -4.188 -3.674 28.142 . . . 1.0 . . . . . . . . . . . . B . 14 DG C1' . . . . . . . . . c17790_2lg2 1 . 1 . 411 . 2 2 2 DG C2 C -1.367 -0.315 28.164 . . . 1.0 . . . . . . . . . . . . B . 14 DG C2 . . . . . . . . . c17790_2lg2 1 . 1 . 412 . 2 2 2 DG C2' C -4.895 -4.028 26.843 . . . 1.0 . . . . . . . . . . . . B . 14 DG C2' . . . . . . . . . c17790_2lg2 1 . 1 . 413 . 2 2 2 DG C3' C -6.190 -4.665 27.342 . . . 1.0 . . . . . . . . . . . . B . 14 DG C3' . . . . . . . . . c17790_2lg2 1 . 1 . 414 . 2 2 2 DG C4 C -1.958 -2.473 27.955 . . . 1.0 . . . . . . . . . . . . B . 14 DG C4 . . . . . . . . . c17790_2lg2 1 . 1 . 415 . 2 2 2 DG C4' C -5.698 -5.379 28.609 . . . 1.0 . . . . . . . . . . . . B . 14 DG C4' . . . . . . . . . c17790_2lg2 1 . 1 . 416 . 2 2 2 DG C5 C -0.676 -2.880 27.672 . . . 1.0 . . . . . . . . . . . . B . 14 DG C5 . . . . . . . . . c17790_2lg2 1 . 1 . 417 . 2 2 2 DG C5' C -5.401 -6.883 28.418 . . . 1.0 . . . . . . . . . . . . B . 14 DG C5' . . . . . . . . . c17790_2lg2 1 . 1 . 418 . 2 2 2 DG C6 C 0.383 -1.911 27.644 . . . 1.0 . . . . . . . . . . . . B . 14 DG C6 . . . . . . . . . c17790_2lg2 1 . 1 . 419 . 2 2 2 DG C8 C -1.876 -4.623 27.635 . . . 1.0 . . . . . . . . . . . . B . 14 DG C8 . . . . . . . . . c17790_2lg2 1 . 1 . 420 . 2 2 2 DG H1 H 0.640 0.110 27.935 . . . 1.0 . . . . . . . . . . . . B . 14 DG H1 . . . . . . . . . c17790_2lg2 1 . 1 . 421 . 2 2 2 DG H1' H -4.557 -2.706 28.480 . . . 1.0 . . . . . . . . . . . . B . 14 DG H1' . . . . . . . . . c17790_2lg2 1 . 1 . 422 . 2 2 2 DG H2' H -4.327 -4.740 26.245 . . . 1.0 . . . . . . . . . . . . B . 14 DG H2' . . . . . . . . . c17790_2lg2 1 . 1 . 423 . 2 2 2 DG H2'' H -5.085 -3.116 26.276 . . . 1.0 . . . . . . . . . . . . B . 14 DG H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 424 . 2 2 2 DG H21 H -2.658 1.182 28.443 . . . 1.0 . . . . . . . . . . . . B . 14 DG H21 . . . . . . . . . c17790_2lg2 1 . 1 . 425 . 2 2 2 DG H22 H -0.959 1.644 28.372 . . . 1.0 . . . . . . . . . . . . B . 14 DG H22 . . . . . . . . . c17790_2lg2 1 . 1 . 426 . 2 2 2 DG H3' H -6.588 -5.405 26.647 . . . 1.0 . . . . . . . . . . . . B . 14 DG H3' . . . . . . . . . c17790_2lg2 1 . 1 . 427 . 2 2 2 DG H4' H -6.476 -5.295 29.369 . . . 1.0 . . . . . . . . . . . . B . 14 DG H4' . . . . . . . . . c17790_2lg2 1 . 1 . 428 . 2 2 2 DG H5' H -5.106 -7.321 29.372 . . . 1.0 . . . . . . . . . . . . B . 14 DG H5' . . . . . . . . . c17790_2lg2 1 . 1 . 429 . 2 2 2 DG H5'' H -6.348 -7.366 28.174 . . . 1.0 . . . . . . . . . . . . B . 14 DG H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 430 . 2 2 2 DG H8 H -2.251 -5.631 27.535 . . . 1.0 . . . . . . . . . . . . B . 14 DG H8 . . . . . . . . . c17790_2lg2 1 . 1 . 431 . 2 2 2 DG N1 N -0.058 -0.620 27.942 . . . 1.0 . . . . . . . . . . . . B . 14 DG N1 . . . . . . . . . c17790_2lg2 1 . 1 . 432 . 2 2 2 DG N2 N -1.682 0.939 28.352 . . . 1.0 . . . . . . . . . . . . B . 14 DG N2 . . . . . . . . . c17790_2lg2 1 . 1 . 433 . 2 2 2 DG N3 N -2.356 -1.193 28.198 . . . 1.0 . . . . . . . . . . . . B . 14 DG N3 . . . . . . . . . c17790_2lg2 1 . 1 . 434 . 2 2 2 DG N7 N -0.635 -4.262 27.413 . . . 1.0 . . . . . . . . . . . . B . 14 DG N7 . . . . . . . . . c17790_2lg2 1 . 1 . 435 . 2 2 2 DG N9 N -2.733 -3.603 27.939 . . . 1.0 . . . . . . . . . . . . B . 14 DG N9 . . . . . . . . . c17790_2lg2 1 . 1 . 436 . 2 2 2 DG O3' O -7.207 -3.730 27.686 . . . 1.0 . . . . . . . . . . . . B . 14 DG O3' . . . . . . . . . c17790_2lg2 1 . 1 . 437 . 2 2 2 DG O4' O -4.529 -4.715 29.068 . . . 1.0 . . . . . . . . . . . . B . 14 DG O4' . . . . . . . . . c17790_2lg2 1 . 1 . 438 . 2 2 2 DG O5' O -4.397 -7.150 27.445 . . . 1.0 . . . . . . . . . . . . B . 14 DG O5' . . . . . . . . . c17790_2lg2 1 . 1 . 439 . 2 2 2 DG O6 O 1.578 -2.069 27.424 . . . 1.0 . . . . . . . . . . . . B . 14 DG O6 . . . . . . . . . c17790_2lg2 1 . 1 . 440 . 2 2 2 DG OP1 O -5.167 -9.387 26.600 . . . 1.0 . . . . . . . . . . . . B . 14 DG OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 441 . 2 2 2 DG OP2 O -2.836 -8.518 26.060 . . . 1.0 . . . . . . . . . . . . B . 14 DG OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 442 . 2 2 2 DG P P -3.958 -8.656 27.031 . . . 1.0 . . . . . . . . . . . . B . 14 DG P . . . . . . . . . c17790_2lg2 1 . 1 . 443 . 2 2 3 DA C1' C -4.259 0.321 24.992 . . . 1.0 . . . . . . . . . . . . B . 15 DA C1' . . . . . . . . . c17790_2lg2 1 . 1 . 444 . 2 2 3 DA C2 C -0.073 1.492 24.975 . . . 1.0 . . . . . . . . . . . . B . 15 DA C2 . . . . . . . . . c17790_2lg2 1 . 1 . 445 . 2 2 3 DA C2' C -5.395 -0.019 24.034 . . . 1.0 . . . . . . . . . . . . B . 15 DA C2' . . . . . . . . . c17790_2lg2 1 . 1 . 446 . 2 2 3 DA C3' C -6.558 0.690 24.722 . . . 1.0 . . . . . . . . . . . . B . 15 DA C3' . . . . . . . . . c17790_2lg2 1 . 1 . 447 . 2 2 3 DA C4 C -1.760 0.045 24.798 . . . 1.0 . . . . . . . . . . . . B . 15 DA C4 . . . . . . . . . c17790_2lg2 1 . 1 . 448 . 2 2 3 DA C4' C -6.212 0.444 26.203 . . . 1.0 . . . . . . . . . . . . B . 15 DA C4' . . . . . . . . . c17790_2lg2 1 . 1 . 449 . 2 2 3 DA C5 C -0.931 -1.022 24.514 . . . 1.0 . . . . . . . . . . . . B . 15 DA C5 . . . . . . . . . c17790_2lg2 1 . 1 . 450 . 2 2 3 DA C5' C -7.089 -0.652 26.856 . . . 1.0 . . . . . . . . . . . . B . 15 DA C5' . . . . . . . . . c17790_2lg2 1 . 1 . 451 . 2 2 3 DA C6 C 0.442 -0.684 24.503 . . . 1.0 . . . . . . . . . . . . B . 15 DA C6 . . . . . . . . . c17790_2lg2 1 . 1 . 452 . 2 2 3 DA C8 C -2.915 -1.800 24.445 . . . 1.0 . . . . . . . . . . . . B . 15 DA C8 . . . . . . . . . c17790_2lg2 1 . 1 . 453 . 2 2 3 DA H1' H -4.015 1.381 24.917 . . . 1.0 . . . . . . . . . . . . B . 15 DA H1' . . . . . . . . . c17790_2lg2 1 . 1 . 454 . 2 2 3 DA H2 H 0.283 2.499 25.137 . . . 1.0 . . . . . . . . . . . . B . 15 DA H2 . . . . . . . . . c17790_2lg2 1 . 1 . 455 . 2 2 3 DA H2' H -5.554 -1.096 23.991 . . . 1.0 . . . . . . . . . . . . B . 15 DA H2' . . . . . . . . . c17790_2lg2 1 . 1 . 456 . 2 2 3 DA H2'' H -5.235 0.382 23.033 . . . 1.0 . . . . . . . . . . . . B . 15 DA H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 457 . 2 2 3 DA H3' H -7.498 0.199 24.470 . . . 1.0 . . . . . . . . . . . . B . 15 DA H3' . . . . . . . . . c17790_2lg2 1 . 1 . 458 . 2 2 3 DA H4' H -6.350 1.367 26.766 . . . 1.0 . . . . . . . . . . . . B . 15 DA H4' . . . . . . . . . c17790_2lg2 1 . 1 . 459 . 2 2 3 DA H5' H -6.625 -0.945 27.798 . . . 1.0 . . . . . . . . . . . . B . 15 DA H5' . . . . . . . . . c17790_2lg2 1 . 1 . 460 . 2 2 3 DA H5'' H -8.067 -0.220 27.069 . . . 1.0 . . . . . . . . . . . . B . 15 DA H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 461 . 2 2 3 DA H61 H 1.210 -2.497 24.033 . . . 1.0 . . . . . . . . . . . . B . 15 DA H61 . . . . . . . . . c17790_2lg2 1 . 1 . 462 . 2 2 3 DA H62 H 2.385 -1.204 24.289 . . . 1.0 . . . . . . . . . . . . B . 15 DA H62 . . . . . . . . . c17790_2lg2 1 . 1 . 463 . 2 2 3 DA H8 H -3.775 -2.445 24.349 . . . 1.0 . . . . . . . . . . . . B . 15 DA H8 . . . . . . . . . c17790_2lg2 1 . 1 . 464 . 2 2 3 DA N1 N 0.854 0.570 24.745 . . . 1.0 . . . . . . . . . . . . B . 15 DA N1 . . . . . . . . . c17790_2lg2 1 . 1 . 465 . 2 2 3 DA N3 N -1.390 1.348 24.999 . . . 1.0 . . . . . . . . . . . . B . 15 DA N3 . . . . . . . . . c17790_2lg2 1 . 1 . 466 . 2 2 3 DA N6 N 1.432 -1.537 24.257 . . . 1.0 . . . . . . . . . . . . B . 15 DA N6 . . . . . . . . . c17790_2lg2 1 . 1 . 467 . 2 2 3 DA N7 N -1.670 -2.211 24.294 . . . 1.0 . . . . . . . . . . . . B . 15 DA N7 . . . . . . . . . c17790_2lg2 1 . 1 . 468 . 2 2 3 DA N9 N -3.029 -0.467 24.789 . . . 1.0 . . . . . . . . . . . . B . 15 DA N9 . . . . . . . . . c17790_2lg2 1 . 1 . 469 . 2 2 3 DA O3' O -6.602 2.083 24.407 . . . 1.0 . . . . . . . . . . . . B . 15 DA O3' . . . . . . . . . c17790_2lg2 1 . 1 . 470 . 2 2 3 DA O4' O -4.836 0.073 26.259 . . . 1.0 . . . . . . . . . . . . B . 15 DA O4' . . . . . . . . . c17790_2lg2 1 . 1 . 471 . 2 2 3 DA O5' O -7.286 -1.810 26.043 . . . 1.0 . . . . . . . . . . . . B . 15 DA O5' . . . . . . . . . c17790_2lg2 1 . 1 . 472 . 2 2 3 DA OP1 O -9.367 -2.564 27.214 . . . 1.0 . . . . . . . . . . . . B . 15 DA OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 473 . 2 2 3 DA OP2 O -8.278 -4.037 25.441 . . . 1.0 . . . . . . . . . . . . B . 15 DA OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 474 . 2 2 3 DA P P -8.134 -3.060 26.562 . . . 1.0 . . . . . . . . . . . . B . 15 DA P . . . . . . . . . c17790_2lg2 1 . 1 . 475 . 2 2 4 DC C1' C -2.543 4.332 22.055 . . . 1.0 . . . . . . . . . . . . B . 16 DC C1' . . . . . . . . . c17790_2lg2 1 . 1 . 476 . 2 2 4 DC C2 C -0.669 2.739 21.734 . . . 1.0 . . . . . . . . . . . . B . 16 DC C2 . . . . . . . . . c17790_2lg2 1 . 1 . 477 . 2 2 4 DC C2' C -3.358 4.829 20.872 . . . 1.0 . . . . . . . . . . . . B . 16 DC C2' . . . . . . . . . c17790_2lg2 1 . 1 . 478 . 2 2 4 DC C3' C -4.273 5.887 21.497 . . . 1.0 . . . . . . . . . . . . B . 16 DC C3' . . . . . . . . . c17790_2lg2 1 . 1 . 479 . 2 2 4 DC C4 C -1.002 0.501 21.445 . . . 1.0 . . . . . . . . . . . . B . 16 DC C4 . . . . . . . . . c17790_2lg2 1 . 1 . 480 . 2 2 4 DC C4' C -4.381 5.418 22.960 . . . 1.0 . . . . . . . . . . . . B . 16 DC C4' . . . . . . . . . c17790_2lg2 1 . 1 . 481 . 2 2 4 DC C5 C -2.412 0.620 21.566 . . . 1.0 . . . . . . . . . . . . B . 16 DC C5 . . . . . . . . . c17790_2lg2 1 . 1 . 482 . 2 2 4 DC C5' C -5.768 4.879 23.331 . . . 1.0 . . . . . . . . . . . . B . 16 DC C5' . . . . . . . . . c17790_2lg2 1 . 1 . 483 . 2 2 4 DC C6 C -2.907 1.874 21.776 . . . 1.0 . . . . . . . . . . . . B . 16 DC C6 . . . . . . . . . c17790_2lg2 1 . 1 . 484 . 2 2 4 DC H1' H -1.708 5.005 22.248 . . . 1.0 . . . . . . . . . . . . B . 16 DC H1' . . . . . . . . . c17790_2lg2 1 . 1 . 485 . 2 2 4 DC H2' H -3.977 4.046 20.433 . . . 1.0 . . . . . . . . . . . . B . 16 DC H2' . . . . . . . . . c17790_2lg2 1 . 1 . 486 . 2 2 4 DC H2'' H -2.712 5.218 20.085 . . . 1.0 . . . . . . . . . . . . B . 16 DC H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 487 . 2 2 4 DC H3' H -5.243 5.859 21.001 . . . 1.0 . . . . . . . . . . . . B . 16 DC H3' . . . . . . . . . c17790_2lg2 1 . 1 . 488 . 2 2 4 DC H4' H -4.140 6.254 23.617 . . . 1.0 . . . . . . . . . . . . B . 16 DC H4' . . . . . . . . . c17790_2lg2 1 . 1 . 489 . 2 2 4 DC H41 H -1.048 -1.478 21.160 . . . 1.0 . . . . . . . . . . . . B . 16 DC H41 . . . . . . . . . c17790_2lg2 1 . 1 . 490 . 2 2 4 DC H42 H 0.556 -0.668 21.131 . . . 1.0 . . . . . . . . . . . . B . 16 DC H42 . . . . . . . . . c17790_2lg2 1 . 1 . 491 . 2 2 4 DC H5 H -3.084 -0.223 21.507 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5 . . . . . . . . . c17790_2lg2 1 . 1 . 492 . 2 2 4 DC H5' H -5.766 4.670 24.401 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5' . . . . . . . . . c17790_2lg2 1 . 1 . 493 . 2 2 4 DC H5'' H -6.506 5.659 23.142 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 494 . 2 2 4 DC H6 H -3.973 2.009 21.880 . . . 1.0 . . . . . . . . . . . . B . 16 DC H6 . . . . . . . . . c17790_2lg2 1 . 1 . 495 . 2 2 4 DC N1 N -2.047 2.936 21.864 . . . 1.0 . . . . . . . . . . . . B . 