data_30473 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30473 _Entry.Title ; NMR structure for Sp1 transcription factor duplex 5'-d(GGGGCGGGG) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-04 _Entry.Accession_date 2018-06-04 _Entry.Last_release_date 2018-06-29 _Entry.Original_release_date 2018-06-29 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30473 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 E. Davis E. V. . . 30473 2 M. Hennig M. . . . 30473 3 D. Arya D. P. . . 30473 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 30473 'Sp1 Consensus Sequence' . 30473 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30473 spectral_peak_list 1 30473 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 70 30473 '1H chemical shifts' 164 30473 '31P chemical shifts' 10 30473 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 . . 2019-06-07 . original BMRB . 30473 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6DM7 . 30473 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30473 _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 ; An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences ; _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 . _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 E. Davis E. V. . . 30473 1 2 M. Hennig M. . . . 30473 1 3 D. Arya D. P. . . 30473 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30473 _Assembly.ID 1 _Assembly.Name "Sp1 transcription factor duplex 5'-d(GGGGCGGGG)" _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 . . . . . . 30473 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30473 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30473 _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 ; GGGGCGGGG ; _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 9 _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 2877.871 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Heterodimer Watson-Crick DNA duplex chain A' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DG . 30473 1 2 . DG . 30473 1 3 . DG . 30473 1 4 . DG . 30473 1 5 . DC . 30473 1 6 . DG . 30473 1 7 . DG . 30473 1 8 . DG . 30473 1 9 . DG . 30473 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DG 1 1 30473 1 . DG 2 2 30473 1 . DG 3 3 30473 1 . DG 4 4 30473 1 . DC 5 5 30473 1 . DG 6 6 30473 1 . DG 7 7 30473 1 . DG 8 8 30473 1 . DG 9 9 30473 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30473 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CCCCGCCCC ; _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2597.703 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Heterodimer Watson-Crick DNA duplex chain B' _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 . 30473 2 2 . DC . 30473 2 3 . DC . 30473 2 4 . DC . 30473 2 5 . DG . 30473 2 6 . DC . 30473 2 7 . DC . 30473 2 8 . DC . 30473 2 9 . DC . 30473 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DC 1 1 30473 2 . DC 2 2 30473 2 . DC 3 3 30473 2 . DC 4 4 30473 2 . DG 5 5 30473 2 . DC 6 6 30473 2 . DC 7 7 30473 2 . DC 8 8 30473 2 . DC 9 9 30473 2 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 30473 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 30473 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 30473 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 30473 _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' . . . . . . . . . . . . . . . . 30473 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30473 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30473 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM DNA, 25 mM NaCl, 5.0 mM Na Phosphate 0.5 mM EDTA pH 7.0, 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 entity_1 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 30473 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 30473 1 3 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 30473 1 4 'Na Phosphate' 'natural abundance' . . . . . . 5.0 . . mM . . . . 30473 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30473 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30473 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '680 uM DNA, 25 mM NaCl, 5.0 mM Na Phosphate 0.5 mM EDTA pH 7.0, 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 entity_1 'natural abundance' . . 1 $entity_1 . . 680 . . uM . . . . 30473 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 680 . . uM . . . . 30473 2 3 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 30473 2 4 'Na Phosphate' 'natural abundance' . . . . . . 5.0 . . mM . . . . 30473 2 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30473 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 30473 _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' 30 . mM 30473 1 pH 7.0 . pH 30473 1 pressure 1 . atm 30473 1 temperature 298 . K 30473 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30473 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version 14.0 _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' . . 30473 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30473 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30473 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30473 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30473 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30473 _Software.ID 3 _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 . . 30473 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30473 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30473 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30473 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30473 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30473 _Software.ID 5 _Software.Type . _Software.Name 3DNA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Lu . . 30473 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30473 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30473 _Software.ID 6 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30473 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30473 6 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 30473 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 30473 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30473 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 30473 _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 Bruker Avance . 800 . . . 30473 1 2 NMR_spectrometer_2 Bruker AvanceII . 600 . . . 30473 1 3 NMR_spectrometer_3 Bruker AvanceIII . 850 . . . 