data_34978 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34978 _Entry.Title ; Human telomeric G-quadruplex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-01-28 _Entry.Accession_date 2025-01-28 _Entry.Last_release_date 2025-08-06 _Entry.Original_release_date 2025-08-06 _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 C. 'Avendano Avila' C. . . . 34978 2 B. Heddi B. . . . 34978 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34978 G-quadruplex . 34978 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34978 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 145 34978 '1H chemical shifts' 224 34978 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 . . 2025-12-03 . original BMRB . 34978 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9I5S 'BMRB Entry Tracking System' 34978 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34978 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Human telomeric G-quadruplex ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. 'Avendano Avila' C. . . . 34978 1 2 B. Heddi B. . . . 34978 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34978 _Assembly.ID 1 _Assembly.Name 'Human telomeric DNA' _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 . . . . . . 34978 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34978 _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 ; GTTAGGGTTAXGGTTAGGGT TAGG ; _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 24 _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 7670.779 _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 . 34978 1 2 . DT . 34978 1 3 . DT . 34978 1 4 . DA . 34978 1 5 . DG . 34978 1 6 . DG . 34978 1 7 . DG . 34978 1 8 . DT . 34978 1 9 . DT . 34978 1 10 . DA . 34978 1 11 . BGM . 34978 1 12 . DG . 34978 1 13 . DG . 34978 1 14 . DT . 34978 1 15 . DT . 34978 1 16 . DA . 34978 1 17 . DG . 34978 1 18 . DG . 34978 1 19 . DG . 34978 1 20 . DT . 34978 1 21 . DT . 34978 1 22 . DA . 34978 1 23 . DG . 34978 1 24 . DG . 34978 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 34978 1 . DT 2 2 34978 1 . DT 3 3 34978 1 . DA 4 4 34978 1 . DG 5 5 34978 1 . DG 6 6 34978 1 . DG 7 7 34978 1 . DT 8 8 34978 1 . DT 9 9 34978 1 . DA 10 10 34978 1 . BGM 11 11 34978 1 . DG 12 12 34978 1 . DG 13 13 34978 1 . DT 14 14 34978 1 . DT 15 15 34978 1 . DA 16 16 34978 1 . DG 17 17 34978 1 . DG 18 18 34978 1 . DG 19 19 34978 1 . DT 20 20 34978 1 . DT 21 21 34978 1 . DA 22 22 34978 1 . DG 23 23 34978 1 . DG 24 24 34978 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 34978 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34978 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 34978 _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' . . . . . . . . . . . . . . . . 34978 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_BGM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BGM _Chem_comp.Entry_ID 34978 _Chem_comp.ID BGM _Chem_comp.Provenance . _Chem_comp.Name 8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE _Chem_comp.Type 'DNA linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code BGM _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 H13 Br N5 O7 P' _Chem_comp.Formula_weight 426.117 _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 P . P . . P . . N . . . . . no . . . . . . . . . . . . . . 1 . 34978 BGM OP1 . OP1 . . O . . N . . . . . no . . . . . . . . . . . . . . 2 . 34978 BGM OP2 . OP2 . . O . . N . . . . . no . . . . . . . . . . . . . . 3 . 34978 BGM O5' . O5' . . O . . N . . . . . no . . . . . . . . . . . . . . 4 . 34978 BGM C5' . C5' . . C . . N . . . . . no . . . . . . . . . . . . . . 5 . 34978 BGM C4' . C4' . . C . . R . . . . . no . . . . . . . . . . . . . . 6 . 34978 BGM O4' . O4' . . O . . N . . . . . no . . . . . . . . . . . . . . 7 . 34978 BGM C1' . C1' . . C . . R . . . . . no . . . . . . . . . . . . . . 8 . 34978 BGM N9 . N9 . . N . . N . . . . . yes . . . . . . . . . . . . . . 9 . 34978 BGM C8 . C8 . . C . . N . . . . . yes . . . . . . . . . . . . . . 10 . 34978 BGM N7 . N7 . . N . . N . . . . . yes . . . . . . . . . . . . . . 11 . 34978 BGM C5 . C5 . . C . . N . . . . . yes . . . . . . . . . . . . . . 12 . 34978 BGM C4 . C4 . . C . . N . . . . . yes . . . . . . . . . . . . . . 13 . 34978 BGM N3 . N3 . . N . . N . . . . . no . . . . . . . . . . . . . . 14 . 34978 BGM C2 . C2 . . C . . N . . . . . no . . . . . . . . . . . . . . 15 . 34978 BGM N2 . N2 . . N . . N . . . . . no . . . . . . . . . . . . . . 16 . 34978 BGM N1 . N1 . . N . . N . . . . . no . . . . . . . . . . . . . . 17 . 34978 BGM C6 . C6 . . C . . N . . . . . no . . . . . . . . . . . . . . 18 . 34978 BGM O6 . O6 . . O . . N . . . . . no . . . . . . . . . . . . . . 19 . 34978 BGM C2' . C2' . . C . . N . . . . . no . . . . . . . . . . . . . . 20 . 34978 BGM C3' . C3' . . C . . S . . . . . no . . . . . . . . . . . . . . 21 . 