data_34895 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34895 _Entry.Title ; Structure of a chair-type antiparallel quadruplex-duplex hybrid at pH 6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-02-02 _Entry.Accession_date 2024-02-02 _Entry.Last_release_date 2024-02-19 _Entry.Original_release_date 2024-02-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Y. Vianney Y. M. . . 34895 2 K. Weisz K. . . . 34895 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34895 G-quadruplex . 34895 'Quadruplex-duplex hybrid' . 34895 'acidic pH' . 34895 antiparallel . 34895 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34895 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 38 34895 '1H chemical shifts' 222 34895 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 2 . . 2024-07-09 2024-02-02 update BMRB 'update entry citation' 34895 1 . . 2024-03-19 2024-02-02 original author 'original release' 34895 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8RW2 'BMRB Entry Tracking System' 34895 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34895 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38497675 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A pH-Responsive Topological Switch Based on a DNA Quadruplex-Duplex Hybrid ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 29 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 e202400722 _Citation.Page_last e202400722 _Citation.Year 2024 _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 Y. Vianney Y. M. . . 34895 1 2 J. Jana J. . . . 34895 1 3 K. Weisz K. . . . 34895 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34895 _Assembly.ID 1 _Assembly.Name 'DNA (33-MER)' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 34895 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34895 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GGGCGCGAAGCATTCGCGGG GTTAGGGTTXGGG ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10389.648 _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 . 34895 1 2 . DG . 34895 1 3 . DG . 34895 1 4 . DC . 34895 1 5 . DG . 34895 1 6 . DC . 34895 1 7 . DG . 34895 1 8 . DA . 34895 1 9 . DA . 34895 1 10 . DG . 34895 1 11 . DC . 34895 1 12 . DA . 34895 1 13 . DT . 34895 1 14 . DT . 34895 1 15 . DC . 34895 1 16 . DG . 34895 1 17 . DC . 34895 1 18 . DG . 34895 1 19 . DG . 34895 1 20 . DG . 34895 1 21 . DG . 34895 1 22 . DT . 34895 1 23 . DT . 34895 1 24 . DA . 34895 1 25 . DG . 34895 1 26 . DG . 34895 1 27 . DG . 34895 1 28 . DT . 34895 1 29 . DT . 34895 1 30 . A1H3G . 34895 1 31 . DG . 34895 1 32 . DG . 34895 1 33 . DG . 34895 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 34895 1 . DG 2 2 34895 1 . DG 3 3 34895 1 . DC 4 4 34895 1 . DG 5 5 34895 1 . DC 6 6 34895 1 . DG 7 7 34895 1 . DA 8 8 34895 1 . DA 9 9 34895 1 . DG 10 10 34895 1 . DC 11 11 34895 1 . DA 12 12 34895 1 . DT 13 13 34895 1 . DT 14 14 34895 1 . DC 15 15 34895 1 . DG 16 16 34895 1 . DC 17 17 34895 1 . DG 18 18 34895 1 . DG 19 19 34895 1 . DG 20 20 34895 1 . DG 21 21 34895 1 . DT 22 22 34895 1 . DT 23 23 34895 1 . DA 24 24 34895 1 . DG 25 25 34895 1 . DG 26 26 34895 1 . DG 27 27 34895 1 . DT 28 28 34895 1 . DT 29 29 34895 1 . A1H3G 30 30 34895 1 . DG 31 31 34895 1 . DG 32 32 34895 1 . DG 33 33 34895 1 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 34895 _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 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34895 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 34895 _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 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34895 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_A1H3G _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_A1H3G _Chem_comp.Entry_ID 34895 _Chem_comp.ID A1H3G _Chem_comp.Provenance . _Chem_comp.Name "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE (protonated at N1)" _Chem_comp.Type 'DNA linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code A1H3G _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _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 . