data_34083 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34083 _Entry.Title ; G-quadruplex formed within promoters of Plasmodium falciparum B var genes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-09 _Entry.Accession_date 2017-01-09 _Entry.Last_release_date 2018-02-20 _Entry.Original_release_date 2018-02-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34083 stop_ 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 M. 'Juribasic Kulcsar' M. . . . 34083 2 J. Plavec J. . . . 34083 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34083 G-quadruplex . 34083 'NMR spectroscopy' . 34083 'long loop' . 34083 malaria . 34083 'nucleic acid' . 34083 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34083 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 301 34083 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 . . 2018-02-23 . original BMRB . 34083 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MTA . 34083 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34083 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Stabilizing interactions in long-loop G-quadruplex formed within promoters of Plasmodium falciparum B var genes ; _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 M. 'Juribasic Kulcsar' M. . . . 34083 1 2 V. Gabelica V. . . . 34083 1 3 J. Plavec J. . . . 34083 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34083 _Assembly.ID 1 _Assembly.Name 'UpsB-Q-1, DNA (34-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 entity_1 1 $entity_1 A A yes . . . . . . 34083 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34083 _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 ; CAGGGTTAAGGGTATAACTT TAGGGGTTAGGGTT ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 34 _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 10664.855 _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 . DC . 34083 1 2 . DA . 34083 1 3 . DG . 34083 1 4 . DG . 34083 1 5 . DG . 34083 1 6 . DT . 34083 1 7 . DT . 34083 1 8 . DA . 34083 1 9 . DA . 34083 1 10 . DG . 34083 1 11 . DG . 34083 1 12 . DG . 34083 1 13 . DT . 34083 1 14 . DA . 34083 1 15 . DT . 34083 1 16 . DA . 34083 1 17 . DA . 34083 1 18 . DC . 34083 1 19 . DT . 34083 1 20 . DT . 34083 1 21 . DT . 34083 1 22 . DA . 34083 1 23 . DG . 34083 1 24 . DG . 34083 1 25 . DG . 34083 1 26 . DG . 34083 1 27 . DT . 34083 1 28 . DT . 34083 1 29 . DA . 34083 1 30 . DG . 34083 1 31 . DG . 34083 1 32 . DG . 34083 1 33 . DT . 34083 1 34 . DT . 34083 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 . DC 1 1 34083 1 . DA 2 2 34083 1 . DG 3 3 34083 1 . DG 4 4 34083 1 . DG 5 5 34083 1 . DT 6 6 34083 1 . DT 7 7 34083 1 . DA 8 8 34083 1 . DA 9 9 34083 1 . DG 10 10 34083 1 . DG 11 11 34083 1 . DG 12 12 34083 1 . DT 13 13 34083 1 . DA 14 14 34083 1 . DT 15 15 34083 1 . DA 16 16 34083 1 . DA 17 17 34083 1 . DC 18 18 34083 1 . DT 19 19 34083 1 . DT 20 20 34083 1 . DT 21 21 34083 1 . DA 22 22 34083 1 . DG 23 23 34083 1 . DG 24 24 34083 1 . DG 25 25 34083 1 . DG 26 26 34083 1 . DT 27 27 34083 1 . DT 28 28 34083 1 . DA 29 29 34083 1 . DG 30 30 34083 1 . DG 31 31 34083 1 . DG 32 32 34083 1 . DT 33 33 34083 1 . DT 34 34 34083 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 34083 _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 . 5833 organism . 'Plasmodium falciparum' 'malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . 34083 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 34083 _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' . . . . . . . . . . . . . . . . 