16 DC N1 . . . . . . . . . c17790_2lg2 1 . 1 . 496 . 2 2 4 DC N3 N -0.157 1.499 21.523 . . . 1.0 . . . . . . . . . . . . B . 16 DC N3 . . . . . . . . . c17790_2lg2 1 . 1 . 497 . 2 2 4 DC N4 N -0.450 -0.666 21.222 . . . 1.0 . . . . . . . . . . . . B . 16 DC N4 . . . . . . . . . c17790_2lg2 1 . 1 . 498 . 2 2 4 DC O2 O 0.129 3.663 21.815 . . . 1.0 . . . . . . . . . . . . B . 16 DC O2 . . . . . . . . . c17790_2lg2 1 . 1 . 499 . 2 2 4 DC O3' O -3.696 7.195 21.504 . . . 1.0 . . . . . . . . . . . . B . 16 DC O3' . . . . . . . . . c17790_2lg2 1 . 1 . 500 . 2 2 4 DC O4' O -3.422 4.381 23.186 . . . 1.0 . . . . . . . . . . . . B . 16 DC O4' . . . . . . . . . c17790_2lg2 1 . 1 . 501 . 2 2 4 DC O5' O -6.063 3.702 22.585 . . . 1.0 . . . . . . . . . . . . B . 16 DC O5' . . . . . . . . . c17790_2lg2 1 . 1 . 502 . 2 2 4 DC OP1 O -8.440 3.475 23.406 . . . 1.0 . . . . . . . . . . . . B . 16 DC OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 503 . 2 2 4 DC OP2 O -7.341 1.621 22.018 . . . 1.0 . . . . . . . . . . . . B . 16 DC OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 504 . 2 2 4 DC P P -7.226 2.694 23.042 . . . 1.0 . . . . . . . . . . . . B . 16 DC P . . . . . . . . . c17790_2lg2 1 . 1 . 505 . 2 2 5 DT C1' C 1.430 5.843 18.663 . . . 1.0 . . . . . . . . . . . . B . 17 DT C1' . . . . . . . . . c17790_2lg2 1 . 1 . 506 . 2 2 5 DT C2 C 2.327 3.593 18.089 . . . 1.0 . . . . . . . . . . . . B . 17 DT C2 . . . . . . . . . c17790_2lg2 1 . 1 . 507 . 2 2 5 DT C2' C 0.850 6.746 17.577 . . . 1.0 . . . . . . . . . . . . B . 17 DT C2' . . . . . . . . . c17790_2lg2 1 . 1 . 508 . 2 2 5 DT C3' C 0.676 8.065 18.322 . . . 1.0 . . . . . . . . . . . . B . 17 DT C3' . . . . . . . . . c17790_2lg2 1 . 1 . 509 . 2 2 5 DT C4 C 0.844 1.692 17.770 . . . 1.0 . . . . . . . . . . . . B . 17 DT C4 . . . . . . . . . c17790_2lg2 1 . 1 . 510 . 2 2 5 DT C4' C 0.552 7.628 19.793 . . . 1.0 . . . . . . . . . . . . B . 17 DT C4' . . . . . . . . . c17790_2lg2 1 . 1 . 511 . 2 2 5 DT C5 C -0.283 2.590 18.043 . . . 1.0 . . . . . . . . . . . . B . 17 DT C5 . . . . . . . . . c17790_2lg2 1 . 1 . 512 . 2 2 5 DT C5' C -0.796 7.978 20.465 . . . 1.0 . . . . . . . . . . . . B . 17 DT C5' . . . . . . . . . c17790_2lg2 1 . 1 . 513 . 2 2 5 DT C6 C -0.071 3.904 18.325 . . . 1.0 . . . . . . . . . . . . B . 17 DT C6 . . . . . . . . . c17790_2lg2 1 . 1 . 514 . 2 2 5 DT C7 C -1.712 2.054 17.994 . . . 1.0 . . . . . . . . . . . . B . 17 DT C7 . . . . . . . . . c17790_2lg2 1 . 1 . 515 . 2 2 5 DT H1' H 2.488 6.072 18.786 . . . 1.0 . . . . . . . . . . . . B . 17 DT H1' . . . . . . . . . c17790_2lg2 1 . 1 . 516 . 2 2 5 DT H2' H -0.125 6.386 17.249 . . . 1.0 . . . . . . . . . . . . B . 17 DT H2' . . . . . . . . . c17790_2lg2 1 . 1 . 517 . 2 2 5 DT H2'' H 1.509 6.810 16.711 . . . 1.0 . . . . . . . . . . . . B . 17 DT H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 518 . 2 2 5 DT H3 H 2.879 1.697 17.596 . . . 1.0 . . . . . . . . . . . . B . 17 DT H3 . . . . . . . . . c17790_2lg2 1 . 1 . 519 . 2 2 5 DT H3' H -0.233 8.566 17.989 . . . 1.0 . . . . . . . . . . . . B . 17 DT H3' . . . . . . . . . c17790_2lg2 1 . 1 . 520 . 2 2 5 DT H4' H 1.348 8.101 20.368 . . . 1.0 . . . . . . . . . . . . B . 17 DT H4' . . . . . . . . . c17790_2lg2 1 . 1 . 521 . 2 2 5 DT H5' H -0.797 7.472 21.430 . . . 1.0 . . . . . . . . . . . . B . 17 DT H5' . . . . . . . . . c17790_2lg2 1 . 1 . 522 . 2 2 5 DT H5'' H -0.824 9.054 20.634 . . . 1.0 . . . . . . . . . . . . B . 17 DT H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 523 . 2 2 5 DT H6 H -0.884 4.574 18.562 . . . 1.0 . . . . . . . . . . . . B . 17 DT H6 . . . . . . . . . c17790_2lg2 1 . 1 . 524 . 2 2 5 DT H71 H -1.820 1.280 18.754 . . . 1.0 . . . . . . . . . . . . B . 17 DT H71 . . . . . . . . . c17790_2lg2 1 . 1 . 525 . 2 2 5 DT H72 H -2.427 2.851 18.200 . . . 1.0 . . . . . . . . . . . . B . 17 DT H72 . . . . . . . . . c17790_2lg2 1 . 1 . 526 . 2 2 5 DT H73 H -1.875 1.608 17.013 . . . 1.0 . . . . . . . . . . . . B . 17 DT H73 . . . . . . . . . c17790_2lg2 1 . 1 . 527 . 2 2 5 DT N1 N 1.215 4.413 18.362 . . . 1.0 . . . . . . . . . . . . B . 17 DT N1 . . . . . . . . . c17790_2lg2 1 . 1 . 528 . 2 2 5 DT N3 N 2.081 2.284 17.794 . . . 1.0 . . . . . . . . . . . . B . 17 DT N3 . . . . . . . . . c17790_2lg2 1 . 1 . 529 . 2 2 5 DT O2 O 3.494 3.978 18.116 . . . 1.0 . . . . . . . . . . . . B . 17 DT O2 . . . . . . . . . c17790_2lg2 1 . 1 . 530 . 2 2 5 DT O3' O 1.829 8.905 18.168 . . . 1.0 . . . . . . . . . . . . B . 17 DT O3' . . . . . . . . . c17790_2lg2 1 . 1 . 531 . 2 2 5 DT O4 O 0.763 0.483 17.545 . . . 1.0 . . . . . . . . . . . . B . 17 DT O4 . . . . . . . . . c17790_2lg2 1 . 1 . 532 . 2 2 5 DT O4' O 0.747 6.222 19.851 . . . 1.0 . . . . . . . . . . . . B . 17 DT O4' . . . . . . . . . c17790_2lg2 1 . 1 . 533 . 2 2 5 DT O5' O -1.936 7.629 19.698 . . . 1.0 . . . . . . . . . . . . B . 17 DT O5' . . . . . . . . . c17790_2lg2 1 . 1 . 534 . 2 2 5 DT OP1 O -3.429 9.503 20.574 . . . 1.0 . . . . . . . . . . . . B . 17 DT OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 535 . 2 2 5 DT OP2 O -4.390 7.614 19.129 . . . 1.0 . . . . . . . . . . . . B . 17 DT OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 536 . 2 2 5 DT P P -3.415 8.067 20.177 . . . 1.0 . . . . . . . . . . . . B . 17 DT P . . . . . . . . . c17790_2lg2 1 . 1 . 537 . 2 2 6 DT C1' C 4.478 5.297 14.488 . . . 1.0 . . . . . . . . . . . . B . 18 DT C1' . . . . . . . . . c17790_2lg2 1 . 1 . 538 . 2 2 6 DT C2 C 3.622 2.976 14.245 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2 . . . . . . . . . c17790_2lg2 1 . 1 . 539 . 2 2 6 DT C2' C 4.492 6.329 13.354 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2' . . . . . . . . . c17790_2lg2 1 . 1 . 540 . 2 2 6 DT C3' C 5.047 7.591 14.013 . . . 1.0 . . . . . . . . . . . . B . 18 DT C3' . . . . . . . . . c17790_2lg2 1 . 1 . 541 . 2 2 6 DT C4 C 1.211 2.480 14.428 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4 . . . . . . . . . c17790_2lg2 1 . 1 . 542 . 2 2 6 DT C4' C 5.051 7.254 15.513 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4' . . . . . . . . . c17790_2lg2 1 . 1 . 543 . 2 2 6 DT C5 C 0.990 3.932 14.526 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5 . . . . . . . . . c17790_2lg2 1 . 1 . 544 . 2 2 6 DT C5' C 4.408 8.347 16.366 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5' . . . . . . . . . c17790_2lg2 1 . 1 . 545 . 2 2 6 DT C6 C 2.035 4.791 14.514 . . . 1.0 . . . . . . . . . . . . B . 18 DT C6 . . . . . . . . . c17790_2lg2 1 . 1 . 546 . 2 2 6 DT C7 C -0.413 4.480 14.644 . . . 1.0 . . . . . . . . . . . . B . 18 DT C7 . . . . . . . . . c17790_2lg2 1 . 1 . 547 . 2 2 6 DT H1' H 5.420 4.749 14.500 . . . 1.0 . . . . . . . . . . . . B . 18 DT H1' . . . . . . . . . c17790_2lg2 1 . 1 . 548 . 2 2 6 DT H2' H 3.494 6.503 12.951 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2' . . . . . . . . . c17790_2lg2 1 . 1 . 549 . 2 2 6 DT H2'' H 5.133 5.959 12.553 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 550 . 2 2 6 DT H3 H 2.735 1.131 14.296 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3 . . . . . . . . . c17790_2lg2 1 . 1 . 551 . 2 2 6 DT H3' H 4.367 8.418 13.807 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3' . . . . . . . . . c17790_2lg2 1 . 1 . 552 . 2 2 6 DT H4' H 6.084 7.105 15.829 . . . 1.0 . . . . . . . . . . . . B . 18 DT H4' . . . . . . . . . c17790_2lg2 1 . 1 . 553 . 2 2 6 DT H5' H 4.406 8.025 17.408 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5' . . . . . . . . . c17790_2lg2 1 . 1 . 554 . 2 2 6 DT H5'' H 5.036 9.234 16.284 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 555 . 2 2 6 DT H6 H 1.852 5.851 14.607 . . . 1.0 . . . . . . . . . . . . B . 18 DT H6 . . . . . . . . . c17790_2lg2 1 . 1 . 556 . 2 2 6 DT H71 H -0.411 5.560 14.786 . . . 1.0 . . . . . . . . . . . . B . 18 DT H71 . . . . . . . . . c17790_2lg2 1 . 1 . 557 . 2 2 6 DT H72 H -0.963 4.246 13.733 . . . 1.0 . . . . . . . . . . . . B . 18 DT H72 . . . . . . . . . c17790_2lg2 1 . 1 . 558 . 2 2 6 DT H73 H -0.919 3.988 15.475 . . . 1.0 . . . . . . . . . . . . B . 18 DT H73 . . . . . . . . . c17790_2lg2 1 . 1 . 559 . 2 2 6 DT N1 N 3.328 4.342 14.388 . . . 1.0 . . . . . . . . . . . . B . 18 DT N1 . . . . . . . . . c17790_2lg2 1 . 1 . 560 . 2 2 6 DT N3 N 2.538 2.121 14.299 . . . 1.0 . . . . . . . . . . . . B . 18 DT N3 . . . . . . . . . c17790_2lg2 1 . 1 . 561 . 2 2 6 DT O2 O 4.753 2.530 14.062 . . . 1.0 . . . . . . . . . . . . B . 18 DT O2 . . . . . . . . . c17790_2lg2 1 . 1 . 562 . 2 2 6 DT O3' O 6.388 7.894 13.635 . . . 1.0 . . . . . . . . . . . . B . 18 DT O3' . . . . . . . . . c17790_2lg2 1 . 1 . 563 . 2 2 6 DT O4 O 0.355 1.600 14.442 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4 . . . . . . . . . c17790_2lg2 1 . 1 . 564 . 2 2 6 DT O4' O 4.376 6.034 15.689 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4' . . . . . . . . . c17790_2lg2 1 . 1 . 565 . 2 2 6 DT O5' O 3.078 8.698 15.961 . . . 1.0 . . . . . . . . . . . . B . 18 DT O5' . . . . . . . . . c17790_2lg2 1 . 1 . 566 . 2 2 6 DT OP1 O 2.978 10.897 17.197 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 567 . 2 2 6 DT OP2 O 0.889 9.924 16.059 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 568 . 2 2 6 DT P P 2.162 9.719 16.808 . . . 1.0 . . . . . . . . . . . . B . 18 DT P . . . . . . . . . c17790_2lg2 1 . 1 . 569 . 2 2 7 DG C1' C 6.194 3.540 9.908 . . . 1.0 . . . . . . . . . . . . B . 19 DG C1' . . . . . . . . . c17790_2lg2 1 . 1 . 570 . 2 2 7 DG C2 C 4.839 -0.518 10.656 . . . 1.0 . . . . . . . . . . . . B . 19 DG C2 . . . . . . . . . c17790_2lg2 1 . 1 . 571 . 2 2 7 DG C2' C 6.191 4.630 8.859 . . . 1.0 . . . . . . . . . . . . B . 19 DG C2' . . . . . . . . . c17790_2lg2 1 . 1 . 572 . 2 2 7 DG C3' C 7.523 5.355 9.066 . . . 1.0 . . . . . . . . . . . . B . 19 DG C3' . . . . . . . . . c17790_2lg2 1 . 1 . 573 . 2 2 7 DG C4 C 4.566 1.708 10.526 . . . 1.0 . . . . . . . . . . . . B . 19 DG C4 . . . . . . . . . c17790_2lg2 1 . 1 . 574 . 2 2 7 DG C4' C 7.857 4.998 10.538 . . . 1.0 . . . . . . . . . . . . B . 19 DG C4' . . . . . . . . . c17790_2lg2 1 . 1 . 575 . 2 2 7 DG C5 C 3.240 1.676 10.921 . . . 1.0 . . . . . . . . . . . . B . 19 DG C5 . . . . . . . . . c17790_2lg2 1 . 1 . 576 . 2 2 7 DG C5' C 8.004 6.223 11.445 . . . 1.0 . . . . . . . . . . . . B . 19 DG C5' . . . . . . . . . c17790_2lg2 1 . 1 . 577 . 2 2 7 DG C6 C 2.660 0.388 11.209 . . . 1.0 . . . . . . . . . . . . B . 19 DG C6 . . . . . . . . . c17790_2lg2 1 . 1 . 578 . 2 2 7 DG C8 C 3.696 3.719 10.504 . . . 1.0 . . . . . . . . . . . . B . 19 DG C8 . . . . . . . . . c17790_2lg2 1 . 1 . 579 . 2 2 7 DG H1 H 3.174 -1.582 11.226 . . . 1.0 . . . . . . . . . . . . B . 19 DG H1 . . . . . . . . . c17790_2lg2 1 . 1 . 580 . 2 2 7 DG H1' H 6.777 2.712 9.506 . . . 1.0 . . . . . . . . . . . . B . 19 DG H1' . . . . . . . . . c17790_2lg2 1 . 1 . 581 . 2 2 7 DG H2' H 5.368 5.324 9.031 . . . 1.0 . . . . . . . . . . . . B . 19 DG H2' . . . . . . . . . c17790_2lg2 1 . 1 . 582 . 2 2 7 DG H2'' H 6.074 4.197 7.866 . . . 1.0 . . . . . . . . . . . . B . 