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C10 H15 N5 O6 P 1' _Chem_comp.Formula_weight 332.230 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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_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 N1 . N1 . . N . . N . . . . . yes . . . . . . . . . . . . . . 1 . 34895 A1H3G N3 . N3 . . N . . N . . . . . yes . . . . . . . . . . . . . . 2 . 34895 A1H3G C6 . C6 . . C . . N . . . . . yes . . . . . . . . . . . . . . 3 . 34895 A1H3G C5 . C5 . . C . . N . . . . . yes . . . . . . . . . . . . . . 4 . 34895 A1H3G C4 . C4 . . C . . N . . . . . yes . . . . . . . . . . . . . . 5 . 34895 A1H3G C8 . C8 . . C . . N . . . . . yes . . . . . . . . . . . . . . 6 . 34895 A1H3G P . P . . P . . N . . . . . no . . . . . . . . . . . . . . 7 . 34895 A1H3G OP3 . OP3 . . O . . N . . . . . no . . . . . . . . . . . . . . 8 . 34895 A1H3G OP1 . OP1 . . O . . N . . . . . no . . . . . . . . . . . . . . 9 . 34895 A1H3G O5' . O5' . . O . . N . . . . . no . . . . . . . . . . . . . . 10 . 34895 A1H3G O3' . O3' . . O . . N . . . . . no . . . . . . . . . . . . . . 11 . 34895 A1H3G C2 . C2 . . C . . N . . . . . yes . . . . . . . . . . . . . . 12 . 34895 A1H3G N7 . N7 . . N . . N . . . . . yes . . . . . . . . . . . . . . 13 . 34895 A1H3G N9 . N9 . . N . . N . . . . . yes . . . . . . . . . . . . . . 14 . 34895 A1H3G N6 . N6 . . N . . N . . . . . no . . . . . . . . . . . . . . 15 . 34895 A1H3G C1' . C1' . . C . . R . . . . . no . . . . . . . . . . . . . . 16 . 34895 A1H3G O4' . O4' . . O . . N . . . . . no . . . . . . . . . . . . . . 17 . 34895 A1H3G C4' . C4' . . C . . R . . . . . no . . . . . . . . . . . . . . 18 . 34895 A1H3G C3' . C3' . . C . . S . . . . . no . . . . . . . . . . . . . . 19 . 34895 A1H3G C2' . C2' . . C . . N . . . . . no . . . . . . . . . . . . . . 20 . 34895 A1H3G C5' . C5' . . C . . N . . . . . no . . . . . . . . . . . . . . 21 . 34895 A1H3G OP2 . OP2 . . O . . N . . . . . no . . . . . . . . . . . . . . 22 . 34895 A1H3G H1 . H1 . . H . . N . . . . . no . . . . . . . . . . . . . . 23 . 34895 A1H3G H8 . H8 . . H . . N . . . . . no . . . . . . . . . . . . . . 24 . 34895 A1H3G HOP3 . HOP3 . . H . . N . . . . . no . . . . . . . . . . . . . . 25 . 34895 A1H3G HO3' . HO3' . . H . . N . . . . . no . . . . . . . . . . . . . . 26 . 34895 A1H3G H2 . H2 . . H . . N . . . . . no . . . . . . . . . . . . . . 27 . 34895 A1H3G H62 . H62 . . H . . N . . . . . no . . . . . . . . . . . . . . 28 . 34895 A1H3G H61 . H61 . . H . . N . . . . . no . . . . . . . . . . . . . . 29 . 34895 A1H3G H1' . H1' . . H . . N . . . . . no . . . . . . . . . . . . . . 30 . 34895 A1H3G H4' . H4' . . H . . N . . . . . no . . . . . . . . . . . . . . 31 . 34895 A1H3G H3' . H3' . . H . . N . . . . . no . . . . . . . . . . . . . . 32 . 34895 A1H3G H2' . H2' . . H . . N . . . . . no . . . . . . . . . . . . . . 33 . 34895 A1H3G H2'' . H2'' . . H . . N . . . . . no . . . . . . . . . . . . . . 34 . 34895 A1H3G H5'' . H5'' . . H . . N . . . . . no . . . . . . . . . . . . . . 35 . 34895 A1H3G H5' . H5' . . H . . N . . . . . no . . . . . . . . . . . . . . 36 . 34895 A1H3G HOP2 . HOP2 . . H . . N . . . . . no . . . . . . . . . . . . . . 37 . 34895 A1H3G 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 N6 C6 no N 1 . 34895 A1H3G 2 . DOUB N1 C6 yes N 2 . 34895 A1H3G 3 . SING N1 C2 yes N 3 . 34895 A1H3G 4 . SING C6 C5 yes N 4 . 34895 A1H3G 5 . DOUB C2 N3 yes N 5 . 34895 A1H3G 6 . DOUB C5 C4 yes N 6 . 34895 A1H3G 7 . SING C5 N7 yes N 7 . 34895 A1H3G 8 . SING N3 C4 yes N 8 . 34895 A1H3G 9 . SING C4 N9 yes N 9 . 34895 A1H3G 10 . DOUB N7 C8 yes N 10 . 34895 A1H3G 11 . SING N9 C8 yes N 11 . 34895 A1H3G 12 . SING N9 C1' no N 12 . 34895 A1H3G 13 . SING C1' C2' no N 13 . 