34083 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34083 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM UpsB-Q-1, DNA (34-MER), 150 mM potassium chloride, 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 'UpsB-Q-1, DNA (34-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 1.6 . . mM . . . . 34083 1 2 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34083 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34083 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.8 mM UpsB-Q-1, DNA (34-MER), 150 mM potassium chloride, 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 'UpsB-Q-1, DNA (34-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 1.8 . . mM . . . . 34083 2 2 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34083 2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34083 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM 8% 13C, 8% 15N UpsB-Q-1, DNA (34-MER), 150 mM potassium chloride, 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 'UpsB-Q-1, DNA (34-MER)' '8% 13C, 8% 15N' 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 34083 3 2 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34083 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 34083 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34083 1 pH 7.0 . pH 34083 1 pressure 1 . atm 34083 1 temperature 308 . K 34083 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34083 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34083 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34083 1 collection 34083 1 processing 34083 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34083 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34083 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 34083 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34083 _Software.ID 3 _Software.Type . _Software.Name AMBER _Software.Version . _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' . . 34083 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34083 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 34083 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent-Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34083 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent-Varian _NMR_spectrometer.Model 'Uniform NMR System' _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 34083 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Agilent-Varian 'Uniform NMR System' . 800 . . . 34083 1 2 NMR_spectrometer_2 Agilent-Varian 'Uniform NMR System' . 600 . . . 34083 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 34083 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34083 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34083 1 3 '2D 1H-13C HMBC' no . . . . . . . . . . 1 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34083 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34083 1 5 '1D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34083 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 34083 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 34083 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 34083 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 34083 1 2 '2D 1H-1H NOESY' . . . 34083 1 3 '2D 1H-13C HMBC' . . . 34083 1 4 '2D 1H-15N HSQC' . . . 34083 1 5 '1D 1H-15N HSQC' . . . 34083 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 DC H1' H 1 5.388 0.001 9 1 . . . . A 1 DC H1' . 34083 1 2 . 1 1 1 1 DC H2' H 1 1.424 0.003 8 1 . . . . A 1 DC H2' . 34083 1 3 . 1 1 1 1 DC H2'' H 1 2.19 0.002 7 1 . . . . A 1 DC H2'' . 34083 1 4 . 