19 DG H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 583 . 2 2 7 DG H21 H 6.549 -1.447 10.234 . . . 1.0 . . . . . . . . . . . . B . 19 DG H21 . . . . . . . . . c17790_2lg2 1 . 1 . 584 . 2 2 7 DG H22 H 5.210 -2.500 10.687 . . . 1.0 . . . . . . . . . . . . B . 19 DG H22 . . . . . . . . . c17790_2lg2 1 . 1 . 585 . 2 2 7 DG H3' H 7.361 6.428 8.959 . . . 1.0 . . . . . . . . . . . . B . 19 DG H3' . . . . . . . . . c17790_2lg2 1 . 1 . 586 . 2 2 7 DG H4' H 8.787 4.430 10.544 . . . 1.0 . . . . . . . . . . . . B . 19 DG H4' . . . . . . . . . c17790_2lg2 1 . 1 . 587 . 2 2 7 DG H5' H 7.989 5.876 12.478 . . . 1.0 . . . . . . . . . . . . B . 19 DG H5' . . . . . . . . . c17790_2lg2 1 . 1 . 588 . 2 2 7 DG H5'' H 8.970 6.687 11.245 . . . 1.0 . . . . . . . . . . . . B . 19 DG H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 589 . 2 2 7 DG H8 H 3.620 4.787 10.359 . . . 1.0 . . . . . . . . . . . . B . 19 DG H8 . . . . . . . . . c17790_2lg2 1 . 1 . 590 . 2 2 7 DG N1 N 3.527 -0.662 11.006 . . . 1.0 . . . . . . . . . . . . B . 19 DG N1 . . . . . . . . . c17790_2lg2 1 . 1 . 591 . 2 2 7 DG N2 N 5.593 -1.578 10.533 . . . 1.0 . . . . . . . . . . . . B . 19 DG N2 . . . . . . . . . c17790_2lg2 1 . 1 . 592 . 2 2 7 DG N3 N 5.411 0.643 10.389 . . . 1.0 . . . . . . . . . . . . B . 19 DG N3 . . . . . . . . . c17790_2lg2 1 . 1 . 593 . 2 2 7 DG N7 N 2.691 2.976 10.905 . . . 1.0 . . . . . . . . . . . . B . 19 DG N7 . . . . . . . . . c17790_2lg2 1 . 1 . 594 . 2 2 7 DG N9 N 4.867 3.029 10.295 . . . 1.0 . . . . . . . . . . . . B . 19 DG N9 . . . . . . . . . c17790_2lg2 1 . 1 . 595 . 2 2 7 DG O3' O 8.607 4.926 8.248 . . . 1.0 . . . . . . . . . . . . B . 19 DG O3' . . . . . . . . . c17790_2lg2 1 . 1 . 596 . 2 2 7 DG O4' O 6.838 4.134 11.029 . . . 1.0 . . . . . . . . . . . . B . 19 DG O4' . . . . . . . . . c17790_2lg2 1 . 1 . 597 . 2 2 7 DG O5' O 6.954 7.159 11.248 . . . 1.0 . . . . . . . . . . . . B . 19 DG O5' . . . . . . . . . c17790_2lg2 1 . 1 . 598 . 2 2 7 DG O6 O 1.518 0.130 11.581 . . . 1.0 . . . . . . . . . . . . B . 19 DG O6 . . . . . . . . . c17790_2lg2 1 . 1 . 599 . 2 2 7 DG OP1 O 8.142 9.117 12.291 . . . 1.0 . . . . . . . . . . . . B . 19 DG OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 600 . 2 2 7 DG OP2 O 5.680 9.313 11.650 . . . 1.0 . . . . . . . . . . . . B . 19 DG OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 601 . 2 2 7 DG P P 6.809 8.485 12.169 . . . 1.0 . . . . . . . . . . . . B . 19 DG P . . . . . . . . . c17790_2lg2 1 . 1 . 602 . 2 2 8 DC C1' C 6.019 0.228 6.719 . . . 1.0 . . . . . . . . . . . . B . 20 DC C1' . . . . . . . . . c17790_2lg2 1 . 1 . 603 . 2 2 8 DC C2 C 3.711 -0.487 7.401 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2 . . . . . . . . . c17790_2lg2 1 . 1 . 604 . 2 2 8 DC C2' C 6.326 0.418 5.234 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2' . . . . . . . . . c17790_2lg2 1 . 1 . 605 . 2 2 8 DC C3' C 7.846 0.654 5.202 . . . 1.0 . . . . . . . . . . . . B . 20 DC C3' . . . . . . . . . c17790_2lg2 1 . 1 . 606 . 2 2 8 DC C4 C 2.035 1.036 7.777 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4 . . . . . . . . . c17790_2lg2 1 . 1 . 607 . 2 2 8 DC C4' C 8.155 1.046 6.661 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4' . . . . . . . . . c17790_2lg2 1 . 1 . 608 . 2 2 8 DC C5 C 2.881 2.118 7.425 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5 . . . . . . . . . c17790_2lg2 1 . 1 . 609 . 2 2 8 DC C5' C 8.909 2.362 6.807 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5' . . . . . . . . . c17790_2lg2 1 . 1 . 610 . 2 2 8 DC C6 C 4.152 1.845 7.066 . . . 1.0 . . . . . . . . . . . . B . 20 DC C6 . . . . . . . . . c17790_2lg2 1 . 1 . 611 . 2 2 8 DC H1' H 6.222 -0.811 6.981 . . . 1.0 . . . . . . . . . . . . B . 20 DC H1' . . . . . . . . . c17790_2lg2 1 . 1 . 612 . 2 2 8 DC H2' H 5.823 1.301 4.839 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2' . . . . . . . . . c17790_2lg2 1 . 1 . 613 . 2 2 8 DC H2'' H 6.061 -0.483 4.680 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 614 . 2 2 8 DC H3' H 8.104 1.474 4.533 . . . 1.0 . . . . . . . . . . . . B . 20 DC H3' . . . . . . . . . c17790_2lg2 1 . 1 . 615 . 2 2 8 DC H4' H 8.786 0.283 7.117 . . . 1.0 . . . . . . . . . . . . B . 20 DC H4' . . . . . . . . . c17790_2lg2 1 . 1 . 616 . 2 2 8 DC H41 H 0.514 2.214 8.328 . . . 1.0 . . . . . . . . . . . . B . 20 DC H41 . . . . . . . . . c17790_2lg2 1 . 1 . 617 . 2 2 8 DC H42 H 0.287 0.457 8.496 . . . 1.0 . . . . . . . . . . . . B . 20 DC H42 . . . . . . . . . c17790_2lg2 1 . 1 . 618 . 2 2 8 DC H5 H 2.530 3.139 7.408 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5 . . . . . . . . . c17790_2lg2 1 . 1 . 619 . 2 2 8 DC H5' H 9.100 2.517 7.869 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5' . . . . . . . . . c17790_2lg2 1 . 1 . 620 . 2 2 8 DC H5'' H 9.877 2.287 6.311 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 621 . 2 2 8 DC H6 H 4.843 2.634 6.810 . . . 1.0 . . . . . . . . . . . . B . 20 DC H6 . . . . . . . . . c17790_2lg2 1 . 1 . 622 . 2 2 8 DC N1 N 4.605 0.542 7.061 . . . 1.0 . . . . . . . . . . . . B . 20 DC N1 . . . . . . . . . c17790_2lg2 1 . 1 . 623 . 2 2 8 DC N3 N 2.428 -0.217 7.766 . . . 1.0 . . . . . . . . . . . . B . 20 DC N3 . . . . . . . . . c17790_2lg2 1 . 1 . 624 . 2 2 8 DC N4 N 0.819 1.261 8.195 . . . 1.0 . . . . . . . . . . . . B . 20 DC N4 . . . . . . . . . c17790_2lg2 1 . 1 . 625 . 2 2 8 DC O2 O 4.032 -1.678 7.391 . . . 1.0 . . . . . . . . . . . . B . 20 DC O2 . . . . . . . . . c17790_2lg2 1 . 1 . 626 . 2 2 8 DC O3' O 8.623 -0.484 4.863 . . . 1.0 . . . . . . . . . . . . B . 20 DC O3' . . . . . . . . . c17790_2lg2 1 . 1 . 627 . 2 2 8 DC O4' O 6.908 1.099 7.369 . . . 1.0 . . . . . . . . . . . . B . 20 DC O4' . . . . . . . . . c17790_2lg2 1 . 1 . 628 . 2 2 8 DC O5' O 8.154 3.457 6.294 . . . 1.0 . . . . . . . . . . . . B . 20 DC O5' . . . . . . . . . c17790_2lg2 1 . 1 . 629 . 2 2 8 DC OP1 O 9.997 5.114 6.162 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 630 . 2 2 8 DC OP2 O 7.566 5.890 6.135 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 631 . 2 2 8 DC P P 8.600 4.960 6.639 . . . 1.0 . . . . . . . . . . . . B . 20 DC P . . . . . . . . . c17790_2lg2 1 . 1 . 632 . 2 2 9 DT C1' C 3.781 -3.157 3.994 . . . 1.0 . . . . . . . . . . . . B . 21 DT C1' . . . . . . . . . c17790_2lg2 1 . 1 . 633 . 2 2 9 DT C2 C 1.665 -2.103 4.772 . . . 1.0 . . . . . . . . . . . . B . 21 DT C2 . . . . . . . . . c17790_2lg2 1 . 1 . 634 . 2 2 9 DT C2' C 4.242 -3.423 2.570 . . . 1.0 . . . . . . . . . . . . B . 21 DT C2' . . . . . . . . . c17790_2lg2 1 . 1 . 635 . 2 2 9 DT C3' C 5.433 -4.356 2.817 . . . 1.0 . . . . . . . . . . . . B . 21 DT C3' . . . . . . . . . c17790_2lg2 1 . 1 . 636 . 2 2 9 DT C4 C 1.271 0.311 4.524 . . . 1.0 . . . . . . . . . . . . B . 21 DT C4 . . . . . . . . . c17790_2lg2 1 . 1 . 637 . 2 2 9 DT C4' C 5.915 -3.942 4.231 . . . 1.0 . . . . . . . . . . . . B . 21 DT C4' . . . . . . . . . c17790_2lg2 1 . 1 . 638 . 2 2 9 DT C5 C 2.545 0.403 3.858 . . . 1.0 . . . . . . . . . . . . B . 21 DT C5 . . . . . . . . . c17790_2lg2 1 . 1 . 639 . 2 2 9 DT C5' C 7.318 -3.308 4.226 . . . 1.0 . . . . . . . . . . . . B . 21 DT C5' . . . . . . . . . c17790_2lg2 1 . 1 . 640 . 2 2 9 DT C6 C 3.326 -0.706 3.712 . . . 1.0 . . . . . . . . . . . . B . 21 DT C6 . . . . . . . . . c17790_2lg2 1 . 1 . 641 . 2 2 9 DT C7 C 3.050 1.733 3.319 . . . 1.0 . . . . . . . . . . . . B . 21 DT C7 . . . . . . . . . c17790_2lg2 1 . 1 . 642 . 2 2 9 DT H1' H 3.238 -4.036 4.342 . . . 1.0 . . . . . . . . . . . . B . 21 DT H1' . . . . . . . . . c17790_2lg2 1 . 1 . 643 . 2 2 9 DT H2' H 4.592 -2.509 2.090 . . . 1.0 . . . . . . . . . . . . B . 21 DT H2' . . . . . . . . . c17790_2lg2 1 . 1 . 644 . 2 2 9 DT H2'' H 3.439 -3.875 1.988 . . . 1.0 . . . . . . . . . . . . B . 21 DT H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 645 . 2 2 9 DT H3 H 0.041 -1.052 5.416 . . . 1.0 . . . . . . . . . . . . B . 21 DT H3 . . . . . . . . . c17790_2lg2 1 . 1 . 646 . 2 2 9 DT H3' H 6.223 -4.173 2.088 . . . 1.0 . . . . . . . . . . . . B . 21 DT H3' . . . . . . . . . c17790_2lg2 1 . 1 . 647 . 2 2 9 DT H4' H 5.910 -4.826 4.869 . . . 1.0 . . . . . . . . . . . . B . 21 DT H4' . . . . . . . . . c17790_2lg2 1 . 1 . 648 . 2 2 9 DT H5' H 7.545 -3.034 5.256 . . . 1.0 . . . . . . . . . . . . B . 21 DT H5' . . . . . . . . . c17790_2lg2 1 . 1 . 649 . 2 2 9 DT H5'' H 8.036 -4.054 3.887 . . . 1.0 . . . . . . . . . . . . B . 21 DT H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 650 . 2 2 9 DT H6 H 4.282 -0.627 3.216 . . . 1.0 . . . . . . . . . . . . B . 21 DT H6 . . . . . . . . . c17790_2lg2 1 . 1 . 651 . 2 2 9 DT H71 H 3.144 2.427 4.154 . . . 1.0 . . . . . . . . . . . . B . 21 DT H71 . . . . . . . . . c17790_2lg2 1 . 1 . 652 . 2 2 9 DT H72 H 4.017 1.616 2.830 . . . 1.0 . . . . . . . . . . . . B . 21 DT H72 . . . . . . . . . c17790_2lg2 1 . 1 . 653 . 2 2 9 DT H73 H 2.343 2.126 2.588 . . . 1.0 . . . . . . . . . . . . B . 21 DT H73 . . . . . . . . . c17790_2lg2 1 . 1 . 654 . 2 2 9 DT N1 N 2.930 -1.953 4.180 . . . 1.0 . . . . . . . . . . . . B . 21 DT N1 . . . . . . . . . c17790_2lg2 1 . 1 . 655 . 2 2 9 DT N3 N 0.921 -0.957 4.929 . . . 1.0 . . . . . . . . . . . . B . 21 DT N3 . . . . . . . . . c17790_2lg2 1 . 1 . 656 . 2 2 9 DT O2 O 1.198 -3.170 5.160 . . . 1.0 . . . . . . . . . . . . B . 21 DT O2 . . . . . . . . . c17790_2lg2 1 . 1 . 657 . 2 2 9 DT O3' O 5.085 -5.743 2.867 . . . 1.0 . . . . . . . . . . . . B . 21 DT O3' . . . . . . . . . c17790_2lg2 1 . 1 . 658 . 2 2 9 DT O4 O 0.488 1.225 4.747 . . . 1.0 . . . . . . . . . . . . B . 21 DT O4 . . . . . . . . . c17790_2lg2 1 . 1 . 659 . 2 2 9 DT O4' O 4.964 -3.016 4.747 . . . 1.0 . . . . . . . . . . . . B . 21 DT O4' . . . . . . . . . c17790_2lg2 1 . 1 . 660 . 2 2 9 DT O5' O 7.384 -2.169 3.366 . . . 1.0 . . . . . . . . . . . . B . 21 DT O5' . . . . . . . . . c17790_2lg2 1 . 1 . 661 . 2 2 9 DT OP1 O 9.875 -1.944 3.265 . . . 1.0 . . . . . . . . . . . . B . 21 DT OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 662 . 2 2 9 DT OP2 O 8.382 -0.061 2.398 . . . 1.0 . . . . . . . . . . . . B . 21 DT OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 663 . 2 2 9 DT P P 8.632 -1.144 3.382 . . . 1.0 . . . . . . . . . . . . B . 21 DT P . . . . . . . . . c17790_2lg2 1 . 1 . 664 . 2 2 10 DA C1' C -0.762 -4.785 1.868 . . . 1.0 . . . . . . . . . . . . B . 22 DA C1' . . . . . . . . . c17790_2lg2 1 . 1 . 665 . 2 2 10 DA C2 C -4.070 -2.367 3.420 . . . 1.0 . . . . . . . . . . . . B . 22 DA C2 . . . . . . . . . c17790_2lg2 1 . 1 . 666 . 2 2 10 DA C2' C -0.541 -5.300 0.454 . . . 1.0 . . . . . . . . . . . . B . 22 DA C2' . . . . . . . . . c17790_2lg2 1 . 1 . 667 . 2 2 10 DA C3' C 0.260 -6.602 0.668 . . . 1.0 . . . . . . . . . . . . B . 22 DA C3' . . . . . . . . . c17790_2lg2 1 . 1 . 668 . 2 2 10 DA C4 C -2.041 -2.685 2.509 . . . 1.0 . . . . . . . . . . . . B . 22 DA C4 . . . . . . . . . c17790_2lg2 1 . 1 . 669 . 2 2 10 DA C4' C 0.698 -6.492 2.128 . . . 1.0 . . . . . . . . . . . . B . 22 DA C4' . . . . . . . . . c17790_2lg2 1 . 