34895 A1H3G 14 . SING C1' O4' no N 14 . 34895 A1H3G 15 . SING C2' C3' no N 15 . 34895 A1H3G 16 . SING O4' C4' no N 16 . 34895 A1H3G 17 . SING O3' C3' no N 17 . 34895 A1H3G 18 . SING C3' C4' no N 18 . 34895 A1H3G 19 . SING C4' C5' no N 19 . 34895 A1H3G 20 . SING O5' C5' no N 20 . 34895 A1H3G 21 . SING O5' P no N 21 . 34895 A1H3G 22 . DOUB OP1 P no N 22 . 34895 A1H3G 23 . SING P OP3 no N 23 . 34895 A1H3G 24 . SING P OP2 no N 24 . 34895 A1H3G 25 . SING N1 H1 no N 25 . 34895 A1H3G 26 . SING C8 H8 no N 26 . 34895 A1H3G 27 . SING OP3 HOP3 no N 27 . 34895 A1H3G 28 . SING O3' HO3' no N 28 . 34895 A1H3G 29 . SING C2 H2 no N 29 . 34895 A1H3G 30 . SING N6 H62 no N 30 . 34895 A1H3G 31 . SING N6 H61 no N 31 . 34895 A1H3G 32 . SING C1' H1' no N 32 . 34895 A1H3G 33 . SING C4' H4' no N 33 . 34895 A1H3G 34 . SING C3' H3' no N 34 . 34895 A1H3G 35 . SING C2' H2' no N 35 . 34895 A1H3G 36 . SING C2' H2'' no N 36 . 34895 A1H3G 37 . SING C5' H5'' no N 37 . 34895 A1H3G 38 . SING C5' H5' no N 38 . 34895 A1H3G 39 . SING OP2 HOP2 no N 39 . 34895 A1H3G stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34895 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM DNA (33-MER), 0.28 mM [U 10%-15N]-Ade DNA (33-MER), 0.2 mM [U 10%-15N]-Gua DNA (33-MER), 90% H2O/10% D2O' _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 (33-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 0.9 . . mM . . . . 34895 1 2 'DNA (33-MER)' '[U 10%-15N]-Ade' 1 $assembly 1 $entity_1 . . 0.28 . . mM . . . . 34895 1 3 'DNA (33-MER)' '[U 10%-15N]-Gua' 1 $assembly 1 $entity_1 . . 0.2 . . mM . . . . 34895 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 34895 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 120 . mM 34895 1 pH 6.1 . pH 34895 1 pressure 1 . atm 34895 1 temperature 298 . K 34895 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34895 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34895 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34895 1 'peak picking' . 34895 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34895 _Software.ID 2 _Software.Type . _Software.Name Amber _Software.Version 18 _Software.DOI . _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 Kollman' . . 34895 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34895 2 'structure calculation' . 34895 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34895 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 4.0.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34895 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34895 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34895 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34895 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 600 . . . 34895 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 34895 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34895 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34895 1 3 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34895 1 4 '1H-15N HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34895 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34895 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 34895 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34895 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34895 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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-13C HSQC' . . . 34895 1 2 '2D 1H-1H NOESY' . . . 34895 1 3 '2D 1H-1H COSY' . . . 34895 1 4 '1H-15N HMQC' . . . 34895 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 11.737 0.002 . 1 . . 1674 . A 1 DG H1 . 34895 1 2 . 1 . 1 1 1 DG H1' H 1 6.137 0.002 . 1 . . 1533 . A 1 DG H1' . 34895 1 3 . 1 . 1 1 1 DG H2' H 1 2.616 0.003 . 1 . . 1611 . A 1 DG H2' . 34895 1 4 . 1 . 1 1 1 DG H2'' H 1 3.224 0.003 . 1 . . 1609 . A 1 DG H2'' . 34895 1 5 . 1 . 1 1 1 DG H3' H 1 5.027 0.003 . 1 . . 1645 . A 1 DG H3' . 34895 1 6 . 