data_34430 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34430 _Entry.Title ; NMR solution structure of staphylococcal protein A, C domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-30 _Entry.Accession_date 2019-08-30 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Backlund S. M. . . 34430 2 H. Iwai H. . . . 34430 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 34430 'immune system' . 34430 'immunoglobulin-binding protein' . 34430 'three-helix bundle' . 34430 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34430 spectral_peak_list 2 34430 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 34430 '15N chemical shifts' 68 34430 '1H chemical shifts' 418 34430 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 . . 2020-09-07 . original BMRB . 34430 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SOW 'BMRB Entry Tracking System' 34430 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34430 _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 ; NMR solution structure of staphylococcal protein A, C domain ; _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 S. Backlund S. M. . . 34430 1 2 H. Iwai H. . . . 34430 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34430 _Assembly.ID 1 _Assembly.Name 'Immunoglobulin G binding protein A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34430 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34430 _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 ; SDNKFNKEQQNAFYEILHLP NLTEEQRNGFIQSLKDDPSV SKEILAEAKKLNDAQAPK ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6653.353 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 34430 1 2 . ASP . 34430 1 3 . ASN . 34430 1 4 . LYS . 34430 1 5 . PHE . 34430 1 6 . ASN . 34430 1 7 . LYS . 34430 1 8 . GLU . 34430 1 9 . GLN . 34430 1 10 . GLN . 34430 1 11 . ASN . 34430 1 12 . ALA . 34430 1 13 . PHE . 34430 1 14 . TYR . 34430 1 15 . GLU . 34430 1 16 . ILE . 34430 1 17 . LEU . 34430 1 18 . HIS . 34430 1 19 . LEU . 34430 1 20 . PRO . 34430 1 21 . ASN . 34430 1 22 . LEU . 34430 1 23 . THR . 34430 1 24 . GLU . 34430 1 25 . GLU . 34430 1 26 . GLN . 34430 1 27 . ARG . 34430 1 28 . ASN . 34430 1 29 . GLY . 34430 1 30 . PHE . 34430 1 31 . ILE . 34430 1 32 . GLN . 34430 1 33 . SER . 34430 1 34 . LEU . 34430 1 35 . LYS . 34430 1 36 . ASP . 34430 1 37 . ASP . 34430 1 38 . PRO . 34430 1 39 . SER . 34430 1 40 . VAL . 34430 1 41 . SER . 34430 1 42 . LYS . 34430 1 43 . GLU . 34430 1 44 . ILE . 34430 1 45 . LEU . 34430 1 46 . ALA . 34430 1 47 . GLU . 34430 1 48 . ALA . 34430 1 49 . LYS . 34430 1 50 . LYS . 34430 1 51 . LEU . 34430 1 52 . ASN . 34430 1 53 . ASP . 34430 1 54 . ALA . 34430 1 55 . GLN . 34430 1 56 . ALA . 34430 1 57 . PRO . 34430 1 58 . LYS . 34430 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 . SER 1 1 34430 1 . ASP 2 2 34430 1 . ASN 3 3 34430 1 . LYS 4 4 34430 1 . PHE 5 5 34430 1 . ASN 6 6 34430 1 . LYS 7 7 34430 1 . GLU 8 8 34430 1 . GLN 9 9 34430 1 . GLN 10 10 34430 1 . ASN 11 11 34430 1 . ALA 12 12 34430 1 . PHE 13 13 34430 1 . TYR 14 14 34430 1 . GLU 15 15 34430 1 . ILE 16 16 34430 1 . LEU 17 17 34430 1 . HIS 18 18 34430 1 . LEU 19 19 34430 1 . PRO 20 20 34430 1 . ASN 21 21 34430 1 . LEU 22 22 34430 1 . THR 23 23 34430 1 . GLU 24 24 34430 1 . GLU 25 25 34430 1 . GLN 26 26 34430 1 . ARG 27 27 34430 1 . ASN 28 28 34430 1 . GLY 29 29 34430 1 . PHE 30 30 34430 1 . ILE 31 31 34430 1 . GLN 32 32 34430 1 . SER 33 33 34430 1 . LEU 34 34 34430 1 . LYS 35 35 34430 1 . ASP 36 36 34430 1 . ASP 37 37 34430 1 . PRO 38 38 34430 1 . SER 39 39 34430 1 . VAL 40 40 34430 1 . SER 41 41 34430 1 . LYS 42 42 34430 1 . GLU 43 43 34430 1 . ILE 44 44 34430 1 . LEU 45 45 34430 1 . ALA 46 46 34430 1 . GLU 47 47 34430 1 . ALA 48 48 34430 1 . LYS 49 49 34430 1 . LYS 50 50 34430 1 . LEU 51 51 34430 1 . ASN 52 52 34430 1 . ASP 53 53 34430 1 . ALA 54 54 34430 1 . GLN 55 55 34430 1 . ALA 56 56 34430 1 . PRO 57 57 34430 1 . LYS 58 58 34430 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 34430 _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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . spa . 34430 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 34430 _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' . . 562 Escherichia coli . . . . . . . . . . 34430 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34430 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '5.6 mM [U-20% 13C; U-100% 15N] Protein A C domain, 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 'Protein A C domain' '[U-20% 13C; U-100% 15N]' . . 1 $entity_1 . . 5.6 . . mM . . . . 34430 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34430 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.8 mM [U-20% 13C; U-100% 15N] Protein A C domain, 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 'Protein A C domain' '[U-20% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.8 . . mM . . . . 34430 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34430 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 34430 1 pH 6 . pH 34430 1 pressure 1 . atm 34430 1 temperature 303 . K 34430 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34430 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 34430 2 pH 6 . pH 34430 2 pressure 1 . atm 34430 2 temperature 298 . K 34430 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34430 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34430 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34430 1 . 'peak picking' 34430 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34430 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34430 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34430 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34430 _Software.ID 3 _Software.Type . _Software.Name Amber _Software.Version 14 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34430 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34430 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34430 _Software.ID 4 _Software.Type . _Software.Name PSVS _Software.Version 1.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 34430 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34430 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34430 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version N _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34430 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34430 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 34430 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34430 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 850 . . . 34430 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 34430 _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 . . . . . . . . . . . . . . . . 34430 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 4 '2D CACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 5 '2D CON' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 10 '3D HNCACBi' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 12 '3D HNCOi' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 13 '2D CACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 14 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 15 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 1 16 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34430 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 34430 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34430 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34430 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34430 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 34430 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34430 1 2 '2D 1H-13C HSQC' . . . 34430 1 3 '3D HNCA' . . . 34430 1 4 '2D CACO' . . . 34430 1 5 '2D CON' . . . 34430 1 6 '3D HCCH-COSY' . . . 34430 1 7 '3D 1H-15N NOESY' . . . 34430 1 8 '3D 1H-13C NOESY' . . . 34430 1 9 '2D 1H-15N HSQC' . . . 34430 1 10 '3D HNCACBi' . . . 34430 1 11 '3D HNCO' . . . 34430 1 12 '3D HNCOi' . . . 34430 1 13 '2D CACO' . . . 34430 1 14 '2D CON' . . . 34430 1 15 '3D HCCH-COSY' . . . 34430 1 16 '2D 1H-13C HSQC aromatic' . . . 34430 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 SER C C 13 173.464 0.002 . 1 . . . . A 1 SER C . 34430 1 2 . 1 . 1 1 1 SER CA C 13 57.883 0.000 . 1 . . . . A 1 SER CA . 34430 1 3 . 1 . 1 2 2 ASP HA H 1 4.522 0.001 . 1 . . . . A 2 ASP HA . 34430 1 4 . 1 . 1 2 2 ASP HB2 H 1 2.490 0.004 . 2 . . . . A 2 ASP HB2 . 34430 1 5 . 1 . 1 2 2 ASP HB3 H 1 2.567 0.001 . 2 . . . . A 2 ASP HB3 . 34430 1 6 . 1 . 1 2 2 ASP C C 13 175.545 0.002 . 1 . . . . A 2 ASP C . 34430 1 7 . 1 . 1 2 2 ASP CA C 13 54.201 0.043 . 1 . . . . A 2 ASP CA . 34430 1 8 . 1 . 1 2 2 ASP CB C 13 41.315 0.059 . 1 . . . . A 2 ASP CB . 34430 1 9 . 1 . 1 2 2 ASP CG C 13 179.649 0.000 . 1 . . . . A 2 ASP CG . 34430 1 10 . 1 . 1 2 2 ASP N N 15 122.143 0.000 . 1 . . . . A 2 ASP N . 34430 1 11 . 1 . 1 3 3 ASN HA H 1 4.477 0.002 . 1 . . . . A 3 ASN HA . 34430 1 12 . 1 . 1 3 3 ASN HB2 H 1 2.499 0.002 . 2 . . . . A 3 ASN HB2 . 34430 1 13 . 1 . 1 3 3 ASN HB3 H 1 2.499 0.002 . 2 . . . . A 3 ASN HB3 . 34430 1 14 . 1 . 1 3 3 ASN HD21 H 1 7.424 0.000 . 2 . . . . A 3 ASN HD21 . 34430 1 15 . 1 . 1 3 3 ASN HD22 H 1 6.782 0.000 . 2 . . . . A 3 ASN HD22 . 34430 1 16 . 1 . 1 3 3 ASN C C 13 174.799 0.004 . 1 . . . . A 3 ASN C . 34430 1 17 . 1 . 1 3 3 ASN CA C 13 53.356 0.049 . 1 . . . . A 3 ASN CA . 34430 1 18 . 1 . 1 3 3 ASN CB C 13 38.688 0.013 . 1 . . . . A 3 ASN CB . 34430 1 19 . 1 . 1 3 3 ASN CG C 13 176.688 0.000 . 1 . . . . A 3 ASN CG . 34430 1 20 . 1 . 1 3 3 ASN N N 15 119.328 0.000 . 1 . . . . A 3 ASN N . 34430 1 21 . 1 . 1 3 3 ASN ND2 N 15 112.841 0.023 . 1 . . . . A 3 ASN ND2 . 34430 1 22 . 1 . 1 4 4 LYS H H 1 8.177 0.000 . 1 . . . . A 4 LYS H . 34430 1 23 . 1 . 1 4 4 LYS HA H 1 4.075 0.002 . 1 . . . . A 4 LYS HA . 34430 1 24 . 1 . 1 4 4 LYS HB2 H 1 1.548 0.001 . 2 . . . . A 4 LYS HB2 . 34430 1 25 . 1 . 1 4 4 LYS HB3 H 1 1.594 0.001 . 2 . . . . A 4 LYS HB3 . 34430 1 26 . 1 . 1 4 4 LYS HG2 H 1 1.143 0.001 . 2 . . . . A 4 LYS HG2 . 34430 1 27 . 1 . 1 4 4 LYS HG3 H 1 1.143 0.001 . 2 . . . . A 4 LYS HG3 . 34430 1 28 . 1 . 1 4 4 LYS HD2 H 1 1.511 0.001 . 2 . . . . A 4 LYS HD2 . 34430 1 29 . 1 . 1 4 4 LYS HD3 H 1 1.511 0.001 . 2 . . . . A 4 LYS HD3 . 34430 1 30 . 1 . 1 4 4 LYS HE2 H 1 2.862 0.000 . 2 . . . . A 4 LYS HE2 . 34430 1 31 . 1 . 1 4 4 LYS HE3 H 1 2.857 0.005 . 2 . . . . A 4 LYS HE3 . 34430 1 32 . 1 . 1 4 4 LYS C C 13 176.101 0.005 . 1 . . . . A 4 LYS C . 34430 1 33 . 1 . 1 4 4 LYS CA C 13 56.462 0.041 . 1 . . . . A 4 LYS CA . 34430 1 34 . 1 . 1 4 4 LYS CB C 13 32.420 0.012 . 1 . . . . A 4 LYS CB . 34430 1 35 . 1 . 1 4 4 LYS CG C 13 24.465 0.021 . 1 . . . . A 4 LYS CG . 34430 1 36 . 1 . 1 4 4 LYS CD C 13 28.942 0.000 . 1 . . . . A 4 LYS CD . 34430 1 37 . 1 . 1 4 4 LYS CE C 13 42.041 0.000 . 1 . . . . A 4 LYS CE . 34430 1 38 . 1 . 1 4 4 LYS N N 15 121.245 0.015 . 1 . . . . A 4 LYS N . 34430 1 39 . 1 . 1 5 5 PHE H H 1 8.026 0.000 . 1 . . . . A 5 PHE H . 34430 1 40 . 1 . 1 5 5 PHE HA H 1 4.878 0.001 . 1 . . . . A 5 PHE HA . 34430 1 41 . 1 . 1 5 5 PHE HB2 H 1 3.227 0.002 . 2 . . . . A 5 PHE HB2 . 34430 1 42 . 1 . 1 5 5 PHE HB3 H 1 2.925 0.002 . 2 . . . . A 5 PHE HB3 . 34430 1 43 . 1 . 1 5 5 PHE HD1 H 1 7.064 0.000 . 1 . . . . A 5 PHE HD1 . 34430 1 44 . 1 . 1 5 5 PHE HD2 H 1 7.064 0.000 . 1 . . . . A 5 PHE HD2 . 34430 1 45 . 1 . 1 5 5 PHE HE1 H 1 7.026 0.000 . 1 . . . . A 5 PHE HE1 . 34430 1 46 . 1 . 1 5 5 PHE HE2 H 1 7.026 0.000 . 1 . . . . A 5 PHE HE2 . 34430 1 47 . 1 . 1 5 5 PHE C C 13 176.320 0.009 . 1 . . . . A 5 PHE C . 34430 1 48 . 1 . 1 5 5 PHE CA C 13 55.781 0.049 . 1 . . . . A 5 PHE CA . 34430 1 49 . 1 . 1 5 5 PHE CB C 13 39.735 0.028 . 1 . . . . A 5 PHE CB . 34430 1 50 . 1 . 1 5 5 PHE CD2 C 13 130.855 0.000 . 1 . . . . A 5 PHE CD2 . 34430 1 51 . 1 . 1 5 5 PHE CE2 C 13 131.281 0.000 . 1 . . . . A 5 PHE CE2 . 34430 1 52 . 1 . 1 5 5 PHE N N 15 119.787 0.005 . 1 . . . . A 5 PHE N . 34430 1 53 . 1 . 1 6 6 ASN H H 1 8.421 0.000 . 1 . . . . A 6 ASN H . 34430 1 54 . 1 . 1 6 6 ASN HA H 1 4.623 0.001 . 1 . . . . A 6 ASN HA . 34430 1 55 . 1 . 1 6 6 ASN HB2 H 1 2.853 0.002 . 2 . . . . A 6 ASN HB2 . 34430 1 56 . 1 . 1 6 6 ASN HB3 H 1 3.145 0.001 . 2 . . . . A 6 ASN HB3 . 34430 1 57 . 1 . 1 6 6 ASN HD21 H 1 7.472 0.000 . 2 . . . . A 6 ASN HD21 . 34430 1 58 . 1 . 1 6 6 ASN HD22 H 1 6.876 0.000 . 2 . . . . A 6 ASN HD22 . 34430 1 59 . 1 . 1 6 6 ASN C C 13 175.318 0.001 . 1 . . . . A 6 ASN C . 34430 1 60 . 1 . 1 6 6 ASN CA C 13 52.284 0.009 . 1 . . . . A 6 ASN CA . 34430 1 61 . 1 . 1 6 6 ASN CB C 13 38.232 0.012 . 1 . . . . A 6 ASN CB . 34430 1 62 . 1 . 1 6 6 ASN CG C 13 175.393 0.010 . 1 . . . . A 6 ASN CG . 34430 1 63 . 1 . 1 6 6 ASN N N 15 120.990 0.016 . 1 . . . . A 6 ASN N . 34430 1 64 . 1 . 1 6 6 ASN ND2 N 15 110.850 0.013 . 1 . . . . A 6 ASN ND2 . 34430 1 65 . 1 . 1 7 7 LYS H H 1 8.293 0.000 . 1 . . . . A 7 LYS H . 34430 1 66 . 1 . 1 7 7 LYS HA H 1 4.010 0.002 . 1 . . . . A 7 LYS HA . 34430 1 67 . 1 . 1 7 7 LYS HB2 H 1 1.863 0.003 . 2 . . . . A 7 LYS HB2 . 34430 1 68 . 1 . 1 7 7 LYS HB3 H 1 1.863 0.003 . 2 . . . . A 7 LYS HB3 . 34430 1 69 . 1 . 1 7 7 LYS HG2 H 1 1.520 0.003 . 2 . . . . A 7 LYS HG2 . 34430 1 70 . 1 . 1 7 7 LYS HG3 H 1 1.311 0.003 . 2 . . . . A 7 LYS HG3 . 34430 1 71 . 1 . 1 7 7 LYS HD2 H 1 1.630 0.002 . 2 . . . . A 7 LYS HD2 . 34430 1 72 . 1 . 1 7 7 LYS HD3 H 1 1.630 0.002 . 2 . . . . A 7 LYS HD3 . 34430 1 73 . 1 . 1 7 7 LYS HE2 H 1 2.871 0.001 . 2 . . . . A 7 LYS HE2 . 34430 1 74 . 1 . 1 7 7 LYS HE3 H 1 2.871 0.001 . 2 . . . . A 7 LYS HE3 . 34430 1 75 . 1 . 1 7 7 LYS C C 13 177.995 0.001 . 1 . . . . A 7 LYS C . 34430 1 76 . 1 . 1 7 7 LYS CA C 13 59.671 0.054 . 1 . . . . A 7 LYS CA . 34430 1 77 . 1 . 1 7 7 LYS CB C 13 32.433 0.022 . 1 . . . . A 7 LYS CB . 34430 1 78 . 1 . 1 7 7 LYS CG C 13 24.931 0.023 . 1 . . . . A 7 LYS CG . 34430 1 79 . 1 . 1 7 7 LYS CD C 13 29.567 0.037 . 1 . . . . A 7 LYS CD . 34430 1 80 . 1 . 1 7 7 LYS CE C 13 41.919 0.000 . 1 . . . . A 7 LYS CE . 34430 1 81 . 1 . 1 7 7 LYS N N 15 119.624 0.013 . 1 . . . . A 7 LYS N . 34430 1 82 . 1 . 1 8 8 GLU H H 1 8.180 0.000 . 1 . . . . A 8 GLU H . 34430 1 83 . 1 . 1 8 8 GLU HA H 1 4.008 0.002 . 1 . . . . A 8 GLU HA . 34430 1 84 . 1 . 1 8 8 GLU HB2 H 1 1.963 0.002 . 2 . . . . A 8 GLU HB2 . 34430 1 85 . 1 . 1 8 8 GLU HB3 H 1 2.034 0.003 . 2 . . . . A 8 GLU HB3 . 34430 1 86 . 1 . 1 8 8 GLU HG2 H 1 2.229 0.002 . 2 . . . . A 8 GLU HG2 . 34430 1 87 . 1 . 1 8 8 GLU HG3 H 1 2.229 0.002 . 2 . . . . A 8 GLU HG3 . 34430 1 88 . 1 . 1 8 8 GLU C C 13 179.536 0.000 . 1 . . . . A 8 GLU C . 34430 1 89 . 1 . 1 8 8 GLU CA C 13 59.575 0.022 . 1 . . . . A 8 GLU CA . 34430 1 90 . 1 . 1 8 8 GLU CB C 13 29.116 0.040 . 1 . . . . A 8 GLU CB . 34430 1 91 . 1 . 1 8 8 GLU CG C 13 36.561 0.016 . 1 . . . . A 8 GLU CG . 34430 1 92 . 1 . 1 8 8 GLU N N 15 119.667 0.008 . 1 . . . . A 8 GLU N . 34430 1 93 . 1 . 1 9 9 GLN H H 1 8.445 0.000 . 1 . . . . A 9 GLN H . 34430 1 94 . 1 . 1 9 9 GLN HA H 1 3.769 0.001 . 1 . . . . A 9 GLN HA . 34430 1 95 . 1 . 1 9 9 GLN HB2 H 1 1.590 0.002 . 2 . . . . A 9 GLN HB2 . 34430 1 96 . 1 . 1 9 9 GLN HB3 H 1 2.081 0.004 . 2 . . . . A 9 GLN HB3 . 34430 1 97 . 1 . 1 9 9 GLN HG2 H 1 2.331 0.002 . 2 . . . . A 9 GLN HG2 . 34430 1 98 . 1 . 1 9 9 GLN HG3 H 1 2.244 0.002 . 2 . . . . A 9 GLN HG3 . 34430 1 99 . 1 . 1 9 9 GLN HE21 H 1 7.055 0.000 . 2 . . . . A 9 GLN HE21 . 34430 1 100 . 1 . 1 9 9 GLN HE22 H 1 7.272 0.000 . 2 . . . . A 9 GLN HE22 . 34430 1 101 . 1 . 1 9 9 GLN C C 13 177.040 0.002 . 1 . . . . A 9 GLN C . 34430 1 102 . 1 . 1 9 9 GLN CA C 13 58.754 0.048 . 1 . . . . A 9 GLN CA . 34430 1 103 . 1 . 1 9 9 GLN CB C 13 27.929 0.030 . 1 . . . . A 9 GLN CB . 34430 1 104 . 1 . 1 9 9 GLN CG C 13 33.908 0.041 . 1 . . . . A 9 GLN CG . 34430 1 105 . 1 . 1 9 9 GLN CD C 13 179.331 0.007 . 1 . . . . A 9 GLN CD . 34430 1 106 . 1 . 1 9 9 GLN N N 15 121.254 0.020 . 1 . . . . A 9 GLN N . 34430 1 107 . 1 . 1 9 9 GLN NE2 N 15 112.083 0.017 . 1 . . . . A 9 GLN NE2 . 34430 1 108 . 1 . 1 10 10 GLN H H 1 8.509 0.000 . 1 . . . . A 10 GLN H . 34430 1 109 . 1 . 1 10 10 GLN HA H 1 3.883 0.000 . 1 . . . . A 10 GLN HA . 34430 1 110 . 1 . 1 10 10 GLN HB2 H 1 2.104 0.003 . 2 . . . . A 10 GLN HB2 . 34430 1 111 . 1 . 1 10 10 GLN HB3 H 1 2.104 0.003 . 2 . . . . A 10 GLN HB3 . 34430 1 112 . 1 . 1 10 10 GLN HG2 H 1 2.365 0.002 . 2 . . . . A 10 GLN HG2 . 34430 1 113 . 1 . 1 10 10 GLN HG3 H 1 2.365 0.002 . 2 . . . . A 10 GLN HG3 . 34430 1 114 . 1 . 1 10 10 GLN HE21 H 1 7.145 0.000 . 2 . . . . A 10 GLN HE21 . 34430 1 115 . 1 . 1 10 10 GLN HE22 H 1 6.789 0.000 . 2 . . . . A 10 GLN HE22 . 34430 1 116 . 1 . 1 10 10 GLN C C 13 178.089 0.001 . 1 . . . . A 10 GLN C . 34430 1 117 . 1 . 1 10 10 GLN CA C 13 58.767 0.047 . 1 . . . . A 10 GLN CA . 34430 1 118 . 1 . 1 10 10 GLN CB C 13 28.539 0.001 . 1 . . . . A 10 GLN CB . 34430 1 119 . 1 . 1 10 10 GLN CG C 13 33.936 0.038 . 1 . . . . A 10 GLN CG . 34430 1 120 . 1 . 1 10 10 GLN CD C 13 179.620 0.007 . 1 . . . . A 10 GLN CD . 34430 1 121 . 1 . 1 10 10 GLN N N 15 118.740 0.028 . 1 . . . . A 10 GLN N . 34430 1 122 . 1 . 1 10 10 GLN NE2 N 15 111.797 0.021 . 1 . . . . A 10 GLN NE2 . 34430 1 123 . 1 . 1 11 11 ASN H H 1 8.242 0.000 . 1 . . . . A 11 ASN H . 34430 1 124 . 1 . 1 11 11 ASN HA H 1 4.516 0.002 . 1 . . . . A 11 ASN HA . 34430 1 125 . 1 . 1 11 11 ASN HB2 H 1 2.822 0.003 . 2 . . . . A 11 ASN HB2 . 34430 1 126 . 1 . 1 11 11 ASN HB3 H 1 2.822 0.003 . 2 . . . . A 11 ASN HB3 . 34430 1 127 . 1 . 1 11 11 ASN HD21 H 1 6.953 0.000 . 2 . . . . A 11 ASN HD21 . 34430 1 128 . 1 . 1 11 11 ASN HD22 H 1 7.640 0.000 . 2 . . . . A 11 ASN HD22 . 34430 1 129 . 1 . 1 11 11 ASN C C 13 177.072 0.004 . 1 . . . . A 11 ASN C . 34430 1 130 . 1 . 1 11 11 ASN CA C 13 56.046 0.045 . 1 . . . . A 11 ASN CA . 34430 1 131 . 1 . 1 11 11 ASN CB C 13 38.176 0.024 . 1 . . . . A 11 ASN CB . 34430 1 132 . 1 . 1 11 11 ASN CG C 13 175.830 0.014 . 1 . . . . A 11 ASN CG . 34430 1 133 . 1 . 1 11 11 ASN N N 15 118.035 0.000 . 1 . . . . A 11 ASN N . 34430 1 134 . 1 . 1 11 11 ASN ND2 N 15 112.278 0.016 . 1 . . . . A 11 ASN ND2 . 34430 1 135 . 1 . 1 12 12 ALA H H 1 7.836 0.000 . 1 . . . . A 12 ALA H . 34430 1 136 . 1 . 1 12 12 ALA HA H 1 4.026 0.001 . 1 . . . . A 12 ALA HA . 34430 1 137 . 1 . 1 12 12 ALA HB1 H 1 1.370 0.002 . 1 . . . . A 12 ALA HB1 . 34430 1 138 . 1 . 1 12 12 ALA HB2 H 1 1.370 0.002 . 1 . . . . A 12 ALA HB2 . 34430 1 139 . 1 . 1 12 12 ALA HB3 H 1 1.370 0.002 . 1 . . . . A 12 ALA HB3 . 