1 . 670 . 2 2 10 DA C5 C -1.762 -1.337 2.453 . . . 1.0 . . . . . . . . . . . . B . 22 DA C5 . . . . . . . . . c17790_2lg2 1 . 1 . 671 . 2 2 10 DA C5' C 2.161 -6.889 2.389 . . . 1.0 . . . . . . . . . . . . B . 22 DA C5' . . . . . . . . . c17790_2lg2 1 . 1 . 672 . 2 2 10 DA C6 C -2.763 -0.529 3.024 . . . 1.0 . . . . . . . . . . . . B . 22 DA C6 . . . . . . . . . c17790_2lg2 1 . 1 . 673 . 2 2 10 DA C8 C -0.070 -2.326 1.642 . . . 1.0 . . . . . . . . . . . . B . 22 DA C8 . . . . . . . . . c17790_2lg2 1 . 1 . 674 . 2 2 10 DA H1' H -1.658 -5.257 2.270 . . . 1.0 . . . . . . . . . . . . B . 22 DA H1' . . . . . . . . . c17790_2lg2 1 . 1 . 675 . 2 2 10 DA H2 H -5.005 -2.757 3.794 . . . 1.0 . . . . . . . . . . . . B . 22 DA H2 . . . . . . . . . c17790_2lg2 1 . 1 . 676 . 2 2 10 DA H2' H 0.064 -4.592 -0.111 . . . 1.0 . . . . . . . . . . . . B . 22 DA H2' . . . . . . . . . c17790_2lg2 1 . 1 . 677 . 2 2 10 DA H2'' H -1.495 -5.472 -0.046 . . . 1.0 . . . . . . . . . . . . B . 22 DA H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 678 . 2 2 10 DA H3' H 1.135 -6.619 0.020 . . . 1.0 . . . . . . . . . . . . B . 22 DA H3' . . . . . . . . . c17790_2lg2 1 . 1 . 679 . 2 2 10 DA H4' H 0.068 -7.159 2.715 . . . 1.0 . . . . . . . . . . . . B . 22 DA H4' . . . . . . . . . c17790_2lg2 1 . 1 . 680 . 2 2 10 DA H5' H 2.456 -6.548 3.382 . . . 1.0 . . . . . . . . . . . . B . 22 DA H5' . . . . . . . . . c17790_2lg2 1 . 1 . 681 . 2 2 10 DA H5'' H 2.219 -7.977 2.384 . . . 1.0 . . . . . . . . . . . . B . 22 DA H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 682 . 2 2 10 DA H61 H -1.865 1.276 2.861 . . . 1.0 . . . . . . . . . . . . B . 22 DA H61 . . . . . . . . . c17790_2lg2 1 . 1 . 683 . 2 2 10 DA H62 H -3.379 1.244 3.752 . . . 1.0 . . . . . . . . . . . . B . 22 DA H62 . . . . . . . . . c17790_2lg2 1 . 1 . 684 . 2 2 10 DA H8 H 0.871 -2.543 1.159 . . . 1.0 . . . . . . . . . . . . B . 22 DA H8 . . . . . . . . . c17790_2lg2 1 . 1 . 685 . 2 2 10 DA N1 N -3.904 -1.054 3.478 . . . 1.0 . . . . . . . . . . . . B . 22 DA N1 . . . . . . . . . c17790_2lg2 1 . 1 . 686 . 2 2 10 DA N3 N -3.199 -3.258 2.951 . . . 1.0 . . . . . . . . . . . . B . 22 DA N3 . . . . . . . . . c17790_2lg2 1 . 1 . 687 . 2 2 10 DA N6 N -2.687 0.782 3.179 . . . 1.0 . . . . . . . . . . . . B . 22 DA N6 . . . . . . . . . c17790_2lg2 1 . 1 . 688 . 2 2 10 DA N7 N -0.489 -1.112 1.905 . . . 1.0 . . . . . . . . . . . . B . 22 DA N7 . . . . . . . . . c17790_2lg2 1 . 1 . 689 . 2 2 10 DA N9 N -0.941 -3.315 1.983 . . . 1.0 . . . . . . . . . . . . B . 22 DA N9 . . . . . . . . . c17790_2lg2 1 . 1 . 690 . 2 2 10 DA O3' O -0.492 -7.804 0.476 . . . 1.0 . . . . . . . . . . . . B . 22 DA O3' . . . . . . . . . c17790_2lg2 1 . 1 . 691 . 2 2 10 DA O4' O 0.406 -5.192 2.562 . . . 1.0 . . . . . . . . . . . . B . 22 DA O4' . . . . . . . . . c17790_2lg2 1 . 1 . 692 . 2 2 10 DA O5' O 3.060 -6.353 1.420 . . . 1.0 . . . . . . . . . . . . B . 22 DA O5' . . . . . . . . . c17790_2lg2 1 . 1 . 693 . 2 2 10 DA OP1 O 4.868 -8.020 1.838 . . . 1.0 . . . . . . . . . . . . B . 22 DA OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 694 . 2 2 10 DA OP2 O 5.304 -5.995 0.352 . . . 1.0 . . . . . . . . . . . . B . 22 DA OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 695 . 2 2 10 DA P P 4.651 -6.585 1.543 . . . 1.0 . . . . . . . . . . . . B . 22 DA P . . . . . . . . . c17790_2lg2 1 . 1 . 696 . 2 2 11 DG C1' C -5.378 -4.983 -0.383 . . . 1.0 . . . . . . . . . . . . B . 23 DG C1' . . . . . . . . . c17790_2lg2 1 . 1 . 697 . 2 2 11 DG C2 C -6.944 -1.169 1.139 . . . 1.0 . . . . . . . . . . . . B . 23 DG C2 . . . . . . . . . c17790_2lg2 1 . 1 . 698 . 2 2 11 DG C2' C -5.394 -5.668 -1.757 . . . 1.0 . . . . . . . . . . . . B . 23 DG C2' . . . . . . . . . c17790_2lg2 1 . 1 . 699 . 2 2 11 DG C3' C -5.422 -7.166 -1.399 . . . 1.0 . . . . . . . . . . . . B . 23 DG C3' . . . . . . . . . c17790_2lg2 1 . 1 . 700 . 2 2 11 DG C4 C -5.400 -2.484 0.144 . . . 1.0 . . . . . . . . . . . . B . 23 DG C4 . . . . . . . . . c17790_2lg2 1 . 1 . 701 . 2 2 11 DG C4' C -4.789 -7.175 -0.009 . . . 1.0 . . . . . . . . . . . . B . 23 DG C4' . . . . . . . . . c17790_2lg2 1 . 1 . 702 . 2 2 11 DG C5 C -4.517 -1.448 -0.067 . . . 1.0 . . . . . . . . . . . . B . 23 DG C5 . . . . . . . . . c17790_2lg2 1 . 1 . 703 . 2 2 11 DG C5' C -3.496 -8.000 0.078 . . . 1.0 . . . . . . . . . . . . B . 23 DG C5' . . . . . . . . . c17790_2lg2 1 . 1 . 704 . 2 2 11 DG C6 C -4.888 -0.152 0.420 . . . 1.0 . . . . . . . . . . . . B . 23 DG C6 . . . . . . . . . c17790_2lg2 1 . 1 . 705 . 2 2 11 DG C8 C -3.587 -3.198 -0.830 . . . 1.0 . . . . . . . . . . . . B . 23 DG C8 . . . . . . . . . c17790_2lg2 1 . 1 . 706 . 2 2 11 DG H1 H -6.399 0.779 1.435 . . . 1.0 . . . . . . . . . . . . B . 23 DG H1 . . . . . . . . . c17790_2lg2 1 . 1 . 707 . 2 2 11 DG H1' H -6.391 -4.930 0.016 . . . 1.0 . . . . . . . . . . . . B . 23 DG H1' . . . . . . . . . c17790_2lg2 1 . 1 . 708 . 2 2 11 DG H2' H -4.464 -5.483 -2.295 . . . 1.0 . . . . . . . . . . . . B . 23 DG H2' . . . . . . . . . c17790_2lg2 1 . 1 . 709 . 2 2 11 DG H2'' H -6.247 -5.331 -2.347 . . . 1.0 . . . . . . . . . . . . B . 23 DG H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 710 . 2 2 11 DG H21 H -8.753 -1.762 1.719 . . . 1.0 . . . . . . . . . . . . B . 23 DG H21 . . . . . . . . . c17790_2lg2 1 . 1 . 711 . 2 2 11 DG H22 H -8.360 -0.090 2.096 . . . 1.0 . . . . . . . . . . . . B . 23 DG H22 . . . . . . . . . c17790_2lg2 1 . 1 . 712 . 2 2 11 DG H3' H -4.852 -7.751 -2.121 . . . 1.0 . . . . . . . . . . . . B . 23 DG H3' . . . . . . . . . c17790_2lg2 1 . 1 . 713 . 2 2 11 DG H4' H -5.515 -7.622 0.670 . . . 1.0 . . . . . . . . . . . . B . 23 DG H4' . . . . . . . . . c17790_2lg2 1 . 1 . 714 . 2 2 11 DG H5' H -3.077 -7.865 1.075 . . . 1.0 . . . . . . . . . . . . B . 23 DG H5' . . . . . . . . . c17790_2lg2 1 . 1 . 715 . 2 2 11 DG H5'' H -3.730 -9.054 -0.077 . . . 1.0 . . . . . . . . . . . . B . 23 DG H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 716 . 2 2 11 DG H8 H -2.882 -3.893 -1.261 . . . 1.0 . . . . . . . . . . . . B . 23 DG H8 . . . . . . . . . c17790_2lg2 1 . 1 . 717 . 2 2 11 DG N1 N -6.125 -0.102 1.026 . . . 1.0 . . . . . . . . . . . . B . 23 DG N1 . . . . . . . . . c17790_2lg2 1 . 1 . 718 . 2 2 11 DG N2 N -8.122 -0.975 1.672 . . . 1.0 . . . . . . . . . . . . B . 23 DG N2 . . . . . . . . . c17790_2lg2 1 . 1 . 719 . 2 2 11 DG N3 N -6.651 -2.403 0.714 . . . 1.0 . . . . . . . . . . . . B . 23 DG N3 . . . . . . . . . c17790_2lg2 1 . 1 . 720 . 2 2 11 DG N7 N -3.375 -1.902 -0.708 . . . 1.0 . . . . . . . . . . . . B . 23 DG N7 . . . . . . . . . c17790_2lg2 1 . 1 . 721 . 2 2 11 DG N9 N -4.789 -3.625 -0.349 . . . 1.0 . . . . . . . . . . . . B . 23 DG N9 . . . . . . . . . c17790_2lg2 1 . 1 . 722 . 2 2 11 DG O3' O -6.745 -7.680 -1.309 . . . 1.0 . . . . . . . . . . . . B . 23 DG O3' . . . . . . . . . c17790_2lg2 1 . 1 . 723 . 2 2 11 DG O4' O -4.590 -5.827 0.426 . . . 1.0 . . . . . . . . . . . . B . 23 DG O4' . . . . . . . . . c17790_2lg2 1 . 1 . 724 . 2 2 11 DG O5' O -2.549 -7.590 -0.899 . . . 1.0 . . . . . . . . . . . . B . 23 DG O5' . . . . . . . . . c17790_2lg2 1 . 1 . 725 . 2 2 11 DG O6 O -4.273 0.909 0.363 . . . 1.0 . . . . . . . . . . . . B . 23 DG O6 . . . . . . . . . c17790_2lg2 1 . 1 . 726 . 2 2 11 DG OP1 O -1.201 -9.753 -0.932 . . . 1.0 . . . . . . . . . . . . B . 23 DG OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 727 . 2 2 11 DG OP2 O -0.296 -7.615 -2.044 . . . 1.0 . . . . . . . . . . . . B . 23 DG OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 728 . 2 2 11 DG P P -1.078 -8.268 -0.960 . . . 1.0 . . . . . . . . . . . . B . 23 DG P . . . . . . . . . c17790_2lg2 1 . 1 . 729 . 2 2 12 DC C1' C -9.765 -2.957 -2.127 . . . 1.0 . . . . . . . . . . . . B . 24 DC C1' . . . . . . . . . c17790_2lg2 1 . 1 . 730 . 2 2 12 DC C2 C -8.498 -0.787 -1.949 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2 . . . . . . . . . c17790_2lg2 1 . 1 . 731 . 2 2 12 DC C2' C -10.462 -3.352 -3.434 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2' . . . . . . . . . c17790_2lg2 1 . 1 . 732 . 2 2 12 DC C3' C -10.857 -4.821 -3.231 . . . 1.0 . . . . . . . . . . . . B . 24 DC C3' . . . . . . . . . c17790_2lg2 1 . 1 . 733 . 2 2 12 DC C4 C -6.359 -0.573 -2.765 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4 . . . . . . . . . c17790_2lg2 1 . 1 . 734 . 2 2 12 DC C4' C -10.320 -5.154 -1.833 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4' . . . . . . . . . c17790_2lg2 1 . 1 . 735 . 2 2 12 DC C5 C -6.317 -1.930 -3.205 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5 . . . . . . . . . c17790_2lg2 1 . 1 . 736 . 2 2 12 DC C5' C -9.675 -6.550 -1.741 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5' . . . . . . . . . c17790_2lg2 1 . 1 . 737 . 2 2 12 DC C6 C -7.416 -2.689 -2.971 . . . 1.0 . . . . . . . . . . . . B . 24 DC C6 . . . . . . . . . c17790_2lg2 1 . 1 . 738 . 2 2 12 DC H1' H -10.464 -2.428 -1.479 . . . 1.0 . . . . . . . . . . . . B . 24 DC H1' . . . . . . . . . c17790_2lg2 1 . 1 . 739 . 2 2 12 DC H2' H -9.789 -3.310 -4.290 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2' . . . . . . . . . c17790_2lg2 1 . 1 . 740 . 2 2 12 DC H2'' H -11.333 -2.727 -3.630 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2'' . . . . . . . . . c17790_2lg2 1 . 1 . 741 . 2 2 12 DC H3' H -10.376 -5.447 -3.983 . . . 1.0 . . . . . . . . . . . . B . 24 DC H3' . . . . . . . . . c17790_2lg2 1 . 1 . 742 . 2 2 12 DC H4' H -11.142 -5.097 -1.119 . . . 1.0 . . . . . . . . . . . . B . 24 DC H4' . . . . . . . . . c17790_2lg2 1 . 1 . 743 . 2 2 12 DC H41 H -4.517 -0.092 -3.407 . . . 1.0 . . . . . . . . . . . . B . 24 DC H41 . . . . . . . . . c17790_2lg2 1 . 1 . 744 . 2 2 12 DC H42 H -5.450 1.202 -2.659 . . . 1.0 . . . . . . . . . . . . B . 24 DC H42 . . . . . . . . . c17790_2lg2 1 . 1 . 745 . 2 2 12 DC H5 H -5.443 -2.383 -3.648 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5 . . . . . . . . . c17790_2lg2 1 . 1 . 746 . 2 2 12 DC H5' H -9.291 -6.701 -0.732 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5' . . . . . . . . . c17790_2lg2 1 . 1 . 747 . 2 2 12 DC H5'' H -10.462 -7.278 -1.937 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5'' . . . . . . . . . c17790_2lg2 1 . 1 . 748 . 2 2 12 DC H6 H -7.444 -3.727 -3.269 . . . 1.0 . . . . . . . . . . . . B . 24 DC H6 . . . . . . . . . c17790_2lg2 1 . 1 . 749 . 2 2 12 DC HO3' H -12.557 -4.842 -4.214 . . . 1.0 . . . . . . . . . . . . B . 24 DC HO3' . . . . . . . . . c17790_2lg2 1 . 1 . 750 . 2 2 12 DC N1 N -8.528 -2.141 -2.349 . . . 1.0 . . . . . . . . . . . . B . 24 DC N1 . . . . . . . . . c17790_2lg2 1 . 1 . 751 . 2 2 12 DC N3 N -7.395 -0.017 -2.166 . . . 1.0 . . . . . . . . . . . . B . 24 DC N3 . . . . . . . . . c17790_2lg2 1 . 1 . 752 . 2 2 12 DC N4 N -5.369 0.249 -2.986 . . . 1.0 . . . . . . . . . . . . B . 24 DC N4 . . . . . . . . . c17790_2lg2 1 . 1 . 753 . 2 2 12 DC O2 O -9.477 -0.255 -1.424 . . . 1.0 . . . . . . . . . . . . B . 24 DC O2 . . . . . . . . . c17790_2lg2 1 . 1 . 754 . 