data_11608 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11608 _Entry.Title ; SOLUTION STRUCTURE OF DNA CONTAINING METALLO-BASE-PAIR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-22 _Entry.Accession_date 2016-04-06 _Entry.Last_release_date 2016-08-22 _Entry.Original_release_date 2016-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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.ORCID _Entry_author.Entry_ID 1 Takenori Dairaku . . . . 11608 2 Kyoko Furuita . . . . 11608 3 Hajime Sato . . . . 11608 4 Jakub Sebera . . . . 11608 5 Katsuyuki Nakashima . . . . 11608 6 Jiro Kondo . . . . 11608 7 Daichi Yamanaka . . . . 11608 8 Yoshinori Kondo . . . . 11608 9 Itaru Okamoto . . . . 11608 10 Akira Ono . . . . 11608 11 Vladimir Sychrovsky . . . . 11608 12 Chojiro Kojima . . . . 11608 13 Yoshiyuki Tanaka . . . . 11608 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' . 11608 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-Ag(I)-C BASE-PAIR' . 11608 DNA . 11608 METALLO-BASE-PAIR . 11608 METALLO-DNA . 11608 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11608 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 244 11608 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 . . 2016-08-22 . original BMRB . 11608 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RVP 'BMRB Entry Tracking System' 11608 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11608 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27505707 _Citation.Full_citation . _Citation.Title ; Structure Determination of an AgI-Mediated Cytosine-Cytosine Base Pair within DNA Duplex in Solution with 1H/15N/109Ag NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Eur. J.' _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 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takenori Dairaku . . . . 11608 1 2 Kyoko Furuita . . . . 11608 1 3 Hajime Sato . . . . 11608 1 4 Jakub Sebera . . . . 11608 1 5 Katsuyuki Nakashima . . . . 11608 1 6 Jiro Kondo . . . . 11608 1 7 Daichi Yamanaka . . . . 11608 1 8 Yoshinori Kondo . . . . 11608 1 9 Itaru Okamoto . . . . 11608 1 10 Akira Ono . . . . 11608 1 11 Vladimir Sychrovsky . . . . 11608 1 12 Chojiro Kojima . . . . 11608 1 13 Yoshiyuki Tanaka . . . . 11608 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11608 _Assembly.ID 1 _Assembly.Name 'DNA CONTAINING METALLO-BASE-PAIR' _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(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3')" 1 $DNA_(5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') A . yes native no no . . . 11608 1 2 "DNA (5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3')" 2 $DNA_(5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') B . yes native no no . . . 11608 1 3 'SILVER ION' 3 $entity_AG C . no native no no . . . 11608 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 "DNA (5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3')" 1 DC 8 8 N3 . 3 'SILVER ION' 3 AG 1 1 AG . . 8 DC . . . 1 AG . 11608 1 2 'metal coordination' single . 2 "DNA (5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3')" 2 DC 8 8 N3 . 3 'SILVER ION' 3 AG 1 1 AG . . 23 DC . . . 1 AG . 11608 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_(5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') _Entity.Sf_category entity _Entity.Sf_framecode DNA_(5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') _Entity.Entry_ID 11608 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAATATACTTAATTA ; _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 15 _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 4566.059 _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 1 DT . 