data_34805 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34805 _Entry.Title ; Solution structure of the 8-17 DNAzyme in presence of Zn2+ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-13 _Entry.Accession_date 2023-04-13 _Entry.Last_release_date 2023-04-18 _Entry.Original_release_date 2023-04-18 _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 W. Andralojc W. . . . 34805 2 Z. Gdaniec Z. . . . 34805 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 8-17 . 34805 DNA . 34805 DNAzyme . 34805 zinc . 34805 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 34805 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 302 34805 '31P chemical shifts' 32 34805 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 . . 2023-04-19 . original BMRB . 34805 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8OR8 'BMRB Entry Tracking System' 34805 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34805 _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 ; The solution structure of 8-17 DNAzyme in the presence of Zn2+ ; _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 W. Andralojc W. . . . 34805 1 2 Z. Gdaniec Z. . . . 34805 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34805 _Assembly.ID 1 _Assembly.Name 'Lanthanide-binding aptamer' _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 . . . . . . 34805 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34805 _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 ; CGCCGGGGTCGAAGACTGCC AGCGGCTCGACGGCG ; _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 35 _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 10841.923 _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 . 34805 1 2 . DG . 34805 1 3 . DC . 34805 1 4 . DC . 34805 1 5 . DG . 34805 1 6 . DG . 34805 1 7 . DG . 34805 1 8 . DG . 34805 1 9 . DT . 34805 1 10 . DC . 34805 1 11 . DG . 34805 1 12 . DA . 34805 1 13 . DA . 34805 1 14 . DG . 34805 1 15 . DA . 34805 1 16 . DC . 34805 1 17 . DT . 34805 1 18 . DG . 34805 1 19 . DC . 34805 1 20 . DC . 34805 1 21 . DA . 34805 1 22 . DG . 34805 1 23 . DC . 34805 1 24 . DG . 34805 1 25 . DG . 34805 1 26 . DC . 34805 1 27 . DT . 34805 1 28 . DC . 34805 1 29 . DG . 34805 1 30 . DA . 34805 1 31 . DC . 34805 1 32 . DG . 34805 1 33 . DG . 34805 1 34 . DC . 34805 1 35 . DG . 34805 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 34805 1 . DG 2 2 34805 1 . DC 3 3 34805 1 . DC 4 4 34805 1 . DG 5 5 34805 1 . DG 6 6 34805 1 . DG 7 7 34805 1 . DG 8 8 34805 1 . DT 9 9 34805 1 . DC 10 10 34805 1 . DG 11 11 34805 1 . DA 12 12 34805 1 . DA 13 13 34805 1 . DG 14 14 34805 1 . DA 15 15 34805 1 . DC 16 16 34805 1 . DT 17 17 34805 1 . DG 18 18 34805 1 . DC 19 19 34805 1 . DC 20 20 34805 1 . DA 21 21 34805 1 . DG 22 22 34805 1 . DC 23 23 34805 1 . DG 24 24 34805 1 . DG 25 25 34805 1 . DC 26 26 34805 1 . DT 27 27 34805 1 . DC 28 28 34805 1 . DG 29 29 34805 1 . DA 30 30 34805 1 . DC 31 31 34805 1 . DG 32 32 34805 1 . DG 33 33 34805 1 . DC 34 34 34805 1 . DG 35 35 34805 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 34805 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34805 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 34805 _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' . . . . . . . . . . . . . . . . 34805 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34805 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.2 mM 8-17 DNAzyme, 10 mM cacodylate, 4 mM zinc chloride, 200 mM sodium 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 '8-17 DNAzyme' 'natural abundance' 1 $assembly 1 $entity_1 . . 2.2 . . mM . . . . 34805 1 2 cacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 34805 1 3 'zinc chloride' 'natural abundance' . . . . . . 4 . . mM . . . . 