34978 BGM O3' . O3' . . O . . N . . . . . no . . . . . . . . . . . . . . 22 . 34978 BGM OP3 . OP3 . . O . . N . . . . . no . . . . . . . . . . . . . . 23 . 34978 BGM BR1 . BR1 . . BR . . N . . . . . no . . . . . . . . . . . . . . 24 . 34978 BGM HOP2 . HOP2 . . H . . N . . . . . no . . . . . . . . . . . . . . 25 . 34978 BGM H5' . H5' . . H . . N . . . . . no . . . . . . . . . . . . . . 26 . 34978 BGM H5'' . H5'' . . H . . N . . . . . no . . . . . . . . . . . . . . 27 . 34978 BGM H4' . H4' . . H . . N . . . . . no . . . . . . . . . . . . . . 28 . 34978 BGM H1' . H1' . . H . . N . . . . . no . . . . . . . . . . . . . . 29 . 34978 BGM H21 . H21 . . H . . N . . . . . no . . . . . . . . . . . . . . 30 . 34978 BGM H22 . H22 . . H . . N . . . . . no . . . . . . . . . . . . . . 31 . 34978 BGM H1 . H1 . . H . . N . . . . . no . . . . . . . . . . . . . . 32 . 34978 BGM H2' . H2' . . H . . N . . . . . no . . . . . . . . . . . . . . 33 . 34978 BGM H2'' . H2'' . . H . . N . . . . . no . . . . . . . . . . . . . . 34 . 34978 BGM H3' . H3' . . H . . N . . . . . no . . . . . . . . . . . . . . 35 . 34978 BGM HO3' . HO3' . . H . . N . . . . . no . . . . . . . . . . . . . . 36 . 34978 BGM HOP3 . HOP3 . . H . . N . . . . . no . . . . . . . . . . . . . . 37 . 34978 BGM 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 . DOUB P OP1 no N 1 . 34978 BGM 2 . SING P OP2 no N 2 . 34978 BGM 3 . SING P O5' no N 3 . 34978 BGM 4 . SING P OP3 no N 4 . 34978 BGM 5 . SING OP2 HOP2 no N 5 . 34978 BGM 6 . SING O5' C5' no N 6 . 34978 BGM 7 . SING C5' C4' no N 7 . 34978 BGM 8 . SING C5' H5' no N 8 . 34978 BGM 9 . SING C5' H5'' no N 9 . 34978 BGM 10 . SING C4' O4' no N 10 . 34978 BGM 11 . SING C4' C3' no N 11 . 34978 BGM 12 . SING C4' H4' no N 12 . 34978 BGM 13 . SING O4' C1' no N 13 . 34978 BGM 14 . SING C1' N9 no N 14 . 34978 BGM 15 . SING C1' C2' no N 15 . 34978 BGM 16 . SING C1' H1' no N 16 . 34978 BGM 17 . SING N9 C8 yes N 17 . 34978 BGM 18 . SING N9 C4 yes N 18 . 34978 BGM 19 . DOUB C8 N7 yes N 19 . 34978 BGM 20 . SING C8 BR1 no N 20 . 34978 BGM 21 . SING N7 C5 yes N 21 . 34978 BGM 22 . DOUB C5 C4 yes N 22 . 34978 BGM 23 . SING C5 C6 no N 23 . 34978 BGM 24 . SING C4 N3 no N 24 . 34978 BGM 25 . DOUB N3 C2 no N 25 . 34978 BGM 26 . SING C2 N2 no N 26 . 34978 BGM 27 . SING C2 N1 no N 27 . 34978 BGM 28 . SING N2 H21 no N 28 . 34978 BGM 29 . SING N2 H22 no N 29 . 34978 BGM 30 . SING N1 C6 no N 30 . 34978 BGM 31 . SING N1 H1 no N 31 . 34978 BGM 32 . DOUB C6 O6 no N 32 . 34978 BGM 33 . SING C2' C3' no N 33 . 34978 BGM 34 . SING C2' H2' no N 34 . 34978 BGM 35 . SING C2' H2'' no N 35 . 34978 BGM 36 . SING C3' O3' no N 36 . 34978 BGM 37 . SING C3' H3' no N 37 . 34978 BGM 38 . SING O3' HO3' no N 38 . 34978 BGM 39 . SING OP3 HOP3 no N 39 . 34978 BGM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34978 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '70 mM potassium chloride, 20 mM potassium phosphate, 5 uM DSS, 10 % D2O, 2 mM Human telomeric DNA, 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 'potassium chloride' 'natural abundance' . . . . . . 70 . . mM . . . . 34978 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34978 1 3 DSS 'natural abundance' . . . . . . 5 . . uM . . . . 34978 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34978 1 5 'Human telomeric DNA' 'natural abundance' 1 $assembly 1 $entity_1 . . 2 . . mM . . . . 34978 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34978 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '70 mM potassium chloride, 20 mM potassium phosphate, 5 uM DSS, 10 % D2O, 2 mM Human telomeric DNA, 100% D2O' _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 'potassium chloride' 'natural abundance' . . . . . . 70 . . mM . . . . 34978 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34978 2 3 DSS 'natural abundance' . . . . . . 5 . . uM . . . . 34978 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34978 2 5 'Human telomeric DNA' 'natural abundance' 1 $assembly 1 $entity_1 . . 2 . . mM . . . . 34978 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34978 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 70 mM potassium chloride, 20 mM potassium phosphate, 5 uM DSS, 10 % D2O, 2 mM [U-13C; U-15N]-Gua 3% Human telomeric DNA, 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 'potassium chloride' 'natural abundance' . . . . . . 70 . . mM . . . . 34978 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34978 3 3 DSS 'natural abundance' . . . . . . 5 . . uM . . . . 34978 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34978 3 5 'Human telomeric DNA' '[U-13C; U-15N]-Gua 3%' 1 $assembly 1 $entity_1 . . 2 . . mM . . . . 34978 3 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 34978 _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' 0.1 . M 34978 1 pH 7 . pH 34978 1 pressure 1 . Pa 34978 1 temperature 298 . K 34978 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34978 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Woonghee Lee, Marco Tonelli, John L Markley' . . 