30473 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 30473 _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 DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30473 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30473 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30473 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30473 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30473 1 6 '2D ECOSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30473 1 7 '2D PhCOSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30473 1 8 '2D PhTOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30473 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 30473 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal indirect water.' 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 water protons . . . . Hz 4.76 internal indirect 1.0 . . . . . 30473 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 30473 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.005 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err 0.005 _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method SPARKY _Assigned_chem_shift_list.Details '3 percent were higher than 0.005 at less than or equal to 0.011 ppm' _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 DQF-COSY' . . . 30473 1 2 '2D 1H-1H TOCSY' . . . 30473 1 3 '2D 1H-13C HSQC' . . . 30473 1 4 '2D 1H-1H NOESY' . . . 30473 1 5 '2D 1H-1H NOESY' . . . 30473 1 6 '2D ECOSY' . . . 30473 1 7 '2D PhCOSY' . . . 30473 1 8 '2D PhTOCSY' . . . 30473 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 DG H1' H 1 5.673 0.001 . 1 . . . . A 1 DG H1' . 30473 1 2 . 1 1 1 1 DG H2' H 1 2.476 0.000 . . . . . . A 1 DG H2' . 30473 1 3 . 1 1 1 1 DG H2'' H 1 2.635 0.003 . . . . . . A 1 DG H2'' . 30473 1 4 . 1 1 1 1 DG H3' H 1 4.812 0.002 . 1 . . . . A 1 DG H3' . 30473 1 5 . 1 1 1 1 DG H8 H 1 7.857 0.001 . 1 . . . . A 1 DG H8 . 30473 1 6 . 1 1 1 1 DG C1' C 13 85.527 0.000 . 1 . . . . A 1 DG C1' . 30473 1 7 . 1 1 1 1 DG C3' C 13 79.246 0.000 . 1 . . . . A 1 DG C3' . 30473 1 8 . 1 1 1 1 DG C8 C 13 139.091 0.000 . 1 . . . . A 1 DG C8 . 30473 1 9 . 1 1 2 2 DG H1 H 1 13.122 0.000 . 1 . . . . A 2 DG H1 . 30473 1 10 . 1 1 2 2 DG H1' H 1 5.667 0.002 . 1 . . . . A 2 DG H1' . 30473 1 11 . 1 1 2 2 DG H2'' H 1 2.785 0.004 . . . . . . A 2 DG H2'' . 30473 1 12 . 1 1 2 2 DG H3' H 1 5.002 0.002 . 1 . . . . A 2 DG H3' . 30473 1 13 . 1 1 2 2 DG H4' H 1 4.375 0.001 . 1 . . . . A 2 DG H4' . 30473 1 14 . 1 1 2 2 DG H5'' H 1 4.070 0.002 . . . . . . A 2 DG H5'' . 30473 1 15 . 1 1 2 2 DG H8 H 1 7.822 0.001 . 1 . . . . A 2 DG H8 . 30473 1 16 . 1 1 2 2 DG C1' C 13 84.467 0.000 . 1 . . . . A 2 DG C1' . 30473 1 17 . 1 1 2 2 DG C3' C 13 79.180 0.000 . 1 . . . . A 2 DG C3' . 30473 1 18 . 1 1 2 2 DG C8 C 13 138.085 0.000 . 1 . . . . A 2 DG C8 . 30473 1 19 . 1 1 2 2 DG P P 31 -3.849 0.000 . 1 . . . . A 2 DG P . 30473 1 20 . 1 1 3 3 DG H1 H 1 13.130 0.006 . 1 . . . . A 3 DG H1 . 30473 1 21 . 1 1 3 3 DG H1' H 1 5.793 0.002 . 1 . . . . A 3 DG H1' . 30473 1 22 . 1 1 3 3 DG H2' H 1 2.640 0.002 . . . . . . A 3 DG H2' . 30473 1 23 . 1 1 3 3 DG H2'' H 1 2.784 0.002 . . . . . . A 3 DG H2'' . 30473 1 24 . 1 1 3 3 DG H3' H 1 5.018 0.005 . 1 . . . . A 3 DG H3' . 30473 1 25 . 1 1 3 3 DG H4' H 1 4.420 0.001 . 1 . . . . A 3 DG H4' . 30473 1 26 . 1 1 3 3 DG H5' H 1 4.206 0.004 . . . . . . A 3 DG H5' . 30473 1 27 . 1 1 3 3 DG H8 H 1 7.730 0.002 . 1 . . . . A 3 DG H8 . 30473 1 28 . 1 1 3 3 DG C1' C 13 84.364 0.000 . 1 . . . . A 3 DG C1' . 30473 1 29 . 1 1 3 3 DG C3' C 13 79.179 0.000 . 1 . . . . A 3 DG C3' . 30473 1 30 . 1 1 3 3 DG C8 C 13 137.803 0.000 . 1 . . . . A 3 DG C8 . 30473 1 31 . 1 1 4 4 DG H1 H 1 13.007 0.010 . 1 . . . . A 4 DG H1 . 30473 1 32 . 1 1 4 4 DG H1' H 1 5.921 0.004 . 1 . . . . A 4 DG H1' . 30473 1 33 . 1 1 4 4 DG H2' H 1 2.554 0.001 . . . . . . A 4 DG H2' . 30473 1 34 . 1 1 4 4 DG H2'' H 1 2.745 0.005 . . . . . . A 4 DG H2'' . 30473 1 35 . 1 1 4 4 DG H3' H 1 4.995 0.001 . 1 . . . . A 4 DG H3' . 30473 1 36 . 1 1 4 4 DG H4' H 1 4.424 0.003 . 1 . . . . A 4 DG H4' . 30473 1 37 . 1 1 4 4 DG H8 H 1 7.724 0.002 . 1 . . . . A 4 DG H8 . 30473 1 38 . 1 1 4 4 DG C1' C 13 84.629 0.000 . 1 . . . . A 4 DG C1' . 30473 1 39 . 1 1 4 4 DG C3' C 13 79.299 0.000 . 1 . . . . A 4 DG C3' . 30473 1 40 . 1 1 4 4 DG C8 C 13 137.511 0.000 . 1 . . . . A 4 DG C8 . 30473 1 41 . 1 1 4 4 DG P P 31 -4.091 0.000 . 1 . . . . A 4 DG P . 30473 1 42 . 1 1 5 5 DC H1' H 1 5.705 0.002 . 1 . . . . A 5 DC H1' . 30473 1 43 . 1 1 5 5 DC H2' H 1 1.879 0.001 . . . . . . A 5 DC H2' . 30473 1 44 . 1 1 5 5 DC H2'' H 1 2.315 0.002 . . . . . . A 5 DC H2'' . 30473 1 45 . 1 1 5 5 DC H3' H 1 4.846 0.001 . 1 . . . . A 5 DC H3' . 30473 1 46 . 1 1 5 5 DC H4' H 1 4.146 0.002 . 1 . . . . A 5 DC H4' . 30473 1 47 . 1 1 5 5 DC H5 H 1 5.275 0.007 . 1 . . . . A 5 DC H5 . 30473 1 48 . 1 1 5 5 DC H5' H 1 4.218 0.003 . . . . . . A 5 DC H5' . 30473 1 49 . 1 1 5 5 DC H5'' H 1 4.141 0.003 . . . . . . A 5 DC H5'' . 30473 1 50 . 1 1 5 5 DC H6 H 1 7.248 0.002 . 1 . . . . A 5 DC H6 . 30473 1 51 . 1 1 5 5 DC H41 H 1 8.389 0.001 . . . . . . A 5 DC H41 . 30473 1 52 . 1 1 5 5 DC H42 H 1 6.373 0.001 . . . . . . A 5 DC H42 . 30473 1 53 . 1 1 5 5 DC C1' C 13 86.351 0.000 . 1 . . . . A 5 DC C1' . 30473 1 54 . 1 1 5 5 DC C3' C 13 76.984 0.000 . 1 . . . . A 5 DC C3' . 30473 1 55 . 1 1 5 5 DC C5 C 13 98.476 0.000 . 1 . . . . A 5 DC C5 . 30473 1 56 . 1 1 5 5 DC C6 C 13 142.388 0.000 . 1 . . . . A 5 DC C6 . 30473 1 57 . 1 1 6 6 DG H1 H 1 13.170 0.001 . 1 . . . . A 6 DG H1 . 30473 1 58 . 1 1 6 6 DG H1' H 1 5.504 0.001 . 1 . . . . A 6 DG H1' . 30473 1 59 . 1 1 6 6 DG H2' H 1 2.641 0.001 . . . . . . A 6 DG H2' . 30473 1 60 . 1 1 6 6 DG H2'' H 1 2.704 0.002 . . . . . . A 6 DG H2'' . 30473 1 61 . 1 1 6 6 DG H3' H 1 4.969 0.001 . 1 . . . . A 6 DG H3' . 30473 1 62 . 1 1 6 6 DG H4' H 1 4.311 0.001 . 1 . . . . A 6 DG H4' . 30473 1 63 . 1 1 6 6 DG H5' H 1 4.148 0.002 . . . . . . A 6 DG H5' . 30473 1 64 . 1 1 6 6 DG H5'' H 1 4.082 0.005 . . . . . . A 6 DG H5'' . 30473 1 65 . 1 1 6 6 DG H8 H 1 7.834 0.002 . 1 . . . . A 6 DG H8 . 30473 1 66 . 1 1 6 6 DG C1' C 13 84.247 0.000 . 1 . . . . A 6 DG C1' . 30473 1 67 . 1 1 6 6 DG C3' C 13 79.346 0.000 . 1 . . . . A 6 DG C3' . 30473 1 68 . 1 1 6 6 DG C4' C 13 87.259 0.000 . 1 . . . . A 6 DG C4' . 30473 1 69 . 1 1 6 6 DG C8 C 13 138.382 0.000 . 1 . . . . A 6 DG C8 . 30473 1 70 . 1 1 6 6 DG P P 31 -3.885 0.000 . 1 . . . . A 6 DG P . 30473 1 71 . 1 1 7 7 DG H1 H 1 13.170 0.002 . 1 . . . . A 7 DG H1 . 30473 1 72 . 1 1 7 7 DG H1' H 1 5.639 0.003 . 1 . . . . A 7 DG H1' . 30473 1 73 . 