34430 1 140 . 1 . 1 12 12 ALA C C 13 177.986 0.000 . 1 . . . . A 12 ALA C . 34430 1 141 . 1 . 1 12 12 ALA CA C 13 55.407 0.034 . 1 . . . . A 12 ALA CA . 34430 1 142 . 1 . 1 12 12 ALA CB C 13 18.273 0.045 . 1 . . . . A 12 ALA CB . 34430 1 143 . 1 . 1 12 12 ALA N N 15 122.725 0.017 . 1 . . . . A 12 ALA N . 34430 1 144 . 1 . 1 13 13 PHE H H 1 8.136 0.000 . 1 . . . . A 13 PHE H . 34430 1 145 . 1 . 1 13 13 PHE HA H 1 3.796 0.002 . 1 . . . . A 13 PHE HA . 34430 1 146 . 1 . 1 13 13 PHE HB2 H 1 2.920 0.004 . 2 . . . . A 13 PHE HB2 . 34430 1 147 . 1 . 1 13 13 PHE HB3 H 1 3.196 0.002 . 2 . . . . A 13 PHE HB3 . 34430 1 148 . 1 . 1 13 13 PHE HD1 H 1 6.941 0.000 . 1 . . . . A 13 PHE HD1 . 34430 1 149 . 1 . 1 13 13 PHE HD2 H 1 6.941 0.000 . 1 . . . . A 13 PHE HD2 . 34430 1 150 . 1 . 1 13 13 PHE HE1 H 1 7.166 0.000 . 1 . . . . A 13 PHE HE1 . 34430 1 151 . 1 . 1 13 13 PHE HE2 H 1 7.166 0.000 . 1 . . . . A 13 PHE HE2 . 34430 1 152 . 1 . 1 13 13 PHE C C 13 176.071 0.002 . 1 . . . . A 13 PHE C . 34430 1 153 . 1 . 1 13 13 PHE CA C 13 60.743 0.085 . 1 . . . . A 13 PHE CA . 34430 1 154 . 1 . 1 13 13 PHE CB C 13 38.841 0.050 . 1 . . . . A 13 PHE CB . 34430 1 155 . 1 . 1 13 13 PHE CD1 C 13 131.382 0.000 . 1 . . . . A 13 PHE CD1 . 34430 1 156 . 1 . 1 13 13 PHE CE2 C 13 131.415 0.000 . 1 . . . . A 13 PHE CE2 . 34430 1 157 . 1 . 1 13 13 PHE N N 15 117.781 0.001 . 1 . . . . A 13 PHE N . 34430 1 158 . 1 . 1 14 14 TYR H H 1 7.983 0.000 . 1 . . . . A 14 TYR H . 34430 1 159 . 1 . 1 14 14 TYR HA H 1 3.891 0.002 . 1 . . . . A 14 TYR HA . 34430 1 160 . 1 . 1 14 14 TYR HB2 H 1 3.109 0.002 . 2 . . . . A 14 TYR HB2 . 34430 1 161 . 1 . 1 14 14 TYR HB3 H 1 3.139 0.002 . 2 . . . . A 14 TYR HB3 . 34430 1 162 . 1 . 1 14 14 TYR HD1 H 1 7.074 0.000 . 1 . . . . A 14 TYR HD1 . 34430 1 163 . 1 . 1 14 14 TYR HD2 H 1 7.074 0.000 . 1 . . . . A 14 TYR HD2 . 34430 1 164 . 1 . 1 14 14 TYR HE1 H 1 6.656 0.000 . 1 . . . . A 14 TYR HE1 . 34430 1 165 . 1 . 1 14 14 TYR HE2 H 1 6.656 0.000 . 1 . . . . A 14 TYR HE2 . 34430 1 166 . 1 . 1 14 14 TYR C C 13 178.273 0.000 . 1 . . . . A 14 TYR C . 34430 1 167 . 1 . 1 14 14 TYR CA C 13 61.998 0.052 . 1 . . . . A 14 TYR CA . 34430 1 168 . 1 . 1 14 14 TYR CB C 13 38.170 0.017 . 1 . . . . A 14 TYR CB . 34430 1 169 . 1 . 1 14 14 TYR CD2 C 13 133.227 0.000 . 1 . . . . A 14 TYR CD2 . 34430 1 170 . 1 . 1 14 14 TYR CE2 C 13 118.209 0.000 . 1 . . . . A 14 TYR CE2 . 34430 1 171 . 1 . 1 14 14 TYR N N 15 117.089 0.017 . 1 . . . . A 14 TYR N . 34430 1 172 . 1 . 1 15 15 GLU H H 1 8.307 0.000 . 1 . . . . A 15 GLU H . 34430 1 173 . 1 . 1 15 15 GLU HA H 1 3.911 0.002 . 1 . . . . A 15 GLU HA . 34430 1 174 . 1 . 1 15 15 GLU HB2 H 1 1.929 0.002 . 2 . . . . A 15 GLU HB2 . 34430 1 175 . 1 . 1 15 15 GLU HB3 H 1 2.066 0.001 . 2 . . . . A 15 GLU HB3 . 34430 1 176 . 1 . 1 15 15 GLU HG2 H 1 2.371 0.001 . 2 . . . . A 15 GLU HG2 . 34430 1 177 . 1 . 1 15 15 GLU HG3 H 1 2.112 0.003 . 2 . . . . A 15 GLU HG3 . 34430 1 178 . 1 . 1 15 15 GLU C C 13 179.980 0.003 . 1 . . . . A 15 GLU C . 34430 1 179 . 1 . 1 15 15 GLU CA C 13 60.334 0.006 . 1 . . . . A 15 GLU CA . 34430 1 180 . 1 . 1 15 15 GLU CB C 13 29.742 0.024 . 1 . . . . A 15 GLU CB . 34430 1 181 . 1 . 1 15 15 GLU CG C 13 36.703 0.060 . 1 . . . . A 15 GLU CG . 34430 1 182 . 1 . 1 15 15 GLU CD C 13 182.169 0.000 . 1 . . . . A 15 GLU CD . 34430 1 183 . 1 . 1 15 15 GLU N N 15 118.958 0.003 . 1 . . . . A 15 GLU N . 34430 1 184 . 1 . 1 16 16 ILE H H 1 8.268 0.000 . 1 . . . . A 16 ILE H . 34430 1 185 . 1 . 1 16 16 ILE HA H 1 3.366 0.003 . 1 . . . . A 16 ILE HA . 34430 1 186 . 1 . 1 16 16 ILE HB H 1 1.767 0.001 . 1 . . . . A 16 ILE HB . 34430 1 187 . 1 . 1 16 16 ILE HG12 H 1 0.616 0.002 . 2 . . . . A 16 ILE HG12 . 34430 1 188 . 1 . 1 16 16 ILE HG13 H 1 1.698 0.000 . 2 . . . . A 16 ILE HG13 . 34430 1 189 . 1 . 1 16 16 ILE HG21 H 1 0.770 0.003 . 1 . . . . A 16 ILE HG21 . 34430 1 190 . 1 . 1 16 16 ILE HG22 H 1 0.770 0.003 . 1 . . . . A 16 ILE HG22 . 34430 1 191 . 1 . 1 16 16 ILE HG23 H 1 0.770 0.003 . 1 . . . . A 16 ILE HG23 . 34430 1 192 . 1 . 1 16 16 ILE HD11 H 1 0.479 0.001 . 1 . . . . A 16 ILE HD11 . 34430 1 193 . 1 . 1 16 16 ILE HD12 H 1 0.479 0.001 . 1 . . . . A 16 ILE HD12 . 34430 1 194 . 1 . 1 16 16 ILE HD13 H 1 0.479 0.001 . 1 . . . . A 16 ILE HD13 . 34430 1 195 . 1 . 1 16 16 ILE C C 13 177.717 0.023 . 1 . . . . A 16 ILE C . 34430 1 196 . 1 . 1 16 16 ILE CA C 13 65.101 0.050 . 1 . . . . A 16 ILE CA . 34430 1 197 . 1 . 1 16 16 ILE CB C 13 37.366 0.000 . 1 . . . . A 16 ILE CB . 34430 1 198 . 1 . 1 16 16 ILE CG1 C 13 30.036 0.011 . 1 . . . . A 16 ILE CG1 . 34430 1 199 . 1 . 1 16 16 ILE CG2 C 13 18.346 0.021 . 1 . . . . A 16 ILE CG2 . 34430 1 200 . 1 . 1 16 16 ILE CD1 C 13 13.733 0.031 . 1 . . . . A 16 ILE CD1 . 34430 1 201 . 1 . 1 16 16 ILE N N 15 119.275 0.006 . 1 . . . . A 16 ILE N . 34430 1 202 . 1 . 1 17 17 LEU H H 1 7.898 0.000 . 1 . . . . A 17 LEU H . 34430 1 203 . 1 . 1 17 17 LEU HA H 1 3.618 0.002 . 1 . . . . A 17 LEU HA . 34430 1 204 . 1 . 1 17 17 LEU HB2 H 1 1.043 0.002 . 2 . . . . A 17 LEU HB2 . 34430 1 205 . 1 . 1 17 17 LEU HB3 H 1 1.409 0.004 . 2 . . . . A 17 LEU HB3 . 34430 1 206 . 1 . 1 17 17 LEU HG H 1 1.304 0.003 . 1 . . . . A 17 LEU HG . 34430 1 207 . 1 . 1 17 17 LEU HD11 H 1 0.521 0.002 . 2 . . . . A 17 LEU HD11 . 34430 1 208 . 1 . 1 17 17 LEU HD12 H 1 0.521 0.002 . 2 . . . . A 17 LEU HD12 . 34430 1 209 . 1 . 1 17 17 LEU HD13 H 1 0.521 0.002 . 2 . . . . A 17 LEU HD13 . 34430 1 210 . 1 . 1 17 17 LEU HD21 H 1 0.577 0.002 . 2 . . . . A 17 LEU HD21 . 34430 1 211 . 1 . 1 17 17 LEU HD22 H 1 0.577 0.002 . 2 . . . . A 17 LEU HD22 . 34430 1 212 . 1 . 1 17 17 LEU HD23 H 1 0.577 0.002 . 2 . . . . A 17 LEU HD23 . 34430 1 213 . 1 . 1 17 17 LEU C C 13 176.729 0.002 . 1 . . . . A 17 LEU C . 34430 1 214 . 1 . 1 17 17 LEU CA C 13 57.351 0.043 . 1 . . . . A 17 LEU CA . 34430 1 215 . 1 . 1 17 17 LEU CB C 13 41.777 0.021 . 1 . . . . A 17 LEU CB . 34430 1 216 . 1 . 1 17 17 LEU CG C 13 26.499 0.012 . 1 . . . . A 17 LEU CG . 34430 1 217 . 1 . 1 17 17 LEU CD1 C 13 24.658 0.023 . 1 . . . . A 17 LEU CD1 . 34430 1 218 . 1 . 1 17 17 LEU CD2 C 13 23.453 0.049 . 1 . . . . A 17 LEU CD2 . 34430 1 219 . 1 . 1 17 17 LEU N N 15 118.123 0.009 . 1 . . . . A 17 LEU N . 34430 1 220 . 1 . 1 18 18 HIS H H 1 7.104 0.000 . 1 . . . . A 18 HIS H . 34430 1 221 . 1 . 1 18 18 HIS HA H 1 4.366 0.004 . 1 . . . . A 18 HIS HA . 34430 1 222 . 1 . 1 18 18 HIS HB2 H 1 3.327 0.000 . 2 . . . . A 18 HIS HB2 . 34430 1 223 . 1 . 1 18 18 HIS HB3 H 1 2.660 0.001 . 2 . . . . A 18 HIS HB3 . 34430 1 224 . 1 . 1 18 18 HIS HD2 H 1 6.865 0.000 . 1 . . . . A 18 HIS HD2 . 34430 1 225 . 1 . 1 18 18 HIS HE1 H 1 7.854 0.000 . 1 . . . . A 18 HIS HE1 . 34430 1 226 . 1 . 1 18 18 HIS C C 13 174.595 0.003 . 1 . . . . A 18 HIS C . 34430 1 227 . 1 . 1 18 18 HIS CA C 13 56.245 0.088 . 1 . . . . A 18 HIS CA . 34430 1 228 . 1 . 1 18 18 HIS CB C 13 29.663 0.002 . 1 . . . . A 18 HIS CB . 34430 1 229 . 1 . 1 18 18 HIS CD2 C 13 120.787 0.000 . 1 . . . . A 18 HIS CD2 . 34430 1 230 . 1 . 1 18 18 HIS CE1 C 13 136.659 0.000 . 1 . . . . A 18 HIS CE1 . 34430 1 231 . 1 . 1 18 18 HIS N N 15 112.304 0.027 . 1 . . . . A 18 HIS N . 34430 1 232 . 1 . 1 19 19 LEU H H 1 7.135 0.000 . 1 . . . . A 19 LEU H . 34430 1 233 . 1 . 1 19 19 LEU HA H 1 4.446 0.003 . 1 . . . . A 19 LEU HA . 34430 1 234 . 1 . 1 19 19 LEU HB2 H 1 1.275 0.003 . 2 . . . . A 19 LEU HB2 . 34430 1 235 . 1 . 1 19 19 LEU HB3 H 1 1.695 0.003 . 2 . . . . A 19 LEU HB3 . 34430 1 236 . 1 . 1 19 19 LEU HG H 1 2.127 0.003 . 1 . . . . A 19 LEU HG . 34430 1 237 . 1 . 1 19 19 LEU HD11 H 1 0.621 0.001 . 2 . . . . A 19 LEU HD11 . 34430 1 238 . 1 . 1 19 19 LEU HD12 H 1 0.621 0.001 . 2 . . . . A 19 LEU HD12 . 34430 1 239 . 1 . 1 19 19 LEU HD13 H 1 0.621 0.001 . 2 . . . . A 19 LEU HD13 . 34430 1 240 . 1 . 1 19 19 LEU HD21 H 1 0.789 0.002 . 2 . . . . A 19 LEU HD21 . 34430 1 241 . 1 . 1 19 19 LEU HD22 H 1 0.789 0.002 . 2 . . . . A 19 LEU HD22 . 34430 1 242 . 1 . 1 19 19 LEU HD23 H 1 0.789 0.002 . 2 . . . . A 19 LEU HD23 . 34430 1 243 . 1 . 1 19 19 LEU C C 13 177.202 0.003 . 1 . . . . A 19 LEU C . 34430 1 244 . 1 . 1 19 19 LEU CA C 13 53.245 0.037 . 1 . . . . A 19 LEU CA . 34430 1 245 . 1 . 1 19 19 LEU CB C 13 40.332 0.021 . 1 . . . . A 19 LEU CB . 34430 1 246 . 1 . 1 19 19 LEU CG C 13 25.237 0.013 . 1 . . . . A 19 LEU CG . 34430 1 247 . 1 . 1 19 19 LEU CD1 C 13 27.196 0.000 . 1 . . . . A 19 LEU CD1 . 34430 1 248 . 1 . 1 19 19 LEU CD2 C 13 23.386 0.023 . 1 . . . . A 19 LEU CD2 . 34430 1 249 . 1 . 1 19 19 LEU N N 15 124.385 0.016 . 1 . . . . A 19 LEU N . 34430 1 250 . 1 . 1 20 20 PRO HA H 1 4.342 0.002 . 1 . . . . A 20 PRO HA . 34430 1 251 . 1 . 1 20 20 PRO HB2 H 1 2.218 0.001 . 2 . . . . A 20 PRO HB2 . 34430 1 252 . 1 . 1 20 20 PRO HB3 H 1 1.900 0.003 . 2 . . . . A 20 PRO HB3 . 34430 1 253 . 1 . 1 20 20 PRO HG2 H 1 1.953 0.002 . 2 . . . . A 20 PRO HG2 . 34430 1 254 . 1 . 1 20 20 PRO HG3 H 1 2.086 0.001 . 2 . . . . A 20 PRO HG3 . 34430 1 255 . 1 . 1 20 20 PRO HD2 H 1 3.746 0.002 . 2 . . . . A 20 PRO HD2 . 34430 1 256 . 1 . 1 20 20 PRO HD3 H 1 3.999 0.001 . 2 . . . . A 20 PRO HD3 . 34430 1 257 . 1 . 1 20 20 PRO C C 13 177.839 0.011 . 1 . . . . A 20 PRO C . 34430 1 258 . 1 . 1 20 20 PRO CA C 13 65.025 0.047 . 1 . . . . A 20 PRO CA . 34430 1 259 . 1 . 1 20 20 PRO CB C 13 32.572 0.016 . 1 . . . . A 20 PRO CB . 34430 1 260 . 1 . 1 20 20 PRO CG C 13 27.137 0.000 . 1 . . . . A 20 PRO CG . 34430 1 261 . 1 . 1 20 20 PRO CD C 13 51.397 0.012 . 1 . . . . A 20 PRO CD . 34430 1 262 . 1 . 1 20 20 PRO N N 15 135.831 0.000 . 1 . . . . A 20 PRO N . 34430 1 263 . 1 . 1 21 21 ASN H H 1 8.820 0.000 . 1 . . . . A 21 ASN H . 34430 1 264 . 1 . 1 21 21 ASN HA H 1 4.940 0.001 . 1 . . . . A 21 ASN HA . 34430 1 265 . 1 . 1 21 21 ASN HB2 H 1 2.823 0.002 . 2 . . . . A 21 ASN HB2 . 34430 1 266 . 1 . 1 21 21 ASN HB3 H 1 2.823 0.002 . 2 . . . . A 21 ASN HB3 . 34430 1 267 . 1 . 1 21 21 ASN HD21 H 1 7.376 0.000 . 2 . . . . A 21 ASN HD21 . 34430 1 268 . 1 . 1 21 21 ASN HD22 H 1 6.919 0.000 . 2 . . . . A 21 ASN HD22 . 34430 1 269 . 1 . 1 21 21 ASN C C 13 175.534 0.003 . 1 . . . . A 21 ASN C . 34430 1 270 . 1 . 1 21 21 ASN CA C 13 52.655 0.030 . 1 . . . . A 21 ASN CA . 34430 1 271 . 1 . 1 21 21 ASN CB C 13 38.747 0.010 . 1 . . . . A 21 ASN CB . 34430 1 272 . 1 . 1 21 21 ASN CG C 13 177.016 0.002 . 1 . . . . A 21 ASN CG . 34430 1 273 . 1 . 1 21 21 ASN N N 15 114.367 0.025 . 1 . . . . A 21 ASN N . 34430 1 274 . 1 . 1 21 21 ASN ND2 N 15 114.824 0.016 . 1 . . . . A 21 ASN ND2 . 34430 1 275 . 1 . 1 22 22 LEU H H 1 6.460 0.000 . 1 . . . . A 22 LEU H . 34430 1 276 . 1 . 1 22 22 LEU HA H 1 4.503 0.002 . 1 . . . . A 22 LEU HA . 34430 1 277 . 1 . 1 22 22 LEU HB2 H 1 1.585 0.001 . 2 . . . . A 22 LEU HB2 . 34430 1 278 . 1 . 1 22 22 LEU HB3 H 1 1.642 0.005 . 2 . . . . A 22 LEU HB3 . 34430 1 279 . 1 . 1 22 22 LEU HG H 1 1.658 0.000 . 1 . . . . A 22 LEU HG . 34430 1 280 . 1 . 1 22 22 LEU HD11 H 1 0.989 0.000 . 2 . . . . A 22 LEU HD11 . 34430 1 281 . 1 . 1 22 22 LEU HD12 H 1 0.989 0.000 . 2 . . . . A 22 LEU HD12 . 34430 1 282 . 1 . 1 22 22 LEU HD13 H 1 0.989 0.000 . 2 . . . . A 22 LEU HD13 . 34430 1 283 . 1 . 1 22 22 LEU HD21 H 1 0.910 0.001 . 2 . . . . A 22 LEU HD21 . 34430 1 284 . 1 . 1 22 22 LEU HD22 H 1 0.910 0.001 . 2 . . . . A 22 LEU HD22 . 34430 1 285 . 1 . 1 22 22 LEU HD23 H 1 0.910 0.001 . 2 . . . . A 22 LEU HD23 . 34430 1 286 . 1 . 1 22 22 LEU C C 13 176.928 0.003 . 1 . . . . A 22 LEU C . 34430 1 287 . 1 . 1 22 22 LEU CA C 13 53.901 0.060 . 1 . . . . A 22 LEU CA . 34430 1 288 . 1 . 1 22 22 LEU CB C 13 43.650 0.012 . 1 . . . . A 22 LEU CB . 34430 1 289 . 1 . 1 22 22 LEU CG C 13 27.000 0.000 . 1 . . . . A 22 LEU CG . 34430 1 290 . 1 . 1 22 22 LEU CD1 C 13 27.306 0.000 . 1 . . . . A 22 LEU CD1 . 34430 1 291 . 1 . 1 22 22 LEU CD2 C 13 22.261 0.020 . 1 . . . . A 22 LEU CD2 . 34430 1 292 . 1 . 1 22 22 LEU N N 15 116.963 0.022 . 1 . . . . A 22 LEU N . 34430 1 293 . 1 . 1 23 23 THR H H 1 8.745 0.000 . 1 . . . . A 23 THR H . 34430 1 294 . 1 . 1 23 23 THR HA H 1 4.409 0.000 . 1 . . . . A 23 THR HA . 34430 1 295 . 1 . 1 23 23 THR HB H 1 4.649 0.001 . 1 . . . . A 23 THR HB . 34430 1 296 . 1 . 1 23 23 THR HG21 H 1 1.193 0.002 . 1 . . . . A 23 THR HG21 . 34430 1 297 . 1 . 1 23 23 THR HG22 H 1 1.193 0.002 . 1 . . . . A 23 THR HG22 . 34430 1 298 . 1 . 1 23 23 THR HG23 H 1 1.193 0.002 . 1 . . . . A 23 THR HG23 . 34430 1 299 . 1 . 1 23 23 THR C C 13 175.183 0.000 . 1 . . . . A 23 THR C . 34430 1 300 . 1 . 1 23 23 THR CA C 13 60.485 0.025 . 1 . . . . A 23 THR CA . 34430 1 301 . 1 . 1 23 23 THR CB C 13 70.502 0.000 . 1 . . . . A 23 THR CB . 34430 1 302 . 1 . 1 23 23 THR CG2 C 13 21.484 0.018 . 1 . . . . A 23 THR CG2 . 34430 1 303 . 1 . 1 23 23 THR N N 15 112.697 0.019 . 1 . . . . A 23 THR N . 34430 1 304 . 1 . 1 24 24 GLU H H 1 8.954 0.000 . 1 . . . . A 24 GLU H . 34430 1 305 . 1 . 1 24 24 GLU HA H 1 3.882 0.000 . 1 . . . . A 24 GLU HA . 34430 1 306 . 1 . 1 24 24 GLU HB2 H 1 1.934 0.000 . 2 . . . . A 24 GLU HB2 . 34430 1 307 . 1 . 1 24 24 GLU HB3 H 1 1.934 0.000 . 2 . . . . A 24 GLU HB3 . 34430 1 308 . 1 . 1 24 24 GLU HG2 H 1 2.269 0.000 . 2 . . . . A 24 GLU HG2 . 34430 1 309 . 1 . 1 24 24 GLU HG3 H 1 2.269 0.000 . 2 . . . . A 24 GLU HG3 . 34430 1 310 . 1 . 1 24 24 GLU C C 13 178.056 0.008 . 1 . . . . A 24 GLU C . 34430 1 311 . 1 . 1 24 24 GLU CA C 13 59.685 0.029 . 1 . . . . A 24 GLU CA . 34430 1 312 . 1 . 1 24 24 GLU CB C 13 28.987 0.040 . 1 . . . . A 24 GLU CB . 34430 1 313 . 1 . 1 24 24 GLU CG C 13 36.048 0.025 . 1 . . . . A 24 GLU CG . 34430 1 314 . 1 . 1 24 24 GLU CD C 13 183.497 0.000 . 1 . . . . A 24 GLU CD . 34430 1 315 . 1 . 1 24 24 GLU N N 15 121.950 0.020 . 1 . . . . A 24 GLU N . 34430 1 316 . 1 . 1 25 25 GLU H H 1 8.521 0.000 . 1 . . . . A 25 GLU H . 34430 1 317 . 1 . 1 25 25 GLU HA H 1 3.930 0.001 . 1 . . . . A 25 GLU HA . 34430 1 318 . 1 . 1 25 25 GLU HB2 H 1 1.794 0.003 . 2 . . . . A 25 GLU HB2 . 34430 1 319 . 1 . 1 25 25 GLU HB3 H 1 1.934 0.002 . 2 . . . . A 25 GLU HB3 . 34430 1 320 . 1 . 1 25 25 GLU HG2 H 1 2.177 0.002 . 2 . . . . A 25 GLU HG2 . 34430 1 321 . 1 . 1 25 25 GLU HG3 H 1 2.177 0.002 . 2 . . . . A 25 GLU HG3 . 34430 1 322 . 1 . 1 25 25 GLU C C 13 180.025 0.012 . 1 . . . . A 25 GLU C . 34430 1 323 . 1 . 1 25 25 GLU CA C 13 59.853 0.045 . 1 . . . . A 25 GLU CA . 34430 1 324 . 1 . 1 25 25 GLU CB C 13 29.287 0.054 . 1 . . . . A 25 GLU CB . 34430 1 325 . 1 . 1 25 25 GLU CG C 13 36.546 0.029 . 1 . . . . A 25 GLU CG . 34430 1 326 . 1 . 1 25 25 GLU N N 15 117.872 0.003 . 1 . . . . A 25 GLU N . 34430 1 327 . 1 . 1 26 26 GLN H H 1 7.661 0.000 . 1 . . . . A 26 GLN H . 34430 1 328 . 1 . 1 26 26 GLN HA H 1 3.698 0.002 . 1 . . . . A 26 GLN HA . 34430 1 329 . 1 . 1 26 26 GLN HB2 H 1 2.439 0.002 . 2 . . . . A 26 GLN HB2 . 34430 1 330 . 1 . 1 26 26 GLN HB3 H 1 1.534 0.003 . 2 . . . . A 26 GLN HB3 . 34430 1 331 . 1 . 1 26 26 GLN HG2 H 1 2.282 0.004 . 2 . . . . A 26 GLN HG2 . 34430 1 332 . 1 . 1 26 26 GLN HG3 H 1 2.375 0.002 . 2 . . . . A 26 GLN HG3 . 34430 1 333 . 1 . 1 26 26 GLN HE21 H 1 7.531 0.000 . 2 . . . . A 26 GLN HE21 . 34430 1 334 . 1 . 1 26 26 GLN HE22 H 1 8.166 0.000 . 2 . . . . A 26 GLN HE22 . 34430 1 335 . 1 . 1 26 26 GLN C C 13 178.465 0.002 . 1 . . . . A 26 GLN C . 34430 1 336 . 1 . 1 26 26 GLN CA C 13 57.863 0.057 . 1 . . . . A 26 GLN CA . 34430 1 337 . 1 . 1 26 26 GLN CB C 13 28.447 0.028 . 1 . . . . A 26 GLN CB . 34430 1 338 . 1 . 1 26 26 GLN CG C 13 34.039 0.049 . 1 . . . . A 26 GLN CG . 34430 1 339 . 1 . 1 26 26 GLN CD C 13 179.843 0.002 . 1 . . . . A 26 GLN CD . 34430 1 340 . 1 . 1 26 26 GLN N N 15 119.373 0.005 . 1 . . . . A 26 GLN N . 34430 1 341 . 1 . 1 26 26 GLN NE2 N 15 111.601 0.025 . 1 . . . . A 26 GLN NE2 . 34430 1 342 . 1 . 1 27 27 ARG H H 1 8.669 0.000 . 1 . . . . A 27 ARG H . 34430 1 343 . 1 . 1 27 27 ARG HA H 1 3.697 0.001 . 1 . . . . A 27 ARG HA . 34430 1 344 . 1 . 1 27 27 ARG HB2 H 1 1.678 0.007 . 2 . . . . A 27 ARG HB2 . 34430 1 345 . 1 . 1 27 27 ARG HB3 H 1 1.828 0.001 . 2 . . . . A 27 ARG HB3 . 34430 1 346 . 1 . 1 27 27 ARG HG2 H 1 1.399 0.002 . 2 . . . . A 27 ARG HG2 . 34430 1 347 . 1 . 1 27 27 ARG HG3 H 1 1.666 0.006 . 2 . . . . A 27 ARG HG3 . 34430 1 348 . 1 . 1 27 27 ARG HD2 H 1 3.158 0.002 . 2 . . . . A 27 ARG HD2 . 34430 1 349 . 1 . 1 27 27 ARG HD3 H 1 3.295 0.001 . 2 . . . . A 27 ARG HD3 . 34430 1 350 . 1 . 1 27 27 ARG C C 13 177.354 0.007 . 1 . . . . A 27 ARG C . 34430 1 351 . 1 . 1 27 27 ARG CA C 13 60.707 0.021 . 1 . . . . A 27 ARG CA . 34430 1 352 . 1 . 1 27 27 ARG CB C 13 30.474 0.007 . 1 . . . . A 27 ARG CB . 34430 1 353 . 1 . 1 27 27 ARG CG C 13 26.796 0.027 . 1 . . . . A 27 ARG CG . 34430 1 354 . 1 . 1 27 27 ARG CD C 13 42.966 0.028 . 1 . . . . A 27 ARG CD . 34430 1 355 . 1 . 1 27 27 ARG N N 15 119.810 0.022 . 1 . . . . A 27 ARG N . 34430 1 356 . 1 . 1 28 28 ASN H H 1 8.563 0.000 . 1 . . . . A 28 ASN H . 34430 1 357 . 1 . 1 28 28 ASN HA H 1 4.307 0.001 . 1 . . . . A 28 ASN HA . 34430 1 358 . 1 . 1 28 28 ASN HB2 H 1 2.686 0.001 . 2 . . . . A 28 ASN HB2 . 34430 1 359 . 1 . 1 28 28 ASN HB3 H 1 2.762 0.001 . 2 . . . . A 28 ASN HB3 . 34430 1 360 . 1 . 1 28 28 ASN HD21 H 1 6.940 0.000 . 2 . . . . A 28 ASN HD21 . 34430 1 361 . 1 . 1 28 28 ASN HD22 H 1 7.521 0.000 . 2 . . . . A 28 ASN HD22 . 34430 1 362 . 1 . 1 28 28 ASN C C 13 178.205 0.007 . 1 . . . . A 28 ASN C . 34430 1 363 . 1 . 1 28 28 ASN CA C 13 55.846 0.029 . 1 . . . . A 28 ASN CA . 34430 1 364 . 1 . 1 28 28 ASN CB C 13 37.621 0.031 . 1 . . . . A 28 ASN CB . 34430 1 365 . 1 . 1 28 28 ASN CG C 13 175.667 0.002 . 1 . . . . A 28 ASN CG . 34430 1 366 . 1 . 1 28 28 ASN N N 15 115.746 0.022 . 1 . . . . A 28 ASN N . 34430 1 367 . 1 . 1 28 28 ASN ND2 N 15 112.068 0.024 . 1 . . . . A 28 ASN ND2 . 34430 1 368 . 1 . 1 29 29 GLY H H 1 7.813 0.000 . 1 . . . . A 29 GLY H . 34430 1 369 . 1 . 1 29 29 GLY HA2 H 1 3.675 0.000 . 2 . . . . A 29 GLY HA2 . 34430 1 370 . 1 . 1 29 29 GLY HA3 H 1 3.755 0.000 . 2 . . . . A 29 GLY HA3 . 34430 1 371 . 1 . 1 29 29 GLY C C 13 176.232 0.005 . 1 . . . . A 29 GLY C . 34430 1 372 . 1 . 1 29 29 GLY CA C 13 47.090 0.022 . 1 . . . . A 29 GLY CA . 34430 1 373 . 1 . 1 29 29 GLY N N 15 108.572 0.019 . 1 . . . . A 29 GLY N . 34430 1 374 . 1 . 1 30 30 PHE H H 1 7.688 0.000 . 1 . . . . A 30 PHE H . 34430 1 375 . 1 . 1 30 30 PHE HA H 1 4.519 0.001 . 1 . . . . A 30 PHE HA . 34430 1 376 . 1 . 1 30 30 PHE HB2 H 1 2.933 0.001 . 2 . . . . A 30 PHE HB2 . 34430 1 377 . 1 . 1 30 30 PHE HB3 H 1 2.933 0.001 . 2 . . . . A 30 PHE HB3 . 34430 1 378 . 1 . 1 30 30 PHE HD1 H 1 7.162 0.000 . 1 . . . . A 30 PHE HD1 . 