34978 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34978 1 'peak picking' . 34978 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34978 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34978 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34978 2 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 34978 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34978 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34978 _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 III' . 600 . . . 34978 1 2 NMR_spectrometer_2 Bruker 'AVANCE II' . 800 . . . 34978 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 34978 _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-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34978 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34978 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34978 1 4 '1D 1H-15N HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34978 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34978 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 34978 _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 'carbonyl carbon' . . . . ppm 0 internal indirect 0.25144953 . . . . . 34978 1 H 1 DSS protons . . . . ppm 0 internal direct 0 . . . . . 34978 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 34978 _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-1H NOESY' . . . 34978 1 2 '2D 1H-1H NOESY' . . . 34978 1 3 '2D 1H-13C HSQC aromatic' . . . 34978 1 4 '1D 1H-15N HMQC' . . . 34978 1 5 '2D 1H-1H TOCSY' . . . 34978 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 6.096 0.004 . 1 . . . . A 1 DG H1' . 34978 1 2 . 1 . 1 1 1 DG H2' H 1 2.642 0.002 . 1 . . . . A 1 DG H2' . 34978 1 3 . 1 . 1 1 1 DG H2'' H 1 2.645 0.004 . 1 . . . . A 1 DG H2'' . 34978 1 4 . 1 . 1 1 1 DG H3' H 1 4.821 0.002 . 1 . . . . A 1 DG H3' . 34978 1 5 . 1 . 1 1 1 DG H4' H 1 4.216 0.003 . 1 . . . . A 1 DG H4' . 34978 1 6 . 1 . 1 1 1 DG H5' H 1 3.761 0.004 . 1 . . . . A 1 DG H5' . 34978 1 7 . 1 . 1 1 1 DG H5'' H 1 3.791 0.003 . 1 . . . . A 1 DG H5'' . 34978 1 8 . 1 . 1 1 1 DG H8 H 1 7.838 0.004 . 1 . . . . A 1 DG H8 . 34978 1 9 . 1 . 1 1 1 DG C1' C 13 87.203 0.000 . 1 . . . . A 1 DG C1' . 34978 1 10 . 1 . 1 1 1 DG C2' C 13 40.329 0.005 . 1 . . . . A 1 DG C2' . 34978 1 11 . 1 . 1 1 1 DG C3' C 13 78.348 0.000 . 1 . . . . A 1 DG C3' . 34978 1 12 . 1 . 1 1 1 DG C4' C 13 86.973 0.000 . 1 . . . . A 1 DG C4' . 34978 1 13 . 1 . 1 1 1 DG C5' C 13 64.066 0.003 . 1 . . . . A 1 DG C5' . 34978 1 14 . 1 . 1 1 1 DG C8 C 13 140.268 0.000 . 1 . . . . A 1 DG C8 . 34978 1 15 . 1 . 1 2 2 DT H1' H 1 6.134 0.004 . 1 . . . . A 2 DT H1' . 34978 1 16 . 1 . 1 2 2 DT H2' H 1 2.203 0.005 . 1 . . . . A 2 DT H2' . 34978 1 17 . 1 . 1 2 2 DT H2'' H 1 2.433 0.004 . 1 . . . . A 2 DT H2'' . 34978 1 18 . 1 . 1 2 2 DT H3' H 1 4.834 0.003 . 1 . . . . A 2 DT H3' . 34978 1 19 . 1 . 1 2 2 DT H4' H 1 4.249 0.003 . 1 . . . . A 2 DT H4' . 34978 1 20 . 1 . 1 2 2 DT H5' H 1 4.073 0.002 . 2 . . . . A 2 DT H5' . 34978 1 21 . 1 . 1 2 2 DT H5'' H 1 4.076 0.003 . 2 . . . . A 2 DT H5'' . 34978 1 22 . 1 . 1 2 2 DT H6 H 1 7.492 0.005 . 1 . . . . A 2 DT H6 . 34978 1 23 . 1 . 1 2 2 DT H71 H 1 1.610 0.003 . 1 . . . . A 2 DT H71 . 34978 1 24 . 1 . 1 2 2 DT H72 H 1 1.610 0.000 . 1 . . . . A 2 DT H72 . 34978 1 25 . 1 . 1 2 2 DT H73 H 1 1.610 0.000 . 1 . . . . A 2 DT H73 . 34978 1 26 . 1 . 1 2 2 DT C1' C 13 87.508 0.000 . 1 . . . . A 2 DT C1' . 34978 1 27 . 1 . 1 2 2 DT C2' C 13 40.247 0.004 . 1 . . . . A 2 DT C2' . 34978 1 28 . 1 . 1 2 2 DT C3' C 13 78.054 0.000 . 1 . . . . A 2 DT C3' . 34978 1 29 . 1 . 1 2 2 DT C4' C 13 88.893 0.000 . 1 . . . . A 2 DT C4' . 34978 1 30 . 1 . 1 2 2 DT C5' C 13 67.462 0.000 . 1 . . . . A 2 DT C5' . 34978 1 31 . 1 . 1 2 2 DT C6 C 13 139.457 0.000 . 1 . . . . A 2 DT C6 . 34978 1 32 . 1 . 1 2 2 DT C7 C 13 14.043 0.000 . 1 . . . . A 2 DT C7 . 34978 1 33 . 1 . 1 3 3 DT H1' H 1 6.136 0.004 . 1 . . . . A 3 DT H1' . 34978 1 34 . 1 . 1 3 3 DT H2' H 1 2.237 0.006 . 1 . . . . A 3 DT H2' . 34978 1 35 . 1 . 1 3 3 DT H2'' H 1 2.405 0.003 . 1 . . . . A 3 DT H2'' . 34978 1 36 . 1 . 1 3 3 DT H3' H 1 4.815 0.007 . 1 . . . . A 3 DT H3' . 34978 1 37 . 1 . 1 3 3 DT H4' H 1 4.220 0.006 . 1 . . . . A 3 DT H4' . 34978 1 38 . 1 . 1 3 3 DT H5' H 1 4.014 0.001 . 1 . . . . A 3 DT H5' . 34978 1 39 . 1 . 1 3 3 DT H5'' H 1 4.014 0.001 . 1 . . . . A 3 DT H5'' . 34978 1 40 . 1 . 1 3 3 DT H6 H 1 7.509 0.005 . 1 . . . . A 3 DT H6 . 34978 1 41 . 1 . 1 3 3 DT H71 H 1 1.771 0.004 . 1 . . . . A 3 DT H71 . 34978 1 42 . 1 . 1 3 3 DT H72 H 1 1.771 0.000 . 1 . . . . A 3 DT H72 . 34978 1 43 . 1 . 1 3 3 DT H73 H 1 1.771 0.000 . 1 . . . . A 3 DT H73 . 34978 1 44 . 1 . 1 3 3 DT C1' C 13 87.246 0.000 . 1 . . . . A 3 DT C1' . 