1 1 1 1 DC H3' H 1 4.428 0.001 8 1 . . . . A 1 DC H3' . 34083 1 5 . 1 1 1 1 DC H4' H 1 3.764 0 7 1 . . . . A 1 DC H4' . 34083 1 6 . 1 1 1 1 DC H5 H 1 5.229 0.002 9 1 . . . . A 1 DC H5 . 34083 1 7 . 1 1 1 1 DC H5' H 1 2.97 0.001 9 1 . . . . A 1 DC H5' . 34083 1 8 . 1 1 1 1 DC H5'' H 1 2.846 0.004 9 1 . . . . A 1 DC H5'' . 34083 1 9 . 1 1 1 1 DC H6 H 1 6.719 0.001 10 1 . . . . A 1 DC H6 . 34083 1 10 . 1 1 2 2 DA H1' H 1 5.926 0.001 5 1 . . . . A 2 DA H1' . 34083 1 11 . 1 1 2 2 DA H2 H 1 7.948 0.001 8 1 . . . . A 2 DA H2 . 34083 1 12 . 1 1 2 2 DA H2' H 1 2.411 0.001 3 1 . . . . A 2 DA H2' . 34083 1 13 . 1 1 2 2 DA H2'' H 1 2.633 0.002 4 1 . . . . A 2 DA H2'' . 34083 1 14 . 1 1 2 2 DA H3' H 1 4.956 0.002 5 1 . . . . A 2 DA H3' . 34083 1 15 . 1 1 2 2 DA H4' H 1 4.426 0.001 4 1 . . . . A 2 DA H4' . 34083 1 16 . 1 1 2 2 DA H8 H 1 7.603 0.001 3 1 . . . . A 2 DA H8 . 34083 1 17 . 1 1 3 3 DG H1 H 1 11.836 0.003 5 1 . . . . A 3 DG H1 . 34083 1 18 . 1 1 3 3 DG H1' H 1 5.901 0.001 8 1 . . . . A 3 DG H1' . 34083 1 19 . 1 1 3 3 DG H2' H 1 3.302 0.002 8 1 . . . . A 3 DG H2' . 34083 1 20 . 1 1 3 3 DG H2'' H 1 2.945 0.002 7 1 . . . . A 3 DG H2'' . 34083 1 21 . 1 1 3 3 DG H3' H 1 4.879 0.002 8 1 . . . . A 3 DG H3' . 34083 1 22 . 1 1 3 3 DG H4' H 1 4.557 0 6 1 . . . . A 3 DG H4' . 34083 1 23 . 1 1 3 3 DG H5' H 1 4.444 0.004 2 1 . . . . A 3 DG H5' . 34083 1 24 . 1 1 3 3 DG H5'' H 1 4.419 0.004 2 1 . . . . A 3 DG H5'' . 34083 1 25 . 1 1 3 3 DG H8 H 1 6.916 0.001 14 1 . . . . A 3 DG H8 . 34083 1 26 . 1 1 4 4 DG H1 H 1 11.402 0.001 8 1 . . . . A 4 DG H1 . 34083 1 27 . 1 1 4 4 DG H1' H 1 5.819 0.002 10 1 . . . . A 4 DG H1' . 34083 1 28 . 1 1 4 4 DG H2' H 1 2.406 0.002 5 1 . . . . A 4 DG H2' . 34083 1 29 . 1 1 4 4 DG H2'' H 1 2.631 0.002 6 1 . . . . A 4 DG H2'' . 34083 1 30 . 1 1 4 4 DG H3' H 1 4.97 0.002 7 1 . . . . A 4 DG H3' . 34083 1 31 . 1 1 4 4 DG H4' H 1 4.239 0.001 7 1 . . . . A 4 DG H4' . 34083 1 32 . 1 1 4 4 DG H5' H 1 4.357 0.001 4 1 . . . . A 4 DG H5' . 34083 1 33 . 1 1 4 4 DG H5'' H 1 4.184 0 2 1 . . . . A 4 DG H5'' . 34083 1 34 . 1 1 4 4 DG H8 H 1 7.76 0.002 15 1 . . . . A 4 DG H8 . 34083 1 35 . 1 1 4 4 DG H21 H 1 9.834 0 1 1 . . . . A 4 DG H21 . 34083 1 36 . 1 1 5 5 DG H1 H 1 10.82 0.002 7 1 . . . . A 5 DG H1 . 34083 1 37 . 1 1 5 5 DG H1' H 1 6.01 0.001 10 1 . . . . A 5 DG H1' . 34083 1 38 . 1 1 5 5 DG H2' H 1 2.392 0.002 5 1 . . . . A 5 DG H2' . 34083 1 39 . 1 1 5 5 DG H2'' H 1 2.496 0.001 6 1 . . . . A 5 DG H2'' . 34083 1 40 . 1 1 5 5 DG H3' H 1 4.893 0.002 8 1 . . . . A 5 DG H3' . 34083 1 41 . 1 1 5 5 DG H4' H 1 3.615 0.001 13 1 . . . . A 5 DG H4' . 34083 1 42 . 1 1 5 5 DG H5' H 1 3.911 0.003 6 1 . . . . A 5 DG H5' . 34083 1 43 . 1 1 5 5 DG H5'' H 1 3.722 0.002 10 1 . . . . A 5 DG H5'' . 34083 1 44 . 1 1 5 5 DG H8 H 1 7.658 0.001 13 1 . . . . A 5 DG H8 . 34083 1 45 . 1 1 5 5 DG H21 H 1 7.446 0 1 1 . . . . A 5 DG H21 . 34083 1 46 . 1 1 6 6 DT H1' H 1 6.402 0.001 10 1 . . . . A 6 DT H1' . 34083 1 47 . 1 1 6 6 DT H2' H 1 2.395 0.002 4 1 . . . . A 6 DT H2' . 34083 1 48 . 1 1 6 6 DT H2'' H 1 2.512 0.003 4 1 . . . . A 6 DT H2'' . 34083 1 49 . 1 1 6 6 DT H3' H 1 4.635 0.002 7 1 . . . . A 6 DT H3' . 34083 1 50 . 1 1 6 6 DT H4' H 1 4.49 0.001 6 1 . . . . A 6 DT H4' . 34083 1 51 . 1 1 6 6 DT H5' H 1 3.928 0.004 4 1 . . . . A 6 DT H5' . 34083 1 52 . 1 1 6 6 DT H5'' H 1 4.164 0.002 6 1 . . . . A 6 DT H5'' . 34083 1 53 . 1 1 6 6 DT H6 H 1 7.749 0 10 1 . . . . A 6 DT H6 . 34083 1 54 . 1 1 6 6 DT H71 H 1 1.919 0 3 1 . . . . A 6 DT H71 . 34083 1 55 . 1 1 6 6 DT H72 H 1 1.919 0 3 1 . . . . A 6 DT H72 . 34083 1 56 . 