34805 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34805 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34805 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.2 mM 8-17 DNAzyme, 10 mM cacodylate, 4 mM zinc chloride, 200 mM sodium 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 '8-17 DNAzyme' 'natural abundance' 1 $assembly 1 $entity_1 . . 2.2 . . mM . . . . 34805 2 2 cacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 34805 2 3 'zinc chloride' 'natural abundance' . . . . . . 4 . . mM . . . . 34805 2 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34805 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34805 _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' 200 . mM 34805 1 pH 6.0 . pH 34805 1 pressure 1 . atm 34805 1 temperature 308 . K 34805 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34805 _Sample_condition_list.ID 2 _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' 200 . mM 34805 2 pH 6.0 . pH 34805 2 pressure 1 . atm 34805 2 temperature 293 . K 34805 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34805 _Software.ID 1 _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' . . 34805 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34805 1 'structure calculation' . 34805 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34805 _Software.ID 2 _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 NMRFAM . . 34805 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34805 2 'peak picking' . 34805 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 34805 _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 700 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 34805 _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' . 700 . . . 34805 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 34805 _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 . . . . . . . . . . . . . . . . . 34805 1 2 '2D 1H-31P COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34805 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34805 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34805 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34805 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 34805 _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 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34805 1 P 31 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.404636808 . . . . . 34805 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 34805 _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' . . . 34805 1 2 '2D 1H-31P COSY' . . . 34805 1 3 '2D 1H-1H TOCSY' . . . 34805 1 4 '2D 1H-13C HSQC' . . . 34805 1 5 '2D 1H-1H NOESY' . . . 34805 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 DC H1' H 1 5.817 0.01 . 1 . . . . A 1 DC H1' . 34805 1 2 . 1 . 1 1 1 DC H2' H 1 1.991 0.01 . 1 . . . . A 1 DC H2' . 34805 1 3 . 1 . 1 1 1 DC H2'' H 1 2.454 0.01 . 1 . . . . A 1 DC H2'' . 34805 1 4 . 1 . 1 1 1 DC H3' H 1 4.736 0.01 . 1 . . . . A 1 DC H3' . 34805 1 5 . 1 . 1 1 1 DC H4' H 1 4.105 0.01 . 1 . . . . A 1 DC H4' . 34805 1 6 . 1 . 1 1 1 DC H5 H 1 5.962 0.01 . 1 . . . . A 1 DC H5 . 34805 1 7 . 1 . 1 1 1 DC H5' H 1 3.776 0.01 . 2 . . . . A 1 DC H5' . 34805 1 8 . 1 . 1 1 1 DC H5'' H 1 3.750 0.01 . 2 . . . . A 1 DC H5'' . 34805 1 9 . 1 . 1 1 1 DC H6 H 1 7.684 0.01 . 1 . . . . A 1 DC H6 . 34805 1 10 . 1 . 1 2 2 DG H1' H 1 5.950 0.01 . 1 . . . . A 2 DG H1' . 34805 1 11 . 1 . 1 2 2 DG H2' H 1 2.734 0.01 . 1 . . . . A 2 DG H2' . 34805 1 12 . 1 . 1 2 2 DG H2'' H 1 2.773 0.01 . 1 . . . . A 2 DG H2'' . 34805 1 13 . 1 . 1 2 2 DG H3' H 1 5.019 0.01 . 1 . . . . A 2 DG H3' . 34805 1 14 . 1 . 1 2 2 DG H4' H 1 4.401 0.01 . 1 . . . . A 2 DG H4' . 34805 1 15 . 1 . 1 2 2 DG H5'' H 1 4.038 0.01 . 2 . . . . A 2 DG H5'' . 34805 1 16 . 1 . 1 2 2 DG H8 H 1 8.024 0.01 . 1 . . . . A 2 DG H8 . 34805 1 17 . 1 . 1 2 2 DG P P 31 -4.201 0.05 . 1 . . . . A 2 DG P . 34805 1 18 . 1 . 1 3 3 DC H1' H 1 6.063 0.01 . 1 . . . . A 3 DC H1' . 34805 1 19 . 1 . 1 3 3 DC H2' H 1 2.150 0.01 . 1 . . . . A 3 DC H2' . 