data_30538 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30538 _Entry.Title ; Solution structure of alpha-KTx-6.21 (UroTx) from Urodacus yaschenkoi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-05 _Entry.Accession_date 2018-11-05 _Entry.Last_release_date 2018-11-07 _Entry.Original_release_date 2018-11-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _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' 30538 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 Y. Chin Y. K.-Y. . . 30538 2 K. Luna-Ramirez K. . . . 30538 3 R. Anangi R. . . . 30538 4 G. King G. F. . . 30538 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Scopion toxin; Cysteine-stabilized alpha-beta motif' . 30538 TOXIN . 30538 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30538 spectral_peak_list 3 30538 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 140 30538 '15N chemical shifts' 40 30538 '1H chemical shifts' 217 30538 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 . . 2020-03-05 . original BMRB . 30538 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6MZT . 30538 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30538 _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 ; Molecular determinants of the binding or urotoxin and its analogues in Kv1 channels ; _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 K. Luna-Ramirez K. . . . 30538 1 2 R. Finol-Urdaneta R. . . . 30538 1 3 J. McArthur J. . . . 30538 1 4 R. Anangi R. . . . 30538 1 5 Y. Chin Y. K.-Y. . . 30538 1 6 A. Costi A. . . . 30538 1 7 G. Panyi G. . . . 30538 1 8 R. Najera R. . . . 30538 1 9 G. Gurrola G. . . . 30538 1 10 L. Possani L. D. . . 30538 1 11 D. Adams D. J. . . 30538 1 12 G. King G. F. . . 30538 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30538 _Assembly.ID 1 _Assembly.Name 'Potassium channel toxin alpha-KTx 6.21' _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 . . . . . . 30538 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 5 5 SG . 1 . 1 CYS 26 26 SG . . . . . . . . . . . . 30538 1 2 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 31 31 SG . . . . . . . . . . . . 30538 1 3 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . . . 30538 1 4 disulfide single . 1 . 1 CYS 21 21 SG . 1 . 1 CYS 36 36 SG . . . . . . . . . . . . 30538 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30538 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GDIKCSGTRQCWGPCKKQTT CTNSKCMNGKCKCYGCV ; _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 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4028.794 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Urotoxin common 30538 1 stop_ 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 . GLY . 30538 1 2 . ASP . 30538 1 3 . ILE . 30538 1 4 . LYS . 30538 1 5 . CYS . 30538 1 6 . SER . 30538 1 7 . GLY . 30538 1 8 . THR . 30538 1 9 . ARG . 30538 1 10 . GLN . 30538 1 11 . CYS . 30538 1 12 . TRP . 30538 1 13 . GLY . 30538 1 14 . PRO . 30538 1 15 . CYS . 30538 1 16 . LYS . 30538 1 17 . LYS . 30538 1 18 . GLN . 30538 1 19 . THR . 30538 1 20 . THR . 30538 1 21 . CYS . 30538 1 22 . THR . 30538 1 23 . ASN . 30538 1 24 . SER . 30538 1 25 . LYS . 30538 1 26 . CYS . 30538 1 27 . MET . 30538 1 28 . ASN . 30538 1 29 . GLY . 30538 1 30 . LYS . 30538 1 31 . CYS . 30538 1 32 . LYS . 30538 1 33 . CYS . 30538 1 34 . TYR . 30538 1 35 . GLY . 30538 1 36 . CYS . 30538 1 37 . VAL . 30538 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 . GLY 1 1 30538 1 . ASP 2 2 30538 1 . ILE 3 3 30538 1 . LYS 4 4 30538 1 . CYS 5 5 30538 1 . SER 6 6 30538 1 . GLY 7 7 30538 1 . THR 8 8 30538 1 . ARG 9 9 30538 1 . GLN 10 10 30538 1 . CYS 11 11 30538 1 . TRP 12 12 30538 1 . GLY 13 13 30538 1 . PRO 14 14 30538 1 . CYS 15 15 30538 1 . LYS 16 16 30538 1 . LYS 17 17 30538 1 . GLN 18 18 30538 1 . THR 19 19 30538 1 . THR 20 20 30538 1 . CYS 21 21 30538 1 . THR 22 22 30538 1 . ASN 23 23 30538 1 . SER 24 24 30538 1 . LYS 25 25 30538 1 . CYS 26 26 30538 1 . MET 27 27 30538 1 . ASN 28 28 30538 1 . GLY 29 29 30538 1 . LYS 30 30 30538 1 . CYS 31 31 30538 1 . LYS 32 32 30538 1 . CYS 33 33 30538 1 . TYR 34 34 30538 1 . GLY 35 35 30538 1 . CYS 36 36 30538 1 . VAL 37 37 30538 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 30538 _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 . 1273102 organism . 'Urodacus yaschenkoi' 'Inland robust scorpion' . . Eukaryota Metazoa Urodacus yaschenkoi . . . . . . . . . . . . . 30538 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 30538 _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 . 'recombinant technology' 'Escherichia coli' . . 511693 Escherichia coli BL21 . . . . . . . . . 30538 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30538 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-13C; U-15N] UroTx, 20 mM sodium acetate, 5 % D2O, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 UroTx '[U-13C; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 30538 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 30538 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30538 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30538 _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 pH 5 . pH 30538 1 pressure 1 . atm 30538 1 temperature 298 . K 30538 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30538 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30538 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30538 1 . refinement 30538 1 . 'structure calculation' 30538 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30538 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30538 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30538 2 . 'data analysis' 30538 2 . 'peak picking' 30538 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30538 _Software.ID 3 _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' . . 30538 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30538 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30538 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30538 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30538 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30538 _Software.ID 5 _Software.Type . _Software.Name 'Rowland NMR Toolkit' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID http://www.rowland.org/rnmrtk/toolkit.html . . 30538 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30538 5 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 30538 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30538 _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 AvanceIII . 900 . . . 30538 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 30538 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30538 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30538 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30538 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30538 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30538 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30538 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30538 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30538 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 30538 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.754664603 external indirect 0.25144953 . . . . . 30538 1 H 1 water protons . . . . ppm 4.754664603 external direct 1 . . . . . 30538 1 N 15 water protons . . . . ppm 4.754664603 external indirect 0.101329118 . . . . . 30538 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 30538 _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-15N HSQC' . . . 30538 1 2 '3D CBCA(CO)NH' . . . 30538 1 3 '3D HNCO' . . . 30538 1 4 '3D HNCACB' . . . 30538 1 5 '3D HBHA(CO)NH' . . . 30538 1 6 '3D 1H-15N NOESY' . . . 30538 1 7 '3D 1H-13C NOESY aliphatic' . . . 30538 1 8 '3D 1H-13C NOESY aromatic' . . . 30538 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 GLY HA2 H 1 3.800 0.040 . 2 . . . . A 1 GLY HA2 . 30538 1 2 . 1 . 1 1 1 GLY C C 13 169.683 0.500 . 1 . . . . A 1 GLY C . 30538 1 3 . 1 . 1 1 1 GLY CA C 13 43.310 0.500 . 1 . . . . A 1 GLY CA . 30538 1 4 . 1 . 1 2 2 ASP H H 1 8.600 0.040 . 1 . . . . A 2 ASP H . 30538 1 5 . 1 . 1 2 2 ASP HA H 1 4.651 0.040 . 1 . . . . A 2 ASP HA . 30538 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.461 0.040 . 2 . . . . A 2 ASP HB2 . 30538 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.461 0.040 . 2 . . . . A 2 ASP HB3 . 30538 1 8 . 1 . 1 2 2 ASP C C 13 175.631 0.500 . 1 . . . . A 2 ASP C . 30538 1 9 . 1 . 1 2 2 ASP CA C 13 54.364 0.500 . 1 . . . . A 2 ASP CA . 30538 1 10 . 1 . 1 2 2 ASP CB C 13 42.242 0.500 . 1 . . . . A 2 ASP CB . 30538 1 11 . 1 . 1 2 2 ASP N N 15 120.424 0.500 . 1 . . . . A 2 ASP N . 30538 1 12 . 1 . 1 3 3 ILE H H 1 8.909 0.040 . 1 . . . . A 3 ILE H . 30538 1 13 . 1 . 1 3 3 ILE HA H 1 4.125 0.040 . 1 . . . . A 3 ILE HA . 30538 1 14 . 1 . 1 3 3 ILE HB H 1 1.535 0.040 . 1 . . . . A 3 ILE HB . 30538 1 15 . 1 . 1 3 3 ILE HG12 H 1 1.498 0.040 . 2 . . . . A 3 ILE HG12 . 30538 1 16 . 1 . 1 3 3 ILE HG13 H 1 1.099 0.040 . 2 . . . . A 3 ILE HG13 . 30538 1 17 . 1 . 1 3 3 ILE HG21 H 1 0.854 0.040 . 1 . . . . A 3 ILE HG21 . 30538 1 18 . 1 . 1 3 3 ILE HG22 H 1 0.854 0.040 . 1 . . . . A 3 ILE HG22 . 30538 1 19 . 1 . 1 3 3 ILE HG23 H 1 0.854 0.040 . 1 . . . . A 3 ILE HG23 . 30538 1 20 . 1 . 1 3 3 ILE HD11 H 1 0.769 0.040 . 1 . . . . A 3 ILE HD11 . 30538 1 21 . 1 . 1 3 3 ILE HD12 H 1 0.769 0.040 . 1 . . . . A 3 ILE HD12 . 30538 1 22 . 1 . 1 3 3 ILE HD13 H 1 0.769 0.040 . 1 . . . . A 3 ILE HD13 . 30538 1 23 . 1 . 1 3 3 ILE C C 13 175.309 0.500 . 1 . . . . A 3 ILE C . 30538 1 24 . 1 . 1 3 3 ILE CA C 13 60.297 0.500 . 1 . . . . A 3 ILE CA . 30538 1 25 . 1 . 1 3 3 ILE CB C 13 39.468 0.500 . 1 . . . . A 3 ILE CB . 30538 1 26 . 1 . 1 3 3 ILE CG1 C 13 26.650 0.500 . 1 . . . . A 3 ILE CG1 . 30538 1 27 . 1 . 1 3 3 ILE CG2 C 13 18.184 0.500 . 1 . . . . A 3 ILE CG2 . 30538 1 28 . 1 . 1 3 3 ILE CD1 C 13 13.190 0.500 . 1 . . . . A 3 ILE CD1 . 30538 1 29 . 1 . 1 3 3 ILE N N 15 124.080 0.500 . 1 . . . . A 3 ILE N . 30538 1 30 . 1 . 1 4 4 LYS H H 1 8.397 0.040 . 1 . . . . A 4 LYS H . 30538 1 31 . 1 . 1 4 4 LYS HA H 1 4.649 0.040 . 1 . . . . A 4 LYS HA . 30538 1 32 . 1 . 1 4 4 LYS HB2 H 1 1.758 0.040 . 2 . . . . A 4 LYS HB2 . 30538 1 33 . 1 . 1 4 4 LYS HB3 H 1 1.696 0.040 . 2 . . . . A 4 LYS HB3 . 30538 1 34 . 1 . 1 4 4 LYS C C 13 175.465 0.500 . 1 . . . . A 4 LYS C . 30538 1 35 . 1 . 1 4 4 LYS CA C 13 56.591 0.500 . 1 . . . . A 4 LYS CA . 30538 1 36 . 1 . 1 4 4 LYS CB C 13 33.289 0.500 . 1 . . . . A 4 LYS CB . 30538 1 37 . 1 . 1 4 4 LYS N N 15 127.179 0.500 . 1 . . . . A 4 LYS N . 30538 1 38 . 1 . 1 5 5 CYS H H 1 8.013 0.040 . 1 . . . . A 5 CYS H . 30538 1 39 . 1 . 1 5 5 CYS HA H 1 4.802 0.040 . 1 . . . . A 5 CYS HA . 30538 1 40 . 1 . 1 5 5 CYS HB2 H 1 3.124 0.040 . 2 . . . . A 5 CYS HB2 . 30538 1 41 . 1 . 1 5 5 CYS HB3 H 1 2.918 0.040 . 2 . . . . A 5 CYS HB3 . 30538 1 42 . 1 . 1 5 5 CYS C C 13 172.985 0.500 . 1 . . . . A 5 CYS C . 30538 1 43 . 1 . 1 5 5 CYS CA C 13 53.869 0.500 . 1 . . . . A 5 CYS CA . 30538 1 44 . 1 . 1 5 5 CYS CB C 13 46.640 0.500 . 1 . . . . A 5 CYS CB . 30538 1 45 . 1 . 1 5 5 CYS N N 15 115.248 0.500 . 1 . . . . A 5 CYS N . 30538 1 46 . 1 . 1 6 6 SER H H 1 9.041 0.040 . 1 . . . . A 6 SER H . 30538 1 47 . 1 . 1 6 6 SER HA H 1 4.552 0.040 . 1 . . . . A 6 SER HA . 30538 1 48 . 1 . 1 6 6 SER HB2 H 1 3.901 0.040 . 2 . . . . A 6 SER HB2 . 30538 1 49 . 1 . 1 6 6 SER HB3 H 1 3.758 0.040 . 2 . . . . A 6 SER HB3 . 30538 1 50 . 1 . 1 6 6 SER C C 13 174.121 0.500 . 1 . . . . A 6 SER C . 30538 1 51 . 1 . 1 6 6 SER CA C 13 57.813 0.500 . 1 . . . . A 6 SER CA . 30538 1 52 . 1 . 1 6 6 SER CB C 13 64.105 0.500 . 1 . . . . A 6 SER CB . 30538 1 53 . 1 . 1 6 6 SER N N 15 113.812 0.500 . 1 . . . . A 6 SER N . 30538 1 54 . 1 . 1 7 7 GLY H H 1 7.534 0.040 . 1 . . . . A 7 GLY H . 30538 1 55 . 1 . 1 7 7 GLY HA2 H 1 4.283 0.040 . 2 . . . . A 7 GLY HA2 . 30538 1 56 . 1 . 1 7 7 GLY HA3 H 1 3.926 0.040 . 2 . . . . A 7 GLY HA3 . 30538 1 57 . 1 . 1 7 7 GLY C C 13 173.673 0.500 . 1 . . . . A 7 GLY C . 30538 1 58 . 1 . 1 7 7 GLY CA C 13 44.559 0.500 . 1 . . . . A 7 GLY CA . 30538 1 59 . 1 . 1 7 7 GLY N N 15 110.373 0.500 . 1 . . . . A 7 GLY N . 30538 1 60 . 1 . 1 8 8 THR H H 1 8.843 0.040 . 