1 1 6 6 DT H73 H 1 1.919 0 3 1 . . . . A 6 DT H73 . 34083 1 57 . 1 1 7 7 DT H1' H 1 6.184 0.001 12 1 . . . . A 7 DT H1' . 34083 1 58 . 1 1 7 7 DT H2' H 1 1.417 0.002 9 1 . . . . A 7 DT H2' . 34083 1 59 . 1 1 7 7 DT H2'' H 1 2.351 0.002 7 1 . . . . A 7 DT H2'' . 34083 1 60 . 1 1 7 7 DT H3 H 1 10.514 0 2 1 . . . . A 7 DT H3 . 34083 1 61 . 1 1 7 7 DT H3' H 1 4.777 0.002 6 1 . . . . A 7 DT H3' . 34083 1 62 . 1 1 7 7 DT H4' H 1 4.027 0.002 2 1 . . . . A 7 DT H4' . 34083 1 63 . 1 1 7 7 DT H6 H 1 7.308 0.001 14 1 . . . . A 7 DT H6 . 34083 1 64 . 1 1 7 7 DT H71 H 1 2.055 0.001 13 1 . . . . A 7 DT H71 . 34083 1 65 . 1 1 7 7 DT H72 H 1 2.055 0.001 13 1 . . . . A 7 DT H72 . 34083 1 66 . 1 1 7 7 DT H73 H 1 2.055 0.001 13 1 . . . . A 7 DT H73 . 34083 1 67 . 1 1 8 8 DA H1' H 1 6.393 0.001 14 1 . . . . A 8 DA H1' . 34083 1 68 . 1 1 8 8 DA H2 H 1 8.259 0.001 17 1 . . . . A 8 DA H2 . 34083 1 69 . 1 1 8 8 DA H2' H 1 3.078 0.001 6 1 . . . . A 8 DA H2' . 34083 1 70 . 1 1 8 8 DA H2'' H 1 2.873 0.001 5 1 . . . . A 8 DA H2'' . 34083 1 71 . 1 1 8 8 DA H3' H 1 5.121 0.001 9 1 . . . . A 8 DA H3' . 34083 1 72 . 1 1 8 8 DA H4' H 1 4.703 0.001 6 1 . . . . A 8 DA H4' . 34083 1 73 . 1 1 8 8 DA H5' H 1 4.154 0.002 5 1 . . . . A 8 DA H5' . 34083 1 74 . 1 1 8 8 DA H5'' H 1 4.192 0.003 8 1 . . . . A 8 DA H5'' . 34083 1 75 . 1 1 8 8 DA H8 H 1 8.6 0 13 1 . . . . A 8 DA H8 . 34083 1 76 . 1 1 9 9 DA H1' H 1 6.225 0.004 14 1 . . . . A 9 DA H1' . 34083 1 77 . 1 1 9 9 DA H2 H 1 7.969 0.002 7 1 . . . . A 9 DA H2 . 34083 1 78 . 1 1 9 9 DA H2' H 1 2.744 0.003 9 1 . . . . A 9 DA H2' . 34083 1 79 . 1 1 9 9 DA H2'' H 1 2.69 0.003 9 1 . . . . A 9 DA H2'' . 34083 1 80 . 1 1 9 9 DA H3' H 1 5.023 0.002 15 1 . . . . A 9 DA H3' . 34083 1 81 . 1 1 9 9 DA H4' H 1 4.387 0.002 8 1 . . . . A 9 DA H4' . 34083 1 82 . 1 1 9 9 DA H5' H 1 4.15 0.003 5 1 . . . . A 9 DA H5' . 34083 1 83 . 1 1 9 9 DA H5'' H 1 4.284 0.003 5 1 . . . . A 9 DA H5'' . 34083 1 84 . 1 1 9 9 DA H8 H 1 8.222 0.001 11 1 . . . . A 9 DA H8 . 34083 1 85 . 1 1 10 10 DG H1 H 1 11.629 0.001 10 1 . . . . A 10 DG H1 . 34083 1 86 . 1 1 10 10 DG H1' H 1 5.972 0.002 8 1 . . . . A 10 DG H1' . 34083 1 87 . 1 1 10 10 DG H2' H 1 3.346 0.003 9 1 . . . . A 10 DG H2' . 34083 1 88 . 1 1 10 10 DG H2'' H 1 3.127 0.002 9 1 . . . . A 10 DG H2'' . 34083 1 89 . 1 1 10 10 DG H3' H 1 4.542 0.001 9 1 . . . . A 10 DG H3' . 34083 1 90 . 1 1 10 10 DG H4' H 1 4.222 0.002 7 1 . . . . A 10 DG H4' . 34083 1 91 . 1 1 10 10 DG H5' H 1 3.73 0.002 11 1 . . . . A 10 DG H5' . 34083 1 92 . 1 1 10 10 DG H5'' H 1 3.617 0.002 11 1 . . . . A 10 DG H5'' . 34083 1 93 . 1 1 10 10 DG H8 H 1 7.364 0.003 9 1 . . . . A 10 DG H8 . 34083 1 94 . 1 1 11 11 DG H1 H 1 11.568 0.001 5 1 . . . . A 11 DG H1 . 34083 1 95 . 1 1 11 11 DG H1' H 1 5.764 0.001 9 1 . . . . A 11 DG H1' . 34083 1 96 . 1 1 11 11 DG H2' H 1 2.703 0.001 7 1 . . . . A 11 DG H2' . 34083 1 97 . 1 1 11 11 DG H2'' H 1 2.722 0 7 1 . . . . A 11 DG H2'' . 34083 1 98 . 1 1 11 11 DG H3' H 1 5.132 0.001 8 1 . . . . A 11 DG H3' . 34083 1 99 . 1 1 11 11 DG H4' H 1 4.396 0.001 7 1 . . . . A 11 DG H4' . 34083 1 100 . 1 1 11 11 DG H5' H 1 4.481 0.002 5 1 . . . . A 11 DG H5' . 34083 1 101 . 1 1 11 11 DG H5'' H 1 4.268 0.003 7 1 . . . . A 11 DG H5'' . 34083 1 102 . 1 1 11 11 DG H8 H 1 8.408 0.001 19 1 . . . . A 11 DG H8 . 34083 1 103 . 1 1 12 12 DG H1 H 1 11.109 0.002 7 1 . . . . A 12 DG H1 . 34083 1 104 . 1 1 12 12 DG H1' H 1 6.206 0.001 7 1 . . . . A 12 DG H1' . 34083 1 105 . 1 1 12 12 DG H2' H 1 2.497 0.002 5 1 . . . . A 12 DG H2' . 34083 1 106 . 1 1 12 12 DG H2'' H 1 2.621 0.003 6 1 . . . . A 12 DG H2'' . 