34978 1 45 . 1 . 1 3 3 DT C2' C 13 40.122 0.018 . 1 . . . . A 3 DT C2' . 34978 1 46 . 1 . 1 3 3 DT C3' C 13 77.952 0.000 . 1 . . . . A 3 DT C3' . 34978 1 47 . 1 . 1 3 3 DT C4' C 13 88.812 0.000 . 1 . . . . A 3 DT C4' . 34978 1 48 . 1 . 1 3 3 DT C6 C 13 139.920 0.000 . 1 . . . . A 3 DT C6 . 34978 1 49 . 1 . 1 3 3 DT C7 C 13 14.334 0.000 . 1 . . . . A 3 DT C7 . 34978 1 50 . 1 . 1 4 4 DA H1' H 1 6.344 0.002 . 1 . . . . A 4 DA H1' . 34978 1 51 . 1 . 1 4 4 DA H2 H 1 8.068 0.003 . 1 . . . . A 4 DA H2 . 34978 1 52 . 1 . 1 4 4 DA H2' H 1 2.811 0.003 . 1 . . . . A 4 DA H2' . 34978 1 53 . 1 . 1 4 4 DA H2'' H 1 2.813 0.003 . 1 . . . . A 4 DA H2'' . 34978 1 54 . 1 . 1 4 4 DA H3' H 1 5.024 0.006 . 1 . . . . A 4 DA H3' . 34978 1 55 . 1 . 1 4 4 DA H4' H 1 4.433 0.002 . 1 . . . . A 4 DA H4' . 34978 1 56 . 1 . 1 4 4 DA H5' H 1 4.000 0.002 . 2 . . . . A 4 DA H5' . 34978 1 57 . 1 . 1 4 4 DA H5'' H 1 4.040 0.002 . 2 . . . . A 4 DA H5'' . 34978 1 58 . 1 . 1 4 4 DA H8 H 1 8.081 0.003 . 1 . . . . A 4 DA H8 . 34978 1 59 . 1 . 1 4 4 DA C1' C 13 86.189 0.000 . 1 . . . . A 4 DA C1' . 34978 1 60 . 1 . 1 4 4 DA C2 C 13 155.686 0.000 . 1 . . . . A 4 DA C2 . 34978 1 61 . 1 . 1 4 4 DA C2' C 13 40.036 0.005 . 1 . . . . A 4 DA C2' . 34978 1 62 . 1 . 1 4 4 DA C3' C 13 78.848 0.000 . 1 . . . . A 4 DA C3' . 34978 1 63 . 1 . 1 4 4 DA C4' C 13 86.923 0.000 . 1 . . . . A 4 DA C4' . 34978 1 64 . 1 . 1 4 4 DA C5' C 13 68.148 0.007 . 1 . . . . A 4 DA C5' . 34978 1 65 . 1 . 1 4 4 DA C8 C 13 141.308 0.000 . 1 . . . . A 4 DA C8 . 34978 1 66 . 1 . 1 5 5 DG H1 H 1 12.028 0.007 . 1 . . . . A 5 DG H1 . 34978 1 67 . 1 . 1 5 5 DG H1' H 1 5.991 0.005 . 1 . . . . A 5 DG H1' . 34978 1 68 . 1 . 1 5 5 DG H2' H 1 3.502 0.003 . 1 . . . . A 5 DG H2' . 34978 1 69 . 1 . 1 5 5 DG H2'' H 1 2.908 0.005 . 1 . . . . A 5 DG H2'' . 34978 1 70 . 1 . 1 5 5 DG H3' H 1 5.020 0.003 . 1 . . . . A 5 DG H3' . 34978 1 71 . 1 . 1 5 5 DG H4' H 1 4.427 0.003 . 1 . . . . A 5 DG H4' . 34978 1 72 . 1 . 1 5 5 DG H5' H 1 4.570 0.003 . 1 . . . . A 5 DG H5' . 34978 1 73 . 1 . 1 5 5 DG H5'' H 1 4.124 0.003 . 1 . . . . A 5 DG H5'' . 34978 1 74 . 1 . 1 5 5 DG H8 H 1 7.367 0.005 . 1 . . . . A 5 DG H8 . 34978 1 75 . 1 . 1 5 5 DG C1' C 13 89.714 0.000 . 1 . . . . A 5 DG C1' . 34978 1 76 . 1 . 1 5 5 DG C2' C 13 34.809 0.005 . 1 . . . . A 5 DG C2' . 34978 1 77 . 1 . 1 5 5 DG C3' C 13 81.187 0.000 . 1 . . . . A 5 DG C3' . 34978 1 78 . 1 . 1 5 5 DG C4' C 13 87.414 0.000 . 1 . . . . A 5 DG C4' . 34978 1 79 . 1 . 1 5 5 DG C5' C 13 68.075 0.003 . 1 . . . . A 5 DG C5' . 34978 1 80 . 1 . 1 5 5 DG C8 C 13 142.069 0.000 . 1 . . . . A 5 DG C8 . 34978 1 81 . 1 . 1 6 6 DG H1 H 1 11.701 0.010 . 1 . . . . A 6 DG H1 . 34978 1 82 . 1 . 1 6 6 DG H1' H 1 5.887 0.004 . 1 . . . . A 6 DG H1' . 34978 1 83 . 1 . 1 6 6 DG H2' H 1 2.291 0.003 . 1 . . . . A 6 DG H2' . 34978 1 84 . 1 . 1 6 6 DG H2'' H 1 2.464 0.003 . 1 . . . . A 6 DG H2'' . 34978 1 85 . 1 . 1 6 6 DG H3' H 1 5.029 0.007 . 1 . . . . A 6 DG H3' . 34978 1 86 . 1 . 1 6 6 DG H4' H 1 4.430 0.003 . 1 . . . . A 6 DG H4' . 34978 1 87 . 1 . 1 6 6 DG H5' H 1 4.297 0.002 . 1 . . . . A 6 DG H5' . 34978 1 88 . 1 . 1 6 6 DG H5'' H 1 4.181 0.000 . 1 . . . . A 6 DG H5'' . 34978 1 89 . 1 . 1 6 6 DG H8 H 1 7.787 0.004 . 1 . . . . A 6 DG H8 . 34978 1 90 . 1 . 1 6 6 DG C1' C 13 83.520 0.000 . 1 . . . . A 6 DG C1' . 34978 1 91 . 1 . 1 6 6 DG C2' C 13 40.144 0.005 . 1 . . . . A 6 DG C2' . 34978 1 92 . 1 . 1 6 6 DG C3' C 13 79.402 0.000 . 1 . . . . A 6 DG C3' . 34978 1 93 . 1 . 1 6 6 DG C4' C 13 87.393 0.000 . 1 . . . . A 6 DG C4' . 34978 1 94 . 1 . 1 6 6 DG C8 C 13 137.635 0.000 . 1 . . . . A 6 DG C8 . 34978 1 95 . 1 . 1 7 7 DG H1 H 1 12.736 0.009 . 1 . . . . A 7 DG H1 . 34978 1 96 . 1 . 1 7 7 DG H1' H 1 5.938 0.005 . 1 . . . . A 7 DG H1' . 34978 1 97 . 1 . 1 7 7 DG H2' H 1 2.889 0.004 . 1 . . . . A 7 DG H2' . 34978 1 98 . 1 . 1 7 7 DG H2'' H 1 2.533 0.002 . 1 . . . . A 7 DG H2'' . 34978 1 99 . 1 . 1 7 7 DG H3' H 1 5.065 0.002 . 1 . . . . A 7 DG H3' . 34978 1 100 . 1 . 1 7 7 DG H4' H 1 4.732 0.002 . 1 . . . . A 7 DG H4' . 34978 1 101 . 1 . 1 7 7 DG H8 H 1 8.098 0.003 . 1 . . . . A 7 DG H8 . 34978 1 102 . 1 . 1 7 7 DG H21 H 1 7.327 0.008 . 1 . . . . A 7 DG H21 . 34978 1 103 . 1 . 1 7 7 DG H22 H 1 7.328 0.002 . 1 . . . . A 7 DG H22 . 34978 1 104 . 1 . 1 7 7 DG C1' C 13 84.959 0.000 . 1 . . . . A 7 DG C1' . 34978 1 105 . 1 . 1 7 7 DG C2' C 13 39.977 0.015 . 1 . . . . A 7 DG C2' . 34978 1 106 . 1 . 1 7 7 DG C3' C 13 79.063 0.000 . 1 . . . . A 7 DG C3' . 34978 1 107 . 1 . 1 7 7 DG C4' C 13 87.640 0.000 . 1 . . . . A 7 DG C4' . 34978 1 108 . 1 . 1 7 7 DG C8 C 13 138.865 0.000 . 1 . . . . A 7 DG C8 . 34978 1 109 . 1 . 1 8 8 DT H1' H 1 5.961 0.002 . 1 . . . . A 8 DT H1' . 34978 1 110 . 1 . 1 8 8 DT H2' H 1 1.831 0.002 . 1 . . . . A 8 DT H2' . 34978 1 111 . 1 . 1 8 8 DT H2'' H 1 1.525 0.004 . 1 . . . . A 8 DT H2'' . 34978 1 112 . 1 . 1 8 8 DT H3' H 1 4.522 0.004 . 