11608 1 2 2 DA . 11608 1 3 3 DA . 11608 1 4 4 DT . 11608 1 5 5 DA . 11608 1 6 6 DT . 11608 1 7 7 DA . 11608 1 8 8 DC . 11608 1 9 9 DT . 11608 1 10 10 DT . 11608 1 11 11 DA . 11608 1 12 12 DA . 11608 1 13 13 DT . 11608 1 14 14 DT . 11608 1 15 15 DA . 11608 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 . DT 1 1 11608 1 . DA 2 2 11608 1 . DA 3 3 11608 1 . DT 4 4 11608 1 . DA 5 5 11608 1 . DT 6 6 11608 1 . DA 7 7 11608 1 . DC 8 8 11608 1 . DT 9 9 11608 1 . DT 10 10 11608 1 . DA 11 11 11608 1 . DA 12 12 11608 1 . DT 13 13 11608 1 . DT 14 14 11608 1 . DA 15 15 11608 1 stop_ save_ save_DNA_(5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') _Entity.Sf_category entity _Entity.Sf_framecode DNA_(5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') _Entity.Entry_ID 11608 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 2 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAATTAACTATATTA ; _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 15 _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 4566.059 _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 16 DT . 11608 2 2 17 DA . 11608 2 3 18 DA . 11608 2 4 19 DT . 11608 2 5 20 DT . 11608 2 6 21 DA . 11608 2 7 22 DA . 11608 2 8 23 DC . 11608 2 9 24 DT . 11608 2 10 25 DA . 11608 2 11 26 DT . 11608 2 12 27 DA . 11608 2 13 28 DT . 11608 2 14 29 DT . 11608 2 15 30 DA . 11608 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 . DT 1 1 11608 2 . DA 2 2 11608 2 . DA 3 3 11608 2 . DT 4 4 11608 2 . DT 5 5 11608 2 . DA 6 6 11608 2 . DA 7 7 11608 2 . DC 8 8 11608 2 . DT 9 9 11608 2 . DA 10 10 11608 2 . DT 11 11 11608 2 . DA 12 12 11608 2 . DT 13 13 11608 2 . DT 14 14 11608 2 . DA 15 15 11608 2 stop_ save_ save_entity_AG _Entity.Sf_category entity _Entity.Sf_framecode entity_AG _Entity.Entry_ID 11608 _Entity.ID 3 _Entity.BMRB_code AG _Entity.Name 'SILVER ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID AG _Entity.Nonpolymer_comp_label $chem_comp_AG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 107.868 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SILVER ION' BMRB 11608 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'SILVER ION' BMRB 11608 3 AG 'Three letter code' 11608 3 stop_ 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 1 AG $chem_comp_AG 11608 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 11608 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DNA_(5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 11608 1 2 2 $DNA_(5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 11608 1 3 3 $entity_AG . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 11608 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 11608 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DNA_(5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . 11608 1 2 2 $DNA_(5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . 11608 1 3 3 $entity_AG . 'obtained from a vendor' . . . . . . . . . . . . . . . . 11608 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AG _Chem_comp.Entry_ID 11608 _Chem_comp.ID AG _Chem_comp.Provenance PDB _Chem_comp.Name 'SILVER ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code AG _Chem_comp.PDB_code AG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ag/q+1 _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ag _Chem_comp.Formula_weight 107.868 _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 . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 FOIXSVOLVBLSDH-UHFFFAOYSA-N InChIKey InChI 1.03 11608 AG InChI=1S/Ag/q+1 InChI InChI 1.03 11608 AG [Ag+] SMILES ACDLabs 10.04 11608 AG [Ag+] SMILES CACTVS 3.341 11608 AG [Ag+] SMILES 'OpenEye OEToolkits' 1.5.0 11608 AG [Ag+] SMILES_CANONICAL CACTVS 3.341 11608 AG [Ag+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11608 AG 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 'silver(+1) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11608 AG silver(1+) 'SYSTEMATIC NAME' ACDLabs 10.04 11608 AG 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 AG AG AG AG . AG . . N 1 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11608 AG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11608 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3')" 'natural abundance' . . 1 $DNA_(5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') . DNA 2 . . mM . . . . 11608 1 2 "DNA (5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3')" 'natural abundance' . . 2 $DNA_(5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') . DNA 2 . . mM . . . . 11608 1 3 AgNO3 'natural abundance' . . . . . . 2.1 . . mM . . . . 11608 1 4 NaNO3 'natural abundance' . . . . . salt 100 . . mM . . . . 11608 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11608 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11608 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11608 _Sample.ID 2 _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(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3')" 'natural abundance' . . 1 $DNA_(5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3') . DNA 2 . . mM . . . . 11608 2 2 "DNA (5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3')" 'natural abundance' . . 2 $DNA_(5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3') . DNA 2 . . mM . . . . 11608 2 3 AgNO3 'natural abundance' . . . . . . 2.1 . . mM . . . . 11608 2 4 NaNO3 'natural abundance' . . . . . salt 100 . . mM . . . . 11608 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 11608 2 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 11608 _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 'ionic strength' 0.1 . M 11608 1 pH 6.9 . pH 11608 1 pressure 1 . atm 11608 1 temperature 298 . K 11608 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 11608 _Sample_condition_list.ID 2 _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 'ionic strength' 0.1 . M 11608 2 pH 7.1 . pH 11608 2 pressure 1 . atm 11608 2 temperature 298 . K 11608 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11608 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11608 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11608 1 'peak picking' 11608 1 stop_ save_ save_MARDIGRAS _Software.Sf_category software _Software.Sf_framecode MARDIGRAS _Software.Entry_ID 11608 _Software.ID 2 _Software.Name MARDIGRAS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Thomas L. James' . . 11608 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11608 2 'structure solution' 11608 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11608 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11608 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11608 3 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 11608 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 11608 _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 . 