1 . . . . A 8 THR H . 30538 1 61 . 1 . 1 8 8 THR HA H 1 3.549 0.040 . 1 . . . . A 8 THR HA . 30538 1 62 . 1 . 1 8 8 THR HB H 1 4.087 0.040 . 1 . . . . A 8 THR HB . 30538 1 63 . 1 . 1 8 8 THR HG21 H 1 1.300 0.040 . 1 . . . . A 8 THR HG21 . 30538 1 64 . 1 . 1 8 8 THR HG22 H 1 1.300 0.040 . 1 . . . . A 8 THR HG22 . 30538 1 65 . 1 . 1 8 8 THR HG23 H 1 1.300 0.040 . 1 . . . . A 8 THR HG23 . 30538 1 66 . 1 . 1 8 8 THR C C 13 175.135 0.500 . 1 . . . . A 8 THR C . 30538 1 67 . 1 . 1 8 8 THR CA C 13 67.341 0.500 . 1 . . . . A 8 THR CA . 30538 1 68 . 1 . 1 8 8 THR CB C 13 69.115 0.500 . 1 . . . . A 8 THR CB . 30538 1 69 . 1 . 1 8 8 THR CG2 C 13 24.297 0.500 . 1 . . . . A 8 THR CG2 . 30538 1 70 . 1 . 1 8 8 THR N N 15 120.646 0.500 . 1 . . . . A 8 THR N . 30538 1 71 . 1 . 1 9 9 ARG H H 1 8.461 0.040 . 1 . . . . A 9 ARG H . 30538 1 72 . 1 . 1 9 9 ARG HA H 1 2.269 0.040 . 1 . . . . A 9 ARG HA . 30538 1 73 . 1 . 1 9 9 ARG HB2 H 1 1.233 0.040 . 2 . . . . A 9 ARG HB2 . 30538 1 74 . 1 . 1 9 9 ARG HB3 H 1 1.176 0.040 . 2 . . . . A 9 ARG HB3 . 30538 1 75 . 1 . 1 9 9 ARG HG2 H 1 0.959 0.040 . 2 . . . . A 9 ARG HG2 . 30538 1 76 . 1 . 1 9 9 ARG HG3 H 1 0.854 0.040 . 2 . . . . A 9 ARG HG3 . 30538 1 77 . 1 . 1 9 9 ARG HD2 H 1 2.611 0.040 . 2 . . . . A 9 ARG HD2 . 30538 1 78 . 1 . 1 9 9 ARG HD3 H 1 2.611 0.040 . 2 . . . . A 9 ARG HD3 . 30538 1 79 . 1 . 1 9 9 ARG C C 13 178.131 0.500 . 1 . . . . A 9 ARG C . 30538 1 80 . 1 . 1 9 9 ARG CA C 13 57.885 0.500 . 1 . . . . A 9 ARG CA . 30538 1 81 . 1 . 1 9 9 ARG CB C 13 28.690 0.500 . 1 . . . . A 9 ARG CB . 30538 1 82 . 1 . 1 9 9 ARG CG C 13 26.868 0.500 . 1 . . . . A 9 ARG CG . 30538 1 83 . 1 . 1 9 9 ARG CD C 13 42.629 0.500 . 1 . . . . A 9 ARG CD . 30538 1 84 . 1 . 1 9 9 ARG N N 15 119.316 0.500 . 1 . . . . A 9 ARG N . 30538 1 85 . 1 . 1 10 10 GLN H H 1 7.154 0.040 . 1 . . . . A 10 GLN H . 30538 1 86 . 1 . 1 10 10 GLN HA H 1 4.027 0.040 . 1 . . . . A 10 GLN HA . 30538 1 87 . 1 . 1 10 10 GLN HB2 H 1 2.145 0.040 . 2 . . . . A 10 GLN HB2 . 30538 1 88 . 1 . 1 10 10 GLN HB3 H 1 2.145 0.040 . 2 . . . . A 10 GLN HB3 . 30538 1 89 . 1 . 1 10 10 GLN HG2 H 1 2.408 0.040 . 2 . . . . A 10 GLN HG2 . 30538 1 90 . 1 . 1 10 10 GLN HG3 H 1 2.279 0.040 . 2 . . . . A 10 GLN HG3 . 30538 1 91 . 1 . 1 10 10 GLN HE21 H 1 7.532 0.040 . 2 . . . . A 10 GLN HE21 . 30538 1 92 . 1 . 1 10 10 GLN HE22 H 1 6.869 0.040 . 2 . . . . A 10 GLN HE22 . 30538 1 93 . 1 . 1 10 10 GLN C C 13 176.738 0.500 . 1 . . . . A 10 GLN C . 30538 1 94 . 1 . 1 10 10 GLN CA C 13 57.570 0.500 . 1 . . . . A 10 GLN CA . 30538 1 95 . 1 . 1 10 10 GLN CB C 13 28.996 0.500 . 1 . . . . A 10 GLN CB . 30538 1 96 . 1 . 1 10 10 GLN CG C 13 34.617 0.500 . 1 . . . . A 10 GLN CG . 30538 1 97 . 1 . 1 10 10 GLN N N 15 115.938 0.500 . 1 . . . . A 10 GLN N . 30538 1 98 . 1 . 1 10 10 GLN NE2 N 15 112.277 0.500 . 1 . . . . A 10 GLN NE2 . 30538 1 99 . 1 . 1 11 11 CYS H H 1 8.144 0.040 . 1 . . . . A 11 CYS H . 30538 1 100 . 1 . 1 11 11 CYS HA H 1 4.676 0.040 . 1 . . . . A 11 CYS HA . 30538 1 101 . 1 . 1 11 11 CYS HB2 H 1 3.249 0.040 . 2 . . . . A 11 CYS HB2 . 30538 1 102 . 1 . 1 11 11 CYS HB3 H 1 3.151 0.040 . 2 . . . . A 11 CYS HB3 . 30538 1 103 . 1 . 1 11 11 CYS C C 13 175.663 0.500 . 1 . . . . A 11 CYS C . 30538 1 104 . 1 . 1 11 11 CYS CA C 13 54.413 0.500 . 1 . . . . A 11 CYS CA . 30538 1 105 . 1 . 1 11 11 CYS CB C 13 38.387 0.500 . 1 . . . . A 11 CYS CB . 30538 1 106 . 1 . 1 11 11 CYS N N 15 114.438 0.500 . 1 . . . . A 11 CYS N . 30538 1 107 . 1 . 1 12 12 TRP H H 1 7.293 0.040 . 1 . . . . A 12 TRP H . 30538 1 108 . 1 . 1 12 12 TRP HA H 1 4.536 0.040 . 1 . . . . A 12 TRP HA . 30538 1 109 . 1 . 1 12 12 TRP HB2 H 1 3.303 0.040 . 2 . . . . A 12 TRP HB2 . 30538 1 110 . 1 . 1 12 12 TRP HB3 H 1 3.139 0.040 . 2 . . . . A 12 TRP HB3 . 30538 1 111 . 1 . 1 12 12 TRP HD1 H 1 7.031 0.040 . 1 . . . . A 12 TRP HD1 . 30538 1 112 . 1 . 1 12 12 TRP HE1 H 1 9.856 0.040 . 1 . . . . A 12 TRP HE1 . 30538 1 113 . 1 . 1 12 12 TRP HE3 H 1 7.589 0.040 . 1 . . . . A 12 TRP HE3 . 30538 1 114 . 1 . 1 12 12 TRP HZ2 H 1 7.419 0.040 . 1 . . . . A 12 TRP HZ2 . 30538 1 115 . 1 . 1 12 12 TRP HZ3 H 1 7.119 0.040 . 1 . . . . A 12 TRP HZ3 . 30538 1 116 . 1 . 1 12 12 TRP HH2 H 1 7.191 0.040 . 1 . . . . A 12 TRP HH2 . 30538 1 117 . 1 . 1 12 12 TRP C C 13 177.583 0.500 . 1 . . . . A 12 TRP C . 30538 1 118 . 1 . 1 12 12 TRP CA C 13 59.944 0.500 . 1 . . . . A 12 TRP CA . 30538 1 119 . 1 . 1 12 12 TRP CB C 13 29.057 0.500 . 1 . . . . A 12 TRP CB . 30538 1 120 . 1 . 1 12 12 TRP CD1 C 13 124.992 0.500 . 1 . . . . A 12 TRP CD1 . 30538 1 121 . 1 . 1 12 12 TRP CE3 C 13 120.812 0.500 . 1 . . . . A 12 TRP CE3 . 30538 1 122 . 1 . 1 12 12 TRP CZ2 C 13 114.272 0.500 . 1 . . . . A 12 TRP CZ2 . 30538 1 123 . 1 . 1 12 12 TRP CZ3 C 13 122.085 0.500 . 1 . . . . A 12 TRP CZ3 . 30538 1 124 . 1 . 1 12 12 TRP CH2 C 13 124.769 0.500 . 1 . . . . A 12 TRP CH2 . 30538 1 125 . 1 . 1 12 12 TRP N N 15 122.082 0.500 . 1 . . . . A 12 TRP N . 30538 1 126 . 1 . 1 12 12 TRP NE1 N 15 127.645 0.500 . 1 . . . . A 12 TRP NE1 . 30538 1 127 . 1 . 1 13 13 GLY H H 1 9.080 0.040 . 1 . . . . A 13 GLY H . 30538 1 128 . 1 . 1 13 13 GLY HA2 H 1 4.025 0.040 . 2 . . . . A 13 GLY HA2 . 30538 1 129 . 1 . 1 13 13 GLY HA3 H 1 3.907 0.040 . 2 . . . . A 13 GLY HA3 . 30538 1 130 . 1 . 1 13 13 GLY CA C 13 47.752 0.500 . 1 . . . . A 13 GLY CA . 30538 1 131 . 1 . 1 13 13 GLY N N 15 105.099 0.500 . 1 . . . . A 13 GLY N . 30538 1 132 . 1 . 1 14 14 PRO HA H 1 4.256 0.040 . 1 . . . . A 14 PRO HA . 30538 1 133 . 1 . 1 14 14 PRO HB2 H 1 1.826 0.040 . 2 . . . . A 14 PRO HB2 . 30538 1 134 . 1 . 1 14 14 PRO HB3 H 1 2.436 0.040 . 2 . . . . A 14 PRO HB3 . 30538 1 135 . 1 . 1 14 14 PRO HG2 H 1 2.043 0.040 . 2 . . . . A 14 PRO HG2 . 30538 1 136 . 1 . 1 14 14 PRO HG3 H 1 2.248 0.040 . 2 . . . . A 14 PRO HG3 . 30538 1 137 . 1 . 1 14 14 PRO HD2 H 1 3.720 0.040 . 2 . . . . A 14 PRO HD2 . 30538 1 138 . 1 . 1 14 14 PRO HD3 H 1 3.613 0.040 . 2 . . . . A 14 PRO HD3 . 30538 1 139 . 1 . 1 14 14 PRO C C 13 180.237 0.500 . 1 . . . . A 14 PRO C . 30538 1 140 . 1 . 1 14 14 PRO CA C 13 65.461 0.500 . 1 . . . . A 14 PRO CA . 30538 1 141 . 1 . 1 14 14 PRO CB C 13 32.685 0.500 . 1 . . . . A 14 PRO CB . 30538 1 142 . 1 . 1 14 14 PRO CG C 13 27.950 0.500 . 1 . . . . A 14 PRO CG . 30538 1 143 . 1 . 1 14 14 PRO CD C 13 51.257 0.500 . 1 . . . . A 14 PRO CD . 30538 1 144 . 1 . 1 15 15 CYS H H 1 8.478 0.040 . 1 . . . . A 15 CYS H . 30538 1 145 . 1 . 1 15 15 CYS HA H 1 4.750 0.040 . 1 . . . . A 15 CYS HA . 30538 1 146 . 1 . 1 15 15 CYS HB2 H 1 3.433 0.040 . 2 . . . . A 15 CYS HB2 . 30538 1 147 . 1 . 1 15 15 CYS HB3 H 1 2.909 0.040 . 2 . . . . A 15 CYS HB3 . 30538 1 148 . 1 . 1 15 15 CYS C C 13 178.283 0.500 . 1 . . . . A 15 CYS C . 30538 1 149 . 1 . 1 15 15 CYS CA C 13 56.068 0.500 . 1 . . . . A 15 CYS CA . 30538 1 150 . 1 . 1 15 15 CYS CB C 13 33.930 0.500 . 1 . . . . A 15 CYS CB . 30538 1 151 . 1 . 1 15 15 CYS N N 15 115.051 0.500 . 1 . . . . A 15 CYS N . 30538 1 152 . 1 . 1 16 16 LYS H H 1 8.731 0.040 . 1 . . . . A 16 LYS H . 30538 1 153 . 1 . 1 16 16 LYS HA H 1 3.715 0.040 . 1 . . . . A 16 LYS HA . 30538 1 154 . 1 . 1 16 16 LYS HB2 H 1 1.987 0.040 . 2 . . . . A 16 LYS HB2 . 30538 1 155 . 1 . 1 16 16 LYS HB3 H 1 1.592 0.040 . 2 . . . . A 16 LYS HB3 . 30538 1 156 . 1 . 1 16 16 LYS HG2 H 1 0.934 0.040 . 2 . . . . A 16 LYS HG2 . 30538 1 157 . 1 . 1 16 16 LYS HG3 H 1 1.202 0.040 . 2 . . . . A 16 LYS HG3 . 30538 1 158 . 1 . 1 16 16 LYS HD2 H 1 1.538 0.040 . 2 . . . . A 16 LYS HD2 . 30538 1 159 . 1 . 1 16 16 LYS HD3 H 1 1.438 0.040 . 2 . . . . A 16 LYS HD3 . 30538 1 160 . 1 . 1 16 16 LYS HE2 H 1 2.889 0.040 . 2 . . . . A 16 LYS HE2 . 30538 1 161 . 1 . 1 16 16 LYS HE3 H 1 2.889 0.040 . 2 . . . . A 16 LYS HE3 . 30538 1 162 . 1 . 1 16 16 LYS C C 13 179.846 0.500 . 1 . . . . A 16 LYS C . 30538 1 163 . 1 . 1 16 16 LYS CA C 13 59.755 0.500 . 1 . . . . A 16 LYS CA . 30538 1 164 . 1 . 1 16 16 LYS CB C 13 31.886 0.500 . 1 . . . . A 16 LYS CB . 30538 1 165 . 1 . 1 16 16 LYS CG C 13 25.259 0.500 . 1 . . . . A 16 LYS CG . 30538 1 166 . 1 . 1 16 16 LYS CD C 13 29.595 0.500 . 1 . . . . A 16 LYS CD . 30538 1 167 . 1 . 1 16 16 LYS CE C 13 42.236 0.500 . 1 . . . . A 16 LYS CE . 30538 1 168 . 1 . 1 16 16 LYS N N 15 128.572 0.500 . 1 . . . . A 16 LYS N . 30538 1 169 . 1 . 1 17 17 LYS H H 1 8.152 0.040 . 1 . . . . A 17 LYS H . 30538 1 170 . 1 . 1 17 17 LYS HA H 1 3.974 0.040 . 1 . . . . A 17 LYS HA . 30538 1 171 . 1 . 1 17 17 LYS HB2 H 1 1.891 0.040 . 2 . . . . A 17 LYS HB2 . 30538 1 172 . 1 . 1 17 17 LYS HB3 H 1 1.986 0.040 . 2 . . . . A 17 LYS HB3 . 30538 1 173 . 1 . 1 17 17 LYS HG2 H 1 1.487 0.040 . 2 . . . . A 17 LYS HG2 . 30538 1 174 . 1 . 1 17 17 LYS HG3 H 1 1.405 0.040 . 2 . . . . A 17 LYS HG3 . 30538 1 175 . 1 . 1 17 17 LYS HD2 H 1 1.643 0.040 . 2 . . . . A 17 LYS HD2 . 30538 1 176 . 1 . 1 17 17 LYS HE2 H 1 2.936 0.040 . 2 . . . . A 17 LYS HE2 . 30538 1 177 . 1 . 1 17 17 LYS C C 13 178.093 0.500 . 1 . . . . A 17 LYS C . 30538 1 178 . 1 . 1 17 17 LYS CA C 13 59.425 0.500 . 1 . . . . A 17 LYS CA . 30538 1 179 . 1 . 1 17 17 LYS CB C 13 31.915 0.500 . 1 . . . . A 17 LYS CB . 30538 1 180 . 1 . 1 17 17 LYS CG C 13 25.029 0.500 . 1 . . . . A 17 LYS CG . 30538 1 181 . 1 . 1 17 17 LYS CD C 13 29.110 0.500 . 1 . . . . A 17 LYS CD . 30538 1 182 . 1 . 1 17 17 LYS CE C 13 42.111 0.500 . 1 . . . . A 17 LYS CE . 30538 1 183 . 1 . 1 17 17 LYS N N 15 121.669 0.500 . 1 . . . . A 17 LYS N . 30538 1 184 . 1 . 1 18 18 GLN H H 1 7.594 0.040 . 1 . . . . A 18 GLN H . 30538 1 185 . 1 . 1 18 18 GLN HA H 1 4.230 0.040 . 1 . . . . A 18 GLN HA . 30538 1 186 . 1 . 1 18 18 GLN HB2 H 1 2.220 0.040 . 2 . . . . A 18 GLN HB2 . 30538 1 187 . 1 . 1 18 18 GLN HB3 H 1 2.220 0.040 . 2 . . . . A 18 GLN HB3 . 30538 1 188 . 1 . 1 18 18 GLN HG2 H 1 2.527 0.040 . 2 . . . . A 18 GLN HG2 . 30538 1 189 . 1 . 1 18 18 GLN HG3 H 1 2.323 0.040 . 2 . . . . A 18 GLN HG3 . 30538 1 190 . 1 . 1 18 18 GLN HE21 H 1 7.343 0.040 . 2 . . . . A 18 GLN HE21 . 30538 1 191 . 1 . 1 18 18 GLN HE22 H 1 6.693 0.040 . 2 . . . . A 18 GLN HE22 . 30538 1 192 . 1 . 1 18 18 GLN C C 13 177.890 0.500 . 1 . . . . A 18 GLN C . 30538 1 193 . 1 . 1 18 18 GLN CA C 13 58.671 0.500 . 1 . . . . A 18 GLN CA . 30538 1 194 . 1 . 1 18 18 GLN CB C 13 30.760 0.500 . 1 . . . . A 18 GLN CB . 30538 1 195 . 1 . 1 18 18 GLN CG C 13 34.102 0.500 . 1 . . . . A 18 GLN CG . 30538 1 196 . 1 . 1 18 18 GLN N N 15 114.543 0.500 . 1 . . . . A 18 GLN N . 30538 1 197 . 1 . 1 18 18 GLN NE2 N 15 110.565 0.500 . 1 . . . . A 18 GLN NE2 . 30538 1 198 . 1 . 1 19 19 THR H H 1 8.401 0.040 . 1 . . . . A 19 THR H . 30538 1 199 . 1 . 1 19 19 THR HA H 1 4.900 0.040 . 1 . . . . A 19 THR HA . 30538 1 200 . 1 . 1 19 19 THR HB H 1 4.509 0.040 . 1 . . . . A 19 THR HB . 30538 1 201 . 1 . 1 19 19 THR HG21 H 1 1.208 0.040 . 1 . . . . A 19 THR HG21 . 30538 1 202 . 1 . 1 19 19 THR HG22 H 1 1.208 0.040 . 1 . . . . A 19 THR HG22 . 30538 1 203 . 1 . 1 19 19 THR HG23 H 1 1.208 0.040 . 1 . . . . A 19 THR HG23 . 30538 1 204 . 1 . 1 19 19 THR C C 13 176.286 0.500 . 1 . . . . A 19 THR C . 30538 1 205 . 1 . 1 19 19 THR CA C 13 62.531 0.500 . 1 . . . . A 19 THR CA . 30538 1 206 . 1 . 1 19 19 THR CB C 13 73.411 0.500 . 1 . . . . A 19 THR CB . 30538 1 207 . 1 . 1 19 19 THR CG2 C 13 20.633 0.500 . 1 . . . . A 19 THR CG2 . 30538 1 208 . 1 . 1 19 19 THR N N 15 105.443 0.500 . 1 . . . . A 19 THR N . 30538 1 209 . 1 . 1 20 20 THR H H 1 8.535 0.040 . 1 . . . . A 20 THR H . 30538 1 210 . 1 . 1 20 20 THR HA H 1 4.299 0.040 . 1 . . . . A 20 THR HA . 30538 1 211 . 1 . 1 20 20 THR HB H 1 4.543 0.040 . 1 . . . . A 20 THR HB . 30538 1 212 . 1 . 1 20 20 THR HG21 H 1 1.224 0.040 . 1 . . . . A 20 THR HG21 . 30538 1 213 . 1 . 1 20 20 THR HG22 H 1 1.224 0.040 . 1 . . . . A 20 THR HG22 . 30538 1 214 . 1 . 1 20 20 THR HG23 H 1 1.224 0.040 . 1 . . . . A 20 THR HG23 . 30538 1 215 . 1 . 1 20 20 THR C C 13 173.253 0.500 . 1 . . . . A 20 THR C . 30538 1 216 . 1 . 1 20 20 THR CA C 13 67.329 0.500 . 1 . . . . A 20 THR CA . 30538 1 217 . 1 . 1 20 20 THR CB C 13 69.153 0.500 . 1 . . . . A 20 THR CB . 30538 1 218 . 1 . 1 20 20 THR CG2 C 13 21.728 0.500 . 1 . . . . A 20 THR CG2 . 30538 1 219 . 1 . 1 20 20 THR N N 15 116.430 0.500 . 1 . . . . A 20 THR N . 30538 1 220 . 1 . 1 21 21 CYS H H 1 8.500 0.040 . 1 . . . . A 21 CYS H . 30538 1 221 . 1 . 