1 . . . . A 8 DT H3' . 34978 1 113 . 1 . 1 8 8 DT H4' H 1 3.689 0.001 . 1 . . . . A 8 DT H4' . 34978 1 114 . 1 . 1 8 8 DT H5' H 1 3.906 0.004 . 1 . . . . A 8 DT H5' . 34978 1 115 . 1 . 1 8 8 DT H5'' H 1 3.906 0.004 . 1 . . . . A 8 DT H5'' . 34978 1 116 . 1 . 1 8 8 DT H6 H 1 7.581 0.004 . 1 . . . . A 8 DT H6 . 34978 1 117 . 1 . 1 8 8 DT H71 H 1 1.892 0.003 . 1 . . . . A 8 DT H71 . 34978 1 118 . 1 . 1 8 8 DT H72 H 1 1.892 0.000 . 1 . . . . A 8 DT H72 . 34978 1 119 . 1 . 1 8 8 DT H73 H 1 1.892 0.000 . 1 . . . . A 8 DT H73 . 34978 1 120 . 1 . 1 8 8 DT C1' C 13 86.678 0.000 . 1 . . . . A 8 DT C1' . 34978 1 121 . 1 . 1 8 8 DT C2' C 13 40.062 0.000 . 1 . . . . A 8 DT C2' . 34978 1 122 . 1 . 1 8 8 DT C3' C 13 78.029 0.000 . 1 . . . . A 8 DT C3' . 34978 1 123 . 1 . 1 8 8 DT C4' C 13 86.953 0.000 . 1 . . . . A 8 DT C4' . 34978 1 124 . 1 . 1 8 8 DT C5' C 13 67.416 0.003 . 1 . . . . A 8 DT C5' . 34978 1 125 . 1 . 1 8 8 DT C6 C 13 139.590 0.000 . 1 . . . . A 8 DT C6 . 34978 1 126 . 1 . 1 8 8 DT C7 C 13 14.501 0.000 . 1 . . . . A 8 DT C7 . 34978 1 127 . 1 . 1 9 9 DT H1' H 1 5.656 0.003 . 1 . . . . A 9 DT H1' . 34978 1 128 . 1 . 1 9 9 DT H2' H 1 1.837 0.004 . 1 . . . . A 9 DT H2' . 34978 1 129 . 1 . 1 9 9 DT H2'' H 1 2.137 0.003 . 1 . . . . A 9 DT H2'' . 34978 1 130 . 1 . 1 9 9 DT H3' H 1 4.525 0.002 . 1 . . . . A 9 DT H3' . 34978 1 131 . 1 . 1 9 9 DT H4' H 1 3.841 0.003 . 1 . . . . A 9 DT H4' . 34978 1 132 . 1 . 1 9 9 DT H5' H 1 3.230 0.001 . 2 . . . . A 9 DT H5' . 34978 1 133 . 1 . 1 9 9 DT H5'' H 1 3.465 0.002 . 2 . . . . A 9 DT H5'' . 34978 1 134 . 1 . 1 9 9 DT H6 H 1 7.206 0.003 . 1 . . . . A 9 DT H6 . 34978 1 135 . 1 . 1 9 9 DT H71 H 1 1.378 0.003 . 1 . . . . A 9 DT H71 . 34978 1 136 . 1 . 1 9 9 DT H72 H 1 1.378 0.000 . 1 . . . . A 9 DT H72 . 34978 1 137 . 1 . 1 9 9 DT H73 H 1 1.378 0.000 . 1 . . . . A 9 DT H73 . 34978 1 138 . 1 . 1 9 9 DT C1' C 13 87.528 0.000 . 1 . . . . A 9 DT C1' . 34978 1 139 . 1 . 1 9 9 DT C2' C 13 41.588 0.009 . 1 . . . . A 9 DT C2' . 34978 1 140 . 1 . 1 9 9 DT C3' C 13 79.103 0.000 . 1 . . . . A 9 DT C3' . 34978 1 141 . 1 . 1 9 9 DT C4' C 13 86.781 0.000 . 1 . . . . A 9 DT C4' . 34978 1 142 . 1 . 1 9 9 DT C5' C 13 68.026 0.005 . 1 . . . . A 9 DT C5' . 34978 1 143 . 1 . 1 9 9 DT C6 C 13 139.269 0.000 . 1 . . . . A 9 DT C6 . 34978 1 144 . 1 . 1 9 9 DT C7 C 13 14.209 0.000 . 1 . . . . A 9 DT C7 . 34978 1 145 . 1 . 1 10 10 DA H1' H 1 6.259 0.002 . 1 . . . . A 10 DA H1' . 34978 1 146 . 1 . 1 10 10 DA H2 H 1 7.981 0.004 . 1 . . . . A 10 DA H2 . 34978 1 147 . 1 . 1 10 10 DA H2' H 1 2.294 0.003 . 1 . . . . A 10 DA H2' . 34978 1 148 . 1 . 1 10 10 DA H2'' H 1 3.111 0.002 . 1 . . . . A 10 DA H2'' . 34978 1 149 . 1 . 1 10 10 DA H3' H 1 4.800 0.007 . 1 . . . . A 10 DA H3' . 34978 1 150 . 1 . 1 10 10 DA H4' H 1 4.297 0.002 . 1 . . . . A 10 DA H4' . 34978 1 151 . 1 . 1 10 10 DA H5' H 1 3.907 0.005 . 1 . . . . A 10 DA H5' . 34978 1 152 . 1 . 1 10 10 DA H5'' H 1 3.763 0.001 . 1 . . . . A 10 DA H5'' . 34978 1 153 . 1 . 1 10 10 DA H8 H 1 8.284 0.005 . 1 . . . . A 10 DA H8 . 34978 1 154 . 1 . 1 10 10 DA C1' C 13 85.814 0.000 . 1 . . . . A 10 DA C1' . 34978 1 155 . 1 . 1 10 10 DA C2 C 13 155.632 0.000 . 1 . . . . A 10 DA C2 . 34978 1 156 . 1 . 1 10 10 DA C2' C 13 38.563 0.005 . 1 . . . . A 10 DA C2' . 34978 1 157 . 1 . 1 10 10 DA C3' C 13 80.211 0.000 . 1 . . . . A 10 DA C3' . 34978 1 158 . 1 . 1 10 10 DA C4' C 13 88.307 0.000 . 1 . . . . A 10 DA C4' . 34978 1 159 . 1 . 1 10 10 DA C5' C 13 69.357 0.000 . 1 . . . . A 10 DA C5' . 34978 1 160 . 1 . 1 10 10 DA C8 C 13 141.487 0.000 . 1 . . . . A 10 DA C8 . 34978 1 161 . 1 . 1 11 11 BGM H1 H 1 12.098 0.007 . 1 . . . . A 11 BGM H1 . 34978 1 162 . 1 . 1 11 11 BGM H1' H 1 5.782 0.001 . 1 . . . . A 11 BGM H1' . 34978 1 163 . 1 . 1 11 11 BGM H2' H 1 3.487 0.003 . 1 . . . . A 11 BGM H2' . 34978 1 164 . 1 . 1 11 11 BGM H2'' H 1 2.718 0.003 . 1 . . . . A 11 BGM H2'' . 34978 1 165 . 1 . 1 11 11 BGM H3' H 1 4.967 0.004 . 1 . . . . A 11 BGM H3' . 34978 1 166 . 1 . 1 11 11 BGM H4' H 1 4.364 0.001 . 1 . . . . A 11 BGM H4' . 34978 1 167 . 1 . 1 11 11 BGM H5' H 1 4.178 0.004 . 2 . . . . A 11 BGM H5' . 34978 1 168 . 1 . 1 11 11 BGM H5'' H 1 4.298 0.003 . 2 . . . . A 11 BGM H5'' . 34978 1 169 . 1 . 1 11 11 BGM C1' C 13 88.910 0.000 . 1 . . . . A 11 BGM C1' . 34978 1 170 . 1 . 1 11 11 BGM C2' C 13 35.559 0.011 . 1 . . . . A 11 BGM C2' . 34978 1 171 . 1 . 1 11 11 BGM C3' C 13 79.475 0.000 . 1 . . . . A 11 BGM C3' . 34978 1 172 . 1 . 1 11 11 BGM C4' C 13 87.105 0.000 . 1 . . . . A 11 BGM C4' . 34978 1 173 . 1 . 1 11 11 BGM C5' C 13 65.982 0.002 . 1 . . . . A 11 BGM C5' . 34978 1 174 . 1 . 1 12 12 DG H1 H 1 12.010 0.010 . 1 . . . . A 12 DG H1 . 34978 1 175 . 1 . 1 12 12 DG H1' H 1 5.754 0.008 . 1 . . . . A 12 DG H1' . 34978 1 176 . 1 . 1 12 12 DG H2' H 1 2.101 0.002 . 1 . . . . A 12 DG H2' . 34978 1 177 . 1 . 1 12 12 DG H2'' H 1 2.475 0.004 . 