2 2 12 DC O3' O -12.278 -4.970 -3.304 . . . 1.0 . . . . . . . . . . . . B . 24 DC O3' . . . . . . . . . c17790_2lg2 1 . 1 . 755 . 2 2 12 DC O4' O -9.358 -4.167 -1.521 . . . 1.0 . . . . . . . . . . . . B . 24 DC O4' . . . . . . . . . c17790_2lg2 1 . 1 . 756 . 2 2 12 DC O5' O -8.609 -6.750 -2.688 . . . 1.0 . . . . . . . . . . . . B . 24 DC O5' . . . . . . . . . c17790_2lg2 1 . 1 . 757 . 2 2 12 DC OP1 O -8.481 -9.204 -2.326 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP1 . . . . . . . . . c17790_2lg2 1 . 1 . 758 . 2 2 12 DC OP2 O -6.802 -7.990 -3.820 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP2 . . . . . . . . . c17790_2lg2 1 . 1 . 759 . 2 2 12 DC P P -7.648 -8.005 -2.607 . . . 1.0 . . . . . . . . . . . . B . 24 DC P . . . . . . . . . c17790_2lg2 1 . 1 . 760 . 3 3 1 . C1 C 10.612 1.378 10.758 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C1 . . . . . . . . . c17790_2lg2 1 . 1 . 761 . 3 3 1 . C2 C 9.144 1.061 10.950 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C2 . . . . . . . . . c17790_2lg2 1 . 1 . 762 . 3 3 1 . C3 C 9.105 0.387 12.298 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C3 . . . . . . . . . c17790_2lg2 1 . 1 . 763 . 3 3 1 . C4 C 10.275 1.063 13.029 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C4 . . . . . . . . . c17790_2lg2 1 . 1 . 764 . 3 3 1 . C5 C 9.945 2.310 13.887 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C5 . . . . . . . . . c17790_2lg2 1 . 1 . 765 . 3 3 1 . C6 C 9.662 1.969 15.338 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C6 . . . . . . . . . c17790_2lg2 1 . 1 . 766 . 3 3 1 . C7 C 9.838 3.181 16.278 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C7 . . . . . . . . . c17790_2lg2 1 . 1 . 767 . 3 3 1 . C8 C 9.121 4.465 15.865 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C8 . . . . . . . . . c17790_2lg2 1 . 1 . 768 . 3 3 1 . C9 C 9.872 5.337 14.850 . . . 1.0 . . . . . . . . . . . . A . 25 2LE C9 . . . . . . . . . c17790_2lg2 1 . 1 . 769 . 3 3 1 . H1 H 10.774 2.308 10.212 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H1 . . . . . . . . . c17790_2lg2 1 . 1 . 770 . 3 3 1 . H12 H 8.760 0.399 10.174 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H12 . . . . . . . . . c17790_2lg2 1 . 1 . 771 . 3 3 1 . H15 H 9.061 2.817 13.501 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H15 . . . . . . . . . c17790_2lg2 1 . 1 . 772 . 3 3 1 . H16 H 8.649 1.569 15.383 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H16 . . . . . . . . . c17790_2lg2 1 . 1 . 773 . 3 3 1 . H17 H 10.901 3.365 16.432 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H17 . . . . . . . . . c17790_2lg2 1 . 1 . 774 . 3 3 1 . H18 H 8.142 4.205 15.464 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H18 . . . . . . . . . c17790_2lg2 1 . 1 . 775 . 3 3 1 . H19 H 10.921 5.395 15.140 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H19 . . . . . . . . . c17790_2lg2 1 . 1 . 776 . 3 3 1 . H22 H 8.553 1.977 10.953 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H22 . . . . . . . . . c17790_2lg2 1 . 1 . 777 . 3 3 1 . H25 H 10.804 2.980 13.897 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H25 . . . . . . . . . c17790_2lg2 1 . 1 . 778 . 3 3 1 . H26 H 10.341 1.189 15.683 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H26 . . . . . . . . . c17790_2lg2 1 . 1 . 779 . 3 3 1 . H27 H 9.442 2.881 17.248 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H27 . . . . . . . . . c17790_2lg2 1 . 1 . 780 . 3 3 1 . H28 H 9.003 5.071 16.763 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H28 . . . . . . . . . c17790_2lg2 1 . 1 . 781 . 3 3 1 . H29 H 9.813 4.885 13.860 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H29 . . . . . . . . . c17790_2lg2 1 . 1 . 782 . 3 3 1 . H3 H 9.387 -0.656 12.151 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H3 . . . . . . . . . c17790_2lg2 1 . 1 . 783 . 3 3 1 . H39 H 9.425 6.332 14.851 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H39 . . . . . . . . . c17790_2lg2 1 . 1 . 784 . 3 3 1 . H4 H 10.778 0.318 13.646 . . . 1.0 . . . . . . . . . . . . A . 25 2LE H4 . . . . . . . . . c17790_2lg2 1 . 1 . 785 . 3 3 1 . HO1 H 12.249 0.448 10.408 . . . 1.0 . . . . . . . . . . . . A . 25 2LE HO1 . . . . . . . . . c17790_2lg2 1 . 1 . 786 . 3 3 1 . O1 O 11.330 0.303 10.172 . . . 1.0 . . . . . . . . . . . . A . 25 2LE O1 . . . . . . . . . c17790_2lg2 1 . 1 . 787 . 3 3 1 . O4 O 11.219 1.419 12.039 . . . 1.0 . . . . . . . . . . . . A . 25 2LE O4 . . . . . . . . . c17790_2lg2 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 c17790_2lg2 _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 2lg2.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c17790_2lg2 1 1 2lg2.mr . . DYANA/DIANA 2 distance NOE simple 240 c17790_2lg2 1 1 2lg2.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c17790_2lg2 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 c17790_2lg2 _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 . . . . c17790_2lg2 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 . . . . . . . 3.00 . . . . . A . 1 DG H8 . . A . 1 DG H1' . . . 1 DG H8 . . . . . 1 DG H1' . . c17790_2lg2 1 2 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H3' H . . . . . . . 3.50 . . . . . A . 1 DG H1' . . A . 1 DG H3' . . . 1 DG H1' . . . . . 1 DG H3' . . c17790_2lg2 1 3 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2' H . . . . . . . 2.41 . . . . . A . 1 DG H1' . . A . 1 DG H2' . . . 1 DG H1' . . . . . 1 DG H2'1 . . c17790_2lg2 1 4 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H2' H . . . . . . . 2.21 . . . . . A . 1 DG H8 . . A . 1 DG H2' . . . 1 DG H8 . . . . . 1 DG H2'1 . . c17790_2lg2 1 5 1 . . 1 1 1 1 DG H3' H . . . 1 1 1 1 DG H2' H . . . . . . . 2.12 . . . . . A . 1 DG H3' . . A . 1 DG H2' . . . 1 DG H3' . . . . . 1 DG H2'1 . . c17790_2lg2 1 6 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2'' H . . . . . . . 2.14 . . . . . A . 1 DG H1' . . A . 1 DG H2'' . . . 1 DG H1' . . . . . 1 DG H2'2 . . c17790_2lg2 1 7 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H2'' H . . . . . . . 3.00 . . . . . A . 1 DG H8 . . A . 1 DG H2'' . . . 1 DG H8 . . . . . 1 DG H2'2 . . c17790_2lg2 1 8 1 . . 1 1 1 1 DG H3' H . . . 1 1 1 1 DG H2'' H . . . . . . . 2.54 . . . . . A . 1 DG H3' . . A . 1 DG H2'' . . . 1 DG H3' . . . . . 1 DG H2'2 . . c17790_2lg2 1 9 1 . . 1 1 1 1 DG H1' H . . . 1 1 2 2 DC H6 H . . . . . . . 2.82 . . . . . A . 1 DG H1' . . A . 2 DC H6 . . . 1 DG H1' . . . . . 2 DC H6 . . c17790_2lg2 1 10 1 . . 1 1 1 1 DG H2' H . . . 1 1 2 2 DC H6 H . . . . . . . 2.99 . . . . . A . 1 DG H2' . . A . 2 DC H6 . . . 1 DG H2'1 . . . . . 2 DC H6 . . c17790_2lg2 1 11 1 . . 1 1 1 1 DG H2'' H . . . 1 1 2 2 DC H6 H . . . . . . . 2.48 . . . . . A . 1 DG H2'' . . A . 2 DC H6 . . . 1 DG H2'2 . . . . . 2 DC H6 . . c17790_2lg2 1 12 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H1' H . . . . . . . 2.87 . . . . . A . 2 DC H6 . . A . 2 DC H1' . . . 2 DC H6 . . . . . 2 DC H1' . . c17790_2lg2 1 13 1 . . 1 1 1 1 DG H1' H . . . 1 1 2 2 DC H5 H . . . . . . . 4.10 . . . . . A . 1 DG H1' . . A . 2 DC H5 . . . 1 DG H1' . . . . . 2 DC H5 . . c17790_2lg2 1 14 1 . . 1 1 1 1 DG H8 H . . . 1 1 2 2 DC H5 H . . . . . . . 4.33 . . . . . A . 1 DG H8 . . A . 2 DC H5 . . . 1 DG H8 . . . . . 2 DC H5 . . c17790_2lg2 1 15 1 . . 1 1 1 1 DG H2' H . . . 1 1 2 2 DC H5 H . . . . . . . 2.65 . . . . . A . 1 DG H2' . . A . 2 DC H5 . . . 1 DG H2'1 . . . . . 2 DC H5 . . c17790_2lg2 1 16 1 . . 1 1 1 1 DG H2'' H . . . 1 1 2 2 DC H5 H . . . . . . . 3.18 . . . . . A . 1 DG H2'' . . A . 2 DC H5 . . . 1 DG H2'2 . . . . . 2 DC H5 . . c17790_2lg2 1 17 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H3' H . . . . . . . 2.77 . . . . . A . 2 DC H6 . . A . 2 DC H3' . . . 2 DC H6 . . . . . 2 DC H3' . . c17790_2lg2 1 18 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H2' H . . . . . . . 2.42 . . . . . A . 2 DC H6 . . A . 2 DC H2' . . . 2 DC H6 . . . . . 2 DC H2'1 . . c17790_2lg2 1 19 1 . . 1 1 2 2 DC H3' H . . . 1 1 2 2 DC H2' H . . . . . . . 1.90 . . . . . A . 2 DC H3' . . A . 2 DC H2' . . . 2 DC H3' . . . . . 2 DC H2'1 . . c17790_2lg2 1 20 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H2'' H . . . . . . . 3.00 . . . . . A . 2 DC H6 . . A . 2 DC H2'' . . . 2 DC H6 . . . . . 2 DC H2'2 . . c17790_2lg2 1 21 1 . . 1 1 2 2 DC H1' H . . . 1 1 3 3 DT H6 H . . . . . . . 3.30 . . . . . A . 2 DC H1' . . A . 3 DT H6 . . . 2 DC H1' . . . . . 3 DT H6 . . c17790_2lg2 1 22 1 . . 1 1 3 3 DT H6 H . . . 1 1 3 3 DT H1' H . . . . . . . 3.00 . . . . . A . 3 DT H6 . . A . 3 DT H1' . . . 3 DT H6 . . . . . 3 DT H1' . . c17790_2lg2 1 23 1 . . 1 1 2 2 DC H1' H . . . 1 1 3 3 DT M7 H . . . . . . . 3.89 . . . . . A . 2 DC H1' . . A . 3 DT M7 . . . 2 DC H1' . . . . . 3 DT M7 . . c17790_2lg2 1 24 1 . . 1 1 2 2 DC H6 H . . . 1 1 3 3 DT M7 H . . . . . . . 2.81 . . . . . A . 2 DC H6 . . A . 3 DT M7 . . . 2 DC H6 . . . . . 3 DT M7 . . c17790_2lg2 1 25 1 . . 1 1 2 2 DC H5 H . . . 1 1 3 3 DT M7 H . . . . . . . 3.13 . . . . . A . 2 DC H5 . . A . 3 DT M7 . . . 2 DC H5 . . . . . 3 DT M7 . . c17790_2lg2 1 26 1 . . 1 1 2 2 DC H3' H . . . 1 1 3 3 DT M7 H . . . . . . . 3.62 . . . . . A . 2 DC H3' . . A . 3 DT M7 . . . 2 DC H3' . . . . . 3 DT M7 . . c17790_2lg2 1 27 1 . . 1 1 2 2 DC H2'' H . . . 1 1 3 3 DT M7 H . . . . . . . 3.53 . . . . . A . 2 DC H2'' . . A . 3 DT M7 . . . 2 DC H2'2 . . . . . 3 DT M7 . . c17790_2lg2 1 28 1 . . 1 1 3 3 DT H1' H . . . 1 1 3 3 DT H3' H . . . . . . . 3.32 . . . . . A . 3 DT H1' . . A . 3 DT H3' . . . 3 DT H1' . . . . . 3 DT H3' . . c17790_2lg2 1 29 1 . . 1 1 3 3 DT H1' H . . . 1 1 3 3 DT H2' H . . . . . . . 2.20 . . . . . A . 3 DT H1' . . A . 3 DT H2' . . . 3 DT H1' . . . . . 3 DT H2'1 . . c17790_2lg2 1 30 1 . . 1 1 3 3 DT H1' H . . . 1 1 3 3 DT H2'' H . . . . . . . 2.13 . . . . . A . 3 DT H1' . . A . 3 DT H2'' . . . 3 DT H1' . . . . . 3 DT H2'2 . . c17790_2lg2 1 31 1 . . 1 1 11 11 DC H2' H . . . 1 1 11 11 DC H1' H . . . . . . . 2.64 . . . . . A . 11 DC H2' . . A . 11 DC H1' . . . 11 DC H2'1 . . . . . 11 DC H1' . . c17790_2lg2 1 32 1 . . 1 1 11 11 DC H2' H . . . 1 1 11 11 DC H3' H . . . . . . . 2.18 . . . . . A . 11 DC H2' . . A . 11 DC H3' . . . 11 DC H2'1 . . . . . 11 DC H3' . . c17790_2lg2 1 33 1 . . 1 1 11 11 DC H1' H . . . 1 1 11 11 DC H2'' H . . . . . . . 2.14 . . . . . A . 11 DC H1' . . A . 11 DC H2'' . . . 11 DC H1' . . . . . 11 DC H2'2 . . c17790_2lg2 1 34 1 . . 1 1 11 11 DC H1' H . . . 1 1 12 12 DC H6 H . . . . . . . 4.00 . . . . . A . 11 DC H1' . . A . 12 DC H6 . . . 11 DC H1' . . . . . 12 DC H6 . . c17790_2lg2 1 35 1 . . 1 1 11 11 DC H3' H . . . 1 1 12 12 DC H6 H . . . . . . . 3.42 . . . . . A . 11 DC H3' . . A . 12 DC H6 . . . 11 DC H3' . . . . . 12 DC H6 . . c17790_2lg2 1 36 1 . . 1 1 11 11 DC H2' H . . . 1 1 12 12 DC H6 H . . . . . . . 3.11 . . . . . A . 11 DC H2' . . A . 12 DC H6 . . . 11 DC H2'1 . . . . . 12 DC H6 . . c17790_2lg2 1 37 1 . . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H1' H . . . . . . . 3.79 . . . . . A . 12 DC H6 . . A . 12 DC H1' . . . 