1 21 21 CYS HA H 1 4.986 0.040 . 1 . . . . A 21 CYS HA . 30538 1 222 . 1 . 1 21 21 CYS HB2 H 1 3.788 0.040 . 2 . . . . A 21 CYS HB2 . 30538 1 223 . 1 . 1 21 21 CYS HB3 H 1 2.084 0.040 . 2 . . . . A 21 CYS HB3 . 30538 1 224 . 1 . 1 21 21 CYS C C 13 173.828 0.500 . 1 . . . . A 21 CYS C . 30538 1 225 . 1 . 1 21 21 CYS CA C 13 56.809 0.500 . 1 . . . . A 21 CYS CA . 30538 1 226 . 1 . 1 21 21 CYS CB C 13 50.306 0.500 . 1 . . . . A 21 CYS CB . 30538 1 227 . 1 . 1 21 21 CYS N N 15 119.999 0.500 . 1 . . . . A 21 CYS N . 30538 1 228 . 1 . 1 22 22 THR H H 1 8.396 0.040 . 1 . . . . A 22 THR H . 30538 1 229 . 1 . 1 22 22 THR HA H 1 3.960 0.040 . 1 . . . . A 22 THR HA . 30538 1 230 . 1 . 1 22 22 THR HB H 1 3.745 0.040 . 1 . . . . A 22 THR HB . 30538 1 231 . 1 . 1 22 22 THR HG21 H 1 1.043 0.040 . 1 . . . . A 22 THR HG21 . 30538 1 232 . 1 . 1 22 22 THR HG22 H 1 1.043 0.040 . 1 . . . . A 22 THR HG22 . 30538 1 233 . 1 . 1 22 22 THR HG23 H 1 1.043 0.040 . 1 . . . . A 22 THR HG23 . 30538 1 234 . 1 . 1 22 22 THR C C 13 175.297 0.500 . 1 . . . . A 22 THR C . 30538 1 235 . 1 . 1 22 22 THR CA C 13 62.966 0.500 . 1 . . . . A 22 THR CA . 30538 1 236 . 1 . 1 22 22 THR CB C 13 69.540 0.500 . 1 . . . . A 22 THR CB . 30538 1 237 . 1 . 1 22 22 THR CG2 C 13 22.355 0.500 . 1 . . . . A 22 THR CG2 . 30538 1 238 . 1 . 1 22 22 THR N N 15 111.211 0.500 . 1 . . . . A 22 THR N . 30538 1 239 . 1 . 1 23 23 ASN H H 1 7.443 0.040 . 1 . . . . A 23 ASN H . 30538 1 240 . 1 . 1 23 23 ASN HA H 1 4.396 0.040 . 1 . . . . A 23 ASN HA . 30538 1 241 . 1 . 1 23 23 ASN HB2 H 1 3.033 0.040 . 2 . . . . A 23 ASN HB2 . 30538 1 242 . 1 . 1 23 23 ASN HB3 H 1 2.905 0.040 . 2 . . . . A 23 ASN HB3 . 30538 1 243 . 1 . 1 23 23 ASN HD21 H 1 6.977 0.040 . 2 . . . . A 23 ASN HD21 . 30538 1 244 . 1 . 1 23 23 ASN HD22 H 1 7.710 0.040 . 2 . . . . A 23 ASN HD22 . 30538 1 245 . 1 . 1 23 23 ASN C C 13 175.898 0.500 . 1 . . . . A 23 ASN C . 30538 1 246 . 1 . 1 23 23 ASN CA C 13 55.374 0.500 . 1 . . . . A 23 ASN CA . 30538 1 247 . 1 . 1 23 23 ASN CB C 13 37.655 0.500 . 1 . . . . A 23 ASN CB . 30538 1 248 . 1 . 1 23 23 ASN N N 15 116.204 0.500 . 1 . . . . A 23 ASN N . 30538 1 249 . 1 . 1 23 23 ASN ND2 N 15 113.718 0.500 . 1 . . . . A 23 ASN ND2 . 30538 1 250 . 1 . 1 24 24 SER H H 1 8.494 0.040 . 1 . . . . A 24 SER H . 30538 1 251 . 1 . 1 24 24 SER HA H 1 5.137 0.040 . 1 . . . . A 24 SER HA . 30538 1 252 . 1 . 1 24 24 SER HB2 H 1 3.379 0.040 . 2 . . . . A 24 SER HB2 . 30538 1 253 . 1 . 1 24 24 SER HB3 H 1 4.438 0.040 . 2 . . . . A 24 SER HB3 . 30538 1 254 . 1 . 1 24 24 SER C C 13 173.373 0.500 . 1 . . . . A 24 SER C . 30538 1 255 . 1 . 1 24 24 SER CA C 13 58.593 0.500 . 1 . . . . A 24 SER CA . 30538 1 256 . 1 . 1 24 24 SER CB C 13 67.783 0.500 . 1 . . . . A 24 SER CB . 30538 1 257 . 1 . 1 24 24 SER N N 15 120.589 0.500 . 1 . . . . A 24 SER N . 30538 1 258 . 1 . 1 25 25 LYS H H 1 8.261 0.040 . 1 . . . . A 25 LYS H . 30538 1 259 . 1 . 1 25 25 LYS HA H 1 4.612 0.040 . 1 . . . . A 25 LYS HA . 30538 1 260 . 1 . 1 25 25 LYS HB2 H 1 1.952 0.040 . 2 . . . . A 25 LYS HB2 . 30538 1 261 . 1 . 1 25 25 LYS HB3 H 1 1.712 0.040 . 2 . . . . A 25 LYS HB3 . 30538 1 262 . 1 . 1 25 25 LYS HG2 H 1 1.439 0.040 . 2 . . . . A 25 LYS HG2 . 30538 1 263 . 1 . 1 25 25 LYS HG3 H 1 1.296 0.040 . 2 . . . . A 25 LYS HG3 . 30538 1 264 . 1 . 1 25 25 LYS HD2 H 1 1.784 0.040 . 2 . . . . A 25 LYS HD2 . 30538 1 265 . 1 . 1 25 25 LYS HD3 H 1 1.784 0.040 . 2 . . . . A 25 LYS HD3 . 30538 1 266 . 1 . 1 25 25 LYS HE2 H 1 3.021 0.040 . 2 . . . . A 25 LYS HE2 . 30538 1 267 . 1 . 1 25 25 LYS HE3 H 1 3.021 0.040 . 2 . . . . A 25 LYS HE3 . 30538 1 268 . 1 . 1 25 25 LYS C C 13 174.395 0.500 . 1 . . . . A 25 LYS C . 30538 1 269 . 1 . 1 25 25 LYS CA C 13 55.947 0.500 . 1 . . . . A 25 LYS CA . 30538 1 270 . 1 . 1 25 25 LYS CB C 13 38.111 0.500 . 1 . . . . A 25 LYS CB . 30538 1 271 . 1 . 1 25 25 LYS CG C 13 25.706 0.500 . 1 . . . . A 25 LYS CG . 30538 1 272 . 1 . 1 25 25 LYS CD C 13 29.466 0.500 . 1 . . . . A 25 LYS CD . 30538 1 273 . 1 . 1 25 25 LYS CE C 13 42.278 0.500 . 1 . . . . A 25 LYS CE . 30538 1 274 . 1 . 1 25 25 LYS N N 15 115.843 0.500 . 1 . . . . A 25 LYS N . 30538 1 275 . 1 . 1 26 26 CYS H H 1 8.522 0.040 . 1 . . . . A 26 CYS H . 30538 1 276 . 1 . 1 26 26 CYS HA H 1 4.775 0.040 . 1 . . . . A 26 CYS HA . 30538 1 277 . 1 . 1 26 26 CYS HB2 H 1 2.466 0.040 . 2 . . . . A 26 CYS HB2 . 30538 1 278 . 1 . 1 26 26 CYS HB3 H 1 2.794 0.040 . 2 . . . . A 26 CYS HB3 . 30538 1 279 . 1 . 1 26 26 CYS C C 13 173.283 0.500 . 1 . . . . A 26 CYS C . 30538 1 280 . 1 . 1 26 26 CYS CA C 13 55.772 0.500 . 1 . . . . A 26 CYS CA . 30538 1 281 . 1 . 1 26 26 CYS CB C 13 40.126 0.500 . 1 . . . . A 26 CYS CB . 30538 1 282 . 1 . 1 26 26 CYS N N 15 125.679 0.500 . 1 . . . . A 26 CYS N . 30538 1 283 . 1 . 1 27 27 MET H H 1 8.891 0.040 . 1 . . . . A 27 MET H . 30538 1 284 . 1 . 1 27 27 MET HA H 1 4.717 0.040 . 1 . . . . A 27 MET HA . 30538 1 285 . 1 . 1 27 27 MET HB2 H 1 2.038 0.040 . 2 . . . . A 27 MET HB2 . 30538 1 286 . 1 . 1 27 27 MET HB3 H 1 1.794 0.040 . 2 . . . . A 27 MET HB3 . 30538 1 287 . 1 . 1 27 27 MET HG2 H 1 2.393 0.040 . 2 . . . . A 27 MET HG2 . 30538 1 288 . 1 . 1 27 27 MET HG3 H 1 2.393 0.040 . 2 . . . . A 27 MET HG3 . 30538 1 289 . 1 . 1 27 27 MET HE1 H 1 2.078 0.040 . 1 . . . . A 27 MET HE1 . 30538 1 290 . 1 . 1 27 27 MET HE2 H 1 2.078 0.040 . 1 . . . . A 27 MET HE2 . 30538 1 291 . 1 . 1 27 27 MET HE3 H 1 2.078 0.040 . 1 . . . . A 27 MET HE3 . 30538 1 292 . 1 . 1 27 27 MET C C 13 174.783 0.500 . 1 . . . . A 27 MET C . 30538 1 293 . 1 . 1 27 27 MET CA C 13 54.359 0.500 . 1 . . . . A 27 MET CA . 30538 1 294 . 1 . 1 27 27 MET CB C 13 34.480 0.500 . 1 . . . . A 27 MET CB . 30538 1 295 . 1 . 1 27 27 MET CG C 13 31.540 0.500 . 1 . . . . A 27 MET CG . 30538 1 296 . 1 . 1 27 27 MET CE C 13 16.940 0.500 . 1 . . . . A 27 MET CE . 30538 1 297 . 1 . 1 27 27 MET N N 15 130.422 0.500 . 1 . . . . A 27 MET N . 30538 1 298 . 1 . 1 28 28 ASN H H 1 9.396 0.040 . 1 . . . . A 28 ASN H . 30538 1 299 . 1 . 1 28 28 ASN HA H 1 4.302 0.040 . 1 . . . . A 28 ASN HA . 30538 1 300 . 1 . 1 28 28 ASN HB2 H 1 3.003 0.040 . 2 . . . . A 28 ASN HB2 . 30538 1 301 . 1 . 1 28 28 ASN HB3 H 1 2.716 0.040 . 2 . . . . A 28 ASN HB3 . 30538 1 302 . 1 . 1 28 28 ASN HD21 H 1 6.911 0.040 . 2 . . . . A 28 ASN HD21 . 30538 1 303 . 1 . 1 28 28 ASN HD22 H 1 7.618 0.040 . 2 . . . . A 28 ASN HD22 . 30538 1 304 . 1 . 1 28 28 ASN C C 13 175.483 0.500 . 1 . . . . A 28 ASN C . 30538 1 305 . 1 . 1 28 28 ASN CA C 13 54.253 0.500 . 1 . . . . A 28 ASN CA . 30538 1 306 . 1 . 1 28 28 ASN CB C 13 37.454 0.500 . 1 . . . . A 28 ASN CB . 30538 1 307 . 1 . 1 28 28 ASN N N 15 124.735 0.500 . 1 . . . . A 28 ASN N . 30538 1 308 . 1 . 1 28 28 ASN ND2 N 15 112.956 0.500 . 1 . . . . A 28 ASN ND2 . 30538 1 309 . 1 . 1 29 29 GLY H H 1 8.188 0.040 . 1 . . . . A 29 GLY H . 30538 1 310 . 1 . 1 29 29 GLY HA2 H 1 4.065 0.040 . 2 . . . . A 29 GLY HA2 . 30538 1 311 . 1 . 1 29 29 GLY HA3 H 1 4.065 0.040 . 2 . . . . A 29 GLY HA3 . 30538 1 312 . 1 . 1 29 29 GLY C C 13 174.909 0.500 . 1 . . . . A 29 GLY C . 30538 1 313 . 1 . 1 29 29 GLY CA C 13 45.821 0.500 . 1 . . . . A 29 GLY CA . 30538 1 314 . 1 . 1 29 29 GLY N N 15 102.702 0.500 . 1 . . . . A 29 GLY N . 30538 1 315 . 1 . 1 30 30 LYS H H 1 7.646 0.040 . 1 . . . . A 30 LYS H . 30538 1 316 . 1 . 1 30 30 LYS HA H 1 5.299 0.040 . 1 . . . . A 30 LYS HA . 30538 1 317 . 1 . 1 30 30 LYS HB2 H 1 1.647 0.040 . 2 . . . . A 30 LYS HB2 . 30538 1 318 . 1 . 1 30 30 LYS HB3 H 1 1.701 0.040 . 2 . . . . A 30 LYS HB3 . 30538 1 319 . 1 . 1 30 30 LYS HG2 H 1 1.350 0.040 . 2 . . . . A 30 LYS HG2 . 30538 1 320 . 1 . 1 30 30 LYS HG3 H 1 1.261 0.040 . 2 . . . . A 30 LYS HG3 . 30538 1 321 . 1 . 1 30 30 LYS C C 13 176.813 0.500 . 1 . . . . A 30 LYS C . 30538 1 322 . 1 . 1 30 30 LYS CA C 13 54.432 0.500 . 1 . . . . A 30 LYS CA . 30538 1 323 . 1 . 1 30 30 LYS CB C 13 36.143 0.500 . 1 . . . . A 30 LYS CB . 30538 1 324 . 1 . 1 30 30 LYS CG C 13 24.783 0.500 . 1 . . . . A 30 LYS CG . 30538 1 325 . 1 . 1 30 30 LYS N N 15 119.989 0.500 . 1 . . . . A 30 LYS N . 30538 1 326 . 1 . 1 31 31 CYS H H 1 8.897 0.040 . 1 . . . . A 31 CYS H . 30538 1 327 . 1 . 1 31 31 CYS HA H 1 4.699 0.040 . 1 . . . . A 31 CYS HA . 30538 1 328 . 1 . 1 31 31 CYS HB2 H 1 2.538 0.040 . 2 . . . . A 31 CYS HB2 . 30538 1 329 . 1 . 1 31 31 CYS HB3 H 1 2.757 0.040 . 2 . . . . A 31 CYS HB3 . 30538 1 330 . 1 . 1 31 31 CYS C C 13 174.926 0.500 . 1 . . . . A 31 CYS C . 30538 1 331 . 1 . 1 31 31 CYS CA C 13 56.077 0.500 . 1 . . . . A 31 CYS CA . 30538 1 332 . 1 . 1 31 31 CYS CB C 13 40.072 0.500 . 1 . . . . A 31 CYS CB . 30538 1 333 . 1 . 1 31 31 CYS N N 15 120.472 0.500 . 1 . . . . A 31 CYS N . 30538 1 334 . 1 . 1 32 32 LYS H H 1 8.986 0.040 . 1 . . . . A 32 LYS H . 30538 1 335 . 1 . 1 32 32 LYS HA H 1 4.460 0.040 . 1 . . . . A 32 LYS HA . 30538 1 336 . 1 . 1 32 32 LYS HB2 H 1 1.716 0.040 . 2 . . . . A 32 LYS HB2 . 30538 1 337 . 1 . 1 32 32 LYS HB3 H 1 1.614 0.040 . 2 . . . . A 32 LYS HB3 . 30538 1 338 . 1 . 1 32 32 LYS HG2 H 1 1.048 0.040 . 2 . . . . A 32 LYS HG2 . 30538 1 339 . 1 . 1 32 32 LYS HG3 H 1 0.865 0.040 . 2 . . . . A 32 LYS HG3 . 30538 1 340 . 1 . 1 32 32 LYS HD2 H 1 1.541 0.040 . 2 . . . . A 32 LYS HD2 . 30538 1 341 . 1 . 1 32 32 LYS HD3 H 1 1.541 0.040 . 2 . . . . A 32 LYS HD3 . 30538 1 342 . 1 . 1 32 32 LYS C C 13 174.266 0.500 . 1 . . . . A 32 LYS C . 30538 1 343 . 1 . 1 32 32 LYS CA C 13 54.337 0.500 . 1 . . . . A 32 LYS CA . 30538 1 344 . 1 . 1 32 32 LYS CB C 13 33.120 0.500 . 1 . . . . A 32 LYS CB . 30538 1 345 . 1 . 1 32 32 LYS CG C 13 24.435 0.500 . 1 . . . . A 32 LYS CG . 30538 1 346 . 1 . 1 32 32 LYS CD C 13 28.615 0.500 . 1 . . . . A 32 LYS CD . 30538 1 347 . 1 . 1 32 32 LYS N N 15 125.666 0.500 . 1 . . . . A 32 LYS N . 30538 1 348 . 1 . 1 33 33 CYS H H 1 8.837 0.040 . 1 . . . . A 33 CYS H . 30538 1 349 . 1 . 1 33 33 CYS HA H 1 4.766 0.040 . 1 . . . . A 33 CYS HA . 30538 1 350 . 1 . 1 33 33 CYS HB2 H 1 2.583 0.040 . 2 . . . . A 33 CYS HB2 . 30538 1 351 . 1 . 1 33 33 CYS HB3 H 1 3.488 0.040 . 2 . . . . A 33 CYS HB3 . 30538 1 352 . 1 . 1 33 33 CYS C C 13 175.477 0.500 . 1 . . . . A 33 CYS C . 30538 1 353 . 1 . 1 33 33 CYS CA C 13 51.704 0.500 . 1 . . . . A 33 CYS CA . 30538 1 354 . 1 . 1 33 33 CYS CB C 13 34.534 0.500 . 1 . . . . A 33 CYS CB . 30538 1 355 . 1 . 1 33 33 CYS N N 15 123.142 0.500 . 1 . . . . A 33 CYS N . 30538 1 356 . 1 . 1 34 34 TYR H H 1 8.109 0.040 . 1 . . . . A 34 TYR H . 30538 1 357 . 1 . 1 34 34 TYR HA H 1 4.486 0.040 . 1 . . . . A 34 TYR HA . 30538 1 358 . 1 . 1 34 34 TYR HB2 H 1 2.402 0.040 . 2 . . . . A 34 TYR HB2 . 30538 1 359 . 1 . 1 34 34 TYR HB3 H 1 3.159 0.040 . 2 . . . . A 34 TYR HB3 . 30538 1 360 . 1 . 1 34 34 TYR HD1 H 1 6.916 0.040 . 1 . . . . A 34 TYR HD1 . 30538 1 361 . 1 . 1 34 34 TYR HD2 H 1 6.916 0.040 . 1 . . . . A 34 TYR HD2 . 30538 1 362 . 1 . 1 34 34 TYR HE1 H 1 6.631 0.040 . 1 . . . . A 34 TYR HE1 . 30538 1 363 . 1 . 1 34 34 TYR HE2 H 1 6.631 0.040 . 1 . . . . A 34 TYR HE2 . 30538 1 364 . 1 . 1 34 34 TYR C C 13 176.743 0.500 . 1 . . . . A 34 TYR C . 30538 1 365 . 1 . 1 34 34 TYR CA C 13 58.816 0.500 . 1 . . . . A 34 TYR CA . 30538 1 366 . 1 . 1 34 34 TYR CB C 13 39.250 0.500 . 1 . . . . A 34 TYR CB . 30538 1 367 . 1 . 1 34 34 TYR CD1 C 13 131.963 0.500 . 3 . . . . A 34 TYR CD1 . 30538 1 368 . 1 . 1 34 34 TYR CE1 C 13 118.090 0.500 . 3 . . . . A 34 TYR CE1 . 30538 1 369 . 1 . 1 34 34 TYR N N 15 123.452 0.500 . 1 . . . . A 34 TYR N . 30538 1 370 . 1 . 1 35 35 GLY H H 1 9.161 0.040 . 1 . . . . A 35 GLY H . 30538 1 371 . 1 . 1 35 35 GLY HA2 H 1 3.650 0.040 . 2 . . . . A 35 GLY HA2 . 30538 1 372 . 1 . 1 35 35 GLY HA3 H 1 4.244 0.040 . 2 . . . . A 35 GLY HA3 . 30538 1 373 . 1 . 1 35 35 GLY C C 13 172.830 0.500 . 1 . . . . A 35 GLY C . 30538 1 374 . 1 . 1 35 35 GLY CA C 13 43.811 0.500 . 1 . . . . A 35 GLY CA . 30538 1 375 . 1 . 1 35 35 GLY N N 15 108.526 0.500 . 1 . . . . A 35 GLY N . 30538 1 376 . 1 . 1 36 36 CYS H H 1 8.630 0.040 . 1 . . . . A 36 CYS H . 30538 1 377 . 1 . 1 36 36 CYS HA H 1 4.556 0.040 . 1 . . . . A 36 CYS HA . 30538 1 378 . 1 . 1 36 36 CYS HB2 H 1 2.732 0.040 . 2 . . . . A 36 CYS HB2 . 30538 1 379 . 1 . 1 36 36 CYS HB3 H 1 3.142 0.040 . 2 . . . . A 36 CYS HB3 . 30538 1 380 . 1 . 1 36 36 CYS C C 13 174.852 0.500 . 1 . . . . A 36 CYS C . 