1 1 7 7 DG H2' H 1 2.566 0.003 . . . . . . A 7 DG H2' . 30473 1 74 . 1 1 7 7 DG H2'' H 1 2.697 0.001 . . . . . . A 7 DG H2'' . 30473 1 75 . 1 1 7 7 DG H3' H 1 4.983 0.005 . 1 . . . . A 7 DG H3' . 30473 1 76 . 1 1 7 7 DG H4' H 1 4.367 0.003 . 1 . . . . A 7 DG H4' . 30473 1 77 . 1 1 7 7 DG H5' H 1 4.142 0.000 . . . . . . A 7 DG H5' . 30473 1 78 . 1 1 7 7 DG H5'' H 1 4.102 0.006 . . . . . . A 7 DG H5'' . 30473 1 79 . 1 1 7 7 DG H8 H 1 7.711 0.003 . 1 . . . . A 7 DG H8 . 30473 1 80 . 1 1 7 7 DG C1' C 13 84.347 0.000 . 1 . . . . A 7 DG C1' . 30473 1 81 . 1 1 7 7 DG C3' C 13 79.126 0.000 . 1 . . . . A 7 DG C3' . 30473 1 82 . 1 1 7 7 DG C8 C 13 137.892 0.000 . 1 . . . . A 7 DG C8 . 30473 1 83 . 1 1 8 8 DG H1 H 1 13.172 0.000 . 1 . . . . A 8 DG H1 . 30473 1 84 . 1 1 8 8 DG H1' H 1 5.759 0.001 . 1 . . . . A 8 DG H1' . 30473 1 85 . 1 1 8 8 DG H2' H 1 2.567 0.002 . . . . . . A 8 DG H2' . 30473 1 86 . 1 1 8 8 DG H2'' H 1 2.730 0.002 . . . . . . A 8 DG H2'' . 30473 1 87 . 1 1 8 8 DG H3' H 1 4.971 0.004 . 1 . . . . A 8 DG H3' . 30473 1 88 . 1 1 8 8 DG H4' H 1 4.376 0.001 . 1 . . . . A 8 DG H4' . 30473 1 89 . 1 1 8 8 DG H5'' H 1 4.150 0.002 . . . . . . A 8 DG H5'' . 30473 1 90 . 1 1 8 8 DG H8 H 1 7.696 0.003 . 1 . . . . A 8 DG H8 . 30473 1 91 . 1 1 8 8 DG C1' C 13 84.340 0.000 . 1 . . . . A 8 DG C1' . 30473 1 92 . 1 1 8 8 DG C3' C 13 78.841 0.000 . 1 . . . . A 8 DG C3' . 30473 1 93 . 1 1 8 8 DG C8 C 13 137.856 0.000 . 1 . . . . A 8 DG C8 . 30473 1 94 . 1 1 9 9 DG H1' H 1 6.154 0.001 . 1 . . . . A 9 DG H1' . 30473 1 95 . 1 1 9 9 DG H2' H 1 2.359 0.002 . . . . . . A 9 DG H2' . 30473 1 96 . 1 1 9 9 DG H2'' H 1 2.481 0.002 . . . . . . A 9 DG H2'' . 30473 1 97 . 1 1 9 9 DG H3' H 1 4.638 0.001 . 1 . . . . A 9 DG H3' . 30473 1 98 . 1 1 9 9 DG H4' H 1 4.212 0.001 . 1 . . . . A 9 DG H4' . 30473 1 99 . 1 1 9 9 DG H5' H 1 4.232 0.003 . . . . . . A 9 DG H5' . 30473 1 100 . 1 1 9 9 DG H5'' H 1 4.128 0.004 . . . . . . A 9 DG H5'' . 30473 1 101 . 1 1 9 9 DG H8 H 1 7.747 0.003 . 1 . . . . A 9 DG H8 . 30473 1 102 . 1 1 9 9 DG C1' C 13 84.855 0.000 . 1 . . . . A 9 DG C1' . 30473 1 103 . 1 1 9 9 DG C3' C 13 72.786 0.000 . 1 . . . . A 9 DG C3' . 30473 1 104 . 1 1 9 9 DG C4' C 13 87.714 0.000 . 1 . . . . A 9 DG C4' . 30473 1 105 . 1 1 9 9 DG C8 C 13 138.602 0.000 . 1 . . . . A 9 DG C8 . 30473 1 106 . 1 1 9 9 DG P P 31 -3.819 0.000 . 1 . . . . A 9 DG P . 30473 1 107 . 2 2 1 1 DC H1' H 1 6.014 0.003 . 1 . . . . B 10 DC H1' . 30473 1 108 . 2 2 1 1 DC H2' H 1 2.195 0.002 . . . . . . B 10 DC H2' . 30473 1 109 . 2 2 1 1 DC H2'' H 1 2.575 0.003 . . . . . . B 10 DC H2'' . 30473 1 110 . 2 2 1 1 DC H3' H 1 4.694 0.002 . 1 . . . . B 10 DC H3' . 30473 1 111 . 2 2 1 1 DC H4' H 1 4.148 0.002 . 1 . . . . B 10 DC H4' . 30473 1 112 . 2 2 1 1 DC H5 H 1 6.011 0.010 . 1 . . . . B 10 DC H5 . 30473 1 113 . 2 2 1 1 DC H5' H 1 3.830 0.004 . . . . . . B 10 DC H5' . 30473 1 114 . 2 2 1 1 DC H5'' H 1 3.789 0.001 . . . . . . B 10 DC H5'' . 30473 1 115 . 2 2 1 1 DC H6 H 1 7.838 0.002 . 1 . . . . B 10 DC H6 . 30473 1 116 . 2 2 1 1 DC H42 H 1 6.876 0.000 . . . . . . B 10 DC H42 . 30473 1 117 . 2 2 1 1 DC C1' C 13 88.202 0.000 . 1 . . . . B 10 DC C1' . 30473 1 118 . 2 2 1 1 DC C3' C 13 77.277 0.000 . 1 . . . . B 10 DC C3' . 30473 1 119 . 2 2 1 1 DC C5 C 13 99.523 0.000 . 1 . . . . B 10 DC C5 . 30473 1 120 . 2 2 1 1 DC C6 C 13 143.155 0.000 . 1 . . . . B 10 DC C6 . 30473 1 121 . 2 2 2 2 DC H1' H 1 6.032 0.004 . 1 . . . . B 11 DC H1' . 30473 1 122 . 2 2 2 2 DC H2' H 1 2.262 0.002 . . . . . . B 11 DC H2' . 30473 1 123 . 2 2 2 2 DC H2'' H 1 2.503 0.002 . . . . . . B 11 DC H2'' . 30473 1 124 . 2 2 2 2 DC H3' H 1 4.880 0.002 . 1 . . . . B 11 DC H3' . 30473 1 125 . 2 2 2 2 DC H4' H 1 4.234 0.001 . 1 . . . . B 11 DC H4' . 30473 1 126 . 2 2 2 2 DC H5 H 1 5.719 0.010 . 1 . . . . B 11 DC H5 . 30473 1 127 . 2 2 2 2 DC H5' H 1 4.234 0.000 . . . . . . B 11 DC H5' . 30473 1 128 . 2 2 2 2 DC H5'' H 1 4.088 0.003 . . . . . . B 11 DC H5'' . 30473 1 129 . 2 2 2 2 DC H6 H 1 7.676 0.004 . 1 . . . . B 11 DC H6 . 30473 1 130 . 2 2 2 2 DC H41 H 1 8.463 0.001 . . . . . . B 11 DC H41 . 30473 1 131 . 2 2 2 2 DC H42 H 1 6.876 0.000 . . . . . . B 11 DC H42 . 30473 1 132 . 2 2 2 2 DC C1' C 13 87.041 0.000 . 1 . . . . B 11 DC C1' . 30473 1 133 . 2 2 2 2 DC C3' C 13 78.649 0.000 . 1 . . . . B 11 DC C3' . 30473 1 134 . 2 2 2 2 DC C4' C 13 86.315 0.000 . 1 . . . . B 11 DC C4' . 30473 1 135 . 2 2 2 2 DC C5 C 13 98.997 0.000 . 1 . . . . B 11 DC C5 . 30473 1 136 . 2 2 2 2 DC C6 C 13 143.415 0.000 . 1 . . . . B 11 DC C6 . 30473 1 137 . 2 2 2 2 DC P P 31 -4.058 0.000 . 1 . . . . B 11 DC P . 30473 1 138 . 2 2 3 3 DC H1' H 1 6.000 0.002 . 1 . . . . B 12 DC H1' . 30473 1 139 . 2 2 3 3 DC H2' H 1 2.182 0.001 . . . . . . B 12 DC H2' . 30473 1 140 . 2 2 3 3 DC H2'' H 1 2.481 0.001 . . . . . . B 12 DC H2'' . 30473 1 141 . 2 2 3 3 DC H3' H 1 4.870 0.001 . 1 . . . . B 12 DC H3' . 30473 1 142 . 2 2 3 3 DC H4' H 1 4.213 0.001 . 1 . . . . B 12 DC H4' . 30473 1 143 . 2 2 3 3 DC H5 H 1 5.674 0.011 . 1 . . . . B 12 DC H5 . 30473 1 144 . 2 2 3 3 DC H5' H 1 4.215 0.002 . . . . . . B 12 DC H5' . 30473 1 145 . 2 2 3 3 DC H5'' H 1 4.120 0.000 . . . . . . B 12 DC H5'' . 30473 1 146 . 2 2 3 3 DC H6 H 1 7.554 0.003 . 1 . . . . B 12 DC H6 . 30473 1 147 . 2 2 3 3 DC H41 H 1 8.515 0.002 . . . . . . B 12 DC H41 . 30473 1 148 . 2 2 3 3 DC H42 H 1 6.790 0.000 . . . . . . B 12 DC H42 . 30473 1 149 . 2 2 3 3 DC C1' C 13 86.753 0.000 . 1 . . . . B 12 DC C1' . 30473 1 150 . 2 2 3 3 DC C3' C 13 78.392 0.000 . 1 . . . . B 12 DC C3' . 30473 1 151 . 2 2 3 3 DC C5 C 13 99.173 0.000 . 1 . . . . B 12 DC C5 . 30473 1 152 . 2 2 3 3 DC C6 C 13 143.364 0.000 . 1 . . . . B 12 DC C6 . 30473 1 153 . 2 2 3 3 DC P P 31 -3.972 0.000 . 1 . . . . B 12 DC P . 30473 1 154 . 2 2 4 4 DC H1' H 1 5.583 0.001 . 1 . . . . B 13 DC H1' . 30473 1 155 . 2 2 4 4 DC H2' H 1 2.081 0.001 . . . . . . B 13 DC H2' . 30473 1 156 . 2 2 4 4 DC H2'' H 1 2.407 0.001 . . . . . . B 13 DC H2'' . 30473 1 157 . 2 2 4 4 DC H3' H 1 4.857 0.001 . 1 . . . . B 13 DC H3' . 30473 1 158 . 2 2 4 4 DC H4' H 1 4.132 0.001 . 1 . . . . B 13 DC H4' . 30473 1 159 . 2 2 4 4 DC H5 H 1 5.660 0.010 . 1 . . . . B 13 DC H5 . 30473 1 160 . 2 2 4 4 DC H5' H 1 4.127 0.004 . . . . . . B 13 DC H5' . 30473 1 161 . 2 2 4 4 DC H5'' H 1 4.118 0.000 . . . . . . B 13 DC H5'' . 30473 1 162 . 2 2 4 4 DC H6 H 1 7.462 0.002 . 1 . . . . B 13 DC H6 . 30473 1 163 . 2 2 4 4 DC H41 H 1 8.641 0.001 . . . . . . B 13 DC H41 . 30473 1 164 . 2 2 4 4 DC H42 H 1 6.859 0.001 . . . . . . B 13 DC H42 . 30473 1 165 . 2 2 4 4 DC C1' C 13 86.587 0.000 . 