34083 1 107 . 1 1 12 12 DG H3' H 1 4.945 0.002 7 1 . . . . A 12 DG H3' . 34083 1 108 . 1 1 12 12 DG H4' H 1 4.485 0.001 3 1 . . . . A 12 DG H4' . 34083 1 109 . 1 1 12 12 DG H8 H 1 7.741 0.001 13 1 . . . . A 12 DG H8 . 34083 1 110 . 1 1 12 12 DG H21 H 1 7.442 0 1 1 . . . . A 12 DG H21 . 34083 1 111 . 1 1 13 13 DT H1' H 1 5.873 0.001 9 1 . . . . A 13 DT H1' . 34083 1 112 . 1 1 13 13 DT H2' H 1 1.822 0.001 6 1 . . . . A 13 DT H2' . 34083 1 113 . 1 1 13 13 DT H2'' H 1 2.176 0.002 6 1 . . . . A 13 DT H2'' . 34083 1 114 . 1 1 13 13 DT H3' H 1 4.782 0.001 5 1 . . . . A 13 DT H3' . 34083 1 115 . 1 1 13 13 DT H4' H 1 4.158 0.002 8 1 . . . . A 13 DT H4' . 34083 1 116 . 1 1 13 13 DT H6 H 1 7.195 0 12 1 . . . . A 13 DT H6 . 34083 1 117 . 1 1 13 13 DT H71 H 1 1.655 0.001 9 1 . . . . A 13 DT H71 . 34083 1 118 . 1 1 13 13 DT H72 H 1 1.655 0.001 9 1 . . . . A 13 DT H72 . 34083 1 119 . 1 1 13 13 DT H73 H 1 1.655 0.001 9 1 . . . . A 13 DT H73 . 34083 1 120 . 1 1 14 14 DA H1' H 1 6.152 0.001 9 1 . . . . A 14 DA H1' . 34083 1 121 . 1 1 14 14 DA H2 H 1 7.656 0 3 1 . . . . A 14 DA H2 . 34083 1 122 . 1 1 14 14 DA H2' H 1 2.543 0.002 5 1 . . . . A 14 DA H2' . 34083 1 123 . 1 1 14 14 DA H2'' H 1 2.596 0.002 7 1 . . . . A 14 DA H2'' . 34083 1 124 . 1 1 14 14 DA H3' H 1 4.892 0.001 5 1 . . . . A 14 DA H3' . 34083 1 125 . 1 1 14 14 DA H4' H 1 4.257 0.001 5 1 . . . . A 14 DA H4' . 34083 1 126 . 1 1 14 14 DA H8 H 1 8.111 0 13 1 . . . . A 14 DA H8 . 34083 1 127 . 1 1 15 15 DT H1' H 1 5.794 0.001 9 1 . . . . A 15 DT H1' . 34083 1 128 . 1 1 15 15 DT H2' H 1 1.676 0.002 6 1 . . . . A 15 DT H2' . 34083 1 129 . 1 1 15 15 DT H2'' H 1 2.054 0.002 5 1 . . . . A 15 DT H2'' . 34083 1 130 . 1 1 15 15 DT H3' H 1 4.664 0.001 6 1 . . . . A 15 DT H3' . 34083 1 131 . 1 1 15 15 DT H4' H 1 4.019 0.001 7 1 . . . . A 15 DT H4' . 34083 1 132 . 1 1 15 15 DT H5' H 1 3.966 0 1 1 . . . . A 15 DT H5' . 34083 1 133 . 1 1 15 15 DT H5'' H 1 3.928 0 2 1 . . . . A 15 DT H5'' . 34083 1 134 . 1 1 15 15 DT H6 H 1 7.128 0.001 14 1 . . . . A 15 DT H6 . 34083 1 135 . 1 1 15 15 DT H71 H 1 1.538 0.001 11 1 . . . . A 15 DT H71 . 34083 1 136 . 1 1 15 15 DT H72 H 1 1.538 0.001 11 1 . . . . A 15 DT H72 . 34083 1 137 . 1 1 15 15 DT H73 H 1 1.538 0.001 11 1 . . . . A 15 DT H73 . 34083 1 138 . 1 1 16 16 DA H1' H 1 5.9 0.001 7 1 . . . . A 16 DA H1' . 34083 1 139 . 1 1 16 16 DA H2 H 1 7.825 0 3 1 . . . . A 16 DA H2 . 34083 1 140 . 1 1 16 16 DA H2' H 1 2.424 0.002 4 1 . . . . A 16 DA H2' . 34083 1 141 . 1 1 16 16 DA H2'' H 1 2.534 0.003 5 1 . . . . A 16 DA H2'' . 34083 1 142 . 1 1 16 16 DA H3' H 1 4.839 0.001 6 1 . . . . A 16 DA H3' . 34083 1 143 . 1 1 16 16 DA H4' H 1 4.192 0.001 7 1 . . . . A 16 DA H4' . 34083 1 144 . 1 1 16 16 DA H5' H 1 3.936 0.003 4 1 . . . . A 16 DA H5' . 34083 1 145 . 1 1 16 16 DA H5'' H 1 3.865 0.002 4 1 . . . . A 16 DA H5'' . 34083 1 146 . 1 1 16 16 DA H8 H 1 8.018 0 13 1 . . . . A 16 DA H8 . 34083 1 147 . 1 1 17 17 DA H1' H 1 6.113 0.001 9 1 . . . . A 17 DA H1' . 34083 1 148 . 1 1 17 17 DA H2 H 1 7.797 0 1 1 . . . . A 17 DA H2 . 34083 1 149 . 1 1 17 17 DA H2' H 1 2.63 0.003 6 1 . . . . A 17 DA H2' . 34083 1 150 . 1 1 17 17 DA H2'' H 1 2.527 0.003 6 1 . . . . A 17 DA H2'' . 34083 1 151 . 1 1 17 17 DA H3' H 1 4.898 0.002 7 1 . . . . A 17 DA H3' . 34083 1 152 . 1 1 17 17 DA H4' H 1 4.263 0.001 6 1 . . . . A 17 DA H4' . 34083 1 153 . 1 1 17 17 DA H8 H 1 8.146 0.001 10 1 . . . . A 17 DA H8 . 34083 1 154 . 1 1 18 18 DC H1' H 1 6.068 0.001 8 1 . . . . A 18 DC H1' . 34083 1 155 . 1 1 18 18 DC H2' H 1 2.116 0.004 5 1 . . . . A 18 DC H2' . 