30538 1 381 . 1 . 1 36 36 CYS CA C 13 54.520 0.500 . 1 . . . . A 36 CYS CA . 30538 1 382 . 1 . 1 36 36 CYS CB C 13 41.603 0.500 . 1 . . . . A 36 CYS CB . 30538 1 383 . 1 . 1 36 36 CYS N N 15 117.411 0.500 . 1 . . . . A 36 CYS N . 30538 1 384 . 1 . 1 37 37 VAL H H 1 7.607 0.040 . 1 . . . . A 37 VAL H . 30538 1 385 . 1 . 1 37 37 VAL HA H 1 4.030 0.040 . 1 . . . . A 37 VAL HA . 30538 1 386 . 1 . 1 37 37 VAL HB H 1 2.050 0.040 . 1 . . . . A 37 VAL HB . 30538 1 387 . 1 . 1 37 37 VAL HG11 H 1 0.818 0.040 . 2 . . . . A 37 VAL HG11 . 30538 1 388 . 1 . 1 37 37 VAL HG12 H 1 0.818 0.040 . 2 . . . . A 37 VAL HG12 . 30538 1 389 . 1 . 1 37 37 VAL HG13 H 1 0.818 0.040 . 2 . . . . A 37 VAL HG13 . 30538 1 390 . 1 . 1 37 37 VAL HG21 H 1 0.763 0.040 . 2 . . . . A 37 VAL HG21 . 30538 1 391 . 1 . 1 37 37 VAL HG22 H 1 0.763 0.040 . 2 . . . . A 37 VAL HG22 . 30538 1 392 . 1 . 1 37 37 VAL HG23 H 1 0.763 0.040 . 2 . . . . A 37 VAL HG23 . 30538 1 393 . 1 . 1 37 37 VAL CA C 13 63.326 0.500 . 1 . . . . A 37 VAL CA . 30538 1 394 . 1 . 1 37 37 VAL CB C 13 33.308 0.500 . 1 . . . . A 37 VAL CB . 30538 1 395 . 1 . 1 37 37 VAL CG1 C 13 21.491 0.500 . 2 . . . . A 37 VAL CG1 . 30538 1 396 . 1 . 1 37 37 VAL CG2 C 13 19.762 0.500 . 2 . . . . A 37 VAL CG2 . 30538 1 397 . 1 . 1 37 37 VAL N N 15 124.326 0.500 . 1 . . . . A 37 VAL N . 30538 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 30538 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; #Number of dimensions 3 #FORMAT xeasy3D #INAME 1 HN #INAME 2 N #INAME 3 H #SPECTRUM N15NOESY HN N H 1 8.526 125.709 2.465 1 T 4.127e+06 0.00e+00 a 0 0 0 0 0 2 7.444 116.195 4.394 1 T 7.017e+06 0.00e+00 a 0 0 0 0 0 3 9.043 113.816 3.920 1 T 2.614e+06 0.00e+00 a 0 0 0 0 0 4 8.148 114.422 3.263 1 T 1.044e+07 0.00e+00 a 0 0 0 0 0 5 7.444 116.195 2.899 1 T 7.922e+06 0.00e+00 a 0 0 0 0 0 6 8.017 115.193 2.900 1 T 2.490e+06 0.00e+00 a 0 0 0 0 0 7 8.526 125.683 2.797 1 T 5.663e+06 0.00e+00 a 0 0 0 0 0 8 7.154 115.928 4.026 1 T 5.226e+06 0.00e+00 a 0 0 0 0 0 9 8.909 124.099 4.131 1 T 3.045e+06 0.00e+00 a 0 0 0 0 0 10 8.896 130.416 2.055 1 T 1.579e+06 0.00e+00 a 0 0 0 0 0 11 8.497 120.584 3.392 1 T 1.382e+06 0.00e+00 a 0 0 0 0 0 13 8.497 120.584 4.452 1 T 1.983e+07 0.00e+00 a 0 0 0 0 0 14 9.160 108.533 3.675 1 T 9.032e+06 0.00e+00 a 0 0 0 0 0 15 9.043 113.816 3.777 1 T 2.573e+06 0.00e+00 a 0 0 0 0 0 18 8.889 130.398 1.822 1 T 2.718e+06 0.00e+00 a 0 0 0 0 0 19 8.497 120.622 5.142 1 T 3.724e+06 0.00e+00 a 0 0 0 0 0 20 9.399 124.745 3.014 1 T 4.166e+05 0.00e+00 a 0 0 0 0 0 21 8.265 115.858 1.957 1 T 2.610e+06 0.00e+00 a 0 0 0 0 0 22 8.528 125.694 4.774 1 T 2.273e+06 0.00e+00 a 0 0 0 0 0 25 8.113 123.423 4.482 1 T 6.896e+06 0.00e+00 a 0 0 0 0 0 26 8.735 128.607 1.585 1 T 7.253e+06 0.00e+00 a 0 0 0 0 0 27 8.466 119.291 1.234 1 T 7.347e+06 0.00e+00 a 0 0 0 0 0 28 8.264 115.858 1.708 1 T 7.066e+06 0.00e+00 a 0 0 0 0 0 29 7.535 110.380 4.293 1 T 3.887e+06 0.00e+00 a 0 0 0 0 0 30 8.630 117.433 4.564 1 T 5.250e+06 0.00e+00 a 0 0 0 0 0 31 8.156 121.682 1.993 1 T 2.078e+07 0.00e+00 a 0 0 0 0 0 32 8.016 115.260 4.797 1 T 1.848e+06 0.00e+00 a 0 0 0 0 0 33 8.156 121.645 3.979 1 T 8.174e+06 0.00e+00 a 0 0 0 0 0 34 8.735 128.580 1.986 1 T 7.230e+06 0.00e+00 a 0 0 0 0 0 35 8.149 114.422 3.175 1 T 9.158e+06 0.00e+00 a 0 0 0 0 0 36 8.188 102.737 4.068 1 T 1.757e+07 0.00e+00 a 0 0 0 0 0 37 7.597 114.548 4.220 1 T 8.426e+06 0.00e+00 a 0 0 0 0 0 38 7.596 114.543 2.227 1 T 2.329e+07 0.00e+00 a 0 0 0 0 0 39 8.836 123.120 2.596 1 T 6.195e+06 0.00e+00 a 0 0 0 0 0 40 8.148 114.500 4.655 1 T 1.862e+06 0.00e+00 a 0 0 0 0 0 41 7.535 110.380 3.928 1 T 5.718e+06 0.00e+00 a 0 0 0 0 0 42 8.895 120.494 2.549 1 T 4.041e+06 0.00e+00 a 0 0 0 0 0 43 8.539 116.415 4.302 1 T 2.112e+07 0.00e+00 a 0 0 0 0 0 44 8.501 120.018 3.822 1 T 3.340e+06 0.00e+00 a 0 0 0 0 0 45 8.479 115.004 2.909 1 T 1.002e+07 0.00e+00 a 0 0 0 0 0 46 7.293 122.062 4.557 1 T 5.393e+06 0.00e+00 a 0 0 0 0 0 47 8.630 117.396 2.738 1 T 1.026e+07 0.00e+00 a 0 0 0 0 0 48 8.895 120.494 2.774 1 T 8.826e+06 0.00e+00 a 0 0 0 0 0 49 8.016 115.237 3.162 1 T 1.459e+06 0.00e+00 a 0 0 0 0 0 50 8.401 111.216 3.752 1 T 7.072e+06 0.00e+00 a 0 0 0 0 0 51 8.504 119.988 2.084 1 T 5.308e+06 0.00e+00 a 0 0 0 0 0 52 7.648 119.983 5.296 1 T 4.589e+06 0.00e+00 a 0 0 0 0 0 53 8.265 115.858 4.628 1 T 3.101e+06 0.00e+00 a 0 0 0 0 0 54 8.406 105.419 4.869 1 T 3.331e+06 0.00e+00 a 0 0 0 0 0 55 8.113 123.429 3.152 1 T 4.910e+06 0.00e+00 a 0 0 0 0 0 56 8.735 128.584 3.710 1 T 4.121e+06 0.00e+00 a 0 0 0 0 0 57 8.837 123.140 3.491 1 T 2.868e+06 0.00e+00 a 0 0 0 0 0 58 8.606 120.463 2.477 1 T 8.335e+05 0.00e+00 a 0 0 0 0 0 59 8.896 120.464 4.727 1 T 2.212e+06 0.00e+00 a 0 0 0 0 0 60 8.986 125.669 4.480 1 T 3.742e+06 0.00e+00 a 0 0 0 0 0 61 8.466 119.255 2.263 1 T 2.699e+06 0.00e+00 a 0 0 0 0 0 62 8.400 111.216 3.972 1 T 3.945e+06 0.00e+00 a 0 0 0 0 0 63 9.043 113.810 4.562 1 T 3.270e+06 0.00e+00 a 0 0 0 0 0 64 7.445 116.195 3.033 1 T 1.229e+07 0.00e+00 a 0 0 0 0 0 65 7.154 115.935 2.188 1 T 1.663e+07 0.00e+00 a 0 0 0 0 0 66 8.156 121.682 1.906 1 T 2.205e+07 0.00e+00 a 0 0 0 0 0 67 8.835 123.089 4.798 1 T 1.209e+06 0.00e+00 a 0 0 0 0 0 68 8.113 123.449 2.416 1 T 8.947e+06 0.00e+00 a 0 0 0 0 0 70 8.396 127.077 1.765 1 T 1.248e+07 0.00e+00 a 0 0 0 0 0 71 8.404 105.469 4.540 1 T 1.379e+06 0.00e+00 a 0 0 0 0 0 72 8.396 127.217 4.654 1 T 2.153e+06 0.00e+00 a 0 0 0 0 0 73 7.647 119.995 1.702 1 T 9.360e+06 0.00e+00 a 0 0 0 0 0 74 8.908 124.079 1.524 1 T 1.118e+07 0.00e+00 a 0 0 0 0 0 75 8.895 130.421 4.719 1 T 5.828e+06 0.00e+00 a 0 0 0 0 0 76 8.478 114.999 3.440 1 T 4.823e+06 0.00e+00 a 0 0 0 0 0 77 8.630 117.397 3.137 1 T 4.248e+06 0.00e+00 a 0 0 0 0 0 78 9.162 108.509 4.245 1 T 4.948e+06 0.00e+00 a 0 0 0 0 0 80 8.541 116.453 4.540 1 T 4.137e+06 0.00e+00 a 0 0 0 0 0 81 8.480 115.084 4.752 1 T 2.203e+06 0.00e+00 a 0 0 0 0 0 82 8.503 120.018 4.997 1 T 3.298e+06 0.00e+00 a 0 0 0 0 0 83 9.399 124.730 4.309 1 T 4.827e+06 0.00e+00 a 0 0 0 0 0 84 8.909 124.019 1.130 1 T 2.315e+06 0.00e+00 a 0 0 0 0 0 85 8.909 124.096 0.803 1 T 2.694e+06 0.00e+00 a 0 0 0 0 0 86 8.909 124.070 2.468 1 T 4.428e+06 0.00e+00 a 0 0 0 0 0 87 8.909 124.061 4.651 1 T 7.990e+06 0.00e+00 a 0 0 0 0 0 88 8.606 120.439 3.786 1 T 1.310e+06 0.00e+00 a 0 0 0 0 0 89 8.908 124.128 2.759 1 T 5.999e+05 0.00e+00 a 0 0 0 0 0 91 8.397 127.158 0.844 1 T 5.815e+06 0.00e+00 a 0 0 0 0 0 92 8.396 127.077 1.549 1 T 5.386e+06 0.00e+00 a 0 0 0 0 0 93 8.397 127.077 1.379 1 T 5.524e+06 0.00e+00 a 0 0 0 0 0 94 8.397 127.179 4.130 1 T 2.207e+07 0.00e+00 a 0 0 0 0 0 95 8.017 115.284 1.763 1 T 7.817e+06 0.00e+00 a 0 0 0 0 0 96 8.018 115.175 1.371 1 T 2.048e+06 0.00e+00 a 0 0 0 0 0 97 8.016 115.234 2.210 1 T 5.669e+05 0.00e+00 a 0 0 0 0 0 98 9.044 113.774 2.907 1 T 2.112e+06 0.00e+00 a 0 0 0 0 0 99 9.043 113.819 3.135 1 T 3.542e+06 0.00e+00 a 0 0 0 0 0 100 7.535 110.402 2.865 1 T 1.676e+06 0.00e+00 a 0 0 0 0 0 101 7.536 110.357 3.140 1 T 4.941e+06 0.00e+00 a 0 0 0 0 0 102 9.043 113.792 2.157 1 T 2.313e+06 0.00e+00 a 0 0 0 0 0 103 7.536 110.406 2.164 1 T 2.239e+06 0.00e+00 a 0 0 0 0 0 104 8.017 115.261 4.086 1 T 3.418e+06 0.00e+00 a 0 0 0 0 0 105 8.016 115.237 5.293 1 T 4.447e+06 0.00e+00 a 0 0 0 0 0 106 8.016 115.260 4.651 1 T 1.250e+07 0.00e+00 a 0 0 0 0 0 107 8.016 115.260 4.564 1 T 3.907e+06 0.00e+00 a 0 0 0 0 0 108 9.043 113.825 4.799 1 T 5.281e+06 0.00e+00 a 0 0 0 0 0 109 7.536 110.440 4.809 1 T 1.400e+06 0.00e+00 a 0 0 0 0 0 110 7.535 110.363 4.586 1 T 1.454e+06 0.00e+00 a 0 0 0 0 0 111 9.043 113.829 7.533 1 T 9.720e+06 0.00e+00 a 0 0 0 0 0 112 7.535 110.386 3.916 1 T 5.718e+06 0.00e+00 a 0 0 0 0 0 113 7.535 110.386 3.779 1 T 1.202e+06 0.00e+00 a 0 0 0 0 0 114 7.536 110.365 9.040 1 T 1.074e+07 0.00e+00 a 0 0 0 0 0 115 8.852 120.614 4.238 1 T 1.347e+06 0.00e+00 a 0 0 0 0 0 116 8.852 120.646 4.034 1 T 1.005e+06 0.00e+00 a 0 0 0 0 0 117 8.466 119.291 7.138 1 T 2.141e+06 0.00e+00 a 0 0 0 0 0 118 8.466 119.369 4.087 1 T 1.664e+06 0.00e+00 a 0 0 0 0 0 119 8.469 119.319 2.594 1 T 7.291e+05 0.00e+00 a 0 0 0 0 0 120 8.466 119.291 0.963 1 T 2.415e+06 0.00e+00 a 0 0 0 0 0 121 7.153 116.066 0.917 1 T 1.110e+06 0.00e+00 a 0 0 0 0 0 122 7.153 115.944 1.216 1 T 3.477e+06 0.00e+00 a 0 0 0 0 0 123 7.154 115.953 2.403 1 T 3.653e+06 0.00e+00 a 0 0 0 0 0 125 7.154 115.925 3.559 1 T 1.110e+06 0.00e+00 a 0 0 0 0 0 126 7.154 115.884 8.457 1 T 3.329e+06 0.00e+00 a 0 0 0 0 0 127 7.154 115.910 8.134 1 T 5.962e+06 0.00e+00 a 0 0 0 0 0 128 8.148 114.461 7.225 1 T 1.125e+07 0.00e+00 a 0 0 0 0 0 130 8.149 114.530 1.234 1 T 9.686e+05 0.00e+00 a 0 0 0 0 0 131 8.148 114.459 2.203 1 T 4.168e+06 0.00e+00 a 0 0 0 0 0 132 8.149 114.422 2.394 1 T 1.498e+06 0.00e+00 a 0 0 0 0 0 133 8.149 114.463 3.573 1 T 1.621e+06 0.00e+00 a 0 0 0 0 0 134 8.148 114.449 4.043 1 T 2.256e+06 0.00e+00 a 0 0 0 0 0 135 7.293 122.064 8.144 1 T 9.792e+06 0.00e+00 a 0 0 0 0 0 136 7.294 122.094 9.084 1 T 4.502e+06 0.00e+00 a 0 0 0 0 0 137 7.294 122.037 3.685 1 T 2.259e+06 0.00e+00 a 0 0 0 0 0 138 7.293 122.093 4.020 1 T 1.037e+06 0.00e+00 a 0 0 0 0 0 139 7.293 121.951 2.245 1 T 2.562e+06 0.00e+00 a 0 0 0 0 0 140 7.294 122.141 1.274 1 T 1.180e+06 0.00e+00 a 0 0 0 0 0 141 7.292 122.179 1.048 1 T 7.306e+05 0.00e+00 a 0 0 0 0 0 142 9.083 105.057 2.248 1 T 9.583e+05 0.00e+00 a 0 0 0 0 0 143 9.084 105.111 3.146 1 T 3.556e+06 0.00e+00 a 0 0 0 0 0 144 9.083 105.111 3.317 1 T 6.527e+06 0.00e+00 a 0 0 0 0 0 145 9.082 105.083 3.678 1 T 8.429e+06 0.00e+00 a 0 0 0 0 0 146 9.081 105.081 4.024 1 T 1.356e+07 0.00e+00 a 0 0 0 0 0 147 9.082 105.057 4.552 1 T 1.303e+06 0.00e+00 a 0 0 0 0 0 148 9.081 105.084 7.281 1 T 2.323e+06 0.00e+00 a 0 0 0 0 0 149 8.479 115.004 1.837 1 T 6.118e+06 0.00e+00 a 0 0 0 0 0 150 8.479 115.009 0.799 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 151 8.479 114.903 1.511 1 T 7.751e+05 0.00e+00 a 0 0 0 0 0 152 8.481 115.096 2.236 1 T 2.096e+06 0.00e+00 a 0 0 0 0 0 153 8.479 115.084 2.441 1 T 1.789e+06 0.00e+00 a 0 0 0 0 0 154 8.479 115.050 3.715 1 T 4.053e+06 0.00e+00 a 0 0 0 0 0 155 8.479 115.074 3.975 1 T 1.030e+06 0.00e+00 a 0 0 0 0 0 156 8.478 115.088 4.253 1 T 1.213e+06 0.00e+00 a 0 0 0 0 0 157 8.479 115.084 4.570 1 T 2.049e+06 0.00e+00 a 0 0 0 0 0 158 8.733 128.569 1.203 1 T 1.457e+06 0.00e+00 a 0 0 0 0 0 159 8.735 128.569 0.956 1 T 1.567e+06 0.00e+00 a 0 0 0 0 0 160 8.735 128.633 2.916 1 T 2.203e+06 0.00e+00 a 0 0 0 0 0 161 8.736 128.505 3.423 1 T 1.279e+06 0.00e+00 a 0 0 0 0 0 162 8.736 128.620 3.975 1 T 2.500e+06 0.00e+00 a 0 0 0 0 0 163 8.735 128.569 4.673 1 T 7.260e+05 0.00e+00 a 0 0 0 0 0 164 8.735 128.604 8.158 1 T 4.087e+06 0.00e+00 a 0 0 0 0 0 165 8.156 121.662 7.600 1 T 7.927e+06 0.00e+00 a 0 0 0 0 0 166 8.156 121.666 8.719 1 T 6.780e+06 0.00e+00 a 0 0 0 0 0 167 7.596 114.544 8.135 1 T 8.818e+06 0.00e+00 a 0 0 0 0 0 168 7.597 114.538 8.411 1 T 1.027e+07 0.00e+00 a 0 0 0 0 0 169 8.156 121.680 3.690 1 T 2.177e+06 0.00e+00 a 0 0 0 0 0 170 8.156 121.686 4.272 1 T 3.346e+06 0.00e+00 a 0 0 0 0 0 171 8.158 121.567 2.927 1 T 7.828e+05 0.00e+00 a 0 0 0 0 0 172 8.157 121.776 0.949 1 T 8.843e+05 0.00e+00 a 0 0 0 0 0 173 8.156 121.653 1.536 1 T 5.439e+06 0.00e+00 a 0 0 0 0 0 174 8.157 121.600 1.189 1 T 1.265e+06 0.00e+00 a 0 0 0 0 0 175 8.158 121.591 2.273 1 T 1.291e+06 0.00e+00 a 0 0 0 0 0 176 8.156 121.682 2.062 1 T 1.339e+07 0.00e+00 a 0 0 0 0 0 177 7.598 114.553 1.466 1 T 1.292e+06 0.00e+00 a 0 0 0 0 0 178 7.597 114.563 1.200 1 T 2.270e+06 0.00e+00 a 0 0 0 0 0 179 7.597 114.542 1.939 1 T 9.936e+06 0.00e+00 a 0 0 0 0 0 180 7.596 114.540 2.532 1 T 4.420e+06 0.00e+00 a 0 0 0 0 0 181 7.596 114.554 3.955 1 T 2.586e+06 0.00e+00 a 0 0 0 0 0 182 7.597 114.533 4.809 1 T 1.977e+06 0.00e+00 a 0 0 0 0 0 183 8.404 105.443 2.222 1 T 6.523e+06 0.00e+00 a 0 0 0 0 0 184 8.404 105.526 3.722 1 T 2.276e+06 0.00e+00 a 0 0 0 0 0 185 8.404 105.465 4.275 1 T 3.501e+06 0.00e+00 a 0 0 0 0 0 186 8.404 105.436 4.003 1 T 1.227e+06 0.00e+00 a 0 0 0 0 0 187 8.404 105.459 1.214 1 T 7.913e+06 0.00e+00 a 0 0 0 0 0 188 8.407 105.396 2.535 1 T 8.748e+05 0.00e+00 a 0 0 0 0 0 189 8.540 116.439 2.198 1 T 1.429e+06 0.00e+00 a 0 0 0 0 0 190 8.539 116.454 1.561 1 T 1.402e+06 0.00e+00 a 0 0 0 0 0 191 8.539 116.410 1.223 1 T 8.623e+06 0.00e+00 a 0 0 0 0 0 192 8.540 116.397 0.915 1 T 1.086e+06 0.00e+00 a 0 0 0 0 0 193 8.539 