34430 1 379 . 1 . 1 30 30 PHE HD2 H 1 7.162 0.000 . 1 . . . . A 30 PHE HD2 . 34430 1 380 . 1 . 1 30 30 PHE HE1 H 1 7.184 0.000 . 1 . . . . A 30 PHE HE1 . 34430 1 381 . 1 . 1 30 30 PHE HE2 H 1 7.184 0.000 . 1 . . . . A 30 PHE HE2 . 34430 1 382 . 1 . 1 30 30 PHE HZ H 1 6.967 0.000 . 1 . . . . A 30 PHE HZ . 34430 1 383 . 1 . 1 30 30 PHE C C 13 177.768 0.001 . 1 . . . . A 30 PHE C . 34430 1 384 . 1 . 1 30 30 PHE CA C 13 60.702 0.061 . 1 . . . . A 30 PHE CA . 34430 1 385 . 1 . 1 30 30 PHE CB C 13 39.154 0.000 . 1 . . . . A 30 PHE CB . 34430 1 386 . 1 . 1 30 30 PHE CD1 C 13 131.925 0.000 . 1 . . . . A 30 PHE CD1 . 34430 1 387 . 1 . 1 30 30 PHE CE1 C 13 130.617 0.000 . 1 . . . . A 30 PHE CE1 . 34430 1 388 . 1 . 1 30 30 PHE CZ C 13 129.118 0.000 . 1 . . . . A 30 PHE CZ . 34430 1 389 . 1 . 1 30 30 PHE N N 15 121.010 0.015 . 1 . . . . A 30 PHE N . 34430 1 390 . 1 . 1 31 31 ILE H H 1 8.318 0.000 . 1 . . . . A 31 ILE H . 34430 1 391 . 1 . 1 31 31 ILE HA H 1 3.620 0.004 . 1 . . . . A 31 ILE HA . 34430 1 392 . 1 . 1 31 31 ILE HB H 1 1.981 0.001 . 1 . . . . A 31 ILE HB . 34430 1 393 . 1 . 1 31 31 ILE HG12 H 1 1.199 0.001 . 2 . . . . A 31 ILE HG12 . 34430 1 394 . 1 . 1 31 31 ILE HG13 H 1 1.605 0.000 . 2 . . . . A 31 ILE HG13 . 34430 1 395 . 1 . 1 31 31 ILE HG21 H 1 0.850 0.002 . 1 . . . . A 31 ILE HG21 . 34430 1 396 . 1 . 1 31 31 ILE HG22 H 1 0.850 0.002 . 1 . . . . A 31 ILE HG22 . 34430 1 397 . 1 . 1 31 31 ILE HG23 H 1 0.850 0.002 . 1 . . . . A 31 ILE HG23 . 34430 1 398 . 1 . 1 31 31 ILE HD11 H 1 0.601 0.001 . 1 . . . . A 31 ILE HD11 . 34430 1 399 . 1 . 1 31 31 ILE HD12 H 1 0.601 0.001 . 1 . . . . A 31 ILE HD12 . 34430 1 400 . 1 . 1 31 31 ILE HD13 H 1 0.601 0.001 . 1 . . . . A 31 ILE HD13 . 34430 1 401 . 1 . 1 31 31 ILE C C 13 177.412 0.005 . 1 . . . . A 31 ILE C . 34430 1 402 . 1 . 1 31 31 ILE CA C 13 64.682 0.067 . 1 . . . . A 31 ILE CA . 34430 1 403 . 1 . 1 31 31 ILE CB C 13 36.942 0.000 . 1 . . . . A 31 ILE CB . 34430 1 404 . 1 . 1 31 31 ILE CG1 C 13 29.128 0.051 . 1 . . . . A 31 ILE CG1 . 34430 1 405 . 1 . 1 31 31 ILE CG2 C 13 17.470 0.011 . 1 . . . . A 31 ILE CG2 . 34430 1 406 . 1 . 1 31 31 ILE CD1 C 13 12.406 0.038 . 1 . . . . A 31 ILE CD1 . 34430 1 407 . 1 . 1 31 31 ILE N N 15 119.010 0.007 . 1 . . . . A 31 ILE N . 34430 1 408 . 1 . 1 32 32 GLN H H 1 8.203 0.000 . 1 . . . . A 32 GLN H . 34430 1 409 . 1 . 1 32 32 GLN HA H 1 3.807 0.001 . 1 . . . . A 32 GLN HA . 34430 1 410 . 1 . 1 32 32 GLN HB2 H 1 2.135 0.004 . 2 . . . . A 32 GLN HB2 . 34430 1 411 . 1 . 1 32 32 GLN HB3 H 1 2.135 0.004 . 2 . . . . A 32 GLN HB3 . 34430 1 412 . 1 . 1 32 32 GLN HG2 H 1 2.334 0.002 . 2 . . . . A 32 GLN HG2 . 34430 1 413 . 1 . 1 32 32 GLN HG3 H 1 2.334 0.002 . 2 . . . . A 32 GLN HG3 . 34430 1 414 . 1 . 1 32 32 GLN HE21 H 1 7.848 0.000 . 2 . . . . A 32 GLN HE21 . 34430 1 415 . 1 . 1 32 32 GLN HE22 H 1 6.848 0.000 . 2 . . . . A 32 GLN HE22 . 34430 1 416 . 1 . 1 32 32 GLN C C 13 177.886 0.005 . 1 . . . . A 32 GLN C . 34430 1 417 . 1 . 1 32 32 GLN CA C 13 58.754 0.052 . 1 . . . . A 32 GLN CA . 34430 1 418 . 1 . 1 32 32 GLN CB C 13 27.985 0.025 . 1 . . . . A 32 GLN CB . 34430 1 419 . 1 . 1 32 32 GLN CG C 13 33.471 0.033 . 1 . . . . A 32 GLN CG . 34430 1 420 . 1 . 1 32 32 GLN CD C 13 180.301 0.005 . 1 . . . . A 32 GLN CD . 34430 1 421 . 1 . 1 32 32 GLN N N 15 119.223 0.007 . 1 . . . . A 32 GLN N . 34430 1 422 . 1 . 1 32 32 GLN NE2 N 15 116.570 0.026 . 1 . . . . A 32 GLN NE2 . 34430 1 423 . 1 . 1 33 33 SER H H 1 7.945 0.000 . 1 . . . . A 33 SER H . 34430 1 424 . 1 . 1 33 33 SER HA H 1 4.210 0.001 . 1 . . . . A 33 SER HA . 34430 1 425 . 1 . 1 33 33 SER HB2 H 1 4.094 0.003 . 2 . . . . A 33 SER HB2 . 34430 1 426 . 1 . 1 33 33 SER HB3 H 1 3.864 0.002 . 2 . . . . A 33 SER HB3 . 34430 1 427 . 1 . 1 33 33 SER C C 13 175.757 0.007 . 1 . . . . A 33 SER C . 34430 1 428 . 1 . 1 33 33 SER CA C 13 62.695 0.043 . 1 . . . . A 33 SER CA . 34430 1 429 . 1 . 1 33 33 SER CB C 13 62.848 0.042 . 1 . . . . A 33 SER CB . 34430 1 430 . 1 . 1 33 33 SER N N 15 115.254 0.017 . 1 . . . . A 33 SER N . 34430 1 431 . 1 . 1 34 34 LEU H H 1 7.884 0.000 . 1 . . . . A 34 LEU H . 34430 1 432 . 1 . 1 34 34 LEU HA H 1 3.824 0.001 . 1 . . . . A 34 LEU HA . 34430 1 433 . 1 . 1 34 34 LEU HB2 H 1 1.566 0.003 . 2 . . . . A 34 LEU HB2 . 34430 1 434 . 1 . 1 34 34 LEU HB3 H 1 1.772 0.002 . 2 . . . . A 34 LEU HB3 . 34430 1 435 . 1 . 1 34 34 LEU HG H 1 1.685 0.002 . 1 . . . . A 34 LEU HG . 34430 1 436 . 1 . 1 34 34 LEU HD11 H 1 0.683 0.002 . 2 . . . . A 34 LEU HD11 . 34430 1 437 . 1 . 1 34 34 LEU HD12 H 1 0.683 0.002 . 2 . . . . A 34 LEU HD12 . 34430 1 438 . 1 . 1 34 34 LEU HD13 H 1 0.683 0.002 . 2 . . . . A 34 LEU HD13 . 34430 1 439 . 1 . 1 34 34 LEU HD21 H 1 0.652 0.000 . 2 . . . . A 34 LEU HD21 . 34430 1 440 . 1 . 1 34 34 LEU HD22 H 1 0.652 0.000 . 2 . . . . A 34 LEU HD22 . 34430 1 441 . 1 . 1 34 34 LEU HD23 H 1 0.652 0.000 . 2 . . . . A 34 LEU HD23 . 34430 1 442 . 1 . 1 34 34 LEU C C 13 177.538 0.004 . 1 . . . . A 34 LEU C . 34430 1 443 . 1 . 1 34 34 LEU CA C 13 57.338 0.037 . 1 . . . . A 34 LEU CA . 34430 1 444 . 1 . 1 34 34 LEU CB C 13 42.737 0.013 . 1 . . . . A 34 LEU CB . 34430 1 445 . 1 . 1 34 34 LEU CG C 13 26.918 0.021 . 1 . . . . A 34 LEU CG . 34430 1 446 . 1 . 1 34 34 LEU CD1 C 13 25.629 0.000 . 1 . . . . A 34 LEU CD1 . 34430 1 447 . 1 . 1 34 34 LEU CD2 C 13 25.561 0.000 . 1 . . . . A 34 LEU CD2 . 34430 1 448 . 1 . 1 34 34 LEU N N 15 122.412 0.021 . 1 . . . . A 34 LEU N . 34430 1 449 . 1 . 1 35 35 LYS H H 1 7.915 0.000 . 1 . . . . A 35 LYS H . 34430 1 450 . 1 . 1 35 35 LYS HA H 1 3.914 0.002 . 1 . . . . A 35 LYS HA . 34430 1 451 . 1 . 1 35 35 LYS HB2 H 1 1.835 0.006 . 2 . . . . A 35 LYS HB2 . 34430 1 452 . 1 . 1 35 35 LYS HB3 H 1 1.900 0.005 . 2 . . . . A 35 LYS HB3 . 34430 1 453 . 1 . 1 35 35 LYS HG2 H 1 1.311 0.002 . 2 . . . . A 35 LYS HG2 . 34430 1 454 . 1 . 1 35 35 LYS HG3 H 1 1.713 0.002 . 2 . . . . A 35 LYS HG3 . 34430 1 455 . 1 . 1 35 35 LYS HD2 H 1 1.556 0.002 . 2 . . . . A 35 LYS HD2 . 34430 1 456 . 1 . 1 35 35 LYS HD3 H 1 1.556 0.002 . 2 . . . . A 35 LYS HD3 . 34430 1 457 . 1 . 1 35 35 LYS HE2 H 1 2.692 0.002 . 2 . . . . A 35 LYS HE2 . 34430 1 458 . 1 . 1 35 35 LYS HE3 H 1 2.769 0.001 . 2 . . . . A 35 LYS HE3 . 34430 1 459 . 1 . 1 35 35 LYS C C 13 178.647 0.009 . 1 . . . . A 35 LYS C . 34430 1 460 . 1 . 1 35 35 LYS CA C 13 59.393 0.032 . 1 . . . . A 35 LYS CA . 34430 1 461 . 1 . 1 35 35 LYS CB C 13 32.607 0.039 . 1 . . . . A 35 LYS CB . 34430 1 462 . 1 . 1 35 35 LYS CG C 13 26.116 0.016 . 1 . . . . A 35 LYS CG . 34430 1 463 . 1 . 1 35 35 LYS CD C 13 29.886 0.000 . 1 . . . . A 35 LYS CD . 34430 1 464 . 1 . 1 35 35 LYS CE C 13 41.933 0.023 . 1 . . . . A 35 LYS CE . 34430 1 465 . 1 . 1 35 35 LYS N N 15 116.622 0.009 . 1 . . . . A 35 LYS N . 34430 1 466 . 1 . 1 36 36 ASP H H 1 8.067 0.000 . 1 . . . . A 36 ASP H . 34430 1 467 . 1 . 1 36 36 ASP HA H 1 4.350 0.000 . 1 . . . . A 36 ASP HA . 34430 1 468 . 1 . 1 36 36 ASP HB2 H 1 2.611 0.000 . 2 . . . . A 36 ASP HB2 . 34430 1 469 . 1 . 1 36 36 ASP HB3 H 1 2.659 0.003 . 2 . . . . A 36 ASP HB3 . 34430 1 470 . 1 . 1 36 36 ASP C C 13 177.002 0.003 . 1 . . . . A 36 ASP C . 34430 1 471 . 1 . 1 36 36 ASP CA C 13 56.652 0.029 . 1 . . . . A 36 ASP CA . 34430 1 472 . 1 . 1 36 36 ASP CB C 13 40.921 0.018 . 1 . . . . A 36 ASP CB . 34430 1 473 . 1 . 1 36 36 ASP CG C 13 178.690 0.000 . 1 . . . . A 36 ASP CG . 34430 1 474 . 1 . 1 36 36 ASP N N 15 118.304 0.022 . 1 . . . . A 36 ASP N . 34430 1 475 . 1 . 1 37 37 ASP H H 1 7.462 0.000 . 1 . . . . A 37 ASP H . 34430 1 476 . 1 . 1 37 37 ASP HA H 1 4.829 0.002 . 1 . . . . A 37 ASP HA . 34430 1 477 . 1 . 1 37 37 ASP HB2 H 1 2.457 0.001 . 2 . . . . A 37 ASP HB2 . 34430 1 478 . 1 . 1 37 37 ASP HB3 H 1 2.928 0.004 . 2 . . . . A 37 ASP HB3 . 34430 1 479 . 1 . 1 37 37 ASP C C 13 172.001 0.005 . 1 . . . . A 37 ASP C . 34430 1 480 . 1 . 1 37 37 ASP CA C 13 51.630 0.048 . 1 . . . . A 37 ASP CA . 34430 1 481 . 1 . 1 37 37 ASP CB C 13 40.864 0.041 . 1 . . . . A 37 ASP CB . 34430 1 482 . 1 . 1 37 37 ASP CG C 13 181.075 0.000 . 1 . . . . A 37 ASP CG . 34430 1 483 . 1 . 1 37 37 ASP N N 15 114.688 0.006 . 1 . . . . A 37 ASP N . 34430 1 484 . 1 . 1 38 38 PRO HA H 1 4.393 0.001 . 1 . . . . A 38 PRO HA . 34430 1 485 . 1 . 1 38 38 PRO HB2 H 1 2.213 0.001 . 2 . . . . A 38 PRO HB2 . 34430 1 486 . 1 . 1 38 38 PRO HB3 H 1 1.878 0.004 . 2 . . . . A 38 PRO HB3 . 34430 1 487 . 1 . 1 38 38 PRO HG2 H 1 2.003 0.001 . 2 . . . . A 38 PRO HG2 . 34430 1 488 . 1 . 1 38 38 PRO HG3 H 1 2.119 0.001 . 2 . . . . A 38 PRO HG3 . 34430 1 489 . 1 . 1 38 38 PRO HD2 H 1 3.568 0.002 . 2 . . . . A 38 PRO HD2 . 34430 1 490 . 1 . 1 38 38 PRO HD3 H 1 3.779 0.002 . 2 . . . . A 38 PRO HD3 . 34430 1 491 . 1 . 1 38 38 PRO C C 13 178.154 0.002 . 1 . . . . A 38 PRO C . 34430 1 492 . 1 . 1 38 38 PRO CA C 13 64.136 0.033 . 1 . . . . A 38 PRO CA . 34430 1 493 . 1 . 1 38 38 PRO CB C 13 32.002 0.019 . 1 . . . . A 38 PRO CB . 34430 1 494 . 1 . 1 38 38 PRO CG C 13 27.023 0.003 . 1 . . . . A 38 PRO CG . 34430 1 495 . 1 . 1 38 38 PRO CD C 13 49.861 0.023 . 1 . . . . A 38 PRO CD . 34430 1 496 . 1 . 1 38 38 PRO N N 15 134.778 0.000 . 1 . . . . A 38 PRO N . 34430 1 497 . 1 . 1 39 39 SER H H 1 8.117 0.000 . 1 . . . . A 39 SER H . 34430 1 498 . 1 . 1 39 39 SER HA H 1 4.146 0.001 . 1 . . . . A 39 SER HA . 34430 1 499 . 1 . 1 39 39 SER HB2 H 1 3.923 0.003 . 2 . . . . A 39 SER HB2 . 34430 1 500 . 1 . 1 39 39 SER HB3 H 1 3.850 0.003 . 2 . . . . A 39 SER HB3 . 34430 1 501 . 1 . 1 39 39 SER C C 13 176.107 0.012 . 1 . . . . A 39 SER C . 34430 1 502 . 1 . 1 39 39 SER CA C 13 61.193 0.094 . 1 . . . . A 39 SER CA . 34430 1 503 . 1 . 1 39 39 SER CB C 13 62.968 0.044 . 1 . . . . A 39 SER CB . 34430 1 504 . 1 . 1 39 39 SER N N 15 113.243 0.023 . 1 . . . . A 39 SER N . 34430 1 505 . 1 . 1 40 40 VAL H H 1 7.192 0.000 . 1 . . . . A 40 VAL H . 34430 1 506 . 1 . 1 40 40 VAL HA H 1 4.777 0.000 . 1 . . . . A 40 VAL HA . 34430 1 507 . 1 . 1 40 40 VAL HB H 1 2.563 0.000 . 1 . . . . A 40 VAL HB . 34430 1 508 . 1 . 1 40 40 VAL HG11 H 1 0.817 0.001 . 2 . . . . A 40 VAL HG11 . 34430 1 509 . 1 . 1 40 40 VAL HG12 H 1 0.817 0.001 . 2 . . . . A 40 VAL HG12 . 34430 1 510 . 1 . 1 40 40 VAL HG13 H 1 0.817 0.001 . 2 . . . . A 40 VAL HG13 . 34430 1 511 . 1 . 1 40 40 VAL HG21 H 1 0.915 0.002 . 2 . . . . A 40 VAL HG21 . 34430 1 512 . 1 . 1 40 40 VAL HG22 H 1 0.915 0.002 . 2 . . . . A 40 VAL HG22 . 34430 1 513 . 1 . 1 40 40 VAL HG23 H 1 0.915 0.002 . 2 . . . . A 40 VAL HG23 . 34430 1 514 . 1 . 1 40 40 VAL C C 13 175.927 0.010 . 1 . . . . A 40 VAL C . 34430 1 515 . 1 . 1 40 40 VAL CA C 13 60.982 0.006 . 1 . . . . A 40 VAL CA . 34430 1 516 . 1 . 1 40 40 VAL CB C 13 30.427 0.000 . 1 . . . . A 40 VAL CB . 34430 1 517 . 1 . 1 40 40 VAL CG1 C 13 21.471 0.054 . 1 . . . . A 40 VAL CG1 . 34430 1 518 . 1 . 1 40 40 VAL CG2 C 13 18.593 0.026 . 1 . . . . A 40 VAL CG2 . 34430 1 519 . 1 . 1 40 40 VAL N N 15 115.144 0.023 . 1 . . . . A 40 VAL N . 34430 1 520 . 1 . 1 41 41 SER H H 1 7.476 0.000 . 1 . . . . A 41 SER H . 34430 1 521 . 1 . 1 41 41 SER HA H 1 3.709 0.001 . 1 . . . . A 41 SER HA . 34430 1 522 . 1 . 1 41 41 SER HB2 H 1 3.615 0.003 . 2 . . . . A 41 SER HB2 . 34430 1 523 . 1 . 1 41 41 SER HB3 H 1 3.812 0.001 . 2 . . . . A 41 SER HB3 . 34430 1 524 . 1 . 1 41 41 SER C C 13 174.686 0.005 . 1 . . . . A 41 SER C . 34430 1 525 . 1 . 1 41 41 SER CA C 13 63.056 0.025 . 1 . . . . A 41 SER CA . 34430 1 526 . 1 . 1 41 41 SER CB C 13 62.760 0.017 . 1 . . . . A 41 SER CB . 34430 1 527 . 1 . 1 41 41 SER N N 15 116.577 0.027 . 1 . . . . A 41 SER N . 34430 1 528 . 1 . 1 42 42 LYS H H 1 8.419 0.000 . 1 . . . . A 42 LYS H . 34430 1 529 . 1 . 1 42 42 LYS HA H 1 3.860 0.002 . 1 . . . . A 42 LYS HA . 34430 1 530 . 1 . 1 42 42 LYS HB2 H 1 1.660 0.003 . 2 . . . . A 42 LYS HB2 . 34430 1 531 . 1 . 1 42 42 LYS HB3 H 1 1.756 0.001 . 2 . . . . A 42 LYS HB3 . 34430 1 532 . 1 . 1 42 42 LYS HG2 H 1 1.431 0.001 . 2 . . . . A 42 LYS HG2 . 34430 1 533 . 1 . 1 42 42 LYS HG3 H 1 1.297 0.001 . 2 . . . . A 42 LYS HG3 . 34430 1 534 . 1 . 1 42 42 LYS HD2 H 1 1.620 0.001 . 2 . . . . A 42 LYS HD2 . 34430 1 535 . 1 . 1 42 42 LYS HD3 H 1 1.620 0.001 . 2 . . . . A 42 LYS HD3 . 34430 1 536 . 1 . 1 42 42 LYS HE2 H 1 2.925 0.002 . 2 . . . . A 42 LYS HE2 . 34430 1 537 . 1 . 1 42 42 LYS HE3 H 1 2.925 0.002 . 2 . . . . A 42 LYS HE3 . 34430 1 538 . 1 . 1 42 42 LYS C C 13 179.072 0.000 . 1 . . . . A 42 LYS C . 34430 1 539 . 1 . 1 42 42 LYS CA C 13 60.092 0.024 . 1 . . . . A 42 LYS CA . 34430 1 540 . 1 . 1 42 42 LYS CB C 13 31.907 0.009 . 1 . . . . A 42 LYS CB . 34430 1 541 . 1 . 1 42 42 LYS CG C 13 25.019 0.038 . 1 . . . . A 42 LYS CG . 34430 1 542 . 1 . 1 42 42 LYS CD C 13 29.171 0.034 . 1 . . . . A 42 LYS CD . 34430 1 543 . 1 . 1 42 42 LYS CE C 13 41.721 0.000 . 1 . . . . A 42 LYS CE . 34430 1 544 . 1 . 1 42 42 LYS N N 15 120.470 0.014 . 1 . . . . A 42 LYS N . 34430 1 545 . 1 . 1 43 43 GLU H H 1 8.220 0.000 . 1 . . . . A 43 GLU H . 34430 1 546 . 1 . 1 43 43 GLU HA H 1 4.001 0.002 . 1 . . . . A 43 GLU HA . 34430 1 547 . 1 . 1 43 43 GLU HB2 H 1 1.977 0.004 . 2 . . . . A 43 GLU HB2 . 34430 1 548 . 1 . 1 43 43 GLU HB3 H 1 2.197 0.006 . 2 . . . . A 43 GLU HB3 . 34430 1 549 . 1 . 1 43 43 GLU HG2 H 1 2.181 0.003 . 2 . . . . A 43 GLU HG2 . 34430 1 550 . 1 . 1 43 43 GLU HG3 H 1 2.369 0.002 . 2 . . . . A 43 GLU HG3 . 34430 1 551 . 1 . 1 43 43 GLU C C 13 179.295 0.008 . 1 . . . . A 43 GLU C . 34430 1 552 . 1 . 1 43 43 GLU CA C 13 59.919 0.033 . 1 . . . . A 43 GLU CA . 34430 1 553 . 1 . 1 43 43 GLU CB C 13 28.916 0.051 . 1 . . . . A 43 GLU CB . 34430 1 554 . 1 . 1 43 43 GLU CG C 13 37.119 0.049 . 1 . . . . A 43 GLU CG . 34430 1 555 . 1 . 1 43 43 GLU CD C 13 183.145 0.000 . 1 . . . . A 43 GLU CD . 34430 1 556 . 1 . 1 43 43 GLU N N 15 121.592 0.016 . 1 . . . . A 43 GLU N . 34430 1 557 . 1 . 1 44 44 ILE H H 1 8.226 0.000 . 1 . . . . A 44 ILE H . 34430 1 558 . 1 . 1 44 44 ILE HA H 1 3.724 0.003 . 1 . . . . A 44 ILE HA . 34430 1 559 . 1 . 1 44 44 ILE HB H 1 1.693 0.001 . 1 . . . . A 44 ILE HB . 34430 1 560 . 1 . 1 44 44 ILE HG12 H 1 1.263 0.002 . 2 . . . . A 44 ILE HG12 . 34430 1 561 . 1 . 1 44 44 ILE HG13 H 1 1.550 0.003 . 2 . . . . A 44 ILE HG13 . 34430 1 562 . 1 . 1 44 44 ILE HG21 H 1 0.850 0.003 . 1 . . . . A 44 ILE HG21 . 34430 1 563 . 1 . 1 44 44 ILE HG22 H 1 0.850 0.003 . 1 . . . . A 44 ILE HG22 . 34430 1 564 . 1 . 1 44 44 ILE HG23 H 1 0.850 0.003 . 1 . . . . A 44 ILE HG23 . 34430 1 565 . 1 . 1 44 44 ILE HD11 H 1 0.731 0.001 . 1 . . . . A 44 ILE HD11 . 34430 1 566 . 1 . 1 44 44 ILE HD12 H 1 0.731 0.001 . 1 . . . . A 44 ILE HD12 . 34430 1 567 . 1 . 1 44 44 ILE HD13 H 1 0.731 0.001 . 1 . . . . A 44 ILE HD13 . 34430 1 568 . 1 . 1 44 44 ILE C C 13 177.213 0.001 . 1 . . . . A 44 ILE C . 34430 1 569 . 1 . 1 44 44 ILE CA C 13 64.011 0.033 . 1 . . . . A 44 ILE CA . 34430 1 570 . 1 . 1 44 44 ILE CB C 13 37.498 0.000 . 1 . . . . A 44 ILE CB . 34430 1 571 . 1 . 1 44 44 ILE CG1 C 13 28.590 0.008 . 1 . . . . A 44 ILE CG1 . 34430 1 572 . 1 . 1 44 44 ILE CG2 C 13 17.757 0.021 . 1 . . . . A 44 ILE CG2 . 34430 1 573 . 1 . 1 44 44 ILE CD1 C 13 12.971 0.008 . 1 . . . . A 44 ILE CD1 . 34430 1 574 . 1 . 1 44 44 ILE N N 15 122.060 0.020 . 1 . . . . A 44 ILE N . 34430 1 575 . 1 . 1 45 45 LEU H H 1 8.224 0.000 . 1 . . . . A 45 LEU H . 34430 1 576 . 1 . 1 45 45 LEU HA H 1 3.702 0.001 . 1 . . . . A 45 LEU HA . 34430 1 577 . 1 . 1 45 45 LEU HB2 H 1 1.403 0.005 . 2 . . . . A 45 LEU HB2 . 34430 1 578 . 1 . 1 45 45 LEU HB3 H 1 1.740 0.002 . 2 . . . . A 45 LEU HB3 . 34430 1 579 . 1 . 1 45 45 LEU HG H 1 1.471 0.000 . 1 . . . . A 45 LEU HG . 34430 1 580 . 1 . 1 45 45 LEU HD11 H 1 0.810 0.001 . 2 . . . . A 45 LEU HD11 . 34430 1 581 . 1 . 1 45 45 LEU HD12 H 1 0.810 0.001 . 2 . . . . A 45 LEU HD12 . 34430 1 582 . 1 . 1 45 45 LEU HD13 H 1 0.810 0.001 . 2 . . . . A 45 LEU HD13 . 34430 1 583 . 1 . 1 45 45 LEU HD21 H 1 0.799 0.000 . 2 . . . . A 45 LEU HD21 . 34430 1 584 . 1 . 1 45 45 LEU HD22 H 1 0.799 0.000 . 2 . . . . A 45 LEU HD22 . 34430 1 585 . 1 . 1 45 45 LEU HD23 H 1 0.799 0.000 . 2 . . . . A 45 LEU HD23 . 34430 1 586 . 1 . 1 45 45 LEU C C 13 177.740 0.005 . 1 . . . . A 45 LEU C . 34430 1 587 . 1 . 1 45 45 LEU CA C 13 57.869 0.044 . 1 . . . . A 45 LEU CA . 34430 1 588 . 1 . 1 45 45 LEU CB C 13 41.692 0.020 . 1 . . . . A 45 LEU CB . 34430 1 589 . 1 . 1 45 45 LEU CG C 13 26.863 0.000 . 1 . . . . A 45 LEU CG . 34430 1 590 . 1 . 1 45 45 LEU CD1 C 13 23.812 0.002 . 1 . . . . A 45 LEU CD1 . 34430 1 591 . 1 . 1 45 45 LEU CD2 C 13 25.030 0.000 . 1 . . . . A 45 LEU CD2 . 34430 1 592 . 1 . 1 45 45 LEU N N 15 119.271 0.007 . 1 . . . . A 45 LEU N . 34430 1 593 . 1 . 1 46 46 ALA H H 1 7.596 0.000 . 1 . . . . A 46 ALA H . 34430 1 594 . 1 . 1 46 46 ALA HA H 1 3.931 0.002 . 1 . . . . A 46 ALA HA . 34430 1 595 . 1 . 1 46 46 ALA HB1 H 1 1.408 0.002 . 1 . . . . A 46 ALA HB1 . 34430 1 596 . 1 . 1 46 46 ALA HB2 H 1 1.408 0.002 . 1 . . . . A 46 ALA HB2 . 34430 1 597 . 1 . 1 46 46 ALA HB3 H 1 1.408 0.002 . 1 . . . . A 46 ALA HB3 . 34430 1 598 . 1 . 1 46 46 ALA C C 13 180.692 0.004 . 1 . . . . A 46 ALA C . 34430 1 599 . 1 . 1 46 46 ALA CA C 13 55.190 0.059 . 1 . . . . A 46 ALA CA . 34430 1 600 . 1 . 1 46 46 ALA CB C 13 17.828 0.042 . 1 . . . . A 46 ALA CB . 34430 1 601 . 1 . 1 46 46 ALA N N 15 119.283 0.003 . 1 . . . . A 46 ALA N . 34430 1 602 . 1 . 1 47 47 GLU H H 1 7.773 0.000 . 1 . . . . A 47 GLU H . 34430 1 603 . 1 . 1 47 47 GLU HA H 1 3.920 0.002 . 1 . . . . A 47 GLU HA . 34430 1 604 . 1 . 1 47 47 GLU HB2 H 1 2.085 0.002 . 2 . . . . A 47 GLU HB2 . 34430 1 605 . 1 . 1 47 47 GLU HB3 H 1 2.085 0.002 . 2 . . . . A 47 GLU HB3 . 34430 1 606 . 1 . 1 47 47 GLU HG2 H 1 2.370 0.002 . 2 . . . . A 47 GLU HG2 . 34430 1 607 . 1 . 1 47 47 GLU HG3 H 1 2.370 0.002 . 2 . . . . A 47 GLU HG3 . 34430 1 608 . 1 . 1 47 47 GLU C C 13 178.440 0.004 . 1 . . . . A 47 GLU C . 34430 1 609 . 1 . 1 47 47 GLU CA C 13 59.079 0.046 . 1 . . . . A 47 GLU CA . 34430 1 610 . 1 . 1 47 47 GLU CB C 13 29.289 0.070 . 1 . . . . A 47 GLU CB . 34430 1 611 . 1 . 1 47 47 GLU CG C 13 35.808 0.039 . 1 . . . . A 47 GLU CG . 34430 1 612 . 1 . 1 47 47 GLU CD C 13 182.784 0.000 . 1 . . . . A 47 GLU CD . 34430 1 613 . 1 . 1 47 47 GLU N N 15 120.020 0.019 . 1 . . . . A 47 GLU N . 34430 1 614 . 1 . 1 48 48 ALA H H 1 8.231 0.000 . 1 . . . . A 48 ALA H . 34430 1 615 . 1 . 1 48 48 ALA HA H 1 3.387 0.001 . 1 . . . . A 48 ALA HA . 34430 1 616 . 1 . 1 48 48 ALA HB1 H 1 0.451 0.001 . 1 . . . . A 48 ALA HB1 . 34430 1 617 . 1 . 1 48 48 ALA HB2 H 1 0.451 0.001 . 1 . . . . A 48 ALA HB2 . 34430 1 618 . 1 . 