1 . 1 1 1 DG H8 H 1 7.434 0.002 . 1 . . 1534 . A 1 DG H8 . 34895 1 7 . 1 . 1 1 1 DG C8 C 13 141.404 . . 1 . . 1706 . A 1 DG C8 . 34895 1 8 . 1 . 1 2 2 DG H1 H 1 11.972 0.002 . 1 . . 1684 . A 2 DG H1 . 34895 1 9 . 1 . 1 2 2 DG H1' H 1 5.910 0.004 . 1 . . 1535 . A 2 DG H1' . 34895 1 10 . 1 . 1 2 2 DG H2' H 1 2.547 0.009 . 1 . . 1612 . A 2 DG H2' . 34895 1 11 . 1 . 1 2 2 DG H2'' H 1 2.813 0.002 . 1 . . 1600 . A 2 DG H2'' . 34895 1 12 . 1 . 1 2 2 DG H3' H 1 5.115 0.003 . 1 . . 1652 . A 2 DG H3' . 34895 1 13 . 1 . 1 2 2 DG H8 H 1 7.926 0.002 . 1 . . 1532 . A 2 DG H8 . 34895 1 14 . 1 . 1 2 2 DG C8 C 13 138.134 . . 1 . . 1722 . A 2 DG C8 . 34895 1 15 . 1 . 1 3 3 DG H1 H 1 11.334 0.004 . 1 . . 1683 . A 3 DG H1 . 34895 1 16 . 1 . 1 3 3 DG H1' H 1 5.918 0.003 . 1 . . 1536 . A 3 DG H1' . 34895 1 17 . 1 . 1 3 3 DG H2' H 1 2.790 0.004 . 1 . . 1603 . A 3 DG H2' . 34895 1 18 . 1 . 1 3 3 DG H2'' H 1 2.520 0.003 . 1 . . 1602 . A 3 DG H2'' . 34895 1 19 . 1 . 1 3 3 DG H3' H 1 5.031 0.003 . 1 . . 1653 . A 3 DG H3' . 34895 1 20 . 1 . 1 3 3 DG H8 H 1 7.989 0.002 . 1 . . 1504 . A 3 DG H8 . 34895 1 21 . 1 . 1 3 3 DG C8 C 13 138.719 . . 1 . . 1720 . A 3 DG C8 . 34895 1 22 . 1 . 1 4 4 DC H1' H 1 6.189 0.002 . 1 . . 1531 . A 4 DC H1' . 34895 1 23 . 1 . 1 4 4 DC H2' H 1 1.986 0.002 . 1 . . 1594 . A 4 DC H2' . 34895 1 24 . 1 . 1 4 4 DC H2'' H 1 2.616 0.005 . 1 . . 1601 . A 4 DC H2'' . 34895 1 25 . 1 . 1 4 4 DC H3' H 1 5.030 0.001 . 1 . . 1644 . A 4 DC H3' . 34895 1 26 . 1 . 1 4 4 DC H5 H 1 5.704 0.003 . 1 . . 1490 . A 4 DC H5 . 34895 1 27 . 1 . 1 4 4 DC H6 H 1 7.561 0.003 . 1 . . 1489 . A 4 DC H6 . 34895 1 28 . 1 . 1 4 4 DC H41 H 1 8.075 0.001 . 1 . . 1512 . A 4 DC H41 . 34895 1 29 . 1 . 1 4 4 DC H42 H 1 7.344 0.002 . 1 . . 1513 . A 4 DC H42 . 34895 1 30 . 1 . 1 4 4 DC C6 C 13 143.027 . . 1 . . 1711 . A 4 DC C6 . 34895 1 31 . 1 . 1 5 5 DG H1 H 1 12.647 0.002 . 1 . . 1518 . A 5 DG H1 . 34895 1 32 . 1 . 1 5 5 DG H1' H 1 5.552 0.002 . 1 . . 1530 . A 5 DG H1' . 34895 1 33 . 1 . 1 5 5 DG H2' H 1 2.620 0.003 . 1 . . 1596 . A 5 DG H2' . 34895 1 34 . 1 . 1 5 5 DG H2'' H 1 2.546 0.003 . 1 . . 1595 . A 5 DG H2'' . 34895 1 35 . 1 . 1 5 5 DG H3' H 1 4.966 0.004 . 1 . . 1646 . A 5 DG H3' . 34895 1 36 . 1 . 1 5 5 DG H8 H 1 7.919 0.002 . 1 . . 1529 . A 5 DG H8 . 34895 1 37 . 1 . 1 5 5 DG C8 C 13 138.126 . . 1 . . 1721 . A 5 DG C8 . 34895 1 38 . 1 . 1 6 6 DC H1' H 1 5.680 0.003 . 1 . . 1537 . A 6 DC H1' . 34895 1 39 . 1 . 1 6 6 DC H2' H 1 1.790 0.003 . 1 . . 1598 . A 6 DC H2' . 34895 1 40 . 1 . 1 6 6 DC H2'' H 1 2.257 0.005 . 1 . . 1599 . A 6 DC H2'' . 34895 1 41 . 1 . 1 6 6 DC H3' H 1 4.812 0.002 . 1 . . 1654 . A 6 DC H3' . 34895 1 42 . 1 . 1 6 6 DC H5 H 1 5.439 0.002 . 1 . . 1483 . A 6 DC H5 . 34895 1 43 . 1 . 1 6 6 DC H6 H 1 7.285 0.003 . 1 . . 1482 . A 6 DC H6 . 34895 1 44 . 1 . 1 6 6 DC H41 H 1 8.108 0.004 . 1 . . 1516 . A 6 DC H41 . 34895 1 45 . 1 . 1 6 6 DC H42 H 1 6.324 0.003 . 1 . . 1517 . A 6 DC H42 . 34895 1 46 . 1 . 1 6 6 DC C6 C 13 142.638 . . 1 . . 1707 . A 6 DC C6 . 34895 1 47 . 1 . 1 7 7 DG H1 H 1 12.765 0.004 . 1 . . 1514 . A 7 DG H1 . 34895 1 48 . 1 . 1 7 7 DG H1' H 1 5.272 0.002 . 1 . . 1539 . A 7 DG H1' . 34895 1 49 . 1 . 1 7 7 DG H2' H 1 2.605 0.005 . 1 . . 1597 . A 7 DG H2' . 34895 1 50 . 1 . 1 7 7 DG H2'' H 1 2.659 0.002 . 1 . . 1574 . A 7 DG H2'' . 34895 1 51 . 1 . 1 7 7 DG H3' H 1 4.941 0.004 . 1 . . 1650 . A 7 DG H3' . 34895 1 52 . 1 . 1 7 7 DG H8 H 1 7.852 0.003 . 1 . . 1538 . A 7 DG H8 . 34895 1 53 . 1 . 1 7 7 DG C8 C 13 138.155 . . 1 . . 1724 . A 7 DG C8 . 34895 1 54 . 1 . 1 8 8 DA H1' H 1 5.864 0.004 . 1 . . 1521 . A 8 DA H1' . 34895 1 55 . 1 . 1 8 8 DA H2 H 1 7.557 0.002 . 1 . . 1507 . A 8 DA H2 . 34895 1 56 . 1 . 1 8 8 DA H2' H 1 2.291 0.002 . 1 . . 1592 . A 8 DA H2' . 34895 1 57 . 1 . 1 8 8 DA H2'' H 1 2.593 0.003 . 1 . . 1593 . A 8 DA H2'' . 34895 1 58 . 1 . 1 8 8 DA H3' H 1 4.948 0.004 . 1 . . 1656 . A 8 DA H3' . 34895 1 59 . 1 . 