950 . . . 11608 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 11608 _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.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11608 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11608 1 3 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11608 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11608 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11608 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 11608 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 11608 _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' 1 $sample_1 isotropic 11608 1 2 '2D 1H-1H NOESY' 2 $sample_2 isotropic 11608 1 3 '2D DQF-COSY' 2 $sample_2 isotropic 11608 1 4 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11608 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 DT H1' H 1 5.73 0.01 . 1 . . . 1 1 DT H1' . 11608 1 2 . 1 1 1 1 DT H2' H 1 1.61 0.01 . 1 . . . 1 1 DT H2' . 11608 1 3 . 1 1 1 1 DT H2'' H 1 2.11 0.01 . 1 . . . 1 1 DT H2'' . 11608 1 4 . 1 1 1 1 DT H3' H 1 4.59 0.01 . 1 . . . 1 1 DT H3' . 11608 1 5 . 1 1 1 1 DT H6 H 1 7.25 0.01 . 1 . . . 1 1 DT H6 . 11608 1 6 . 1 1 1 1 DT H71 H 1 1.59 0.01 . 2 . . . 1 1 DT H71 . 11608 1 7 . 1 1 1 1 DT H72 H 1 1.59 0.01 . 2 . . . 1 1 DT H72 . 11608 1 8 . 1 1 1 1 DT H73 H 1 1.59 0.01 . 2 . . . 1 1 DT H73 . 11608 1 9 . 1 1 2 2 DA H1' H 1 5.92 0.01 . 1 . . . 1 2 DA H1' . 11608 1 10 . 1 1 2 2 DA H2 H 1 7.40 0.01 . 1 . . . 1 2 DA H2 . 11608 1 11 . 1 1 2 2 DA H2' H 1 2.85 0.01 . 1 . . . 1 2 DA H2' . 11608 1 12 . 1 1 2 2 DA H2'' H 1 2.94 0.01 . 1 . . . 1 2 DA H2'' . 11608 1 13 . 1 1 2 2 DA H3' H 1 5.01 0.01 . 1 . . . 1 2 DA H3' . 11608 1 14 . 1 1 2 2 DA H8 H 1 8.30 0.01 . 1 . . . 1 2 DA H8 . 11608 1 15 . 1 1 3 3 DA H1' H 1 6.20 0.01 . 1 . . . 1 3 DA H1' . 11608 1 16 . 1 1 3 3 DA H2 H 1 7.74 0.01 . 1 . . . 1 3 DA H2 . 11608 1 17 . 1 1 3 3 DA H2' H 1 2.60 0.01 . 1 . . . 1 3 DA H2' . 11608 1 18 . 1 1 3 3 DA H2'' H 1 2.89 0.01 . 1 . . . 1 3 DA H2'' . 11608 1 19 . 1 1 3 3 DA H3' H 1 4.99 0.01 . 1 . . . 1 3 DA H3' . 11608 1 20 . 1 1 3 3 DA H8 H 1 8.19 0.01 . 1 . . . 1 3 DA H8 . 11608 1 21 . 1 1 3 3 DA H61 H 1 7.23 0.01 . 2 . . . 1 3 DA H61 . 11608 1 22 . 1 1 3 3 DA H62 H 1 6.21 0.01 . 2 . . . 1 3 DA H62 . 11608 1 23 . 1 1 4 4 DT H1' H 1 5.67 0.01 . 1 . . . 1 4 DT H1' . 11608 1 24 . 1 1 4 4 DT H2' H 1 2.08 0.01 . 1 . . . 1 4 DT H2' . 11608 1 25 . 1 1 4 4 DT H2'' H 1 2.46 0.01 . 1 . . . 1 4 DT H2'' . 11608 1 26 . 1 1 4 4 DT H3 H 1 13.11 0.01 . 1 . . . 1 4 DT H3 . 11608 1 27 . 1 1 4 4 DT H3' H 1 4.85 0.01 . 1 . . . 1 4 DT H3' . 11608 1 28 . 1 1 4 4 DT H6 H 1 7.12 0.01 . 1 . . . 1 4 DT H6 . 11608 1 29 . 1 1 4 4 DT H71 H 1 1.36 0.01 . 2 . . . 1 4 DT H71 . 11608 1 30 . 1 1 4 4 DT H72 H 1 1.36 0.01 . 2 . . . 1 4 DT H72 . 11608 1 31 . 1 1 4 4 DT H73 H 1 1.36 0.01 . 2 . . . 1 4 DT H73 . 11608 1 32 . 1 1 5 5 DA H1' H 1 6.19 0.01 . 1 . . . 1 5 DA H1' . 11608 1 33 . 1 1 5 5 DA H2 H 1 7.13 0.01 . 1 . . . 1 5 DA H2 . 11608 1 34 . 1 1 5 5 DA H2' H 1 2.56 0.01 . 1 . . . 1 5 DA H2' . 11608 1 35 . 1 1 5 5 DA H2'' H 1 2.88 0.01 . 1 . . . 1 5 DA H2'' . 11608 1 36 . 1 1 5 5 DA H3' H 1 4.96 0.01 . 1 . . . 1 5 DA H3' . 11608 1 37 . 1 1 5 5 DA H8 H 1 8.19 0.01 . 1 . . . 1 5 DA H8 . 11608 1 38 . 1 1 5 5 DA H61 H 1 7.35 0.01 . 2 . . . 1 5 DA H61 . 11608 1 39 . 1 1 5 5 DA H62 H 1 6.21 0.01 . 2 . . . 1 5 DA H62 . 