116.417 3.727 1 T 4.927e+06 0.00e+00 a 0 0 0 0 0 194 8.540 116.399 3.988 1 T 1.843e+06 0.00e+00 a 0 0 0 0 0 195 8.540 116.420 4.867 1 T 2.353e+06 0.00e+00 a 0 0 0 0 0 196 8.404 105.463 7.596 1 T 6.853e+06 0.00e+00 a 0 0 0 0 0 197 8.539 116.414 7.579 1 T 1.571e+06 0.00e+00 a 0 0 0 0 0 198 8.502 120.154 0.949 1 T 8.957e+05 0.00e+00 a 0 0 0 0 0 199 8.503 120.025 1.577 1 T 8.005e+05 0.00e+00 a 0 0 0 0 0 200 8.503 120.000 1.218 1 T 2.375e+06 0.00e+00 a 0 0 0 0 0 201 8.399 111.204 1.568 1 T 1.030e+06 0.00e+00 a 0 0 0 0 0 202 8.399 111.197 1.039 1 T 1.039e+07 0.00e+00 a 0 0 0 0 0 203 8.399 111.156 2.084 1 T 2.626e+06 0.00e+00 a 0 0 0 0 0 204 8.397 111.133 2.983 1 T 1.006e+06 0.00e+00 a 0 0 0 0 0 205 8.399 111.190 4.970 1 T 1.782e+07 0.00e+00 a 0 0 0 0 0 206 8.504 120.037 4.003 1 T 2.720e+06 0.00e+00 a 0 0 0 0 0 207 8.502 120.029 4.584 1 T 3.302e+06 0.00e+00 a 0 0 0 0 0 208 8.503 120.018 4.257 1 T 1.810e+06 0.00e+00 a 0 0 0 0 0 209 8.503 120.018 4.880 1 T 2.333e+06 0.00e+00 a 0 0 0 0 0 210 8.502 120.018 3.749 1 T 7.995e+06 0.00e+00 a 0 0 0 0 0 211 8.502 120.018 3.678 1 T 5.683e+06 0.00e+00 a 0 0 0 0 0 212 8.399 111.185 7.440 1 T 6.906e+06 0.00e+00 a 0 0 0 0 0 213 7.444 116.194 8.408 1 T 9.195e+06 0.00e+00 a 0 0 0 0 0 214 8.496 120.573 7.473 1 T 1.087e+06 0.00e+00 a 0 0 0 0 0 215 8.497 120.565 6.959 1 T 2.160e+06 0.00e+00 a 0 0 0 0 0 216 8.264 115.794 8.994 1 T 3.786e+06 0.00e+00 a 0 0 0 0 0 217 7.444 116.154 4.975 1 T 1.622e+06 0.00e+00 a 0 0 0 0 0 218 7.445 116.201 3.747 1 T 6.723e+06 0.00e+00 a 0 0 0 0 0 219 7.445 116.201 3.961 1 T 2.347e+06 0.00e+00 a 0 0 0 0 0 221 8.497 120.563 4.192 1 T 6.327e+06 0.00e+00 a 0 0 0 0 0 222 8.498 120.563 3.033 1 T 1.667e+06 0.00e+00 a 0 0 0 0 0 223 8.498 120.563 2.902 1 T 2.426e+06 0.00e+00 a 0 0 0 0 0 224 7.445 116.134 1.034 1 T 1.110e+06 0.00e+00 a 0 0 0 0 0 225 7.444 116.248 2.096 1 T 2.592e+06 0.00e+00 a 0 0 0 0 0 226 8.497 120.584 1.306 1 T 9.535e+05 0.00e+00 a 0 0 0 0 0 227 8.266 115.856 6.908 1 T 9.968e+05 0.00e+00 a 0 0 0 0 0 228 8.264 115.809 6.628 1 T 1.203e+06 0.00e+00 a 0 0 0 0 0 229 8.264 115.858 4.774 1 T 2.606e+06 0.00e+00 a 0 0 0 0 0 230 8.264 115.825 5.128 1 T 1.283e+07 0.00e+00 a 0 0 0 0 0 231 8.264 115.839 4.454 1 T 4.341e+06 0.00e+00 a 0 0 0 0 0 232 8.265 115.858 4.353 1 T 3.658e+06 0.00e+00 a 0 0 0 0 0 233 8.264 115.838 3.379 1 T 8.808e+06 0.00e+00 a 0 0 0 0 0 234 8.266 115.922 2.500 1 T 7.436e+05 0.00e+00 a 0 0 0 0 0 235 8.264 115.842 1.331 1 T 1.332e+06 0.00e+00 a 0 0 0 0 0 236 8.526 125.687 3.554 1 T 3.557e+06 0.00e+00 a 0 0 0 0 0 237 8.526 125.674 4.629 1 T 1.019e+07 0.00e+00 a 0 0 0 0 0 238 8.526 125.673 1.309 1 T 4.299e+06 0.00e+00 a 0 0 0 0 0 239 8.527 125.694 1.440 1 T 2.062e+06 0.00e+00 a 0 0 0 0 0 240 8.526 125.708 1.738 1 T 1.612e+06 0.00e+00 a 0 0 0 0 0 241 8.525 125.694 1.944 1 T 1.450e+06 0.00e+00 a 0 0 0 0 0 242 8.895 130.434 7.663 1 T 2.095e+06 0.00e+00 a 0 0 0 0 0 243 8.894 130.421 4.614 1 T 1.572e+06 0.00e+00 a 0 0 0 0 0 244 8.895 130.429 2.792 1 T 8.052e+05 0.00e+00 a 0 0 0 0 0 245 8.893 130.421 1.731 1 T 2.522e+06 0.00e+00 a 0 0 0 0 0 246 8.894 130.446 2.461 1 T 1.816e+06 0.00e+00 a 0 0 0 0 0 247 9.397 124.759 4.689 1 T 2.087e+06 0.00e+00 a 0 0 0 0 0 248 8.895 130.421 4.809 1 T 5.642e+06 0.00e+00 a 0 0 0 0 0 249 9.399 124.745 2.414 1 T 5.539e+05 0.00e+00 a 0 0 0 0 0 250 9.398 124.683 8.188 1 T 7.396e+05 0.00e+00 a 0 0 0 0 0 251 8.188 102.737 7.643 1 T 4.160e+06 0.00e+00 a 0 0 0 0 0 252 8.188 102.792 9.373 1 T 2.305e+06 0.00e+00 a 0 0 0 0 0 253 8.188 102.734 4.325 1 T 5.400e+06 0.00e+00 a 0 0 0 0 0 254 8.191 102.722 3.049 1 T 8.169e+05 0.00e+00 a 0 0 0 0 0 255 8.186 102.538 2.028 1 T 7.159e+05 0.00e+00 a 0 0 0 0 0 256 7.648 119.995 1.345 1 T 3.314e+06 0.00e+00 a 0 0 0 0 0 257 7.647 120.023 2.737 1 T 1.132e+06 0.00e+00 a 0 0 0 0 0 258 7.650 119.966 3.002 1 T 8.186e+05 0.00e+00 a 0 0 0 0 0 259 7.648 120.010 4.068 1 T 5.312e+06 0.00e+00 a 0 0 0 0 0 260 7.648 119.988 4.735 1 T 8.906e+05 0.00e+00 a 0 0 0 0 0 261 8.898 120.481 5.294 1 T 1.930e+07 0.00e+00 a 0 0 0 0 0 262 7.648 119.995 8.888 1 T 5.216e+06 0.00e+00 a 0 0 0 0 0 263 7.648 119.984 8.186 1 T 4.835e+06 0.00e+00 a 0 0 0 0 0 264 8.898 120.394 7.953 1 T 8.105e+05 0.00e+00 a 0 0 0 0 0 265 8.899 120.464 4.601 1 T 2.054e+06 0.00e+00 a 0 0 0 0 0 266 8.902 120.464 1.639 1 T 8.041e+06 0.00e+00 a 0 0 0 0 0 267 8.899 120.464 1.304 1 T 1.156e+06 0.00e+00 a 0 0 0 0 0 268 8.898 120.404 0.830 1 T 1.792e+06 0.00e+00 a 0 0 0 0 0 269 8.987 125.680 2.537 1 T 2.157e+06 0.00e+00 a 0 0 0 0 0 270 8.986 125.666 2.783 1 T 1.057e+06 0.00e+00 a 0 0 0 0 0 271 8.987 125.669 4.738 1 T 5.451e+06 0.00e+00 a 0 0 0 0 0 272 8.987 125.669 4.606 1 T 4.289e+06 0.00e+00 a 0 0 0 0 0 273 8.986 125.669 8.249 1 T 2.664e+06 0.00e+00 a 0 0 0 0 0 274 8.838 123.138 4.471 1 T 1.772e+07 0.00e+00 a 0 0 0 0 0 275 8.837 123.153 0.886 1 T 1.324e+06 0.00e+00 a 0 0 0 0 0 276 8.837 123.124 1.570 1 T 3.204e+06 0.00e+00 a 0 0 0 0 0 277 8.838 123.141 1.676 1 T 2.180e+06 0.00e+00 a 0 0 0 0 0 278 8.112 123.432 3.472 1 T 3.501e+06 0.00e+00 a 0 0 0 0 0 279 8.113 123.466 2.947 1 T 1.241e+06 0.00e+00 a 0 0 0 0 0 280 8.113 123.444 4.793 1 T 8.034e+06 0.00e+00 a 0 0 0 0 0 281 8.112 123.425 5.125 1 T 5.499e+06 0.00e+00 a 0 0 0 0 0 282 8.112 123.374 6.929 1 T 3.102e+06 0.00e+00 a 0 0 0 0 0 283 8.113 123.451 9.155 1 T 8.435e+06 0.00e+00 a 0 0 0 0 0 284 9.162 108.512 8.119 1 T 4.884e+06 0.00e+00 a 0 0 0 0 0 285 9.162 108.492 8.614 1 T 1.020e+06 0.00e+00 a 0 0 0 0 0 286 8.631 117.346 7.621 1 T 2.014e+06 0.00e+00 a 0 0 0 0 0 287 7.609 124.415 8.606 1 T 2.620e+06 0.00e+00 a 0 0 0 0 0 288 8.629 117.421 9.169 1 T 1.417e+06 0.00e+00 a 0 0 0 0 0 289 8.633 117.271 7.228 1 T 6.256e+05 0.00e+00 a 0 0 0 0 0 290 9.161 108.475 3.137 1 T 1.017e+06 0.00e+00 a 0 0 0 0 0 291 9.163 108.419 2.950 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0 292 9.162 108.420 2.456 1 T 1.462e+06 0.00e+00 a 0 0 0 0 0 293 9.162 108.527 4.515 1 T 2.081e+06 0.00e+00 a 0 0 0 0 0 294 9.162 108.458 1.197 1 T 2.389e+06 0.00e+00 a 0 0 0 0 0 295 8.633 117.493 0.871 1 T 6.825e+05 0.00e+00 a 0 0 0 0 0 296 8.629 117.424 1.187 1 T 9.653e+05 0.00e+00 a 0 0 0 0 0 297 8.630 117.473 2.063 1 T 8.337e+05 0.00e+00 a 0 0 0 0 0 298 7.609 124.336 0.776 1 T 4.328e+06 0.00e+00 a 0 0 0 0 0 299 7.609 124.352 2.036 1 T 3.003e+06 0.00e+00 a 0 0 0 0 0 300 7.609 124.248 2.746 1 T 1.139e+06 0.00e+00 a 0 0 0 0 0 301 7.608 124.342 3.156 1 T 2.065e+06 0.00e+00 a 0 0 0 0 0 302 8.630 117.398 3.668 1 T 9.439e+06 0.00e+00 a 0 0 0 0 0 303 8.630 117.402 4.245 1 T 1.243e+07 0.00e+00 a 0 0 0 0 0 304 7.609 124.332 4.037 1 T 4.549e+06 0.00e+00 a 0 0 0 0 0 305 7.608 124.332 3.719 1 T 9.127e+05 0.00e+00 a 0 0 0 0 0 306 7.609 124.337 4.567 1 T 7.568e+06 0.00e+00 a 0 0 0 0 0 307 8.397 127.077 1.700 1 T 1.274e+07 0.00e+00 a 0 0 0 0 0 308 8.017 115.284 1.701 1 T 7.817e+06 0.00e+00 a 0 0 0 0 0 309 8.466 119.291 1.179 1 T 6.235e+06 0.00e+00 a 0 0 0 0 0 310 8.466 119.291 0.854 1 T 1.983e+06 0.00e+00 a 0 0 0 0 0 311 8.397 127.077 0.957 1 T 1.759e+06 0.00e+00 a 0 0 0 0 0 312 7.532 112.244 6.868 1 T 5.198e+07 0.00e+00 a 0 0 0 0 0 313 7.532 111.954 3.977 1 T 6.501e+05 0.00e+00 a 0 0 0 0 0 314 7.532 112.238 2.420 1 T 3.592e+06 0.00e+00 a 0 0 0 0 0 315 7.532 112.238 2.167 1 T 8.323e+05 0.00e+00 a 0 0 0 0 0 316 7.532 112.238 2.277 1 T 1.023e+06 0.00e+00 a 0 0 0 0 0 317 6.872 112.230 2.423 1 T 2.097e+06 0.00e+00 a 0 0 0 0 0 318 6.873 112.302 2.163 1 T 5.164e+05 0.00e+00 a 0 0 0 0 0 319 6.872 112.259 7.531 1 T 4.828e+07 0.00e+00 a 0 0 0 0 0 320 6.873 112.193 9.045 1 T 8.015e+05 0.00e+00 a 0 0 0 0 0 321 9.857 127.622 7.035 1 T 8.352e+06 0.00e+00 a 0 0 0 0 0 322 9.856 127.641 7.408 1 T 4.387e+06 0.00e+00 a 0 0 0 0 0 323 9.858 127.626 2.273 1 T 9.407e+05 0.00e+00 a 0 0 0 0 0 324 9.857 127.649 4.501 1 T 6.447e+05 0.00e+00 a 0 0 0 0 0 325 9.857 127.623 1.300 1 T 7.270e+06 0.00e+00 a 0 0 0 0 0 326 9.858 127.580 4.142 1 T 9.086e+05 0.00e+00 a 0 0 0 0 0 327 9.858 127.591 3.627 1 T 5.688e+05 0.00e+00 a 0 0 0 0 0 328 9.081 105.081 3.911 1 T 7.308e+06 0.00e+00 a 0 0 0 0 0 329 8.540 116.453 4.627 1 T 2.470e+06 0.00e+00 a 0 0 0 0 0 330 7.713 113.701 6.976 1 T 4.762e+07 0.00e+00 a 0 0 0 0 0 331 7.712 113.655 4.544 1 T 8.190e+05 0.00e+00 a 0 0 0 0 0 332 6.977 113.744 4.564 1 T 4.484e+05 0.00e+00 a 0 0 0 0 0 333 7.713 113.732 2.910 1 T 5.172e+06 0.00e+00 a 0 0 0 0 0 334 7.714 113.665 2.416 1 T 9.097e+05 0.00e+00 a 0 0 0 0 0 335 7.713 113.732 3.030 1 T 2.313e+06 0.00e+00 a 0 0 0 0 0 336 6.980 113.704 7.715 1 T 3.787e+07 0.00e+00 a 0 0 0 0 0 337 6.978 113.744 2.910 1 T 1.813e+06 0.00e+00 a 0 0 0 0 0 338 6.977 113.744 3.030 1 T 1.209e+06 0.00e+00 a 0 0 0 0 0 339 7.713 113.613 0.790 1 T 7.150e+05 0.00e+00 a 0 0 0 0 0 340 6.977 113.744 2.424 1 T 5.520e+05 0.00e+00 a 0 0 0 0 0 341 7.714 113.732 3.144 1 T 1.329e+06 0.00e+00 a 0 0 0 0 0 342 6.978 113.744 3.137 1 T 6.083e+05 0.00e+00 a 0 0 0 0 0 343 8.498 120.563 4.347 1 T 1.543e+07 0.00e+00 a 0 0 0 0 0 344 7.618 112.936 2.701 1 T 1.860e+06 0.00e+00 a 0 0 0 0 0 345 6.913 112.886 7.620 1 T 4.919e+07 0.00e+00 a 0 0 0 0 0 346 7.618 112.874 6.911 1 T 5.734e+07 0.00e+00 a 0 0 0 0 0 347 7.648 119.995 1.263 1 T 3.185e+06 0.00e+00 a 0 0 0 0 0 348 7.648 119.995 1.644 1 T 9.344e+06 0.00e+00 a 0 0 0 0 0 349 8.899 120.464 1.538 1 T 6.637e+06 0.00e+00 a 0 0 0 0 0 350 8.902 120.464 1.695 1 T 4.940e+06 0.00e+00 a 0 0 0 0 0 351 8.985 125.669 1.542 1 T 3.878e+06 0.00e+00 a 0 0 0 0 0 352 8.986 125.669 1.619 1 T 6.364e+06 0.00e+00 a 0 0 0 0 0 353 8.986 125.669 1.724 1 T 7.401e+06 0.00e+00 a 0 0 0 0 0 354 8.986 125.669 0.865 1 T 5.901e+05 0.00e+00 a 0 0 0 0 0 355 8.987 125.523 3.360 1 T 5.399e+05 0.00e+00 a 0 0 0 0 0 356 7.342 110.600 1.225 1 T 5.707e+05 0.00e+00 a 0 0 0 0 0 357 6.693 110.600 1.242 1 T 4.553e+05 0.00e+00 a 0 0 0 0 0 358 6.693 110.600 2.536 1 T 5.932e+05 0.00e+00 a 0 0 0 0 0 359 7.342 110.600 2.528 1 T 6.585e+05 0.00e+00 a 0 0 0 0 0 360 7.342 110.600 6.699 1 T 5.491e+07 0.00e+00 a 0 0 0 0 0 361 6.693 110.600 7.346 1 T 5.232e+07 0.00e+00 a 0 0 0 0 0 362 7.598 114.548 4.761 1 T 1.772e+06 0.00e+00 a 0 0 0 0 0 363 7.600 114.548 2.054 1 T 3.468e+06 0.00e+00 a 0 0 0 0 0 364 7.597 114.548 1.892 1 T 6.972e+06 0.00e+00 a 0 0 0 0 0 366 8.735 128.575 8.433 1 T 4.434e+06 0.00e+00 a 0 0 0 0 0 367 8.155 121.682 1.650 1 T 2.192e+06 0.00e+00 a 0 0 0 0 0 368 8.157 121.682 1.411 1 T 1.752e+06 0.00e+00 a 0 0 0 0 0 369 6.870 112.280 4.022 1 T 4.770e+05 0.00e+00 a 0 0 0 0 0 370 7.531 112.274 4.028 1 T 4.509e+05 0.00e+00 a 0 0 0 0 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 . . 13.886 ppm . . . 4.708 . . 30538 1 2 . . N 15 N . . 32 ppm . . . 116 . . 30538 1 3 . . H 1 H . . 13.886 ppm . . . 4.70 . . 30538 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30538 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; #Number of dimensions 3 #FORMAT xeasy3D #INAME 1 HC #INAME 2 C #INAME 3 H #SPECTRUM C13NOESY HC C H 1 7.590 120.827 3.139 1 T 3.051e+06 0.00e+00 a 0 0 0 0 0 2 7.592 120.827 3.305 1 T 3.510e+06 0.00e+00 a 0 0 0 0 0 3 7.590 120.827 1.061 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0 4 7.031 125.066 3.133 1 T 7.179e+06 0.00e+00 a 0 0 0 0 0 5 7.032 125.066 3.300 1 T 5.292e+06 0.00e+00 a 0 0 0 0 0 6 7.031 124.956 3.747 1 T 6.409e+06 0.00e+00 a 0 0 0 0 0 7 7.031 124.975 4.221 1 T 9.819e+06 0.00e+00 a 0 0 0 0 0 8 7.031 124.961 4.529 1 T 2.372e+07 0.00e+00 a 0 0 0 0 0 9 7.031 124.910 1.308 1 T 6.662e+06 0.00e+00 a 0 0 0 0 0 10 7.031 124.923 1.044 1 T 2.030e+06 0.00e+00 a 0 0 0 0 0 11 7.031 125.025 9.859 1 T 2.514e+07 0.00e+00 a 0 0 0 0 0 12 7.031 125.156 8.452 1 T 1.951e+06 0.00e+00 a 0 0 0 0 0 13 7.031 124.986 8.192 1 T 2.719e+06 0.00e+00 a 0 0 0 0 0 14 7.030 125.035 2.240 1 T 3.307e+06 0.00e+00 a 0 0 0 0 0 15 7.420 114.259 9.855 1 T 4.902e+06 0.00e+00 a 0 0 0 0 0 16 7.417 114.259 1.291 1 T 1.266e+06 0.00e+00 a 0 0 0 0 0 17 7.191 124.775 7.418 1 T 1.402e+07 0.00e+00 a 0 0 0 0 0 18 7.419 114.259 7.188 1 T 2.293e+07 0.00e+00 a 0 0 0 0 0 19 7.191 124.775 1.185 1 T 8.540e+05 0.00e+00 a 0 0 0 0 0 20 7.191 124.775 7.483 1 T 7.989e+06 0.00e+00 a 0 0 0 0 0 21 7.119 122.155 7.591 1 T 3.733e+06 0.00e+00 a 0 0 0 0 0 22 7.025 125.169 1.619 1 T 1.545e+06 0.00e+00 a 0 0 0 0 0 23 7.028 125.073 1.938 1 T 1.206e+06 0.00e+00 a 0 0 0 0 0 24 7.031 125.150 2.886 1 T 1.228e+06 0.00e+00 a 0 0 0 0 0 25 6.917 131.975 4.478 1 T 8.947e+06 0.00e+00 a 0 0 0 0 0 26 6.918 131.852 5.133 1 T 3.007e+06 0.00e+00 a 0 0 0 0 0 27 6.919 131.895 1.666 1 T 1.213e+06 0.00e+00 a 0 0 0 0 0 29 6.917 131.909 2.014 1 T 8.275e+05 0.00e+00 a 0 0 0 0 0 30 6.916 132.054 2.389 1 T 5.832e+06 0.00e+00 a 0 0 0 0 0 31 6.916 132.064 2.864 1 T 2.768e+06 0.00e+00 a 0 0 0 0 0 32 6.918 131.928 3.146 1 T 4.784e+06 0.00e+00 a 0 0 0 0 0 33 6.915 131.909 4.776 1 T 9.087e+05 0.00e+00 a 0 0 0 0 0 34 6.918 131.898 6.639 1 T 3.718e+07 0.00e+00 a 0 0 0 0 0 35 6.918 131.909 8.123 1 T 1.846e+06 0.00e+00 a 0 0 0 0 0 36 6.916 131.909 8.526 1 T 9.996e+05 0.00e+00 a 0 0 0 0 0 37 6.628 118.054 8.244 1 T 1.927e+06 0.00e+00 a 0 0 0 0 0 38 6.631 118.115 6.907 1 T 5.259e+07 0.00e+00 a 0 0 0 0 0 39 6.634 118.118 5.167 1 T 2.755e+06 0.00e+00 a 0 0 0 0 0 40 6.627 118.092 4.484 1 T 1.951e+06 0.00e+00 a 0 0 0 0 0 41 6.639 118.000 1.045 1 T 1.449e+06 0.00e+00 a 0 0 0 0 0 42 6.627 118.176 1.423 1 T 2.342e+06 0.00e+00 a 0 0 0 0 0 43 6.630 118.094 1.728 1 T 5.791e+06 0.00e+00 a 0 0 0 0 0 44 6.631 118.092 1.977 1 T 7.359e+06 0.00e+00 a 0 0 0 0 0 45 6.629 118.092 2.348 1 T 1.126e+06 0.00e+00 a 0 0 0 0 0 46 6.630 118.092 2.843 1 T 1.897e+06 0.00e+00 a 0 0 0 0 0 47 6.630 118.092 3.051 1 T 1.367e+06 0.00e+00 a 0 0 0 0 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-aromatic . . 