1 8 8 DA H8 H 1 7.899 0.002 . 1 . . 1523 . A 8 DA H8 . 34895 1 60 . 1 . 1 8 8 DA C2 C 13 154.456 . . 1 . . 1693 . A 8 DA C2 . 34895 1 61 . 1 . 1 8 8 DA C8 C 13 141.021 . . 1 . . 1715 . A 8 DA C8 . 34895 1 62 . 1 . 1 9 9 DA H1' H 1 5.856 0.003 . 1 . . 1520 . A 9 DA H1' . 34895 1 63 . 1 . 1 9 9 DA H2 H 1 7.678 0.003 . 1 . . 1509 . A 9 DA H2 . 34895 1 64 . 1 . 1 9 9 DA H2' H 1 2.055 0.004 . 1 . . 1590 . A 9 DA H2' . 34895 1 65 . 1 . 1 9 9 DA H2'' H 1 2.408 0.003 . 1 . . 1591 . A 9 DA H2'' . 34895 1 66 . 1 . 1 9 9 DA H3' H 1 4.867 0.002 . 1 . . 1655 . A 9 DA H3' . 34895 1 67 . 1 . 1 9 9 DA H8 H 1 7.459 0.003 . 1 . . 1522 . A 9 DA H8 . 34895 1 68 . 1 . 1 9 9 DA C2 C 13 154.996 . . 1 . . 1692 . A 9 DA C2 . 34895 1 69 . 1 . 1 9 9 DA C8 C 13 139.901 . . 1 . . 1704 . A 9 DA C8 . 34895 1 70 . 1 . 1 10 10 DG H1' H 1 5.369 0.003 . 1 . . 1491 . A 10 DG H1' . 34895 1 71 . 1 . 1 10 10 DG H2' H 1 2.627 0.004 . 1 . . 1573 . A 10 DG H2' . 34895 1 72 . 1 . 1 10 10 DG H2'' H 1 2.339 0.001 . 1 . . 1572 . A 10 DG H2'' . 34895 1 73 . 1 . 1 10 10 DG H3' H 1 4.805 0.002 . 1 . . 1657 . A 10 DG H3' . 34895 1 74 . 1 . 1 10 10 DG H8 H 1 8.035 0.001 . 1 . . 1524 . A 10 DG H8 . 34895 1 75 . 1 . 1 10 10 DG C8 C 13 138.990 . . 1 . . 1719 . A 10 DG C8 . 34895 1 76 . 1 . 1 11 11 DC H1' H 1 5.696 0.002 . 1 . . 1495 . A 11 DC H1' . 34895 1 77 . 1 . 1 11 11 DC H2' H 1 1.597 0.005 . 1 . . 1588 . A 11 DC H2' . 34895 1 78 . 1 . 1 11 11 DC H2'' H 1 2.053 0.0 . 1 . . 1589 . A 11 DC H2'' . 34895 1 79 . 1 . 1 11 11 DC H3' H 1 4.418 0.003 . 1 . . 1658 . A 11 DC H3' . 34895 1 80 . 1 . 1 11 11 DC H5 H 1 5.227 0.002 . 1 . . 1485 . A 11 DC H5 . 34895 1 81 . 1 . 1 11 11 DC H6 H 1 7.205 0.003 . 1 . . 1484 . A 11 DC H6 . 34895 1 82 . 1 . 1 11 11 DC C6 C 13 143.631 . . 1 . . 1709 . A 11 DC C6 . 34895 1 83 . 1 . 1 12 12 DA H1' H 1 6.305 0.003 . 1 . . 1493 . A 12 DA H1' . 34895 1 84 . 1 . 1 12 12 DA H2 H 1 8.027 0.002 . 1 . . 1494 . A 12 DA H2 . 34895 1 85 . 1 . 1 12 12 DA H2' H 1 2.974 0.015 . 1 . . 1577 . A 12 DA H2' . 34895 1 86 . 1 . 1 12 12 DA H2'' H 1 2.934 0.0 . 1 . . 1576 . A 12 DA H2'' . 34895 1 87 . 1 . 1 12 12 DA H3' H 1 4.812 0.003 . 1 . . 1641 . A 12 DA H3' . 34895 1 88 . 1 . 1 12 12 DA H8 H 1 8.082 0.002 . 1 . . 1492 . A 12 DA H8 . 34895 1 89 . 1 . 1 12 12 DA C2 C 13 155.385 . . 1 . . 1691 . A 12 DA C2 . 34895 1 90 . 1 . 1 12 12 DA C8 C 13 143.105 . . 1 . . 1696 . A 12 DA C8 . 34895 1 91 . 1 . 1 13 13 DT H1' H 1 5.677 0.005 . 1 . . 1526 . A 13 DT H1' . 34895 1 92 . 1 . 1 13 13 DT H2' H 1 2.112 0.007 . 1 . . 1578 . A 13 DT H2' . 34895 1 93 . 1 . 1 13 13 DT H2'' H 1 2.483 0.001 . 1 . . 1579 . A 13 DT H2'' . 34895 1 94 . 1 . 1 13 13 DT H3 H 1 13.273 0.004 . 1 . . 1510 . A 13 DT H3 . 34895 1 95 . 1 . 1 13 13 DT H3' H 1 4.754 0.005 . 1 . . 1661 . A 13 DT H3' . 34895 1 96 . 1 . 1 13 13 DT H6 H 1 7.400 0.001 . 1 . . 1525 . A 13 DT H6 . 34895 1 97 . 1 . 1 13 13 DT H71 H 1 1.831 0.003 . 1 . . 1582 . A 13 DT H71 . 34895 1 98 . 1 . 1 13 13 DT H72 H 1 1.831 0.003 . 1 . . 1582 . A 13 DT H72 . 34895 1 99 . 1 . 1 13 13 DT H73 H 1 1.831 0.003 . 1 . . 1582 . A 13 DT H73 . 34895 1 100 . 1 . 1 13 13 DT C6 C 13 139.368 . . 1 . . 1702 . A 13 DT C6 . 34895 1 101 . 1 . 1 14 14 DT H1' H 1 6.016 0.004 . 1 . . 1527 . A 14 DT H1' . 34895 1 102 . 1 . 1 14 14 DT H2' H 1 2.141 0.007 . 1 . . 1580 . A 14 DT H2' . 34895 1 103 . 1 . 1 14 14 DT H2'' H 1 2.405 0.003 . 1 . . 1581 . A 14 DT H2'' . 34895 1 104 . 1 . 1 14 14 DT H3 H 1 13.862 0.001 . 1 . . 1508 . A 14 DT H3 . 34895 1 105 . 1 . 1 14 14 DT H3' H 1 4.838 0.003 . 1 . . 1663 . A 14 DT H3' . 34895 1 106 . 1 . 1 14 14 DT H6 H 1 7.399 0.003 . 1 . . 1528 . A 14 DT H6 . 34895 1 107 . 1 . 1 14 14 DT H71 H 1 1.621 0.005 . 1 . . 1567 . A 14 DT H71 . 34895 1 108 . 1 . 1 14 14 DT H72 H 1 1.621 0.005 . 1 . . 1567 . A 14 DT H72 . 34895 1 109 . 1 . 1 14 14 DT H73 H 1 1.621 0.005 . 1 . . 1567 . A 14 DT H73 . 34895 1 110 . 1 . 1 14 14 DT C6 C 13 139.837 . . 1 . . 1703 . A 14 DT C6 . 