1 . . . . A 12 DG H2'' . 34978 1 178 . 1 . 1 12 12 DG H3' H 1 5.029 0.005 . 1 . . . . A 12 DG H3' . 34978 1 179 . 1 . 1 12 12 DG H4' H 1 4.187 0.001 . 1 . . . . A 12 DG H4' . 34978 1 180 . 1 . 1 12 12 DG H8 H 1 7.792 0.004 . 1 . . . . A 12 DG H8 . 34978 1 181 . 1 . 1 12 12 DG C1' C 13 83.342 0.000 . 1 . . . . A 12 DG C1' . 34978 1 182 . 1 . 1 12 12 DG C2' C 13 40.993 0.010 . 1 . . . . A 12 DG C2' . 34978 1 183 . 1 . 1 12 12 DG C4' C 13 85.429 0.000 . 1 . . . . A 12 DG C4' . 34978 1 184 . 1 . 1 12 12 DG C8 C 13 137.874 0.000 . 1 . . . . A 12 DG C8 . 34978 1 185 . 1 . 1 13 13 DG H1 H 1 10.918 0.007 . 1 . . . . A 13 DG H1 . 34978 1 186 . 1 . 1 13 13 DG H1' H 1 5.987 0.003 . 1 . . . . A 13 DG H1' . 34978 1 187 . 1 . 1 13 13 DG H2' H 1 2.913 0.002 . 1 . . . . A 13 DG H2' . 34978 1 188 . 1 . 1 13 13 DG H2'' H 1 2.307 0.003 . 1 . . . . A 13 DG H2'' . 34978 1 189 . 1 . 1 13 13 DG H3' H 1 5.046 0.003 . 1 . . . . A 13 DG H3' . 34978 1 190 . 1 . 1 13 13 DG H4' H 1 4.335 0.002 . 1 . . . . A 13 DG H4' . 34978 1 191 . 1 . 1 13 13 DG H5' H 1 4.188 0.001 . 1 . . . . A 13 DG H5' . 34978 1 192 . 1 . 1 13 13 DG H5'' H 1 4.186 0.002 . 1 . . . . A 13 DG H5'' . 34978 1 193 . 1 . 1 13 13 DG H8 H 1 7.856 0.003 . 1 . . . . A 13 DG H8 . 34978 1 194 . 1 . 1 13 13 DG C1' C 13 83.623 0.000 . 1 . . . . A 13 DG C1' . 34978 1 195 . 1 . 1 13 13 DG C2' C 13 40.168 0.010 . 1 . . . . A 13 DG C2' . 34978 1 196 . 1 . 1 13 13 DG C3' C 13 77.631 0.000 . 1 . . . . A 13 DG C3' . 34978 1 197 . 1 . 1 13 13 DG C4' C 13 87.125 0.000 . 1 . . . . A 13 DG C4' . 34978 1 198 . 1 . 1 13 13 DG C5' C 13 67.485 0.000 . 1 . . . . A 13 DG C5' . 34978 1 199 . 1 . 1 13 13 DG C8 C 13 139.970 0.000 . 1 . . . . A 13 DG C8 . 34978 1 200 . 1 . 1 14 14 DT H1' H 1 5.923 0.004 . 1 . . . . A 14 DT H1' . 34978 1 201 . 1 . 1 14 14 DT H2' H 1 1.836 0.008 . 1 . . . . A 14 DT H2' . 34978 1 202 . 1 . 1 14 14 DT H2'' H 1 2.317 0.003 . 1 . . . . A 14 DT H2'' . 34978 1 203 . 1 . 1 14 14 DT H3' H 1 4.733 0.002 . 1 . . . . A 14 DT H3' . 34978 1 204 . 1 . 1 14 14 DT H4' H 1 4.210 0.005 . 1 . . . . A 14 DT H4' . 34978 1 205 . 1 . 1 14 14 DT H5' H 1 4.049 0.001 . 2 . . . . A 14 DT H5' . 34978 1 206 . 1 . 1 14 14 DT H5'' H 1 4.114 0.003 . 2 . . . . A 14 DT H5'' . 34978 1 207 . 1 . 1 14 14 DT H6 H 1 7.569 0.004 . 1 . . . . A 14 DT H6 . 34978 1 208 . 1 . 1 14 14 DT H71 H 1 1.815 0.006 . 1 . . . . A 14 DT H71 . 34978 1 209 . 1 . 1 14 14 DT H72 H 1 1.815 0.000 . 1 . . . . A 14 DT H72 . 34978 1 210 . 1 . 1 14 14 DT H73 H 1 1.815 0.000 . 1 . . . . A 14 DT H73 . 34978 1 211 . 1 . 1 14 14 DT C1' C 13 87.572 0.000 . 1 . . . . A 14 DT C1' . 34978 1 212 . 1 . 1 14 14 DT C2' C 13 40.510 0.009 . 1 . . . . A 14 DT C2' . 34978 1 213 . 1 . 1 14 14 DT C3' C 13 78.071 0.000 . 1 . . . . A 14 DT C3' . 34978 1 214 . 1 . 1 14 14 DT C4' C 13 87.559 0.000 . 1 . . . . A 14 DT C4' . 34978 1 215 . 1 . 1 14 14 DT C5' C 13 66.960 0.004 . 1 . . . . A 14 DT C5' . 34978 1 216 . 1 . 1 14 14 DT C6 C 13 139.154 0.000 . 1 . . . . A 14 DT C6 . 34978 1 217 . 1 . 1 14 14 DT C7 C 13 14.385 0.000 . 1 . . . . A 14 DT C7 . 34978 1 218 . 1 . 1 15 15 DT H1' H 1 5.614 0.005 . 1 . . . . A 15 DT H1' . 34978 1 219 . 1 . 1 15 15 DT H2' H 1 1.217 0.002 . 1 . . . . A 15 DT H2' . 34978 1 220 . 1 . 1 15 15 DT H2'' H 1 1.662 0.005 . 1 . . . . A 15 DT H2'' . 34978 1 221 . 1 . 1 15 15 DT H3' H 1 4.528 0.001 . 1 . . . . A 15 DT H3' . 34978 1 222 . 1 . 1 15 15 DT H4' H 1 3.911 0.002 . 1 . . . . A 15 DT H4' . 34978 1 223 . 1 . 1 15 15 DT H5' H 1 3.830 0.003 . 1 . . . . A 15 DT H5' . 34978 1 224 . 1 . 1 15 15 DT H5'' H 1 3.829 0.002 . 1 . . . . A 15 DT H5'' . 34978 1 225 . 1 . 1 15 15 DT H6 H 1 6.900 0.003 . 1 . . . . A 15 DT H6 . 34978 1 226 . 1 . 1 15 15 DT H71 H 1 0.987 0.004 . 1 . . . . A 15 DT H71 . 34978 1 227 . 1 . 1 15 15 DT H72 H 1 0.987 0.000 . 1 . . . . A 15 DT H72 . 34978 1 228 . 1 . 1 15 15 DT H73 H 1 0.987 0.000 . 1 . . . . A 15 DT H73 . 34978 1 229 . 1 . 1 15 15 DT C1' C 13 85.963 0.000 . 1 . . . . A 15 DT C1' . 34978 1 230 . 1 . 1 15 15 DT C2' C 13 38.677 0.013 . 1 . . . . A 15 DT C2' . 34978 1 231 . 1 . 1 15 15 DT C3' C 13 78.409 0.000 . 1 . . . . A 15 DT C3' . 34978 1 232 . 1 . 1 15 15 DT C4' C 13 86.357 0.000 . 1 . . . . A 15 DT C4' . 34978 1 233 . 1 . 1 15 15 DT C5' C 13 67.268 0.005 . 1 . . . . A 15 DT C5' . 34978 1 234 . 1 . 1 15 15 DT C6 C 13 138.538 0.000 . 1 . . . . A 15 DT C6 . 34978 1 235 . 1 . 1 15 15 DT C7 C 13 13.433 0.000 . 1 . . . . A 15 DT C7 . 34978 1 236 . 1 . 1 16 16 DA H1' H 1 5.839 0.008 . 1 . . . . A 16 DA H1' . 34978 1 237 . 1 . 1 16 16 DA H2 H 1 7.193 0.003 . 1 . . . . A 16 DA H2 . 34978 1 238 . 1 . 1 16 16 DA H2' H 1 2.097 0.001 . 1 . . . . A 16 DA H2' . 34978 1 239 . 1 . 1 16 16 DA H2'' H 1 2.274 0.002 . 1 . . . . A 16 DA H2'' . 34978 1 240 . 1 . 1 16 16 DA H3' H 1 4.752 0.002 . 1 . . . . A 16 DA H3' . 34978 1 241 . 1 . 1 16 16 DA H4' H 1 4.147 0.002 . 1 . . . . A 16 DA H4' . 