34805 1 20 . 1 . 1 3 3 DC H2'' H 1 2.495 0.01 . 1 . . . . A 3 DC H2'' . 34805 1 21 . 1 . 1 3 3 DC H3' H 1 4.892 0.01 . 1 . . . . A 3 DC H3' . 34805 1 22 . 1 . 1 3 3 DC H4' H 1 4.288 0.01 . 1 . . . . A 3 DC H4' . 34805 1 23 . 1 . 1 3 3 DC H5 H 1 5.463 0.01 . 1 . . . . A 3 DC H5 . 34805 1 24 . 1 . 1 3 3 DC H5' H 1 4.241 0.01 . 2 . . . . A 3 DC H5' . 34805 1 25 . 1 . 1 3 3 DC H5'' H 1 4.171 0.01 . 2 . . . . A 3 DC H5'' . 34805 1 26 . 1 . 1 3 3 DC H6 H 1 7.493 0.01 . 1 . . . . A 3 DC H6 . 34805 1 27 . 1 . 1 3 3 DC P P 31 -4.338 0.05 . 1 . . . . A 3 DC P . 34805 1 28 . 1 . 1 4 4 DC H1' H 1 5.626 0.01 . 1 . . . . A 4 DC H1' . 34805 1 29 . 1 . 1 4 4 DC H2' H 1 1.762 0.01 . 1 . . . . A 4 DC H2' . 34805 1 30 . 1 . 1 4 4 DC H2'' H 1 2.184 0.01 . 1 . . . . A 4 DC H2'' . 34805 1 31 . 1 . 1 4 4 DC H3' H 1 4.820 0.01 . 1 . . . . A 4 DC H3' . 34805 1 32 . 1 . 1 4 4 DC H4' H 1 4.091 0.01 . 1 . . . . A 4 DC H4' . 34805 1 33 . 1 . 1 4 4 DC H5 H 1 5.624 0.01 . 1 . . . . A 4 DC H5 . 34805 1 34 . 1 . 1 4 4 DC H6 H 1 7.354 0.01 . 1 . . . . A 4 DC H6 . 34805 1 35 . 1 . 1 4 4 DC P P 31 -4.261 0.05 . 1 . . . . A 4 DC P . 34805 1 36 . 1 . 1 5 5 DG H1' H 1 5.960 0.01 . 1 . . . . A 5 DG H1' . 34805 1 37 . 1 . 1 5 5 DG H2' H 1 2.180 0.01 . 1 . . . . A 5 DG H2' . 34805 1 38 . 1 . 1 5 5 DG H2'' H 1 2.427 0.01 . 1 . . . . A 5 DG H2'' . 34805 1 39 . 1 . 1 5 5 DG H3' H 1 4.973 0.01 . 1 . . . . A 5 DG H3' . 34805 1 40 . 1 . 1 5 5 DG H4' H 1 4.387 0.01 . 1 . . . . A 5 DG H4' . 34805 1 41 . 1 . 1 5 5 DG H8 H 1 7.455 0.01 . 1 . . . . A 5 DG H8 . 34805 1 42 . 1 . 1 5 5 DG P P 31 -4.249 0.05 . 1 . . . . A 5 DG P . 34805 1 43 . 1 . 1 6 6 DG H1' H 1 5.731 0.01 . 1 . . . . A 6 DG H1' . 34805 1 44 . 1 . 1 6 6 DG H2' H 1 3.134 0.01 . 2 . . . . A 6 DG H2' . 34805 1 45 . 1 . 1 6 6 DG H2'' H 1 3.148 0.01 . 2 . . . . A 6 DG H2'' . 34805 1 46 . 1 . 1 6 6 DG H3' H 1 5.267 0.01 . 1 . . . . A 6 DG H3' . 34805 1 47 . 1 . 1 6 6 DG H4' H 1 4.962 0.01 . 1 . . . . A 6 DG H4' . 34805 1 48 . 1 . 1 6 6 DG H8 H 1 8.303 0.01 . 1 . . . . A 6 DG H8 . 34805 1 49 . 1 . 1 7 7 DG H1' H 1 6.394 0.01 . 1 . . . . A 7 DG H1' . 34805 1 50 . 1 . 1 7 7 DG H2' H 1 3.251 0.01 . 2 . . . . A 7 DG H2' . 34805 1 51 . 1 . 1 7 7 DG H2'' H 1 3.027 0.01 . 2 . . . . A 7 DG H2'' . 34805 1 52 . 1 . 1 7 7 DG H3' H 1 4.922 0.01 . 1 . . . . A 7 DG H3' . 34805 1 53 . 1 . 1 7 7 DG H4' H 1 4.524 0.01 . 1 . . . . A 7 DG H4' . 34805 1 54 . 1 . 1 7 7 DG H5' H 1 4.659 0.01 . 2 . . . . A 7 DG H5' . 34805 1 55 . 1 . 1 7 7 DG H5'' H 1 4.387 0.01 . 2 . . . . A 7 DG H5'' . 34805 1 56 . 1 . 1 7 7 DG H8 H 1 8.481 0.01 . 1 . . . . A 7 DG H8 . 34805 1 57 . 1 . 1 7 7 DG P P 31 -3.983 0.05 . 1 . . . . A 7 DG P . 34805 1 58 . 1 . 1 8 8 DG H1' H 1 6.025 0.01 . 1 . . . . A 8 DG H1' . 34805 1 59 . 1 . 1 8 8 DG H2' H 1 2.581 0.01 . 2 . . . . A 8 DG H2' . 34805 1 60 . 1 . 1 8 8 DG H2'' H 1 2.835 0.01 . 2 . . . . A 8 DG H2'' . 34805 1 61 . 1 . 1 8 8 DG H3' H 1 4.915 0.01 . 1 . . . . A 8 DG H3' . 34805 1 62 . 1 . 1 8 8 DG H4' H 1 4.365 0.01 . 1 . . . . A 8 DG H4' . 34805 1 63 . 1 . 1 8 8 DG H8 H 1 7.801 0.01 . 1 . . . . A 8 DG H8 . 34805 1 64 . 1 . 1 8 8 DG P P 31 -4.282 0.05 . 1 . . . . A 8 DG P . 34805 1 65 . 1 . 1 9 9 DT H1' H 1 6.074 0.01 . 1 . . . . A 9 DT H1' . 34805 1 66 . 1 . 1 9 9 DT H2' H 1 1.876 0.01 . 2 . . . . A 9 DT H2' . 34805 1 67 . 1 . 1 9 9 DT H2'' H 1 2.440 0.01 . 2 . . . . A 9 DT H2'' . 34805 1 68 . 1 . 1 9 9 DT H3' H 1 4.792 0.01 . 1 . . . . A 9 DT H3' . 34805 1 69 . 1 . 1 9 9 DT H4' H 1 4.216 0.01 . 1 . . . . A 9 DT H4' . 34805 1 70 . 1 . 1 9 9 DT H6 H 1 7.457 0.01 . 1 . . . . A 9 DT H6 . 34805 1 71 . 1 . 1 9 9 DT H71 H 1 1.413 0.01 . 3 . . . . A 9 DT H71 . 34805 1 72 . 1 . 1 9 9 DT H72 H 1 1.413 0.01 . 3 . . . . A 9 DT H72 . 34805 1 73 . 1 . 1 9 9 DT H73 H 1 1.413 0.01 . 3 . . . . A 9 DT H73 . 34805 1 74 . 1 . 1 9 9 DT P P 31 -4.481 0.05 . 1 . . . . A 9 DT P . 34805 1 75 . 1 . 