34895 1 111 . 1 . 1 15 15 DC H1' H 1 5.450 0.002 . 1 . . 1486 . A 15 DC H1' . 34895 1 112 . 1 . 1 15 15 DC H2' H 1 1.989 0.004 . 1 . . 1570 . A 15 DC H2' . 34895 1 113 . 1 . 1 15 15 DC H2'' H 1 2.220 0.002 . 1 . . 1575 . A 15 DC H2'' . 34895 1 114 . 1 . 1 15 15 DC H3' H 1 4.749 0.002 . 1 . . 1649 . A 15 DC H3' . 34895 1 115 . 1 . 1 15 15 DC H5 H 1 5.637 0.002 . 1 . . 1479 . A 15 DC H5 . 34895 1 116 . 1 . 1 15 15 DC H6 H 1 7.445 0.005 . 1 . . 1481 . A 15 DC H6 . 34895 1 117 . 1 . 1 15 15 DC H41 H 1 8.462 0.001 . 1 . . 1480 . A 15 DC H41 . 34895 1 118 . 1 . 1 15 15 DC H42 H 1 6.866 0.002 . 1 . . 1478 . A 15 DC H42 . 34895 1 119 . 1 . 1 15 15 DC C6 C 13 143.680 . . 1 . . 1710 . A 15 DC C6 . 34895 1 120 . 1 . 1 16 16 DG H1 H 1 12.770 0.004 . 1 . . 1515 . A 16 DG H1 . 34895 1 121 . 1 . 1 16 16 DG H1' H 1 5.677 0.003 . 1 . . 1488 . A 16 DG H1' . 34895 1 122 . 1 . 1 16 16 DG H2' H 1 2.196 0.005 . 1 . . 1568 . A 16 DG H2' . 34895 1 123 . 1 . 1 16 16 DG H2'' H 1 2.237 0.005 . 1 . . 1569 . A 16 DG H2'' . 34895 1 124 . 1 . 1 16 16 DG H3' H 1 4.714 0.002 . 1 . . 1662 . A 16 DG H3' . 34895 1 125 . 1 . 1 16 16 DG H8 H 1 7.579 0.002 . 1 . . 1487 . A 16 DG H8 . 34895 1 126 . 1 . 1 16 16 DG C8 C 13 138.127 . . 1 . . 1712 . A 16 DG C8 . 34895 1 127 . 1 . 1 17 17 DC H1' H 1 5.370 0.004 . 1 . . 1474 . A 17 DC H1' . 34895 1 128 . 1 . 1 17 17 DC H2' H 1 1.688 0.002 . 1 . . 1566 . A 17 DC H2' . 34895 1 129 . 1 . 1 17 17 DC H2'' H 1 2.052 0.005 . 1 . . 1565 . A 17 DC H2'' . 34895 1 130 . 1 . 1 17 17 DC H3' H 1 4.581 0.004 . 1 . . 1648 . A 17 DC H3' . 34895 1 131 . 1 . 1 17 17 DC H5 H 1 4.424 0.002 . 1 . . 1476 . A 17 DC H5 . 34895 1 132 . 1 . 1 17 17 DC H6 H 1 7.032 0.003 . 1 . . 1475 . A 17 DC H6 . 34895 1 133 . 1 . 1 17 17 DC H41 H 1 7.863 0.001 . 1 . . 1519 . A 17 DC H41 . 34895 1 134 . 1 . 1 17 17 DC H42 H 1 6.607 0.002 . 1 . . 1477 . A 17 DC H42 . 34895 1 135 . 1 . 1 17 17 DC C6 C 13 142.793 . . 1 . . 1697 . A 17 DC C6 . 34895 1 136 . 1 . 1 18 18 DG H1 H 1 13.570 0.004 . 1 . . 1511 . A 18 DG H1 . 34895 1 137 . 1 . 1 18 18 DG H1' H 1 6.023 0.006 . 1 . . 1473 . A 18 DG H1' . 34895 1 138 . 1 . 1 18 18 DG H2' H 1 2.565 0.004 . 1 . . 1563 . A 18 DG H2' . 34895 1 139 . 1 . 1 18 18 DG H2'' H 1 3.192 0.004 . 1 . . 1564 . A 18 DG H2'' . 34895 1 140 . 1 . 1 18 18 DG H3' H 1 4.969 0.004 . 1 . . 1664 . A 18 DG H3' . 34895 1 141 . 1 . 1 18 18 DG H8 H 1 8.414 0.003 . 1 . . 1472 . A 18 DG H8 . 34895 1 142 . 1 . 1 18 18 DG C8 C 13 139.860 . . 1 . . 1689 . A 18 DG C8 . 34895 1 143 . 1 . 1 19 19 DG H1 H 1 11.193 0.003 . 1 . . 1685 . A 19 DG H1 . 34895 1 144 . 1 . 1 19 19 DG H1' H 1 5.799 0.002 . 1 . . 1550 . A 19 DG H1' . 34895 1 145 . 1 . 1 19 19 DG H2' H 1 2.981 0.002 . 1 . . 1615 . A 19 DG H2' . 34895 1 146 . 1 . 1 19 19 DG H2'' H 1 2.785 0.0 . 1 . . 1623 . A 19 DG H2'' . 34895 1 147 . 1 . 1 19 19 DG H3' H 1 4.934 0.003 . 1 . . 1665 . A 19 DG H3' . 34895 1 148 . 1 . 1 19 19 DG H8 H 1 7.199 0.003 . 1 . . 1548 . A 19 DG H8 . 34895 1 149 . 1 . 1 19 19 DG C8 C 13 141.410 . . 1 . . 1699 . A 19 DG C8 . 34895 1 150 . 1 . 1 20 20 DG H1 H 1 10.900 0.004 . 1 . . 1682 . A 20 DG H1 . 34895 1 151 . 1 . 1 20 20 DG H1' H 1 5.649 0.003 . 1 . . 1551 . A 20 DG H1' . 34895 1 152 . 1 . 1 20 20 DG H2' H 1 2.348 0.006 . 1 . . 1624 . A 20 DG H2' . 34895 1 153 . 1 . 1 20 20 DG H2'' H 1 2.247 0.003 . 1 . . 1622 . A 20 DG H2'' . 34895 1 154 . 1 . 1 20 20 DG H3' H 1 4.943 0.005 . 1 . . 1647 . A 20 DG H3' . 34895 1 155 . 1 . 1 20 20 DG H8 H 1 7.208 0.004 . 1 . . 1549 . A 20 DG H8 . 34895 1 156 . 1 . 1 20 20 DG C8 C 13 140.662 . . 1 . . 1700 . A 20 DG C8 . 34895 1 157 . 1 . 1 21 21 DG H1 H 1 11.196 0.005 . 1 . . 1676 . A 21 DG H1 . 34895 1 158 . 1 . 1 21 21 DG H1' H 1 5.898 0.003 . 1 . . 1557 . A 21 DG H1' . 34895 1 159 . 1 . 1 21 21 DG H2' H 1 2.657 0.003 . 1 . . 1614 . A 21 DG H2' . 34895 1 160 . 1 . 1 21 21 DG H2'' H 1 2.491 0.004 . 1 . . 1613 . A 21 DG H2'' . 34895 1 161 . 1 . 