34978 1 242 . 1 . 1 16 16 DA H5' H 1 3.851 0.004 . 2 . . . . A 16 DA H5' . 34978 1 243 . 1 . 1 16 16 DA H5'' H 1 3.727 0.001 . 2 . . . . A 16 DA H5'' . 34978 1 244 . 1 . 1 16 16 DA H8 H 1 7.636 0.003 . 1 . . . . A 16 DA H8 . 34978 1 245 . 1 . 1 16 16 DA C1' C 13 84.964 0.000 . 1 . . . . A 16 DA C1' . 34978 1 246 . 1 . 1 16 16 DA C2 C 13 154.569 0.000 . 1 . . . . A 16 DA C2 . 34978 1 247 . 1 . 1 16 16 DA C2' C 13 37.806 0.015 . 1 . . . . A 16 DA C2' . 34978 1 248 . 1 . 1 16 16 DA C3' C 13 79.894 0.000 . 1 . . . . A 16 DA C3' . 34978 1 249 . 1 . 1 16 16 DA C4' C 13 87.498 0.000 . 1 . . . . A 16 DA C4' . 34978 1 250 . 1 . 1 16 16 DA C5' C 13 67.828 0.000 . 1 . . . . A 16 DA C5' . 34978 1 251 . 1 . 1 16 16 DA C8 C 13 140.829 0.000 . 1 . . . . A 16 DA C8 . 34978 1 252 . 1 . 1 17 17 DG H1 H 1 10.416 0.008 . 1 . . . . A 17 DG H1 . 34978 1 253 . 1 . 1 17 17 DG H1' H 1 5.814 0.011 . 1 . . . . A 17 DG H1' . 34978 1 254 . 1 . 1 17 17 DG H2' H 1 2.782 0.008 . 1 . . . . A 17 DG H2' . 34978 1 255 . 1 . 1 17 17 DG H2'' H 1 2.641 0.004 . 1 . . . . A 17 DG H2'' . 34978 1 256 . 1 . 1 17 17 DG H3' H 1 5.027 0.001 . 1 . . . . A 17 DG H3' . 34978 1 257 . 1 . 1 17 17 DG H4' H 1 4.470 0.002 . 1 . . . . A 17 DG H4' . 34978 1 258 . 1 . 1 17 17 DG H8 H 1 7.910 0.004 . 1 . . . . A 17 DG H8 . 34978 1 259 . 1 . 1 17 17 DG C1' C 13 85.241 0.000 . 1 . . . . A 17 DG C1' . 34978 1 260 . 1 . 1 17 17 DG C2' C 13 39.812 0.009 . 1 . . . . A 17 DG C2' . 34978 1 261 . 1 . 1 17 17 DG C3' C 13 76.465 0.000 . 1 . . . . A 17 DG C3' . 34978 1 262 . 1 . 1 17 17 DG C4' C 13 87.760 0.000 . 1 . . . . A 17 DG C4' . 34978 1 263 . 1 . 1 17 17 DG C8 C 13 138.168 0.000 . 1 . . . . A 17 DG C8 . 34978 1 264 . 1 . 1 18 18 DG H1 H 1 11.513 0.008 . 1 . . . . A 18 DG H1 . 34978 1 265 . 1 . 1 18 18 DG H1' H 1 5.735 0.004 . 1 . . . . A 18 DG H1' . 34978 1 266 . 1 . 1 18 18 DG H2' H 1 3.367 0.006 . 1 . . . . A 18 DG H2' . 34978 1 267 . 1 . 1 18 18 DG H2'' H 1 2.742 0.002 . 1 . . . . A 18 DG H2'' . 34978 1 268 . 1 . 1 18 18 DG H3' H 1 4.997 0.004 . 1 . . . . A 18 DG H3' . 34978 1 269 . 1 . 1 18 18 DG H4' H 1 4.228 0.002 . 1 . . . . A 18 DG H4' . 34978 1 270 . 1 . 1 18 18 DG H8 H 1 6.870 0.004 . 1 . . . . A 18 DG H8 . 34978 1 271 . 1 . 1 18 18 DG C1' C 13 89.130 0.000 . 1 . . . . A 18 DG C1' . 34978 1 272 . 1 . 1 18 18 DG C2' C 13 34.714 0.009 . 1 . . . . A 18 DG C2' . 34978 1 273 . 1 . 1 18 18 DG C4' C 13 86.660 0.000 . 1 . . . . A 18 DG C4' . 34978 1 274 . 1 . 1 18 18 DG C8 C 13 140.752 0.000 . 1 . . . . A 18 DG C8 . 34978 1 275 . 1 . 1 19 19 DG H1 H 1 11.672 0.009 . 1 . . . . A 19 DG H1 . 34978 1 276 . 1 . 1 19 19 DG H1' H 1 5.858 0.004 . 1 . . . . A 19 DG H1' . 34978 1 277 . 1 . 1 19 19 DG H2' H 1 2.528 0.003 . 1 . . . . A 19 DG H2' . 34978 1 278 . 1 . 1 19 19 DG H2'' H 1 2.619 0.003 . 1 . . . . A 19 DG H2'' . 34978 1 279 . 1 . 1 19 19 DG H3' H 1 5.159 0.003 . 1 . . . . A 19 DG H3' . 34978 1 280 . 1 . 1 19 19 DG H4' H 1 4.291 0.002 . 1 . . . . A 19 DG H4' . 34978 1 281 . 1 . 1 19 19 DG H5' H 1 4.230 0.004 . 1 . . . . A 19 DG H5' . 34978 1 282 . 1 . 1 19 19 DG H5'' H 1 4.230 0.004 . 1 . . . . A 19 DG H5'' . 34978 1 283 . 1 . 1 19 19 DG H8 H 1 7.193 0.003 . 1 . . . . A 19 DG H8 . 34978 1 284 . 1 . 1 19 19 DG C1' C 13 83.552 0.000 . 1 . . . . A 19 DG C1' . 34978 1 285 . 1 . 1 19 19 DG C2' C 13 42.300 0.009 . 1 . . . . A 19 DG C2' . 34978 1 286 . 1 . 1 19 19 DG C3' C 13 77.447 0.000 . 1 . . . . A 19 DG C3' . 34978 1 287 . 1 . 1 19 19 DG C4' C 13 86.937 0.000 . 1 . . . . A 19 DG C4' . 34978 1 288 . 1 . 1 19 19 DG C5' C 13 66.759 0.003 . 1 . . . . A 19 DG C5' . 34978 1 289 . 1 . 1 19 19 DG C8 C 13 137.068 0.000 . 1 . . . . A 19 DG C8 . 34978 1 290 . 1 . 1 20 20 DT H1' H 1 6.405 0.003 . 1 . . . . A 20 DT H1' . 34978 1 291 . 1 . 1 20 20 DT H2' H 1 2.421 0.003 . 1 . . . . A 20 DT H2' . 34978 1 292 . 1 . 1 20 20 DT H2'' H 1 2.524 0.002 . 1 . . . . A 20 DT H2'' . 34978 1 293 . 1 . 1 20 20 DT H3' H 1 5.001 0.003 . 1 . . . . A 20 DT H3' . 34978 1 294 . 1 . 1 20 20 DT H4' H 1 4.526 0.001 . 1 . . . . A 20 DT H4' . 34978 1 295 . 1 . 1 20 20 DT H5' H 1 4.221 0.001 . 2 . . . . A 20 DT H5' . 34978 1 296 . 1 . 1 20 20 DT H5'' H 1 4.369 0.002 . 2 . . . . A 20 DT H5'' . 34978 1 297 . 1 . 1 20 20 DT H6 H 1 7.978 0.011 . 1 . . . . A 20 DT H6 . 34978 1 298 . 1 . 1 20 20 DT H71 H 1 2.064 0.003 . 1 . . . . A 20 DT H71 . 34978 1 299 . 1 . 1 20 20 DT H72 H 1 2.064 0.000 . 1 . . . . A 20 DT H72 . 34978 1 300 . 1 . 1 20 20 DT H73 H 1 2.064 0.000 . 1 . . . . A 20 DT H73 . 34978 1 301 . 1 . 1 20 20 DT C1' C 13 88.684 0.000 . 1 . . . . A 20 DT C1' . 34978 1 302 . 1 . 1 20 20 DT C2' C 13 41.961 0.007 . 1 . . . . A 20 DT C2' . 34978 1 303 . 1 . 1 20 20 DT C3' C 13 80.043 0.000 . 1 . . . . A 20 DT C3' . 34978 1 304 . 1 . 1 20 20 DT C4' C 13 87.942 0.000 . 1 . . . . A 20 DT C4' . 34978 1 305 . 1 . 1 20 20 DT C5' C 13 68.227 0.004 . 1 . . . . A 20 DT C5' . 