1 10 10 DC H1' H 1 6.036 0.01 . 1 . . . . A 10 DC H1' . 34805 1 76 . 1 . 1 10 10 DC H2' H 1 1.711 0.01 . 1 . . . . A 10 DC H2' . 34805 1 77 . 1 . 1 10 10 DC H2'' H 1 2.259 0.01 . 1 . . . . A 10 DC H2'' . 34805 1 78 . 1 . 1 10 10 DC H3' H 1 4.827 0.01 . 1 . . . . A 10 DC H3' . 34805 1 79 . 1 . 1 10 10 DC H4' H 1 4.245 0.01 . 1 . . . . A 10 DC H4' . 34805 1 80 . 1 . 1 10 10 DC H5 H 1 5.480 0.01 . 1 . . . . A 10 DC H5 . 34805 1 81 . 1 . 1 10 10 DC H6 H 1 7.232 0.01 . 1 . . . . A 10 DC H6 . 34805 1 82 . 1 . 1 10 10 DC P P 31 -4.643 0.05 . 1 . . . . A 10 DC P . 34805 1 83 . 1 . 1 11 11 DG H1' H 1 5.360 0.01 . 1 . . . . A 11 DG H1' . 34805 1 84 . 1 . 1 11 11 DG H2' H 1 2.702 0.01 . 1 . . . . A 11 DG H2' . 34805 1 85 . 1 . 1 11 11 DG H2'' H 1 2.563 0.01 . 1 . . . . A 11 DG H2'' . 34805 1 86 . 1 . 1 11 11 DG H3' H 1 4.920 0.01 . 1 . . . . A 11 DG H3' . 34805 1 87 . 1 . 1 11 11 DG H4' H 1 4.486 0.01 . 1 . . . . A 11 DG H4' . 34805 1 88 . 1 . 1 11 11 DG H8 H 1 8.115 0.01 . 1 . . . . A 11 DG H8 . 34805 1 89 . 1 . 1 11 11 DG P P 31 -4.974 0.05 . 1 . . . . A 11 DG P . 34805 1 90 . 1 . 1 12 12 DA H1' H 1 5.991 0.01 . 1 . . . . A 12 DA H1' . 34805 1 91 . 1 . 1 12 12 DA H2' H 1 2.293 0.01 . 1 . . . . A 12 DA H2' . 34805 1 92 . 1 . 1 12 12 DA H2'' H 1 2.345 0.01 . 1 . . . . A 12 DA H2'' . 34805 1 93 . 1 . 1 12 12 DA H3' H 1 4.595 0.01 . 1 . . . . A 12 DA H3' . 34805 1 94 . 1 . 1 12 12 DA H4' H 1 2.147 0.01 . 1 . . . . A 12 DA H4' . 34805 1 95 . 1 . 1 12 12 DA H5' H 1 3.396 0.01 . 2 . . . . A 12 DA H5' . 34805 1 96 . 1 . 1 12 12 DA H5'' H 1 3.087 0.01 . 2 . . . . A 12 DA H5'' . 34805 1 97 . 1 . 1 12 12 DA H8 H 1 8.150 0.01 . 1 . . . . A 12 DA H8 . 34805 1 98 . 1 . 1 12 12 DA P P 31 -4.659 0.05 . 1 . . . . A 12 DA P . 34805 1 99 . 1 . 1 13 13 DA H1' H 1 6.240 0.01 . 1 . . . . A 13 DA H1' . 34805 1 100 . 1 . 1 13 13 DA H2 H 1 8.088 0.01 . 1 . . . . A 13 DA H2 . 34805 1 101 . 1 . 1 13 13 DA H2' H 1 2.863 0.01 . 2 . . . . A 13 DA H2' . 34805 1 102 . 1 . 1 13 13 DA H2'' H 1 2.862 0.01 . 2 . . . . A 13 DA H2'' . 34805 1 103 . 1 . 1 13 13 DA H3' H 1 4.860 0.01 . 1 . . . . A 13 DA H3' . 34805 1 104 . 1 . 1 13 13 DA H4' H 1 4.366 0.01 . 1 . . . . A 13 DA H4' . 34805 1 105 . 1 . 1 13 13 DA H8 H 1 7.986 0.01 . 1 . . . . A 13 DA H8 . 34805 1 106 . 1 . 1 13 13 DA P P 31 -4.756 0.05 . 1 . . . . A 13 DA P . 34805 1 107 . 1 . 1 14 14 DG H1' H 1 5.077 0.01 . 1 . . . . A 14 DG H1' . 34805 1 108 . 1 . 1 14 14 DG H2' H 1 2.637 0.01 . 1 . . . . A 14 DG H2' . 34805 1 109 . 1 . 1 14 14 DG H2'' H 1 2.579 0.01 . 1 . . . . A 14 DG H2'' . 34805 1 110 . 1 . 1 14 14 DG H3' H 1 4.913 0.01 . 1 . . . . A 14 DG H3' . 34805 1 111 . 1 . 1 14 14 DG H4' H 1 4.367 0.01 . 1 . . . . A 14 DG H4' . 34805 1 112 . 1 . 1 14 14 DG H5' H 1 4.274 0.01 . 2 . . . . A 14 DG H5' . 34805 1 113 . 1 . 1 14 14 DG H5'' H 1 4.136 0.01 . 2 . . . . A 14 DG H5'' . 34805 1 114 . 1 . 1 14 14 DG H8 H 1 8.060 0.01 . 1 . . . . A 14 DG H8 . 34805 1 115 . 1 . 1 14 14 DG P P 31 -5.189 0.05 . 1 . . . . A 14 DG P . 34805 1 116 . 1 . 1 15 15 DA H1' H 1 6.249 0.01 . 1 . . . . A 15 DA H1' . 34805 1 117 . 1 . 1 15 15 DA H2 H 1 8.071 0.01 . 1 . . . . A 15 DA H2 . 34805 1 118 . 1 . 1 15 15 DA H2' H 1 2.588 0.01 . 1 . . . . A 15 DA H2' . 34805 1 119 . 1 . 1 15 15 DA H2'' H 1 2.775 0.01 . 1 . . . . A 15 DA H2'' . 34805 1 120 . 1 . 1 15 15 DA H3' H 1 5.034 0.01 . 1 . . . . A 15 DA H3' . 34805 1 121 . 1 . 1 15 15 DA H4' H 1 4.468 0.01 . 1 . . . . A 15 DA H4' . 34805 1 122 . 1 . 1 15 15 DA H5' H 1 4.195 0.01 . 2 . . . . A 15 DA H5' . 34805 1 123 . 1 . 1 15 15 DA H5'' H 1 4.121 0.01 . 2 . . . . A 15 DA H5'' . 34805 1 124 . 1 . 1 15 15 DA H8 H 1 8.193 0.01 . 1 . . . . A 15 DA H8 . 34805 1 125 . 1 . 1 15 15 DA P P 31 -3.699 0.05 . 1 . . . . A 15 DA P . 34805 1 126 . 1 . 1 16 16 DC H1' H 1 5.950 0.01 . 1 . . . . A 16 DC H1' . 34805 1 127 . 1 . 1 16 16 DC H2' H 1 1.975 0.01 . 1 . . . . A 16 DC H2' . 34805 1 128 . 