1 . . . . B 13 DC C1' . 30473 1 166 . 2 2 4 4 DC C3' C 13 77.309 0.000 . 1 . . . . B 13 DC C3' . 30473 1 167 . 2 2 4 4 DC C4' C 13 85.704 0.000 . 1 . . . . B 13 DC C4' . 30473 1 168 . 2 2 4 4 DC C5 C 13 99.042 0.000 . 1 . . . . B 13 DC C5 . 30473 1 169 . 2 2 4 4 DC C6 C 13 143.234 0.000 . 1 . . . . B 13 DC C6 . 30473 1 170 . 2 2 4 4 DC P P 31 -3.812 0.000 . 1 . . . . B 13 DC P . 30473 1 171 . 2 2 5 5 DG H1 H 1 13.029 0.000 . 1 . . . . B 14 DG H1 . 30473 1 172 . 2 2 5 5 DG H1' H 1 5.906 0.004 . 1 . . . . B 14 DG H1' . 30473 1 173 . 2 2 5 5 DG H2' H 1 2.695 0.003 . . . . . . B 14 DG H2' . 30473 1 174 . 2 2 5 5 DG H2'' H 1 2.725 0.004 . . . . . . B 14 DG H2'' . 30473 1 175 . 2 2 5 5 DG H3' H 1 4.996 0.002 . 1 . . . . B 14 DG H3' . 30473 1 176 . 2 2 5 5 DG H4' H 1 4.396 0.005 . 1 . . . . B 14 DG H4' . 30473 1 177 . 2 2 5 5 DG H5' H 1 4.136 0.002 . . . . . . B 14 DG H5' . 30473 1 178 . 2 2 5 5 DG H5'' H 1 4.068 0.002 . . . . . . B 14 DG H5'' . 30473 1 179 . 2 2 5 5 DG H8 H 1 7.922 0.000 . 1 . . . . B 14 DG H8 . 30473 1 180 . 2 2 5 5 DG C1' C 13 84.481 0.000 . 1 . . . . B 14 DG C1' . 30473 1 181 . 2 2 5 5 DG C3' C 13 79.698 0.000 . 1 . . . . B 14 DG C3' . 30473 1 182 . 2 2 5 5 DG C8 C 13 138.139 0.000 . 1 . . . . B 14 DG C8 . 30473 1 183 . 2 2 5 5 DG P P 31 -4.053 0.000 . 1 . . . . B 14 DG P . 30473 1 184 . 2 2 6 6 DC H1' H 1 5.943 0.002 . 1 . . . . B 15 DC H1' . 30473 1 185 . 2 2 6 6 DC H2' H 1 2.217 0.004 . . . . . . B 15 DC H2' . 30473 1 186 . 2 2 6 6 DC H2'' H 1 2.501 0.001 . . . . . . B 15 DC H2'' . 30473 1 187 . 2 2 6 6 DC H3' H 1 4.778 0.004 . 1 . . . . B 15 DC H3' . 30473 1 188 . 2 2 6 6 DC H4' H 1 4.226 0.002 . 1 . . . . B 15 DC H4' . 30473 1 189 . 2 2 6 6 DC H5 H 1 5.381 0.007 . 1 . . . . B 15 DC H5 . 30473 1 190 . 2 2 6 6 DC H5' H 1 4.259 0.005 . . . . . . B 15 DC H5' . 30473 1 191 . 2 2 6 6 DC H5'' H 1 4.174 0.000 . . . . . . B 15 DC H5'' . 30473 1 192 . 2 2 6 6 DC H6 H 1 7.399 0.002 . 1 . . . . B 15 DC H6 . 30473 1 193 . 2 2 6 6 DC H41 H 1 8.266 0.002 . . . . . . B 15 DC H41 . 30473 1 194 . 2 2 6 6 DC H42 H 1 6.414 0.001 . . . . . . B 15 DC H42 . 30473 1 195 . 2 2 6 6 DC C1' C 13 86.747 0.000 . 1 . . . . B 15 DC C1' . 30473 1 196 . 2 2 6 6 DC C3' C 13 76.627 0.000 . 1 . . . . B 15 DC C3' . 30473 1 197 . 2 2 6 6 DC C4' C 13 85.581 0.000 . 1 . . . . B 15 DC C4' . 30473 1 198 . 2 2 6 6 DC C5 C 13 98.353 0.000 . 1 . . . . B 15 DC C5 . 30473 1 199 . 2 2 6 6 DC C6 C 13 142.308 0.000 . 1 . . . . B 15 DC C6 . 30473 1 200 . 2 2 7 7 DC H1' H 1 5.904 0.003 . 1 . . . . B 16 DC H1' . 30473 1 201 . 2 2 7 7 DC H2' H 1 2.242 0.004 . . . . . . B 16 DC H2' . 30473 1 202 . 2 2 7 7 DC H2'' H 1 2.486 0.002 . . . . . . B 16 DC H2'' . 30473 1 203 . 2 2 7 7 DC H3' H 1 4.803 0.006 . 1 . . . . B 16 DC H3' . 30473 1 204 . 2 2 7 7 DC H4' H 1 4.154 0.000 . 1 . . . . B 16 DC H4' . 30473 1 205 . 2 2 7 7 DC H5 H 1 5.609 0.009 . 1 . . . . B 16 DC H5 . 30473 1 206 . 2 2 7 7 DC H5' H 1 4.161 0.003 . . . . . . B 16 DC H5' . 30473 1 207 . 2 2 7 7 DC H5'' H 1 4.108 0.001 . . . . . . B 16 DC H5'' . 30473 1 208 . 2 2 7 7 DC H6 H 1 7.570 0.003 . 1 . . . . B 16 DC H6 . 30473 1 209 . 2 2 7 7 DC H41 H 1 8.497 0.004 . . . . . . B 16 DC H41 . 30473 1 210 . 2 2 7 7 DC H42 H 1 6.780 0.004 . . . . . . B 16 DC H42 . 30473 1 211 . 2 2 7 7 DC C1' C 13 86.947 0.000 . 1 . . . . B 16 DC C1' . 30473 1 212 . 2 2 7 7 DC C3' C 13 76.019 0.000 . 1 . . . . B 16 DC C3' . 30473 1 213 . 2 2 7 7 DC C4' C 13 85.502 0.000 . 1 . . . . B 16 DC C4' . 30473 1 214 . 2 2 7 7 DC C5 C 13 98.692 0.000 . 1 . . . . B 16 DC C5 . 30473 1 215 . 2 2 7 7 DC C6 C 13 143.025 0.000 . 1 . . . . B 16 DC C6 . 30473 1 216 . 2 2 7 7 DC P P 31 -4.043 0.000 . 1 . . . . B 16 DC P . 30473 1 217 . 2 2 8 8 DC H1' H 1 6.060 0.004 . 1 . . . . B 17 DC H1' . 30473 1 218 . 2 2 8 8 DC H2' H 1 2.255 0.003 . . . . . . B 17 DC H2' . 30473 1 219 . 2 2 8 8 DC H2'' H 1 2.493 0.003 . . . . . . B 17 DC H2'' . 30473 1 220 . 2 2 8 8 DC H3' H 1 4.834 0.002 . 1 . . . . B 17 DC H3' . 30473 1 221 . 2 2 8 8 DC H4' H 1 4.166 0.001 . 1 . . . . B 17 DC H4' . 30473 1 222 . 2 2 8 8 DC H5 H 1 5.752 0.011 . 1 . . . . B 17 DC H5 . 30473 1 223 . 2 2 8 8 DC H5' H 1 4.167 0.001 . . . . . . B 17 DC H5' . 30473 1 224 . 2 2 8 8 DC H5'' H 1 4.094 0.006 . . . . . . B 17 DC H5'' . 30473 1 225 . 2 2 8 8 DC H6 H 1 7.645 0.002 . 1 . . . . B 17 DC H6 . 30473 1 226 . 2 2 8 8 DC H41 H 1 8.575 0.001 . . . . . . B 17 DC H41 . 30473 1 227 . 2 2 8 8 DC H42 H 1 6.995 0.001 . . . . . . B 17 DC H42 . 30473 1 228 . 2 2 8 8 DC C1' C 13 86.986 0.000 . 1 . . . . B 17 DC C1' . 30473 1 229 . 2 2 8 8 DC C3' C 13 75.798 0.000 . 1 . . . . B 17 DC C3' . 30473 1 230 . 2 2 8 8 DC C5 C 13 86.986 0.000 . 1 . . . . B 17 DC C5 . 30473 1 231 . 2 2 8 8 DC C6 C 13 143.354 0.000 . 1 . . . . B 17 DC C6 . 30473 1 232 . 2 2 8 8 DC P P 31 -4.001 0.000 . 1 . . . . B 17 DC P . 30473 1 233 . 2 2 9 9 DC H1' H 1 6.285 0.001 . 1 . . . . B 18 DC H1' . 30473 1 234 . 2 2 9 9 DC H3' H 1 4.572 0.001 . 1 . . . . B 18 DC H3' . 30473 1 235 . 2 2 9 9 DC H4' H 1 4.066 0.001 . 1 . . . . B 18 DC H4' . 30473 1 236 . 2 2 9 9 DC H5 H 1 5.897 0.009 . 1 . . . . B 18 DC H5 . 30473 1 237 . 2 2 9 9 DC H5' H 1 4.155 0.002 . . . . . . B 18 DC H5' . 30473 1 238 . 2 2 9 9 DC H5'' H 1 4.069 0.005 . . . . . . B 18 DC H5'' . 30473 1 239 . 2 2 9 9 DC H6 H 1 7.755 0.004 . 1 . . . . B 18 DC H6 . 30473 1 240 . 2 2 9 9 DC C1' C 13 87.279 0.000 . 1 . . . . B 18 DC C1' . 30473 1 241 . 2 2 9 9 DC C3' C 13 72.083 0.000 . 1 . . . . B 18 DC C3' . 30473 1 242 . 2 2 9 9 DC C4' C 13 87.074 0.000 . 1 . . . . B 18 DC C4' . 30473 1 243 . 2 2 9 9 DC C5 C 13 99.096 0.000 . 1 . . . . B 18 DC C5 . 30473 1 244 . 2 2 9 9 DC C6 C 13 144.180 0.000 . 1 . . . . B 18 DC C6 . 30473 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30473 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D DQF-COSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details ; COSY peaks, combined XEASY peak list. Tolbert BS, et al. 2010 J Biomol NMR 47 205-219. AMBER TUTORIAL A4: NMR Refinement of DNA and RNA Duplexes. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # Number of peaks 605 # FORMAT cyana3D # INAME 1 H # INAME 2 h # CYANAFORMAT Hh 1 3.988 5.704 1 U 1.59e+06 0 e 0 0 0 0 2 4.122 4.862 1 U 2.62e+07 0 e 0 0 0 0 3 4.224 4.874 1 U 1.46e+07 0 e 0 0 0 0 4 5.653 2.079 1 U 7.31e+05 0 e 0 0 0 0 5 5.664 2.484 1 U 4.61e+06 0 e 0 0 0 0 6 3.989 4.968 1 U 4.45e+06 0 e 0 0 0 0 7 6.012 7.553 1 U 2.87e+06 0 e 0 0 0 0 8 5.916 7.400 1 U 3.78e+06 0 e 0 0 0 0 9 4.142 6.015 1 U 5.04e+06 0 e 0 0 0 0 10 4.774 4.263 1 U 3.24e+06 0 e 0 0 0 0 11 4.872 2.492 1 U 1e+07 0 e 0 0 0 0 12 4.813 2.478 1 U 1.46e+07 0 e 0 0 0 0 13 5.021 2.639 1 U 8.71e+06 0 e 0 0 0 0 14 4.991 2.697 1 U 2.73e+07 0 e 0 0 0 0 15 4.983 2.561 1 U 2.32e+07 0 e 0 0 0 0 16 4.814 5.745 1 U 9.55e+05 0 e 0 0 0 0 17 3.988 5.504 1 U 3.61e+05 0 e 0 0 0 0 18 4.066 5.672 1 U 2.5e+06 0 e 0 0 0 0 19 7.830 5.670 1 U 2.51e+06 0 e 0 0 0 0 20 4.214 4.996 1 U 1.22e+07 0 e 0 0 0 0 21 2.491 7.560 1 U 1.47e+07 0 e 0 0 0 0 22 2.189 6.005 1 U 5.67e+06 0 e 0 0 0 0 23 2.190 4.217 1 U 1.74e+06 0 e 0 0 0 0 24 2.316 3.989 1 U 2.7e+06 0 e 0 0 0 0 25 2.494 4.221 1 U 5.71e+06 0 e 0 0 0 0 26 2.782 4.171 1 U 1.56e+06 0 e 0 0 0 0 27 2.492 5.667 1 U 9.02e+06 0 e 0 0 0 0 28 2.697 7.825 1 U 2.49e+07 0 e 0 0 0 0 29 2.639 7.834 1 U 2.35e+07 0 e 0 0 0 0 30 2.639 4.168 1 U 1.69e+06 0 e 0 0 0 0 31 2.703 4.077 1 U 1.84e+06 0 e 0 0 0 0 32 7.563 2.492 1 U 1.12e+07 0 e 0 0 0 0 33 7.666 2.260 1 U 2.19e+07 0 e 0 0 0 0 34 7.825 2.698 1 U 2.08e+07 0 e 0 0 0 0 35 7.837 2.638 1 U 1.68e+07 0 e 0 0 0 0 36 7.706 2.563 1 U 3.06e+07 0 e 0 0 0 0 37 2.703 4.371 1 U 3.54e+06 0 e 0 0 0 0 38 4.165 5.671 1 U 4.27e+06 0 e 0 0 0 0 39 5.670 4.166 1 U 4.89e+06 0 e 0 0 0 0 40 7.705 4.980 1 U 4.26e+06 0 e 0 0 0 0 41 7.730 5.018 1 U 2.69e+06 0 e 0 0 0 0 42 4.204 7.728 1 U 2.15e+06 0 e 0 0 0 0 43 2.563 4.982 1 U 2.7e+07 0 e 0 0 0 0 44 4.143 7.750 1 U 1.77e+06 0 e 0 0 0 0 45 5.009 7.728 1 U 3.64e+06 0 e 0 0 0 0 46 2.704 4.997 1 U 3.35e+07 0 e 0 0 0 0 47 2.784 5.011 1 U 1.65e+07 0 e 0 0 0 0 48 5.716 4.694 1 U 1.11e+06 0 e 0 0 0 0 49 5.009 4.422 1 U 1.52e+07 0 e 0 0 0 0 50 2.493 4.875 1 U 1.42e+07 0 e 0 0 0 0 51 4.999 4.398 1 U 9.46e+06 0 e 0 0 0 0 52 5.001 4.268 1 U 2.63e+06 0 e 0 0 0 0 53 5.007 4.210 1 U 1.33e+07 0 e 0 0 0 0 54 4.986 4.371 1 U 1.91e+07 0 e 0 0 0 0 55 4.990 4.143 1 U 2.2e+07 0 e 0 0 0 0 56 4.990 4.075 1 U 7.95e+06 0 e 0 0 0 0 57 4.972 4.089 1 U 1.14e+07 0 e 0 0 0 0 58 4.968 3.991 1 U 3.82e+06 0 e 0 0 0 0 59 5.705 3.989 1 U 1.31e+06 0 e 0 0 0 0 60 6.017 2.489 1 U 1.1e+07 0 e 0 0 0 0 61 4.638 4.124 1 U 6.65e+06 0 e 0 0 0 0 62 4.090 6.016 1 U 3.23e+06 0 e 0 0 0 0 63 5.915 7.571 1 U 2.23e+06 0 e 0 0 0 0 64 2.475 7.857 1 U 1.47e+07 0 e 0 0 9 0 65 7.732 5.667 1 U 2.11e+06 0 e 0 0 15 0 66 2.476 7.820 1 U 1.76e+06 0 e 0 0 20 0 67 7.726 5.792 1 U 3.81e+06 0 e 0 0 26 0 68 7.703 5.638 1 U 3.1e+06 0 e 0 0 80 0 69 2.701 7.710 1 U 1.24e+07 0 e 0 0 87 0 70 2.717 7.694 1 U 8.72e+06 0 e 0 0 98 0 71 2.565 7.694 1 U 2.86e+07 0 e 0 0 98 0 72 2.234 7.571 1 U 2.32e+07 0 e 0 0 220 0 73 2.251 7.644 1 U 2.38e+07 0 e 0 0 236 0 74 5.674 2.637 1 U 7.05e+06 0 e 0 5 6 0 75 5.672 4.812 1 U 2.16e+06 0 e 0 5 8 0 76 5.674 7.857 1 U 2.31e+06 0 e 0 5 9 0 77 5.674 4.068 1 U 2.61e+06 0 e 0 5 19 0 78 5.672 7.822 1 U 2.99e+06 0 e 0 5 20 0 79 2.638 5.673 1 U 1e+07 0 e 0 6 5 0 80 2.637 4.811 1 U 7.63e+06 0 e 0 6 8 0 81 2.630 3.666 1 U 7.98e+05 0 e 0 6 10 0 82 2.476 4.811 1 U 2.08e+07 0 e 0 7 8 0 83 2.475 3.668 1 U 2.74e+06 0 e 0 7 10 0 84 4.811 5.672 1 U 8.92e+05 0 e 0 8 5 0 85 4.813 2.635 1 U 5.93e+06 0 e 0 8 6 0 86 4.812 7.857 1 U 1.08e+06 0 e 0 8 9 0 87 4.812 3.669 1 U 8.89e+06 0 e 0 8 10 0 88 4.815 7.820 1 U 1.25e+06 0 e 0 8 20 0 89 7.857 2.476 1 U 7.09e+06 0 e 0 9 0 0 90 7.856 3.669 1 U 1.04e+06 0 e 0 9 10 0 91 3.668 5.672 1 U 7.88e+05 0 e 0 10 5 0 92 3.669 4.812 1 U 1.21e+07 0 e 0 10 8 0 93 3.669 7.857 1 U 2.19e+06 0 e 0 10 9 0 94 5.666 2.786 1 U 9.33e+06 0 e 0 15 16 0 95 5.664 4.999 1 U 2.25e+06 0 e 0 15 17 0 96 5.672 4.208 1 U 1.03e+06 0 e 0 15 32 0 97 5.667 7.732 1 U 2.69e+06 0 e 0 15 33 0 98 2.788 5.667 1 U 1.39e+07 0 e 0 16 15 0 99 2.787 7.821 1 U 7.07e+06 0 e 0 16 20 0 100 2.775 4.207 1 U 2.54e+06 0 e 0 16 32 0 101 5.005 5.667 1 U 1.12e+06 0 e 0 17 15 0 102 5.000 7.821 1 U 1.93e+06 0 e 0 17 20 0 103 4.376 5.667 1 U 3.49e+06 0 e 0 18 15 0 104 4.377 7.821 1 U 4.6e+05 0 e 0 18 20 0 105 4.072 7.824 1 U 8.15e+05 0 e 0 19 20 0 106 7.823 2.786 1 U 5.46e+06 0 e 0 20 16 0 107 7.822 5.003 1 U 2.21e+06 0 e 0 20 17 0 108 7.822 4.375 1 U 6.23e+05 0 e 0 20 18 0 109 5.797 2.784 1 U 9.7e+06 0 e 0 26 27 0 110 5.793 2.640 1 U 4.45e+06 0 e 0 26 28 0 111 5.793 5.020 1 U 1.46e+06 0 e 0 26 29 0 112 5.794 4.421 1 U 4.87e+06 0 e 0 26 30 0 113 5.793 7.727 1 U 4.01e+06 0 e 0 26 43 0 114 5.792 4.207 1 U 2.67e+06 0 e 0 26 45 0 115 2.786 5.792 1 U 1.17e+07 0 e 0 27 26 0 116 2.779 4.421 1 U 2.14e+06 0 e 0 27 30 0 117 2.785 7.730 1 U 1.63e+07 0 e 0 27 33 0 118 2.641 5.792 1 U 5.98e+06 0 e 0 28 26 0 119 2.640 5.020 1 U 1.46e+07 0 e 0 28 29 0 120 2.643 4.421 1 U 1.77e+06 0 e 0 28 30 0 121 2.640 7.731 1 U 2.01e+07 0 e 0 28 33 0 122 2.637 4.207 1 U 1.51e+06 0 e 0 28 45 0 123 5.018 5.792 1 U 1.3e+06 0 e 0 29 26 0 124 5.010 2.785 1 U 1.36e+07 0 e 0 29 27 0 125 4.420 5.793 1 U 4.16e+06 0 e 0 30 26 0 126 4.419 5.017 1 U 1.14e+07 0 e 0 30 29 0 127 4.421 7.727 1 U 9.79e+05 0 e 0 30 33 0 128 4.200 5.018 1 U 1.29e+07 0 e 0 32 29 0 129 7.728 2.786 1 U 1.11e+07 0 e 0 33 27 0 130 7.729 2.639 1 U 1.39e+07 0 e 0 33 28 0 131 7.731 4.209 1 U 1.99e+06 0 e 0 33 32 0 132 5.915 2.737 1 U 1.69e+07 0 e 0 38 39 0 133 5.922 2.555 1 U 4.12e+06 0 e 0 38 40 0 134 5.930 4.996 1 U 2.36e+06 0 e 0 38 41 0 135 5.922 4.426 1 U 4.21e+06 0 e 0 38 42 0 136 5.928 7.725 1 U 1.72e+06 0 e 0 38 43 0 137 5.920 5.272 1 U 7.74e+05 0 e 0 38 57 0 138 5.921 7.247 1 U 1.92e+06 0 e 0 38 60 0 139 2.740 5.917 1 U 1.85e+07 0 e 0 39 38 0 140 2.754 4.426 1 U 1.54e+06 0 e 0 39 42 0 141 2.744 5.272 1 U 2.88e+06 0 e 0 39 57 0 142 2.746 4.218 1 U 3.23e+06 0 e 0 39 59 0 143 2.744 7.247 1 U 8.47e+06 0 e 0 39 60 0 144 2.786 4.374 1 U 1.33e+06 0 e 0 16 18 0 145 2.552 5.922 1 U 5.27e+06 0 e 0 40 38 0 146 2.555 4.426 1 U 1.15e+06 0 e 0 40 42 0 147 2.553 5.273 1 U 1.94e+06 0 e 0 40 57 0 148 2.554 7.247 1 U 2.72e+06 0 e 0 40 60 0 149 4.995 5.924 1 U 2.24e+06 0 e 0 41 38 0 150 4.994 7.247 1 U 5.92e+05 0 e 0 41 60 0 151 4.419 5.919 1 U 4.65e+06 0 e 0 42 38 0 152 7.721 5.915 1 U 3.3e+06 0 e 0 43 38 0 153 7.726 4.423 1 U 1.15e+06 0 e 0 43 42 0 154 7.724 5.272 1 U 1.34e+06 0 e 0 43 57 0 155 7.724 7.246 1 U 6.28e+05 0 e 0 43 60 0 156 4.204 5.792 1 U 3.66e+06 0 e 0 45 26 0 157 5.704 2.315 1 U 8.26e+06 0 e 0 50 51 0 158 5.704 1.880 1 U 2.86e+06 0 e 0 50 52 0 159 5.704 4.846 1 U 1.57e+06 0 e 0 50 53 0 160 5.703 4.148 1 U 6.91e+06 0 e 0 50 54 0 161 5.703 7.247 1 U 1.76e+06 0 e 0 50 60 0 162 5.705 7.832 1 U 1.91e+06 0 e 0 50 74 0 163 2.315 5.704 1 U 1.4e+07 0 e 0 51 50 0 164 2.314 4.847 1 U 6.15e+06 0 e 0 51 53 0 165 2.315 7.247 1 U 4.23e+06 0 e 0 51 60 0 166 2.311 4.148 1 U 2.95e+06 0 e 0 51 73 0 167 2.315 7.834 1 U 5.41e+06 0 e 0 51 74 0 168 1.879 5.704 1 U 4.29e+06 