1 48 48 ALA HB3 H 1 0.451 0.001 . 1 . . . . A 48 ALA HB3 . 34430 1 619 . 1 . 1 48 48 ALA C C 13 179.270 0.007 . 1 . . . . A 48 ALA C . 34430 1 620 . 1 . 1 48 48 ALA CA C 13 55.123 0.040 . 1 . . . . A 48 ALA CA . 34430 1 621 . 1 . 1 48 48 ALA CB C 13 17.749 0.044 . 1 . . . . A 48 ALA CB . 34430 1 622 . 1 . 1 48 48 ALA N N 15 123.363 0.024 . 1 . . . . A 48 ALA N . 34430 1 623 . 1 . 1 49 49 LYS H H 1 8.394 0.000 . 1 . . . . A 49 LYS H . 34430 1 624 . 1 . 1 49 49 LYS HA H 1 3.682 0.001 . 1 . . . . A 49 LYS HA . 34430 1 625 . 1 . 1 49 49 LYS HB2 H 1 1.666 0.002 . 2 . . . . A 49 LYS HB2 . 34430 1 626 . 1 . 1 49 49 LYS HB3 H 1 1.851 0.001 . 2 . . . . A 49 LYS HB3 . 34430 1 627 . 1 . 1 49 49 LYS HG2 H 1 1.246 0.002 . 2 . . . . A 49 LYS HG2 . 34430 1 628 . 1 . 1 49 49 LYS HG3 H 1 1.532 0.001 . 2 . . . . A 49 LYS HG3 . 34430 1 629 . 1 . 1 49 49 LYS HD2 H 1 1.596 0.002 . 2 . . . . A 49 LYS HD2 . 34430 1 630 . 1 . 1 49 49 LYS HD3 H 1 1.507 0.000 . 2 . . . . A 49 LYS HD3 . 34430 1 631 . 1 . 1 49 49 LYS HE2 H 1 2.756 0.002 . 2 . . . . A 49 LYS HE2 . 34430 1 632 . 1 . 1 49 49 LYS HE3 H 1 2.857 0.001 . 2 . . . . A 49 LYS HE3 . 34430 1 633 . 1 . 1 49 49 LYS C C 13 178.335 0.003 . 1 . . . . A 49 LYS C . 34430 1 634 . 1 . 1 49 49 LYS CA C 13 60.174 0.043 . 1 . . . . A 49 LYS CA . 34430 1 635 . 1 . 1 49 49 LYS CB C 13 32.026 0.017 . 1 . . . . A 49 LYS CB . 34430 1 636 . 1 . 1 49 49 LYS CG C 13 26.541 0.012 . 1 . . . . A 49 LYS CG . 34430 1 637 . 1 . 1 49 49 LYS CD C 13 29.156 0.042 . 1 . . . . A 49 LYS CD . 34430 1 638 . 1 . 1 49 49 LYS CE C 13 41.777 0.101 . 1 . . . . A 49 LYS CE . 34430 1 639 . 1 . 1 49 49 LYS N N 15 117.846 0.020 . 1 . . . . A 49 LYS N . 34430 1 640 . 1 . 1 50 50 LYS H H 1 7.658 0.000 . 1 . . . . A 50 LYS H . 34430 1 641 . 1 . 1 50 50 LYS HA H 1 3.896 0.002 . 1 . . . . A 50 LYS HA . 34430 1 642 . 1 . 1 50 50 LYS HB2 H 1 1.741 0.009 . 2 . . . . A 50 LYS HB2 . 34430 1 643 . 1 . 1 50 50 LYS HB3 H 1 1.782 0.004 . 2 . . . . A 50 LYS HB3 . 34430 1 644 . 1 . 1 50 50 LYS HG2 H 1 1.346 0.006 . 2 . . . . A 50 LYS HG2 . 34430 1 645 . 1 . 1 50 50 LYS HG3 H 1 1.429 0.001 . 2 . . . . A 50 LYS HG3 . 34430 1 646 . 1 . 1 50 50 LYS HD2 H 1 1.622 0.000 . 2 . . . . A 50 LYS HD2 . 34430 1 647 . 1 . 1 50 50 LYS HD3 H 1 1.622 0.000 . 2 . . . . A 50 LYS HD3 . 34430 1 648 . 1 . 1 50 50 LYS HE2 H 1 2.923 0.000 . 2 . . . . A 50 LYS HE2 . 34430 1 649 . 1 . 1 50 50 LYS HE3 H 1 2.923 0.000 . 2 . . . . A 50 LYS HE3 . 34430 1 650 . 1 . 1 50 50 LYS C C 13 179.519 0.014 . 1 . . . . A 50 LYS C . 34430 1 651 . 1 . 1 50 50 LYS CA C 13 59.708 0.022 . 1 . . . . A 50 LYS CA . 34430 1 652 . 1 . 1 50 50 LYS CB C 13 32.193 0.019 . 1 . . . . A 50 LYS CB . 34430 1 653 . 1 . 1 50 50 LYS CG C 13 24.686 0.046 . 1 . . . . A 50 LYS CG . 34430 1 654 . 1 . 1 50 50 LYS CD C 13 29.012 0.000 . 1 . . . . A 50 LYS CD . 34430 1 655 . 1 . 1 50 50 LYS CE C 13 41.969 0.000 . 1 . . . . A 50 LYS CE . 34430 1 656 . 1 . 1 50 50 LYS N N 15 120.222 0.017 . 1 . . . . A 50 LYS N . 34430 1 657 . 1 . 1 51 51 LEU H H 1 7.935 0.000 . 1 . . . . A 51 LEU H . 34430 1 658 . 1 . 1 51 51 LEU HA H 1 4.113 0.002 . 1 . . . . A 51 LEU HA . 34430 1 659 . 1 . 1 51 51 LEU HB2 H 1 1.629 0.002 . 2 . . . . A 51 LEU HB2 . 34430 1 660 . 1 . 1 51 51 LEU HB3 H 1 1.699 0.002 . 2 . . . . A 51 LEU HB3 . 34430 1 661 . 1 . 1 51 51 LEU HG H 1 1.516 0.002 . 1 . . . . A 51 LEU HG . 34430 1 662 . 1 . 1 51 51 LEU HD11 H 1 0.922 0.001 . 2 . . . . A 51 LEU HD11 . 34430 1 663 . 1 . 1 51 51 LEU HD12 H 1 0.922 0.001 . 2 . . . . A 51 LEU HD12 . 34430 1 664 . 1 . 1 51 51 LEU HD13 H 1 0.922 0.001 . 2 . . . . A 51 LEU HD13 . 34430 1 665 . 1 . 1 51 51 LEU HD21 H 1 0.952 0.002 . 2 . . . . A 51 LEU HD21 . 34430 1 666 . 1 . 1 51 51 LEU HD22 H 1 0.952 0.002 . 2 . . . . A 51 LEU HD22 . 34430 1 667 . 1 . 1 51 51 LEU HD23 H 1 0.952 0.002 . 2 . . . . A 51 LEU HD23 . 34430 1 668 . 1 . 1 51 51 LEU C C 13 177.824 0.003 . 1 . . . . A 51 LEU C . 34430 1 669 . 1 . 1 51 51 LEU CA C 13 57.510 0.050 . 1 . . . . A 51 LEU CA . 34430 1 670 . 1 . 1 51 51 LEU CB C 13 41.856 0.014 . 1 . . . . A 51 LEU CB . 34430 1 671 . 1 . 1 51 51 LEU CG C 13 26.876 0.000 . 1 . . . . A 51 LEU CG . 34430 1 672 . 1 . 1 51 51 LEU CD1 C 13 23.774 0.038 . 1 . . . . A 51 LEU CD1 . 34430 1 673 . 1 . 1 51 51 LEU CD2 C 13 24.778 0.011 . 1 . . . . A 51 LEU CD2 . 34430 1 674 . 1 . 1 51 51 LEU N N 15 122.073 0.024 . 1 . . . . A 51 LEU N . 34430 1 675 . 1 . 1 52 52 ASN H H 1 8.458 0.000 . 1 . . . . A 52 ASN H . 34430 1 676 . 1 . 1 52 52 ASN HA H 1 3.914 0.002 . 1 . . . . A 52 ASN HA . 34430 1 677 . 1 . 1 52 52 ASN HB2 H 1 2.326 0.003 . 2 . . . . A 52 ASN HB2 . 34430 1 678 . 1 . 1 52 52 ASN HB3 H 1 3.017 0.002 . 2 . . . . A 52 ASN HB3 . 34430 1 679 . 1 . 1 52 52 ASN HD21 H 1 6.790 0.000 . 2 . . . . A 52 ASN HD21 . 34430 1 680 . 1 . 1 52 52 ASN HD22 H 1 7.872 0.000 . 2 . . . . A 52 ASN HD22 . 34430 1 681 . 1 . 1 52 52 ASN C C 13 177.361 0.011 . 1 . . . . A 52 ASN C . 34430 1 682 . 1 . 1 52 52 ASN CA C 13 57.915 0.062 . 1 . . . . A 52 ASN CA . 34430 1 683 . 1 . 1 52 52 ASN CB C 13 41.824 0.013 . 1 . . . . A 52 ASN CB . 34430 1 684 . 1 . 1 52 52 ASN CG C 13 173.521 0.005 . 1 . . . . A 52 ASN CG . 34430 1 685 . 1 . 1 52 52 ASN N N 15 116.971 0.017 . 1 . . . . A 52 ASN N . 34430 1 686 . 1 . 1 52 52 ASN ND2 N 15 116.152 0.032 . 1 . . . . A 52 ASN ND2 . 34430 1 687 . 1 . 1 53 53 ASP H H 1 8.183 0.000 . 1 . . . . A 53 ASP H . 34430 1 688 . 1 . 1 53 53 ASP HA H 1 4.377 0.002 . 1 . . . . A 53 ASP HA . 34430 1 689 . 1 . 1 53 53 ASP HB2 H 1 2.623 0.001 . 2 . . . . A 53 ASP HB2 . 34430 1 690 . 1 . 1 53 53 ASP HB3 H 1 2.689 0.002 . 2 . . . . A 53 ASP HB3 . 34430 1 691 . 1 . 1 53 53 ASP C C 13 178.666 0.001 . 1 . . . . A 53 ASP C . 34430 1 692 . 1 . 1 53 53 ASP CA C 13 56.882 0.072 . 1 . . . . A 53 ASP CA . 34430 1 693 . 1 . 1 53 53 ASP CB C 13 39.948 0.026 . 1 . . . . A 53 ASP CB . 34430 1 694 . 1 . 1 53 53 ASP CG C 13 179.064 0.000 . 1 . . . . A 53 ASP CG . 34430 1 695 . 1 . 1 53 53 ASP N N 15 118.772 0.018 . 1 . . . . A 53 ASP N . 34430 1 696 . 1 . 1 54 54 ALA H H 1 7.976 0.000 . 1 . . . . A 54 ALA H . 34430 1 697 . 1 . 1 54 54 ALA HA H 1 4.165 0.001 . 1 . . . . A 54 ALA HA . 34430 1 698 . 1 . 1 54 54 ALA HB1 H 1 1.522 0.002 . 1 . . . . A 54 ALA HB1 . 34430 1 699 . 1 . 1 54 54 ALA HB2 H 1 1.522 0.002 . 1 . . . . A 54 ALA HB2 . 34430 1 700 . 1 . 1 54 54 ALA HB3 H 1 1.522 0.002 . 1 . . . . A 54 ALA HB3 . 34430 1 701 . 1 . 1 54 54 ALA C C 13 179.066 0.009 . 1 . . . . A 54 ALA C . 34430 1 702 . 1 . 1 54 54 ALA CA C 13 54.307 0.059 . 1 . . . . A 54 ALA CA . 34430 1 703 . 1 . 1 54 54 ALA CB C 13 18.486 0.008 . 1 . . . . A 54 ALA CB . 34430 1 704 . 1 . 1 54 54 ALA N N 15 123.023 0.012 . 1 . . . . A 54 ALA N . 34430 1 705 . 1 . 1 55 55 GLN H H 1 7.473 0.000 . 1 . . . . A 55 GLN H . 34430 1 706 . 1 . 1 55 55 GLN HA H 1 4.304 0.001 . 1 . . . . A 55 GLN HA . 34430 1 707 . 1 . 1 55 55 GLN HB2 H 1 2.401 0.001 . 2 . . . . A 55 GLN HB2 . 34430 1 708 . 1 . 1 55 55 GLN HB3 H 1 1.750 0.001 . 2 . . . . A 55 GLN HB3 . 34430 1 709 . 1 . 1 55 55 GLN HG2 H 1 2.560 0.001 . 2 . . . . A 55 GLN HG2 . 34430 1 710 . 1 . 1 55 55 GLN HG3 H 1 2.224 0.006 . 2 . . . . A 55 GLN HG3 . 34430 1 711 . 1 . 1 55 55 GLN HE21 H 1 7.222 0.000 . 2 . . . . A 55 GLN HE21 . 34430 1 712 . 1 . 1 55 55 GLN HE22 H 1 9.010 0.000 . 2 . . . . A 55 GLN HE22 . 34430 1 713 . 1 . 1 55 55 GLN C C 13 173.866 0.008 . 1 . . . . A 55 GLN C . 34430 1 714 . 1 . 1 55 55 GLN CA C 13 54.981 0.031 . 1 . . . . A 55 GLN CA . 34430 1 715 . 1 . 1 55 55 GLN CB C 13 28.274 0.027 . 1 . . . . A 55 GLN CB . 34430 1 716 . 1 . 1 55 55 GLN CG C 13 35.933 0.026 . 1 . . . . A 55 GLN CG . 34430 1 717 . 1 . 1 55 55 GLN CD C 13 181.394 0.006 . 1 . . . . A 55 GLN CD . 34430 1 718 . 1 . 1 55 55 GLN N N 15 115.053 0.019 . 1 . . . . A 55 GLN N . 34430 1 719 . 1 . 1 55 55 GLN NE2 N 15 111.505 0.029 . 1 . . . . A 55 GLN NE2 . 34430 1 720 . 1 . 1 56 56 ALA H H 1 7.037 0.000 . 1 . . . . A 56 ALA H . 34430 1 721 . 1 . 1 56 56 ALA HA H 1 4.269 0.001 . 1 . . . . A 56 ALA HA . 34430 1 722 . 1 . 1 56 56 ALA HB1 H 1 1.366 0.001 . 1 . . . . A 56 ALA HB1 . 34430 1 723 . 1 . 1 56 56 ALA HB2 H 1 1.366 0.001 . 1 . . . . A 56 ALA HB2 . 34430 1 724 . 1 . 1 56 56 ALA HB3 H 1 1.366 0.001 . 1 . . . . A 56 ALA HB3 . 34430 1 725 . 1 . 1 56 56 ALA C C 13 175.232 0.010 . 1 . . . . A 56 ALA C . 34430 1 726 . 1 . 1 56 56 ALA CA C 13 51.028 0.038 . 1 . . . . A 56 ALA CA . 34430 1 727 . 1 . 1 56 56 ALA CB C 13 17.856 0.033 . 1 . . . . A 56 ALA CB . 34430 1 728 . 1 . 1 56 56 ALA N N 15 124.523 0.016 . 1 . . . . A 56 ALA N . 34430 1 729 . 1 . 1 57 57 PRO HA H 1 4.338 0.002 . 1 . . . . A 57 PRO HA . 34430 1 730 . 1 . 1 57 57 PRO HB2 H 1 1.881 0.003 . 2 . . . . A 57 PRO HB2 . 34430 1 731 . 1 . 1 57 57 PRO HB3 H 1 2.226 0.003 . 2 . . . . A 57 PRO HB3 . 34430 1 732 . 1 . 1 57 57 PRO HG2 H 1 1.977 0.001 . 2 . . . . A 57 PRO HG2 . 34430 1 733 . 1 . 1 57 57 PRO HG3 H 1 2.022 0.001 . 2 . . . . A 57 PRO HG3 . 34430 1 734 . 1 . 1 57 57 PRO HD2 H 1 3.545 0.002 . 2 . . . . A 57 PRO HD2 . 34430 1 735 . 1 . 1 57 57 PRO HD3 H 1 3.708 0.001 . 2 . . . . A 57 PRO HD3 . 34430 1 736 . 1 . 1 57 57 PRO C C 13 175.824 0.003 . 1 . . . . A 57 PRO C . 34430 1 737 . 1 . 1 57 57 PRO CA C 13 63.275 0.034 . 1 . . . . A 57 PRO CA . 34430 1 738 . 1 . 1 57 57 PRO CB C 13 31.909 0.040 . 1 . . . . A 57 PRO CB . 34430 1 739 . 1 . 1 57 57 PRO CG C 13 27.449 0.003 . 1 . . . . A 57 PRO CG . 34430 1 740 . 1 . 1 57 57 PRO CD C 13 50.498 0.020 . 1 . . . . A 57 PRO CD . 34430 1 741 . 1 . 1 57 57 PRO N N 15 136.702 0.000 . 1 . . . . A 57 PRO N . 34430 1 742 . 1 . 1 58 58 LYS H H 1 7.995 0.000 . 1 . . . . A 58 LYS H . 34430 1 743 . 1 . 1 58 58 LYS HA H 1 4.101 0.002 . 1 . . . . A 58 LYS HA . 34430 1 744 . 1 . 1 58 58 LYS HB2 H 1 1.622 0.002 . 2 . . . . A 58 LYS HB2 . 34430 1 745 . 1 . 1 58 58 LYS HB3 H 1 1.779 0.000 . 2 . . . . A 58 LYS HB3 . 34430 1 746 . 1 . 1 58 58 LYS HG2 H 1 1.358 0.002 . 2 . . . . A 58 LYS HG2 . 34430 1 747 . 1 . 1 58 58 LYS HG3 H 1 1.358 0.002 . 2 . . . . A 58 LYS HG3 . 34430 1 748 . 1 . 1 58 58 LYS HD2 H 1 1.599 0.001 . 2 . . . . A 58 LYS HD2 . 34430 1 749 . 1 . 1 58 58 LYS HD3 H 1 1.599 0.001 . 2 . . . . A 58 LYS HD3 . 34430 1 750 . 1 . 1 58 58 LYS HE2 H 1 2.951 0.001 . 2 . . . . A 58 LYS HE2 . 34430 1 751 . 1 . 1 58 58 LYS HE3 H 1 2.951 0.001 . 2 . . . . A 58 LYS HE3 . 34430 1 752 . 1 . 1 58 58 LYS C C 13 181.206 0.000 . 1 . . . . A 58 LYS C . 34430 1 753 . 1 . 1 58 58 LYS CA C 13 57.340 0.034 . 1 . . . . A 58 LYS CA . 34430 1 754 . 1 . 1 58 58 LYS CB C 13 33.780 0.003 . 1 . . . . A 58 LYS CB . 34430 1 755 . 1 . 1 58 58 LYS CG C 13 24.640 0.006 . 1 . . . . A 58 LYS CG . 34430 1 756 . 1 . 1 58 58 LYS CD C 13 28.891 0.005 . 1 . . . . A 58 LYS CD . 34430 1 757 . 1 . 1 58 58 LYS CE C 13 42.341 0.000 . 1 . . . . A 58 LYS CE . 34430 1 758 . 1 . 1 58 58 LYS N N 15 127.458 0.020 . 1 . . . . A 58 LYS N . 34430 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 34430 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D 1H-13C 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 #INAME 1 H #INAME 2 C #INAME 3 h #SPECTRUM C13NOESY C H HC 1 24.825 1.876 1.315 1 T 1.581e+07 0.00e+00 a 0 0 0 0 0 2 24.704 1.728 1.354 1 T 1.782e+07 0.00e+00 a 0 0 0 0 0 3 25.026 1.634 1.304 1 T 6.767e+07 0.00e+00 a 0 0 0 0 0 4 36.036 1.949 2.272 1 T 4.523e+07 0.00e+00 a 0 0 0 0 0 6 35.891 4.305 2.235 1 T 2.078e+07 0.00e+00 a 0 0 0 0 0 8 29.010 4.003 1.973 1 T 4.856e+07 0.00e+00 a 0 0 0 0 0 9 29.364 3.920 1.935 1 T 5.227e+07 0.00e+00 a 0 0 0 0 0 10 28.903 3.882 1.945 1 T 2.842e+07 0.00e+00 a 0 0 0 0 0 11 28.953 2.360 1.976 1 T 3.332e+07 0.00e+00 a 0 0 0 0 0 12 29.013 8.963 1.939 1 T 2.614e+07 0.00e+00 a 0 0 0 0 0 13 29.223 8.524 1.938 1 T 3.958e+07 0.00e+00 a 0 0 0 0 0 14 28.913 8.209 1.971 1 T 2.449e+07 0.00e+00 a 0 0 0 0 0 15 31.996 1.885 2.229 1 T 2.841e+08 0.00e+00 a 0 0 0 0 0 16 32.011 4.352 2.230 1 T 7.163e+07 0.00e+00 a 0 0 0 0 0 17 31.980 3.574 2.219 1 T 9.982e+06 0.00e+00 a 0 0 0 0 0 18 60.713 7.163 4.521 1 T 1.296e+07 0.00e+00 a 0 0 0 0 0 19 53.245 3.999 4.447 1 T 2.678e+07 0.00e+00 a 0 0 0 0 0 20 53.257 3.756 4.448 1 T 2.516e+07 0.00e+00 a 0 0 0 0 0 21 53.323 2.494 4.480 1 T 1.434e+07 0.00e+00 a 0 0 0 0 0 22 53.250 0.791 4.448 1 T 2.761e+07 0.00e+00 a 0 0 0 0 0 24 27.068 4.002 2.088 1 T 2.790e+07 0.00e+00 a 0 0 0 0 0 25 27.067 3.779 2.121 1 T 1.600e+07 0.00e+00 a 0 0 0 0 0 26 27.419 3.770 2.096 1 T 2.328e+07 0.00e+00 a 0 0 0 0 0 27 27.084 3.748 2.087 1 T 2.189e+07 0.00e+00 a 0 0 0 0 0 28 26.958 3.564 2.123 1 T 2.084e+07 0.00e+00 a 0 0 0 0 0 29 41.928 1.850 2.867 1 T 1.148e+07 0.00e+00 a 0 0 0 0 0 30 41.907 1.643 2.866 1 T 4.567e+07 0.00e+00 a 0 0 0 0 0 31 41.829 1.603 2.907 1 T 7.786e+06 0.00e+00 a 0 0 0 0 0 32 41.936 1.535 2.855 1 T 5.714e+07 0.00e+00 a 0 0 0 0 0 33 42.042 1.489 2.832 1 T 6.107e+06 0.00e+00 a 0 0 0 0 0 34 41.904 1.301 2.873 1 T 9.794e+06 0.00e+00 a 0 0 0 0 0 35 41.805 0.806 2.858 1 T 1.168e+07 0.00e+00 a 0 0 0 0 0 36 38.677 2.398 2.823 1 T 1.590e+07 0.00e+00 a 0 0 0 0 0 37 38.742 1.752 2.824 1 T 1.626e+07 0.00e+00 a 0 0 0 0 0 38 38.748 4.936 2.824 1 T 3.634e+07 0.00e+00 a 0 0 0 0 0 39 38.719 3.917 2.826 1 T 2.927e+07 0.00e+00 a 0 0 0 0 0 40 38.757 8.820 2.825 1 T 2.116e+07 0.00e+00 a 0 0 0 0 0 41 38.719 6.920 2.824 1 T 4.365e+07 0.00e+00 a 0 0 0 0 0 42 28.895 4.000 2.198 1 T 1.432e+07 0.00e+00 a 0 0 0 0 0 43 28.934 2.563 2.197 1 T 1.916e+07 0.00e+00 a 0 0 0 0 0 44 28.906 8.220 2.199 1 T 3.832e+07 0.00e+00 a 0 0 0 0 0 45 51.441 2.216 3.999 1 T 1.179e+07 0.00e+00 a 0 0 0 0 0 46 51.405 2.086 4.002 1 T 2.721e+07 0.00e+00 a 0 0 0 0 0 47 51.442 1.954 4.001 1 T 1.399e+07 0.00e+00 a 0 0 0 0 0 48 51.406 4.448 4.000 1 T 6.328e+07 0.00e+00 a 0 0 0 0 0 49 32.432 1.167 1.586 1 T 1.596e+07 0.00e+00 a 0 0 0 0 0 50 32.411 1.155 1.545 1 T 1.756e+07 0.00e+00 a 0 0 0 0 0 51 32.418 1.143 1.596 1 T 1.338e+07 0.00e+00 a 0 0 0 0 0 52 32.413 4.078 1.595 1 T 1.446e+07 0.00e+00 a 0 0 0 0 0 53 32.406 4.076 1.547 1 T 1.377e+07 0.00e+00 a 0 0 0 0 0 54 37.430 1.279 1.694 1 T 1.155e+07 0.00e+00 a 0 0 0 0 0 55 37.488 0.864 1.692 1 T 4.861e+07 0.00e+00 a 0 0 0 0 0 56 37.469 0.727 1.697 1 T 1.460e+07 0.00e+00 a 0 0 0 0 0 57 37.459 0.703 1.694 1 T 1.616e+07 0.00e+00 a 0 0 0 0 0 58 37.477 3.715 1.693 1 T 4.034e+07 0.00e+00 a 0 0 0 0 0 59 37.482 8.223 1.693 1 T 6.196e+07 0.00e+00 a 0 0 0 0 0 60 27.041 3.998 1.949 1 T 1.159e+07 0.00e+00 a 0 0 0 0 0 61 26.997 3.786 2.004 1 T 2.232e+07 0.00e+00 a 0 0 0 0 0 62 27.118 3.748 1.959 1 T 2.706e+07 0.00e+00 a 0 0 0 0 0 63 27.365 3.721 1.973 1 T 3.101e+07 0.00e+00 a 0 0 0 0 0 64 27.426 3.708 1.979 1 T 2.539e+07 0.00e+00 a 0 0 0 0 0 65 27.056 3.564 2.006 1 T 2.825e+07 0.00e+00 a 0 0 0 0 0 66 27.433 3.552 1.976 1 T 2.139e+07 0.00e+00 a 0 0 0 0 0 67 43.662 0.995 1.588 1 T 2.837e+07 0.00e+00 a 0 0 0 0 0 68 43.702 4.510 1.585 1 T 1.792e+07 0.00e+00 a 0 0 0 0 0 69 43.700 6.462 1.588 1 T 1.143e+07 0.00e+00 a 0 0 0 0 0 70 33.790 8.001 1.623 1 T 1.428e+07 0.00e+00 a 0 0 0 0 0 71 27.066 0.991 1.657 1 T 5.288e+07 0.00e+00 a 0 0 0 0 0 72 26.878 0.851 1.690 1 T 1.541e+07 0.00e+00 a 0 0 0 0 0 73 26.853 0.710 1.684 1 T 3.066e+07 0.00e+00 a 0 0 0 0 0 74 26.874 0.669 1.698 1 T 3.033e+07 0.00e+00 a 0 0 0 0 0 75 26.834 3.295 1.678 1 T 1.227e+07 0.00e+00 a 0 0 0 0 0 76 29.277 1.321 1.637 1 T 4.639e+07 0.00e+00 a 0 0 0 0 0 77 29.597 1.305 1.626 1 T 4.161e+07 0.00e+00 a 0 0 0 0 0 78 29.154 1.199 1.606 1 T 1.371e+08 0.00e+00 a 0 0 0 0 0 79 29.693 1.161 1.638 1 T 4.318e+06 0.00e+00 a 0 0 0 0 0 80 29.206 0.839 1.606 1 T 2.079e+07 0.00e+00 a 0 0 0 0 0 81 29.220 0.630 1.606 1 T 2.435e+07 0.00e+00 a 0 0 0 0 0 83 29.269 4.288 1.626 1 T 3.507e+06 0.00e+00 a 0 0 0 0 0 85 29.246 4.085 1.617 1 T 4.470e+06 0.00e+00 a 0 0 0 0 0 86 29.241 3.910 1.633 1 T 1.069e+07 0.00e+00 a 0 0 0 0 0 87 29.257 3.743 1.626 1 T 3.734e+06 0.00e+00 a 0 0 0 0 0 88 29.221 3.611 1.616 1 T 1.003e+07 0.00e+00 a 0 0 0 0 0 89 29.746 3.123 1.608 1 T -1.242e+06 0.00e+00 a 0 0 0 0 0 90 29.204 3.037 1.586 1 T -3.105e+06 0.00e+00 a 0 0 0 0 0 91 29.258 3.012 1.619 1 T 1.606e+06 0.00e+00 a 0 0 0 0 0 92 29.562 2.944 1.620 1 T 2.152e+07 0.00e+00 a 0 0 0 0 0 93 29.133 2.908 1.607 1 T 3.580e+07 0.00e+00 a 0 0 0 0 0 94 29.270 2.883 1.638 1 T 3.298e+07 0.00e+00 a 0 0 0 0 0 95 29.726 2.835 1.644 1 T 1.460e+07 0.00e+00 a 0 0 0 0 0 96 29.756 2.674 1.570 1 T 9.737e+06 0.00e+00 a 0 0 0 0 0 97 29.244 2.670 1.635 1 T 4.110e+06 0.00e+00 a 0 0 0 0 0 98 29.283 2.477 1.612 1 T 4.638e+06 0.00e+00 a 0 0 0 0 0 100 29.239 2.342 1.629 1 T 8.128e+06 0.00e+00 a 0 0 0 0 0 101 29.286 2.286 1.631 1 T 1.107e+07 0.00e+00 a 0 0 0 0 0 102 29.230 2.247 1.598 1 T 7.400e+06 0.00e+00 a 0 0 0 0 0 104 29.241 2.085 1.603 1 T 3.599e+06 0.00e+00 a 0 0 0 0 0 105 29.689 8.325 1.637 1 T -1.091e+06 0.00e+00 a 0 0 0 0 0 106 29.217 8.305 1.602 1 T 1.614e+07 0.00e+00 a 0 0 0 0 0 110 41.843 1.669 2.329 1 T 1.420e+07 0.00e+00 a 0 0 0 0 0 111 41.868 1.272 2.328 1 T 1.349e+07 0.00e+00 a 0 0 0 0 0 112 41.872 0.912 2.329 1 T 1.707e+07 0.00e+00 a 0 0 0 0 0 113 41.871 0.796 2.328 1 T 1.352e+07 0.00e+00 a 0 0 0 0 0 114 41.861 0.622 2.328 1 T 2.904e+07 0.00e+00 a 0 0 0 0 0 115 41.838 3.919 2.329 1 T 3.191e+07 0.00e+00 a 0 0 0 0 0 116 41.879 3.687 2.329 1 T 1.463e+07 0.00e+00 a 0 0 0 0 0 117 41.853 3.016 2.328 1 T 1.424e+08 0.00e+00 a 0 0 0 0 0 118 41.897 2.921 2.326 1 T 1.005e+07 0.00e+00 a 0 0 0 0 0 119 41.858 8.458 2.329 1 T 3.213e+07 0.00e+00 a 0 0 0 0 0 120 24.776 1.752 1.429 1 T 2.866e+07 0.00e+00 a 0 0 0 0 0 121 27.330 0.622 0.990 1 T 4.188e+07 0.00e+00 a 0 0 0 0 0 122 27.334 0.467 0.991 1 T 2.696e+07 0.00e+00 a 0 0 0 0 0 123 27.341 3.702 0.991 1 T 1.911e+07 0.00e+00 a 0 0 0 0 0 124 27.193 1.657 0.991 1 T 8.713e+07 0.00e+00 a 0 0 0 0 0 125 26.999 1.512 0.972 1 T 3.648e+06 0.00e+00 a 0 0 0 0 0 126 27.391 1.295 0.990 1 T 8.854e+06 0.00e+00 a 0 0 0 0 0 127 27.329 7.175 0.990 1 T 3.134e+07 0.00e+00 a 0 0 0 0 0 128 56.889 2.640 4.380 1 T 3.108e+07 0.00e+00 a 0 0 0 0 0 129 56.684 2.623 4.351 1 T 3.562e+07 0.00e+00 a 0 0 0 0 0 130 56.919 1.370 4.382 1 T 1.517e+07 0.00e+00 a 0 0 0 0 0 131 56.929 8.186 4.382 1 T 1.255e+07 0.00e+00 a 0 0 0 0 0 132 49.859 2.114 3.783 1 T 1.323e+07 0.00e+00 a 0 0 0 0 0 133 49.900 2.007 3.782 1 T 2.895e+07 0.00e+00 a 0 0 0 0 0 134 49.903 4.829 3.782 1 T 6.184e+07 0.00e+00 a 0 0 0 0 0 135 38.245 4.627 2.847 1 T 2.131e+07 0.00e+00 a 0 0 0 0 0 136 38.212 4.510 2.823 1 T 5.166e+07 0.00e+00 a 0 0 0 0 0 137 38.184 4.012 2.823 1 T 3.337e+07 0.00e+00 a 0 0 0 0 0 138 38.206 8.242 2.823 1 T 4.106e+07 0.00e+00 a 0 0 0 0 0 139 38.166 7.840 