34083 1 156 . 1 1 18 18 DC H2'' H 1 2.411 0.001 7 1 . . . . A 18 DC H2'' . 34083 1 157 . 1 1 18 18 DC H3' H 1 4.686 0.002 8 1 . . . . A 18 DC H3' . 34083 1 158 . 1 1 18 18 DC H4' H 1 4.194 0.002 6 1 . . . . A 18 DC H4' . 34083 1 159 . 1 1 18 18 DC H5 H 1 5.817 0.002 3 1 . . . . A 18 DC H5 . 34083 1 160 . 1 1 18 18 DC H5' H 1 4.037 0.001 3 1 . . . . A 18 DC H5' . 34083 1 161 . 1 1 18 18 DC H5'' H 1 3.957 0.001 2 1 . . . . A 18 DC H5'' . 34083 1 162 . 1 1 18 18 DC H6 H 1 7.62 0.001 15 1 . . . . A 18 DC H6 . 34083 1 163 . 1 1 19 19 DT H1' H 1 5.919 0.002 8 1 . . . . A 19 DT H1' . 34083 1 164 . 1 1 19 19 DT H2' H 1 2.074 0.002 6 1 . . . . A 19 DT H2' . 34083 1 165 . 1 1 19 19 DT H2'' H 1 2.315 0.002 8 1 . . . . A 19 DT H2'' . 34083 1 166 . 1 1 19 19 DT H3' H 1 4.659 0.003 6 1 . . . . A 19 DT H3' . 34083 1 167 . 1 1 19 19 DT H4' H 1 4.097 0.002 9 1 . . . . A 19 DT H4' . 34083 1 168 . 1 1 19 19 DT H5' H 1 3.952 0.002 4 1 . . . . A 19 DT H5' . 34083 1 169 . 1 1 19 19 DT H5'' H 1 3.928 0.001 3 1 . . . . A 19 DT H5'' . 34083 1 170 . 1 1 19 19 DT H6 H 1 7.401 0 13 1 . . . . A 19 DT H6 . 34083 1 171 . 1 1 19 19 DT H71 H 1 1.705 0.001 13 1 . . . . A 19 DT H71 . 34083 1 172 . 1 1 19 19 DT H72 H 1 1.705 0.001 13 1 . . . . A 19 DT H72 . 34083 1 173 . 1 1 19 19 DT H73 H 1 1.705 0.001 13 1 . . . . A 19 DT H73 . 34083 1 174 . 1 1 20 20 DT H1' H 1 5.882 0.002 8 1 . . . . A 20 DT H1' . 34083 1 175 . 1 1 20 20 DT H2' H 1 1.968 0.001 8 1 . . . . A 20 DT H2' . 34083 1 176 . 1 1 20 20 DT H2'' H 1 2.172 0.002 8 1 . . . . A 20 DT H2'' . 34083 1 177 . 1 1 20 20 DT H3' H 1 4.637 0.001 6 1 . . . . A 20 DT H3' . 34083 1 178 . 1 1 20 20 DT H4' H 1 4.002 0.002 6 1 . . . . A 20 DT H4' . 34083 1 179 . 1 1 20 20 DT H5' H 1 3.892 0.003 3 1 . . . . A 20 DT H5' . 34083 1 180 . 1 1 20 20 DT H5'' H 1 3.93 0.002 4 1 . . . . A 20 DT H5'' . 34083 1 181 . 1 1 20 20 DT H6 H 1 7.275 0.001 14 1 . . . . A 20 DT H6 . 34083 1 182 . 1 1 20 20 DT H71 H 1 1.616 0.001 11 1 . . . . A 20 DT H71 . 34083 1 183 . 1 1 20 20 DT H72 H 1 1.616 0.001 11 1 . . . . A 20 DT H72 . 34083 1 184 . 1 1 20 20 DT H73 H 1 1.616 0.001 11 1 . . . . A 20 DT H73 . 34083 1 185 . 1 1 21 21 DT H1' H 1 5.448 0.002 11 1 . . . . A 21 DT H1' . 34083 1 186 . 1 1 21 21 DT H2' H 1 1.398 0.001 9 1 . . . . A 21 DT H2' . 34083 1 187 . 1 1 21 21 DT H2'' H 1 1.69 0.002 8 1 . . . . A 21 DT H2'' . 34083 1 188 . 1 1 21 21 DT H3' H 1 4.421 0.003 7 1 . . . . A 21 DT H3' . 34083 1 189 . 1 1 21 21 DT H4' H 1 3.82 0.002 9 1 . . . . A 21 DT H4' . 34083 1 190 . 1 1 21 21 DT H6 H 1 6.704 0.001 12 1 . . . . A 21 DT H6 . 34083 1 191 . 1 1 21 21 DT H71 H 1 1.15 0.001 13 1 . . . . A 21 DT H71 . 34083 1 192 . 1 1 21 21 DT H72 H 1 1.15 0.001 13 1 . . . . A 21 DT H72 . 34083 1 193 . 1 1 21 21 DT H73 H 1 1.15 0.001 13 1 . . . . A 21 DT H73 . 34083 1 194 . 1 1 22 22 DA H1' H 1 5.468 0.003 8 1 . . . . A 22 DA H1' . 34083 1 195 . 1 1 22 22 DA H2 H 1 7.321 0.013 4 1 . . . . A 22 DA H2 . 34083 1 196 . 1 1 22 22 DA H2' H 1 1.882 0.001 7 1 . . . . A 22 DA H2' . 34083 1 197 . 1 1 22 22 DA H2'' H 1 2.526 0.003 6 1 . . . . A 22 DA H2'' . 34083 1 198 . 1 1 22 22 DA H3' H 1 4.754 0.001 8 1 . . . . A 22 DA H3' . 34083 1 199 . 1 1 22 22 DA H4' H 1 4.273 0.001 5 1 . . . . A 22 DA H4' . 34083 1 200 . 1 1 22 22 DA H5' H 1 3.818 0.002 4 1 . . . . A 22 DA H5' . 34083 1 201 . 1 1 22 22 DA H5'' H 1 3.352 0.001 5 1 . . . . A 22 DA H5'' . 34083 1 202 . 1 1 22 22 DA H8 H 1 7.715 0.003 16 1 . . . . A 22 DA H8 . 34083 1 203 . 1 1 23 23 DG H1 H 1 10.784 0.002 6 1 . . . . A 23 DG H1 . 34083 1 204 . 