0 e 0 52 50 0 169 1.879 4.846 1 U 1.47e+07 0 e 0 52 53 0 170 1.878 5.273 1 U 1.24e+06 0 e 0 52 57 0 171 1.878 7.247 1 U 2.03e+07 0 e 0 52 60 0 172 1.878 4.146 1 U 1.51e+06 0 e 0 52 73 0 173 1.879 7.835 1 U 4.39e+06 0 e 0 52 74 0 174 4.847 5.703 1 U 9.32e+05 0 e 0 53 50 0 175 4.847 2.316 1 U 4.35e+06 0 e 0 53 51 0 176 4.848 1.879 1 U 8.51e+06 0 e 0 53 52 0 177 4.847 7.247 1 U 2.53e+06 0 e 0 53 60 0 178 4.845 7.835 1 U 1.26e+06 0 e 0 53 74 0 179 4.145 5.705 1 U 5.26e+06 0 e 0 54 50 0 180 5.274 5.924 1 U 5.44e+05 0 e 0 57 38 0 181 5.275 2.748 1 U 1.71e+06 0 e 0 57 39 0 182 5.271 2.554 1 U 8.78e+05 0 e 0 57 40 0 183 5.272 7.723 1 U 1.16e+06 0 e 0 57 43 0 184 5.273 7.247 1 U 1.54e+07 0 e 0 57 60 0 185 4.138 7.247 1 U 1.67e+06 0 e 0 58 60 0 186 4.222 5.706 1 U 5.65e+05 0 e 0 59 50 0 187 4.218 7.247 1 U 1.09e+06 0 e 0 59 60 0 188 7.249 5.922 1 U 2.26e+06 0 e 0 60 38 0 189 7.248 2.745 1 U 6.4e+06 0 e 0 60 39 0 190 7.247 2.554 1 U 2.08e+06 0 e 0 60 40 0 191 7.249 4.996 1 U 1.05e+06 0 e 0 60 41 0 192 7.247 7.723 1 U 3.78e+05 0 e 0 60 43 0 193 7.249 5.704 1 U 1.84e+06 0 e 0 60 50 0 194 7.249 2.315 1 U 2.92e+06 0 e 0 60 51 0 195 7.249 1.879 1 U 1.22e+07 0 e 0 60 52 0 196 7.249 4.846 1 U 2.62e+06 0 e 0 60 53 0 197 7.248 5.272 1 U 2.23e+07 0 e 0 60 57 0 198 7.250 4.144 1 U 1.36e+06 0 e 0 60 58 0 199 7.251 4.214 1 U 1e+06 0 e 0 60 59 0 200 7.250 7.835 1 U 3.03e+05 0 e 0 60 74 0 201 5.504 2.703 1 U 1e+07 0 e 0 67 68 0 202 5.504 2.640 1 U 3.78e+06 0 e 0 67 69 0 203 5.503 4.969 1 U 1.82e+06 0 e 0 67 70 0 204 5.504 4.311 1 U 4e+06 0 e 0 67 71 0 205 5.504 4.151 1 U 1.07e+06 0 e 0 67 73 0 206 5.504 7.834 1 U 1.65e+06 0 e 0 67 74 0 207 5.504 4.101 1 U 2.17e+06 0 e 0 67 85 0 208 5.504 7.712 1 U 2.65e+06 0 e 0 67 87 0 209 2.704 5.505 1 U 1.49e+07 0 e 0 68 67 0 210 2.704 4.311 1 U 1.99e+06 0 e 0 68 71 0 211 2.707 4.142 1 U 4.21e+06 0 e 0 68 86 0 212 2.642 5.505 1 U 3.41e+06 0 e 0 69 67 0 213 2.641 4.968 1 U 1.49e+07 0 e 0 69 70 0 214 2.641 4.311 1 U 1.86e+06 0 e 0 69 71 0 215 2.641 4.078 1 U 1.34e+06 0 e 0 69 72 0 216 4.970 5.505 1 U 1.6e+06 0 e 0 70 67 0 217 4.970 2.640 1 U 1.05e+07 0 e 0 70 69 0 218 4.968 4.311 1 U 1.19e+07 0 e 0 70 71 0 219 4.972 7.834 1 U 2.19e+06 0 e 0 70 74 0 220 4.313 5.505 1 U 2.96e+06 0 e 0 71 67 0 221 4.312 4.968 1 U 8.82e+06 0 e 0 71 70 0 222 4.312 7.834 1 U 2.75e+05 0 e 0 71 74 0 223 4.088 5.708 1 U 4.29e+05 0 e 0 72 50 0 224 4.085 7.831 1 U 1.05e+06 0 e 0 72 74 0 225 4.144 7.831 1 U 1.66e+06 0 e 0 73 74 0 226 7.837 5.711 1 U 1.32e+06 0 e 0 74 50 0 227 7.836 2.318 1 U 2.8e+06 0 e 0 74 51 0 228 7.836 1.879 1 U 2.1e+06 0 e 0 74 52 0 229 7.835 4.846 1 U 1.57e+06 0 e 0 74 53 0 230 7.836 7.248 1 U 5.11e+05 0 e 0 74 60 0 231 7.836 5.505 1 U 1.21e+06 0 e 0 74 67 0 232 7.837 4.968 1 U 2.37e+06 0 e 0 74 70 0 233 7.837 4.311 1 U 5.68e+05 0 e 0 74 71 0 234 7.829 4.076 1 U 9.31e+05 0 e 0 74 72 0 235 7.834 4.149 1 U 1.57e+06 0 e 0 74 73 0 236 5.643 2.696 1 U 9.8e+06 0 e 0 80 81 0 237 5.638 2.566 1 U 5e+06 0 e 0 80 82 0 238 5.639 4.984 1 U 1.94e+06 0 e 0 80 83 0 239 5.643 4.366 1 U 5.21e+06 0 e 0 80 84 0 240 5.637 7.708 1 U 1.94e+06 0 e 0 80 87 0 241 5.646 4.152 1 U 3.15e+06 0 e 0 80 97 0 242 5.638 7.697 1 U 2.32e+06 0 e 0 80 98 0 243 2.698 5.638 1 U 1.05e+07 0 e 0 81 80 0 244 2.565 5.638 1 U 8.34e+06 0 e 0 82 80 0 245 2.565 4.370 1 U 2.69e+06 0 e 0 82 84 0 246 2.562 7.714 1 U 2.93e+07 0 e 0 82 87 0 247 2.571 4.150 1 U 4.59e+06 0 e 0 82 97 0 248 4.983 5.638 1 U 1.51e+06 0 e 0 83 80 0 249 4.987 7.717 1 U 3.46e+06 0 e 0 83 87 0 250 4.365 5.638 1 U 3.55e+06 0 e 0 84 80 0 251 4.363 7.709 1 U 6.2e+05 0 e 0 84 87 0 252 4.102 5.505 1 U 2.21e+06 0 e 0 85 67 0 253 4.094 4.974 1 U 1.06e+07 0 e 0 85 83 0 254 4.111 7.712 1 U 8.78e+05 0 e 0 85 87 0 255 7.711 5.505 1 U 2.08e+06 0 e 0 87 67 0 256 7.709 2.700 1 U 1.13e+07 0 e 0 87 68 0 257 7.706 4.369 1 U 1.09e+06 0 e 0 87 84 0 258 5.758 2.728 1 U 1.11e+07 0 e 0 92 93 0 259 5.758 2.565 1 U 5.32e+06 0 e 0 92 94 0 260 5.758 4.969 1 U 1.79e+06 0 e 0 92 95 0 261 5.758 4.375 1 U 5.24e+06 0 e 0 92 96 0 262 5.760 7.693 1 U 2.27e+06 0 e 0 92 98 0 263 5.759 4.129 1 U 1.49e+06 0 e 0 92 108 0 264 5.761 4.234 1 U 2.44e+06 0 e 0 92 109 0 265 5.758 7.748 1 U 2.53e+06 0 e 0 92 110 0 266 2.728 5.758 1 U 1.6e+07 0 e 0 93 92 0 267 2.729 7.748 1 U 6.63e+06 0 e 0 93 110 0 268 2.565 5.758 1 U 6.86e+06 0 e 0 94 92 0 269 2.567 4.231 1 U 2.06e+06 0 e 0 94 109 0 270 2.569 7.746 1 U 2.58e+06 0 e 0 94 110 0 271 4.970 5.759 1 U 1.58e+06 0 e 0 95 92 0 272 4.972 7.696 1 U 3.25e+06 0 e 0 95 98 0 273 4.968 7.748 1 U 8.35e+05 0 e 0 95 110 0 274 4.377 5.759 1 U 4.22e+06 0 e 0 96 92 0 275 4.146 5.639 1 U 3.17e+06 0 e 0 97 80 0 276 4.154 4.976 1 U 1.67e+07 0 e 0 97 95 0 277 4.149 7.694 1 U 1.78e+06 0 e 0 97 98 0 278 7.704 4.151 1 U 1.71e+06 0 e 0 98 97 0 279 6.154 2.476 1 U 4.09e+06 0 e 0 103 104 0 280 6.154 2.358 1 U 1.08e+07 0 e 0 103 105 0 281 6.154 4.638 1 U 8.82e+05 0 e 0 103 106 0 282 6.154 4.211 1 U 5.09e+06 0 e 0 103 107 0 283 6.154 4.127 1 U 7.63e+05 0 e 0 103 108 0 284 6.153 7.748 1 U 2.02e+06 0 e 0 103 110 0 285 2.480 6.154 1 U 7.66e+06 0 e 0 104 103 0 286 2.482 4.638 1 U 1.39e+07 0 e 0 104 106 0 287 2.483 7.749 1 U 2.09e+07 0 e 0 104 110 0 288 2.357 6.155 1 U 1.61e+07 0 e 0 105 103 0 289 2.358 4.638 1 U 3.43e+06 0 e 0 105 106 0 290 2.357 4.212 1 U 2.83e+06 0 e 0 105 107 0 291 2.361 7.748 1 U 3.14e+06 0 e 0 105 110 0 292 4.638 6.154 1 U 1.23e+06 0 e 0 106 103 0 293 4.638 2.481 1 U 9.13e+06 0 e 0 106 104 0 294 4.638 2.359 1 U 4.17e+06 0 e 0 106 105 0 295 4.638 4.212 1 U 8.45e+06 0 e 0 106 107 0 296 4.638 7.748 1 U 2.83e+06 0 e 0 106 110 0 297 4.213 6.155 1 U 4.54e+06 0 e 0 107 103 0 298 4.135 5.758 1 U 1.1e+06 0 e 0 108 92 0 299 4.123 6.154 1 U 6.99e+05 0 e 0 108 103 0 300 4.235 5.759 1 U 3e+06 0 e 0 109 92 0 301 4.227 7.748 1 U 1.16e+06 0 e 0 109 110 0 302 7.740 4.161 1 U 1.37e+06 0 e 0 110 0 0 303 7.749 5.758 1 U 1.95e+06 0 e 0 110 92 0 304 7.736 2.734 1 U 5.5e+06 0 e 0 110 93 0 305 7.747 6.155 1 U 1.94e+06 0 e 0 110 103 0 306 7.748 2.482 1 U 1.2e+07 0 e 0 110 104 0 307 7.747 2.362 1 U 2.58e+06 0 e 0 110 105 0 308 7.746 4.638 1 U 2.48e+06 0 e 0 110 106 0 309 6.016 2.577 1 U 8.82e+06 0 e 0 116 117 0 310 6.017 2.192 1 U 4.73e+06 0 e 0 116 118 0 311 6.013 4.693 1 U 5.57e+05 0 e 0 116 119 0 312 6.016 4.146 1 U 5.1e+06 0 e 0 116 120 0 313 2.578 6.016 1 U 1.29e+07 0 e 0 117 116 0 314 2.569 4.693 1 U 4.14e+05 0 e 0 117 119 0 315 2.575 7.837 1 U 2.64e+06 0 e 0 117 125 0 316 2.577 5.713 1 U 2.18e+06 0 e 0 117 138 0 317 2.578 4.085 1 U 3.35e+06 0 e 0 117 139 0 318 2.194 4.694 1 U 1.57e+07 0 e 0 118 119 0 