2.823 1 T 2.001e+07 0.00e+00 a 0 0 0 0 0 140 38.140 7.636 2.822 1 T 1.987e+07 0.00e+00 a 0 0 0 0 0 141 38.207 7.475 2.847 1 T 1.442e+07 0.00e+00 a 0 0 0 0 0 142 40.886 4.829 2.464 1 T 2.240e+07 0.00e+00 a 0 0 0 0 0 143 40.804 4.829 2.451 1 T 1.867e+07 0.00e+00 a 0 0 0 0 0 144 41.425 4.542 2.489 1 T 1.761e+06 0.00e+00 a 0 0 0 0 0 145 41.415 4.502 2.477 1 T 5.146e+06 0.00e+00 a 0 0 0 0 0 146 40.857 2.927 2.455 1 T 2.079e+08 0.00e+00 a 0 0 0 0 0 147 18.423 0.933 1.524 1 T 1.869e+07 0.00e+00 a 0 0 0 0 0 148 18.461 4.153 1.523 1 T 1.076e+08 0.00e+00 a 0 0 0 0 0 149 18.618 2.564 1.523 1 T 1.038e+07 0.00e+00 a 0 0 0 0 0 150 18.432 1.825 1.520 1 T 9.907e+06 0.00e+00 a 0 0 0 0 0 151 18.484 7.977 1.524 1 T 7.027e+07 0.00e+00 a 0 0 0 0 0 152 18.484 7.473 1.524 1 T 1.697e+07 0.00e+00 a 0 0 0 0 0 153 26.551 0.802 1.248 1 T 1.735e+07 0.00e+00 a 0 0 0 0 0 154 26.497 0.557 1.305 1 T 6.548e+07 0.00e+00 a 0 0 0 0 0 155 26.527 3.685 1.249 1 T 2.296e+07 0.00e+00 a 0 0 0 0 0 156 26.544 1.855 1.247 1 T 2.118e+07 0.00e+00 a 0 0 0 0 0 157 26.450 7.901 1.306 1 T 2.224e+07 0.00e+00 a 0 0 0 0 0 158 29.166 0.854 1.199 1 T 1.908e+07 0.00e+00 a 0 0 0 0 0 159 28.739 0.853 1.255 1 T 1.364e+07 0.00e+00 a 0 0 0 0 0 160 29.158 0.611 1.199 1 T 2.964e+07 0.00e+00 a 0 0 0 0 0 161 29.175 3.622 1.198 1 T 1.625e+07 0.00e+00 a 0 0 0 0 0 162 29.142 1.987 1.199 1 T 1.301e+07 0.00e+00 a 0 0 0 0 0 163 29.150 1.603 1.197 1 T 1.471e+08 0.00e+00 a 0 0 0 0 0 164 29.192 8.309 1.197 1 T 1.266e+07 0.00e+00 a 0 0 0 0 0 165 32.533 1.566 1.904 1 T 1.680e+07 0.00e+00 a 0 0 0 0 0 166 32.314 1.536 1.856 1 T 5.012e+07 0.00e+00 a 0 0 0 0 0 167 32.440 1.316 1.887 1 T 2.176e+07 0.00e+00 a 0 0 0 0 0 168 32.425 1.309 1.862 1 T 2.689e+07 0.00e+00 a 0 0 0 0 0 169 32.042 1.263 1.855 1 T 2.352e+07 0.00e+00 a 0 0 0 0 0 170 32.006 4.377 1.880 1 T 3.165e+07 0.00e+00 a 0 0 0 0 0 171 32.375 4.351 1.899 1 T 3.038e+07 0.00e+00 a 0 0 0 0 0 172 32.436 4.012 1.865 1 T 4.213e+07 0.00e+00 a 0 0 0 0 0 173 32.418 3.923 1.860 1 T 3.937e+07 0.00e+00 a 0 0 0 0 0 174 32.423 3.801 1.897 1 T 1.688e+07 0.00e+00 a 0 0 0 0 0 175 32.004 3.769 1.886 1 T 1.228e+07 0.00e+00 a 0 0 0 0 0 176 31.997 3.684 1.854 1 T 2.358e+07 0.00e+00 a 0 0 0 0 0 177 31.952 3.562 1.878 1 T 1.464e+07 0.00e+00 a 0 0 0 0 0 178 32.413 2.215 1.899 1 T 2.374e+08 0.00e+00 a 0 0 0 0 0 179 31.954 2.220 1.879 1 T 2.542e+08 0.00e+00 a 0 0 0 0 0 180 32.050 8.400 1.855 1 T 1.299e+07 0.00e+00 a 0 0 0 0 0 181 32.454 7.933 1.859 1 T 2.875e+07 0.00e+00 a 0 0 0 0 0 182 32.548 7.929 1.898 1 T 2.313e+07 0.00e+00 a 0 0 0 0 0 183 32.402 7.656 1.866 1 T 6.257e+07 0.00e+00 a 0 0 0 0 0 184 50.513 2.005 3.548 1 T 4.356e+07 0.00e+00 a 0 0 0 0 0 185 50.496 1.904 3.549 1 T 1.520e+07 0.00e+00 a 0 0 0 0 0 186 50.522 1.368 3.547 1 T 3.137e+07 0.00e+00 a 0 0 0 0 0 187 50.545 4.271 3.547 1 T 5.819e+07 0.00e+00 a 0 0 0 0 0 192 24.661 3.898 0.525 1 T 9.971e+06 0.00e+00 a 0 0 0 0 0 193 24.680 3.617 0.521 1 T 1.071e+07 0.00e+00 a 0 0 0 0 0 194 24.642 1.412 0.526 1 T 2.551e+07 0.00e+00 a 0 0 0 0 0 195 24.319 1.298 0.525 1 T 1.974e+07 0.00e+00 a 0 0 0 0 0 196 24.661 1.046 0.524 1 T 1.864e+07 0.00e+00 a 0 0 0 0 0 197 24.704 7.156 0.527 1 T 6.615e+06 0.00e+00 a 0 0 0 0 0 198 24.694 7.074 0.522 1 T 9.334e+06 0.00e+00 a 0 0 0 0 0 199 56.477 1.560 4.079 1 T 3.129e+07 0.00e+00 a 0 0 0 0 0 200 56.476 1.144 4.078 1 T 1.638e+07 0.00e+00 a 0 0 0 0 0 201 56.575 8.026 4.078 1 T 2.228e+07 0.00e+00 a 0 0 0 0 0 202 55.089 1.686 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7.160e+07 0.00e+00 a 0 0 0 0 0 221 59.208 1.542 3.922 1 T 7.687e+06 0.00e+00 a 0 0 0 0 0 222 59.295 1.309 3.918 1 T 2.938e+07 0.00e+00 a 0 0 0 0 0 223 58.662 0.664 3.901 1 T -2.971e+05 0.00e+00 a 0 0 0 0 0 224 58.732 8.511 3.883 1 T 1.564e+07 0.00e+00 a 0 0 0 0 0 225 58.735 8.123 3.884 1 T 7.330e+06 0.00e+00 a 0 0 0 0 0 226 59.294 7.917 3.918 1 T 2.576e+07 0.00e+00 a 0 0 0 0 0 227 59.081 7.773 3.924 1 T 2.591e+07 0.00e+00 a 0 0 0 0 0 228 59.140 7.646 3.923 1 T 1.090e+07 0.00e+00 a 0 0 0 0 0 229 59.212 7.134 3.901 1 T 2.959e+05 0.00e+00 a 0 0 0 0 0 231 59.165 7.076 3.922 1 T 9.736e+06 0.00e+00 a 0 0 0 0 0 232 59.230 7.000 3.918 1 T 1.039e+07 0.00e+00 a 0 0 0 0 0 233 50.520 1.998 3.709 1 T 3.954e+07 0.00e+00 a 0 0 0 0 0 234 50.513 1.368 3.709 1 T 1.477e+07 0.00e+00 a 0 0 0 0 0 235 50.529 4.273 3.709 1 T 7.819e+07 0.00e+00 a 0 0 0 0 0 236 57.363 1.773 4.104 1 T 2.040e+07 0.00e+00 a 0 0 0 0 0 237 57.435 1.745 4.112 1 T 1.661e+07 0.00e+00 a 0 0 0 0 0 238 57.491 1.643 4.112 1 T 3.821e+07 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1.869e+07 0.00e+00 a 0 0 0 0 0 313 42.776 0.666 1.776 1 T 3.241e+07 0.00e+00 a 0 0 0 0 0 314 42.737 3.825 1.774 1 T 2.224e+07 0.00e+00 a 0 0 0 0 0 315 42.773 3.619 1.775 1 T 1.065e+07 0.00e+00 a 0 0 0 0 0 316 42.762 7.888 1.775 1 T 3.361e+07 0.00e+00 a 0 0 0 0 0 317 30.072 3.367 0.615 1 T 1.704e+07 0.00e+00 a 0 0 0 0 0 318 30.067 1.701 0.615 1 T 1.087e+08 0.00e+00 a 0 0 0 0 0 319 39.259 1.609 2.929 1 T 8.181e+06 0.00e+00 a 0 0 0 0 0 320 39.092 0.870 2.932 1 T 2.528e+07 0.00e+00 a 0 0 0 0 0 321 39.101 0.790 2.934 1 T 3.593e+07 0.00e+00 a 0 0 0 0 0 322 38.846 0.654 2.920 1 T 2.063e+07 0.00e+00 a 0 0 0 0 0 323 39.119 0.484 2.933 1 T 3.348e+07 0.00e+00 a 0 0 0 0 0 324 39.118 4.527 2.932 1 T 3.181e+07 0.00e+00 a 0 0 0 0 0 325 38.840 3.804 2.921 1 T 2.916e+07 0.00e+00 a 0 0 0 0 0 326 39.094 8.301 2.932 1 T 1.743e+07 0.00e+00 a 0 0 0 0 0 327 38.810 8.136 2.919 1 T 3.028e+07 0.00e+00 a 0 0 0 0 0 328 39.116 7.682 2.933 1 T 2.683e+07 0.00e+00 a 0 0 0 0 0 329 39.102 7.164 2.933 1 T 5.892e+07 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0 0 0 1583 28.811 4.411 1.593 1 T -8.993e+05 0.00e+00 a 0 0 0 0 0 1584 28.912 3.886 1.616 1 T 1.145e+07 0.00e+00 a 0 0 0 0 0 1586 28.777 2.778 1.639 1 T -2.059e+05 0.00e+00 a 0 0 0 0 0 1587 28.905 2.373 1.613 1 T 1.214e+07 0.00e+00 a 0 0 0 0 0 1594 28.779 7.893 1.619 1 T -4.714e+05 0.00e+00 a 0 0 0 0 0 1595 28.818 7.484 1.626 1 T -1.286e+06 0.00e+00 a 0 0 0 0 0 1596 28.797 7.349 1.621 1 T -1.572e+06 0.00e+00 a 0 0 0 0 0 1597 28.774 7.030 1.627 1 T 1.148e+05 0.00e+00 a 0 0 0 0 0 1603 17.465 4.312 0.850 1 T 4.597e+06 0.00e+00 a 0 0 0 0 0 1604 17.503 1.443 0.854 1 T 7.150e+06 0.00e+00 a 0 0 0 0 0 1605 17.533 7.868 0.851 1 T 5.600e+06 0.00e+00 a 0 0 0 0 0 1606 54.189 2.483 4.522 1 T 4.330e+06 0.00e+00 a 0 0 0 0 0 1607 54.196 4.926 4.510 1 T -1.897e+06 0.00e+00 a 0 0 0 0 0 1608 41.924 2.905 1.700 1 T 1.119e+07 0.00e+00 a 0 0 0 0 0 1609 34.142 8.444 2.240 1 T 8.151e+06 0.00e+00 a 0 0 0 0 0 1610 63.136 4.524 4.096 1 T 8.209e+06 0.00e+00 a 0 0 0 0 0 1611 55.866 0.606 4.309 1 T 9.610e+06 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6.024e+06 0.00e+00 a 0 0 0 0 0 1637 17.891 2.017 1.364 1 T 5.657e+06 0.00e+00 a 0 0 0 0 0 1638 17.585 1.727 1.412 1 T 6.896e+06 0.00e+00 a 0 0 0 0 0 1640 17.774 8.227 1.410 1 T 7.145e+06 0.00e+00 a 0 0 0 0 0 1642 17.879 7.134 1.368 1 T 3.027e+05 0.00e+00 a 0 0 0 0 0 1646 28.515 1.694 1.259 1 T 1.057e+07 0.00e+00 a 0 0 0 0 0 1647 28.617 8.223 1.262 1 T 1.289e+07 0.00e+00 a 0 0 0 0 0 1648 37.409 1.278 2.196 1 T -1.026e+06 0.00e+00 a 0 0 0 0 0 1652 28.259 0.667 1.583 1 T 2.016e+06 0.00e+00 a 0 0 0 0 0 1663 28.150 8.461 1.590 1 T 7.731e+06 0.00e+00 a 0 0 0 0 0 1666 28.416 7.660 1.539 1 T 8.066e+06 0.00e+00 a 0 0 0 0 0 1667 28.380 7.185 1.541 1 T 9.836e+06 0.00e+00 a 0 0 0 0 0 1675 63.234 4.343 3.877 1 T 5.700e+06 0.00e+00 a 0 0 0 0 0 1676 63.129 8.116 3.925 1 T 1.003e+07 0.00e+00 a 0 0 0 0 0 1677 62.862 7.937 3.868 1 T 9.790e+06 0.00e+00 a 0 0 0 0 0 1678 41.527 2.320 2.923 1 T 3.342e+06 0.00e+00 a 0 0 0 0 0 1679 41.522 2.005 2.921 1 T 3.620e+05 0.00e+00 a 0 0 0 0 0 1680 41.455 0.730 2.929 1 T 1.260e+06 0.00e+00 a 0 0 0 0 0 1681 41.467 4.376 2.942 1 T 6.104e+05 0.00e+00 a 0 0 0 0 0 1684 41.481 7.187 2.918 1 T 1.855e+06 0.00e+00 a 0 0 0 0 0 1699 35.590 6.940 2.219 1 T 1.446e+06 0.00e+00 a 0 0 0 0 0 1702 41.309 4.537 2.567 1 T 1.012e+07 0.00e+00 a 0 0 0 0 0 1703 28.316 1.820 2.091 1 T 5.053e+06 0.00e+00 a 0 0 0 0 0 1704 27.900 0.635 2.123 1 T 3.093e+06 0.00e+00 a 0 0 0 0 0 1705 27.909 3.729 2.133 1 T 7.082e+06 0.00e+00 a 0 0 0 0 0 1706 25.135 8.423 1.438 1 T 7.656e+06 0.00e+00 a 0 0 0 0 0 1709 28.822 3.959 1.520 1 T 3.028e+06 0.00e+00 a 0 0 0 0 0 1711 28.881 2.846 1.503 1 T 1.089e+07 0.00e+00 a 0 0 0 0 0 1712 28.788 2.572 1.530 1 T 3.576e+06 0.00e+00 a 0 0 0 0 0 1714 28.787 1.938 1.542 1 T 6.235e+06 0.00e+00 a 0 0 0 0 0 1715 28.321 8.975 1.530 1 T 2.678e+05 0.00e+00 a 0 0 0 0 0 1716 28.610 8.737 1.540 1 T 7.579e+06 0.00e+00 a 0 0 0 0 0 1719 22.383 0.601 0.910 1 T 5.593e+06 0.00e+00 a 0 0 0 0 0 1720 22.367 0.473 0.909 1 T 6.946e+06 0.00e+00 a 0 0 0 0 0 1721 22.395 4.413 0.909 1 T 2.426e+06 0.00e+00 a 0 0 0 0 0 1722 22.376 4.399 0.915 1 T 3.378e+06 0.00e+00 a 0 0 0 0 0 1723 22.363 3.701 0.909 1 T 5.723e+06 0.00e+00 a 0 0 0 0 0 1724 22.098 3.681 0.917 1 T 5.216e+06 0.00e+00 a 0 0 0 0 0 1725 22.419 3.551 0.916 1 T 7.561e+05 0.00e+00 a 0 0 0 0 0 1726 22.251 3.373 0.909 1 T 8.748e+06 0.00e+00 a 0 0 0 0 0 1727 22.334 3.009 0.913 1 T 6.312e+06 0.00e+00 a 0 0 0 0 0 1729 22.020 2.840 0.916 1 T 4.393e+06 0.00e+00 a 0 0 0 0 0 1730 22.405 2.207 0.907 1 T 3.023e+06 0.00e+00 a 0 0 0 0 0 1731 22.368 2.104 0.915 1 T 2.400e+06 0.00e+00 a 0 0 0 0 0 1733 22.092 9.011 0.910 1 T 9.018e+06 0.00e+00 a 0 0 0 0 0 1734 22.343 6.468 0.915 1 T 4.143e+06 0.00e+00 a 0 0 0 0 0 1744 30.450 3.155 1.683 1 T 1.017e+07 0.00e+00 a 0 0 0 0 0 1746 30.155 2.752 1.690 1 T -5.410e+05 0.00e+00 a 0 0 0 0 0 1750 36.490 0.665 2.362 1 T 1.669e+05 0.00e+00 a 0 0 0 0 0 1752 36.928 8.316 2.361 1 T 4.944e+06 0.00e+00 a 0 0 0 0 0 1753 36.467 8.216 2.368 1 T 4.337e+06 0.00e+00 a 0 0 0 0 0 1754 37.038 8.181 2.383 1 T 2.723e+06 0.00e+00 a 0 0 0 0 0 1755 36.478 7.577 2.370 1 T 5.929e+04 0.00e+00 a 0 0 0 0 0 1762 55.145 8.389 3.932 1 T 8.276e+06 0.00e+00 a 0 0 0 0 0 1768 37.660 3.934 2.764 1 T 1.313e+07 0.00e+00 a 0 0 0 0 0 1769 31.940 3.951 1.654 1 T 8.843e+06 0.00e+00 a 0 0 0 0 0 1770 31.909 2.873 1.647 1 T 2.001e+06 0.00e+00 a 0 0 0 0 0 1771 31.999 2.189 1.660 1 T 5.848e+06 0.00e+00 a 0 0 0 0 0 1772 31.943 1.986 1.662 1 T 7.915e+06 0.00e+00 a 0 0 0 0 0 1773 31.906 8.228 1.663 1 T 1.095e+07 0.00e+00 a 0 0 0 0 0 1774 26.634 0.613 1.523 1 T 4.197e+06 0.00e+00 a 0 0 0 0 0 1775 26.828 4.110 1.517 1 T 8.472e+06 0.00e+00 a 0 0 0 0 0 1776 26.548 2.848 1.521 1 T 3.844e+06 0.00e+00 a 0 0 0 0 0 1777 26.557 2.770 1.521 1 T 2.818e+06 0.00e+00 a 0 0 0 0 0 1778 26.834 1.870 1.524 1 T 1.062e+07 0.00e+00 a 0 0 0 0 0 1779 26.904 8.222 1.474 1 T 8.600e+06 0.00e+00 a 0 0 0 0 0 1780 26.912 7.924 1.517 1 T 6.952e+06 0.00e+00 a 0 0 0 0 0 1781 55.419 1.934 4.028 1 T 1.112e+07 0.00e+00 a 0 0 0 0 0 1782 55.473 1.466 4.022 1 T 5.536e+06 0.00e+00 a 0 0 0 0 0 1784 55.483 8.309 4.028 1 T 8.262e+06 0.00e+00 a 0 0 0 0 0 1785 35.942 1.526 2.564 1 T 1.155e+07 0.00e+00 a 0 0 0 0 0 1786 35.968 0.928 2.556 1 T 8.580e+06 0.00e+00 a 0 0 0 0 0 1787 35.928 4.302 2.565 1 T 1.225e+07 0.00e+00 a 0 0 0 0 0 1788 35.885 7.470 2.559 1 T 1.087e+07 0.00e+00 a 0 0 0 0 0 1790 40.051 2.362 2.927 1 T 1.012e+07 0.00e+00 a 0 0 0 0 0 1791 39.785 2.102 2.920 1 T 1.045e+07 0.00e+00 a 0 0 0 0 0 1792 39.572 4.867 2.931 1 T 1.015e+07 0.00e+00 a 0 0 0 0 0 1795 53.917 8.741 4.500 1 T 1.233e+07 0.00e+00 a 0 0 0 0 0 1796 51.423 1.284 3.747 1 T 7.653e+06 0.00e+00 a 0 0 0 0 0 1798 29.664 4.034 1.935 1 T 1.270e+07 0.00e+00 a 0 0 0 0 0 1801 58.210 1.743 3.917 1 T 9.098e+06 0.00e+00 a 0 0 0 0 0 1802 29.254 0.815 1.512 1 T 6.519e+06 0.00e+00 a 0 0 0 0 0 1803 29.247 0.628 1.522 1 T 1.076e+06 0.00e+00 a 0 0 0 0 0 1804 21.500 2.401 1.196 1 T 5.542e+06 0.00e+00 a 0 0 0 0 0 1805 21.531 1.784 1.196 1 T 5.153e+06 0.00e+00 a 0 0 0 0 0 1806 21.533 1.674 1.197 1 T 6.016e+06 0.00e+00 a 0 0 0 0 0 1807 21.509 8.848 1.196 1 T 1.749e+06 0.00e+00 a 0 0 0 0 0 1809 40.554 2.008 2.929 1 T -8.580e+05 0.00e+00 a 0 0 0 0 0 1810 40.533 1.979 2.923 1 T -6.761e+05 0.00e+00 a 0 0 0 0 0 1811 41.032 1.897 2.920 1 T -8.366e+04 0.00e+00 a 0 0 0 0 0 1812 41.036 1.787 2.922 1 T -2.906e+05 0.00e+00 a 0 0 0 0 0 1814 40.678 0.895 2.921 1 T 1.040e+07 0.00e+00 a 0 0 0 0 0 1815 41.011 0.661 2.920 1 T -2.004e+06 0.00e+00 a 0 0 0 0 0 1818 40.540 4.538 2.925 1 T -1.521e+06 0.00e+00 a 0 0 0 0 0 1819 40.590 4.239 2.919 1 T -2.307e+05 0.00e+00 a 0 0 0 0 0 1825 40.976 8.460 2.941 1 T 9.552e+05 0.00e+00 a 0 0 0 0 0 1829 40.971 7.466 2.927 1 T 6.043e+06 0.00e+00 a 0 0 0 0 0 1830 40.981 7.466 2.914 1 T 5.704e+06 0.00e+00 a 0 0 0 0 0 1840 26.524 3.325 1.528 1 T 7.076e+03 0.00e+00 a 0 0 0 0 0 1842 26.510 7.100 1.531 1 T 1.699e+06 0.00e+00 a 0 0 0 0 0 1843 64.096 7.777 3.726 1 T 1.021e+07 0.00e+00 a 0 0 0 0 0 1844 47.026 7.688 3.681 1 T 8.481e+06 0.00e+00 a 0 0 0 0 0 1845 41.839 3.890 1.042 1 T 7.897e+06 0.00e+00 a 0 0 0 0 0 1846 49.930 2.221 3.572 1 T 9.514e+06 0.00e+00 a 0 0 0 0 0 1847 49.751 7.463 3.575 1 T 6.945e+06 0.00e+00 a 0 0 0 0 0 1848 42.982 0.583 3.161 1 T 1.154e+07 0.00e+00 a 0 0 0 0 0 1849 26.819 0.789 1.411 1 T 1.056e+07 0.00e+00 a 0 0 0 0 0 1850 26.650 0.588 1.397 1 T 1.019e+07 0.00e+00 a 0 0 0 0 0 1853 30.565 1.394 1.824 1 T 7.749e+06 0.00e+00 a 0 0 0 0 0 1854 30.574 3.880 1.829 1 T 7.289e+06 0.00e+00 a 0 0 0 0 0 1855 30.557 3.179 1.819 1 T 5.815e+06 0.00e+00 a 0 0 0 0 0 1860 40.053 4.016 2.691 1 T 9.474e+06 0.00e+00 a 0 0 0 0 0 1861 40.013 7.972 2.695 1 T 8.798e+06 0.00e+00 a 0 0 0 0 0 1862 29.233 7.659 1.798 1 T 8.651e+06 0.00e+00 a 0 0 0 0 0 1864 37.426 8.223 2.371 1 T 5.725e+06 0.00e+00 a 0 0 0 0 0 1865 18.715 3.737 0.918 1 T 5.308e+06 0.00e+00 a 0 0 0 0 0 1866 18.464 2.369 0.916 1 T 5.263e+06 0.00e+00 a 0 0 0 0 0 1867 18.695 2.341 0.917 1 T 4.731e+06 0.00e+00 a 0 0 0 0 0 1868 18.643 2.003 0.916 1 T 5.039e+06 0.00e+00 a 0 0 0 0 0 1869 18.601 1.852 0.917 1 T 4.478e+06 0.00e+00 a 0 0 0 0 0 1870 18.524 7.474 0.917 1 T 7.028e+06 0.00e+00 a 0 0 0 0 0 1871 57.381 4.899 3.812 1 T 4.871e+04 0.00e+00 a 0 0 0 0 0 1874 41.897 8.459 1.629 1 T 9.778e+06 0.00e+00 a 0 0 0 0 0 1877 13.748 7.167 0.485 1 T 6.433e+06 0.00e+00 a 0 0 0 0 0 1879 21.136 4.540 0.818 1 T 1.234e+06 0.00e+00 a 0 0 0 0 0 1880 21.503 3.901 0.820 1 T 3.757e+06 0.00e+00 a 0 0 0 0 0 1881 21.506 2.935 0.820 1 T 6.763e+06 0.00e+00 a 0 0 0 0 0 1883 21.419 2.471 0.821 1 T 6.374e+06 0.00e+00 a 0 0 0 0 0 1884 21.133 2.437 0.819 1 T 3.469e+06 0.00e+00 a 0 0 0 0 0 1885 21.151 2.158 0.821 1 T 4.416e+06 0.00e+00 a 0 0 0 0 0 1887 21.158 1.652 0.818 1 T 4.024e+06 0.00e+00 a 0 0 0 0 0 1891 26.769 0.801 1.527 1 T 1.248e+07 0.00e+00 a 0 0 0 0 0 1893 60.523 8.760 4.414 1 T 7.782e+06 0.00e+00 a 0 0 0 0 0 1894 60.528 8.737 4.406 1 T 7.528e+06 0.00e+00 a 0 0 0 0 0 1898 23.747 4.408 0.808 1 T 4.746e+06 0.00e+00 a 0 0 0 0 0 1900 23.854 3.340 0.808 1 T 4.119e+06 0.00e+00 a 0 0 0 0 0 1901 23.720 2.020 0.787 1 T 3.153e+06 0.00e+00 a 0 0 0 0 0 1905 23.761 7.695 0.808 1 T -2.302e+06 0.00e+00 a 0 0 0 0 0 1907 23.804 7.208 0.813 1 T 1.798e+03 0.00e+00 a 0 0 0 0 0 1908 23.784 6.859 0.807 1 T -1.628e+06 0.00e+00 a 0 0 0 0 0 1914 24.726 3.710 0.950 1 T 2.409e+06 0.00e+00 a 0 0 0 0 0 1915 24.720 3.390 0.954 1 T 6.061e+06 0.00e+00 a 0 0 0 0 0 1916 24.743 2.387 0.957 1 T 8.344e+06 0.00e+00 a 0 0 0 0 0 1917 24.730 1.390 0.952 1 T 6.830e+06 0.00e+00 a 0 0 0 0 0 1918 41.070 2.771 2.467 1 T 3.252e+06 0.00e+00 a 0 0 0 0 0 1919 29.770 0.846 1.559 1 T 1.262e+07 0.00e+00 a 0 0 0 0 0 1921 30.210 3.796 1.583 1 T 1.890e+06 0.00e+00 a 0 0 0 0 0 1922 30.119 3.313 1.530 1 T 3.947e+05 0.00e+00 a 0 0 0 0 0 1924 29.727 3.244 1.537 1 T -1.992e+06 0.00e+00 a 0 0 0 0 0 1927 63.295 1.983 4.340 1 T 8.307e+06 0.00e+00 a 0 0 0 0 0 1928 40.353 2.131 1.274 1 T 1.186e+07 0.00e+00 a 0 0 0 0 0 1929 29.685 7.108 3.330 1 T 9.000e+06 0.00e+00 a 0 0 0 0 0 1930 26.075 2.766 1.314 1 T 7.901e+06 0.00e+00 a 0 0 0 0 0 1936 47.063 2.130 3.749 1 T 1.027e+07 0.00e+00 a 0 0 0 0 0 1941 18.341 2.913 1.370 1 T 1.994e+06 0.00e+00 a 0 0 0 0 0 1944 18.380 7.205 1.368 1 T 5.648e+05 0.00e+00 a 0 0 0 0 0 1945 18.357 6.961 1.379 1 T 3.656e+06 0.00e+00 a 0 0 0 0 0 1946 18.331 6.803 1.369 1 T -2.939e+05 0.00e+00 a 0 0 0 0 0 1949 63.108 1.379 3.709 1 T 7.667e+06 0.00e+00 a 0 0 0 0 0 1952 63.211 4.069 3.715 1 T 3.205e+06 0.00e+00 a 0 0 0 0 0 1953 41.875 0.793 3.019 1 T 1.089e+07 0.00e+00 a 0 0 0 0 0 1954 41.864 0.619 3.019 1 T 1.185e+07 0.00e+00 a 0 0 0 0 0 1955 41.882 6.787 3.018 1 T 8.266e+06 0.00e+00 a 0 0 0 0 0 1956 12.951 1.421 0.733 1 T 3.930e+06 0.00e+00 a 0 0 0 0 0 1957 12.921 8.224 0.735 1 T 8.013e+06 0.00e+00 a 0 0 0 0 0 1958 12.935 7.887 0.735 1 T 6.840e+06 0.00e+00 a 0 0 0 0 0 1959 39.683 1.591 3.226 1 T 9.259e+06 0.00e+00 a 0 0 0 0 0 1960 39.706 7.062 3.237 1 T 9.673e+06 0.00e+00 a 0 0 0 0 0 1961 65.077 7.128 3.372 1 T 9.170e+06 0.00e+00 a 0 0 0 0 0 1964 34.177 8.271 2.379 1 T 1.340e+05 0.00e+00 a 0 0 0 0 0 1968 34.173 7.807 2.383 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0 1970 34.203 7.536 2.353 1 T 4.827e+06 0.00e+00 a 0 0 0 0 0 1971 34.225 8.990 2.363 1 T -6.518e+05 0.00e+00 a 0 0 0 0 0 1972 34.233 8.971 2.367 1 T -3.085e+05 0.00e+00 a 0 0 0 0 0 1974 34.081 8.662 2.373 1 T 1.859e+06 0.00e+00 a 0 0 0 0 0 1978 34.109 7.047 2.332 1 T 5.815e+06 0.00e+00 a 0 0 0 0 0 1980 34.148 6.938 2.368 1 T 2.014e+06 0.00e+00 a 0 0 0 0 0 1981 34.173 6.896 2.359 1 T 7.572e+05 0.00e+00 a 0 0 0 0 0 2494 133.536 4.496 7.084 1 T 1.241e+06 0.00e+00 a 0 0 0 0 0 2495 133.454 3.905 7.074 1 T 1.063e+07 0.00e+00 a 0 0 0 0 0 2496 133.396 3.125 7.072 1 T 1.921e+07 0.00e+00 a 0 0 0 0 0 2497 133.531 2.363 7.073 1 T 2.686e+06 0.00e+00 a 0 0 0 0 0 2499 133.433 1.707 7.075 1 T 4.946e+05 0.00e+00 a 0 0 0 0 0 2500 133.537 1.047 7.072 1 T 5.193e+05 0.00e+00 a 0 0 0 0 0 2501 133.569 0.535 7.074 1 T 3.394e+06 0.00e+00 a 0 0 0 0 0 2504 133.486 7.850 7.074 1 T 2.080e+06 0.00e+00 a 0 0 0 0 0 2510 133.114 4.527 7.065 1 T 1.060e+06 0.00e+00 a 0 0 0 0 0 2512 133.055 3.389 7.062 1 T -2.271e+05 0.00e+00 a 0 0 0 0 0 2513 133.065 1.944 7.074 1 T 9.701e+05 0.00e+00 a 0 0 0 0 0 2514 133.021 1.179 7.074 1 T 3.507e+05 0.00e+00 a 0 0 0 0 0 2528 133.182 8.324 7.073 1 T 2.756e+06 0.00e+00 a 0 0 0 0 0 2531 133.054 8.131 7.076 1 T 1.532e+06 0.00e+00 a 0 0 0 0 0 2532 133.224 7.981 7.072 1 T 2.618e+06 0.00e+00 a 0 0 0 0 0 2752 130.761 4.520 7.180 1 T 2.919e+06 0.00e+00 a 0 0 0 0 0 2753 130.826 4.505 7.177 1 T 8.649e+05 0.00e+00 a 0 0 0 0 0 2755 130.803 4.439 7.182 1 T -3.484e+05 0.00e+00 a 0 0 0 0 0 2756 130.745 4.279 7.173 1 T -1.478e+06 0.00e+00 a 0 0 0 0 0 2759 130.778 4.123 7.172 1 T -1.123e+06 0.00e+00 a 0 0 0 0 0 2761 130.822 3.921 7.161 1 T 1.470e+06 0.00e+00 a 0 0 0 0 0 2763 130.752 3.858 7.171 1 T 1.051e+06 0.00e+00 a 0 0 0 0 0 2764 130.761 3.717 7.182 1 T 2.214e+06 0.00e+00 a 0 0 0 0 0 2770 130.827 2.921 7.184 1 T 4.487e+06 0.00e+00 a 0 0 0 0 0 2771 130.780 2.831 7.182 1 T -1.554e+05 0.00e+00 a 0 0 0 0 0 2775 130.718 2.247 7.174 1 T -1.865e+05 0.00e+00 a 0 0 0 0 0 2777 130.785 2.227 7.179 1 T 8.114e+05 0.00e+00 a 0 0 0 0 0 2778 130.679 2.084 7.182 1 T 6.029e+06 0.00e+00 a 0 0 0 0 0 2781 130.758 1.685 7.178 1 T 2.968e+06 0.00e+00 a 0 0 0 0 0 2782 130.770 1.565 7.171 1 T 5.593e+06 0.00e+00 a 0 0 0 0 0 2784 130.625 1.525 7.192 1 T 3.602e+06 0.00e+00 a 0 0 0 0 0 2785 130.730 1.389 7.183 1 T 4.386e+05 0.00e+00 a 0 0 0 0 0 2787 130.562 0.945 7.181 1 T 2.336e+07 0.00e+00 a 0 0 0 0 0 2789 130.765 0.707 7.170 1 T 1.474e+06 0.00e+00 a 0 0 0 0 0 2791 130.874 0.594 7.181 1 T 3.962e+06 0.00e+00 a 0 0 0 0 0 2792 130.743 0.461 7.178 1 T 4.212e+06 0.00e+00 a 0 0 0 0 0 2813 130.722 7.953 7.162 1 T 1.553e+06 0.00e+00 a 0 0 0 0 0 2814 130.915 7.899 7.170 1 T 1.570e+06 0.00e+00 a 0 0 0 0 0 2825 130.411 8.533 7.175 1 T -3.816e+05 0.00e+00 a 0 0 0 0 0 2826 130.273 8.418 7.171 1 T -7.408e+05 0.00e+00 a 0 0 0 0 0 2827 130.270 8.338 7.174 1 T -2.623e+05 0.00e+00 a 0 0 0 0 0 2830 130.320 7.567 7.176 1 T 2.094e+06 0.00e+00 a 0 0 0 0 0 2831 130.281 7.532 7.181 1 T 1.538e+06 0.00e+00 a 0 0 0 0 0 2833 130.282 7.388 7.180 1 T 2.531e+06 0.00e+00 a 0 0 0 0 0 2840 130.361 3.956 7.174 1 T 1.143e+06 0.00e+00 a 0 0 0 0 0 2843 130.491 2.946 7.185 1 T 2.276e+06 0.00e+00 a 0 0 0 0 0 2847 130.372 2.378 7.173 1 T 2.767e+06 0.00e+00 a 0 0 0 0 0 2848 130.369 1.600 7.174 1 T 1.965e+06 0.00e+00 a 0 0 0 0 0 2850 130.270 1.261 7.171 1 T 9.392e+05 0.00e+00 a 0 0 0 0 0 2880 128.926 3.699 6.956 1 T -3.769e+05 0.00e+00 a 0 0 0 0 0 2882 129.394 2.076 6.956 1 T 4.998e+05 0.00e+00 a 0 0 0 0 0 2883 128.963 1.843 6.956 1 T 8.451e+05 0.00e+00 a 0 0 0 0 0 2884 129.418 1.709 6.973 1 T 3.203e+06 0.00e+00 a 0 0 0 0 0 2885 129.377 1.581 6.961 1 T 1.749e+06 0.00e+00 a 0 0 0 0 0 2886 129.461 1.565 6.965 1 T 1.893e+06 0.00e+00 a 0 0 0 0 0 2888 120.865 3.334 6.858 1 T 2.555e+06 0.00e+00 a 0 0 0 0 0 2889 120.783 2.646 6.859 1 T 2.130e+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 . . C 13 C . . 