12 DC H6 . . . . . 12 DC H1' . . c17790_2lg2 1 38 1 . . 1 1 11 11 DC H3' H . . . 1 1 12 12 DC H5 H . . . . . . . 5.50 . . . . . A . 11 DC H3' . . A . 12 DC H5 . . . 11 DC H3' . . . . . 12 DC H5 . . c17790_2lg2 1 39 1 . . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H3' H . . . . . . . 3.96 . . . . . A . 12 DC H1' . . A . 12 DC H3' . . . 12 DC H1' . . . . . 12 DC H3' . . c17790_2lg2 1 40 1 . . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H3' H . . . . . . . 2.66 . . . . . A . 12 DC H6 . . A . 12 DC H3' . . . 12 DC H6 . . . . . 12 DC H3' . . c17790_2lg2 1 41 1 . . 1 1 12 12 DC H5 H . . . 1 1 12 12 DC H3' H . . . . . . . 4.49 . . . . . A . 12 DC H5 . . A . 12 DC H3' . . . 12 DC H5 . . . . . 12 DC H3' . . c17790_2lg2 1 42 1 OR . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H2' H . . . . . . . 2.33 . . . . . A . 12 DC H1' . . A . 12 DC H2' . . . 12 DC H1' . . . . . 12 DC Q2' . . c17790_2lg2 1 42 2 OR . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H2'' H . . . . . . . 2.33 . . . . . A . 12 DC H1' . . A . 12 DC H2'' . . . 12 DC H1' . . . . . 12 DC Q2' . . c17790_2lg2 1 43 1 OR . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H2' H . . . . . . . 2.91 . . . . . A . 12 DC H6 . . A . 12 DC H2' . . . 12 DC H6 . . . . . 12 DC Q2' . . c17790_2lg2 1 43 2 OR . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H2'' H . . . . . . . 2.91 . . . . . A . 12 DC H6 . . A . 12 DC H2'' . . . 12 DC H6 . . . . . 12 DC Q2' . . c17790_2lg2 1 44 1 OR . 1 1 12 12 DC H3' H . . . 1 1 12 12 DC H2' H . . . . . . . 2.40 . . . . . A . 12 DC H3' . . A . 12 DC H2' . . . 12 DC H3' . . . . . 12 DC Q2' . . c17790_2lg2 1 44 2 OR . 1 1 12 12 DC H3' H . . . 1 1 12 12 DC H2'' H . . . . . . . 2.40 . . . . . A . 12 DC H3' . . A . 12 DC H2'' . . . 12 DC H3' . . . . . 12 DC Q2' . . c17790_2lg2 1 45 1 . . 2 2 1 1 DG H8 H . . . 2 2 1 1 DG H1' H . . . . . . . 3.30 . . . . . B . 13 DG H8 . . B . 13 DG H1' . . . 13 DG H8 . . . . . 13 DG H1' . . c17790_2lg2 1 46 1 . . 2 2 1 1 DG H1' H . . . 2 2 1 1 DG H3' H . . . . . . . 3.53 . . . . . B . 13 DG H1' . . B . 13 DG H3' . . . 13 DG H1' . . . . . 13 DG H3' . . c17790_2lg2 1 47 1 . . 2 2 1 1 DG H8 H . . . 2 2 1 1 DG H3' H . . . . . . . 3.27 . . . . . B . 13 DG H8 . . B . 13 DG H3' . . . 13 DG H8 . . . . . 13 DG H3' . . c17790_2lg2 1 48 1 . . 2 2 1 1 DG H3' H . . . 2 2 1 1 DG H2' H . . . . . . . 2.26 . . . . . B . 13 DG H3' . . B . 13 DG H2' . . . 13 DG H3' . . . . . 13 DG H2'1 . . c17790_2lg2 1 49 1 . . 2 2 1 1 DG H1' H . . . 2 2 1 1 DG H2'' H . . . . . . . 2.24 . . . . . B . 13 DG H1' . . B . 13 DG H2'' . . . 13 DG H1' . . . . . 13 DG H2'2 . . c17790_2lg2 1 50 1 . . 2 2 2 2 DG H2' H . . . 2 2 2 2 DG H8 H . . . . . . . 2.10 . . . . . B . 14 DG H2' . . B . 14 DG H8 . . . 14 DG H2'1 . . . . . 14 DG H8 . . c17790_2lg2 1 51 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H2'' H . . . . . . . 2.38 . . . . . B . 14 DG H8 . . B . 14 DG H2'' . . . 14 DG H8 . . . . . 14 DG H2'2 . . c17790_2lg2 1 52 1 . . 2 2 2 2 DG H8 H . . . 2 2 3 3 DA H8 H . . . . . . . 4.74 . . . . . B . 14 DG H8 . . B . 15 DA H8 . . . 14 DG H8 . . . . . 15 DA H8 . . c17790_2lg2 1 53 1 . . 2 2 3 3 DA H8 H . . . 2 2 3 3 DA H1' H . . . . . . . 3.42 . . . . . B . 15 DA H8 . . B . 15 DA H1' . . . 15 DA H8 . . . . . 15 DA H1' . . c17790_2lg2 1 54 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 . . c17790_2lg2 1 55 1 . . 2 2 3 3 DA H1' H . . . 2 2 3 3 DA H2 H . . . . . . . 4.04 . . . . . B . 15 DA H1' . . B . 15 DA H2 . . . 15 DA H1' . . . . . 15 DA H2 . . c17790_2lg2 1 56 1 . . 2 2 3 3 DA H1' H . . . 2 2 3 3 DA H3' H . . . . . . . 3.51 . . . . . B . 15 DA H1' . . B . 15 DA H3' . . . 15 DA H1' . . . . . 15 DA H3' . . c17790_2lg2 1 57 1 . . 2 2 3 3 DA H1' H . . . 2 2 3 3 DA H2' H . . . . . . . 2.73 . . . . . B . 15 DA H1' . . B . 15 DA H2' . . . 15 DA H1' . . . . . 15 DA H2'1 . . c17790_2lg2 1 58 1 . . 2 2 3 3 DA H1' H . . . 2 2 3 3 DA H2'' H . . . . . . . 2.26 . . . . . B . 15 DA H1' . . B . 15 DA H2'' . . . 15 DA H1' . . . . . 15 DA H2'2 . . c17790_2lg2 1 59 1 . . 2 2 10 10 DA H8 H . . . 2 2 9 9 DT H3' H . . . . . . . 4.08 . . . . . B . 22 DA H8 . . B . 21 DT H3' . . . 22 DA H8 . . . . . 21 DT H3' . . c17790_2lg2 1 60 1 . . 2 2 10 10 DA H8 H . . . 2 2 9 9 DT H2' H . . . . . . . 3.11 . . . . . B . 22 DA H8 . . B . 21 DT H2' . . . 22 DA H8 . . . . . 21 DT H2'1 . . c17790_2lg2 1 61 1 . . 2 2 10 10 DA H8 H . . . 2 2 9 9 DT H2'' H . . . . . . . 3.00 . . . . . B . 22 DA H8 . . B . 21 DT H2'' . . . 22 DA H8 . . . . . 21 DT H2'2 . . c17790_2lg2 1 62 1 . . 2 2 10 10 DA H2 H . . . 1 1 4 4 DA H1' H . . . . . . . 4.71 . . . . . B . 22 DA H2 . . A . 4 DA H1' . . . 22 DA H2 . . . . . 4 DA H1' . . c17790_2lg2 1 63 1 . . 2 2 11 11 DG H8 H . . . 2 2 11 11 DG H1' H . . . . . . . 2.80 . . . . . B . 23 DG H8 . . B . 23 DG H1' . . . 23 DG H8 . . . . . 23 DG H1' . . c17790_2lg2 1 64 1 . . 2 2 11 11 DG H1' H . . . 2 2 11 11 DG H3' H . . . . . . . 3.66 . . . . . B . 23 DG H1' . . B . 23 DG H3' . . . 23 DG H1' . . . . . 23 DG H3' . . c17790_2lg2 1 65 1 . . 2 2 12 12 DC H6 H . . . 2 2 12 12 DC H1' H . . . . . . . 3.39 . . . . . B . 24 DC H6 . . B . 24 DC H1' . . . 24 DC H6 . . . . . 24 DC H1' . . c17790_2lg2 1 66 1 . . 2 2 11 11 DG H1' H . . . 2 2 12 12 DC H5 H . . . . . . . 4.05 . . . . . B . 23 DG H1' . . B . 24 DC H5 . . . 23 DG H1' . . . . . 24 DC H5 . . c17790_2lg2 1 67 1 . . 2 2 11 11 DG H8 H . . . 2 2 12 12 DC H5 H . . . . . . . 3.43 . . . . . B . 23 DG H8 . . B . 24 DC H5 . . . 23 DG H8 . . . . . 24 DC H5 . . c17790_2lg2 1 68 1 . . 2 2 12 12 DC H5 H . . . 2 2 11 11 DG H2' H . . . . . . . 3.10 . . . . . B . 24 DC H5 . . B . 23 DG H2' . . . 24 DC H5 . . . . . 23 DG H2'1 . . c17790_2lg2 1 69 1 . . 2 2 12 12 DC H5 H . . . 2 2 11 11 DG H2'' H . . . . . . . 2.88 . . . . . B . 24 DC H5 . . B . 23 DG H2'' . . . 24 DC H5 . . . . . 23 DG H2'2 . . c17790_2lg2 1 70 1 . . 2 2 12 12 DC H1' H . . . 2 2 12 12 DC H3' H . . . . . . . 3.50 . . . . . B . 24 DC H1' . . B . 24 DC H3' . . . 24 DC H1' . . . . . 24 DC H3' . . c17790_2lg2 1 71 1 . . 2 2 12 12 DC H6 H . . . 2 2 12 12 DC H3' H . . . . . . . 2.98 . . . . . B . 24 DC H6 . . B . 24 DC H3' . . . 24 DC H6 . . . . . 24 DC H3' . . c17790_2lg2 1 72 1 . . 2 2 12 12 DC H1' H . . . 2 2 12 12 DC H2' H . . . . . . . 2.96 . . . . . B . 24 DC H1' . . B . 24 DC H2' . . . 24 DC H1' . . . . . 24 DC H2'1 . . c17790_2lg2 1 73 1 . . 2 2 12 12 DC H3' H . . . 2 2 12 12 DC H2' H . . . . . . . 2.16 . . . . . B . 24 DC H3' . . B . 24 DC H2' . . . 24 DC H3' . . . . . 24 DC H2'1 . . c17790_2lg2 1 74 1 . . 2 2 12 12 DC H1' H . . . 2 2 12 12 DC H2'' H . . . . . . . 2.08 . . . . . B . 24 DC H1' . . B . 24 DC H2'' . . . 24 DC H1' . . . . . 24 DC H2'2 . . c17790_2lg2 1 75 1 . . 2 2 12 12 DC H3' H . . . 2 2 12 12 DC H2'' H . . . . . . . 2.95 . . . . . B . 24 DC H3' . . B . 24 DC H2'' . . . 24 DC H3' . . . . . 24 DC H2'2 . . c17790_2lg2 1 76 1 . . 1 1 3 3 DT H1' H . . . 1 1 4 4 DA H8 H . . . . . . . 3.50 . . . . . A . 3 DT H1' . . A . 4 DA H8 . . . 3 DT H1' . . . . . 4 DA H8 . . c17790_2lg2 1 77 1 . . 1 1 3 3 DT H6 H . . . 1 1 4 4 DA H8 H . . . . . . . 4.31 . . . . . A . 3 DT H6 . . A . 4 DA H8 . . . 3 DT H6 . . . . . 4 DA H8 . . c17790_2lg2 1 78 1 . . 1 1 3 3 DT H3' H . . . 1 1 4 4 DA H8 H . . . . . . . 4.32 . . . . . A . 3 DT H3' . . A . 4 DA H8 . . . 3 DT H3' . . . . . 4 DA H8 . . c17790_2lg2 1 79 1 . . 1 1 3 3 DT H2' H . . . 1 1 4 4 DA H8 H . . . . . . . 3.90 . . . . . A . 3 DT H2' . . A . 4 DA H8 . . . 3 DT H2'1 . . . . . 4 DA H8 . . c17790_2lg2 1 80 1 . . 1 1 3 3 DT H2'' H . . . 1 1 4 4 DA H8 H . . . . . . . 3.21 . . . . . A . 3 DT H2'' . . A . 4 DA H8 . . . 3 DT H2'2 . . . . . 4 DA H8 . . c17790_2lg2 1 81 1 . . 1 1 4 4 DA H1' H . . . 1 1 4 4 DA H8 H . . . . . . . 2.38 . . . . . A . 4 DA H1' . . A . 4 DA H8 . . . 4 DA H1' . . . . . 4 DA H8 . . c17790_2lg2 1 82 1 . . 1 1 4 4 DA H8 H . . . 1 1 4 4 DA H3' H . . . . . . . 3.50 . . . . . A . 4 DA H8 . . A . 4 DA H3' . . . 4 DA H8 . . . . . 4 DA H3' . . c17790_2lg2 1 83 1 . . 1 1 4 4 DA H8 H . . . 1 1 4 4 DA H2' H . . . . . . . 1.96 . . . . . A . 4 DA H8 . . A . 4 DA H2' . . . 4 DA H8 . . . . . 4 DA H2'1 . . c17790_2lg2 1 84 1 . . 1 1 4 4 DA H8 H . . . 1 1 4 4 DA H2'' H . . . . . . . 2.21 . . . . . A . 4 DA H8 . . A . 4 DA H2'' . . . 4 DA H8 . . . . . 4 DA H2'2 . . c17790_2lg2 1 85 1 . . 1 1 4 4 DA H1' H . . . 1 1 5 5 DG H8 H . . . . . . . 3.50 . . . . . A . 4 DA H1' . . A . 5 DG H8 . . . 4 DA H1' . . . . . 5 DG H8 . . c17790_2lg2 1 86 1 . . 1 1 4 4 DA H8 H . . . 1 1 5 5 DG H8 H . . . . . . . 4.50 . . . . . A . 4 DA H8 . . A . 5 DG H8 . . . 4 DA H8 . . . . . 5 DG H8 . . c17790_2lg2 1 87 1 . . 1 1 4 4 DA H3' H . . . 1 1 5 5 DG H8 H . . . . . . . 3.55 . . . . . A . 4 DA H3' . . A . 5 DG H8 . . . 4 DA H3' . . . . . 5 DG H8 . . c17790_2lg2 1 88 1 . . 1 1 4 4 DA H2'' H . . . 1 1 5 5 DG H8 H . . . . . . . 3.00 . . . . . A . 4 DA H2'' . . A . 5 DG H8 . . . 4 DA H2'2 . . . . . 5 DG H8 . . c17790_2lg2 1 89 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H1' H . . . . . . . 2.85 . . . . . A . 5 DG H8 . . A . 5 DG H1' . . . 5 DG H8 . . . . . 5 DG H1' . . c17790_2lg2 1 90 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H3' H . . . . . . . 3.70 . . . . . A . 5 DG H8 . . A . 5 DG H3' . . . 5 DG H8 . . . . . 5 DG H3' . . c17790_2lg2 1 91 1 . . 1 1 5 5 DG H1' H . . . 1 1 5 5 DG H2' H . . . . . . . 2.00 . . . . . A . 5 DG H1' . . A . 5 DG H2' . . . 5 DG H1' . . . . . 5 DG H2'1 . . c17790_2lg2 1 92 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H2' H . . . . . . . 2.24 . . . . . A . 5 DG H8 . . A . 5 DG H2' . . . 5 DG H8 . . . . . 5 DG H2'1 . . c17790_2lg2 1 93 1 . . 1 1 5 5 DG H1' H . . . 1 1 5 5 DG H2'' H . . . . . . . 2.50 . . . . . A . 5 DG H1' . . A . 5 DG H2'' . . . 5 DG H1' . . . . . 5 DG H2'2 . . c17790_2lg2 1 94 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H2'' H . . . . . . . 3.15 . . . . . A . 5 DG H8 . . A . 5 DG H2'' . . . 5 DG H8 . . . . . 5 DG H2'2 . . c17790_2lg2 1 95 1 . . 1 1 5 5 DG H1' H . . . 1 1 6 6 DC H6 H . . . . . . . 3.05 . . . . . A . 5 DG H1' . . A . 6 DC H6 . . . 5 DG H1' . . . . . 6 DC H6 . . c17790_2lg2 1 96 1 . . 1 1 5 5 DG H3' H . . . 1 1 6 6 DC H6 H . . . . . . . 3.91 . . . . . A . 5 DG H3' . . A . 6 DC H6 . . . 5 DG H3' . . . . . 6 DC H6 . . c17790_2lg2 1 97 1 . . 1 1 5 5 DG H1' H . . . 1 1 6 6 DC H5 H . . . . . . . 3.70 . . . . . A . 5 DG H1' . . A . 6 DC H5 . . . 5 DG H1' . . . . . 6 DC H5 . . c17790_2lg2 1 98 1 . . 1 1 5 5 DG H8 H . . . 1 1 6 6 DC H5 H . . . . . . . 3.72 . . . . . A . 5 DG H8 . . A . 6 DC H5 . . . 5 DG H8 . . . . . 6 DC H5 . . c17790_2lg2 1 99 1 . . 1 1 5 5 DG H2' H . . . 1 1 6 6 DC H5 H . . . . . . . 3.10 . . . . . A . 5 DG H2' . . A . 6 DC H5 . . . 5 DG H2'1 . . . . . 6 DC H5 . . c17790_2lg2 1 100 1 . . 1 1 5 5 DG H2'' H . . . 1 1 6 6 DC H5 H . . . . . . . 2.68 . . . . . A . 5 DG H2'' . . A . 6 DC H5 . . . 5 DG H2'2 . . . . . 6 DC H5 . . c17790_2lg2 1 101 1 . . 1 1 6 6 DC H5 H . . . 1 1 6 6 DC H2' H . . . . . . . 2.80 . . . . . A . 6 DC H5 . . A . 6 DC H2' . . . 