319 2.194 7.837 1 U 1.49e+07 0 e 0 118 125 0 320 2.194 5.714 1 U 3.72e+06 0 e 0 118 138 0 321 2.201 4.093 1 U 1.56e+06 0 e 0 118 139 0 322 2.194 7.676 1 U 6.02e+06 0 e 0 118 141 0 323 4.694 6.014 1 U 9.61e+05 0 e 0 119 116 0 324 4.694 2.572 1 U 1.69e+06 0 e 0 119 117 0 325 4.694 2.194 1 U 8.98e+06 0 e 0 119 118 0 326 4.693 4.150 1 U 7.66e+06 0 e 0 119 120 0 327 4.694 3.787 1 U 3.87e+06 0 e 0 119 123 0 328 4.693 3.832 1 U 2.65e+06 0 e 0 119 124 0 329 4.694 7.837 1 U 2.97e+06 0 e 0 119 125 0 330 4.694 5.714 1 U 1.89e+06 0 e 0 119 138 0 331 4.694 7.677 1 U 2.04e+06 0 e 0 119 141 0 332 6.004 7.837 1 U 1.97e+07 0 e 0 122 125 0 333 6.014 5.714 1 U 9.44e+05 0 e 0 122 138 0 334 3.790 6.009 1 U 4.48e+05 0 e 0 123 116 0 335 3.789 4.694 1 U 5.18e+06 0 e 0 123 119 0 336 3.790 7.837 1 U 2.63e+06 0 e 0 123 125 0 337 3.833 6.008 1 U 6.62e+05 0 e 0 124 116 0 338 3.824 7.837 1 U 2.11e+06 0 e 0 124 125 0 339 7.838 2.195 1 U 6.33e+06 0 e 0 125 118 0 340 7.838 4.693 1 U 2.14e+06 0 e 0 125 119 0 341 7.840 3.788 1 U 1.53e+06 0 e 0 125 123 0 342 7.837 3.833 1 U 1.3e+06 0 e 0 125 124 0 343 6.041 2.502 1 U 1.35e+07 0 e 0 131 132 0 344 6.041 2.264 1 U 5.57e+06 0 e 0 131 133 0 345 6.027 4.879 1 U 1.94e+06 0 e 0 131 134 0 346 6.031 4.234 1 U 6.79e+06 0 e 0 131 135 0 347 6.028 7.677 1 U 2.99e+06 0 e 0 131 141 0 348 6.030 5.667 1 U 1.12e+06 0 e 0 131 154 0 349 2.506 6.033 1 U 1.71e+07 0 e 0 132 131 0 350 2.505 7.676 1 U 6.94e+06 0 e 0 132 141 0 351 2.262 6.034 1 U 4.82e+06 0 e 0 133 131 0 352 2.262 4.881 1 U 1.72e+07 0 e 0 133 134 0 353 2.258 4.234 1 U 1.88e+06 0 e 0 133 135 0 354 2.263 7.677 1 U 2.66e+07 0 e 0 133 141 0 355 2.263 5.668 1 U 2.58e+06 0 e 0 133 154 0 356 4.879 6.031 1 U 1.52e+06 0 e 0 134 131 0 357 4.879 2.263 1 U 1e+07 0 e 0 134 133 0 358 4.880 7.676 1 U 2.73e+06 0 e 0 134 141 0 359 4.234 6.032 1 U 5.57e+06 0 e 0 135 131 0 360 5.712 2.196 1 U 1.6e+06 0 e 0 138 118 0 361 5.714 6.004 1 U 2.21e+05 0 e 0 138 122 0 362 5.715 7.677 1 U 2.49e+07 0 e 0 138 141 0 363 4.087 7.676 1 U 2.07e+06 0 e 0 139 141 0 364 4.234 7.678 1 U 6.86e+05 0 e 0 140 141 0 365 7.677 2.194 1 U 2.94e+06 0 e 0 141 118 0 366 7.678 4.694 1 U 1.36e+06 0 e 0 141 119 0 367 7.678 6.029 1 U 2.63e+06 0 e 0 141 131 0 368 7.666 2.498 1 U 5.98e+06 0 e 0 141 132 0 369 7.679 4.881 1 U 3.06e+06 0 e 0 141 134 0 370 7.678 5.714 1 U 3.07e+07 0 e 0 141 138 0 371 7.666 4.087 1 U 2e+06 0 e 0 141 139 0 372 7.680 4.234 1 U 9.72e+05 0 e 0 141 140 0 373 6.000 2.480 1 U 1.05e+07 0 e 0 147 148 0 374 5.998 2.184 1 U 4.42e+06 0 e 0 147 149 0 375 6.000 4.872 1 U 1.27e+06 0 e 0 147 150 0 376 6.000 4.212 1 U 6.68e+06 0 e 0 147 151 0 377 6.000 7.460 1 U 1.82e+06 0 e 0 147 174 0 378 2.481 6.001 1 U 1.46e+07 0 e 0 148 147 0 379 2.482 7.461 1 U 7.36e+06 0 e 0 148 174 0 380 2.182 4.870 1 U 1.66e+07 0 e 0 149 150 0 381 2.181 7.553 1 U 2.73e+07 0 e 0 149 157 0 382 2.181 5.659 1 U 2.78e+06 0 e 0 149 171 0 383 2.181 7.461 1 U 2.87e+06 0 e 0 149 174 0 384 4.869 6.001 1 U 1.58e+06 0 e 0 150 147 0 385 4.870 2.182 1 U 1.11e+07 0 e 0 150 149 0 386 4.871 7.553 1 U 3.88e+06 0 e 0 150 157 0 387 4.214 6.002 1 U 5.15e+06 0 e 0 151 147 0 388 5.665 6.033 1 U 8.95e+05 0 e 0 154 131 0 389 5.668 2.264 1 U 1.16e+06 0 e 0 154 133 0 390 5.667 7.553 1 U 2.04e+07 0 e 0 154 157 0 391 4.120 7.555 1 U 2.47e+06 0 e 0 155 157 0 392 4.217 7.554 1 U 1.03e+06 0 e 0 156 157 0 393 7.553 6.032 1 U 1.83e+06 0 e 0 157 131 0 394 7.552 5.999 1 U 2.78e+06 0 e 0 157 147 0 395 7.553 2.182 1 U 1.84e+07 0 e 0 157 149 0 396 7.553 4.871 1 U 3.72e+06 0 e 0 157 150 0 397 7.552 5.668 1 U 3.07e+07 0 e 0 157 154 0 398 7.557 4.120 1 U 1.98e+06 0 e 0 157 155 0 399 7.552 4.213 1 U 1.34e+06 0 e 0 157 156 0 400 5.583 2.407 1 U 9.37e+06 0 e 0 164 165 0 401 5.583 2.082 1 U 3.54e+06 0 e 0 164 166 0 402 5.584 4.857 1 U 1.64e+06 0 e 0 164 167 0 403 5.583 4.133 1 U 7.07e+06 0 e 0 164 168 0 404 5.579 7.461 1 U 1.84e+06 0 e 0 164 174 0 405 5.583 4.070 1 U 1.51e+06 0 e 0 164 185 0 406 5.584 7.922 1 U 1.73e+06 0 e 0 164 187 0 407 2.408 5.584 1 U 1.4e+07 0 e 0 165 164 0 408 2.407 4.858 1 U 7.4e+06 0 e 0 165 167 0 409 2.407 7.461 1 U 6.71e+06 0 e 0 165 174 0 410 2.408 4.068 1 U 2.13e+06 0 e 0 165 185 0 411 2.407 4.133 1 U 3.18e+06 0 e 0 165 186 0 412 2.407 7.922 1 U 5.37e+06 0 e 0 165 187 0 413 2.082 5.584 1 U 5.57e+06 0 e 0 166 164 0 414 2.080 4.858 1 U 1.54e+07 0 e 0 166 167 0 415 2.080 4.132 1 U 1.82e+06 0 e 0 166 168 0 416 2.080 5.649 1 U 1.68e+06 0 e 0 166 171 0 417 2.079 7.460 1 U 2.63e+07 0 e 0 166 174 0 418 2.080 7.922 1 U 3.44e+06 0 e 0 166 187 0 419 4.858 5.584 1 U 1.08e+06 0 e 0 167 164 0 420 4.857 2.406 1 U 5.1e+06 0 e 0 167 165 0 421 4.856 2.081 1 U 8.85e+06 0 e 0 167 166 0 422 4.859 7.461 1 U 3.26e+06 0 e 0 167 174 0 423 4.857 7.922 1 U 1.25e+06 0 e 0 167 187 0 424 4.132 5.584 1 U 5.03e+06 0 e 0 168 164 0 425 5.655 5.998 1 U 4.39e+05 0 e 0 171 147 0 426 5.660 2.182 1 U 2.17e+06 0 e 0 171 149 0 427 5.651 7.461 1 U 1.8e+07 0 e 0 171 174 0 428 4.118 7.460 1 U 2.05e+06 0 e 0 172 174 0 429 4.123 6.002 1 U 4.25e+06 0 e 0 173 147 0 430 7.462 6.000 1 U 1.92e+06 0 e 0 174 147 0 431 7.463 2.481 1 U 5.82e+06 0 e 0 174 148 0 432 7.461 2.182 1 U 1.62e+06 0 e 0 174 149 0 433 7.462 5.584 1 U 1.58e+06 0 e 0 174 164 0 434 7.463 2.407 1 U 4.7e+06 0 e 0 174 165 0 435 7.462 2.081 1 U 1.57e+07 0 e 0 174 166 0 436 7.464 4.860 1 U 3.61e+06 0 e 0 174 167 0 437 7.462 5.650 1 U 2.6e+07 0 e 0 174 171 0 438 7.464 4.131 1 U 1.69e+06 0 e 0 174 173 0 439 7.464 7.922 1 U 5.75e+05 0 e 0 174 187 0 440 5.902 2.693 1 U 4.39e+06 0 e 0 180 182 0 441 5.897 4.994 1 U 2.32e+06 0 e 0 180 183 0 442 5.907 4.398 1 U 3.91e+06 0 e 0 180 184 0 443 5.908 7.922 1 U 1.44e+06 0 e 0 180 187 0 444 5.908 5.378 1 U 1.03e+06 0 e 0 180 201 0 445 5.910 4.264 1 U 3.11e+06 0 e 0 180 203 0 446 2.717 4.392 1 U 1.76e+06 0 e 0 181 184 0 447 2.724 5.378 1 U 3.64e+06 0 e 0 181 201 0 448 2.725 7.400 1 U 8.88e+06 0 e 0 181 204 0 449 2.700 7.922 1 U 1.95e+07 0 e 0 182 187 0 450 4.995 5.907 1 U 2.64e+06 0 e 0 183 180 0 451 4.995 7.922 1 U 1.88e+06 0 e 0 183 187 0 452 4.993 7.400 1 U 1.21e+06 0 e 0 183 204 0 453 4.405 5.908 1 U 4.13e+06 0 e 0 184 180 0 454 4.387 4.997 1 U 1.5e+07 0 e 0 184 183 0 455 4.396 7.923 1 U 4.32e+05 0 e 0 184 187 0 456 4.396 7.399 1 U 5.07e+05 0 e 0 184 204 0 457 4.070 5.584 1 U 1.29e+06 0 e 0 185 164 0 458 4.067 4.999 1 U 8.38e+06 0 e 0 185 183 0 459 4.068 7.922 1 U 8.45e+05 0 e 0 185 187 0 460 4.139 4.996 1 U 2.34e+07 0 e 0 186 183 0 461 4.136 7.923 1 U 1e+06 0 e 0 186 187 0 462 7.922 5.584 1 U 1.37e+06 0 e 0 187 164 0 463 7.923 2.407 1 U 3.03e+06 0 e 0 187 165 0 464 7.922 