58.021 ppm . . . 39.666 . . 34430 1 2 . . H 1 H . . 11.031 ppm . . . 4.717 . . 34430 1 3 . . H 1 H . . 11.024 ppm . . . 4.717 . . 34430 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 34430 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _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 #INAME 1 H #INAME 2 N #INAME 3 h #SPECTRUM N15NOESY N H HN 1 120.468 4.778 8.420 1 T 2.466e+07 0.00e+00 a 0 0 0 0 0 4 120.668 4.597 8.421 1 T 1.479e+07 0.00e+00 a 0 0 0 0 0 8 120.435 4.148 8.417 1 T 1.534e+06 0.00e+00 a 0 0 0 0 0 9 120.431 3.995 8.417 1 T 7.015e+06 0.00e+00 a 0 0 0 0 0 10 120.462 3.865 8.419 1 T 1.093e+08 0.00e+00 a 0 0 0 0 0 11 120.432 3.629 8.420 1 T 3.655e+07 0.00e+00 a 0 0 0 0 0 12 120.626 2.209 8.417 1 T 6.125e+06 0.00e+00 a 0 0 0 0 0 13 120.458 1.756 8.420 1 T 1.490e+08 0.00e+00 a 0 0 0 0 0 14 120.454 1.663 8.420 1 T 8.080e+07 0.00e+00 a 0 0 0 0 0 15 120.457 1.444 8.419 1 T 6.875e+07 0.00e+00 a 0 0 0 0 0 16 120.424 1.300 8.420 1 T 1.353e+07 0.00e+00 a 0 0 0 0 0 18 120.584 0.828 8.430 1 T 6.920e+06 0.00e+00 a 0 0 0 0 0 19 120.447 0.798 8.420 1 T 1.604e+07 0.00e+00 a 0 0 0 0 0 20 120.830 0.637 8.422 1 T 3.943e+06 0.00e+00 a 0 0 0 0 0 21 120.295 0.641 8.421 1 T 7.000e+06 0.00e+00 a 0 0 0 0 0 27 120.866 8.000 8.419 1 T 8.818e+06 0.00e+00 a 0 0 0 0 0 28 120.458 7.480 8.419 1 T 4.612e+07 0.00e+00 a 0 0 0 0 0 30 120.892 7.053 8.421 1 T 3.268e+06 0.00e+00 a 0 0 0 0 0 40 119.832 4.875 8.028 1 T 3.960e+07 0.00e+00 a 0 0 0 0 0 42 119.842 4.481 8.029 1 T 7.858e+06 0.00e+00 a 0 0 0 0 0 43 119.830 4.081 8.028 1 T 9.589e+07 0.00e+00 a 0 0 0 0 0 44 119.824 3.230 8.028 1 T 2.589e+07 0.00e+00 a 0 0 0 0 0 45 119.828 2.925 8.029 1 T 8.813e+07 0.00e+00 a 0 0 0 0 0 46 119.830 1.576 8.028 1 T 2.111e+07 0.00e+00 a 0 0 0 0 0 47 119.856 1.163 8.029 1 T 8.710e+06 0.00e+00 a 0 0 0 0 0 48 119.839 7.066 8.028 1 T 1.394e+07 0.00e+00 a 0 0 0 0 0 49 119.816 8.427 8.029 1 T 1.558e+07 0.00e+00 a 0 0 0 0 0 51 111.895 3.902 6.785 1 T 2.565e+06 0.00e+00 a 0 0 0 0 0 52 111.889 3.883 6.788 1 T 2.420e+06 0.00e+00 a 0 0 0 0 0 54 111.740 2.380 6.789 1 T 1.474e+07 0.00e+00 a 0 0 0 0 0 55 112.113 1.650 6.786 1 T 7.342e+05 0.00e+00 a 0 0 0 0 0 56 111.855 0.799 6.788 1 T 4.081e+05 0.00e+00 a 0 0 0 0 0 57 111.915 7.865 6.788 1 T 5.027e+05 0.00e+00 a 0 0 0 0 0 61 111.795 7.146 6.789 1 T 6.859e+08 0.00e+00 a 0 0 0 0 0 62 119.419 4.897 8.291 1 T 1.853e+06 0.00e+00 a 0 0 0 0 0 66 119.640 4.645 8.293 1 T 3.113e+07 0.00e+00 a 0 0 0 0 0 67 119.021 4.521 8.313 1 T 1.775e+07 0.00e+00 a 0 0 0 0 0 68 119.012 4.321 8.308 1 T 2.626e+07 0.00e+00 a 0 0 0 0 0 69 119.308 4.034 8.271 1 T 1.313e+07 0.00e+00 a 0 0 0 0 0 70 119.239 3.996 8.227 1 T 9.824e+06 0.00e+00 a 0 0 0 0 0 71 119.327 3.907 8.273 1 T 2.605e+07 0.00e+00 a 0 0 0 0 0 72 119.612 3.896 8.293 1 T 2.050e+07 0.00e+00 a 0 0 0 0 0 73 119.269 3.856 8.222 1 T 4.020e+07 0.00e+00 a 0 0 0 0 0 74 119.272 3.789 8.273 1 T 1.686e+07 0.00e+00 a 0 0 0 0 0 75 119.002 3.735 8.309 1 T 1.303e+07 0.00e+00 a 0 0 0 0 0 76 119.283 3.715 8.225 1 T 1.292e+08 0.00e+00 a 0 0 0 0 0 77 119.017 3.631 8.309 1 T 7.968e+07 0.00e+00 a 0 0 0 0 0 78 119.320 3.369 8.271 1 T 7.914e+07 0.00e+00 a 0 0 0 0 0 79 119.645 3.150 8.293 1 T 3.189e+07 0.00e+00 a 0 0 0 0 0 80 119.019 2.935 8.309 1 T 9.414e+07 0.00e+00 a 0 0 0 0 0 81 119.633 2.859 8.294 1 T 1.000e+07 0.00e+00 a 0 0 0 0 0 82 119.233 2.100 8.245 1 T 7.598e+06 0.00e+00 a 0 0 0 0 0 83 119.346 2.072 8.271 1 T 6.600e+07 0.00e+00 a 0 0 0 0 0 84 119.018 1.984 8.309 1 T 2.082e+08 0.00e+00 a 0 0 0 0 0 85 119.349 1.931 8.271 1 T 5.468e+07 0.00e+00 a 0 0 0 0 0 86 119.012 1.875 8.307 1 T 6.156e+06 0.00e+00 a 0 0 0 0 0 87 119.007 1.786 8.320 1 T 1.026e+07 0.00e+00 a 0 0 0 0 0 88 119.317 1.757 8.271 1 T 2.014e+08 0.00e+00 a 0 0 0 0 0 89 119.054 1.731 8.307 1 T 1.466e+07 0.00e+00 a 0 0 0 0 0 90 119.343 1.724 8.271 1 T 1.981e+08 0.00e+00 a 0 0 0 0 0 91 119.272 1.723 8.225 1 T 2.155e+08 0.00e+00 a 0 0 0 0 0 92 119.018 1.609 8.309 1 T 1.015e+08 0.00e+00 a 0 0 0 0 0 93 119.358 1.581 8.271 1 T 5.388e+06 0.00e+00 a 0 0 0 0 0 94 119.352 1.411 8.272 1 T 1.218e+07 0.00e+00 a 0 0 0 0 0 95 119.282 1.407 8.225 1 T 1.711e+08 0.00e+00 a 0 0 0 0 0 96 119.024 1.204 8.308 1 T 4.833e+07 0.00e+00 a 0 0 0 0 0 99 119.372 1.003 8.271 1 T 1.094e+07 0.00e+00 a 0 0 0 0 0 100 119.256 0.830 8.224 1 T 6.206e+07 0.00e+00 a 0 0 0 0 0 101 119.024 0.825 8.309 1 T 4.397e+07 0.00e+00 a 0 0 0 0 0 102 119.294 0.789 8.271 1 T 5.156e+07 0.00e+00 a 0 0 0 0 0 103 119.379 0.668 8.222 1 T 1.152e+07 0.00e+00 a 0 0 0 0 0 104 119.277 0.655 8.226 1 T 1.170e+07 0.00e+00 a 0 0 0 0 0 105 119.343 0.618 8.272 1 T 7.184e+07 0.00e+00 a 0 0 0 0 0 106 119.027 0.601 8.309 1 T 2.155e+07 0.00e+00 a 0 0 0 0 0 107 119.331 0.483 8.272 1 T 3.712e+07 0.00e+00 a 0 0 0 0 0 108 119.363 0.482 8.233 1 T 1.040e+07 0.00e+00 a 0 0 0 0 0 109 119.014 0.439 8.307 1 T 5.723e+06 0.00e+00 a 0 0 0 0 0 110 119.344 7.904 8.271 1 T 8.361e+07 0.00e+00 a 0 0 0 0 0 111 119.014 7.837 8.309 1 T 1.795e+07 0.00e+00 a 0 0 0 0 0 112 119.275 7.767 8.226 1 T 1.088e+07 0.00e+00 a 0 0 0 0 0 113 119.019 7.696 8.309 1 T 8.845e+07 0.00e+00 a 0 0 0 0 0 114 119.286 7.599 8.225 1 T 8.998e+07 0.00e+00 a 0 0 0 0 0 115 119.022 7.159 8.309 1 T 7.682e+06 0.00e+00 a 0 0 0 0 0 116 119.374 7.109 8.271 1 T 1.049e+07 0.00e+00 a 0 0 0 0 0 121 119.003 8.753 8.309 1 T 7.859e+06 0.00e+00 a 0 0 0 0 0 124 118.993 8.570 8.312 1 T 1.747e+07 0.00e+00 a 0 0 0 0 0 125 118.796 4.892 8.508 1 T 5.700e+06 0.00e+00 a 0 0 0 0 0 128 118.805 4.641 8.508 1 T 8.551e+06 0.00e+00 a 0 0 0 0 0 132 118.770 4.025 8.507 1 T 8.828e+06 0.00e+00 a 0 0 0 0 0 133 118.667 4.034 8.516 1 T 5.009e+06 0.00e+00 a 0 0 0 0 0 134 118.772 3.897 8.509 1 T 8.845e+07 0.00e+00 a 0 0 0 0 0 135 118.764 3.232 8.509 1 T 3.457e+07 0.00e+00 a 0 0 0 0 0 136 118.797 2.892 8.510 1 T 9.367e+06 0.00e+00 a 0 0 0 0 0 137 118.772 2.362 8.508 1 T 6.846e+07 0.00e+00 a 0 0 0 0 0 138 118.771 2.099 8.509 1 T 2.425e+08 0.00e+00 a 0 0 0 0 0 139 118.787 1.980 8.511 1 T 1.069e+07 0.00e+00 a 0 0 0 0 0 140 118.788 1.583 8.510 1 T 3.403e+07 0.00e+00 a 0 0 0 0 0 142 118.768 0.872 8.509 1 T 4.541e+07 0.00e+00 a 0 0 0 0 0 143 118.789 0.693 8.509 1 T 1.661e+07 0.00e+00 a 0 0 0 0 0 144 118.785 0.550 8.509 1 T 8.008e+06 0.00e+00 a 0 0 0 0 0 146 118.678 7.817 8.509 1 T 6.030e+06 0.00e+00 a 0 0 0 0 0 149 115.170 4.784 7.197 1 T 5.800e+07 0.00e+00 a 0 0 0 0 0 150 115.155 4.400 7.190 1 T 1.469e+07 0.00e+00 a 0 0 0 0 0 151 115.160 4.151 7.191 1 T 2.614e+07 0.00e+00 a 0 0 0 0 0 152 115.148 3.862 7.192 1 T 2.030e+07 0.00e+00 a 0 0 0 0 0 153 115.148 2.928 7.191 1 T 9.475e+06 0.00e+00 a 0 0 0 0 0 154 115.151 2.560 7.192 1 T 2.603e+07 0.00e+00 a 0 0 0 0 0 155 115.155 0.918 7.191 1 T 1.944e+08 0.00e+00 a 0 0 0 0 0 156 115.155 0.814 7.191 1 T 6.986e+07 0.00e+00 a 0 0 0 0 0 157 115.155 0.677 7.192 1 T 9.188e+06 0.00e+00 a 0 0 0 0 0 158 115.136 8.422 7.190 1 T 6.459e+06 0.00e+00 a 0 0 0 0 0 159 115.151 8.115 7.191 1 T 1.290e+08 0.00e+00 a 0 0 0 0 0 161 116.115 4.400 7.869 1 T 1.018e+07 0.00e+00 a 0 0 0 0 0 162 116.557 3.817 7.849 1 T 1.003e+07 0.00e+00 a 0 0 0 0 0 163 116.165 3.728 7.872 1 T 1.429e+07 0.00e+00 a 0 0 0 0 0 164 116.170 3.021 7.872 1 T 7.465e+07 0.00e+00 a 0 0 0 0 0 165 116.576 2.334 7.848 1 T 1.154e+08 0.00e+00 a 0 0 0 0 0 166 116.194 2.334 7.872 1 T 2.508e+07 0.00e+00 a 0 0 0 0 0 167 116.537 1.890 7.849 1 T 1.124e+07 0.00e+00 a 0 0 0 0 0 168 116.579 1.553 7.848 1 T 8.499e+06 0.00e+00 a 0 0 0 0 0 169 116.168 0.789 7.872 1 T 2.841e+07 0.00e+00 a 0 0 0 0 0 171 116.605 6.975 7.864 1 T 4.142e+06 0.00e+00 a 0 0 0 0 0 172 116.648 6.961 7.850 1 T 1.474e+07 0.00e+00 a 0 0 0 0 0 173 116.581 6.850 7.848 1 T 7.855e+08 0.00e+00 a 0 0 0 0 0 174 116.170 6.789 7.872 1 T 4.130e+08 0.00e+00 a 0 0 0 0 0 179 116.142 8.194 7.872 1 T 1.178e+07 0.00e+00 a 0 0 0 0 0 180 120.240 4.156 7.661 1 T 3.676e+06 0.00e+00 a 0 0 0 0 0 181 120.226 4.019 7.658 1 T 1.048e+08 0.00e+00 a 0 0 0 0 0 182 120.214 3.688 7.658 1 T 2.100e+07 0.00e+00 a 0 0 0 0 0 183 120.198 3.369 7.655 1 T 5.973e+06 0.00e+00 a 0 0 0 0 0 184 120.250 2.057 7.656 1 T 5.327e+06 0.00e+00 a 0 0 0 0 0 185 120.232 1.867 7.657 1 T 3.351e+08 0.00e+00 a 0 0 0 0 0 186 120.229 1.678 7.658 1 T 8.993e+07 0.00e+00 a 0 0 0 0 0 187 120.241 1.538 7.657 1 T 4.569e+07 0.00e+00 a 0 0 0 0 0 188 120.193 1.324 7.658 1 T 1.323e+07 0.00e+00 a 0 0 0 0 0 189 120.215 0.466 7.658 1 T 7.572e+06 0.00e+00 a 0 0 0 0 0 190 120.091 0.437 7.656 1 T 3.374e+06 0.00e+00 a 0 0 0 0 0 192 120.257 6.927 7.649 1 T 6.592e+04 0.00e+00 a 0 0 0 0 0 194 120.222 8.395 7.657 1 T 1.184e+08 0.00e+00 a 0 0 0 0 0 195 120.212 8.254 7.657 1 T 1.259e+07 0.00e+00 a 0 0 0 0 0 196 120.207 8.216 7.657 1 T 1.427e+07 0.00e+00 a 0 0 0 0 0 198 121.626 4.780 8.217 1 T 2.165e+07 0.00e+00 a 0 0 0 0 0 199 121.855 4.760 8.225 1 T 1.539e+07 0.00e+00 a 0 0 0 0 0 200 121.537 4.761 8.221 1 T 1.943e+07 0.00e+00 a 0 0 0 0 0 205 121.644 4.141 8.221 1 T 6.207e+06 0.00e+00 a 0 0 0 0 0 206 121.438 4.136 8.213 1 T 4.546e+06 0.00e+00 a 0 0 0 0 0 207 121.618 4.013 8.220 1 T 1.023e+08 0.00e+00 a 0 0 0 0 0 208 121.653 3.873 8.220 1 T 2.657e+07 0.00e+00 a 0 0 0 0 0 209 122.006 3.849 8.226 1 T 1.654e+07 0.00e+00 a 0 0 0 0 0 210 122.063 3.732 8.226 1 T 1.112e+08 0.00e+00 a 0 0 0 0 0 212 121.402 3.606 8.226 1 T -2.775e+06 0.00e+00 a 0 0 0 0 0 216 121.566 2.566 8.213 1 T 1.112e+07 0.00e+00 a 0 0 0 0 0 217 121.463 2.566 8.220 1 T 1.066e+07 0.00e+00 a 0 0 0 0 0 218 122.002 2.562 8.227 1 T 1.467e+07 0.00e+00 a 0 0 0 0 0 219 121.643 2.370 8.222 1 T 2.668e+07 0.00e+00 a 0 0 0 0 0 220 121.627 2.202 8.219 1 T 1.899e+08 0.00e+00 a 0 0 0 0 0 221 121.623 1.989 8.221 1 T 5.368e+07 0.00e+00 a 0 0 0 0 0 222 121.978 1.973 8.223 1 T 3.018e+07 0.00e+00 a 0 0 0 0 0 223 122.064 1.692 8.226 1 T 2.037e+08 0.00e+00 a 0 0 0 0 0 224 122.064 1.557 8.226 1 T 1.203e+08 0.00e+00 a 0 0 0 0 0 225 121.432 1.519 8.229 1 T 1.888e+06 0.00e+00 a 0 0 0 0 0 226 121.689 1.432 8.219 1 T 1.084e+07 0.00e+00 a 0 0 0 0 0 227 122.121 1.284 8.225 1 T 3.030e+07 0.00e+00 a 0 0 0 0 0 231 122.052 0.869 8.226 1 T 2.892e+07 0.00e+00 a 0 0 0 0 0 232 121.676 0.822 8.224 1 T 1.533e+07 0.00e+00 a 0 0 0 0 0 233 122.047 0.698 8.230 1 T 1.591e+07 0.00e+00 a 0 0 0 0 0 234 122.044 0.467 8.221 1 T -1.950e+06 0.00e+00 a 0 0 0 0 0 243 121.912 7.801 8.217 1 T 6.607e+06 0.00e+00 a 0 0 0 0 0 244 121.413 7.797 8.216 1 T 4.011e+06 0.00e+00 a 0 0 0 0 0 245 121.838 7.785 8.231 1 T 5.819e+06 0.00e+00 a 0 0 0 0 0 246 121.957 7.632 8.220 1 T 6.974e+06 0.00e+00 a 0 0 0 0 0 247 121.432 7.630 8.217 1 T 3.401e+06 0.00e+00 a 0 0 0 0 0 248 122.040 7.504 8.226 1 T 2.717e+06 0.00e+00 a 0 0 0 0 0 249 121.653 7.483 8.216 1 T 4.901e+06 0.00e+00 a 0 0 0 0 0 250 121.440 7.487 8.226 1 T 2.951e+06 0.00e+00 a 0 0 0 0 0 277 113.252 4.821 8.117 1 T 2.453e+07 0.00e+00 a 0 0 0 0 0 278 113.266 4.401 8.117 1 T 2.086e+07 0.00e+00 a 0 0 0 0 0 279 113.255 4.151 8.118 1 T 5.919e+07 0.00e+00 a 0 0 0 0 0 280 113.263 3.854 8.117 1 T 1.132e+08 0.00e+00 a 0 0 0 0 0 281 113.234 3.589 8.117 1 T 1.022e+07 0.00e+00 a 0 0 0 0 0 282 113.207 2.205 8.118 1 T 7.329e+06 0.00e+00 a 0 0 0 0 0 283 113.271 2.001 8.118 1 T 1.583e+07 0.00e+00 a 0 0 0 0 0 284 113.266 1.881 8.118 1 T 2.057e+07 0.00e+00 a 0 0 0 0 0 285 113.273 1.263 8.117 1 T 1.574e+07 0.00e+00 a 0 0 0 0 0 286 113.247 0.909 8.118 1 T 1.520e+07 0.00e+00 a 0 0 0 0 0 287 113.252 0.793 8.118 1 T 6.796e+06 0.00e+00 a 0 0 0 0 0 288 113.298 7.459 8.117 1 T 1.164e+07 0.00e+00 a 0 0 0 0 0 290 113.265 7.197 8.117 1 T 1.365e+08 0.00e+00 a 0 0 0 0 0 291 113.302 8.539 8.117 1 T 8.605e+06 0.00e+00 a 0 0 0 0 0 292 119.246 4.796 8.197 1 T 3.626e+05 0.00e+00 a 0 0 0 0 0 293 119.621 4.755 8.181 1 T 1.378e+07 0.00e+00 a 0 0 0 0 0 299 119.011 4.543 8.198 1 T 2.858e+06 0.00e+00 a 0 0 0 0 0 300 119.005 4.528 8.196 1 T 2.085e+06 0.00e+00 a 0 0 0 0 0 301 118.983 4.491 8.188 1 T 8.844e+05 0.00e+00 a 0 0 0 0 0 302 118.791 4.387 8.184 1 T 7.461e+07 0.00e+00 a 0 0 0 0 0 303 119.241 4.327 8.204 1 T 1.313e+07 0.00e+00 a 0 0 0 0 0 304 119.238 4.288 8.196 1 T 6.801e+06 0.00e+00 a 0 0 0 0 0 306 119.665 4.019 8.181 1 T 9.174e+07 0.00e+00 a 0 0 0 0 0 308 119.679 3.902 8.180 1 T 2.457e+07 0.00e+00 a 0 0 0 0 0 309 119.230 3.808 8.202 1 T 9.875e+07 0.00e+00 a 0 0 0 0 0 310 118.930 3.712 8.189 1 T 1.696e+07 0.00e+00 a 0 0 0 0 0 311 119.240 3.648 8.196 1 T 1.783e+07 0.00e+00 a 0 0 0 0 0 312 119.683 3.150 8.179 1 T 1.303e+07 0.00e+00 a 0 0 0 0 0 313 118.787 3.018 8.184 1 T 1.288e+08 0.00e+00 a 0 0 0 0 0 314 119.453 2.908 8.190 1 T -2.116e+05 0.00e+00 a 0 0 0 0 0 315 118.807 2.905 8.187 1 T 3.055e+06 0.00e+00 a 0 0 0 0 0 316 119.625 2.860 8.180 1 T 9.035e+06 0.00e+00 a 0 0 0 0 0 318 118.779 2.682 8.184 1 T 1.713e+08 0.00e+00 a 0 0 0 0 0 319 118.777 2.335 8.185 1 T 3.601e+07 0.00e+00 a 0 0 0 0 0 320 119.232 2.325 8.203 1 T 2.726e+07 0.00e+00 a 0 0 0 0 0 321 119.655 2.228 8.179 1 T 5.207e+07 0.00e+00 a 0 0 0 0 0 322 119.235 2.141 8.201 1 T 2.396e+08 0.00e+00 a 0 0 0 0 0 323 119.653 2.029 8.180 1 T 1.384e+08 0.00e+00 a 0 0 0 0 0 324 119.256 1.987 8.202 1 T 7.976e+07 0.00e+00 a 0 0 0 0 0 325 118.793 1.879 8.184 1 T 3.368e+06 0.00e+00 a 0 0 0 0 0 327 119.442 1.612 8.180 1 T 3.422e+06 0.00e+00 a 0 0 0 0 0 328 119.225 1.590 8.202 1 T 8.609e+06 0.00e+00 a 0 0 0 0 0 329 119.230 1.573 8.212 1 T 9.259e+06 0.00e+00 a 0 0 0 0 0 330 118.831 1.543 8.181 1 T 1.238e+07 0.00e+00 a 0 0 0 0 0 331 119.420 1.404 8.194 1 T 6.371e+06 0.00e+00 a 0 0 0 0 0 332 119.282 1.397 8.182 1 T 3.504e+06 0.00e+00 a 0 0 0 0 0 333 119.421 1.195 8.190 1 T 1.396e+07 0.00e+00 a 0 0 0 0 0 334 118.767 1.202 8.185 1 T 1.586e+07 0.00e+00 a 0 0 0 0 0 336 119.238 1.184 8.201 1 T 2.097e+07 0.00e+00 a 0 0 0 0 0 337 118.815 0.904 8.182 1 T 7.396e+06 0.00e+00 a 0 0 0 0 0 338 119.246 0.852 8.206 1 T 4.852e+07 0.00e+00 a 0 0 0 0 0 339 119.021 0.689 8.206 1 T 2.565e+06 0.00e+00 a 0 0 0 0 0 347 119.569 7.914 8.186 1 T 1.242e+07 0.00e+00 a 0 0 0 0 0 348 119.280 7.809 8.206 1 T 7.279e+06 0.00e+00 a 0 0 0 0 0 349 119.260 7.761 8.211 1 T 9.144e+06 0.00e+00 a 0 0 0 0 0 351 119.399 7.675 8.202 1 T 5.153e+06 0.00e+00 a 0 0 0 0 0 352 118.798 7.655 8.182 1 T 5.502e+06 0.00e+00 a 0 0 0 0 0 353 119.026 7.602 8.192 1 T 2.069e+06 0.00e+00 a 0 0 0 0 0 355 119.013 7.534 8.189 1 T 9.398e+05 0.00e+00 a 0 0 0 0 0 356 118.806 7.477 8.178 1 T 6.811e+06 0.00e+00 a 0 0 0 0 0 357 118.812 7.467 8.192 1 T 4.834e+06 0.00e+00 a 0 0 0 0 0 358 119.232 6.826 8.195 1 T -1.642e+06 0.00e+00 a 0 0 0 0 0 378 119.036 8.800 8.196 1 T 2.902e+06 0.00e+00 a 0 0 0 0 0 379 118.782 8.747 8.185 1 T 4.870e+06 0.00e+00 a 0 0 0 0 0 382 119.229 8.664 8.196 1 T 3.652e+06 0.00e+00 a 0 0 0 0 0 384 119.442 8.587 8.190 1 T 8.949e+06 0.00e+00 a 0 0 0 0 0 387 119.385 8.568 8.193 1 T 6.499e+06 0.00e+00 a 0 0 0 0 0 388 119.276 8.536 8.229 1 T 8.937e+06 0.00e+00 a 0 0 0 0 0 389 119.330 8.530 8.270 1 T 1.519e+07 0.00e+00 a 0 0 0 0 0 391 119.022 4.039 8.328 1 T 4.270e+07 0.00e+00 a 0 0 0 0 0 392 119.024 3.919 8.328 1 T 1.152e+08 0.00e+00 a 0 0 0 0 0 393 119.023 3.132 8.329 1 T 1.031e+08 0.00e+00 a 0 0 0 0 0 394 119.021 2.369 8.329 1 T 4.092e+07 0.00e+00 a 0 0 0 0 0 395 119.023 2.075 8.329 1 T 1.875e+08 0.00e+00 a 0 0 0 0 0 396 119.007 1.059 8.327 1 T 3.226e+07 0.00e+00 a 0 0 0 0 0 401 119.020 7.992 8.328 1 T 8.917e+07 0.00e+00 a 0 0 0 0 0 402 119.031 7.081 8.329 1 T 1.708e+07 0.00e+00 a 0 0 0 0 0 406 119.010 8.760 8.325 1 T 1.001e+07 0.00e+00 a 0 0 0 0 0 407 117.814 4.529 8.136 1 T 6.797e+06 0.00e+00 a 0 0 0 0 0 408 117.777 4.022 8.137 1 T 3.008e+07 0.00e+00 a 0 0 0 0 0 409 117.783 3.878 8.136 1 T 4.354e+07 0.00e+00 a 0 0 0 0 0 410 117.777 3.795 8.137 1 T 8.840e+07 0.00e+00 a 0 0 0 0 0 411 117.780 3.199 8.137 1 T 1.372e+08 0.00e+00 a 0 0 0 0 0 412 117.741 3.093 8.135 1 T 8.143e+06 0.00e+00 a 0 0 0 0 0 413 117.780 2.922 8.137 1 T 1.504e+08 0.00e+00 a 0 0 0 0 0 414 117.791 2.814 8.137 1 T 1.024e+07 0.00e+00 a 0 0 0 0 0 415 117.827 2.093 8.136 1 T 8.981e+06 0.00e+00 a 0 0 0 0 0 416 117.783 1.376 8.137 1 T 1.115e+08 0.00e+00 a 0 0 0 0 0 417 117.791 1.246 8.136 1 T 1.411e+07 0.00e+00 a 0 0 0 0 0 418 117.781 0.663 8.137 1 T 4.413e+07 0.00e+00 a 0 0 0 0 0 419 117.786 7.840 8.136 1 T 1.130e+08 0.00e+00 a 0 0 0 0 0 420 117.767 6.948 8.138 1 T 1.570e+07 0.00e+00 a 0 0 0 0 0 423 117.792 8.524 8.136 1 T 1.218e+07 0.00e+00 a 0 0 0 0 0 424 117.803 8.451 8.136 1 T 1.242e+07 0.00e+00 a 0 