1 21 21 DG H3' H 1 5.097 0.001 . 1 . . 1666 . A 21 DG H3' . 34895 1 162 . 1 . 1 21 21 DG H8 H 1 7.844 0.004 . 1 . . 1556 . A 21 DG H8 . 34895 1 163 . 1 . 1 21 21 DG C8 C 13 138.151 . . 1 . . 1726 . A 21 DG C8 . 34895 1 164 . 1 . 1 22 22 DT H1' H 1 6.259 0.003 . 1 . . 1497 . A 22 DT H1' . 34895 1 165 . 1 . 1 22 22 DT H2' H 1 2.276 0.002 . 1 . . 1625 . A 22 DT H2' . 34895 1 166 . 1 . 1 22 22 DT H2'' H 1 2.466 0.005 . 1 . . 1626 . A 22 DT H2'' . 34895 1 167 . 1 . 1 22 22 DT H3' H 1 4.844 0.002 . 1 . . 1642 . A 22 DT H3' . 34895 1 168 . 1 . 1 22 22 DT H6 H 1 7.826 0.005 . 1 . . 1496 . A 22 DT H6 . 34895 1 169 . 1 . 1 22 22 DT H71 H 1 1.961 0.002 . 1 . . 1619 . A 22 DT H71 . 34895 1 170 . 1 . 1 22 22 DT H72 H 1 1.961 0.002 . 1 . . 1619 . A 22 DT H72 . 34895 1 171 . 1 . 1 22 22 DT H73 H 1 1.961 0.002 . 1 . . 1619 . A 22 DT H73 . 34895 1 172 . 1 . 1 22 22 DT C6 C 13 140.030 . . 1 . . 1716 . A 22 DT C6 . 34895 1 173 . 1 . 1 23 23 DT H1' H 1 5.743 0.004 . 1 . . 1559 . A 23 DT H1' . 34895 1 174 . 1 . 1 23 23 DT H2' H 1 1.185 0.003 . 1 . . 1586 . A 23 DT H2' . 34895 1 175 . 1 . 1 23 23 DT H2'' H 1 1.779 0.001 . 1 . . 1587 . A 23 DT H2'' . 34895 1 176 . 1 . 1 23 23 DT H3' H 1 4.591 0.002 . 1 . . 1667 . A 23 DT H3' . 34895 1 177 . 1 . 1 23 23 DT H6 H 1 7.182 0.002 . 1 . . 1558 . A 23 DT H6 . 34895 1 178 . 1 . 1 23 23 DT H71 H 1 1.552 0.005 . 1 . . 1585 . A 23 DT H71 . 34895 1 179 . 1 . 1 23 23 DT H72 H 1 1.552 0.005 . 1 . . 1585 . A 23 DT H72 . 34895 1 180 . 1 . 1 23 23 DT H73 H 1 1.552 0.005 . 1 . . 1585 . A 23 DT H73 . 34895 1 181 . 1 . 1 23 23 DT C6 C 13 138.645 . . 1 . . 1701 . A 23 DT C6 . 34895 1 182 . 1 . 1 24 24 DA H1' H 1 5.789 0.003 . 1 . . 1561 . A 24 DA H1' . 34895 1 183 . 1 . 1 24 24 DA H2 H 1 7.524 0.002 . 1 . . 1672 . A 24 DA H2 . 34895 1 184 . 1 . 1 24 24 DA H2' H 1 2.691 0.008 . 1 . . 1629 . A 24 DA H2' . 34895 1 185 . 1 . 1 24 24 DA H2'' H 1 2.703 0.004 . 1 . . 1630 . A 24 DA H2'' . 34895 1 186 . 1 . 1 24 24 DA H3' H 1 4.924 0.001 . 1 . . 1668 . A 24 DA H3' . 34895 1 187 . 1 . 1 24 24 DA H8 H 1 7.856 0.002 . 1 . . 1560 . A 24 DA H8 . 34895 1 188 . 1 . 1 24 24 DA C2 C 13 155.256 . . 1 . . 1694 . A 24 DA C2 . 34895 1 189 . 1 . 1 24 24 DA C8 C 13 141.215 . . 1 . . 1714 . A 24 DA C8 . 34895 1 190 . 1 . 1 25 25 DG H1 H 1 11.040 0.003 . 1 . . 1677 . A 25 DG H1 . 34895 1 191 . 1 . 1 25 25 DG H1' H 1 6.023 0.003 . 1 . . 1553 . A 25 DG H1' . 34895 1 192 . 1 . 1 25 25 DG H2' H 1 3.318 0.004 . 1 . . 1607 . A 25 DG H2' . 34895 1 193 . 1 . 1 25 25 DG H2'' H 1 2.920 0.001 . 1 . . 1606 . A 25 DG H2'' . 34895 1 194 . 1 . 1 25 25 DG H3' H 1 4.889 0.002 . 1 . . 1669 . A 25 DG H3' . 34895 1 195 . 1 . 1 25 25 DG H8 H 1 7.348 0.002 . 1 . . 1552 . A 25 DG H8 . 34895 1 196 . 1 . 1 25 25 DG C8 C 13 142.110 . . 1 . . 1708 . A 25 DG C8 . 34895 1 197 . 1 . 1 26 26 DG H1 H 1 12.027 0.004 . 1 . . 1681 . A 26 DG H1 . 34895 1 198 . 1 . 1 26 26 DG H1' H 1 5.832 0.003 . 1 . . 1554 . A 26 DG H1' . 34895 1 199 . 1 . 1 26 26 DG H2' H 1 2.488 0.004 . 1 . . 1632 . A 26 DG H2' . 34895 1 200 . 1 . 1 26 26 DG H2'' H 1 2.751 0.004 . 1 . . 1633 . A 26 DG H2'' . 34895 1 201 . 1 . 1 26 26 DG H3' H 1 5.045 0.002 . 1 . . 1651 . A 26 DG H3' . 34895 1 202 . 1 . 1 26 26 DG H8 H 1 7.826 0.002 . 1 . . 1555 . A 26 DG H8 . 34895 1 203 . 1 . 1 26 26 DG C8 C 13 138.325 . . 1 . . 1723 . A 26 DG C8 . 34895 1 204 . 1 . 1 27 27 DG H1 H 1 10.972 0.003 . 1 . . 1680 . A 27 DG H1 . 34895 1 205 . 1 . 1 27 27 DG H1' H 1 6.038 0.003 . 1 . . 1546 . A 27 DG H1' . 34895 1 206 . 1 . 1 27 27 DG H2' H 1 2.723 0.003 . 1 . . 1627 . A 27 DG H2' . 34895 1 207 . 1 . 1 27 27 DG H2'' H 1 2.469 0.004 . 1 . . 1628 . A 27 DG H2'' . 34895 1 208 . 1 . 1 27 27 DG H3' H 1 4.945 0.006 . 1 . . 1670 . A 27 DG H3' . 34895 1 209 . 1 . 1 27 27 DG H8 H 1 7.849 0.003 . 1 . . 1547 . A 27 DG H8 . 34895 1 210 . 1 . 1 27 27 DG C8 C 13 138.109 . . 1 . . 1725 . A 27 DG C8 . 34895 1 211 . 1 . 1 28 28 DT H1' H 1 6.453 0.004 . 