13.89 ppm . . . 4.708 . . 30538 2 2 . . C 13 C-aromatic . . 21 ppm . . . 123.5 . . 30538 2 3 . . H 1 H . . 14 ppm . . . 4.708 . . 30538 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30538 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; #Number of dimensions 3 #FORMAT xeasy3D #INAME 1 HC #INAME 2 C #INAME 3 H #SPECTRUM C13NOESY HC C H 1 2.909 33.925 3.434 1 T 1.406e+07 0.00e+00 a 0 0 0 0 0 2 4.511 73.390 3.665 1 T 4.995e+06 0.00e+00 a 0 0 0 0 0 4 4.511 73.369 1.211 1 T 1.273e+07 0.00e+00 a 0 0 0 0 0 6 4.904 62.574 1.215 1 T 4.499e+06 0.00e+00 a 0 0 0 0 0 11 1.206 20.538 7.589 1 T 1.516e+06 0.00e+00 a 0 0 0 0 0 12 1.208 20.628 8.568 1 T 9.348e+05 0.00e+00 a 0 0 0 0 0 13 1.208 20.580 8.403 1 T 4.459e+06 0.00e+00 a 0 0 0 0 0 14 1.209 20.652 9.162 1 T 1.444e+06 0.00e+00 a 0 0 0 0 0 15 1.208 20.627 4.895 1 T 8.116e+06 0.00e+00 a 0 0 0 0 0 16 1.207 20.690 4.502 1 T 1.459e+07 0.00e+00 a 0 0 0 0 0 17 1.208 20.658 4.238 1 T 2.340e+06 0.00e+00 a 0 0 0 0 0 18 1.207 20.627 3.671 1 T 3.325e+06 0.00e+00 a 0 0 0 0 0 19 1.207 20.634 3.482 1 T 5.058e+06 0.00e+00 a 0 0 0 0 0 20 1.208 20.639 2.574 1 T 3.888e+06 0.00e+00 a 0 0 0 0 0 21 1.208 20.581 2.239 1 T 8.716e+06 0.00e+00 a 0 0 0 0 0 25 4.299 67.325 4.925 1 T 9.812e+05 0.00e+00 a 0 0 0 0 0 26 4.297 67.325 2.905 1 T 1.237e+06 0.00e+00 a 0 0 0 0 0 27 4.298 67.325 8.374 1 T 1.691e+06 0.00e+00 a 0 0 0 0 0 28 4.299 67.353 8.530 1 T 3.143e+07 0.00e+00 a 0 0 0 0 0 29 4.538 69.098 8.542 1 T 1.442e+06 0.00e+00 a 0 0 0 0 0 31 4.299 67.370 0.916 1 T 3.607e+06 0.00e+00 a 0 0 0 0 0 32 4.299 67.372 1.224 1 T 3.392e+07 0.00e+00 a 0 0 0 0 0 33 4.542 69.170 1.226 1 T 1.185e+07 0.00e+00 a 0 0 0 0 0 36 1.223 21.736 4.301 1 T 1.054e+07 0.00e+00 a 0 0 0 0 0 37 1.225 21.743 4.541 1 T 1.491e+07 0.00e+00 a 0 0 0 0 0 38 1.223 21.702 8.533 1 T 4.171e+06 0.00e+00 a 0 0 0 0 0 40 4.986 56.758 8.405 1 T 1.097e+07 0.00e+00 a 0 0 0 0 0 41 4.985 56.760 7.446 1 T 1.284e+06 0.00e+00 a 0 0 0 0 0 42 4.986 56.845 3.784 1 T 5.026e+06 0.00e+00 a 0 0 0 0 0 43 4.986 56.760 2.086 1 T 2.693e+06 0.00e+00 a 0 0 0 0 0 44 4.985 56.760 1.002 1 T 1.771e+06 0.00e+00 a 0 0 0 0 0 45 2.087 50.333 4.558 1 T 1.494e+06 0.00e+00 a 0 0 0 0 0 46 2.083 50.305 4.976 1 T 1.711e+06 0.00e+00 a 0 0 0 0 0 47 2.083 50.310 3.795 1 T 1.183e+07 0.00e+00 a 0 0 0 0 0 48 2.083 50.259 7.435 1 T 7.332e+05 0.00e+00 a 0 0 0 0 0 49 2.082 50.259 8.403 1 T 1.100e+06 0.00e+00 a 0 0 0 0 0 50 3.787 50.303 2.085 1 T 1.370e+07 0.00e+00 a 0 0 0 0 0 51 3.793 50.392 4.977 1 T 2.966e+06 0.00e+00 a 0 0 0 0 0 52 3.790 50.396 4.557 1 T 1.306e+06 0.00e+00 a 0 0 0 0 0 53 3.790 50.259 7.446 1 T 2.101e+06 0.00e+00 a 0 0 0 0 0 54 3.792 50.259 8.402 1 T 1.700e+06 0.00e+00 a 0 0 0 0 0 55 4.985 56.760 8.502 1 T 1.332e+06 0.00e+00 a 0 0 0 0 0 56 2.082 50.259 8.500 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 57 3.792 50.259 8.494 1 T 5.535e+05 0.00e+00 a 0 0 0 0 0 58 3.741 69.542 7.020 1 T 3.083e+06 0.00e+00 a 0 0 0 0 0 60 3.958 63.001 1.042 1 T 2.613e+07 0.00e+00 a 0 0 0 0 0 61 3.960 62.968 1.984 1 T 2.684e+06 0.00e+00 a 0 0 0 0 0 62 3.958 63.005 1.582 1 T 6.961e+06 0.00e+00 a 0 0 0 0 0 63 3.960 63.081 1.306 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 64 3.958 63.043 3.461 1 T 4.194e+06 0.00e+00 a 0 0 0 0 0 65 3.959 62.960 2.910 1 T 3.470e+06 0.00e+00 a 0 0 0 0 0 66 3.958 62.939 3.147 1 T 1.537e+06 0.00e+00 a 0 0 0 0 0 67 3.958 62.939 3.394 1 T 1.872e+06 0.00e+00 a 0 0 0 0 0 68 3.743 69.575 4.544 1 T 8.629e+06 0.00e+00 a 0 0 0 0 0 69 3.743 69.548 3.954 1 T 6.954e+06 0.00e+00 a 0 0 0 0 0 70 3.959 63.018 4.552 1 T 5.887e+06 0.00e+00 a 0 0 0 0 0 71 3.742 69.527 3.139 1 T 7.706e+06 0.00e+00 a 0 0 0 0 0 72 3.742 69.403 3.275 1 T 2.015e+06 0.00e+00 a 0 0 0 0 0 73 3.958 62.939 3.218 1 T 1.236e+06 0.00e+00 a 0 0 0 0 0 74 3.741 69.523 1.044 1 T 2.178e+07 0.00e+00 a 0 0 0 0 0 75 3.742 69.548 1.575 1 T 8.510e+05 0.00e+00 a 0 0 0 0 0 76 3.744 69.548 7.568 1 T 5.700e+05 0.00e+00 a 0 0 0 0 0 77 3.741 69.518 8.404 1 T 1.622e+06 0.00e+00 a 0 0 0 0 0 78 3.741 69.531 7.348 1 T 7.838e+05 0.00e+00 a 0 0 0 0 0 80 3.960 63.067 7.045 1 T 1.203e+06 0.00e+00 a 0 0 0 0 0 81 3.958 62.987 7.444 1 T 3.066e+06 0.00e+00 a 0 0 0 0 0 82 3.958 62.940 8.745 1 T 3.878e+06 0.00e+00 a 0 0 0 0 0 83 3.959 62.983 8.406 1 T 8.872e+06 0.00e+00 a 0 0 0 0 0 84 3.958 62.939 3.750 1 T 1.466e+07 0.00e+00 a 0 0 0 0 0 86 1.044 22.412 4.983 1 T 7.350e+05 0.00e+00 a 0 0 0 0 0 87 1.044 22.381 3.970 1 T 6.104e+06 0.00e+00 a 0 0 0 0 0 88 1.044 22.354 3.747 1 T 9.112e+06 0.00e+00 a 0 0 0 0 0 89 1.041 22.250 4.506 1 T 1.133e+06 0.00e+00 a 0 0 0 0 0 90 1.041 22.316 4.235 1 T 1.105e+06 0.00e+00 a 0 0 0 0 0 91 1.043 22.316 2.883 1 T 1.630e+06 0.00e+00 a 0 0 0 0 0 92 1.044 22.385 3.355 1 T 1.371e+06 0.00e+00 a 0 0 0 0 0 93 1.043 22.334 3.141 1 T 3.757e+06 0.00e+00 a 0 0 0 0 0 94 1.042 22.316 1.982 1 T 1.917e+06 0.00e+00 a 0 0 0 0 0 95 1.044 22.316 1.571 1 T 5.822e+06 0.00e+00 a 0 0 0 0 0 96 1.042 22.316 7.017 1 T 5.675e+05 0.00e+00 a 0 0 0 0 0 97 1.045 22.311 7.571 1 T 9.807e+05 0.00e+00 a 0 0 0 0 0 98 1.043 22.358 8.403 1 T 5.473e+06 0.00e+00 a 0 0 0 0 0 99 1.039 22.348 9.048 1 T 6.313e+05 0.00e+00 a 0 0 0 0 0 100 1.041 22.296 8.754 1 T 7.162e+05 0.00e+00 a 0 0 0 0 0 101 2.899 37.662 4.402 1 T 2.918e+06 0.00e+00 a 0 0 0 0 0 102 3.031 37.673 4.398 1 T 3.628e+06 0.00e+00 a 0 0 0 0 0 103 3.033 37.643 7.447 1 T 3.842e+06 0.00e+00 a 0 0 0 0 0 104 2.904 37.643 7.443 1 T 3.942e+06 0.00e+00 a 0 0 0 0 0 105 2.907 37.643 6.974 1 T 1.188e+06 0.00e+00 a 0 0 0 0 0 106 3.031 37.643 6.977 1 T 1.320e+06 0.00e+00 a 0 0 0 0 0 107 3.032 37.643 7.708 1 T 2.029e+06 0.00e+00 a 0 0 0 0 0 108 2.905 37.643 7.711 1 T 2.376e+06 0.00e+00 a 0 0 0 0 0 109 3.033 37.643 2.410 1 T 1.701e+06 0.00e+00 a 0 0 0 0 0 110 2.908 37.642 2.421 1 T 2.644e+06 0.00e+00 a 0 0 0 0 0 111 3.033 37.643 8.477 1 T 6.147e+05 0.00e+00 a 0 0 0 0 0 112 2.906 37.643 8.477 1 T 5.515e+05 0.00e+00 a 0 0 0 0 0 113 4.390 55.349 2.914 1 T 1.045e+07 0.00e+00 a 0 0 0 0 0 114 4.390 55.349 3.037 1 T 6.973e+06 0.00e+00 a 0 0 0 0 0 115 4.390 55.349 3.362 1 T 8.998e+05 0.00e+00 a 0 0 0 0 0 116 4.390 55.349 3.692 1 T 5.797e+05 0.00e+00 a 0 0 0 0 0 117 4.391 55.349 6.981 1 T 1.118e+06 0.00e+00 a 0 0 0 0 0 118 4.391 55.349 7.449 1 T 1.039e+07 0.00e+00 a 0 0 0 0 0 119 4.393 55.349 7.695 1 T 9.151e+05 0.00e+00 a 0 0 0 0 0 120 4.392 55.376 8.495 1 T 3.557e+07 0.00e+00 a 0 0 0 0 0 121 4.394 55.349 2.420 1 T 8.055e+05 0.00e+00 a 0 0 0 0 0 122 5.138 58.521 6.913 1 T 6.191e+06 0.00e+00 a 0 0 0 0 0 123 5.138 58.626 6.652 1 T 2.449e+06 0.00e+00 a 0 0 0 0 0 124 3.380 67.742 5.122 1 T 3.694e+06 0.00e+00 a 0 0 0 0 0 125 3.379 67.730 4.439 1 T 1.466e+07 0.00e+00 a 0 0 0 0 0 126 5.139 58.591 3.381 1 T 1.523e+07 0.00e+00 a 0 0 0 0 0 127 5.139 58.585 8.286 1 T 1.544e+07 0.00e+00 a 0 0 0 0 0 128 5.138 58.591 8.139 1 T 5.301e+06 0.00e+00 a 0 0 0 0 0 129 5.137 58.598 8.498 1 T 9.762e+06 0.00e+00 a 0 0 0 0 0 130 5.140 58.591 8.953 1 T 9.056e+05 0.00e+00 a 0 0 0 0 0 131 5.140 58.591 9.172 1 T 7.457e+05 0.00e+00 a 0 0 0 0 0 132 3.380 67.824 8.264 1 T 3.523e+06 0.00e+00 a 0 0 0 0 0 133 3.383 67.728 8.484 1 T 9.145e+05 0.00e+00 a 0 0 0 0 0 134 5.137 58.636 4.202 1 T 2.332e+06 0.00e+00 a 0 0 0 0 0 135 5.139 58.612 4.446 1 T 1.363e+07 0.00e+00 a 0 0 0 0 0 136 3.380 67.702 4.191 1 T 1.698e+06 0.00e+00 a 0 0 0 0 0 137 4.432 67.819 3.386 1 T 1.361e+07 0.00e+00 a 0 0 0 0 0 138 4.433 67.821 4.198 1 T 1.729e+06 0.00e+00 a 0 0 0 0 0 139 4.432 67.821 4.827 1 T 8.837e+05 0.00e+00 a 0 0 0 0 0 140 3.381 67.821 4.816 1 T 7.018e+05 0.00e+00 a 0 0 0 0 0 141 5.138 58.591 4.810 1 T 1.597e+06 0.00e+00 a 0 0 0 0 0 142 3.382 67.821 3.176 1 T 1.739e+06 0.00e+00 a 0 0 0 0 0 143 4.432 67.821 3.187 1 T 1.016e+06 0.00e+00 a 0 0 0 0 0 144 4.433 67.821 2.897 1 T 3.792e+05 0.00e+00 a 0 0 0 0 0 145 3.381 67.821 2.886 1 T 5.015e+05 0.00e+00 a 0 0 0 0 0 146 5.141 58.591 3.171 1 T 1.220e+06 0.00e+00 a 0 0 0 0 0 147 5.138 58.591 2.897 1 T 9.428e+05 0.00e+00 a 0 0 0 0 0 148 5.135 58.632 2.402 1 T 1.427e+06 0.00e+00 a 0 0 0 0 0 149 5.140 58.591 1.296 1 T 8.053e+05 0.00e+00 a 0 0 0 0 0 150 5.138 58.591 1.974 1 T 8.354e+05 0.00e+00 a 0 0 0 0 0 151 5.138 58.591 1.722 1 T 2.753e+06 0.00e+00 a 0 0 0 0 0 152 5.140 58.675 1.552 1 T 1.139e+06 0.00e+00 a 0 0 0 0 0 153 4.434 67.939 3.928 1 T 8.096e+05 0.00e+00 a 0 0 0 0 0 155 4.432 67.821 7.046 1 T 8.745e+05 0.00e+00 a 0 0 0 0 0 156 4.434 67.821 5.133 1 T 2.250e+06 0.00e+00 a 0 0 0 0 0 157 4.432 67.821 8.234 1 T 1.618e+06 0.00e+00 a 0 0 0 0 0 158 4.432 67.821 8.982 1 T 3.651e+05 0.00e+00 a 0 0 0 0 0 159 1.953 38.132 4.621 1 T 2.971e+06 0.00e+00 a 0 0 0 0 0 160 1.708 38.092 4.627 1 T 1.523e+06 0.00e+00 a 0 0 0 0 0 161 1.958 38.020 6.635 1 T 2.179e+06 0.00e+00 a 0 0 0 0 0 162 1.710 38.092 6.623 1 T 1.052e+06 0.00e+00 a 0 0 0 0 0 163 1.709 38.168 1.950 1 T 1.596e+07 0.00e+00 a 0 0 0 0 0 164 1.955 38.085 1.717 1 T 2.106e+07 0.00e+00 a 0 0 0 0 0 165 1.955 38.145 8.284 1 T 1.403e+06 0.00e+00 a 0 0 0 0 0 166 1.709 38.092 8.276 1 T 1.007e+06 0.00e+00 a 0 0 0 0 0 167 1.709 38.092 2.415 1 T 6.127e+05 0.00e+00 a 0 0 0 0 0 168 4.611 56.048 1.752 1 T 9.940e+05 0.00e+00 a 0 0 0 0 0 169 4.612 55.948 1.946 1 T 2.822e+06 0.00e+00 a 0 0 0 0 0 170 4.613 56.006 1.297 1 T 3.218e+06 0.00e+00 a 0 0 0 0 0 171 4.613 56.058 1.427 1 T 7.635e+05 0.00e+00 a 0 0 0 0 0 172 1.956 38.092 1.426 1 T 1.188e+06 0.00e+00 a 0 0 0 0 0 173 1.957 38.092 1.297 1 T 1.105e+06 0.00e+00 a 0 0 0 0 0 174 1.711 38.092 1.297 1 T 1.524e+06 0.00e+00 a 0 0 0 0 0 175 1.709 38.092 1.423 1 T 7.376e+05 0.00e+00 a 0 0 0 0 0 176 1.195 25.310 1.962 1 T 2.172e+06 0.00e+00 a 0 0 0 0 0 177 1.352 25.245 4.622 1 T 1.114e+06 0.00e+00 a 0 0 0 0 0 178 1.298 24.284 4.626 1 T 5.994e+06 0.00e+00 a 0 0 0 0 0 179 1.438 25.681 4.644 1 T 7.940e+05 0.00e+00 a 0 0 0 0 0 180 1.297 25.714 4.637 1 T 5.432e+05 0.00e+00 a 0 0 0 0 0 181 1.439 25.714 1.708 1 T 2.191e+06 0.00e+00 a 0 0 0 0 0 182 1.438 25.714 1.944 1 T 1.003e+06 0.00e+00 a 0 0 0 0 0 183 1.438 25.714 1.297 1 T 1.198e+07 0.00e+00 a 0 0 0 0 0 184 1.295 25.714 1.440 1 T 1.030e+07 0.00e+00 a 0 0 0 0 0 185 1.296 25.714 1.708 1 T 1.271e+06 0.00e+00 a 0 0 0 0 0 186 1.294 25.714 3.028 1 T 8.160e+05 0.00e+00 a 0 0 0 0 0 187 1.441 25.714 3.028 1 T 5.984e+05 0.00e+00 a 0 0 0 0 0 188 1.786 29.461 1.292 1 T 1.491e+06 0.00e+00 a 0 0 0 0 0 189 1.785 29.435 3.030 1 T 3.290e+06 0.00e+00 a 0 0 0 0 0 190 3.020 42.268 1.780 1 T 4.327e+06 0.00e+00 a 0 0 0 0 0 191 3.020 42.249 1.302 1 T 1.468e+06 0.00e+00 a 0 0 0 0 0 192 3.020 42.249 1.412 1 T 1.066e+06 0.00e+00 a 0 0 0 0 0 193 2.793 40.189 3.558 1 T 2.910e+06 0.00e+00 a 0 0 0 0 0 194 2.466 40.151 3.561 1 T 6.081e+06 0.00e+00 a 0 0 0 0 0 195 2.465 40.066 2.795 1 T 2.113e+07 0.00e+00 a 0 0 0 0 0 196 2.792 40.092 1.298 1 T 7.214e+05 0.00e+00 a 0 0 0 0 0 197 2.466 40.092 1.293 1 T 9.690e+05 0.00e+00 a 0 0 0 0 0 198 2.793 40.113 4.283 1 T 8.043e+05 0.00e+00 a 0 0 0 0 0 199 2.792 40.092 4.588 1 T 8.023e+05 0.00e+00 a 0 0 0 0 0 200 2.793 40.092 4.775 1 