0 0 0 0 425 116.582 3.832 6.849 1 T 5.254e+06 0.00e+00 a 0 0 0 0 0 426 116.574 2.336 6.849 1 T 3.586e+07 0.00e+00 a 0 0 0 0 0 427 116.550 1.877 6.850 1 T 8.860e+06 0.00e+00 a 0 0 0 0 0 428 116.560 1.556 6.850 1 T 1.123e+07 0.00e+00 a 0 0 0 0 0 430 116.573 7.948 6.848 1 T 2.210e+07 0.00e+00 a 0 0 0 0 0 431 116.580 7.848 6.849 1 T 7.658e+08 0.00e+00 a 0 0 0 0 0 434 127.472 4.348 7.995 1 T 3.135e+08 0.00e+00 a 0 0 0 0 0 435 127.456 4.118 7.995 1 T 4.189e+07 0.00e+00 a 0 0 0 0 0 436 127.470 2.224 7.995 1 T 2.944e+07 0.00e+00 a 0 0 0 0 0 438 127.461 2.046 7.997 1 T 7.015e+06 0.00e+00 a 0 0 0 0 0 439 127.487 1.879 7.995 1 T 2.375e+07 0.00e+00 a 0 0 0 0 0 440 127.481 1.620 7.995 1 T 8.413e+07 0.00e+00 a 0 0 0 0 0 441 127.483 1.362 7.995 1 T 6.906e+07 0.00e+00 a 0 0 0 0 0 447 115.285 4.526 7.945 1 T 3.000e+07 0.00e+00 a 0 0 0 0 0 448 115.191 4.361 7.946 1 T 4.573e+06 0.00e+00 a 0 0 0 0 0 449 115.243 4.218 7.944 1 T 8.235e+07 0.00e+00 a 0 0 0 0 0 450 115.236 4.101 7.944 1 T 1.243e+08 0.00e+00 a 0 0 0 0 0 451 115.232 3.849 7.944 1 T 5.854e+07 0.00e+00 a 0 0 0 0 0 452 115.291 3.656 7.945 1 T 7.185e+06 0.00e+00 a 0 0 0 0 0 453 115.231 2.326 7.943 1 T 1.626e+07 0.00e+00 a 0 0 0 0 0 454 115.264 2.133 7.945 1 T 9.541e+07 0.00e+00 a 0 0 0 0 0 455 115.172 1.777 7.943 1 T 4.864e+06 0.00e+00 a 0 0 0 0 0 457 115.327 0.863 7.945 1 T 7.160e+06 0.00e+00 a 0 0 0 0 0 458 115.203 8.537 7.943 1 T 6.910e+06 0.00e+00 a 0 0 0 0 0 462 122.355 4.537 7.883 1 T 7.711e+06 0.00e+00 a 0 0 0 0 0 463 122.727 4.528 7.837 1 T 2.808e+07 0.00e+00 a 0 0 0 0 0 464 122.436 4.217 7.883 1 T 2.548e+07 0.00e+00 a 0 0 0 0 0 465 122.437 4.102 7.883 1 T 7.337e+07 0.00e+00 a 0 0 0 0 0 466 122.728 4.035 7.836 1 T 1.007e+08 0.00e+00 a 0 0 0 0 0 467 122.434 3.835 7.883 1 T 1.091e+08 0.00e+00 a 0 0 0 0 0 468 122.738 3.774 7.837 1 T 3.017e+07 0.00e+00 a 0 0 0 0 0 469 122.434 3.633 7.884 1 T 2.953e+07 0.00e+00 a 0 0 0 0 0 470 122.739 2.825 7.837 1 T 9.621e+07 0.00e+00 a 0 0 0 0 0 471 122.454 2.141 7.882 1 T 4.758e+06 0.00e+00 a 0 0 0 0 0 472 122.728 2.089 7.836 1 T 1.008e+07 0.00e+00 a 0 0 0 0 0 473 122.465 1.962 7.883 1 T 5.954e+06 0.00e+00 a 0 0 0 0 0 474 122.439 1.763 7.883 1 T 1.506e+08 0.00e+00 a 0 0 0 0 0 475 122.435 1.560 7.883 1 T 9.108e+07 0.00e+00 a 0 0 0 0 0 476 122.724 1.554 7.836 1 T 7.669e+06 0.00e+00 a 0 0 0 0 0 477 122.733 1.373 7.837 1 T 2.332e+08 0.00e+00 a 0 0 0 0 0 478 122.688 1.254 7.838 1 T 5.672e+06 0.00e+00 a 0 0 0 0 0 479 122.446 0.851 7.883 1 T 2.128e+07 0.00e+00 a 0 0 0 0 0 480 122.726 0.815 7.836 1 T 1.243e+07 0.00e+00 a 0 0 0 0 0 481 122.440 0.697 7.883 1 T 4.376e+07 0.00e+00 a 0 0 0 0 0 482 122.782 8.512 7.837 1 T 1.251e+07 0.00e+00 a 0 0 0 0 0 483 122.736 8.495 7.835 1 T 1.377e+07 0.00e+00 a 0 0 0 0 0 485 122.726 8.445 7.837 1 T 1.183e+07 0.00e+00 a 0 0 0 0 0 486 122.723 8.238 7.836 1 T 8.721e+07 0.00e+00 a 0 0 0 0 0 487 122.444 8.197 7.884 1 T 1.909e+07 0.00e+00 a 0 0 0 0 0 488 122.774 8.139 7.837 1 T 6.997e+07 0.00e+00 a 0 0 0 0 0 489 120.050 4.026 7.772 1 T 1.061e+07 0.00e+00 a 0 0 0 0 0 490 120.030 3.931 7.773 1 T 1.316e+08 0.00e+00 a 0 0 0 0 0 491 120.034 3.731 7.773 1 T 4.492e+07 0.00e+00 a 0 0 0 0 0 492 120.030 2.369 7.773 1 T 7.960e+07 0.00e+00 a 0 0 0 0 0 493 120.028 2.093 7.773 1 T 2.398e+08 0.00e+00 a 0 0 0 0 0 494 120.037 1.870 7.773 1 T 7.861e+06 0.00e+00 a 0 0 0 0 0 495 120.007 1.603 7.772 1 T 9.057e+06 0.00e+00 a 0 0 0 0 0 496 120.032 1.414 7.773 1 T 1.344e+08 0.00e+00 a 0 0 0 0 0 497 120.043 0.463 7.773 1 T 1.295e+07 0.00e+00 a 0 0 0 0 0 498 120.026 8.365 7.772 1 T 1.434e+07 0.00e+00 a 0 0 0 0 0 499 120.030 8.231 7.773 1 T 1.473e+08 0.00e+00 a 0 0 0 0 0 501 110.934 4.646 7.473 1 T 6.352e+06 0.00e+00 a 0 0 0 0 0 502 110.864 3.152 7.473 1 T 2.819e+07 0.00e+00 a 0 0 0 0 0 503 110.863 2.854 7.473 1 T 4.281e+07 0.00e+00 a 0 0 0 0 0 504 110.882 7.069 7.472 1 T 6.295e+06 0.00e+00 a 0 0 0 0 0 506 110.854 6.876 7.473 1 T 5.568e+08 0.00e+00 a 0 0 0 0 0 507 110.784 6.777 7.473 1 T 1.120e+07 0.00e+00 a 0 0 0 0 0 509 112.856 2.497 7.425 1 T 2.213e+07 0.00e+00 a 0 0 0 0 0 511 112.870 6.785 7.425 1 T 3.647e+08 0.00e+00 a 0 0 0 0 0 512 108.601 4.308 7.813 1 T 2.140e+07 0.00e+00 a 0 0 0 0 0 513 108.591 3.889 7.812 1 T 1.338e+07 0.00e+00 a 0 0 0 0 0 514 108.584 3.682 7.813 1 T 1.835e+08 0.00e+00 a 0 0 0 0 0 515 108.636 2.939 7.812 1 T 6.235e+06 0.00e+00 a 0 0 0 0 0 516 108.587 2.739 7.813 1 T 4.841e+07 0.00e+00 a 0 0 0 0 0 517 108.600 2.152 7.814 1 T 5.799e+06 0.00e+00 a 0 0 0 0 0 518 108.588 8.684 7.812 1 T 8.754e+06 0.00e+00 a 0 0 0 0 0 519 108.585 8.565 7.813 1 T 6.940e+07 0.00e+00 a 0 0 0 0 0 520 108.595 8.317 7.812 1 T 1.190e+07 0.00e+00 a 0 0 0 0 0 521 108.611 8.185 7.812 1 T 1.004e+07 0.00e+00 a 0 0 0 0 0 522 116.977 4.089 8.459 1 T 2.464e+07 0.00e+00 a 0 0 0 0 0 523 116.983 3.933 8.458 1 T 6.848e+07 0.00e+00 a 0 0 0 0 0 524 116.981 3.694 8.459 1 T 4.228e+07 0.00e+00 a 0 0 0 0 0 525 116.987 3.397 8.458 1 T 1.265e+07 0.00e+00 a 0 0 0 0 0 526 116.981 3.021 8.459 1 T 1.480e+08 0.00e+00 a 0 0 0 0 0 527 116.982 2.328 8.459 1 T 1.487e+08 0.00e+00 a 0 0 0 0 0 528 116.974 1.877 8.459 1 T 7.956e+06 0.00e+00 a 0 0 0 0 0 529 116.982 1.685 8.459 1 T 9.004e+07 0.00e+00 a 0 0 0 0 0 530 116.981 0.921 8.459 1 T 1.259e+08 0.00e+00 a 0 0 0 0 0 531 116.967 0.804 8.458 1 T 2.110e+07 0.00e+00 a 0 0 0 0 0 532 116.983 0.623 8.459 1 T 2.074e+07 0.00e+00 a 0 0 0 0 0 533 116.979 0.439 8.459 1 T 9.784e+06 0.00e+00 a 0 0 0 0 0 537 116.978 7.935 8.459 1 T 1.084e+08 0.00e+00 a 0 0 0 0 0 538 116.992 7.648 8.458 1 T 5.834e+06 0.00e+00 a 0 0 0 0 0 539 121.024 4.877 8.421 1 T 1.214e+08 0.00e+00 a 0 0 0 0 0 542 121.039 4.645 8.421 1 T 4.095e+07 0.00e+00 a 0 0 0 0 0 544 121.041 4.455 8.424 1 T 2.628e+06 0.00e+00 a 0 0 0 0 0 546 121.261 4.015 8.445 1 T 2.888e+07 0.00e+00 a 0 0 0 0 0 547 121.282 3.889 8.446 1 T 9.170e+06 0.00e+00 a 0 0 0 0 0 548 121.267 3.775 8.445 1 T 7.631e+07 0.00e+00 a 0 0 0 0 0 549 121.026 3.170 8.421 1 T 2.318e+07 0.00e+00 a 0 0 0 0 0 550 121.029 2.859 8.421 1 T 3.765e+07 0.00e+00 a 0 0 0 0 0 551 121.266 2.338 8.445 1 T 8.575e+07 0.00e+00 a 0 0 0 0 0 552 121.258 2.072 8.445 1 T 1.719e+08 0.00e+00 a 0 0 0 0 0 553 121.050 2.077 8.423 1 T 6.871e+07 0.00e+00 a 0 0 0 0 0 554 121.271 1.974 8.446 1 T 4.442e+07 0.00e+00 a 0 0 0 0 0 555 121.109 1.759 8.443 1 T 3.392e+06 0.00e+00 a 0 0 0 0 0 556 121.269 1.590 8.446 1 T 6.312e+07 0.00e+00 a 0 0 0 0 0 559 121.274 0.779 8.443 1 T 1.092e+07 0.00e+00 a 0 0 0 0 0 562 121.218 8.055 8.443 1 T 9.008e+06 0.00e+00 a 0 0 0 0 0 563 120.981 8.047 8.422 1 T 9.349e+06 0.00e+00 a 0 0 0 0 0 564 121.028 8.024 8.430 1 T 8.895e+06 0.00e+00 a 0 0 0 0 0 565 121.264 7.859 8.448 1 T 5.052e+06 0.00e+00 a 0 0 0 0 0 567 116.552 4.339 7.909 1 T 1.732e+06 0.00e+00 a 0 0 0 0 0 569 116.617 3.921 7.915 1 T 8.399e+07 0.00e+00 a 0 0 0 0 0 570 116.618 3.816 7.915 1 T 5.454e+07 0.00e+00 a 0 0 0 0 0 571 116.608 3.644 7.915 1 T 8.760e+06 0.00e+00 a 0 0 0 0 0 572 116.623 1.899 7.915 1 T 1.421e+08 0.00e+00 a 0 0 0 0 0 573 116.614 1.721 7.916 1 T 1.308e+08 0.00e+00 a 0 0 0 0 0 574 116.608 1.579 7.916 1 T 6.130e+07 0.00e+00 a 0 0 0 0 0 575 116.604 1.324 7.915 1 T 2.974e+07 0.00e+00 a 0 0 0 0 0 576 116.654 0.847 7.918 1 T 9.983e+06 0.00e+00 a 0 0 0 0 0 577 116.664 0.676 7.916 1 T 1.309e+07 0.00e+00 a 0 0 0 0 0 580 116.620 8.293 7.916 1 T 1.048e+07 0.00e+00 a 0 0 0 0 0 581 116.624 8.237 7.915 1 T 1.232e+07 0.00e+00 a 0 0 0 0 0 582 114.976 4.449 7.468 1 T 5.454e+06 0.00e+00 a 0 0 0 0 0 583 115.087 4.314 7.472 1 T 5.274e+07 0.00e+00 a 0 0 0 0 0 584 114.765 4.217 7.464 1 T 1.438e+07 0.00e+00 a 0 0 0 0 0 585 115.004 4.150 7.473 1 T 2.388e+07 0.00e+00 a 0 0 0 0 0 586 114.989 3.919 7.481 1 T 1.305e+07 0.00e+00 a 0 0 0 0 0 587 115.167 3.916 7.470 1 T 1.309e+07 0.00e+00 a 0 0 0 0 0 588 114.685 3.825 7.462 1 T 3.764e+07 0.00e+00 a 0 0 0 0 0 589 114.682 3.581 7.460 1 T 3.259e+07 0.00e+00 a 0 0 0 0 0 590 114.677 2.935 7.462 1 T 5.114e+07 0.00e+00 a 0 0 0 0 0 591 115.072 2.827 7.472 1 T 8.485e+06 0.00e+00 a 0 0 0 0 0 592 115.091 2.562 7.473 1 T 5.708e+07 0.00e+00 a 0 0 0 0 0 593 114.666 2.452 7.462 1 T 3.541e+07 0.00e+00 a 0 0 0 0 0 594 115.071 2.398 7.473 1 T 3.418e+07 0.00e+00 a 0 0 0 0 0 595 115.094 2.243 7.473 1 T 2.069e+07 0.00e+00 a 0 0 0 0 0 596 114.758 1.953 7.473 1 T -1.324e+06 0.00e+00 a 0 0 0 0 0 597 115.358 1.939 7.473 1 T 5.227e+05 0.00e+00 a 0 0 0 0 0 598 114.693 1.861 7.462 1 T 3.304e+06 0.00e+00 a 0 0 0 0 0 599 115.061 1.754 7.473 1 T 9.750e+07 0.00e+00 a 0 0 0 0 0 600 115.077 1.523 7.472 1 T 7.116e+07 0.00e+00 a 0 0 0 0 0 601 115.152 1.388 7.473 1 T 1.136e+07 0.00e+00 a 0 0 0 0 0 602 115.007 0.927 7.467 1 T 1.166e+07 0.00e+00 a 0 0 0 0 0 603 114.683 0.875 7.462 1 T 5.001e+06 0.00e+00 a 0 0 0 0 0 604 114.944 0.769 7.473 1 T 1.435e+06 0.00e+00 a 0 0 0 0 0 605 114.740 0.764 7.461 1 T 4.208e+06 0.00e+00 a 0 0 0 0 0 607 115.073 7.042 7.473 1 T 9.130e+07 0.00e+00 a 0 0 0 0 0 608 114.720 6.868 7.462 1 T 4.146e+05 0.00e+00 a 0 0 0 0 0 612 114.997 8.800 7.469 1 T -6.615e+05 0.00e+00 a 0 0 0 0 0 613 115.137 8.165 7.479 1 T 6.840e+06 0.00e+00 a 0 0 0 0 0 614 114.674 8.062 7.461 1 T 8.915e+07 0.00e+00 a 0 0 0 0 0 615 115.077 7.971 7.472 1 T 8.875e+07 0.00e+00 a 0 0 0 0 0 616 115.116 7.851 7.477 1 T 4.228e+06 0.00e+00 a 0 0 0 0 0 617 119.826 3.888 8.669 1 T 3.228e+07 0.00e+00 a 0 0 0 0 0 618 119.819 3.704 8.669 1 T 9.315e+07 0.00e+00 a 0 0 0 0 0 619 119.823 2.443 8.669 1 T 9.674e+07 0.00e+00 a 0 0 0 0 0 620 119.839 2.344 8.669 1 T 9.967e+06 0.00e+00 a 0 0 0 0 0 621 119.820 1.823 8.669 1 T 1.437e+08 0.00e+00 a 0 0 0 0 0 622 119.821 1.680 8.669 1 T 1.563e+08 0.00e+00 a 0 0 0 0 0 623 119.822 1.556 8.669 1 T 6.204e+07 0.00e+00 a 0 0 0 0 0 624 119.829 1.404 8.669 1 T 1.603e+07 0.00e+00 a 0 0 0 0 0 625 119.831 0.965 8.669 1 T 6.460e+06 0.00e+00 a 0 0 0 0 0 626 119.822 0.712 8.669 1 T 7.770e+07 0.00e+00 a 0 0 0 0 0 627 119.817 0.554 8.669 1 T 2.240e+07 0.00e+00 a 0 0 0 0 0 632 119.792 8.270 8.669 1 T 8.259e+06 0.00e+00 a 0 0 0 0 0 633 119.811 7.786 8.668 1 T 9.204e+06 0.00e+00 a 0 0 0 0 0 634 119.820 7.664 8.669 1 T 1.098e+08 0.00e+00 a 0 0 0 0 0 639 114.642 4.828 7.462 1 T 5.474e+07 0.00e+00 a 0 0 0 0 0 640 114.642 2.649 7.462 1 T 6.146e+07 0.00e+00 a 0 0 0 0 0 641 114.563 0.914 7.465 1 T 6.553e+06 0.00e+00 a 0 0 0 0 0 646 112.776 2.503 6.783 1 T 7.513e+06 0.00e+00 a 0 0 0 0 0 648 112.862 7.424 6.783 1 T 4.075e+08 0.00e+00 a 0 0 0 0 0 654 116.975 4.942 6.460 1 T 4.093e+07 0.00e+00 a 0 0 0 0 0 655 116.980 4.516 6.460 1 T 6.265e+07 0.00e+00 a 0 0 0 0 0 656 116.969 4.354 6.458 1 T 6.584e+06 0.00e+00 a 0 0 0 0 0 657 116.985 3.915 6.459 1 T 5.262e+06 0.00e+00 a 0 0 0 0 0 658 116.979 2.827 6.459 1 T 1.631e+07 0.00e+00 a 0 0 0 0 0 659 116.984 1.766 6.459 1 T 9.627e+06 0.00e+00 a 0 0 0 0 0 660 116.980 1.654 6.460 1 T 2.541e+08 0.00e+00 a 0 0 0 0 0 661 116.979 1.277 6.460 1 T 9.497e+06 0.00e+00 a 0 0 0 0 0 662 116.979 0.938 6.460 1 T 3.380e+07 0.00e+00 a 0 0 0 0 0 663 116.980 8.818 6.460 1 T 8.192e+07 0.00e+00 a 0 0 0 0 0 664 116.973 8.715 6.459 1 T 7.585e+06 0.00e+00 a 0 0 0 0 0 672 111.875 4.640 7.143 1 T 6.087e+06 0.00e+00 a 0 0 0 0 0 673 112.309 4.380 7.111 1 T 5.079e+07 0.00e+00 a 0 0 0 0 0 674 112.110 4.147 7.055 1 T 5.767e+06 0.00e+00 a 0 0 0 0 0 675 112.303 3.914 7.110 1 T 3.077e+07 0.00e+00 a 0 0 0 0 0 676 112.090 3.917 7.056 1 T 1.067e+07 0.00e+00 a 0 0 0 0 0 677 112.305 3.620 7.110 1 T 2.280e+07 0.00e+00 a 0 0 0 0 0 678 112.302 3.334 7.110 1 T 4.993e+07 0.00e+00 a 0 0 0 0 0 679 112.302 2.662 7.109 1 T 1.173e+08 0.00e+00 a 0 0 0 0 0 680 112.077 2.239 7.054 1 T 2.040e+07 0.00e+00 a 0 0 0 0 0 681 112.310 2.132 7.110 1 T 1.457e+07 0.00e+00 a 0 0 0 0 0 682 112.092 1.904 7.055 1 T 6.817e+06 0.00e+00 a 0 0 0 0 0 683 112.320 1.708 7.110 1 T 8.899e+06 0.00e+00 a 0 0 0 0 0 684 112.304 1.414 7.110 1 T 3.660e+07 0.00e+00 a 0 0 0 0 0 685 112.301 1.298 7.110 1 T 6.737e+06 0.00e+00 a 0 0 0 0 0 686 112.299 1.043 7.109 1 T 2.747e+07 0.00e+00 a 0 0 0 0 0 687 112.322 0.785 7.110 1 T 7.367e+06 0.00e+00 a 0 0 0 0 0 688 112.299 0.606 7.111 1 T 1.163e+07 0.00e+00 a 0 0 0 0 0 689 111.966 6.798 7.054 1 T 7.433e+06 0.00e+00 a 0 0 0 0 0 691 112.307 8.288 7.108 1 T 8.900e+06 0.00e+00 a 0 0 0 0 0 692 112.304 7.895 7.109 1 T 8.245e+07 0.00e+00 a 0 0 0 0 0 693 112.076 7.462 7.053 1 T 9.701e+06 0.00e+00 a 0 0 0 0 0 697 111.643 2.387 8.167 1 T 1.435e+07 0.00e+00 a 0 0 0 0 0 698 111.620 2.287 8.167 1 T 2.280e+07 0.00e+00 a 0 0 0 0 0 699 111.561 1.535 8.169 1 T 6.559e+06 0.00e+00 a 0 0 0 0 0 700 111.610 1.203 8.167 1 T 1.209e+07 0.00e+00 a 0 0 0 0 0 701 111.608 0.939 8.166 1 T 3.574e+07 0.00e+00 a 0 0 0 0 0 702 111.637 7.637 8.166 1 T 8.858e+06 0.00e+00 a 0 0 0 0 0 703 111.614 7.532 8.167 1 T 3.708e+08 0.00e+00 a 0 0 0 0 0 705 111.569 7.208 8.166 1 T 7.936e+06 0.00e+00 a 0 0 0 0 0 706 111.590 9.011 8.167 1 T 3.301e+07 0.00e+00 a 0 0 0 0 0 707 112.068 4.143 7.272 1 T 1.015e+07 0.00e+00 a 0 0 0 0 0 708 112.083 3.920 7.272 1 T 1.257e+07 0.00e+00 a 0 0 0 0 0 709 112.092 2.330 7.272 1 T 3.783e+07 0.00e+00 a 0 0 0 0 0 710 112.086 2.245 7.272 1 T 4.190e+07 0.00e+00 a 0 0 0 0 0 711 112.086 2.096 7.271 1 T 7.940e+06 0.00e+00 a 0 0 0 0 0 712 112.087 1.890 7.273 1 T 5.008e+06 0.00e+00 a 0 0 0 0 0 713 112.092 6.948 7.273 1 T 2.014e+07 0.00e+00 a 0 0 0 0 0 714 112.089 6.875 7.271 1 T 1.252e+07 0.00e+00 a 0 0 0 0 0 717 112.060 3.911 6.939 1 T 6.350e+06 0.00e+00 a 0 0 0 0 0 718 112.298 2.825 6.953 1 T 2.602e+07 0.00e+00 a 0 0 0 0 0 719 112.060 2.751 6.940 1 T 2.013e+07 0.00e+00 a 0 0 0 0 0 720 112.081 2.237 6.940 1 T 1.532e+07 0.00e+00 a 0 0 0 0 0 721 112.064 1.954 6.941 1 T 6.954e+06 0.00e+00 a 0 0 0 0 0 722 112.315 1.428 6.952 1 T 5.472e+06 0.00e+00 a 0 0 0 0 0 724 112.296 7.641 6.954 1 T 8.219e+08 0.00e+00 a 0 0 0 0 0 725 112.075 7.517 6.939 1 T 8.479e+08 0.00e+00 a 0 0 0 0 0 728 112.249 7.274 6.937 1 T 6.467e+06 0.00e+00 a 0 0 0 0 0 730 112.053 7.248 6.944 1 T 7.298e+06 0.00e+00 a 0 0 0 0 0 731 114.809 4.276 7.376 1 T 3.697e+07 0.00e+00 a 0 0 0 0 0 732 114.850 3.719 7.376 1 T 1.211e+07 0.00e+00 a 0 0 0 0 0 733 114.859 3.561 7.375 1 T 9.120e+06 0.00e+00 a 0 0 0 0 0 734 114.818 2.827 7.376 1 T 3.223e+07 0.00e+00 a 0 0 0 0 0 735 114.796 1.948 7.376 1 T 1.550e+07 0.00e+00 a 0 0 0 0 0 736 114.831 1.365 7.376 1 T 4.114e+07 0.00e+00 a 0 0 0 0 0 737 114.614 7.043 7.380 1 T 1.052e+07 0.00e+00 a 0 0 0 0 0 738 114.815 7.036 7.371 1 T 2.296e+07 0.00e+00 a 0 0 0 0 0 739 114.824 6.921 7.376 1 T 3.839e+08 0.00e+00 a 0 0 0 0 0 740 119.825 1.407 8.182 1 T 4.137e+06 0.00e+00 a 0 0 0 0 0 747 112.309 4.748 7.642 1 T 7.643e+06 0.00e+00 a 0 0 0 0 0 748 112.312 4.648 7.641 1 T 6.193e+06 0.00e+00 a 0 0 0 0 0 749 112.305 4.008 7.641 1 T 1.007e+07 0.00e+00 a 0 0 0 0 0 750 112.290 2.825 7.641 1 T 5.647e+07 0.00e+00 a 0 0 0 0 0 751 112.306 7.068 7.640 1 T 8.418e+06 0.00e+00 a 0 0 0 0 0 752 112.294 6.953 7.640 1 T 8.422e+08 0.00e+00 a 0 0 0 0 0 755 112.700 4.642 8.745 1 T 2.560e+07 0.00e+00 a 0 0 0 0 0 756 112.708 4.519 8.745 1 T 1.932e+08 0.00e+00 a 0 0 0 0 0 757 112.706 2.440 8.745 1 T 1.175e+08 0.00e+00 a 0 0 0 0 0 758 112.706 1.589 8.745 1 T 8.129e+07 0.00e+00 a 0 0 0 0 0 759 112.706 1.194 8.745 1 T 1.639e+08 0.00e+00 a 0 0 0 0 0 760 112.714 0.932 8.745 1 T 2.001e+07 0.00e+00 a 0 0 0 0 0 761 112.708 0.631 8.745 1 T 8.062e+07 0.00e+00 a 0 0 0 0 0 762 112.708 0.476 8.745 1 T 1.944e+07 0.00e+00 a 0 0 0 0 0 766 112.680 8.338 8.745 1 T 6.327e+06 0.00e+00 a 0 0 0 0 0 767 112.705 7.680 8.745 1 T 6.862e+06 0.00e+00 a 0 0 0 0 0 768 112.702 7.224 8.746 1 T 8.015e+06 0.00e+00 a 0 0 0 0 0 774 122.088 4.124 7.934 1 T 9.179e+07 0.00e+00 a 0 0 0 0 0 775 122.079 3.960 7.934 1 T 1.898e+07 0.00e+00 a 0 0 0 0 0 776 122.074 3.389 7.935 1 T 3.467e+07 0.00e+00 a 0 0 0 0 0 777 122.048 2.366 7.931 1 T 7.525e+06 0.00e+00 a 0 0 0 0 0 778 122.071 2.069 7.931 1 T 4.534e+06 0.00e+00 a 0 0 0 0 0 779 122.083 1.871 7.934 1 T 1.368e+08 0.00e+00 a 0 0 0 0 0 780 122.084 1.663 7.934 1 T 1.811e+08 0.00e+00 a 0 0 0 0 0 781 122.079 1.495 7.935 1 T 3.509e+07 0.00e+00 a 0 0 0 0 0 782 122.113 1.325 7.934 1 T 1.464e+07 0.00e+00 a 0 0 0 0 0 783 122.076 0.932 7.934 1 T 3.920e+07 0.00e+00 a 0 0 0 0 0 784 122.087 0.468 7.933 1 T 5.060e+06 0.00e+00 a 0 0 0 0 0 788 122.072 8.655 7.935 1 T 4.989e+06 0.00e+00 a 0 0 0 0 0 789 122.087 8.459 7.934 1 T 9.759e+07 0.00e+00 a 0 0 0 0 0 790 122.093 8.184 7.935 1 T 2.759e+07 0.00e+00 a 0 0 0 0 0 792 119.278 3.942 7.595 1 T 1.151e+08 0.00e+00 a 0 0 0 0 0 793 119.275 3.709 7.596 1 T 3.366e+07 0.00e+00 a 0 0 0 0 0 794 119.236 2.370 7.598 1 T 5.432e+06 0.00e+00 a 0 0 0 0 0 795 119.269 2.111 7.595 1 T 7.268e+06 0.00e+00 a 0 0 0 0 0 796 119.266 1.740 7.596 1 T 1.027e+08 0.00e+00 a 0 0 0 0 0 797 119.260 1.624 7.595 1 T 1.388e+07 0.00e+00 a 0 0 0 0 0 798 119.322 1.609 7.596 1 T 1.145e+07 0.00e+00 a 0 0 0 0 0 799 119.269 1.410 7.596 1 T 3.337e+08 0.00e+00 a 0 0 0 0 0 800 119.237 1.286 7.597 1 T 7.341e+06 0.00e+00 a 0 0 0 0 0 801 119.265 0.823 7.596 1 T 2.162e+07 0.00e+00 a 0 0 0 0 0 802 119.646 6.940 7.648 1 T -4.339e+05 0.00e+00 a 0 0 0 0 0 803 119.266 8.221 7.596 1 T 1.189e+08 0.00e+00 a 0 0 0 0 0 805 119.231 7.940 7.596 1 T 6.722e+06 0.00e+00 a 0 0 0 0 0 809 118.030 4.530 8.242 1 T 7.241e+07 0.00e+00 a 0 0 0 0 0 810 118.029 4.019 8.242 1 T 3.038e+07 0.00e+00 a 0 0 0 0 0 811 118.025 3.894 8.243 1 T 4.244e+07 0.00e+00 a 0 0 0 0 0 812 118.026 2.826 8.242 1 T 2.217e+08 0.00e+00 a 0 0 0 0 0 813 118.023 2.361 8.242 1 T 1.223e+07 0.00e+00 a 0 0 0 0 0 814 118.025 2.105 8.242 1 T 1.198e+08 0.00e+00 a 0 0 0 0 0 815 117.972 1.377 8.240 1 T 7.889e+06 0.00e+00 a 0 0 0 0 0 819 118.028 7.836 8.242 1 T 1.058e+08 0.00e+00 a 0 0 0 0 0 820 118.024 7.662 8.242 1 T 9.298e+06 0.00e+00 a 0 0 0 0 0 825 111.504 4.516 9.011 1 T 4.834e+07 0.00e+00 a 0 0 0 0 0 826 111.520 2.405 9.010 1 T 1.499e+07 0.00e+00 a 0 0 0 0 0 827 111.511 1.755 9.011 1 T 1.566e+07 0.00e+00 a 0 0 0 0 0 828 111.514 1.530 9.011 1 T 8.316e+06 0.00e+00 a 0 0 0 0 0 829 111.506 1.206 9.011 1 T 1.381e+07 0.00e+00 a 0 0 0 0 0 830 111.505 0.916 9.011 1 T 2.635e+07 0.00e+00 a 0 0 0 0 0 835 111.515 8.154 9.011 1 T 2.909e+07 0.00e+00 a 0 0 0 0 0 836 111.510 7.221 9.011 1 T 2.776e+08 0.00e+00 a 0 0 0 0 0 842 114.813 4.277 6.919 1 T 2.700e+07 0.00e+00 a 0 0 0 0 0 843 114.772 3.934 6.919 1 T 6.022e+06 0.00e+00 a 0 0 0 0 0 844 114.901 3.720 6.918 1 T 6.506e+06 0.00e+00 a 0 0 0 0 0 845 114.818 2.829 6.920 1 T 8.798e+07 0.00e+00 a 0 0 0 0 0 846 114.810 1.953 6.920 1 T 8.751e+06 0.00e+00 a 0 0 0 0 0 847 114.814 1.369 6.919 1 T 3.515e+07 0.00e+00 a 0 0 0 0 0 848 114.823 7.374 6.920 1 T 3.825e+08 0.00e+00 a 0 0 0 0 0 850 115.791 4.438 8.563 