1 . 1 16 16 DC H2'' H 1 2.334 0.01 . 1 . . . . A 16 DC H2'' . 34805 1 129 . 1 . 1 16 16 DC H3' H 1 4.813 0.01 . 1 . . . . A 16 DC H3' . 34805 1 130 . 1 . 1 16 16 DC H4' H 1 4.198 0.01 . 1 . . . . A 16 DC H4' . 34805 1 131 . 1 . 1 16 16 DC H5 H 1 5.022 0.01 . 1 . . . . A 16 DC H5 . 34805 1 132 . 1 . 1 16 16 DC H6 H 1 7.231 0.01 . 1 . . . . A 16 DC H6 . 34805 1 133 . 1 . 1 16 16 DC P P 31 -4.393 0.05 . 1 . . . . A 16 DC P . 34805 1 134 . 1 . 1 17 17 DT H1' H 1 5.444 0.01 . 1 . . . . A 17 DT H1' . 34805 1 135 . 1 . 1 17 17 DT H2' H 1 0.615 0.01 . 1 . . . . A 17 DT H2' . 34805 1 136 . 1 . 1 17 17 DT H2'' H 1 1.566 0.01 . 1 . . . . A 17 DT H2'' . 34805 1 137 . 1 . 1 17 17 DT H3' H 1 4.399 0.01 . 1 . . . . A 17 DT H3' . 34805 1 138 . 1 . 1 17 17 DT H4' H 1 4.183 0.01 . 1 . . . . A 17 DT H4' . 34805 1 139 . 1 . 1 17 17 DT H5' H 1 4.136 0.01 . 2 . . . . A 17 DT H5' . 34805 1 140 . 1 . 1 17 17 DT H5'' H 1 3.700 0.01 . 2 . . . . A 17 DT H5'' . 34805 1 141 . 1 . 1 17 17 DT H6 H 1 6.969 0.01 . 1 . . . . A 17 DT H6 . 34805 1 142 . 1 . 1 17 17 DT H71 H 1 1.343 0.01 . 3 . . . . A 17 DT H71 . 34805 1 143 . 1 . 1 17 17 DT H72 H 1 1.343 0.01 . 3 . . . . A 17 DT H72 . 34805 1 144 . 1 . 1 17 17 DT H73 H 1 1.343 0.01 . 3 . . . . A 17 DT H73 . 34805 1 145 . 1 . 1 17 17 DT P P 31 -5.116 0.05 . 1 . . . . A 17 DT P . 34805 1 146 . 1 . 1 18 18 DG H1' H 1 5.380 0.01 . 1 . . . . A 18 DG H1' . 34805 1 147 . 1 . 1 18 18 DG H2' H 1 2.853 0.01 . 1 . . . . A 18 DG H2' . 34805 1 148 . 1 . 1 18 18 DG H2'' H 1 2.494 0.01 . 1 . . . . A 18 DG H2'' . 34805 1 149 . 1 . 1 18 18 DG H3' H 1 4.980 0.01 . 1 . . . . A 18 DG H3' . 34805 1 150 . 1 . 1 18 18 DG H4' H 1 4.259 0.01 . 1 . . . . A 18 DG H4' . 34805 1 151 . 1 . 1 18 18 DG H5'' H 1 3.841 0.01 . 2 . . . . A 18 DG H5'' . 34805 1 152 . 1 . 1 18 18 DG H8 H 1 7.974 0.01 . 1 . . . . A 18 DG H8 . 34805 1 153 . 1 . 1 18 18 DG P P 31 -4.599 0.05 . 1 . . . . A 18 DG P . 34805 1 154 . 1 . 1 19 19 DC H1' H 1 6.251 0.01 . 1 . . . . A 19 DC H1' . 34805 1 155 . 1 . 1 19 19 DC H2' H 1 2.035 0.01 . 1 . . . . A 19 DC H2' . 34805 1 156 . 1 . 1 19 19 DC H2'' H 1 2.405 0.01 . 1 . . . . A 19 DC H2'' . 34805 1 157 . 1 . 1 19 19 DC H3' H 1 4.969 0.01 . 1 . . . . A 19 DC H3' . 34805 1 158 . 1 . 1 19 19 DC H4' H 1 4.443 0.01 . 1 . . . . A 19 DC H4' . 34805 1 159 . 1 . 1 19 19 DC H5 H 1 5.877 0.01 . 1 . . . . A 19 DC H5 . 34805 1 160 . 1 . 1 19 19 DC H6 H 1 7.600 0.01 . 1 . . . . A 19 DC H6 . 34805 1 161 . 1 . 1 19 19 DC P P 31 -2.962 0.05 . 1 . . . . A 19 DC P . 34805 1 162 . 1 . 1 20 20 DC H1' H 1 6.469 0.01 . 1 . . . . A 20 DC H1' . 34805 1 163 . 1 . 1 20 20 DC H2' H 1 2.774 0.01 . 2 . . . . A 20 DC H2' . 34805 1 164 . 1 . 1 20 20 DC H2'' H 1 2.775 0.01 . 2 . . . . A 20 DC H2'' . 34805 1 165 . 1 . 1 20 20 DC H3' H 1 5.173 0.01 . 1 . . . . A 20 DC H3' . 34805 1 166 . 1 . 1 20 20 DC H4' H 1 4.822 0.01 . 1 . . . . A 20 DC H4' . 34805 1 167 . 1 . 1 20 20 DC H5 H 1 5.886 0.01 . 1 . . . . A 20 DC H5 . 34805 1 168 . 1 . 1 20 20 DC H5' H 1 4.362 0.01 . 2 . . . . A 20 DC H5' . 34805 1 169 . 1 . 1 20 20 DC H5'' H 1 4.087 0.01 . 2 . . . . A 20 DC H5'' . 34805 1 170 . 1 . 1 20 20 DC H6 H 1 7.859 0.01 . 1 . . . . A 20 DC H6 . 34805 1 171 . 1 . 1 20 20 DC P P 31 -4.979 0.05 . 1 . . . . A 20 DC P . 34805 1 172 . 1 . 1 21 21 DA H1' H 1 6.333 0.01 . 1 . . . . A 21 DA H1' . 34805 1 173 . 1 . 1 21 21 DA H2 H 1 8.195 0.01 . 1 . . . . A 21 DA H2 . 34805 1 174 . 1 . 1 21 21 DA H2' H 1 2.171 0.01 . 1 . . . . A 21 DA H2' . 34805 1 175 . 1 . 1 21 21 DA H2'' H 1 2.825 0.01 . 1 . . . . A 21 DA H2'' . 34805 1 176 . 1 . 1 21 21 DA H3' H 1 5.213 0.01 . 1 . . . . A 21 DA H3' . 34805 1 177 . 1 . 1 21 21 DA H4' H 1 4.351 0.01 . 1 . . . . A 21 DA H4' . 34805 1 178 . 1 . 1 21 21 DA H5' H 1 4.476 0.01 . 2 . . . . A 21 DA H5' . 34805 1 179 . 1 . 1 21 21 DA H5'' H 1 4.219 0.01 . 2 . . . . A 21 DA H5'' . 34805 1 180 . 1 . 1 21 21 DA H8 H 1 7.876 0.01 . 