11608 1 40 . 1 1 6 6 DT H1' H 1 5.63 0.01 . 1 . . . 1 6 DT H1' . 11608 1 41 . 1 1 6 6 DT H2' H 1 1.97 0.01 . 1 . . . 1 6 DT H2' . 11608 1 42 . 1 1 6 6 DT H2'' H 1 2.41 0.01 . 1 . . . 1 6 DT H2'' . 11608 1 43 . 1 1 6 6 DT H3 H 1 13.11 0.01 . 1 . . . 1 6 DT H3 . 11608 1 44 . 1 1 6 6 DT H3' H 1 4.84 0.01 . 1 . . . 1 6 DT H3' . 11608 1 45 . 1 1 6 6 DT H6 H 1 7.10 0.01 . 1 . . . 1 6 DT H6 . 11608 1 46 . 1 1 6 6 DT H71 H 1 1.33 0.01 . 2 . . . 1 6 DT H71 . 11608 1 47 . 1 1 6 6 DT H72 H 1 1.33 0.01 . 2 . . . 1 6 DT H72 . 11608 1 48 . 1 1 6 6 DT H73 H 1 1.33 0.01 . 2 . . . 1 6 DT H73 . 11608 1 49 . 1 1 7 7 DA H1' H 1 6.18 0.01 . 1 . . . 1 7 DA H1' . 11608 1 50 . 1 1 7 7 DA H2 H 1 7.25 0.01 . 1 . . . 1 7 DA H2 . 11608 1 51 . 1 1 7 7 DA H2' H 1 2.64 0.01 . 1 . . . 1 7 DA H2' . 11608 1 52 . 1 1 7 7 DA H2'' H 1 2.79 0.01 . 1 . . . 1 7 DA H2'' . 11608 1 53 . 1 1 7 7 DA H3' H 1 4.97 0.01 . 1 . . . 1 7 DA H3' . 11608 1 54 . 1 1 7 7 DA H8 H 1 8.19 0.01 . 1 . . . 1 7 DA H8 . 11608 1 55 . 1 1 7 7 DA H61 H 1 7.30 0.01 . 2 . . . 1 7 DA H61 . 11608 1 56 . 1 1 7 7 DA H62 H 1 6.28 0.01 . 2 . . . 1 7 DA H62 . 11608 1 57 . 1 1 8 8 DC H1' H 1 5.75 0.01 . 1 . . . 1 8 DC H1' . 11608 1 58 . 1 1 8 8 DC H2' H 1 1.74 0.01 . 1 . . . 1 8 DC H2' . 11608 1 59 . 1 1 8 8 DC H2'' H 1 2.43 0.01 . 1 . . . 1 8 DC H2'' . 11608 1 60 . 1 1 8 8 DC H3' H 1 4.73 0.01 . 1 . . . 1 8 DC H3' . 11608 1 61 . 1 1 8 8 DC H5 H 1 5.52 0.01 . 1 . . . 1 8 DC H5 . 11608 1 62 . 1 1 8 8 DC H6 H 1 7.42 0.01 . 1 . . . 1 8 DC H6 . 11608 1 63 . 1 1 8 8 DC H41 H 1 7.50 0.01 . 2 . . . 1 8 DC H41 . 11608 1 64 . 1 1 8 8 DC H42 H 1 7.06 0.01 . 2 . . . 1 8 DC H42 . 11608 1 65 . 1 1 9 9 DT H1' H 1 6.01 0.01 . 1 . . . 1 9 DT H1' . 11608 1 66 . 1 1 9 9 DT H2' H 1 2.22 0.01 . 1 . . . 1 9 DT H2' . 11608 1 67 . 1 1 9 9 DT H2'' H 1 2.47 0.01 . 1 . . . 1 9 DT H2'' . 11608 1 68 . 1 1 9 9 DT H3 H 1 14.11 0.01 . 1 . . . 1 9 DT H3 . 11608 1 69 . 1 1 9 9 DT H3' H 1 4.85 0.01 . 1 . . . 1 9 DT H3' . 11608 1 70 . 1 1 9 9 DT H6 H 1 7.49 0.01 . 1 . . . 1 9 DT H6 . 11608 1 71 . 1 1 9 9 DT H71 H 1 1.55 0.01 . 2 . . . 1 9 DT H71 . 11608 1 72 . 1 1 9 9 DT H72 H 1 1.55 0.01 . 2 . . . 1 9 DT H72 . 11608 1 73 . 1 1 9 9 DT H73 H 1 1.55 0.01 . 2 . . . 1 9 DT H73 . 11608 1 74 . 1 1 10 10 DT H1' H 1 5.69 0.01 . 1 . . . 1 10 DT H1' . 11608 1 75 . 1 1 10 10 DT H2' H 1 2.09 0.01 . 1 . . . 1 10 DT H2' . 11608 1 76 . 1 1 10 10 DT H2'' H 1 2.45 0.01 . 1 . . . 1 10 DT H2'' . 11608 1 77 . 1 1 10 10 DT H3 H 1 13.43 0.01 . 1 . . . 1 10 DT H3 . 11608 1 78 . 1 1 10 10 DT H3' H 1 4.86 0.01 . 1 . . . 1 10 DT H3' . 11608 1 79 . 1 1 10 10 DT H6 H 1 7.34 0.01 . 1 . . . 1 10 DT H6 . 11608 1 80 . 1 1 10 10 DT H71 H 1 1.64 0.01 . 2 . . . 1 10 DT H71 . 11608 1 81 . 1 1 10 10 DT H72 H 1 1.64 0.01 . 2 . . . 1 10 DT H72 . 11608 1 82 . 1 1 10 10 DT H73 H 1 1.64 0.01 . 2 . . . 1 10 DT H73 . 11608 1 83 . 1 1 11 11 DA H1' H 1 5.95 0.01 . 1 . . . 1 11 DA H1' . 11608 1 84 . 1 1 11 11 DA H2 H 1 6.73 0.01 . 1 . . . 1 11 DA H2 . 11608 1 85 . 1 1 11 11 DA H2' H 1 2.74 0.01 . 1 . . . 1 11 DA H2' . 11608 1 86 . 1 1 11 11 DA H2'' H 1 2.91 0.01 . 1 . . . 1 11 DA H2'' . 11608 1 87 . 1 1 11 11 DA H3' H 1 5.05 0.01 . 1 . . . 1 11 DA H3' . 11608 1 88 . 1 1 11 11 DA H8 H 1 8.25 0.01 . 1 . . . 1 11 DA H8 . 11608 1 89 . 1 1 11 11 DA H61 H 1 7.35 0.01 . 2 . . . 1 11 DA H61 . 11608 1 90 . 1 1 11 11 DA H62 H 1 6.20 0.01 . 2 . . . 1 11 DA H62 . 11608 1 91 . 1 1 12 12 DA H1' H 1 6.13 0.01 . 1 . . . 1 12 DA H1' . 11608 1 92 . 1 1 12 12 DA H2 H 1 7.60 0.01 . 