6 DC H5 . . . . . 6 DC H2'1 . . c17790_2lg2 1 102 1 . . 1 1 6 6 DC H2'' H . . . 1 1 6 6 DC H1' H . . . . . . . 2.31 . . . . . A . 6 DC H2'' . . A . 6 DC H1' . . . 6 DC H2'2 . . . . . 6 DC H1' . . c17790_2lg2 1 103 1 . . 1 1 6 6 DC H6 H . . . 1 1 6 6 DC H2'' H . . . . . . . 3.00 . . . . . A . 6 DC H6 . . A . 6 DC H2'' . . . 6 DC H6 . . . . . 6 DC H2'2 . . c17790_2lg2 1 104 1 . . 1 1 6 6 DC H1' H . . . 1 1 7 7 DG H8 H . . . . . . . 3.39 . . . . . A . 6 DC H1' . . A . 7 DG H8 . . . 6 DC H1' . . . . . 7 DG H8 . . c17790_2lg2 1 105 1 . . 1 1 6 6 DC H6 H . . . 1 1 7 7 DG H8 H . . . . . . . 4.75 . . . . . A . 6 DC H6 . . A . 7 DG H8 . . . 6 DC H6 . . . . . 7 DG H8 . . c17790_2lg2 1 106 1 . . 1 1 6 6 DC H2' H . . . 1 1 7 7 DG H8 H . . . . . . . 3.25 . . . . . A . 6 DC H2' . . A . 7 DG H8 . . . 6 DC H2'1 . . . . . 7 DG H8 . . c17790_2lg2 1 107 1 . . 1 1 6 6 DC H2'' H . . . 1 1 7 7 DG H8 H . . . . . . . 2.75 . . . . . A . 6 DC H2'' . . A . 7 DG H8 . . . 6 DC H2'2 . . . . . 7 DG H8 . . c17790_2lg2 1 108 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H1' H . . . . . . . 3.51 . . . . . A . 7 DG H8 . . A . 7 DG H1' . . . 7 DG H8 . . . . . 7 DG H1' . . c17790_2lg2 1 109 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H3' H . . . . . . . 3.53 . . . . . A . 7 DG H8 . . A . 7 DG H3' . . . 7 DG H8 . . . . . 7 DG H3' . . c17790_2lg2 1 110 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2' H . . . . . . . 2.42 . . . . . A . 7 DG H1' . . A . 7 DG H2' . . . 7 DG H1' . . . . . 7 DG H2'1 . . c17790_2lg2 1 111 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H2' H . . . . . . . 2.08 . . . . . A . 7 DG H8 . . A . 7 DG H2' . . . 7 DG H8 . . . . . 7 DG H2'1 . . c17790_2lg2 1 112 1 . . 1 1 7 7 DG H3' H . . . 1 1 7 7 DG H2' H . . . . . . . 2.03 . . . . . A . 7 DG H3' . . A . 7 DG H2' . . . 7 DG H3' . . . . . 7 DG H2'1 . . c17790_2lg2 1 113 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2'' H . . . . . . . 2.36 . . . . . A . 7 DG H1' . . A . 7 DG H2'' . . . 7 DG H1' . . . . . 7 DG H2'2 . . c17790_2lg2 1 114 1 . . 1 1 7 7 DG H8 H . . . 1 1 8 8 DA H8 H . . . . . . . 3.55 . . . . . A . 7 DG H8 . . A . 8 DA H8 . . . 7 DG H8 . . . . . 8 DA H8 . . c17790_2lg2 1 115 1 . . 1 1 7 7 DG H2'' H . . . 1 1 8 8 DA H8 H . . . . . . . 2.57 . . . . . A . 7 DG H2'' . . A . 8 DA H8 . . . 7 DG H2'2 . . . . . 8 DA H8 . . c17790_2lg2 1 116 1 . . 1 1 8 8 DA H3' H . . . 1 1 8 8 DA H1' H . . . . . . . 3.28 . . . . . A . 8 DA H3' . . A . 8 DA H1' . . . 8 DA H3' . . . . . 8 DA H1' . . c17790_2lg2 1 117 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H3' H . . . . . . . 3.28 . . . . . A . 8 DA H8 . . A . 8 DA H3' . . . 8 DA H8 . . . . . 8 DA H3' . . c17790_2lg2 1 118 1 . . 1 1 8 8 DA H1' H . . . 1 1 8 8 DA H2' H . . . . . . . 2.69 . . . . . A . 8 DA H1' . . A . 8 DA H2' . . . 8 DA H1' . . . . . 8 DA H2'1 . . c17790_2lg2 1 119 1 . . 1 1 9 9 DG H1' H . . . 1 1 8 8 DA H2 H . . . . . . . 4.37 . . . . . A . 9 DG H1' . . A . 8 DA H2 . . . 9 DG H1' . . . . . 8 DA H2 . . c17790_2lg2 1 120 1 . . 1 1 8 8 DA H1' H . . . 1 1 9 9 DG H8 H . . . . . . . 3.63 . . . . . A . 8 DA H1' . . A . 9 DG H8 . . . 8 DA H1' . . . . . 9 DG H8 . . c17790_2lg2 1 121 1 . . 1 1 9 9 DG H8 H . . . 1 1 8 8 DA H2'' H . . . . . . . 2.26 . . . . . A . 9 DG H8 . . A . 8 DA H2'' . . . 9 DG H8 . . . . . 8 DA H2'2 . . c17790_2lg2 1 122 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H2' H . . . . . . . 2.74 . . . . . A . 9 DG H1' . . A . 9 DG H2' . . . 9 DG H1' . . . . . 9 DG H2'1 . . c17790_2lg2 1 123 1 . . 1 1 10 10 DT H6 H . . . 1 1 9 9 DG H2'' H . . . . . . . 2.90 . . . . . A . 10 DT H6 . . A . 9 DG H2'' . . . 10 DT H6 . . . . . 9 DG H2'2 . . c17790_2lg2 1 124 1 . . 1 1 10 10 DT H6 H . . . 1 1 10 10 DT H1' H . . . . . . . 2.99 . . . . . A . 10 DT H6 . . A . 10 DT H1' . . . 10 DT H6 . . . . . 10 DT H1' . . c17790_2lg2 1 125 1 . . 1 1 9 9 DG H1' H . . . 1 1 10 10 DT M7 H . . . . . . . 4.15 . . . . . A . 9 DG H1' . . A . 10 DT M7 . . . 9 DG H1' . . . . . 10 DT M7 . . c17790_2lg2 1 126 1 . . 1 1 9 9 DG H8 H . . . 1 1 10 10 DT M7 H . . . . . . . 2.50 . . . . . A . 9 DG H8 . . A . 10 DT M7 . . . 9 DG H8 . . . . . 10 DT M7 . . c17790_2lg2 1 127 1 . . 1 1 10 10 DT M7 H . . . 1 1 9 9 DG H3' H . . . . . . . 2.49 . . . . . A . 10 DT M7 . . A . 9 DG H3' . . . 10 DT M7 . . . . . 9 DG H3' . . c17790_2lg2 1 128 1 . . 1 1 9 9 DG H2' H . . . 1 1 10 10 DT M7 H . . . . . . . 3.09 . . . . . A . 9 DG H2' . . A . 10 DT M7 . . . 9 DG H2'1 . . . . . 10 DT M7 . . c17790_2lg2 1 129 1 . . 1 1 10 10 DT H6 H . . . 1 1 10 10 DT M7 H . . . . . . . 2.45 . . . . . A . 10 DT H6 . . A . 10 DT M7 . . . 10 DT H6 . . . . . 10 DT M7 . . c17790_2lg2 1 130 1 . . 1 1 10 10 DT H6 H . . . 1 1 10 10 DT H3' H . . . . . . . 3.14 . . . . . A . 10 DT H6 . . A . 10 DT H3' . . . 10 DT H6 . . . . . 10 DT H3' . . c17790_2lg2 1 131 1 . . 1 1 10 10 DT H6 H . . . 1 1 10 10 DT H2' H . . . . . . . 2.09 . . . . . A . 10 DT H6 . . A . 10 DT H2' . . . 10 DT H6 . . . . . 10 DT H2'1 . . c17790_2lg2 1 132 1 . . 1 1 10 10 DT H2' H . . . 1 1 11 11 DC H6 H . . . . . . . 1.78 . . . . . A . 10 DT H2' . . A . 11 DC H6 . . . 10 DT H2'1 . . . . . 11 DC H6 . . c17790_2lg2 1 133 1 . . 1 1 10 10 DT H6 H . . . 1 1 11 11 DC H5 H . . . . . . . 3.33 . . . . . A . 10 DT H6 . . A . 11 DC H5 . . . 10 DT H6 . . . . . 11 DC H5 . . c17790_2lg2 1 134 1 . . 1 1 10 10 DT M7 H . . . 1 1 11 11 DC H5 H . . . . . . . 3.34 . . . . . A . 10 DT M7 . . A . 11 DC H5 . . . 10 DT M7 . . . . . 11 DC H5 . . c17790_2lg2 1 135 1 . . 1 1 10 10 DT H2' H . . . 1 1 11 11 DC H5 H . . . . . . . 2.19 . . . . . A . 10 DT H2' . . A . 11 DC H5 . . . 10 DT H2'1 . . . . . 11 DC H5 . . c17790_2lg2 1 136 1 . . 1 1 11 11 DC H5 H . . . 1 1 10 10 DT H2'' H . . . . . . . 2.65 . . . . . A . 11 DC H5 . . A . 10 DT H2'' . . . 11 DC H5 . . . . . 10 DT H2'2 . . c17790_2lg2 1 137 1 . . 1 1 11 11 DC H2' H . . . 1 1 11 11 DC H5 H . . . . . . . 3.50 . . . . . A . 11 DC H2' . . A . 11 DC H5 . . . 11 DC H2'1 . . . . . 11 DC H5 . . c17790_2lg2 1 138 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H1' H . . . . . . . 2.78 . . . . . B . 14 DG H8 . . B . 14 DG H1' . . . 14 DG H8 . . . . . 14 DG H1' . . c17790_2lg2 1 139 1 . . 2 2 2 2 DG H1' H . . . 2 2 2 2 DG H3' H . . . . . . . 2.83 . . . . . B . 14 DG H1' . . B . 14 DG H3' . . . 14 DG H1' . . . . . 14 DG H3' . . c17790_2lg2 1 140 1 . . 2 2 2 2 DG H2' H . . . 2 2 2 2 DG H1' H . . . . . . . 2.57 . . . . . B . 14 DG H2' . . B . 14 DG H1' . . . 14 DG H2'1 . . . . . 14 DG H1' . . c17790_2lg2 1 141 1 . . 2 2 2 2 DG H2'' H . . . 2 2 2 2 DG H1' H . . . . . . . 1.89 . . . . . B . 14 DG H2'' . . B . 14 DG H1' . . . 14 DG H2'2 . . . . . 14 DG H1' . . c17790_2lg2 1 142 1 . . 2 2 3 3 DA H2 H . . . 2 2 4 4 DC H1' H . . . . . . . 3.63 . . . . . B . 15 DA H2 . . B . 16 DC H1' . . . 15 DA H2 . . . . . 16 DC H1' . . c17790_2lg2 1 143 1 . . 2 2 3 3 DA H1' H . . . 2 2 4 4 DC H6 H . . . . . . . 2.94 . . . . . B . 15 DA H1' . . B . 16 DC H6 . . . 15 DA H1' . . . . . 16 DC H6 . . c17790_2lg2 1 144 1 . . 2 2 3 3 DA H2' H . . . 2 2 4 4 DC H6 H . . . . . . . 2.91 . . . . . B . 15 DA H2' . . B . 16 DC H6 . . . 15 DA H2'1 . . . . . 16 DC H6 . . c17790_2lg2 1 145 1 . . 2 2 3 3 DA H2'' H . . . 2 2 4 4 DC H6 H . . . . . . . 2.44 . . . . . B . 15 DA H2'' . . B . 16 DC H6 . . . 15 DA H2'2 . . . . . 16 DC H6 . . c17790_2lg2 1 146 1 . . 2 2 3 3 DA H1' H . . . 2 2 4 4 DC H5 H . . . . . . . 3.89 . . . . . B . 15 DA H1' . . B . 16 DC H5 . . . 15 DA H1' . . . . . 16 DC H5 . . c17790_2lg2 1 147 1 . . 2 2 3 3 DA H2' H . . . 2 2 4 4 DC H5 H . . . . . . . 2.77 . . . . . B . 15 DA H2' . . B . 16 DC H5 . . . 15 DA H2'1 . . . . . 16 DC H5 . . c17790_2lg2 1 148 1 . . 2 2 3 3 DA H2'' H . . . 2 2 4 4 DC H5 H . . . . . . . 2.58 . . . . . B . 15 DA H2'' . . B . 16 DC H5 . . . 15 DA H2'2 . . . . . 16 DC H5 . . c17790_2lg2 1 149 1 . . 2 2 4 4 DC H1' H . . . 2 2 4 4 DC H2' H . . . . . . . 2.71 . . . . . B . 16 DC H1' . . B . 16 DC H2' . . . 16 DC H1' . . . . . 16 DC H2'1 . . c17790_2lg2 1 150 1 . . 2 2 4 4 DC H6 H . . . 2 2 4 4 DC H2' H . . . . . . . 2.56 . . . . . B . 16 DC H6 . . B . 16 DC H2' . . . 16 DC H6 . . . . . 16 DC H2'1 . . c17790_2lg2 1 151 1 . . 2 2 4 4 DC H1' H . . . 2 2 5 5 DT H6 H . . . . . . . 3.51 . . . . . B . 16 DC H1' . . B . 17 DT H6 . . . 16 DC H1' . . . . . 17 DT H6 . . c17790_2lg2 1 152 1 . . 2 2 5 5 DT H6 H . . . 2 2 4 4 DC H2'' H . . . . . . . 2.08 . . . . . B . 17 DT H6 . . B . 16 DC H2'' . . . 17 DT H6 . . . . . 16 DC H2'2 . . c17790_2lg2 1 153 1 . . 2 2 4 4 DC H1' H . . . 2 2 5 5 DT M7 H . . . . . . . 3.41 . . . . . B . 16 DC H1' . . B . 17 DT M7 . . . 16 DC H1' . . . . . 17 DT M7 . . c17790_2lg2 1 154 1 . . 2 2 4 4 DC H6 H . . . 2 2 5 5 DT M7 H . . . . . . . 3.00 . . . . . B . 16 DC H6 . . B . 17 DT M7 . . . 16 DC H6 . . . . . 17 DT M7 . . c17790_2lg2 1 155 1 . . 2 2 4 4 DC H5 H . . . 2 2 5 5 DT M7 H . . . . . . . 3.58 . . . . . B . 16 DC H5 . . B . 17 DT M7 . . . 16 DC H5 . . . . . 17 DT M7 . . c17790_2lg2 1 156 1 . . 2 2 4 4 DC H2'' H . . . 2 2 5 5 DT M7 H . . . . . . . 3.09 . . . . . B . 16 DC H2'' . . B . 17 DT M7 . . . 16 DC H2'2 . . . . . 17 DT M7 . . c17790_2lg2 1 157 1 . . 2 2 5 5 DT H6 H . . . 2 2 5 5 DT M7 H . . . . . . . 2.50 . . . . . B . 17 DT H6 . . B . 17 DT M7 . . . 17 DT H6 . . . . . 17 DT M7 . . c17790_2lg2 1 158 1 . . 2 2 5 5 DT H2' H . . . 2 2 5 5 DT H1' H . . . . . . . 2.36 . . . . . B . 17 DT H2' . . B . 17 DT H1' . . . 17 DT H2'1 . . . . . 17 DT H1' . . c17790_2lg2 1 159 1 . . 2 2 5 5 DT M7 H . . . 2 2 5 5 DT H2' H . . . . . . . 3.50 . . . . . B . 17 DT M7 . . B . 17 DT H2' . . . 17 DT M7 . . . . . 17 DT H2'1 . . c17790_2lg2 1 160 1 . . 2 2 5 5 DT H2' H . . . 2 2 5 5 DT H3' H . . . . . . . 2.09 . . . . . B . 17 DT H2' . . B . 17 DT H3' . . . 17 DT H2'1 . . . . . 17 DT H3' . . c17790_2lg2 1 161 1 . . 2 2 5 5 DT H1' H . . . 2 2 5 5 DT H2'' H . . . . . . . 2.30 . . . . . B . 17 DT H1' . . B . 17 DT H2'' . . . 17 DT H1' . . . . . 17 DT H2'2 . . c17790_2lg2 1 162 1 . . 1 1 8 8 DA H2 H . . . 2 2 6 6 DT H1' H . . . . . . . 3.37 . . . . . A . 8 DA H2 . . B . 18 DT H1' . . . 8 DA H2 . . . . . 18 DT H1' . . c17790_2lg2 1 163 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H3' H . . . . . . . 3.40 . . . . . B . 18 DT H1' . . B . 18 DT H3' . . . 18 DT H1' . . . . . 18 DT H3' . . c17790_2lg2 1 164 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H2' H . . . . . . . 2.37 . . . . . B . 18 DT H1' . . B . 18 DT H2' . . . 18 DT H1' . . . . . 18 DT H2'1 . . c17790_2lg2 1 165 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H2'' H . . . . . . . 2.14 . . . . . B . 18 DT H1' . . B . 18 DT H2'' . . . 18 DT H1' . . . . . 18 DT H2'2 . . c17790_2lg2 1 166 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H6 H . . . . . . . 2.39 . . . . . B . 18 DT H1' . . B . 18 DT H6 . . . 18 DT H1' . . . . . 18 DT H6 . . c17790_2lg2 1 167 1 . . 2 2 6 6 DT H2'' H . . . 2 2 6 6 DT H6 H . . . . . . . 2.84 . . . . . B . 18 DT H2'' . . B . 18 DT H6 . . . 18 DT H2'2 . . . . . 18 DT H6 . . c17790_2lg2 1 168 1 . . 