1 1 23 23 DG H1' H 1 6.05 0.001 8 1 . . . . A 23 DG H1' . 34083 1 205 . 1 1 23 23 DG H2' H 1 3.697 0.003 6 1 . . . . A 23 DG H2' . 34083 1 206 . 1 1 23 23 DG H2'' H 1 3.114 0.001 6 1 . . . . A 23 DG H2'' . 34083 1 207 . 1 1 23 23 DG H3' H 1 4.868 0.001 4 1 . . . . A 23 DG H3' . 34083 1 208 . 1 1 23 23 DG H4' H 1 4.091 0.001 4 1 . . . . A 23 DG H4' . 34083 1 209 . 1 1 23 23 DG H8 H 1 7.191 0.002 14 1 . . . . A 23 DG H8 . 34083 1 210 . 1 1 24 24 DG H1 H 1 10.96 0.001 8 1 . . . . A 24 DG H1 . 34083 1 211 . 1 1 24 24 DG H1' H 1 5.698 0.002 6 1 . . . . A 24 DG H1' . 34083 1 212 . 1 1 24 24 DG H2' H 1 2.345 0.003 4 1 . . . . A 24 DG H2' . 34083 1 213 . 1 1 24 24 DG H2'' H 1 2.415 0.001 3 1 . . . . A 24 DG H2'' . 34083 1 214 . 1 1 24 24 DG H3' H 1 4.97 0.003 4 1 . . . . A 24 DG H3' . 34083 1 215 . 1 1 24 24 DG H4' H 1 4.136 0.001 7 1 . . . . A 24 DG H4' . 34083 1 216 . 1 1 24 24 DG H5' H 1 4.284 0.002 2 1 . . . . A 24 DG H5' . 34083 1 217 . 1 1 24 24 DG H5'' H 1 4.354 0.001 2 1 . . . . A 24 DG H5'' . 34083 1 218 . 1 1 24 24 DG H8 H 1 7.316 0.003 7 1 . . . . A 24 DG H8 . 34083 1 219 . 1 1 25 25 DG H1 H 1 11.936 0 3 1 . . . . A 25 DG H1 . 34083 1 220 . 1 1 25 25 DG H1' H 1 5.595 0 2 1 . . . . A 25 DG H1' . 34083 1 221 . 1 1 25 25 DG H2' H 1 2.438 0.006 2 1 . . . . A 25 DG H2' . 34083 1 222 . 1 1 25 25 DG H2'' H 1 2.359 0 1 1 . . . . A 25 DG H2'' . 34083 1 223 . 1 1 25 25 DG H3' H 1 4.862 0 1 1 . . . . A 25 DG H3' . 34083 1 224 . 1 1 25 25 DG H8 H 1 7.706 0.001 3 1 . . . . A 25 DG H8 . 34083 1 225 . 1 1 26 26 DG H1 H 1 12.739 0.001 3 1 . . . . A 26 DG H1 . 34083 1 226 . 1 1 26 26 DG H1' H 1 5.988 0.004 3 1 . . . . A 26 DG H1' . 34083 1 227 . 1 1 26 26 DG H2' H 1 2.683 0.002 2 1 . . . . A 26 DG H2' . 34083 1 228 . 1 1 26 26 DG H2'' H 1 2.58 0.003 2 1 . . . . A 26 DG H2'' . 34083 1 229 . 1 1 26 26 DG H3' H 1 4.937 0 1 1 . . . . A 26 DG H3' . 34083 1 230 . 1 1 26 26 DG H8 H 1 7.859 0.003 5 1 . . . . A 26 DG H8 . 34083 1 231 . 1 1 26 26 DG H22 H 1 6.771 0.001 7 1 . . . . A 26 DG H22 . 34083 1 232 . 1 1 27 27 DT H1' H 1 5.426 0.003 9 1 . . . . A 27 DT H1' . 34083 1 233 . 1 1 27 27 DT H2' H 1 2.53 0.001 7 1 . . . . A 27 DT H2' . 34083 1 234 . 1 1 27 27 DT H2'' H 1 2.136 0.002 6 1 . . . . A 27 DT H2'' . 34083 1 235 . 1 1 27 27 DT H3' H 1 4.834 0.001 7 1 . . . . A 27 DT H3' . 34083 1 236 . 1 1 27 27 DT H4' H 1 4.428 0.002 8 1 . . . . A 27 DT H4' . 34083 1 237 . 1 1 27 27 DT H6 H 1 7.017 0.001 7 1 . . . . A 27 DT H6 . 34083 1 238 . 1 1 27 27 DT H71 H 1 1.523 0.001 11 1 . . . . A 27 DT H71 . 34083 1 239 . 1 1 27 27 DT H72 H 1 1.523 0.001 11 1 . . . . A 27 DT H72 . 34083 1 240 . 1 1 27 27 DT H73 H 1 1.523 0.001 11 1 . . . . A 27 DT H73 . 34083 1 241 . 1 1 28 28 DT H1' H 1 6.138 0.001 7 1 . . . . A 28 DT H1' . 34083 1 242 . 1 1 28 28 DT H2' H 1 2.261 0.001 5 1 . . . . A 28 DT H2' . 34083 1 243 . 1 1 28 28 DT H2'' H 1 2.387 0.003 6 1 . . . . A 28 DT H2'' . 34083 1 244 . 1 1 28 28 DT H3' H 1 4.537 0.002 6 1 . . . . A 28 DT H3' . 34083 1 245 . 1 1 28 28 DT H4' H 1 3.963 0.001 9 1 . . . . A 28 DT H4' . 34083 1 246 . 1 1 28 28 DT H5' H 1 3.821 0 1 1 . . . . A 28 DT H5' . 34083 1 247 . 1 1 28 28 DT H5'' H 1 3.8 0 1 1 . . . . A 28 DT H5'' . 34083 1 248 . 1 1 28 28 DT H6 H 1 7.324 0 9 1 . . . . A 28 DT H6 . 34083 1 249 . 1 1 28 28 DT H71 H 1 1.651 0 4 1 . . . . A 28 DT H71 . 34083 1 250 . 1 1 28 28 DT H72 H 1 1.651 0 4 1 . . . . A 28 DT H72 . 34083 1 251 . 1 1 28 28 DT H73 H 1 1.651 0 4 1 . . . . A 28 DT H73 . 34083 1 252 . 1 1 29 29 DA H1' H 1 6.331 0.001 9 1 . . . . A 29 DA H1' . 34083 1 253 . 