1 . . . 1 12 DA H2 . 11608 1 93 . 1 1 12 12 DA H2' H 1 2.55 0.01 . 1 . . . 1 12 DA H2' . 11608 1 94 . 1 1 12 12 DA H2'' H 1 2.85 0.01 . 1 . . . 1 12 DA H2'' . 11608 1 95 . 1 1 12 12 DA H3' H 1 4.97 0.01 . 1 . . . 1 12 DA H3' . 11608 1 96 . 1 1 12 12 DA H8 H 1 8.12 0.01 . 1 . . . 1 12 DA H8 . 11608 1 97 . 1 1 12 12 DA H61 H 1 7.16 0.01 . 2 . . . 1 12 DA H61 . 11608 1 98 . 1 1 12 12 DA H62 H 1 6.12 0.01 . 2 . . . 1 12 DA H62 . 11608 1 99 . 1 1 13 13 DT H1' H 1 5.88 0.01 . 1 . . . 1 13 DT H1' . 11608 1 100 . 1 1 13 13 DT H2' H 1 1.89 0.01 . 1 . . . 1 13 DT H2' . 11608 1 101 . 1 1 13 13 DT H2'' H 1 2.40 0.01 . 1 . . . 1 13 DT H2'' . 11608 1 102 . 1 1 13 13 DT H3 H 1 13.59 0.01 . 1 . . . 1 13 DT H3 . 11608 1 103 . 1 1 13 13 DT H3' H 1 4.81 0.01 . 1 . . . 1 13 DT H3' . 11608 1 104 . 1 1 13 13 DT H6 H 1 7.12 0.01 . 1 . . . 1 13 DT H6 . 11608 1 105 . 1 1 13 13 DT H71 H 1 1.32 0.01 . 2 . . . 1 13 DT H71 . 11608 1 106 . 1 1 13 13 DT H72 H 1 1.32 0.01 . 2 . . . 1 13 DT H72 . 11608 1 107 . 1 1 13 13 DT H73 H 1 1.32 0.01 . 2 . . . 1 13 DT H73 . 11608 1 108 . 1 1 14 14 DT H1' H 1 5.98 0.01 . 1 . . . 1 14 DT H1' . 11608 1 109 . 1 1 14 14 DT H2' H 1 2.01 0.01 . 1 . . . 1 14 DT H2' . 11608 1 110 . 1 1 14 14 DT H2'' H 1 2.31 0.01 . 1 . . . 1 14 DT H2'' . 11608 1 111 . 1 1 14 14 DT H3 H 1 13.53 0.01 . 1 . . . 1 14 DT H3 . 11608 1 112 . 1 1 14 14 DT H3' H 1 4.82 0.01 . 1 . . . 1 14 DT H3' . 11608 1 113 . 1 1 14 14 DT H6 H 1 7.31 0.01 . 1 . . . 1 14 DT H6 . 11608 1 114 . 1 1 14 14 DT H71 H 1 1.63 0.01 . 2 . . . 1 14 DT H71 . 11608 1 115 . 1 1 14 14 DT H72 H 1 1.63 0.01 . 2 . . . 1 14 DT H72 . 11608 1 116 . 1 1 14 14 DT H73 H 1 1.63 0.01 . 2 . . . 1 14 DT H73 . 11608 1 117 . 1 1 15 15 DA H1' H 1 6.33 0.01 . 1 . . . 1 15 DA H1' . 11608 1 118 . 1 1 15 15 DA H2 H 1 7.73 0.01 . 1 . . . 1 15 DA H2 . 11608 1 119 . 1 1 15 15 DA H2' H 1 2.72 0.01 . 1 . . . 1 15 DA H2' . 11608 1 120 . 1 1 15 15 DA H2'' H 1 2.48 0.01 . 1 . . . 1 15 DA H2'' . 11608 1 121 . 1 1 15 15 DA H3' H 1 4.73 0.01 . 1 . . . 1 15 DA H3' . 11608 1 122 . 1 1 15 15 DA H8 H 1 8.28 0.01 . 1 . . . 1 15 DA H8 . 11608 1 123 . 2 2 1 1 DT H1' H 1 5.73 0.01 . 1 . . . . 16 DT H1' . 11608 1 124 . 2 2 1 1 DT H2' H 1 1.63 0.01 . 1 . . . . 16 DT H2' . 11608 1 125 . 2 2 1 1 DT H2'' H 1 2.13 0.01 . 1 . . . . 16 DT H2'' . 11608 1 126 . 2 2 1 1 DT H3' H 1 4.60 0.01 . 1 . . . . 16 DT H3' . 11608 1 127 . 2 2 1 1 DT H6 H 1 7.27 0.01 . 1 . . . . 16 DT H6 . 11608 1 128 . 2 2 1 1 DT H71 H 1 1.61 0.01 . 2 . . . . 16 DT H71 . 11608 1 129 . 2 2 1 1 DT H72 H 1 1.61 0.01 . 2 . . . . 16 DT H72 . 11608 1 130 . 2 2 1 1 DT H73 H 1 1.61 0.01 . 2 . . . . 16 DT H73 . 11608 1 131 . 2 2 2 2 DA H1' H 1 5.92 0.01 . 1 . . . . 17 DA H1' . 11608 1 132 . 2 2 2 2 DA H2 H 1 7.40 0.01 . 1 . . . . 17 DA H2 . 11608 1 133 . 2 2 2 2 DA H2' H 1 2.86 0.01 . 1 . . . . 17 DA H2' . 11608 1 134 . 2 2 2 2 DA H2'' H 1 2.95 0.01 . 1 . . . . 17 DA H2'' . 11608 1 135 . 2 2 2 2 DA H3' H 1 5.01 0.01 . 1 . . . . 17 DA H3' . 11608 1 136 . 2 2 2 2 DA H8 H 1 8.31 0.01 . 1 . . . . 17 DA H8 . 11608 1 137 . 2 2 3 3 DA H1' H 1 6.22 0.01 . 1 . . . . 18 DA H1' . 11608 1 138 . 2 2 3 3 DA H2 H 1 7.77 0.01 . 1 . . . . 18 DA H2 . 11608 1 139 . 2 2 3 3 DA H2' H 1 2.64 0.01 . 1 . . . . 18 DA H2' . 11608 1 140 . 2 2 3 3 DA H2'' H 1 2.90 0.01 . 1 . . . . 18 DA H2'' . 11608 1 141 . 2 2 3 3 DA H3' H 1 5.00 0.01 . 1 . . . . 18 DA H3' . 11608 1 142 . 2 2 3 3 DA H8 H 1 8.22 0.01 . 1 . . . . 18 DA H8 . 11608 1 143 . 