2 2 5 5 DT H1' H . . . 2 2 6 6 DT M7 H . . . . . . . 4.80 . . . . . B . 17 DT H1' . . B . 18 DT M7 . . . 17 DT H1' . . . . . 18 DT M7 . . c17790_2lg2 1 169 1 . . 2 2 5 5 DT H3' H . . . 2 2 6 6 DT M7 H . . . . . . . 3.97 . . . . . B . 17 DT H3' . . B . 18 DT M7 . . . 17 DT H3' . . . . . 18 DT M7 . . c17790_2lg2 1 170 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT M7 H . . . . . . . 2.51 . . . . . B . 18 DT H6 . . B . 18 DT M7 . . . 18 DT H6 . . . . . 18 DT M7 . . c17790_2lg2 1 171 1 . . 2 2 6 6 DT H1' H . . . 2 2 7 7 DG H8 H . . . . . . . 4.37 . . . . . B . 18 DT H1' . . B . 19 DG H8 . . . 18 DT H1' . . . . . 19 DG H8 . . c17790_2lg2 1 172 1 . . 2 2 6 6 DT H3' H . . . 2 2 7 7 DG H8 H . . . . . . . 3.85 . . . . . B . 18 DT H3' . . B . 19 DG H8 . . . 18 DT H3' . . . . . 19 DG H8 . . c17790_2lg2 1 173 1 . . 2 2 6 6 DT H2' H . . . 2 2 7 7 DG H8 H . . . . . . . 2.82 . . . . . B . 18 DT H2' . . B . 19 DG H8 . . . 18 DT H2'1 . . . . . 19 DG H8 . . c17790_2lg2 1 174 1 . . 2 2 6 6 DT H2'' H . . . 2 2 7 7 DG H8 H . . . . . . . 2.77 . . . . . B . 18 DT H2'' . . B . 19 DG H8 . . . 18 DT H2'2 . . . . . 19 DG H8 . . c17790_2lg2 1 175 1 . . 2 2 6 6 DT H6 H . . . 2 2 7 7 DG H8 H . . . . . . . 3.84 . . . . . B . 18 DT H6 . . B . 19 DG H8 . . . 18 DT H6 . . . . . 19 DG H8 . . c17790_2lg2 1 176 1 . . 2 2 7 7 DG H8 H . . . 2 2 7 7 DG H1' H . . . . . . . 3.26 . . . . . B . 19 DG H8 . . B . 19 DG H1' . . . 19 DG H8 . . . . . 19 DG H1' . . c17790_2lg2 1 177 1 . . 2 2 7 7 DG H1' H . . . 2 2 7 7 DG H3' H . . . . . . . 3.00 . . . . . B . 19 DG H1' . . B . 19 DG H3' . . . 19 DG H1' . . . . . 19 DG H3' . . c17790_2lg2 1 178 1 . . 2 2 7 7 DG H8 H . . . 2 2 7 7 DG H3' H . . . . . . . 3.47 . . . . . B . 19 DG H8 . . B . 19 DG H3' . . . 19 DG H8 . . . . . 19 DG H3' . . c17790_2lg2 1 179 1 . . 2 2 7 7 DG H8 H . . . 2 2 7 7 DG H2' H . . . . . . . 2.00 . . . . . B . 19 DG H8 . . B . 19 DG H2' . . . 19 DG H8 . . . . . 19 DG H2'1 . . c17790_2lg2 1 180 1 . . 2 2 7 7 DG H3' H . . . 2 2 7 7 DG H2' H . . . . . . . 2.00 . . . . . B . 19 DG H3' . . B . 19 DG H2' . . . 19 DG H3' . . . . . 19 DG H2'1 . . c17790_2lg2 1 181 1 . . 2 2 7 7 DG H1' H . . . 2 2 7 7 DG H2'' H . . . . . . . 2.26 . . . . . B . 19 DG H1' . . B . 19 DG H2'' . . . 19 DG H1' . . . . . 19 DG H2'2 . . c17790_2lg2 1 182 1 . . 2 2 7 7 DG H8 H . . . 2 2 7 7 DG H2'' H . . . . . . . 2.50 . . . . . B . 19 DG H8 . . B . 19 DG H2'' . . . 19 DG H8 . . . . . 19 DG H2'2 . . c17790_2lg2 1 183 1 . . 2 2 7 7 DG H3' H . . . 2 2 7 7 DG H2'' H . . . . . . . 2.86 . . . . . B . 19 DG H3' . . B . 19 DG H2'' . . . 19 DG H3' . . . . . 19 DG H2'2 . . c17790_2lg2 1 184 1 . . 2 2 7 7 DG H8 H . . . 2 2 8 8 DC H6 H . . . . . . . 4.10 . . . . . B . 19 DG H8 . . B . 20 DC H6 . . . 19 DG H8 . . . . . 20 DC H6 . . c17790_2lg2 1 185 1 . . 2 2 7 7 DG H3' H . . . 2 2 8 8 DC H6 H . . . . . . . 4.00 . . . . . B . 19 DG H3' . . B . 20 DC H6 . . . 19 DG H3' . . . . . 20 DC H6 . . c17790_2lg2 1 186 1 . . 2 2 7 7 DG H2' H . . . 2 2 8 8 DC H6 H . . . . . . . 2.50 . . . . . B . 19 DG H2' . . B . 20 DC H6 . . . 19 DG H2'1 . . . . . 20 DC H6 . . c17790_2lg2 1 187 1 . . 2 2 7 7 DG H1' H . . . 2 2 8 8 DC H5 H . . . . . . . 3.79 . . . . . B . 19 DG H1' . . B . 20 DC H5 . . . 19 DG H1' . . . . . 20 DC H5 . . c17790_2lg2 1 188 1 . . 2 2 7 7 DG H8 H . . . 2 2 8 8 DC H5 H . . . . . . . 3.52 . . . . . B . 19 DG H8 . . B . 20 DC H5 . . . 19 DG H8 . . . . . 20 DC H5 . . c17790_2lg2 1 189 1 . . 2 2 7 7 DG H2' H . . . 2 2 8 8 DC H5 H . . . . . . . 3.88 . . . . . B . 19 DG H2' . . B . 20 DC H5 . . . 19 DG H2'1 . . . . . 20 DC H5 . . c17790_2lg2 1 190 1 . . 2 2 7 7 DG H2'' H . . . 2 2 8 8 DC H5 H . . . . . . . 3.72 . . . . . B . 19 DG H2'' . . B . 20 DC H5 . . . 19 DG H2'2 . . . . . 20 DC H5 . . c17790_2lg2 1 191 1 . . 2 2 8 8 DC H3' H . . . 2 2 8 8 DC H1' H . . . . . . . 3.84 . . . . . B . 20 DC H3' . . B . 20 DC H1' . . . 20 DC H3' . . . . . 20 DC H1' . . c17790_2lg2 1 192 1 . . 2 2 8 8 DC H6 H . . . 2 2 8 8 DC H3' H . . . . . . . 3.19 . . . . . B . 20 DC H6 . . B . 20 DC H3' . . . 20 DC H6 . . . . . 20 DC H3' . . c17790_2lg2 1 193 1 . . 2 2 8 8 DC H1' H . . . 2 2 8 8 DC H2' H . . . . . . . 2.25 . . . . . B . 20 DC H1' . . B . 20 DC H2' . . . 20 DC H1' . . . . . 20 DC H2'1 . . c17790_2lg2 1 194 1 . . 2 2 8 8 DC H6 H . . . 2 2 8 8 DC H2' H . . . . . . . 2.61 . . . . . B . 20 DC H6 . . B . 20 DC H2' . . . 20 DC H6 . . . . . 20 DC H2'1 . . c17790_2lg2 1 195 1 . . 2 2 8 8 DC H5 H . . . 2 2 8 8 DC H2' H . . . . . . . 3.67 . . . . . B . 20 DC H5 . . B . 20 DC H2' . . . 20 DC H5 . . . . . 20 DC H2'1 . . c17790_2lg2 1 196 1 . . 2 2 8 8 DC H3' H . . . 2 2 8 8 DC H2' H . . . . . . . 2.00 . . . . . B . 20 DC H3' . . B . 20 DC H2' . . . 20 DC H3' . . . . . 20 DC H2'1 . . c17790_2lg2 1 197 1 . . 2 2 8 8 DC H1' H . . . 2 2 9 9 DT H1' H . . . . . . . 3.89 . . . . . B . 20 DC H1' . . B . 21 DT H1' . . . 20 DC H1' . . . . . 21 DT H1' . . c17790_2lg2 1 198 1 . . 2 2 8 8 DC H3' H . . . 2 2 9 9 DT H6 H . . . . . . . 3.69 . . . . . B . 20 DC H3' . . B . 21 DT H6 . . . 20 DC H3' . . . . . 21 DT H6 . . c17790_2lg2 1 199 1 . . 2 2 9 9 DT H1' H . . . 2 2 9 9 DT H6 H . . . . . . . 3.11 . . . . . B . 21 DT H1' . . B . 21 DT H6 . . . 21 DT H1' . . . . . 21 DT H6 . . c17790_2lg2 1 200 1 . . 2 2 8 8 DC H1' H . . . 2 2 9 9 DT M7 H . . . . . . . 3.85 . . . . . B . 20 DC H1' . . B . 21 DT M7 . . . 20 DC H1' . . . . . 21 DT M7 . . c17790_2lg2 1 201 1 . . 2 2 8 8 DC H6 H . . . 2 2 9 9 DT M7 H . . . . . . . 2.75 . . . . . B . 20 DC H6 . . B . 21 DT M7 . . . 20 DC H6 . . . . . 21 DT M7 . . c17790_2lg2 1 202 1 . . 2 2 8 8 DC H5 H . . . 2 2 9 9 DT M7 H . . . . . . . 3.95 . . . . . B . 20 DC H5 . . B . 21 DT M7 . . . 20 DC H5 . . . . . 21 DT M7 . . c17790_2lg2 1 203 1 . . 2 2 8 8 DC H2' H . . . 2 2 9 9 DT M7 H . . . . . . . 2.31 . . . . . B . 20 DC H2' . . B . 21 DT M7 . . . 20 DC H2'1 . . . . . 21 DT M7 . . c17790_2lg2 1 204 1 . . 2 2 9 9 DT H3' H . . . 2 2 9 9 DT H1' H . . . . . . . 3.43 . . . . . B . 21 DT H3' . . B . 21 DT H1' . . . 21 DT H3' . . . . . 21 DT H1' . . c17790_2lg2 1 205 1 . . 2 2 9 9 DT H2' H . . . 2 2 9 9 DT H1' H . . . . . . . 2.83 . . . . . B . 21 DT H2' . . B . 21 DT H1' . . . 21 DT H2'1 . . . . . 21 DT H1' . . c17790_2lg2 1 206 1 . . 2 2 9 9 DT H2'' H . . . 2 2 9 9 DT H1' H . . . . . . . 2.28 . . . . . B . 21 DT H2'' . . B . 21 DT H1' . . . 21 DT H2'2 . . . . . 21 DT H1' . . c17790_2lg2 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 207 1 "Not handling restraint 207, item 1, resonance(s) ' .25.H4' (nmrStar names) not linked" c17790_2lg2 1 2 2 208 1 "Not handling restraint 208, item 1, resonance(s) ' .25.H1' (nmrStar names) not linked" c17790_2lg2 1 3 2 209 1 "Not handling restraint 209, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.H1' (nmrStar names) not linked" c17790_2lg2 1 4 2 210 1 "Not handling restraint 210, item 1, resonance(s) ' .25.H21' (nmrStar names) not linked" c17790_2lg2 1 5 2 211 1 "Not handling restraint 211, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.H21' (nmrStar names) not linked" c17790_2lg2 1 6 2 212 1 "Not handling restraint 212, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.H22' (nmrStar names) not linked" c17790_2lg2 1 7 2 213 1 "Not handling restraint 213, item 1, resonance(s) ' .25.H51' (nmrStar names) not linked" c17790_2lg2 1 8 2 214 1 "Not handling restraint 214, item 1, resonance(s) ' .25.H51' (nmrStar names) not linked" c17790_2lg2 1 9 2 215 1 "Not handling restraint 215, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.H51' (nmrStar names) not linked" c17790_2lg2 1 10 2 216 1 "Not handling restraint 216, item 1, resonance(s) ' .25.H1' (nmrStar names),' .25.H51' (nmrStar names) not linked" c17790_2lg2 1 11 2 217 1 "Not handling restraint 217, item 1, resonance(s) ' .25.H52' (nmrStar names) not linked" c17790_2lg2 1 12 2 218 1 "Not handling restraint 218, item 1, resonance(s) ' .25.H52' (nmrStar names) not linked" c17790_2lg2 1 13 2 219 1 "Not handling restraint 219, item 1, resonance(s) ' .25.H52' (nmrStar names) not linked" c17790_2lg2 1 14 2 220 1 "Not handling restraint 220, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.H52' (nmrStar names) not linked" c17790_2lg2 1 15 2 221 1 "Not handling restraint 221, item 1, resonance(s) ' .25.H1' (nmrStar names),' .25.H52' (nmrStar names) not linked" c17790_2lg2 1 16 2 222 1 "Not handling restraint 222, item 1, resonance(s) ' .25.Q6' (nmrStar names) not linked" c17790_2lg2 1 17 2 223 1 "Not handling restraint 223, item 1, resonance(s) ' .25.Q6' (nmrStar names) not linked" c17790_2lg2 1 18 2 224 1 "Not handling restraint 224, item 1, resonance(s) ' .25.Q6' (nmrStar names) not linked" c17790_2lg2 1 19 2 225 1 "Not handling restraint 225, item 1, resonance(s) ' .25.Q6' (nmrStar names) not linked" c17790_2lg2 1 20 2 226 1 "Not handling restraint 226, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.Q6' (nmrStar names) not linked" c17790_2lg2 1 21 2 227 1 "Not handling restraint 227, item 1, resonance(s) ' .25.H1' (nmrStar names),' .25.Q6' (nmrStar names) not linked" c17790_2lg2 1 22 2 228 1 "Not handling restraint 228, item 1, resonance(s) ' .25.Q7' (nmrStar names) not linked" c17790_2lg2 1 23 2 229 1 "Not handling restraint 229, item 1, resonance(s) ' .25.Q7' (nmrStar names) not linked" c17790_2lg2 1 24 2 230 1 "Not handling restraint 230, item 1, resonance(s) ' .25.Q7' (nmrStar names) not linked" c17790_2lg2 1 25 2 231 1 "Not handling restraint 231, item 1, resonance(s) ' .25.Q7' (nmrStar names) not linked" c17790_2lg2 1 26 2 232 1 "Not handling restraint 232, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.Q7' (nmrStar names) not linked" c17790_2lg2 1 27 2 233 1 "Not handling restraint 233, item 1, resonance(s) ' .25.Q8' (nmrStar names) not linked" c17790_2lg2 1 28 2 234 1 "Not handling restraint 234, item 1, resonance(s) ' .25.Q8' (nmrStar names) not linked" c17790_2lg2 1 29 2 235 1 "Not handling restraint 235, item 1, resonance(s) ' .25.Q8' (nmrStar names) not linked" c17790_2lg2 1 30 2 236 1 "Not handling restraint 236, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.Q8' (nmrStar names) not linked" c17790_2lg2 1 31 2 237 1 "Not handling restraint 237, item 1, resonance(s) ' .25.M9' (nmrStar names) not linked" c17790_2lg2 1 32 2 238 1 "Not handling restraint 238, item 1, resonance(s) ' .25.M9' (nmrStar names) not linked" c17790_2lg2 1 33 2 239 1 "Not handling restraint 239, item 1, resonance(s) ' .25.M9' (nmrStar names) not linked" c17790_2lg2 1 34 2 240 1 "Not handling restraint 240, item 1, resonance(s) ' .25.H4' (nmrStar names),' .25.M9' (nmrStar names) not linked" c17790_2lg2 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 c17790_2lg2 _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 2LG2 *TITLE STRUCTURE OF THE DUPLEX CONTAINING HNE DERIVED (6S,8R,11S) N2-DG *TITLE 2 CYCLIC HEMIACETAL 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, N2-DG CYCLIC HEMIACETAL, 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 2LG2 0" save_