2.081 1 U 1.71e+06 0 e 0 187 166 0 465 7.922 4.857 1 U 1.34e+06 0 e 0 187 167 0 466 7.922 7.460 1 U 5.51e+05 0 e 0 187 174 0 467 7.922 5.906 1 U 1.34e+06 0 e 0 187 180 0 468 7.924 2.723 1 U 8.17e+06 0 e 0 187 181 0 469 7.923 2.693 1 U 1.35e+07 0 e 0 187 182 0 470 7.923 4.996 1 U 2.19e+06 0 e 0 187 183 0 471 7.923 4.397 1 U 5.87e+05 0 e 0 187 184 0 472 7.921 4.065 1 U 6.36e+05 0 e 0 187 185 0 473 7.923 4.135 1 U 1.02e+06 0 e 0 187 186 0 474 7.922 5.377 1 U 1.65e+06 0 e 0 187 201 0 475 7.924 7.400 1 U 7.35e+05 0 e 0 187 204 0 476 5.945 2.503 1 U 9.75e+06 0 e 0 194 195 0 477 5.942 2.221 1 U 3.14e+06 0 e 0 194 196 0 478 5.945 4.776 1 U 7.88e+05 0 e 0 194 197 0 479 5.938 4.226 1 U 7.95e+06 0 e 0 194 198 0 480 5.940 5.604 1 U 5.63e+05 0 e 0 194 217 0 481 2.502 5.944 1 U 1.38e+07 0 e 0 195 194 0 482 2.501 4.229 1 U 5.32e+06 0 e 0 195 198 0 483 2.500 7.400 1 U 5.13e+06 0 e 0 195 204 0 484 2.499 5.605 1 U 2.25e+06 0 e 0 195 217 0 485 2.216 5.944 1 U 5.99e+06 0 e 0 196 194 0 486 2.215 4.778 1 U 1.38e+07 0 e 0 196 197 0 487 2.212 4.227 1 U 2.12e+06 0 e 0 196 198 0 488 2.214 5.377 1 U 1.14e+06 0 e 0 196 201 0 489 2.215 7.400 1 U 2e+07 0 e 0 196 204 0 490 2.225 5.605 1 U 2.96e+06 0 e 0 196 217 0 491 4.777 5.944 1 U 1.25e+06 0 e 0 197 194 0 492 4.775 4.227 1 U 6.95e+06 0 e 0 197 198 0 493 4.778 7.400 1 U 3.5e+06 0 e 0 197 204 0 494 4.785 5.606 1 U 9.72e+05 0 e 0 197 217 0 495 4.224 5.940 1 U 6.03e+06 0 e 0 198 194 0 496 5.379 5.907 1 U 5.24e+05 0 e 0 201 180 0 497 5.378 2.727 1 U 1.62e+06 0 e 0 201 181 0 498 5.381 2.695 1 U 1.82e+06 0 e 0 201 182 0 499 5.379 7.922 1 U 1.41e+06 0 e 0 201 187 0 500 5.379 7.399 1 U 1.75e+07 0 e 0 201 204 0 501 5.378 5.606 1 U 2.54e+05 0 e 0 201 217 0 502 4.174 7.400 1 U 2.65e+06 0 e 0 202 204 0 503 4.259 5.906 1 U 3.91e+06 0 e 0 203 180 0 504 4.252 7.399 1 U 1.55e+06 0 e 0 203 204 0 505 7.398 5.906 1 U 3.87e+06 0 e 0 204 180 0 506 7.401 2.732 1 U 5.77e+06 0 e 0 204 181 0 507 7.403 4.997 1 U 1.23e+06 0 e 0 204 183 0 508 7.396 7.922 1 U 6.33e+05 0 e 0 204 187 0 509 7.400 5.944 1 U 2.41e+06 0 e 0 204 194 0 510 7.399 2.500 1 U 3.46e+06 0 e 0 204 195 0 511 7.400 2.215 1 U 1.05e+07 0 e 0 204 196 0 512 7.397 4.227 1 U 1.43e+06 0 e 0 204 198 0 513 7.398 5.378 1 U 2.18e+07 0 e 0 204 201 0 514 7.400 4.174 1 U 2.36e+06 0 e 0 204 202 0 515 7.397 4.262 1 U 1.29e+06 0 e 0 204 203 0 516 7.400 5.606 1 U 1.21e+06 0 e 0 204 217 0 517 7.395 7.574 1 U -1.18e+04 0 e 0 204 220 0 518 5.909 2.484 1 U 1.15e+07 0 e 0 210 211 0 519 5.904 2.241 1 U 3.09e+06 0 e 0 210 212 0 520 5.907 4.793 1 U 5.76e+06 0 e 0 210 213 0 521 5.908 4.154 1 U 6.93e+06 0 e 0 210 214 0 522 5.900 7.644 1 U 1.67e+06 0 e 0 210 236 0 523 2.484 5.904 1 U 1.86e+07 0 e 0 211 210 0 524 2.489 4.165 1 U 1.49e+07 0 e 0 211 230 0 525 2.485 5.746 1 U 2.54e+06 0 e 0 211 233 0 526 2.490 4.104 1 U 5.39e+06 0 e 0 211 234 0 527 2.486 7.644 1 U 9.69e+06 0 e 0 211 236 0 528 2.241 5.904 1 U 5.3e+06 0 e 0 212 210 0 529 2.237 4.806 1 U 1.36e+07 0 e 0 212 213 0 530 2.245 5.746 1 U 3.21e+06 0 e 0 212 233 0 531 2.245 4.165 1 U 4.81e+06 0 e 0 212 235 0 532 4.808 5.903 1 U 1.28e+06 0 e 0 213 210 0 533 4.799 7.571 1 U 4.48e+06 0 e 0 213 220 0 534 5.604 5.943 1 U 1.74e+05 0 e 0 217 194 0 535 5.604 2.499 1 U 1.83e+06 0 e 0 217 195 0 536 5.605 2.223 1 U 1.5e+06 0 e 0 217 196 0 537 5.604 5.377 1 U 3.43e+05 0 e 0 217 201 0 538 5.605 7.399 1 U 1.26e+06 0 e 0 217 204 0 539 5.604 7.571 1 U 1.82e+07 0 e 0 217 220 0 540 4.108 5.941 1 U 9.46e+05 0 e 0 218 194 0 541 4.160 5.905 1 U 7.69e+06 0 e 0 219 210 0 542 4.165 7.570 1 U 1.91e+06 0 e 0 219 220 0 543 7.571 5.944 1 U 1.99e+06 0 e 0 220 194 0 544 7.574 7.399 1 U 6.25e+04 0 e 0 220 204 0 545 7.569 5.905 1 U 2.18e+06 0 e 0 220 210 0 546 7.570 2.237 1 U 1.35e+07 0 e 0 220 212 0 547 7.570 5.605 1 U 2.85e+07 0 e 0 220 217 0 548 7.564 4.109 1 U 2.44e+06 0 e 0 220 218 0 549 7.570 4.159 1 U 1.49e+06 0 e 0 220 219 0 550 7.567 5.746 1 U 7.04e+05 0 e 0 220 233 0 551 6.051 2.495 1 U 1.55e+07 0 e 0 226 227 0 552 6.050 2.260 1 U 4.17e+06 0 e 0 226 228 0 553 6.062 4.836 1 U 1.23e+06 0 e 0 226 229 0 554 6.062 4.167 1 U 5.4e+06 0 e 0 226 230 0 555 6.061 7.644 1 U 1.91e+06 0 e 0 226 236 0 556 6.062 7.755 1 U 6.49e+05 0 e 0 226 249 0 557 2.490 6.061 1 U 2.24e+07 0 e 0 227 226 0 558 2.255 6.061 1 U 3.93e+06 0 e 0 228 226 0 559 2.255 4.835 1 U 1.45e+07 0 e 0 228 229 0 560 2.251 4.093 1 U 2.77e+06 0 e 0 228 234 0 561 4.834 6.062 1 U 1.73e+06 0 e 0 229 226 0 562 4.830 2.252 1 U 9.31e+06 0 e 0 229 228 0 563 4.832 7.644 1 U 6.72e+06 0 e 0 229 236 0 564 4.835 7.755 1 U 1.79e+06 0 e 0 229 249 0 565 4.166 6.062 1 U 6.23e+06 0 e 0 230 226 0 566 5.749 2.484 1 U 1.23e+06 0 e 0 233 211 0 567 5.741 2.249 1 U 1.66e+06 0 e 0 233 212 0 568 5.745 7.572 1 U 7.79e+05 0 e 0 233 220 0 569 5.746 7.644 1 U 1.85e+07 0 e 0 233 236 0 570 4.090 5.904 1 U 1.47e+06 0 e 0 234 210 0 571 4.090 7.644 1 U 1.39e+06 0 e 0 234 236 0 572 4.168 7.644 1 U 2.2e+06 0 e 0 235 236 0 573 7.644 5.900 1 U 2.33e+06 0 e 0 236 210 0 574 7.648 2.486 1 U 7.09e+06 0 e 0 236 211 0 575 7.645 6.061 1 U 2.42e+06 0 e 0 236 226 0 576 7.645 4.836 1 U 6.33e+06 0 e 0 236 229 0 577 7.645 5.746 1 U 3.39e+07 0 e 0 236 233 0 578 7.646 4.168 1 U 2.32e+06 0 e 0 236 235 0 579 6.286 4.572 1 U 7.72e+05 0 e 0 243 244 0 580 6.286 4.067 1 U 3.97e+06 0 e 0 243 245 0 581 6.284 4.154 1 U 7.34e+05 0 e 0 243 248 0 582 6.285 7.754 1 U 1.76e+06 0 e 0 243 249 0 583 6.286 2.302 1 U 1.04e+07 0 e 0 243 250 0 584 4.574 6.286 1 U 1.29e+06 0 e 0 244 243 0 585 4.572 5.892 1 U 4.05e+05 0 e 0 244 246 0 586 4.573 7.754 1 U 6.31e+06 0 e 0 244 249 0 587 4.573 2.298 1 U 7.9e+06 0 e 0 244 250 0 588 4.066 6.286 1 U 4.18e+06 0 e 0 245 243 0 589 4.064 4.572 1 U 1.02e+07 0 e 0 245 244 0 590 5.894 7.754 1 U 2.27e+07 0 e 0 246 249 0 591 4.077 6.061 1 U 6.98e+05 0 e 0 247 226 0 592 4.064 7.754 1 U 2.17e+06 0 e 0 247 249 0 593 4.157 6.284 1 U 4.38e+05 0 e 0 248 243 0 594 7.757 6.062 1 U 6.23e+05 0 e 0 249 226 0 595 7.752 4.836 1 U 1.88e+06 0 e 0 249 229 0 596 7.753 6.285 1 U 1.86e+06 0 e 0 249 243 0 597 7.754 4.572 1 U 5.14e+06 0 e 0 249 244 0 598 7.754 5.894 1 U 2.76e+07 0 e 0 249 246 0 599 7.752 4.065 1 U 1.68e+06 0 e 0 249 247 0 600 7.754 2.300 1 U 9.52e+06 0 e 0 249 250 0 601 2.306 6.285 1 U 2.01e+07 0 e 0 250 243 0 602 2.291 4.572 1 U 1.48e+07 0 e 0 250 244 0 603 2.304 5.894 1 U 1.27e+06 0 e 0 250 246 0 604 2.298 4.068 1 U 4.77e+06 0 e 0 250 247 0 605 2.297 7.754 1 U 1.84e+07 0 e 0 250 249 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 8064.516 Hz . . . 4.705 . . 30473 1 2 . . H 1 H . . 8064.516 Hz . . . 4.705 . . 30473 1 stop_ save_