2 2 3 3 DA H61 H 1 7.23 0.01 . 2 . . . . 18 DA H61 . 11608 1 144 . 2 2 3 3 DA H62 H 1 6.22 0.01 . 2 . . . . 18 DA H62 . 11608 1 145 . 2 2 4 4 DT H1' H 1 5.88 0.01 . 1 . . . . 19 DT H1' . 11608 1 146 . 2 2 4 4 DT H2' H 1 1.94 0.01 . 1 . . . . 19 DT H2' . 11608 1 147 . 2 2 4 4 DT H2'' H 1 2.46 0.01 . 1 . . . . 19 DT H2'' . 11608 1 148 . 2 2 4 4 DT H3 H 1 13.57 0.01 . 1 . . . . 19 DT H3 . 11608 1 149 . 2 2 4 4 DT H3' H 1 4.85 0.01 . 1 . . . . 19 DT H3' . 11608 1 150 . 2 2 4 4 DT H6 H 1 7.14 0.01 . 1 . . . . 19 DT H6 . 11608 1 151 . 2 2 4 4 DT H71 H 1 1.29 0.01 . 2 . . . . 19 DT H71 . 11608 1 152 . 2 2 4 4 DT H72 H 1 1.29 0.01 . 2 . . . . 19 DT H72 . 11608 1 153 . 2 2 4 4 DT H73 H 1 1.29 0.01 . 2 . . . . 19 DT H73 . 11608 1 154 . 2 2 5 5 DT H1' H 1 5.67 0.01 . 1 . . . . 20 DT H1' . 11608 1 155 . 2 2 5 5 DT H2' H 1 2.01 0.01 . 1 . . . . 20 DT H2' . 11608 1 156 . 2 2 5 5 DT H2'' H 1 2.38 0.01 . 1 . . . . 20 DT H2'' . 11608 1 157 . 2 2 5 5 DT H3 H 1 13.40 0.01 . 1 . . . . 20 DT H3 . 11608 1 158 . 2 2 5 5 DT H3' H 1 4.84 0.01 . 1 . . . . 20 DT H3' . 11608 1 159 . 2 2 5 5 DT H6 H 1 7.30 0.01 . 1 . . . . 20 DT H6 . 11608 1 160 . 2 2 5 5 DT H71 H 1 1.58 0.01 . 2 . . . . 20 DT H71 . 11608 1 161 . 2 2 5 5 DT H72 H 1 1.58 0.01 . 2 . . . . 20 DT H72 . 11608 1 162 . 2 2 5 5 DT H73 H 1 1.58 0.01 . 2 . . . . 20 DT H73 . 11608 1 163 . 2 2 6 6 DA H1' H 1 5.86 0.01 . 1 . . . . 21 DA H1' . 11608 1 164 . 2 2 6 6 DA H2 H 1 6.75 0.01 . 1 . . . . 21 DA H2 . 11608 1 165 . 2 2 6 6 DA H2' H 1 2.65 0.01 . 1 . . . . 21 DA H2' . 11608 1 166 . 2 2 6 6 DA H2'' H 1 2.84 0.01 . 1 . . . . 21 DA H2'' . 11608 1 167 . 2 2 6 6 DA H3' H 1 5.02 0.01 . 1 . . . . 21 DA H3' . 11608 1 168 . 2 2 6 6 DA H8 H 1 8.20 0.01 . 1 . . . . 21 DA H8 . 11608 1 169 . 2 2 6 6 DA H61 H 1 7.35 0.01 . 2 . . . . 21 DA H61 . 11608 1 170 . 2 2 6 6 DA H62 H 1 6.16 0.01 . 2 . . . . 21 DA H62 . 11608 1 171 . 2 2 7 7 DA H1' H 1 6.06 0.01 . 1 . . . . 22 DA H1' . 11608 1 172 . 2 2 7 7 DA H2 H 1 7.65 0.01 . 1 . . . . 22 DA H2 . 11608 1 173 . 2 2 7 7 DA H2' H 1 2.57 0.01 . 1 . . . . 22 DA H2' . 11608 1 174 . 2 2 7 7 DA H2'' H 1 2.72 0.01 . 1 . . . . 22 DA H2'' . 11608 1 175 . 2 2 7 7 DA H3' H 1 4.94 0.01 . 1 . . . . 22 DA H3' . 11608 1 176 . 2 2 7 7 DA H8 H 1 8.07 0.01 . 1 . . . . 22 DA H8 . 11608 1 177 . 2 2 7 7 DA H61 H 1 7.19 0.01 . 2 . . . . 22 DA H61 . 11608 1 178 . 2 2 7 7 DA H62 H 1 6.05 0.01 . 2 . . . . 22 DA H62 . 11608 1 179 . 2 2 8 8 DC H1' H 1 5.63 0.01 . 1 . . . . 23 DC H1' . 11608 1 180 . 2 2 8 8 DC H2' H 1 1.65 0.01 . 1 . . . . 23 DC H2' . 11608 1 181 . 2 2 8 8 DC H2'' H 1 2.34 0.01 . 1 . . . . 23 DC H2'' . 11608 1 182 . 2 2 8 8 DC H3' H 1 4.67 0.01 . 1 . . . . 23 DC H3' . 11608 1 183 . 2 2 8 8 DC H5 H 1 5.41 0.01 . 1 . . . . 23 DC H5 . 11608 1 184 . 2 2 8 8 DC H6 H 1 7.31 0.01 . 1 . . . . 23 DC H6 . 11608 1 185 . 2 2 8 8 DC H41 H 1 7.43 0.01 . 2 . . . . 23 DC H41 . 11608 1 186 . 2 2 8 8 DC H42 H 1 7.04 0.01 . 2 . . . . 23 DC H42 . 11608 1 187 . 2 2 9 9 DT H1' H 1 5.70 0.01 . 1 . . . . 24 DT H1' . 11608 1 188 . 2 2 9 9 DT H2' H 1 2.33 0.01 . 1 . . . . 24 DT H2' . 11608 1 189 . 2 2 9 9 DT H2'' H 1 2.55 0.01 . 1 . . . . 24 DT H2'' . 11608 1 190 . 2 2 9 9 DT H3 H 1 13.66 0.01 . 1 . . . . 24 DT H3 . 11608 1 191 . 2 2 9 9 DT H3' H 1 4.88 0.01 . 1 . . . . 24 DT H3' . 11608 1 192 . 2 2 9 9 DT H6 H 1 7.47 0.01 . 1 . . . . 24 DT H6 . 11608 1 193 . 2 2 9 9 DT H71 H 1 1.57 0.01 . 2 . . . . 24 DT H71 . 11608 1 194 . 2 2 9 9 DT H72 H 1 1.57 0.01 . 2 . . . . 24 DT H72 . 