T 1.402e+06 0.00e+00 a 0 0 0 0 0 201 2.465 40.073 4.775 1 T 2.985e+06 0.00e+00 a 0 0 0 0 0 202 2.466 40.092 4.593 1 T 4.612e+05 0.00e+00 a 0 0 0 0 0 203 2.463 40.110 8.514 1 T 3.413e+06 0.00e+00 a 0 0 0 0 0 204 2.794 40.161 8.524 1 T 3.645e+06 0.00e+00 a 0 0 0 0 0 205 2.794 40.128 2.467 1 T 1.849e+07 0.00e+00 a 0 0 0 0 0 206 2.040 34.497 4.702 1 T 1.207e+06 0.00e+00 a 0 0 0 0 0 207 1.804 34.475 4.690 1 T 9.692e+05 0.00e+00 a 0 0 0 0 0 208 2.040 34.476 1.792 1 T 1.338e+07 0.00e+00 a 0 0 0 0 0 209 1.796 34.476 2.035 1 T 1.354e+07 0.00e+00 a 0 0 0 0 0 210 1.797 34.476 8.884 1 T 1.643e+06 0.00e+00 a 0 0 0 0 0 211 2.040 34.497 8.879 1 T 6.186e+05 0.00e+00 a 0 0 0 0 0 212 2.041 34.497 2.391 1 T 1.863e+06 0.00e+00 a 0 0 0 0 0 213 1.796 34.476 2.379 1 T 2.470e+06 0.00e+00 a 0 0 0 0 0 214 2.393 31.546 4.694 1 T 1.383e+06 0.00e+00 a 0 0 0 0 0 215 2.392 31.560 1.789 1 T 7.034e+06 0.00e+00 a 0 0 0 0 0 216 2.391 31.445 2.037 1 T 3.197e+06 0.00e+00 a 0 0 0 0 0 217 2.390 31.445 1.346 1 T 1.000e+06 0.00e+00 a 0 0 0 0 0 218 2.392 31.468 8.914 1 T 1.196e+06 0.00e+00 a 0 0 0 0 0 219 2.395 31.593 7.628 1 T 1.131e+06 0.00e+00 a 0 0 0 0 0 220 2.076 16.923 6.675 1 T 1.229e+06 0.00e+00 a 0 0 0 0 0 221 2.077 16.935 6.869 1 T 9.291e+05 0.00e+00 a 0 0 0 0 0 222 2.074 16.935 4.640 1 T 5.916e+05 0.00e+00 a 0 0 0 0 0 223 2.076 16.935 2.084 1 T 8.715e+08 0.00e+00 a 0 0 0 0 0 224 2.040 34.497 2.077 1 T 2.644e+07 0.00e+00 a 0 0 0 0 0 225 1.796 34.476 2.075 1 T 1.003e+07 0.00e+00 a 0 0 0 0 0 226 2.392 31.445 2.073 1 T 2.283e+06 0.00e+00 a 0 0 0 0 0 227 4.301 54.253 3.003 1 T 1.935e+07 0.00e+00 a 0 0 0 0 0 229 4.301 54.267 2.701 1 T 8.554e+06 0.00e+00 a 0 0 0 0 0 230 2.714 37.487 4.307 1 T 2.370e+06 0.00e+00 a 0 0 0 0 0 231 3.004 37.467 2.716 1 T 3.020e+07 0.00e+00 a 0 0 0 0 0 232 2.719 37.393 7.621 1 T 1.718e+06 0.00e+00 a 0 0 0 0 0 233 4.300 54.161 8.180 1 T 8.003e+06 0.00e+00 a 0 0 0 0 0 234 4.299 54.228 9.401 1 T 6.967e+06 0.00e+00 a 0 0 0 0 0 235 4.306 54.253 6.926 1 T 7.934e+05 0.00e+00 a 0 0 0 0 0 236 3.003 37.474 4.307 1 T 4.443e+06 0.00e+00 a 0 0 0 0 0 237 2.714 37.424 3.004 1 T 2.981e+07 0.00e+00 a 0 0 0 0 0 238 4.068 45.848 7.655 1 T 2.679e+06 0.00e+00 a 0 0 0 0 0 239 4.065 45.837 8.193 1 T 1.355e+07 0.00e+00 a 0 0 0 0 0 240 4.063 45.832 8.023 1 T 1.488e+06 0.00e+00 a 0 0 0 0 0 241 4.063 45.878 5.268 1 T 1.094e+06 0.00e+00 a 0 0 0 0 0 242 4.069 45.816 2.960 1 T 1.654e+06 0.00e+00 a 0 0 0 0 0 243 4.063 45.780 1.311 1 T 9.493e+05 0.00e+00 a 0 0 0 0 0 244 4.067 45.806 1.651 1 T 6.412e+05 0.00e+00 a 0 0 0 0 0 245 4.067 45.806 1.740 1 T 5.229e+05 0.00e+00 a 0 0 0 0 0 246 5.298 54.398 1.697 1 T 1.615e+07 0.00e+00 a 0 0 0 0 0 247 5.297 54.398 1.349 1 T 6.271e+06 0.00e+00 a 0 0 0 0 0 248 5.298 54.442 8.898 1 T 2.666e+07 0.00e+00 a 0 0 0 0 0 249 5.296 54.328 8.018 1 T 4.195e+06 0.00e+00 a 0 0 0 0 0 250 5.298 54.420 7.644 1 T 5.041e+06 0.00e+00 a 0 0 0 0 0 251 5.294 54.398 8.309 1 T 4.928e+05 0.00e+00 a 0 0 0 0 0 252 1.702 36.157 7.643 1 T 1.467e+06 0.00e+00 a 0 0 0 0 0 253 1.647 36.220 7.637 1 T 1.277e+06 0.00e+00 a 0 0 0 0 0 254 1.702 36.190 8.895 1 T 1.800e+06 0.00e+00 a 0 0 0 0 0 255 1.646 36.205 8.892 1 T 1.706e+06 0.00e+00 a 0 0 0 0 0 256 1.646 36.157 5.299 1 T 2.730e+06 0.00e+00 a 0 0 0 0 0 257 1.702 36.085 5.300 1 T 2.888e+06 0.00e+00 a 0 0 0 0 0 258 5.297 54.398 2.477 1 T 7.791e+05 0.00e+00 a 0 0 0 0 0 259 5.294 54.398 2.746 1 T 1.261e+06 0.00e+00 a 0 0 0 0 0 260 1.700 36.124 2.465 1 T 6.245e+05 0.00e+00 a 0 0 0 0 0 261 1.647 36.124 2.457 1 T 7.693e+05 0.00e+00 a 0 0 0 0 0 262 5.295 54.398 0.841 1 T 8.904e+05 0.00e+00 a 0 0 0 0 0 263 1.702 36.124 1.349 1 T 2.177e+06 0.00e+00 a 0 0 0 0 0 264 1.648 36.124 1.349 1 T 2.738e+06 0.00e+00 a 0 0 0 0 0 265 5.297 54.398 4.113 1 T 1.132e+06 0.00e+00 a 0 0 0 0 0 266 1.266 24.773 5.300 1 T 8.544e+05 0.00e+00 a 0 0 0 0 0 267 1.349 24.788 5.310 1 T 8.548e+05 0.00e+00 a 0 0 0 0 0 268 1.266 24.788 2.929 1 T 5.869e+05 0.00e+00 a 0 0 0 0 0 269 1.349 24.788 2.918 1 T 1.122e+06 0.00e+00 a 0 0 0 0 0 270 5.298 54.398 1.259 1 T 3.814e+06 0.00e+00 a 0 0 0 0 0 271 1.701 36.124 1.265 1 T 2.035e+06 0.00e+00 a 0 0 0 0 0 272 1.646 36.124 1.262 1 T 1.333e+06 0.00e+00 a 0 0 0 0 0 273 5.298 54.398 1.645 1 T 1.097e+07 0.00e+00 a 0 0 0 0 0 274 1.260 24.788 1.645 1 T 3.733e+06 0.00e+00 a 0 0 0 0 0 275 1.261 24.788 1.699 1 T 2.645e+06 0.00e+00 a 0 0 0 0 0 276 1.350 24.788 1.642 1 T 8.279e+06 0.00e+00 a 0 0 0 0 0 277 1.350 24.788 1.702 1 T 6.140e+06 0.00e+00 a 0 0 0 0 0 278 2.755 40.092 0.818 1 T 2.064e+06 0.00e+00 a 0 0 0 0 0 279 2.540 40.026 0.815 1 T 1.781e+06 0.00e+00 a 0 0 0 0 0 280 2.755 40.106 1.537 1 T 6.419e+06 0.00e+00 a 0 0 0 0 0 281 2.540 40.064 1.533 1 T 3.817e+06 0.00e+00 a 0 0 0 0 0 282 2.755 40.047 2.532 1 T 1.864e+07 0.00e+00 a 0 0 0 0 0 283 2.540 40.112 2.761 1 T 2.263e+07 0.00e+00 a 0 0 0 0 0 285 2.543 40.097 3.215 1 T 2.065e+06 0.00e+00 a 0 0 0 0 0 286 2.543 40.070 4.704 1 T 2.630e+06 0.00e+00 a 0 0 0 0 0 287 2.757 40.069 4.698 1 T 1.344e+06 0.00e+00 a 0 0 0 0 0 288 2.757 40.240 5.321 1 T 5.825e+05 0.00e+00 a 0 0 0 0 0 289 2.541 40.025 8.917 1 T 3.683e+06 0.00e+00 a 0 0 0 0 0 290 2.755 40.065 8.905 1 T 5.170e+06 0.00e+00 a 0 0 0 0 0 294 1.614 33.103 4.460 1 T 2.724e+06 0.00e+00 a 0 0 0 0 0 295 1.716 33.130 4.458 1 T 2.655e+06 0.00e+00 a 0 0 0 0 0 299 1.613 33.035 0.857 1 T 1.292e+06 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3.155 39.171 4.492 1 T 6.965e+06 0.00e+00 a 0 0 0 0 0 339 2.403 39.275 4.485 1 T 3.723e+06 0.00e+00 a 0 0 0 0 0 340 4.482 58.812 3.161 1 T 1.036e+07 0.00e+00 a 0 0 0 0 0 342 3.153 39.152 0.788 1 T 1.291e+06 0.00e+00 a 0 0 0 0 0 343 4.483 58.860 2.397 1 T 5.694e+06 0.00e+00 a 0 0 0 0 0 344 4.485 58.829 0.778 1 T 4.250e+05 0.00e+00 a 0 0 0 0 0 345 3.155 39.250 2.407 1 T 3.235e+07 0.00e+00 a 0 0 0 0 0 346 2.404 39.260 0.778 1 T 7.816e+05 0.00e+00 a 0 0 0 0 0 347 2.406 39.239 3.159 1 T 2.482e+07 0.00e+00 a 0 0 0 0 0 348 4.484 58.942 6.921 1 T 6.443e+06 0.00e+00 a 0 0 0 0 0 349 4.478 58.836 8.126 1 T 2.913e+06 0.00e+00 a 0 0 0 0 0 350 4.483 58.829 9.162 1 T 1.691e+06 0.00e+00 a 0 0 0 0 0 351 3.156 39.422 9.169 1 T 6.821e+05 0.00e+00 a 0 0 0 0 0 352 3.154 39.187 7.680 1 T 6.841e+05 0.00e+00 a 0 0 0 0 0 353 3.156 39.228 6.924 1 T 4.450e+06 0.00e+00 a 0 0 0 0 0 354 3.160 39.260 8.125 1 T 3.008e+06 0.00e+00 a 0 0 0 0 0 355 2.406 39.307 6.920 1 T 3.996e+06 0.00e+00 a 0 0 0 0 0 356 2.404 39.252 8.116 1 T 2.890e+06 0.00e+00 a 0 0 0 0 0 357 2.404 39.471 9.155 1 T 9.541e+05 0.00e+00 a 0 0 0 0 0 358 4.244 43.820 4.517 1 T 2.584e+06 0.00e+00 a 0 0 0 0 0 359 3.650 43.815 4.512 1 T 4.805e+06 0.00e+00 a 0 0 0 0 0 360 4.245 43.821 3.655 1 T 2.340e+07 0.00e+00 a 0 0 0 0 0 361 3.651 43.821 4.242 1 T 2.501e+07 0.00e+00 a 0 0 0 0 0 362 3.650 43.828 1.207 1 T 4.164e+06 0.00e+00 a 0 0 0 0 0 363 4.244 43.821 1.221 1 T 2.257e+06 0.00e+00 a 0 0 0 0 0 365 3.649 43.841 2.085 1 T 8.927e+05 0.00e+00 a 0 0 0 0 0 366 3.651 43.821 2.749 1 T 5.146e+05 0.00e+00 a 0 0 0 0 0 367 3.648 43.836 8.632 1 T 5.705e+06 0.00e+00 a 0 0 0 0 0 368 3.650 43.783 9.157 1 T 5.762e+06 0.00e+00 a 0 0 0 0 0 369 4.245 43.821 8.637 1 T 7.904e+06 0.00e+00 a 0 0 0 0 0 371 4.244 43.821 9.157 1 T 2.286e+06 0.00e+00 a 0 0 0 0 0 372 4.245 43.821 7.668 1 T 4.904e+05 0.00e+00 a 0 0 0 0 0 373 2.735 41.654 8.627 1 T 4.583e+06 0.00e+00 a 0 0 0 0 0 374 3.142 41.595 8.630 1 T 2.835e+06 0.00e+00 a 0 0 0 0 0 375 3.141 41.589 4.562 1 T 6.635e+06 0.00e+00 a 0 0 0 0 0 376 4.557 54.441 3.143 1 T 4.937e+06 0.00e+00 a 0 0 0 0 0 377 4.558 54.562 2.727 1 T 2.306e+06 0.00e+00 a 0 0 0 0 0 378 3.139 41.470 7.611 1 T 1.146e+06 0.00e+00 a 0 0 0 0 0 379 4.559 54.583 2.073 1 T 1.170e+06 0.00e+00 a 0 0 0 0 0 380 3.144 41.595 2.725 1 T 2.613e+07 0.00e+00 a 0 0 0 0 0 381 2.729 41.595 3.134 1 T 1.763e+07 0.00e+00 a 0 0 0 0 0 382 4.557 54.463 7.617 1 T 2.880e+06 0.00e+00 a 0 0 0 0 0 383 4.557 54.598 8.614 1 T 1.430e+06 0.00e+00 a 0 0 0 0 0 384 2.737 41.595 7.602 1 T 4.933e+05 0.00e+00 a 0 0 0 0 0 385 4.032 63.281 7.616 1 T 6.250e+06 0.00e+00 a 0 0 0 0 0 386 4.032 63.251 8.527 1 T 7.430e+05 0.00e+00 a 0 0 0 0 0 387 4.030 63.330 2.046 1 T 7.038e+06 0.00e+00 a 0 0 0 0 0 388 4.031 63.355 0.816 1 T 4.147e+06 0.00e+00 a 0 0 0 0 0 389 2.049 33.397 4.031 1 T 3.482e+06 0.00e+00 a 0 0 0 0 0 390 2.050 33.322 0.819 1 T 4.722e+06 0.00e+00 a 0 0 0 0 0 391 2.045 33.381 7.610 1 T 1.751e+06 0.00e+00 a 0 0 0 0 0 392 0.763 19.819 2.044 1 T 1.062e+06 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3.434 33.919 4.484 1 T 7.639e+05 0.00e+00 a 0 0 0 0 0 434 3.433 33.973 4.737 1 T 3.041e+06 0.00e+00 a 0 0 0 0 0 435 3.436 34.007 8.477 1 T 2.075e+06 0.00e+00 a 0 0 0 0 0 436 3.713 59.755 0.951 1 T 1.341e+07 0.00e+00 a 0 0 0 0 0 437 3.713 59.755 1.592 1 T 1.147e+07 0.00e+00 a 0 0 0 0 0 438 3.714 59.744 1.990 1 T 6.594e+06 0.00e+00 a 0 0 0 0 0 439 3.713 59.774 2.896 1 T 9.480e+05 0.00e+00 a 0 0 0 0 0 440 3.713 59.740 4.288 1 T 3.899e+06 0.00e+00 a 0 0 0 0 0 441 3.716 59.867 4.963 1 T 1.511e+06 0.00e+00 a 0 0 0 0 0 443 3.715 59.789 8.726 1 T 6.077e+06 0.00e+00 a 0 0 0 0 0 444 3.717 59.792 8.143 1 T 1.674e+06 0.00e+00 a 0 0 0 0 0 445 3.717 59.657 7.642 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0 446 3.713 59.755 8.504 1 T 9.695e+06 0.00e+00 a 0 0 0 0 0 447 3.717 59.564 7.846 1 T 8.475e+05 0.00e+00 a 0 0 0 0 0 448 1.593 31.856 8.738 1 T 3.880e+06 0.00e+00 a 0 0 0 0 0 449 1.592 31.774 8.465 1 T 4.973e+05 0.00e+00 a 0 0 0 0 0 450 1.592 31.932 8.166 1 T 8.408e+05 0.00e+00 a 0 0 0 0 0 452 1.987 32.062 7.592 1 T 1.849e+06 0.00e+00 a 0 0 0 0 0 453 1.991 31.858 8.736 1 T 3.251e+06 0.00e+00 a 0 0 0 0 0 454 1.987 31.903 8.151 1 T 6.059e+06 0.00e+00 a 0 0 0 0 0 455 1.985 31.853 4.230 1 T 2.662e+06 0.00e+00 a 0 0 0 0 0 456 1.987 31.992 3.981 1 T 4.414e+06 0.00e+00 a 0 0 0 0 0 457 1.994 31.880 3.712 1 T 1.562e+06 0.00e+00 a 0 0 0 0 0 458 3.714 59.745 1.196 1 T 5.485e+06 0.00e+00 a 0 0 0 0 0 459 1.593 31.873 3.712 1 T 3.307e+06 0.00e+00 a 0 0 0 0 0 460 1.592 31.891 1.994 1 T 1.496e+07 0.00e+00 a 0 0 0 0 0 462 1.589 31.878 3.970 1 T 1.894e+06 0.00e+00 a 0 0 0 0 0 463 1.593 31.891 0.947 1 T 3.562e+06 0.00e+00 a 0 0 0 0 0 464 1.592 31.891 1.181 1 T 1.368e+06 0.00e+00 a 0 0 0 0 0 466 1.993 31.886 1.204 1 T 2.331e+06 0.00e+00 a 0 0 0 0 0 467 1.995 31.880 0.951 1 T 2.468e+06 0.00e+00 a 0 0 0 0 0 468 1.201 25.215 0.936 1 T 1.733e+07 0.00e+00 a 0 0 0 0 0 469 0.931 25.337 1.205 1 T 1.392e+07 0.00e+00 a 0 0 0 0 0 470 0.938 25.157 1.994 1 T 1.575e+06 0.00e+00 a 0 0 0 0 0 471 0.937 25.157 2.897 1 T 1.565e+06 0.00e+00 a 0 0 0 0 0 472 0.937 25.157 3.715 1 T 2.118e+06 0.00e+00 a 0 0 0 0 0 473 0.938 25.350 4.289 1 T 1.055e+06 0.00e+00 a 0 0 0 0 0 474 1.196 25.283 2.886 1 T 1.517e+06 0.00e+00 a 0 0 0 0 0 475 1.202 25.312 3.700 1 T 1.018e+06 0.00e+00 a 0 0 0 0 0 477 1.201 25.157 4.286 1 T 8.516e+05 0.00e+00 a 0 0 0 0 0 478 1.439 29.648 2.890 1 T 3.197e+06 0.00e+00 a 0 0 0 0 0 479 1.539 29.522 2.895 1 T 4.018e+06 0.00e+00 a 0 0 0 0 0 480 1.539 29.522 0.952 1 T 2.553e+06 0.00e+00 a 0 0 0 0 0 481 1.439 29.522 0.952 1 T 2.947e+06 0.00e+00 a 0 0 0 0 0 482 1.436 29.522 1.193 1 T 1.445e+06 0.00e+00 a 0 0 0 0 0 483 1.539 29.522 1.201 1 T 1.958e+06 0.00e+00 a 0 0 0 0 0 484 1.538 29.522 1.995 1 T 1.471e+06 0.00e+00 a 0 0 0 0 0 485 1.437 29.522 1.988 1 T 1.172e+06 0.00e+00 a 0 0 0 0 0 486 2.888 42.236 0.950 1 T 6.157e+06 0.00e+00 a 0 0 0 0 0 487 2.889 42.226 1.201 1 T 4.167e+06 0.00e+00 a 0 0 0 0 0 488 2.888 42.226 1.434 1 T 3.018e+06 0.00e+00 a 0 0 0 0 0 489 2.890 42.226 1.543 1 T 9.897e+06 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2.435 32.682 1.819 1 T 2.649e+07 0.00e+00 a 0 0 0 0 0 529 3.721 51.255 1.824 1 T 1.902e+06 0.00e+00 a 0 0 0 0 0 530 3.720 51.255 2.043 1 T 8.120e+06 0.00e+00 a 0 0 0 0 0 531 3.718 51.255 2.258 1 T 3.458e+06 0.00e+00 a 0 0 0 0 0 532 3.721 51.255 2.436 1 T 9.297e+05 0.00e+00 a 0 0 0 0 0 533 3.610 51.260 2.431 1 T 1.484e+06 0.00e+00 a 0 0 0 0 0 534 3.614 51.260 2.242 1 T 3.995e+06 0.00e+00 a 0 0 0 0 0 535 3.612 51.260 2.048 1 T 1.030e+07 0.00e+00 a 0 0 0 0 0 536 3.612 51.260 1.819 1 T 1.175e+06 0.00e+00 a 0 0 0 0 0 537 2.042 27.968 1.824 1 T 2.612e+06 0.00e+00 a 0 0 0 0 0 538 2.249 27.933 1.819 1 T 3.791e+06 0.00e+00 a 0 0 0 0 0 539 2.248 27.933 2.048 1 T 2.588e+07 0.00e+00 a 0 0 0 0 0 540 2.251 27.933 2.436 1 T 3.012e+06 0.00e+00 a 0 0 0 0 0 541 