34978 1 306 . 1 . 1 20 20 DT C6 C 13 140.074 0.000 . 1 . . . . A 20 DT C6 . 34978 1 307 . 1 . 1 20 20 DT C7 C 13 14.661 0.000 . 1 . . . . A 20 DT C7 . 34978 1 308 . 1 . 1 21 21 DT H1' H 1 5.893 0.003 . 1 . . . . A 21 DT H1' . 34978 1 309 . 1 . 1 21 21 DT H2' H 1 1.487 0.002 . 1 . . . . A 21 DT H2' . 34978 1 310 . 1 . 1 21 21 DT H2'' H 1 2.010 0.003 . 1 . . . . A 21 DT H2'' . 34978 1 311 . 1 . 1 21 21 DT H3' H 1 4.829 0.003 . 1 . . . . A 21 DT H3' . 34978 1 312 . 1 . 1 21 21 DT H4' H 1 4.269 0.002 . 1 . . . . A 21 DT H4' . 34978 1 313 . 1 . 1 21 21 DT H5' H 1 4.048 0.002 . 2 . . . . A 21 DT H5' . 34978 1 314 . 1 . 1 21 21 DT H5'' H 1 3.889 0.003 . 2 . . . . A 21 DT H5'' . 34978 1 315 . 1 . 1 21 21 DT H6 H 1 7.535 0.004 . 1 . . . . A 21 DT H6 . 34978 1 316 . 1 . 1 21 21 DT H71 H 1 1.753 0.004 . 1 . . . . A 21 DT H71 . 34978 1 317 . 1 . 1 21 21 DT H72 H 1 1.753 0.000 . 1 . . . . A 21 DT H72 . 34978 1 318 . 1 . 1 21 21 DT H73 H 1 1.753 0.000 . 1 . . . . A 21 DT H73 . 34978 1 319 . 1 . 1 21 21 DT C1' C 13 87.802 0.000 . 1 . . . . A 21 DT C1' . 34978 1 320 . 1 . 1 21 21 DT C2' C 13 40.781 0.005 . 1 . . . . A 21 DT C2' . 34978 1 321 . 1 . 1 21 21 DT C3' C 13 80.482 0.000 . 1 . . . . A 21 DT C3' . 34978 1 322 . 1 . 1 21 21 DT C4' C 13 87.965 0.000 . 1 . . . . A 21 DT C4' . 34978 1 323 . 1 . 1 21 21 DT C5' C 13 68.228 0.005 . 1 . . . . A 21 DT C5' . 34978 1 324 . 1 . 1 21 21 DT C6 C 13 139.029 0.000 . 1 . . . . A 21 DT C6 . 34978 1 325 . 1 . 1 21 21 DT C7 C 13 14.376 0.000 . 1 . . . . A 21 DT C7 . 34978 1 326 . 1 . 1 22 22 DA H1' H 1 6.263 0.002 . 1 . . . . A 22 DA H1' . 34978 1 327 . 1 . 1 22 22 DA H2 H 1 8.325 0.003 . 1 . . . . A 22 DA H2 . 34978 1 328 . 1 . 1 22 22 DA H2' H 1 2.872 0.003 . 1 . . . . A 22 DA H2' . 34978 1 329 . 1 . 1 22 22 DA H2'' H 1 2.734 0.003 . 1 . . . . A 22 DA H2'' . 34978 1 330 . 1 . 1 22 22 DA H3' H 1 5.050 0.001 . 1 . . . . A 22 DA H3' . 34978 1 331 . 1 . 1 22 22 DA H4' H 1 4.414 0.003 . 1 . . . . A 22 DA H4' . 34978 1 332 . 1 . 1 22 22 DA H5' H 1 3.891 0.005 . 2 . . . . A 22 DA H5' . 34978 1 333 . 1 . 1 22 22 DA H5'' H 1 4.058 0.004 . 2 . . . . A 22 DA H5'' . 34978 1 334 . 1 . 1 22 22 DA H8 H 1 8.227 0.002 . 1 . . . . A 22 DA H8 . 34978 1 335 . 1 . 1 22 22 DA C1' C 13 85.113 0.000 . 1 . . . . A 22 DA C1' . 34978 1 336 . 1 . 1 22 22 DA C2 C 13 156.210 0.000 . 1 . . . . A 22 DA C2 . 34978 1 337 . 1 . 1 22 22 DA C2' C 13 39.825 0.010 . 1 . . . . A 22 DA C2' . 34978 1 338 . 1 . 1 22 22 DA C3' C 13 78.688 0.000 . 1 . . . . A 22 DA C3' . 34978 1 339 . 1 . 1 22 22 DA C4' C 13 87.479 0.000 . 1 . . . . A 22 DA C4' . 34978 1 340 . 1 . 1 22 22 DA C5' C 13 67.826 0.010 . 1 . . . . A 22 DA C5' . 34978 1 341 . 1 . 1 22 22 DA C8 C 13 140.912 0.000 . 1 . . . . A 22 DA C8 . 34978 1 342 . 1 . 1 23 23 DG H1 H 1 11.790 0.008 . 1 . . . . A 23 DG H1 . 34978 1 343 . 1 . 1 23 23 DG H1' H 1 5.918 0.003 . 1 . . . . A 23 DG H1' . 34978 1 344 . 1 . 1 23 23 DG H2' H 1 3.393 0.006 . 1 . . . . A 23 DG H2' . 34978 1 345 . 1 . 1 23 23 DG H2'' H 1 2.791 0.001 . 1 . . . . A 23 DG H2'' . 34978 1 346 . 1 . 1 23 23 DG H3' H 1 4.992 0.002 . 1 . . . . A 23 DG H3' . 34978 1 347 . 1 . 1 23 23 DG H4' H 1 4.379 0.002 . 1 . . . . A 23 DG H4' . 34978 1 348 . 1 . 1 23 23 DG H5' H 1 4.201 0.000 . 2 . . . . A 23 DG H5' . 34978 1 349 . 1 . 1 23 23 DG H5'' H 1 4.199 0.000 . 2 . . . . A 23 DG H5'' . 34978 1 350 . 1 . 1 23 23 DG H8 H 1 7.353 0.004 . 1 . . . . A 23 DG H8 . 34978 1 351 . 1 . 1 23 23 DG C1' C 13 89.542 0.000 . 1 . . . . A 23 DG C1' . 34978 1 352 . 1 . 1 23 23 DG C2' C 13 35.370 0.000 . 1 . . . . A 23 DG C2' . 34978 1 353 . 1 . 1 23 23 DG C3' C 13 80.914 0.000 . 1 . . . . A 23 DG C3' . 34978 1 354 . 1 . 1 23 23 DG C4' C 13 87.701 0.000 . 1 . . . . A 23 DG C4' . 34978 1 355 . 1 . 1 23 23 DG C8 C 13 142.028 0.000 . 1 . . . . A 23 DG C8 . 34978 1 356 . 1 . 1 24 24 DG H1 H 1 11.546 0.009 . 1 . . . . A 24 DG H1 . 34978 1 357 . 1 . 1 24 24 DG H1' H 1 5.987 0.003 . 1 . . . . A 24 DG H1' . 34978 1 358 . 1 . 1 24 24 DG H2' H 1 2.424 0.005 . 1 . . . . A 24 DG H2' . 34978 1 359 . 1 . 1 24 24 DG H2'' H 1 2.459 0.001 . 1 . . . . A 24 DG H2'' . 34978 1 360 . 1 . 1 24 24 DG H3' H 1 4.731 0.003 . 1 . . . . A 24 DG H3' . 34978 1 361 . 1 . 1 24 24 DG H4' H 1 4.259 0.005 . 1 . . . . A 24 DG H4' . 34978 1 362 . 1 . 1 24 24 DG H8 H 1 7.432 0.004 . 1 . . . . A 24 DG H8 . 34978 1 363 . 1 . 1 24 24 DG H21 H 1 7.412 0.004 . 1 . . . . A 24 DG H21 . 34978 1 364 . 1 . 1 24 24 DG H22 H 1 8.069 0.000 . 1 . . . . A 24 DG H22 . 34978 1 365 . 1 . 1 24 24 DG C1' C 13 85.690 0.000 . 1 . . . . A 24 DG C1' . 34978 1 366 . 1 . 1 24 24 DG C2' C 13 42.365 0.000 . 1 . . . . A 24 DG C2' . 34978 1 367 . 1 . 1 24 24 DG C3' C 13 73.332 0.000 . 1 . . . . A 24 DG C3' . 34978 1 368 . 1 . 1 24 24 DG C4' C 13 86.657 0.000 . 1 . . . . A 24 DG C4' . 34978 1 369 . 1 . 1 24 24 DG C8 C 13 139.428 0.000 . 1 . . . . A 24 DG C8 . 34978 1 stop_ save_