1 . . . . A 21 DA H8 . 34805 1 181 . 1 . 1 21 21 DA P P 31 -3.094 0.05 . 1 . . . . A 21 DA P . 34805 1 182 . 1 . 1 22 22 DG H1' H 1 5.960 0.01 . 1 . . . . A 22 DG H1' . 34805 1 183 . 1 . 1 22 22 DG H2' H 1 2.496 0.01 . 2 . . . . A 22 DG H2' . 34805 1 184 . 1 . 1 22 22 DG H2'' H 1 2.525 0.01 . 2 . . . . A 22 DG H2'' . 34805 1 185 . 1 . 1 22 22 DG H3' H 1 4.707 0.01 . 1 . . . . A 22 DG H3' . 34805 1 186 . 1 . 1 22 22 DG H4' H 1 4.372 0.01 . 1 . . . . A 22 DG H4' . 34805 1 187 . 1 . 1 22 22 DG H8 H 1 8.005 0.01 . 1 . . . . A 22 DG H8 . 34805 1 188 . 1 . 1 22 22 DG P P 31 -4.146 0.05 . 1 . . . . A 22 DG P . 34805 1 189 . 1 . 1 23 23 DC H1' H 1 5.507 0.01 . 1 . . . . A 23 DC H1' . 34805 1 190 . 1 . 1 23 23 DC H2' H 1 1.830 0.01 . 1 . . . . A 23 DC H2' . 34805 1 191 . 1 . 1 23 23 DC H2'' H 1 2.304 0.01 . 1 . . . . A 23 DC H2'' . 34805 1 192 . 1 . 1 23 23 DC H3' H 1 4.490 0.01 . 1 . . . . A 23 DC H3' . 34805 1 193 . 1 . 1 23 23 DC H4' H 1 3.532 0.01 . 1 . . . . A 23 DC H4' . 34805 1 194 . 1 . 1 23 23 DC H5 H 1 6.244 0.01 . 1 . . . . A 23 DC H5 . 34805 1 195 . 1 . 1 23 23 DC H5' H 1 3.790 0.01 . 2 . . . . A 23 DC H5' . 34805 1 196 . 1 . 1 23 23 DC H5'' H 1 3.668 0.01 . 2 . . . . A 23 DC H5'' . 34805 1 197 . 1 . 1 23 23 DC H6 H 1 7.683 0.01 . 1 . . . . A 23 DC H6 . 34805 1 198 . 1 . 1 23 23 DC P P 31 -3.730 0.05 . 1 . . . . A 23 DC P . 34805 1 199 . 1 . 1 24 24 DG H1' H 1 5.722 0.01 . 1 . . . . A 24 DG H1' . 34805 1 200 . 1 . 1 24 24 DG H2' H 1 2.577 0.01 . 1 . . . . A 24 DG H2' . 34805 1 201 . 1 . 1 24 24 DG H2'' H 1 2.829 0.01 . 1 . . . . A 24 DG H2'' . 34805 1 202 . 1 . 1 24 24 DG H3' H 1 4.731 0.01 . 1 . . . . A 24 DG H3' . 34805 1 203 . 1 . 1 24 24 DG H4' H 1 4.291 0.01 . 1 . . . . A 24 DG H4' . 34805 1 204 . 1 . 1 24 24 DG H5' H 1 3.850 0.01 . 2 . . . . A 24 DG H5' . 34805 1 205 . 1 . 1 24 24 DG H5'' H 1 3.567 0.01 . 2 . . . . A 24 DG H5'' . 34805 1 206 . 1 . 1 24 24 DG H8 H 1 7.730 0.01 . 1 . . . . A 24 DG H8 . 34805 1 207 . 1 . 1 24 24 DG P P 31 -4.113 0.05 . 1 . . . . A 24 DG P . 34805 1 208 . 1 . 1 25 25 DG H1' H 1 5.218 0.01 . 1 . . . . A 25 DG H1' . 34805 1 209 . 1 . 1 25 25 DG H2' H 1 2.459 0.01 . 1 . . . . A 25 DG H2' . 34805 1 210 . 1 . 1 25 25 DG H2'' H 1 2.328 0.01 . 1 . . . . A 25 DG H2'' . 34805 1 211 . 1 . 1 25 25 DG H3' H 1 4.794 0.01 . 1 . . . . A 25 DG H3' . 34805 1 212 . 1 . 1 25 25 DG H4' H 1 4.031 0.01 . 1 . . . . A 25 DG H4' . 34805 1 213 . 1 . 1 25 25 DG H8 H 1 7.736 0.01 . 1 . . . . A 25 DG H8 . 34805 1 214 . 1 . 1 26 26 DC H1' H 1 6.076 0.01 . 1 . . . . A 26 DC H1' . 34805 1 215 . 1 . 1 26 26 DC H2' H 1 2.210 0.01 . 2 . . . . A 26 DC H2' . 34805 1 216 . 1 . 1 26 26 DC H2'' H 1 2.461 0.01 . 2 . . . . A 26 DC H2'' . 34805 1 217 . 1 . 1 26 26 DC H3' H 1 4.720 0.01 . 1 . . . . A 26 DC H3' . 34805 1 218 . 1 . 1 26 26 DC H4' H 1 3.696 0.01 . 1 . . . . A 26 DC H4' . 34805 1 219 . 1 . 1 26 26 DC H5 H 1 5.659 0.01 . 1 . . . . A 26 DC H5 . 34805 1 220 . 1 . 1 26 26 DC H5' H 1 3.809 0.01 . 2 . . . . A 26 DC H5' . 34805 1 221 . 1 . 1 26 26 DC H5'' H 1 3.777 0.01 . 2 . . . . A 26 DC H5'' . 34805 1 222 . 1 . 1 26 26 DC H6 H 1 7.458 0.01 . 1 . . . . A 26 DC H6 . 34805 1 223 . 1 . 1 26 26 DC P P 31 -3.442 0.05 . 1 . . . . A 26 DC P . 34805 1 224 . 1 . 1 27 27 DT H1' H 1 6.131 0.01 . 1 . . . . A 27 DT H1' . 34805 1 225 . 1 . 1 27 27 DT H2' H 1 1.626 0.01 . 1 . . . . A 27 DT H2' . 34805 1 226 . 1 . 1 27 27 DT H2'' H 1 2.306 0.01 . 1 . . . . A 27 DT H2'' . 34805 1 227 . 1 . 1 27 27 DT H3' H 1 4.651 0.01 . 1 . . . . A 27 DT H3' . 34805 1 228 . 1 . 1 27 27 DT H4' H 1 4.197 0.01 . 1 . . . . A 27 DT H4' . 34805 1 229 . 1 . 1 27 27 DT H5' H 1 4.031 0.01 . 2 . . . . A 27 DT H5' . 34805 1 230 . 1 . 1 27 27 DT H6 H 1 7.244 0.01 . 1 . . . . A 27 DT H6 . 34805 1 231 . 1 . 1 27 27 DT H71 H 1 1.652 0.01 . 3 . . . . A 27 DT H71 . 34805 1 232 . 1 . 1 27 27 DT H72 H 1 1.652 0.01 . 3 . . . . A 27 DT H72 . 34805 1 233 . 