2.041 27.968 2.431 1 T 2.707e+06 0.00e+00 a 0 0 0 0 0 542 2.041 27.968 2.247 1 T 2.142e+07 0.00e+00 a 0 0 0 0 0 543 2.251 28.247 4.263 1 T 1.168e+06 0.00e+00 a 0 0 0 0 0 544 2.250 27.845 4.008 1 T 6.638e+05 0.00e+00 a 0 0 0 0 0 545 2.248 27.721 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5.694e+06 0.00e+00 a 0 0 0 0 0 563 3.723 51.275 7.312 1 T 5.837e+05 0.00e+00 a 0 0 0 0 0 565 2.434 32.682 8.467 1 T 8.195e+05 0.00e+00 a 0 0 0 0 0 566 1.825 32.672 8.471 1 T 2.235e+06 0.00e+00 a 0 0 0 0 0 567 4.257 65.461 7.609 1 T 1.187e+06 0.00e+00 a 0 0 0 0 0 568 4.258 65.426 8.185 1 T 4.489e+06 0.00e+00 a 0 0 0 0 0 569 4.254 65.376 8.436 1 T 1.946e+06 0.00e+00 a 0 0 0 0 0 570 2.249 27.968 8.470 1 T 7.210e+05 0.00e+00 a 0 0 0 0 0 571 3.615 51.056 4.660 1 T 1.082e+06 0.00e+00 a 0 0 0 0 0 572 3.719 51.177 4.657 1 T 1.279e+06 0.00e+00 a 0 0 0 0 0 573 4.258 65.461 1.446 1 T 1.514e+06 0.00e+00 a 0 0 0 0 0 574 4.255 65.461 1.563 1 T 1.667e+06 0.00e+00 a 0 0 0 0 0 575 1.826 32.688 2.433 1 T 1.673e+07 0.00e+00 a 0 0 0 0 0 576 4.028 47.855 2.009 1 T 1.523e+06 0.00e+00 a 0 0 0 0 0 577 4.024 47.853 1.014 1 T 6.610e+05 0.00e+00 a 0 0 0 0 0 578 4.028 47.708 1.599 1 T 9.220e+05 0.00e+00 a 0 0 0 0 0 580 3.910 47.733 1.593 1 T 6.529e+05 0.00e+00 a 0 0 0 0 0 581 3.908 47.733 1.998 1 T 1.651e+06 0.00e+00 a 0 0 0 0 0 582 4.024 47.733 3.657 1 T 6.299e+06 0.00e+00 a 0 0 0 0 0 583 3.910 47.733 3.651 1 T 9.374e+06 0.00e+00 a 0 0 0 0 0 584 4.025 47.778 9.080 1 T 7.747e+06 0.00e+00 a 0 0 0 0 0 585 3.904 47.779 9.077 1 T 9.817e+06 0.00e+00 a 0 0 0 0 0 586 3.911 47.733 8.794 1 T 7.171e+05 0.00e+00 a 0 0 0 0 0 587 4.537 60.010 1.039 1 T 2.361e+06 0.00e+00 a 0 0 0 0 0 588 3.305 28.956 1.049 1 T 2.559e+06 0.00e+00 a 0 0 0 0 0 589 3.129 28.981 1.048 1 T 3.991e+06 0.00e+00 a 0 0 0 0 0 591 4.535 59.944 2.905 1 T 1.469e+06 0.00e+00 a 0 0 0 0 0 592 4.536 59.944 3.145 1 T 5.627e+06 0.00e+00 a 0 0 0 0 0 593 4.537 59.944 3.299 1 T 3.293e+06 0.00e+00 a 0 0 0 0 0 594 4.536 59.951 3.749 1 T 5.708e+06 0.00e+00 a 0 0 0 0 0 595 4.542 59.977 3.963 1 T 3.050e+06 0.00e+00 a 0 0 0 0 0 596 3.138 29.094 4.535 1 T 2.593e+06 0.00e+00 a 0 0 0 0 0 597 3.302 29.051 4.533 1 T 2.113e+06 0.00e+00 a 0 0 0 0 0 598 3.303 29.047 3.141 1 T 2.104e+07 0.00e+00 a 0 0 0 0 0 599 3.138 29.023 3.299 1 T 2.630e+07 0.00e+00 a 0 0 0 0 0 600 3.303 29.053 3.744 1 T 1.073e+06 0.00e+00 a 0 0 0 0 0 601 3.140 29.053 3.739 1 T 1.676e+06 0.00e+00 a 0 0 0 0 0 602 3.138 29.053 4.003 1 T 7.273e+05 0.00e+00 a 0 0 0 0 0 603 3.303 29.053 4.018 1 T 5.443e+05 0.00e+00 a 0 0 0 0 0 604 4.537 60.016 7.034 1 T 4.747e+06 0.00e+00 a 0 0 0 0 0 605 4.538 60.060 7.295 1 T 3.159e+06 0.00e+00 a 0 0 0 0 0 606 4.534 59.932 9.115 1 T 8.413e+05 0.00e+00 a 0 0 0 0 0 607 4.535 59.961 11.400 1 T 6.237e+05 0.00e+00 a 0 0 0 0 0 608 3.304 28.981 9.079 1 T 3.050e+06 0.00e+00 a 0 0 0 0 0 609 3.137 29.053 9.077 1 T 2.779e+06 0.00e+00 a 0 0 0 0 0 610 3.134 29.068 7.601 1 T 1.801e+06 0.00e+00 a 0 0 0 0 0 611 3.133 29.083 7.284 1 T 2.328e+06 0.00e+00 a 0 0 0 0 0 612 3.302 28.962 7.609 1 T 1.662e+06 0.00e+00 a 0 0 0 0 0 613 3.303 28.942 7.291 1 T 2.830e+06 0.00e+00 a 0 0 0 0 0 614 3.304 29.016 7.075 1 T 4.753e+05 0.00e+00 a 0 0 0 0 0 615 3.136 29.065 7.086 1 T 7.393e+05 0.00e+00 a 0 0 0 0 0 618 3.245 38.366 1.294 1 T 8.882e+05 0.00e+00 a 0 0 0 0 0 619 3.151 38.441 1.299 1 T 1.045e+06 0.00e+00 a 0 0 0 0 0 620 3.244 38.386 2.527 1 T 1.700e+06 0.00e+00 a 0 0 0 0 0 621 3.149 38.386 2.538 1 T 1.996e+06 0.00e+00 a 0 0 0 0 0 622 3.249 38.413 4.679 1 T 1.829e+06 0.00e+00 a 0 0 0 0 0 623 3.250 38.364 4.471 1 T 7.329e+05 0.00e+00 a 0 0 0 0 0 624 3.153 38.375 4.672 1 T 2.978e+06 0.00e+00 a 0 0 0 0 0 625 3.150 38.386 4.468 1 T 1.398e+06 0.00e+00 a 0 0 0 0 0 626 3.248 38.467 7.278 1 T 6.945e+05 0.00e+00 a 0 0 0 0 0 627 3.152 38.340 7.287 1 T 7.351e+05 0.00e+00 a 0 0 0 0 0 629 3.248 38.424 8.152 1 T 2.021e+06 0.00e+00 a 0 0 0 0 0 630 3.149 38.681 8.144 1 T 3.366e+06 0.00e+00 a 0 0 0 0 0 631 4.024 57.776 0.890 1 T 9.344e+05 0.00e+00 a 0 0 0 0 0 632 4.023 57.489 1.217 1 T 1.257e+06 0.00e+00 a 0 0 0 0 0 635 4.023 57.651 2.137 1 T 2.117e+07 0.00e+00 a 0 0 0 0 0 636 4.025 57.651 2.281 1 T 4.555e+06 0.00e+00 a 0 0 0 0 0 637 4.024 57.651 2.418 1 T 1.401e+07 0.00e+00 a 0 0 0 0 0 638 4.025 57.613 7.152 1 T 7.196e+06 0.00e+00 a 0 0 0 0 0 639 4.023 57.726 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1.735e+06 0.00e+00 a 0 0 0 0 0 660 2.280 34.766 7.128 1 T 1.941e+06 0.00e+00 a 0 0 0 0 0 661 2.268 57.871 8.454 1 T 2.436e+06 0.00e+00 a 0 0 0 0 0 662 1.230 28.837 8.464 1 T 1.294e+06 0.00e+00 a 0 0 0 0 0 663 1.173 28.753 8.462 1 T 1.205e+06 0.00e+00 a 0 0 0 0 0 664 1.176 28.797 7.163 1 T 8.868e+05 0.00e+00 a 0 0 0 0 0 665 1.227 28.677 7.137 1 T 5.016e+05 0.00e+00 a 0 0 0 0 0 666 2.609 42.629 7.169 1 T 9.312e+05 0.00e+00 a 0 0 0 0 0 667 1.233 28.741 2.267 1 T 2.124e+06 0.00e+00 a 0 0 0 0 0 669 1.234 28.625 2.613 1 T 1.218e+06 0.00e+00 a 0 0 0 0 0 670 1.176 28.650 2.274 1 T 2.724e+06 0.00e+00 a 0 0 0 0 0 671 1.178 28.658 2.628 1 T 1.163e+06 0.00e+00 a 0 0 0 0 0 672 2.270 57.885 2.609 1 T 1.613e+06 0.00e+00 a 0 0 0 0 0 673 2.267 57.885 0.947 1 T 2.251e+06 0.00e+00 a 0 0 0 0 0 674 2.269 57.885 1.234 1 T 1.159e+07 0.00e+00 a 0 0 0 0 0 675 2.269 57.885 1.183 1 T 7.998e+06 0.00e+00 a 0 0 0 0 0 676 2.267 57.885 0.858 1 T 1.537e+06 0.00e+00 a 0 0 0 0 0 677 1.235 28.692 0.853 1 T 8.293e+05 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0 0 0 695 3.549 67.334 1.300 1 T 1.231e+07 0.00e+00 a 0 0 0 0 0 696 4.087 69.126 1.303 1 T 1.606e+07 0.00e+00 a 0 0 0 0 0 697 4.087 69.104 3.546 1 T 1.790e+06 0.00e+00 a 0 0 0 0 0 699 1.298 24.289 3.549 1 T 3.868e+06 0.00e+00 a 0 0 0 0 0 700 1.297 24.282 3.232 1 T 1.094e+06 0.00e+00 a 0 0 0 0 0 701 1.298 24.305 3.847 1 T 6.029e+05 0.00e+00 a 0 0 0 0 0 702 1.298 24.334 4.084 1 T 8.721e+06 0.00e+00 a 0 0 0 0 0 703 1.298 24.206 7.034 1 T 1.038e+06 0.00e+00 a 0 0 0 0 0 704 1.298 24.291 9.860 1 T 5.062e+06 0.00e+00 a 0 0 0 0 0 705 1.298 24.229 8.520 1 T 2.197e+06 0.00e+00 a 0 0 0 0 0 706 1.298 24.228 8.182 1 T 6.096e+05 0.00e+00 a 0 0 0 0 0 707 4.086 69.073 8.856 1 T 1.115e+06 0.00e+00 a 0 0 0 0 0 708 4.086 69.045 8.485 1 T 1.766e+06 0.00e+00 a 0 0 0 0 0 709 3.549 67.390 8.876 1 T 7.060e+05 0.00e+00 a 0 0 0 0 0 710 3.548 67.378 8.522 1 T 6.524e+06 0.00e+00 a 0 0 0 0 0 711 3.549 67.363 8.144 1 T 1.520e+06 0.00e+00 a 0 0 0 0 0 712 3.549 67.424 7.171 1 T 8.378e+05 0.00e+00 a 0 0 0 0 0 713 3.548 67.340 2.802 1 T 6.517e+06 0.00e+00 a 0 0 0 0 0 714 3.549 67.325 2.471 1 T 1.504e+07 0.00e+00 a 0 0 0 0 0 716 3.550 67.344 4.082 1 T 2.520e+06 0.00e+00 a 0 0 0 0 0 717 3.548 67.348 4.333 1 T 7.079e+05 0.00e+00 a 0 0 0 0 0 718 3.551 67.348 4.633 1 T 1.645e+06 0.00e+00 a 0 0 0 0 0 719 3.551 67.348 4.760 1 T 1.191e+06 0.00e+00 a 0 0 0 0 0 720 3.929 44.601 4.279 1 T 2.310e+07 0.00e+00 a 0 0 0 0 0 721 4.286 44.589 3.920 1 T 2.561e+07 0.00e+00 a 0 0 0 0 0 722 3.930 44.691 7.549 1 T 2.853e+06 0.00e+00 a 0 0 0 0 0 723 4.285 44.680 7.545 1 T 2.701e+06 0.00e+00 a 0 0 0 0 0 724 3.760 64.113 4.555 1 T 7.876e+06 0.00e+00 a 0 0 0 0 0 725 3.900 64.089 4.551 1 T 6.204e+06 0.00e+00 a 0 0 0 0 0 726 3.760 64.119 3.904 1 T 5.274e+07 0.00e+00 a 0 0 0 0 0 727 3.900 64.098 3.751 1 T 4.465e+07 0.00e+00 a 0 0 0 0 0 728 3.759 64.129 7.536 1 T 1.010e+06 0.00e+00 a 0 0 0 0 0 729 3.900 64.111 7.542 1 T 8.141e+05 0.00e+00 a 0 0 0 0 0 730 3.757 64.151 9.057 1 T 1.498e+06 0.00e+00 a 0 0 0 0 0 731 3.899 64.118 9.047 1 T 1.234e+06 0.00e+00 a 0 0 0 0 0 735 4.552 57.813 9.044 1 T 1.648e+06 0.00e+00 a 0 0 0 0 0 736 4.552 57.813 7.542 1 T 8.504e+05 0.00e+00 a 0 0 0 0 0 737 4.553 57.813 3.896 1 T 5.322e+06 0.00e+00 a 0 0 0 0 0 738 4.552 57.813 3.754 1 T 5.480e+06 0.00e+00 a 0 0 0 0 0 741 3.127 46.677 8.009 1 T 7.900e+05 0.00e+00 a 0 0 0 0 0 742 3.123 46.652 9.044 1 T 1.637e+06 0.00e+00 a 0 0 0 0 0 743 3.123 46.634 7.540 1 T 3.048e+06 0.00e+00 a 0 0 0 0 0 744 2.921 46.717 7.529 1 T 1.701e+06 0.00e+00 a 0 0 0 0 0 745 2.917 46.642 9.059 1 T 1.387e+06 0.00e+00 a 0 0 0 0 0 746 2.913 46.619 8.025 1 T 7.896e+05 0.00e+00 a 0 0 0 0 0 747 3.124 46.640 4.638 1 T 6.936e+05 0.00e+00 a 0 0 0 0 0 748 3.124 46.614 4.807 1 T 5.254e+06 0.00e+00 a 0 0 0 0 0 749 2.917 46.676 4.803 1 T 5.726e+06 0.00e+00 a 0 0 0 0 0 750 2.914 46.582 4.636 1 T 7.728e+05 0.00e+00 a 0 0 0 0 0 751 3.128 46.657 2.164 1 T 4.040e+06 0.00e+00 a 0 0 0 0 0 752 2.920 46.603 2.162 1 T 3.297e+06 0.00e+00 a 0 0 0 0 0 753 2.919 46.650 3.133 1 T 2.551e+07 0.00e+00 a 0 0 0 0 0 754 3.124 46.536 2.924 1 T 2.557e+07 0.00e+00 a 0 0 0 0 0 755 4.124 60.267 0.848 1 T 1.315e+07 0.00e+00 a 0 0 0 0 0 756 4.126 60.241 1.088 1 T 6.350e+06 0.00e+00 a 0 0 0 0 0 757 4.125 60.469 1.717 1 T 2.161e+06 0.00e+00 a 0 0 0 0 0 758 4.125 60.228 1.508 1 T 8.967e+06 0.00e+00 a 0 0 0 0 0 759 4.126 60.387 2.465 1 T 8.321e+05 0.00e+00 a 0 0 0 0 0 760 1.535 39.464 0.827 1 T 1.031e+07 0.00e+00 a 0 0 0 0 0 761 1.534 39.480 1.121 1 T 3.287e+06 0.00e+00 a 0 0 0 0 0 762 1.535 39.519 2.766 1 T 7.408e+06 0.00e+00 a 0 0 0 0 0 763 1.535 39.464 2.536 1 T 2.225e+06 0.00e+00 a 0 0 0 0 0 764 1.535 39.468 4.129 1 T 2.809e+06 0.00e+00 a 0 0 0 0 0 765 1.533 39.473 4.651 1 T 6.048e+05 0.00e+00 a 0 0 0 0 0 766 4.125 60.215 8.910 1 T 6.391e+06 0.00e+00 a 0 0 0 0 0 767 4.125 60.265 8.392 1 T 3.012e+07 0.00e+00 a 0 0 0 0 0 768 1.534 39.466 8.904 1 T 8.658e+06 0.00e+00 a 0 0 0 0 0 769 1.531 39.494 8.401 1 T 8.290e+05 0.00e+00 a 0 0 0 0 0 770 0.768 13.315 8.406 1 T 7.311e+05 0.00e+00 a 0 0 0 0 0 771 0.770 13.029 8.901 1 T 1.278e+06 0.00e+00 a 0 0 0 0 0 772 1.099 26.723 8.897 1 T 1.686e+06 0.00e+00 a 0 0 0 0 0 773 1.493 26.709 8.906 1 T 2.318e+06 0.00e+00 a 0 0 0 0 0 774 0.855 18.177 8.901 1 T 1.743e+06 0.00e+00 a 0 0 0 0 0 775 0.851 18.183 8.412 1 T 3.068e+06 0.00e+00 a 0 0 0 0 0 776 0.772 13.029 4.134 1 T 1.623e+06 0.00e+00 a 0 0 0 0 0 777 1.100 26.724 4.127 1 T 2.398e+06 0.00e+00 a 0 0 0 0 0 778 1.497 26.736 4.135 1 T 1.332e+06 0.00e+00 a 0 0 0 0 0 780 0.853 18.202 4.131 1 T 6.521e+06 0.00e+00 a 0 0 0 0 0 782 1.497 26.744 1.111 1 T 1.310e+07 0.00e+00 a 0 0 0 0 0 783 1.495 26.781 0.781 1 T 4.407e+06 0.00e+00 a 0 0 0 0 0 784 1.096 26.687 0.809 1 T 5.035e+06 0.00e+00 a 0 0 0 0 0 785 1.099 26.637 1.501 1 T 1.924e+07 0.00e+00 a 0 0 0 0 0 786 1.093 26.683 2.465 1 T 6.399e+05 0.00e+00 a 0 0 0 0 0 787 1.494 26.731 2.441 1 T 9.788e+05 0.00e+00 a 0 0 0 0 0 788 0.854 18.189 2.739 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 789 0.853 18.261 2.469 1 T 1.740e+06 0.00e+00 a 0 0 0 0 0 790 0.852 18.274 2.233 1 T 1.563e+06 0.00e+00 a 0 0 0 0 0 796 0.853 18.166 1.783 1 T 2.260e+06 0.00e+00 a 0 0 0 0 0 797 0.854 18.166 1.992 1 T 9.091e+05 0.00e+00 a 0 0 0 0 0 798 0.855 18.314 1.552 1 T 1.433e+07 0.00e+00 a 0 0 0 0 0 799 0.768 13.198 1.522 1 T 1.231e+07 0.00e+00 a 0 0 0 0 0 800 0.770 13.178 2.481 1 T 1.920e+06 0.00e+00 a 0 0 0 0 0 801 0.770 13.029 2.719 1 T 1.160e+06 0.00e+00 a 0 0 0 0 0 802 4.650 54.460 2.466 1 T 1.589e+06 0.00e+00 a 0 0 0 0 0 803 2.461 42.250 4.652 1 T 5.507e+06 0.00e+00 a 0 0 0 0 0 804 2.461 42.229 1.633 1 T 3.415e+06 0.00e+00 a 0 0 0 0 0 805 2.462 42.209 1.313 1 T 1.546e+06 0.00e+00 a 0 0 0 0 0 806 2.459 42.148 1.418 1 T 9.488e+05 0.00e+00 a 0 0 0 0 0 807 3.800 43.310 8.594 1 T 1.060e+06 0.00e+00 a 0 0 0 0 0 809 4.649 56.591 8.033 1 T 1.652e+06 0.00e+00 a 0 0 0 0 0 810 1.758 33.332 8.013 1 T 1.315e+06 0.00e+00 a 0 0 0 0 0 811 1.696 33.217 8.022 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0 812 1.760 33.157 4.648 1 T 1.441e+06 0.00e+00 a 0 0 0 0 0 813 1.696 33.157 4.655 1 T 1.772e+06 0.00e+00 a 0 0 0 0 0 814 4.650 56.476 1.702 1 T 7.865e+05 0.00e+00 a 0 0 0 0 0 815 4.650 56.476 1.760 1 T 1.206e+06 0.00e+00 a 0 0 0 0 0 816 1.758 33.157 8.390 1 T 4.414e+06 0.00e+00 a 0 0 0 0 0 817 1.698 33.157 8.383 1 T 2.966e+06 0.00e+00 a 0 0 0 0 0 818 1.759 33.157 4.132 1 T 5.886e+05 0.00e+00 a 0 0 0 0 0 819 1.761 33.157 4.312 1 T 6.074e+05 0.00e+00 a 0 0 0 0 0 820 1.694 33.157 4.137 1 T 5.270e+05 0.00e+00 a 0 0 0 0 0 821 1.539 29.581 5.307 1 T 5.287e+05 0.00e+00 a 0 0 0 0 0 822 2.321 34.053 7.352 1 T 6.059e+05 0.00e+00 a 0 0 0 0 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-aliphatic . . 13.89 ppm . . . 4.708 . . 30538 3 2 . . C 13 C-aliphatic . . 32 ppm . . . 116 . . 30538 3 3 . . H 1 H . . 13.89 ppm . . . 4.708 . . 30538 3 stop_ save_