1 1 29 29 DA H2 H 1 8.06 0 5 1 . . . . A 29 DA H2 . 34083 1 254 . 1 1 29 29 DA H2' H 1 2.579 0.002 8 1 . . . . A 29 DA H2' . 34083 1 255 . 1 1 29 29 DA H2'' H 1 3.324 0.003 6 1 . . . . A 29 DA H2'' . 34083 1 256 . 1 1 29 29 DA H3' H 1 4.867 0.001 6 1 . . . . A 29 DA H3' . 34083 1 257 . 1 1 29 29 DA H4' H 1 4.282 0.002 3 1 . . . . A 29 DA H4' . 34083 1 258 . 1 1 29 29 DA H5' H 1 3.83 0.002 7 1 . . . . A 29 DA H5' . 34083 1 259 . 1 1 29 29 DA H5'' H 1 3.678 0.001 9 1 . . . . A 29 DA H5'' . 34083 1 260 . 1 1 29 29 DA H8 H 1 8.214 0.001 13 1 . . . . A 29 DA H8 . 34083 1 261 . 1 1 30 30 DG H1 H 1 11.472 0.002 10 1 . . . . A 30 DG H1 . 34083 1 262 . 1 1 30 30 DG H1' H 1 5.69 0.001 9 1 . . . . A 30 DG H1' . 34083 1 263 . 1 1 30 30 DG H2' H 1 3.201 0.001 5 1 . . . . A 30 DG H2' . 34083 1 264 . 1 1 30 30 DG H2'' H 1 2.858 0.002 6 1 . . . . A 30 DG H2'' . 34083 1 265 . 1 1 30 30 DG H3' H 1 4.945 0.001 5 1 . . . . A 30 DG H3' . 34083 1 266 . 1 1 30 30 DG H8 H 1 6.85 0.003 13 1 . . . . A 30 DG H8 . 34083 1 267 . 1 1 31 31 DG H1 H 1 11.963 0.002 4 1 . . . . A 31 DG H1 . 34083 1 268 . 1 1 31 31 DG H1' H 1 5.647 0.001 7 1 . . . . A 31 DG H1' . 34083 1 269 . 1 1 31 31 DG H2' H 1 2.37 0.002 3 1 . . . . A 31 DG H2' . 34083 1 270 . 1 1 31 31 DG H2'' H 1 2.526 0.001 3 1 . . . . A 31 DG H2'' . 34083 1 271 . 1 1 31 31 DG H3' H 1 4.998 0.001 7 1 . . . . A 31 DG H3' . 34083 1 272 . 1 1 31 31 DG H4' H 1 4.256 0.001 5 1 . . . . A 31 DG H4' . 34083 1 273 . 1 1 31 31 DG H5' H 1 4.332 0 3 1 . . . . A 31 DG H5' . 34083 1 274 . 1 1 31 31 DG H5'' H 1 4.193 0.002 3 1 . . . . A 31 DG H5'' . 34083 1 275 . 1 1 31 31 DG H8 H 1 7.78 0.002 14 1 . . . . A 31 DG H8 . 34083 1 276 . 1 1 32 32 DG H1 H 1 11.26 0.002 5 1 . . . . A 32 DG H1 . 34083 1 277 . 1 1 32 32 DG H1' H 1 6.065 0.002 5 1 . . . . A 32 DG H1' . 34083 1 278 . 1 1 32 32 DG H2' H 1 2.397 0.002 2 1 . . . . A 32 DG H2' . 34083 1 279 . 1 1 32 32 DG H2'' H 1 2.546 0.003 6 1 . . . . A 32 DG H2'' . 34083 1 280 . 1 1 32 32 DG H3' H 1 4.966 0.003 8 1 . . . . A 32 DG H3' . 34083 1 281 . 1 1 32 32 DG H5' H 1 4.451 0.001 4 1 . . . . A 32 DG H5' . 34083 1 282 . 1 1 32 32 DG H5'' H 1 4.197 0.002 2 1 . . . . A 32 DG H5'' . 34083 1 283 . 1 1 32 32 DG H8 H 1 7.775 0.001 12 1 . . . . A 32 DG H8 . 34083 1 284 . 1 1 33 33 DT H1' H 1 6.092 0.002 8 1 . . . . A 33 DT H1' . 34083 1 285 . 1 1 33 33 DT H2' H 1 2.142 0.003 4 1 . . . . A 33 DT H2' . 34083 1 286 . 1 1 33 33 DT H2'' H 1 2.322 0.002 7 1 . . . . A 33 DT H2'' . 34083 1 287 . 1 1 33 33 DT H3' H 1 4.785 0.002 5 1 . . . . A 33 DT H3' . 34083 1 288 . 1 1 33 33 DT H4' H 1 4.197 0.001 6 1 . . . . A 33 DT H4' . 34083 1 289 . 1 1 33 33 DT H6 H 1 7.189 0.001 11 1 . . . . A 33 DT H6 . 34083 1 290 . 1 1 33 33 DT H71 H 1 1.594 0.002 13 1 . . . . A 33 DT H71 . 34083 1 291 . 1 1 33 33 DT H72 H 1 1.594 0.002 13 1 . . . . A 33 DT H72 . 34083 1 292 . 1 1 33 33 DT H73 H 1 1.594 0.002 13 1 . . . . A 33 DT H73 . 34083 1 293 . 1 1 34 34 DT H1' H 1 6.014 0 7 1 . . . . A 34 DT H1' . 34083 1 294 . 1 1 34 34 DT H2' H 1 2.144 0.003 5 1 . . . . A 34 DT H2' . 34083 1 295 . 1 1 34 34 DT H2'' H 1 2.253 0.003 5 1 . . . . A 34 DT H2'' . 34083 1 296 . 1 1 34 34 DT H3' H 1 4.425 0 5 1 . . . . A 34 DT H3' . 34083 1 297 . 1 1 34 34 DT H4' H 1 3.986 0.002 6 1 . . . . A 34 DT H4' . 34083 1 298 . 1 1 34 34 DT H6 H 1 7.387 0.001 12 1 . . . . A 34 DT H6 . 34083 1 299 . 1 1 34 34 DT H71 H 1 1.689 0.001 9 1 . . . . A 34 DT H71 . 34083 1 300 . 1 1 34 34 DT H72 H 1 1.689 0.001 9 1 . . . . A 34 DT H72 . 34083 1 301 . 1 1 34 34 DT H73 H 1 1.689 0.001 9 1 . . . . A 34 DT H73 . 34083 1 stop_ save_