1 . 1 27 27 DT H73 H 1 1.652 0.01 . 3 . . . . A 27 DT H73 . 34805 1 234 . 1 . 1 27 27 DT P P 31 -4.902 0.05 . 1 . . . . A 27 DT P . 34805 1 235 . 1 . 1 28 28 DC H1' H 1 6.008 0.01 . 1 . . . . A 28 DC H1' . 34805 1 236 . 1 . 1 28 28 DC H2' H 1 2.146 0.01 . 2 . . . . A 28 DC H2' . 34805 1 237 . 1 . 1 28 28 DC H2'' H 1 2.393 0.01 . 2 . . . . A 28 DC H2'' . 34805 1 238 . 1 . 1 28 28 DC H3' H 1 4.878 0.01 . 1 . . . . A 28 DC H3' . 34805 1 239 . 1 . 1 28 28 DC H4' H 1 4.278 0.01 . 1 . . . . A 28 DC H4' . 34805 1 240 . 1 . 1 28 28 DC H5 H 1 5.617 0.01 . 1 . . . . A 28 DC H5 . 34805 1 241 . 1 . 1 28 28 DC H5' H 1 3.964 0.01 . 2 . . . . A 28 DC H5' . 34805 1 242 . 1 . 1 28 28 DC H6 H 1 7.300 0.01 . 1 . . . . A 28 DC H6 . 34805 1 243 . 1 . 1 28 28 DC P P 31 -4.750 0.05 . 1 . . . . A 28 DC P . 34805 1 244 . 1 . 1 29 29 DG H3' H 1 5.013 0.01 . 1 . . . . A 29 DG H3' . 34805 1 245 . 1 . 1 29 29 DG H4' H 1 4.509 0.01 . 1 . . . . A 29 DG H4' . 34805 1 246 . 1 . 1 29 29 DG H8 H 1 8.111 0.01 . 1 . . . . A 29 DG H8 . 34805 1 247 . 1 . 1 29 29 DG P P 31 -5.175 0.05 . 1 . . . . A 29 DG P . 34805 1 248 . 1 . 1 30 30 DA H1' H 1 5.149 0.01 . 1 . . . . A 30 DA H1' . 34805 1 249 . 1 . 1 30 30 DA H2 H 1 8.476 0.01 . 1 . . . . A 30 DA H2 . 34805 1 250 . 1 . 1 30 30 DA H2' H 1 1.424 0.01 . 2 . . . . A 30 DA H2' . 34805 1 251 . 1 . 1 30 30 DA H2'' H 1 2.327 0.01 . 2 . . . . A 30 DA H2'' . 34805 1 252 . 1 . 1 30 30 DA H3' H 1 4.675 0.01 . 1 . . . . A 30 DA H3' . 34805 1 253 . 1 . 1 30 30 DA H4' H 1 3.335 0.01 . 1 . . . . A 30 DA H4' . 34805 1 254 . 1 . 1 30 30 DA H5' H 1 3.944 0.01 . 2 . . . . A 30 DA H5' . 34805 1 255 . 1 . 1 30 30 DA H5'' H 1 3.677 0.01 . 2 . . . . A 30 DA H5'' . 34805 1 256 . 1 . 1 30 30 DA H8 H 1 8.122 0.01 . 1 . . . . A 30 DA H8 . 34805 1 257 . 1 . 1 30 30 DA P P 31 -2.817 0.05 . 1 . . . . A 30 DA P . 34805 1 258 . 1 . 1 31 31 DC H1' H 1 5.010 0.01 . 1 . . . . A 31 DC H1' . 34805 1 259 . 1 . 1 31 31 DC H2' H 1 2.114 0.01 . 1 . . . . A 31 DC H2' . 34805 1 260 . 1 . 1 31 31 DC H2'' H 1 2.307 0.01 . 1 . . . . A 31 DC H2'' . 34805 1 261 . 1 . 1 31 31 DC H3' H 1 4.799 0.01 . 1 . . . . A 31 DC H3' . 34805 1 262 . 1 . 1 31 31 DC H4' H 1 3.980 0.01 . 1 . . . . A 31 DC H4' . 34805 1 263 . 1 . 1 31 31 DC H5 H 1 5.757 0.01 . 1 . . . . A 31 DC H5 . 34805 1 264 . 1 . 1 31 31 DC H5'' H 1 3.837 0.01 . 2 . . . . A 31 DC H5'' . 34805 1 265 . 1 . 1 31 31 DC H6 H 1 7.402 0.01 . 1 . . . . A 31 DC H6 . 34805 1 266 . 1 . 1 31 31 DC P P 31 -4.943 0.05 . 1 . . . . A 31 DC P . 34805 1 267 . 1 . 1 32 32 DG H1' H 1 5.717 0.01 . 1 . . . . A 32 DG H1' . 34805 1 268 . 1 . 1 32 32 DG H2' H 1 2.732 0.01 . 1 . . . . A 32 DG H2' . 34805 1 269 . 1 . 1 32 32 DG H2'' H 1 2.838 0.01 . 1 . . . . A 32 DG H2'' . 34805 1 270 . 1 . 1 32 32 DG H3' H 1 5.046 0.01 . 1 . . . . A 32 DG H3' . 34805 1 271 . 1 . 1 32 32 DG H4' H 1 4.426 0.01 . 1 . . . . A 32 DG H4' . 34805 1 272 . 1 . 1 32 32 DG H5' H 1 4.133 0.01 . 2 . . . . A 32 DG H5' . 34805 1 273 . 1 . 1 32 32 DG H5'' H 1 4.033 0.01 . 2 . . . . A 32 DG H5'' . 34805 1 274 . 1 . 1 32 32 DG H8 H 1 7.902 0.01 . 1 . . . . A 32 DG H8 . 34805 1 275 . 1 . 1 32 32 DG P P 31 -3.736 0.05 . 1 . . . . A 32 DG P . 34805 1 276 . 1 . 1 33 33 DG H1' H 1 5.906 0.01 . 1 . . . . A 33 DG H1' . 34805 1 277 . 1 . 1 33 33 DG H2' H 1 2.595 0.01 . 1 . . . . A 33 DG H2' . 34805 1 278 . 1 . 1 33 33 DG H2'' H 1 2.739 0.01 . 1 . . . . A 33 DG H2'' . 34805 1 279 . 1 . 1 33 33 DG H3' H 1 5.023 0.01 . 1 . . . . A 33 DG H3' . 34805 1 280 . 1 . 1 33 33 DG H4' H 1 4.431 0.01 . 1 . . . . A 33 DG H4' . 34805 1 281 . 1 . 1 33 33 DG H8 H 1 7.809 0.01 . 1 . . . . A 33 DG H8 . 34805 1 282 . 1 . 1 33 33 DG P P 31 -4.402 0.05 . 1 . . . . A 33 DG P . 34805 1 283 . 1 . 1 34 34 DC H1' H 1 5.794 0.01 . 1 . . . . A 34 DC H1' . 34805 1 284 . 1 . 1 34 34 DC H2' H 1 1.923 0.01 . 1 . . . . A 34 DC H2' . 34805 1 285 . 1 . 1 34 34 DC H2'' H 1 2.367 0.01 . 