1 . . 1499 . A 28 DT H1' . 34895 1 212 . 1 . 1 28 28 DT H2' H 1 2.329 0.003 . 1 . . 1620 . A 28 DT H2' . 34895 1 213 . 1 . 1 28 28 DT H2'' H 1 2.592 0.002 . 1 . . 1621 . A 28 DT H2'' . 34895 1 214 . 1 . 1 28 28 DT H3' H 1 4.962 0.005 . 1 . . 1639 . A 28 DT H3' . 34895 1 215 . 1 . 1 28 28 DT H6 H 1 7.692 0.003 . 1 . . 1498 . A 28 DT H6 . 34895 1 216 . 1 . 1 28 28 DT H71 H 1 1.751 0.002 . 1 . . 1583 . A 28 DT H71 . 34895 1 217 . 1 . 1 28 28 DT H72 H 1 1.751 0.002 . 1 . . 1583 . A 28 DT H72 . 34895 1 218 . 1 . 1 28 28 DT H73 H 1 1.751 0.002 . 1 . . 1583 . A 28 DT H73 . 34895 1 219 . 1 . 1 28 28 DT C6 C 13 140.475 . . 1 . . 1713 . A 28 DT C6 . 34895 1 220 . 1 . 1 29 29 DT H1' H 1 6.489 0.003 . 1 . . 1501 . A 29 DT H1' . 34895 1 221 . 1 . 1 29 29 DT H2' H 1 2.258 0.001 . 1 . . 1634 . A 29 DT H2' . 34895 1 222 . 1 . 1 29 29 DT H2'' H 1 2.416 0.004 . 1 . . 1635 . A 29 DT H2'' . 34895 1 223 . 1 . 1 29 29 DT H3' H 1 4.811 0.004 . 1 . . 1640 . A 29 DT H3' . 34895 1 224 . 1 . 1 29 29 DT H6 H 1 7.841 0.003 . 1 . . 1500 . A 29 DT H6 . 34895 1 225 . 1 . 1 29 29 DT H71 H 1 2.079 0.001 . 1 . . 1618 . A 29 DT H71 . 34895 1 226 . 1 . 1 29 29 DT H72 H 1 2.079 0.001 . 1 . . 1618 . A 29 DT H72 . 34895 1 227 . 1 . 1 29 29 DT H73 H 1 2.079 0.001 . 1 . . 1618 . A 29 DT H73 . 34895 1 228 . 1 . 1 29 29 DT C6 C 13 139.600 . . 1 . . 1717 . A 29 DT C6 . 34895 1 229 . 1 . 1 30 30 A1H3G H1 H 1 14.340 0.003 . 1 . . 1686 . A 30 A1H3G H1 . 34895 1 230 . 1 . 1 30 30 A1H3G H1' H 1 5.359 0.002 . 1 . . 1505 . A 30 A1H3G H1' . 34895 1 231 . 1 . 1 30 30 A1H3G H2 H 1 7.180 0.003 . 1 . . 1506 . A 30 A1H3G H2 . 34895 1 232 . 1 . 1 30 30 A1H3G H2' H 1 2.031 0.003 . 1 . . 1616 . A 30 A1H3G H2' . 34895 1 233 . 1 . 1 30 30 A1H3G H2'' H 1 2.423 0.003 . 1 . . 1617 . A 30 A1H3G H2'' . 34895 1 234 . 1 . 1 30 30 A1H3G H3' H 1 4.783 0.001 . 1 . . 1671 . A 30 A1H3G H3' . 34895 1 235 . 1 . 1 30 30 A1H3G H8 H 1 7.989 0.002 . 1 . . 1502 . A 30 A1H3G H8 . 34895 1 236 . 1 . 1 30 30 A1H3G H61 H 1 8.728 0.004 . 1 . . 1830 . A 30 A1H3G H61 . 34895 1 237 . 1 . 1 30 30 A1H3G H62 H 1 11.466 0.003 . 1 . . 1831 . A 30 A1H3G H62 . 34895 1 238 . 1 . 1 30 30 A1H3G C2 C 13 145.981 . . 1 . . 1690 . A 30 A1H3G C2 . 34895 1 239 . 1 . 1 30 30 A1H3G C8 C 13 143.484 . . 1 . . 1695 . A 30 A1H3G C8 . 34895 1 240 . 1 . 1 31 31 DG H1 H 1 10.948 0.004 . 1 . . 1678 . A 31 DG H1 . 34895 1 241 . 1 . 1 31 31 DG H1' H 1 6.215 0.002 . 1 . . 1545 . A 31 DG H1' . 34895 1 242 . 1 . 1 31 31 DG H2' H 1 3.680 0.003 . 1 . . 1610 . A 31 DG H2' . 34895 1 243 . 1 . 1 31 31 DG H2'' H 1 3.188 0.003 . 1 . . 1608 . A 31 DG H2'' . 34895 1 244 . 1 . 1 31 31 DG H3' H 1 4.972 0.0 . 1 . . 1643 . A 31 DG H3' . 34895 1 245 . 1 . 1 31 31 DG H8 H 1 7.152 0.002 . 1 . . 1544 . A 31 DG H8 . 34895 1 246 . 1 . 1 31 31 DG C8 C 13 141.664 . . 1 . . 1698 . A 31 DG C8 . 34895 1 247 . 1 . 1 32 32 DG H1 H 1 11.176 0.004 . 1 . . 1679 . A 32 DG H1 . 34895 1 248 . 1 . 1 32 32 DG H1' H 1 5.994 0.003 . 1 . . 1542 . A 32 DG H1' . 34895 1 249 . 1 . 1 32 32 DG H2' H 1 2.732 0.003 . 1 . . 1637 . A 32 DG H2' . 34895 1 250 . 1 . 1 32 32 DG H2'' H 1 2.542 0.002 . 1 . . 1636 . A 32 DG H2'' . 34895 1 251 . 1 . 1 32 32 DG H3' H 1 5.111 0.005 . 1 . . 1660 . A 32 DG H3' . 34895 1 252 . 1 . 1 32 32 DG H8 H 1 7.407 0.004 . 1 . . 1543 . A 32 DG H8 . 34895 1 253 . 1 . 1 32 32 DG C8 C 13 140.738 . . 1 . . 1705 . A 32 DG C8 . 34895 1 254 . 1 . 1 33 33 DG H1 H 1 11.740 0.004 . 1 . . 1673 . A 33 DG H1 . 34895 1 255 . 1 . 1 33 33 DG H1' H 1 6.178 0.005 . 1 . . 1541 . A 33 DG H1' . 34895 1 256 . 1 . 1 33 33 DG H2' H 1 2.617 0.006 . 1 . . 1638 . A 33 DG H2' . 34895 1 257 . 1 . 1 33 33 DG H2'' H 1 2.290 0.002 . 1 . . 1604 . A 33 DG H2'' . 34895 1 258 . 1 . 1 33 33 DG H3' H 1 4.708 . . 1 . . 1659 . A 33 DG H3' . 34895 1 259 . 1 . 1 33 33 DG H8 H 1 8.088 0.001 . 1 . . 1540 . A 33 DG H8 . 34895 1 260 . 1 . 1 33 33 DG C8 C 13 139.066 . . 1 . . 1718 . A 33 DG C8 . 34895 1 stop_ save_