11608 1 195 . 2 2 9 9 DT H73 H 1 1.57 0.01 . 2 . . . . 24 DT H73 . 11608 1 196 . 2 2 10 10 DA H1' H 1 6.22 0.01 . 1 . . . . 25 DA H1' . 11608 1 197 . 2 2 10 10 DA H2 H 1 7.42 0.01 . 1 . . . . 25 DA H2 . 11608 1 198 . 2 2 10 10 DA H2' H 1 2.63 0.01 . 1 . . . . 25 DA H2' . 11608 1 199 . 2 2 10 10 DA H2'' H 1 2.92 0.01 . 1 . . . . 25 DA H2'' . 11608 1 200 . 2 2 10 10 DA H3' H 1 5.00 0.01 . 1 . . . . 25 DA H3' . 11608 1 201 . 2 2 10 10 DA H8 H 1 8.24 0.01 . 1 . . . . 25 DA H8 . 11608 1 202 . 2 2 10 10 DA H61 H 1 7.37 0.01 . 2 . . . . 25 DA H61 . 11608 1 203 . 2 2 10 10 DA H62 H 1 6.29 0.01 . 2 . . . . 25 DA H62 . 11608 1 204 . 2 2 11 11 DT H1' H 1 5.71 0.01 . 1 . . . . 26 DT H1' . 11608 1 205 . 2 2 11 11 DT H2' H 1 2.10 0.01 . 1 . . . . 26 DT H2' . 11608 1 206 . 2 2 11 11 DT H2'' H 1 2.49 0.01 . 1 . . . . 26 DT H2'' . 11608 1 207 . 2 2 11 11 DT H3 H 1 13.16 0.01 . 1 . . . . 26 DT H3 . 11608 1 208 . 2 2 11 11 DT H3' H 1 4.87 0.01 . 1 . . . . 26 DT H3' . 11608 1 209 . 2 2 11 11 DT H6 H 1 7.16 0.01 . 1 . . . . 26 DT H6 . 11608 1 210 . 2 2 11 11 DT H71 H 1 1.37 0.01 . 2 . . . . 26 DT H71 . 11608 1 211 . 2 2 11 11 DT H72 H 1 1.37 0.01 . 2 . . . . 26 DT H72 . 11608 1 212 . 2 2 11 11 DT H73 H 1 1.37 0.01 . 2 . . . . 26 DT H73 . 11608 1 213 . 2 2 12 12 DA H1' H 1 6.22 0.01 . 1 . . . . 27 DA H1' . 11608 1 214 . 2 2 12 12 DA H2 H 1 7.22 0.01 . 1 . . . . 27 DA H2 . 11608 1 215 . 2 2 12 12 DA H2' H 1 2.63 0.01 . 1 . . . . 27 DA H2' . 11608 1 216 . 2 2 12 12 DA H2'' H 1 2.89 0.01 . 1 . . . . 27 DA H2'' . 11608 1 217 . 2 2 12 12 DA H3' H 1 4.98 0.01 . 1 . . . . 27 DA H3' . 11608 1 218 . 2 2 12 12 DA H8 H 1 8.23 0.01 . 1 . . . . 27 DA H8 . 11608 1 219 . 2 2 12 12 DA H61 H 1 7.32 0.01 . 2 . . . . 27 DA H61 . 11608 1 220 . 2 2 12 12 DA H62 H 1 6.20 0.01 . 2 . . . . 27 DA H62 . 11608 1 221 . 2 2 13 13 DT H1' H 1 5.96 0.01 . 1 . . . . 28 DT H1' . 11608 1 222 . 2 2 13 13 DT H2' H 1 1.94 0.01 . 1 . . . . 28 DT H2' . 11608 1 223 . 2 2 13 13 DT H2'' H 1 2.42 0.01 . 1 . . . . 28 DT H2'' . 11608 1 224 . 2 2 13 13 DT H3 H 1 13.62 0.01 . 1 . . . . 28 DT H3 . 11608 1 225 . 2 2 13 13 DT H3' H 1 4.81 0.01 . 1 . . . . 28 DT H3' . 11608 1 226 . 2 2 13 13 DT H6 H 1 7.20 0.01 . 1 . . . . 28 DT H6 . 11608 1 227 . 2 2 13 13 DT H71 H 1 1.36 0.01 . 2 . . . . 28 DT H71 . 11608 1 228 . 2 2 13 13 DT H72 H 1 1.36 0.01 . 2 . . . . 28 DT H72 . 11608 1 229 . 2 2 13 13 DT H73 H 1 1.36 0.01 . 2 . . . . 28 DT H73 . 11608 1 230 . 2 2 14 14 DT H1' H 1 5.98 0.01 . 1 . . . . 29 DT H1' . 11608 1 231 . 2 2 14 14 DT H2' H 1 2.02 0.01 . 1 . . . . 29 DT H2' . 11608 1 232 . 2 2 14 14 DT H2'' H 1 2.31 0.01 . 1 . . . . 29 DT H2'' . 11608 1 233 . 2 2 14 14 DT H3 H 1 13.58 0.01 . 1 . . . . 29 DT H3 . 11608 1 234 . 2 2 14 14 DT H3' H 1 4.82 0.01 . 1 . . . . 29 DT H3' . 11608 1 235 . 2 2 14 14 DT H6 H 1 7.32 0.01 . 1 . . . . 29 DT H6 . 11608 1 236 . 2 2 14 14 DT H71 H 1 1.64 0.01 . 2 . . . . 29 DT H71 . 11608 1 237 . 2 2 14 14 DT H72 H 1 1.64 0.01 . 2 . . . . 29 DT H72 . 11608 1 238 . 2 2 14 14 DT H73 H 1 1.64 0.01 . 2 . . . . 29 DT H73 . 11608 1 239 . 2 2 15 15 DA H1' H 1 6.34 0.01 . 1 . . . . 30 DA H1' . 11608 1 240 . 2 2 15 15 DA H2 H 1 7.73 0.01 . 1 . . . . 30 DA H2 . 11608 1 241 . 2 2 15 15 DA H2' H 1 2.74 0.01 . 1 . . . . 30 DA H2' . 11608 1 242 . 2 2 15 15 DA H2'' H 1 2.49 0.01 . 1 . . . . 30 DA H2'' . 11608 1 243 . 2 2 15 15 DA H3' H 1 4.73 0.01 . 1 . . . . 30 DA H3' . 11608 1 244 . 2 2 15 15 DA H8 H 1 8.29 0.01 . 1 . . . . 30 DA H8 . 11608 1 stop_ save_