1 . . . . A 34 DC H2'' . 34805 1 286 . 1 . 1 34 34 DC H3' H 1 4.834 0.01 . 1 . . . . A 34 DC H3' . 34805 1 287 . 1 . 1 34 34 DC H4' H 1 4.172 0.01 . 1 . . . . A 34 DC H4' . 34805 1 288 . 1 . 1 34 34 DC H5 H 1 5.448 0.01 . 1 . . . . A 34 DC H5 . 34805 1 289 . 1 . 1 34 34 DC H6 H 1 7.327 0.01 . 1 . . . . A 34 DC H6 . 34805 1 290 . 1 . 1 34 34 DC P P 31 -4.230 0.05 . 1 . . . . A 34 DC P . 34805 1 291 . 1 . 1 35 35 DG H1' H 1 6.188 0.01 . 1 . . . . A 35 DG H1' . 34805 1 292 . 1 . 1 35 35 DG H2' H 1 2.633 0.01 . 1 . . . . A 35 DG H2' . 34805 1 293 . 1 . 1 35 35 DG H2'' H 1 2.405 0.01 . 1 . . . . A 35 DG H2'' . 34805 1 294 . 1 . 1 35 35 DG H3' H 1 4.699 0.01 . 1 . . . . A 35 DG H3' . 34805 1 295 . 1 . 1 35 35 DG H4' H 1 4.195 0.01 . 1 . . . . A 35 DG H4' . 34805 1 296 . 1 . 1 35 35 DG H5' H 1 4.104 0.01 . 2 . . . . A 35 DG H5' . 34805 1 297 . 1 . 1 35 35 DG H8 H 1 7.949 0.01 . 1 . . . . A 35 DG H8 . 34805 1 298 . 1 . 1 35 35 DG P P 31 -4.095 0.05 . 1 . . . . A 35 DG P . 34805 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34805 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 34805 2 2 '2D 1H-31P COSY' . . . 34805 2 3 '2D 1H-1H TOCSY' . . . 34805 2 4 '2D 1H-13C HSQC' . . . 34805 2 5 '2D 1H-1H NOESY' . . . 34805 2 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 2 2 DG H1 H 1 13.107 0.01 . 1 . . . . A 2 DG H1 . 34805 2 2 . 1 . 1 3 3 DC H41 H 1 8.190 0.01 . 1 . . . . A 3 DC H41 . 34805 2 3 . 1 . 1 3 3 DC H42 H 1 6.458 0.01 . 1 . . . . A 3 DC H42 . 34805 2 4 . 1 . 1 4 4 DC H41 H 1 8.450 0.01 . 1 . . . . A 4 DC H41 . 34805 2 5 . 1 . 1 4 4 DC H42 H 1 6.922 0.01 . 1 . . . . A 4 DC H42 . 34805 2 6 . 1 . 1 5 5 DG H1 H 1 12.917 0.01 . 1 . . . . A 5 DG H1 . 34805 2 7 . 1 . 1 7 7 DG H1 H 1 11.708 0.01 . 1 . . . . A 7 DG H1 . 34805 2 8 . 1 . 1 8 8 DG H1 H 1 12.798 0.01 . 1 . . . . A 8 DG H1 . 34805 2 9 . 1 . 1 9 9 DT H3 H 1 13.913 0.01 . 1 . . . . A 9 DT H3 . 34805 2 10 . 1 . 1 10 10 DC H41 H 1 8.500 0.01 . 1 . . . . A 10 DC H41 . 34805 2 11 . 1 . 1 10 10 DC H42 H 1 7.146 0.01 . 1 . . . . A 10 DC H42 . 34805 2 12 . 1 . 1 14 14 DG H1 H 1 12.967 0.01 . 1 . . . . A 14 DG H1 . 34805 2 13 . 1 . 1 16 16 DC H41 H 1 8.100 0.01 . 1 . . . . A 16 DC H41 . 34805 2 14 . 1 . 1 16 16 DC H42 H 1 6.725 0.01 . 1 . . . . A 16 DC H42 . 34805 2 15 . 1 . 1 17 17 DT H3 H 1 10.744 0.01 . 1 . . . . A 17 DT H3 . 34805 2 16 . 1 . 1 18 18 DG H1 H 1 12.911 0.01 . 1 . . . . A 18 DG H1 . 34805 2 17 . 1 . 1 19 19 DC H41 H 1 7.736 0.01 . 1 . . . . A 19 DC H41 . 34805 2 18 . 1 . 1 19 19 DC H42 H 1 6.716 0.01 . 1 . . . . A 19 DC H42 . 34805 2 19 . 1 . 1 20 20 DC H41 H 1 8.918 0.01 . 1 . . . . A 20 DC H41 . 34805 2 20 . 1 . 1 20 20 DC H42 H 1 7.075 0.01 . 1 . . . . A 20 DC H42 . 34805 2 21 . 1 . 1 22 22 DG H1 H 1 13.162 0.01 . 1 . . . . A 22 DG H1 . 34805 2 22 . 1 . 1 23 23 DC H41 H 1 8.986 0.01 . 1 . . . . A 23 DC H41 . 34805 2 23 . 1 . 1 24 24 DG H1 H 1 13.216 0.01 . 1 . . . . A 24 DG H1 . 34805 2 24 . 1 . 1 25 25 DG H1 H 1 12.532 0.01 . 1 . . . . A 25 DG H1 . 34805 2 25 . 1 . 1 26 26 DC H41 H 1 8.055 0.01 . 1 . . . . A 26 DC H41 . 34805 2 26 . 1 . 1 26 26 DC H42 H 1 6.799 0.01 . 1 . . . . A 26 DC H42 . 34805 2 27 . 1 . 1 27 27 DT H3 H 1 10.808 0.01 . 1 . . . . A 27 DT H3 . 34805 2 28 . 1 . 1 28 28 DC H41 H 1 8.687 0.01 . 1 . . . . A 28 DC H41 . 34805 2 29 . 1 . 1 28 28 DC H42 H 1 7.271 0.01 . 1 . . . . A 28 DC H42 . 34805 2 30 . 1 . 1 29 29 DG H1 H 1 10.972 0.01 . 1 . . . . A 29 DG H1 . 34805 2 31 . 1 . 1 31 31 DC H41 H 1 8.488 0.01 . 1 . . . . A 31 DC H41 . 34805 2 32 . 1 . 1 31 31 DC H42 H 1 7.041 0.01 . 1 . . . . A 31 DC H42 . 34805 2 33 . 1 . 1 32 32 DG H1 H 1 13.236 0.01 . 1 . . . . A 32 DG H1 . 34805 2 34 . 1 . 1 33 33 DG H1 H 1 13.051 0.01 . 1 . . . . A 33 DG H1 . 34805 2 35 . 1 . 1 34 34 DC H41 H 1 8.459 0.01 . 1 . . . . A 34 DC H41 . 34805 2 36 . 1 . 1 34 34 DC H42 H 1 6.651 0.01 . 1 . . . . A 34 DC H42 . 34805 2 stop_ save_