1 T 7.526e+06 0.00e+00 a 0 0 0 0 0 851 115.762 4.319 8.562 1 T 8.930e+07 0.00e+00 a 0 0 0 0 0 852 115.760 3.917 8.562 1 T 3.755e+07 0.00e+00 a 0 0 0 0 0 853 115.754 3.700 8.562 1 T 2.857e+07 0.00e+00 a 0 0 0 0 0 854 115.759 2.763 8.562 1 T 1.398e+08 0.00e+00 a 0 0 0 0 0 855 115.766 1.815 8.562 1 T 5.043e+07 0.00e+00 a 0 0 0 0 0 856 115.761 1.686 8.562 1 T 1.150e+08 0.00e+00 a 0 0 0 0 0 857 115.774 1.564 8.562 1 T 7.085e+06 0.00e+00 a 0 0 0 0 0 858 115.771 1.410 8.563 1 T 7.654e+06 0.00e+00 a 0 0 0 0 0 860 115.764 0.630 8.562 1 T 2.208e+07 0.00e+00 a 0 0 0 0 0 861 115.774 0.486 8.562 1 T 1.105e+07 0.00e+00 a 0 0 0 0 0 867 115.775 7.953 8.563 1 T 8.176e+06 0.00e+00 a 0 0 0 0 0 868 115.764 7.823 8.562 1 T 6.234e+07 0.00e+00 a 0 0 0 0 0 869 115.768 7.674 8.562 1 T 9.506e+06 0.00e+00 a 0 0 0 0 0 874 115.768 8.995 8.563 1 T 9.523e+06 0.00e+00 a 0 0 0 0 0 875 118.131 3.902 7.898 1 T 3.250e+07 0.00e+00 a 0 0 0 0 0 876 118.049 3.801 7.897 1 T 1.007e+07 0.00e+00 a 0 0 0 0 0 877 118.154 3.787 7.902 1 T 8.513e+06 0.00e+00 a 0 0 0 0 0 878 118.115 3.627 7.898 1 T 8.064e+07 0.00e+00 a 0 0 0 0 0 879 118.129 3.367 7.899 1 T 2.168e+07 0.00e+00 a 0 0 0 0 0 880 118.082 1.768 7.898 1 T 7.922e+07 0.00e+00 a 0 0 0 0 0 881 118.108 1.416 7.898 1 T 1.556e+08 0.00e+00 a 0 0 0 0 0 882 118.112 1.314 7.898 1 T 9.208e+07 0.00e+00 a 0 0 0 0 0 883 118.124 1.047 7.899 1 T 5.709e+07 0.00e+00 a 0 0 0 0 0 884 118.116 0.777 7.898 1 T 2.939e+07 0.00e+00 a 0 0 0 0 0 885 118.095 0.588 7.898 1 T 3.914e+07 0.00e+00 a 0 0 0 0 0 886 118.133 7.113 7.899 1 T 8.532e+07 0.00e+00 a 0 0 0 0 0 889 118.143 8.403 7.899 1 T 8.143e+06 0.00e+00 a 0 0 0 0 0 890 118.118 8.281 7.899 1 T 8.889e+07 0.00e+00 a 0 0 0 0 0 891 121.021 4.532 7.688 1 T 6.588e+07 0.00e+00 a 0 0 0 0 0 892 121.021 3.694 7.688 1 T 8.421e+07 0.00e+00 a 0 0 0 0 0 893 121.023 2.935 7.687 1 T 1.788e+08 0.00e+00 a 0 0 0 0 0 895 121.029 1.997 7.688 1 T 6.351e+06 0.00e+00 a 0 0 0 0 0 896 121.032 1.585 7.688 1 T 5.926e+06 0.00e+00 a 0 0 0 0 0 897 121.043 0.797 7.688 1 T 1.169e+07 0.00e+00 a 0 0 0 0 0 898 121.045 0.466 7.687 1 T 6.363e+06 0.00e+00 a 0 0 0 0 0 899 121.023 7.176 7.687 1 T 4.901e+07 0.00e+00 a 0 0 0 0 0 900 121.014 8.560 7.687 1 T 7.403e+06 0.00e+00 a 0 0 0 0 0 901 121.027 8.310 7.687 1 T 1.044e+08 0.00e+00 a 0 0 0 0 0 902 121.024 8.201 7.686 1 T 1.156e+07 0.00e+00 a 0 0 0 0 0 906 122.231 4.048 8.223 1 T 7.117e+06 0.00e+00 a 0 0 0 0 0 907 122.223 4.018 8.232 1 T 1.208e+07 0.00e+00 a 0 0 0 0 0 908 122.280 3.403 8.226 1 T -1.834e+05 0.00e+00 a 0 0 0 0 0 910 122.243 2.384 8.227 1 T 5.801e+06 0.00e+00 a 0 0 0 0 0 911 122.251 2.034 8.227 1 T 9.863e+06 0.00e+00 a 0 0 0 0 0 912 122.173 1.264 8.227 1 T 2.516e+07 0.00e+00 a 0 0 0 0 0 914 122.175 0.818 8.227 1 T 1.963e+07 0.00e+00 a 0 0 0 0 0 915 122.259 0.783 8.231 1 T 1.069e+07 0.00e+00 a 0 0 0 0 0 916 122.295 0.475 8.233 1 T -8.618e+05 0.00e+00 a 0 0 0 0 0 919 122.257 7.770 8.228 1 T 4.266e+06 0.00e+00 a 0 0 0 0 0 920 122.279 7.461 8.238 1 T 8.732e+05 0.00e+00 a 0 0 0 0 0 932 119.098 2.150 8.168 1 T 8.717e+06 0.00e+00 a 0 0 0 0 0 933 117.114 4.526 7.984 1 T 2.785e+07 0.00e+00 a 0 0 0 0 0 934 117.127 4.011 7.982 1 T 6.820e+06 0.00e+00 a 0 0 0 0 0 935 117.107 3.893 7.983 1 T 8.489e+07 0.00e+00 a 0 0 0 0 0 936 117.118 3.793 7.982 1 T 1.789e+07 0.00e+00 a 0 0 0 0 0 937 117.117 3.152 7.983 1 T 1.987e+08 0.00e+00 a 0 0 0 0 0 938 117.116 2.941 7.983 1 T 5.516e+07 0.00e+00 a 0 0 0 0 0 939 117.103 2.374 7.983 1 T 6.890e+06 0.00e+00 a 0 0 0 0 0 940 117.104 2.089 7.984 1 T 1.255e+07 0.00e+00 a 0 0 0 0 0 941 117.086 1.396 7.982 1 T 1.470e+07 0.00e+00 a 0 0 0 0 0 942 117.093 7.085 7.984 1 T 2.000e+07 0.00e+00 a 0 0 0 0 0 943 117.085 6.955 7.984 1 T 1.536e+07 0.00e+00 a 0 0 0 0 0 944 117.058 8.527 7.980 1 T 7.621e+06 0.00e+00 a 0 0 0 0 0 945 117.140 8.501 7.984 1 T 8.488e+06 0.00e+00 a 0 0 0 0 0 946 117.140 8.433 7.981 1 T 9.762e+06 0.00e+00 a 0 0 0 0 0 947 117.132 8.324 7.983 1 T 1.001e+08 0.00e+00 a 0 0 0 0 0 948 111.508 4.517 7.221 1 T 4.320e+07 0.00e+00 a 0 0 0 0 0 950 111.507 2.400 7.221 1 T 5.382e+07 0.00e+00 a 0 0 0 0 0 951 111.519 2.255 7.221 1 T 6.217e+06 0.00e+00 a 0 0 0 0 0 952 111.506 1.752 7.221 1 T 6.072e+07 0.00e+00 a 0 0 0 0 0 953 111.505 1.540 7.223 1 T 6.144e+06 0.00e+00 a 0 0 0 0 0 954 111.521 1.192 7.222 1 T 5.858e+06 0.00e+00 a 0 0 0 0 0 955 111.502 0.910 7.222 1 T 2.485e+07 0.00e+00 a 0 0 0 0 0 966 111.510 9.015 7.221 1 T 2.855e+08 0.00e+00 a 0 0 0 0 0 967 111.494 8.759 7.222 1 T 1.211e+07 0.00e+00 a 0 0 0 0 0 968 111.484 8.156 7.222 1 T 8.975e+06 0.00e+00 a 0 0 0 0 0 969 123.064 4.381 7.975 1 T 2.170e+07 0.00e+00 a 0 0 0 0 0 970 123.045 4.159 7.976 1 T 1.231e+08 0.00e+00 a 0 0 0 0 0 971 123.041 2.680 7.976 1 T 6.791e+07 0.00e+00 a 0 0 0 0 0 972 123.019 1.707 7.973 1 T 6.234e+06 0.00e+00 a 0 0 0 0 0 973 123.041 1.526 7.976 1 T 2.922e+08 0.00e+00 a 0 0 0 0 0 974 123.085 1.410 7.976 1 T 1.427e+07 0.00e+00 a 0 0 0 0 0 975 123.038 1.346 7.975 1 T 9.507e+06 0.00e+00 a 0 0 0 0 0 976 123.037 0.927 7.977 1 T 1.008e+07 0.00e+00 a 0 0 0 0 0 978 123.040 7.481 7.976 1 T 9.273e+07 0.00e+00 a 0 0 0 0 0 979 123.051 7.044 7.977 1 T 6.618e+06 0.00e+00 a 0 0 0 0 0 980 123.041 8.435 7.976 1 T 1.580e+07 0.00e+00 a 0 0 0 0 0 981 124.523 4.379 7.037 1 T 3.309e+07 0.00e+00 a 0 0 0 0 0 982 124.528 4.285 7.037 1 T 1.189e+08 0.00e+00 a 0 0 0 0 0 983 124.498 3.710 7.038 1 T 1.022e+07 0.00e+00 a 0 0 0 0 0 984 124.535 3.558 7.036 1 T 7.616e+06 0.00e+00 a 0 0 0 0 0 985 124.516 2.829 7.036 1 T 1.249e+07 0.00e+00 a 0 0 0 0 0 986 124.541 2.405 7.036 1 T 9.683e+06 0.00e+00 a 0 0 0 0 0 987 124.522 1.745 7.037 1 T 1.400e+07 0.00e+00 a 0 0 0 0 0 988 124.526 1.546 7.035 1 T 1.051e+07 0.00e+00 a 0 0 0 0 0 989 124.526 1.480 7.036 1 T 9.700e+06 0.00e+00 a 0 0 0 0 0 990 124.526 1.368 7.037 1 T 3.350e+08 0.00e+00 a 0 0 0 0 0 991 124.536 1.251 7.039 1 T 9.955e+06 0.00e+00 a 0 0 0 0 0 992 124.515 7.989 7.037 1 T 1.341e+07 0.00e+00 a 0 0 0 0 0 993 124.525 7.470 7.036 1 T 1.222e+08 0.00e+00 a 0 0 0 0 0 994 124.535 7.358 7.036 1 T 1.547e+07 0.00e+00 a 0 0 0 0 0 995 112.103 3.933 7.521 1 T 1.392e+07 0.00e+00 a 0 0 0 0 0 996 112.079 2.761 7.521 1 T 4.481e+07 0.00e+00 a 0 0 0 0 0 997 112.119 1.952 7.520 1 T 5.669e+06 0.00e+00 a 0 0 0 0 0 998 111.649 1.520 7.528 1 T 5.505e+06 0.00e+00 a 0 0 0 0 0 999 111.632 0.944 7.532 1 T 3.395e+07 0.00e+00 a 0 0 0 0 0 1002 112.076 6.939 7.521 1 T 8.140e+08 0.00e+00 a 0 0 0 0 0 1003 112.100 6.831 7.521 1 T 1.601e+07 0.00e+00 a 0 0 0 0 0 1005 111.629 9.022 7.531 1 T 9.239e+06 0.00e+00 a 0 0 0 0 0 1006 111.609 8.164 7.532 1 T 3.461e+08 0.00e+00 a 0 0 0 0 0 1009 110.884 3.158 6.876 1 T 1.473e+07 0.00e+00 a 0 0 0 0 0 1010 110.841 2.853 6.876 1 T 2.299e+07 0.00e+00 a 0 0 0 0 0 1011 110.900 2.343 6.876 1 T 6.105e+06 0.00e+00 a 0 0 0 0 0 1012 110.856 7.472 6.877 1 T 6.126e+08 0.00e+00 a 0 0 0 0 0 1014 110.885 7.277 6.874 1 T 9.357e+06 0.00e+00 a 0 0 0 0 0 1017 116.166 4.001 6.789 1 T 8.345e+06 0.00e+00 a 0 0 0 0 0 1018 116.161 3.752 6.790 1 T 3.567e+07 0.00e+00 a 0 0 0 0 0 1019 116.175 3.024 6.791 1 T 2.557e+07 0.00e+00 a 0 0 0 0 0 1020 116.135 2.327 6.791 1 T 6.641e+06 0.00e+00 a 0 0 0 0 0 1021 116.169 1.957 6.790 1 T 1.070e+07 0.00e+00 a 0 0 0 0 0 1022 116.175 0.789 6.790 1 T 2.276e+07 0.00e+00 a 0 0 0 0 0 1023 116.194 7.977 6.789 1 T 8.682e+06 0.00e+00 a 0 0 0 0 0 1024 116.170 7.872 6.790 1 T 3.943e+08 0.00e+00 a 0 0 0 0 0 1026 116.163 7.368 6.790 1 T 9.118e+06 0.00e+00 a 0 0 0 0 0 1027 119.363 8.025 8.271 1 T 1.520e+07 0.00e+00 a 0 0 0 0 0 1028 117.831 3.941 8.394 1 T 3.760e+07 0.00e+00 a 0 0 0 0 0 1029 117.842 3.695 8.393 1 T 9.606e+07 0.00e+00 a 0 0 0 0 0 1030 117.873 3.385 8.394 1 T 2.217e+07 0.00e+00 a 0 0 0 0 0 1031 117.851 1.851 8.394 1 T 7.122e+07 0.00e+00 a 0 0 0 0 0 1032 117.848 1.671 8.394 1 T 1.797e+08 0.00e+00 a 0 0 0 0 0 1033 117.850 1.541 8.394 1 T 1.301e+08 0.00e+00 a 0 0 0 0 0 1034 117.848 1.250 8.393 1 T 1.776e+07 0.00e+00 a 0 0 0 0 0 1035 117.851 0.979 8.394 1 T 4.492e+07 0.00e+00 a 0 0 0 0 0 1036 117.840 0.820 8.393 1 T 3.030e+07 0.00e+00 a 0 0 0 0 0 1037 117.835 0.624 8.394 1 T 2.412e+07 0.00e+00 a 0 0 0 0 0 1038 117.850 0.453 8.394 1 T 1.180e+08 0.00e+00 a 0 0 0 0 0 1045 117.837 7.925 8.394 1 T 1.611e+07 0.00e+00 a 0 0 0 0 0 1046 117.868 7.787 8.395 1 T 2.223e+07 0.00e+00 a 0 0 0 0 0 1047 117.853 7.661 8.394 1 T 1.211e+08 0.00e+00 a 0 0 0 0 0 1051 111.567 2.385 7.533 1 T 3.165e+07 0.00e+00 a 0 0 0 0 0 1052 111.569 2.284 7.533 1 T 5.995e+07 0.00e+00 a 0 0 0 0 0 1053 111.591 1.203 7.532 1 T 7.300e+06 0.00e+00 a 0 0 0 0 0 1055 111.572 9.004 7.530 1 T 8.534e+06 0.00e+00 a 0 0 0 0 0 1056 124.396 4.454 7.135 1 T 6.467e+07 0.00e+00 a 0 0 0 0 0 1057 124.379 3.972 7.134 1 T 6.546e+06 0.00e+00 a 0 0 0 0 0 1058 124.387 3.614 7.134 1 T 7.633e+06 0.00e+00 a 0 0 0 0 0 1059 124.413 3.354 7.135 1 T 3.708e+07 0.00e+00 a 0 0 0 0 0 1060 124.426 2.651 7.135 1 T 1.270e+07 0.00e+00 a 0 0 0 0 0 1061 124.400 2.132 7.135 1 T 1.507e+08 0.00e+00 a 0 0 0 0 0 1062 124.403 1.697 7.135 1 T 1.682e+08 0.00e+00 a 0 0 0 0 0 1063 124.355 1.586 7.137 1 T 7.678e+06 0.00e+00 a 0 0 0 0 0 1064 124.339 1.404 7.134 1 T 6.546e+06 0.00e+00 a 0 0 0 0 0 1065 124.405 1.283 7.135 1 T 5.364e+07 0.00e+00 a 0 0 0 0 0 1066 124.363 0.993 7.134 1 T 1.357e+07 0.00e+00 a 0 0 0 0 0 1067 124.434 0.792 7.135 1 T 3.129e+07 0.00e+00 a 0 0 0 0 0 1068 124.379 0.621 7.134 1 T 3.852e+07 0.00e+00 a 0 0 0 0 0 1069 124.328 0.493 7.133 1 T 5.238e+06 0.00e+00 a 0 0 0 0 0 1070 124.445 7.896 7.134 1 T 8.147e+06 0.00e+00 a 0 0 0 0 0 1072 117.862 4.654 8.521 1 T 3.866e+07 0.00e+00 a 0 0 0 0 0 1073 117.892 4.438 8.520 1 T 1.352e+07 0.00e+00 a 0 0 0 0 0 1074 117.879 4.412 8.521 1 T 1.348e+07 0.00e+00 a 0 0 0 0 0 1075 118.187 4.301 8.521 1 T 9.037e+05 0.00e+00 a 0 0 0 0 0 1077 117.845 3.929 8.520 1 T 1.052e+08 0.00e+00 a 0 0 0 0 0 1078 117.848 2.187 8.521 1 T 4.126e+07 0.00e+00 a 0 0 0 0 0 1079 117.847 1.938 8.521 1 T 2.641e+08 0.00e+00 a 0 0 0 0 0 1080 117.850 1.810 8.521 1 T 8.572e+07 0.00e+00 a 0 0 0 0 0 1081 117.789 1.214 8.519 1 T 6.015e+06 0.00e+00 a 0 0 0 0 0 1088 117.912 7.783 8.521 1 T 6.527e+06 0.00e+00 a 0 0 0 0 0 1089 117.844 7.664 8.520 1 T 8.500e+07 0.00e+00 a 0 0 0 0 0 1094 117.847 8.954 8.520 1 T 7.959e+07 0.00e+00 a 0 0 0 0 0 1095 114.374 4.942 8.820 1 T 5.713e+07 0.00e+00 a 0 0 0 0 0 1096 114.397 4.477 8.821 1 T 1.012e+07 0.00e+00 a 0 0 0 0 0 1097 114.384 4.348 8.821 1 T 1.473e+07 0.00e+00 a 0 0 0 0 0 1098 114.385 3.996 8.820 1 T 1.061e+07 0.00e+00 a 0 0 0 0 0 1099 114.376 3.751 8.820 1 T 3.937e+07 0.00e+00 a 0 0 0 0 0 1100 114.370 2.826 8.820 1 T 9.085e+07 0.00e+00 a 0 0 0 0 0 1101 114.375 1.944 8.820 1 T 6.336e+07 0.00e+00 a 0 0 0 0 0 1102 114.385 1.672 8.820 1 T 2.275e+07 0.00e+00 a 0 0 0 0 0 1103 114.370 1.262 8.820 1 T 2.151e+07 0.00e+00 a 0 0 0 0 0 1104 114.348 0.947 8.820 1 T 8.572e+06 0.00e+00 a 0 0 0 0 0 1110 114.396 8.407 8.820 1 T 1.048e+07 0.00e+00 a 0 0 0 0 0 1111 114.368 6.922 8.820 1 T 1.368e+07 0.00e+00 a 0 0 0 0 0 1112 114.373 6.785 8.821 1 T 1.032e+07 0.00e+00 a 0 0 0 0 0 1113 114.373 6.458 8.820 1 T 9.762e+07 0.00e+00 a 0 0 0 0 0 1119 111.790 2.365 7.146 1 T 4.554e+07 0.00e+00 a 0 0 0 0 0 1120 111.798 6.789 7.146 1 T 6.987e+08 0.00e+00 a 0 0 0 0 0 1121 119.312 4.672 7.661 1 T 8.481e+06 0.00e+00 a 0 0 0 0 0 1122 119.365 4.651 7.663 1 T 9.951e+06 0.00e+00 a 0 0 0 0 0 1123 119.312 3.938 7.662 1 T 2.127e+07 0.00e+00 a 0 0 0 0 0 1124 119.392 3.912 7.661 1 T 2.499e+07 0.00e+00 a 0 0 0 0 0 1125 119.367 3.700 7.662 1 T 6.161e+07 0.00e+00 a 0 0 0 0 0 1126 119.379 2.424 7.661 1 T 1.573e+08 0.00e+00 a 0 0 0 0 0 1127 119.385 1.942 7.661 1 T 4.863e+07 0.00e+00 a 0 0 0 0 0 1128 119.371 1.807 7.662 1 T 4.583e+07 0.00e+00 a 0 0 0 0 0 1129 119.376 1.543 7.662 1 T 4.138e+07 0.00e+00 a 0 0 0 0 0 1130 119.312 1.199 7.662 1 T 1.436e+07 0.00e+00 a 0 0 0 0 0 1132 119.370 8.959 7.662 1 T 7.364e+06 0.00e+00 a 0 0 0 0 0 1134 119.379 8.674 7.661 1 T 9.402e+07 0.00e+00 a 0 0 0 0 0 1135 119.373 8.519 7.661 1 T 8.689e+07 0.00e+00 a 0 0 0 0 0 1137 119.434 8.198 7.660 1 T 4.190e+06 0.00e+00 a 0 0 0 0 0 1139 121.966 4.657 8.955 1 T 7.992e+07 0.00e+00 a 0 0 0 0 0 1140 121.995 4.524 8.954 1 T 9.546e+06 0.00e+00 a 0 0 0 0 0 1141 121.967 4.416 8.955 1 T 1.795e+08 0.00e+00 a 0 0 0 0 0 1142 121.968 3.882 8.955 1 T 7.423e+07 0.00e+00 a 0 0 0 0 0 1144 121.967 1.942 8.955 1 T 1.753e+08 0.00e+00 a 0 0 0 0 0 1145 122.009 1.819 8.953 1 T 6.349e+06 0.00e+00 a 0 0 0 0 0 1146 121.977 1.203 8.954 1 T 2.746e+07 0.00e+00 a 0 0 0 0 0 1152 121.972 8.519 8.955 1 T 7.908e+07 0.00e+00 a 0 0 0 0 0 1161 118.650 4.150 8.186 1 T 5.703e+06 0.00e+00 a 0 0 0 0 0 1162 118.635 6.814 8.195 1 T 2.754e+06 0.00e+00 a 0 0 0 0 0 1167 116.595 4.773 7.475 1 T 4.997e+07 0.00e+00 a 0 0 0 0 0 1168 116.603 4.407 7.477 1 T 1.217e+07 0.00e+00 a 0 0 0 0 0 1169 116.623 4.147 7.474 1 T 1.866e+07 0.00e+00 a 0 0 0 0 0 1170 116.606 3.977 7.473 1 T 7.702e+06 0.00e+00 a 0 0 0 0 0 1171 116.592 3.822 7.475 1 T 1.110e+08 0.00e+00 a 0 0 0 0 0 1172 116.599 3.729 7.474 1 T 9.898e+07 0.00e+00 a 0 0 0 0 0 1173 116.582 2.558 7.477 1 T 6.285e+06 0.00e+00 a 0 0 0 0 0 1174 116.608 2.237 7.474 1 T 8.135e+06 0.00e+00 a 0 0 0 0 0 1175 116.616 1.695 7.474 1 T 6.885e+06 0.00e+00 a 0 0 0 0 0 1176 116.578 0.912 7.477 1 T 1.946e+07 0.00e+00 a 0 0 0 0 0 1177 116.767 0.807 7.474 1 T 6.065e+06 0.00e+00 a 0 0 0 0 0 1178 116.433 0.793 7.477 1 T 6.037e+06 0.00e+00 a 0 0 0 0 0 1179 116.628 0.672 7.475 1 T 2.118e+07 0.00e+00 a 0 0 0 0 0 1180 116.590 8.414 7.476 1 T 5.703e+07 0.00e+00 a 0 0 0 0 0 1181 116.583 8.287 7.478 1 T 6.735e+06 0.00e+00 a 0 0 0 0 0 1182 116.697 8.247 7.476 1 T 6.842e+06 0.00e+00 a 0 0 0 0 0 1183 116.588 8.158 7.477 1 T 9.176e+06 0.00e+00 a 0 0 0 0 0 1184 116.809 7.942 7.477 1 T 3.000e+06 0.00e+00 a 0 0 0 0 0 1185 116.581 7.874 7.475 1 T 5.667e+06 0.00e+00 a 0 0 0 0 0 1186 123.405 3.925 8.231 1 T 3.201e+07 0.00e+00 a 0 0 0 0 0 1187 123.368 3.718 8.231 1 T 5.415e+07 0.00e+00 a 0 0 0 0 0 1188 123.397 3.391 8.231 1 T 9.512e+07 0.00e+00 a 0 0 0 0 0 1189 123.411 2.375 8.231 1 T 1.145e+07 0.00e+00 a 0 0 0 0 0 1190 123.389 2.087 8.231 1 T 1.091e+08 0.00e+00 a 0 0 0 0 0 1191 123.404 1.684 8.233 1 T 1.014e+07 0.00e+00 a 0 0 0 0 0 1193 123.324 0.977 8.231 1 T 6.996e+06 0.00e+00 a 0 0 0 0 0 1194 123.385 0.830 8.231 1 T 1.577e+07 0.00e+00 a 0 0 0 0 0 1195 123.351 0.647 8.232 1 T 5.900e+06 0.00e+00 a 0 0 0 0 0 1196 123.386 0.451 8.231 1 T 2.415e+08 0.00e+00 a 0 0 0 0 0 1201 123.337 7.919 8.229 1 T 1.538e+07 0.00e+00 a 0 0 0 0 0 1202 123.398 7.784 8.231 1 T 1.147e+08 0.00e+00 a 0 0 0 0 0 1203 123.401 7.631 8.232 1 T 9.788e+06 0.00e+00 a 0 0 0 0 0 1204 123.335 7.175 8.233 1 T 1.083e+07 0.00e+00 a 0 0 0 0 0 1205 123.409 7.156 8.232 1 T 1.086e+07 0.00e+00 a 0 0 0 0 0 1213 118.321 4.355 8.067 1 T 7.833e+07 0.00e+00 a 0 0 0 0 0 1214 118.335 4.219 8.067 1 T 3.316e+07 0.00e+00 a 0 0 0 0 0 1215 118.304 3.910 8.067 1 T 2.505e+07 0.00e+00 a 0 0 0 0 0 1216 118.320 3.815 8.067 1 T 1.772e+07 0.00e+00 a 0 0 0 0 0 1217 118.318 2.657 8.067 1 T 1.575e+08 0.00e+00 a 0 0 0 0 0 1218 118.328 1.888 8.067 1 T 7.866e+07 0.00e+00 a 0 0 0 0 0 1219 118.300 1.729 8.067 1 T 1.108e+07 0.00e+00 a 0 0 0 0 0 1220 118.272 1.558 8.066 1 T 5.966e+06 0.00e+00 a 0 0 0 0 0 1221 118.313 1.311 8.067 1 T 1.741e+07 0.00e+00 a 0 0 0 0 0 1222 118.311 7.465 8.067 1 T 8.684e+07 0.00e+00 a 0 0 0 0 0 1224 118.327 8.460 8.066 1 T 9.118e+06 0.00e+00 a 0 0 0 0 0 1230 124.531 7.220 7.034 1 T 1.801e+07 0.00e+00 a 0 0 0 0 0 1234 124.369 6.953 7.133 1 T 1.201e+07 0.00e+00 a 0 0 0 0 0 1236 124.517 6.921 7.036 1 T 5.084e+07 0.00e+00 a 0 0 0 0 0 1239 123.397 8.398 8.231 1 T 8.878e+07 0.00e+00 a 0 0 0 0 0 1243 123.044 8.175 7.975 1 T 1.163e+08 0.00e+00 a 0 0 0 0 0 1245 123.076 7.867 7.977 1 T 2.767e+07 0.00e+00 a 0 0 0 0 0 1249 122.060 8.114 8.225 1 T 5.497e+07 0.00e+00 a 0 0 0 0 0 1252 122.085 7.667 7.934 1 T 1.145e+08 0.00e+00 a 0 0 0 0 0 1261 121.617 8.413 8.219 1 T 1.358e+08 0.00e+00 a 0 0 0 0 0 1263 121.263 8.187 8.446 1 T 1.271e+08 0.00e+00 a 0 0 0 0 0 1264 121.019 7.801 7.687 1 T 9.797e+07 0.00e+00 a 0 0 0 0 0 1266 120.466 8.230 8.419 1 T 1.290e+08 0.00e+00 a 0 0 0 0 0 1269 120.250 7.934 7.658 1 T 1.004e+08 0.00e+00 a 0 0 0 0 0 1271 120.027 7.599 7.772 1 T 1.071e+08 0.00e+00 a 0 0 0 0 0 1272 119.822 8.563 8.669 1 T 1.492e+08 0.00e+00 a 0 0 0 0 0 1275 119.656 8.445 8.180 1 T 1.126e+08 0.00e+00 a 0 0 0 0 0 1276 119.631 8.289 8.179 1 T 1.095e+08 0.00e+00 a 0 0 0 0 0 1278 120.016 7.960 7.771 1 T 2.128e+07 0.00e+00 a 0 0 0 0 0 1280 120.218 7.771 7.660 1 T 6.325e+07 0.00e+00 a 0 0 0 0 0 1282 120.243 7.472 7.656 1 T 1.190e+07 0.00e+00 a 0 0 0 0 0 1284 119.836 8.931 8.669 1 T 2.406e+07 0.00e+00 a 0 0 0 0 0 1286 119.353 7.549 7.661 1 T 4.639e+07 0.00e+00 a 0 0 0 0 0 1287 119.292 7.778 7.595 1 T 1.045e+08 0.00e+00 a 0 0 0 0 0 1288 119.251 7.483 7.597 1 T 5.003e+07 0.00e+00 a 0 0 0 0 0 1290 119.266 8.112 8.222 1 T 6.442e+07 0.00e+00 a 0 0 0 0 0 1291 119.222 8.097 8.206 1 T 6.608e+07 0.00e+00 a 0 0 0 0 0 1292 119.233 7.948 8.201 1 T 9.354e+07 0.00e+00 a 0 0 0 0 0 1293 119.022 8.207 8.312 1 T 1.429e+08 0.00e+00 a 0 0 0 0 0 1294 118.799 8.460 8.184 1 T 8.506e+07 0.00e+00 a 0 0 0 0 0 1295 118.741 8.401 8.509 1 T 1.214e+08 0.00e+00 a 0 0 0 0 0 1296 118.768 8.252 8.509 1 T 9.294e+07 0.00e+00 a 0 0 0 0 0 1299 118.876 8.296 8.185 1 T 6.233e+07 0.00e+00 a 0 0 0 0 0 1301 118.798 7.987 8.184 1 T 1.175e+08 0.00e+00 a 0 0 0 0 0 1302 119.341 8.384 8.270 1 T 5.548e+07 0.00e+00 a 0 0 0 0 0 1303 118.324 7.937 8.067 1 T 1.088e+08 0.00e+00 a 0 0 0 0 0 1304 118.329 8.179 8.067 1 T 5.732e+07 0.00e+00 a 0 0 0 0 0 1305 118.294 8.315 8.066 1 T 1.667e+07 0.00e+00 a 0 0 0 0 0 1307 117.983 8.129 8.242 1 T 6.144e+07 0.00e+00 a 0 0 0 0 0 1308 117.840 8.267 8.393 1 T 1.069e+08 0.00e+00 a 0 0 0 0 0 1311 117.813 8.773 8.519 1 T 1.890e+07 0.00e+00 a 0 0 0 0 0 1315 117.781 8.250 8.136 1 T 7.180e+07 0.00e+00 a 0 0 0 0 0 1317 117.782 8.321 8.136 1 T 2.909e+07 0.00e+00 a 0 0 0 0 0 1319 117.780 7.974 8.136 1 T 6.141e+07 0.00e+00 a 0 0 0 0 0 1321 118.060 7.960 8.242 1 T 1.625e+07 0.00e+00 a 0 0 0 0 0 1323 118.120 8.010 7.898 1 T 4.864e+07 0.00e+00 a 0 0 0 0 0 1326 118.019 8.505 8.242 1 T 9.049e+07 0.00e+00 a 0 0 0 0 0 1327 117.111 8.107 7.983 1 T 9.120e+07 0.00e+00 a 0 0 0 0 0 1328 117.118 7.871 7.983 1 T 3.157e+07 0.00e+00 a 0 0 0 0 0 1329 116.981 8.192 8.459 1 T 7.545e+07 0.00e+00 a 0 0 0 0 0 1332 116.619 8.044 7.915 1 T 1.238e+08 0.00e+00 a 0 0 0 0 0 1333 116.609 7.807 7.915 1 T 4.132e+07 0.00e+00 a 0 0 0 0 0 1335 116.602 7.661 7.474 1 T 1.127e+07 0.00e+00 a 0 0 0 0 0 1336 116.593 7.589 7.476 1 T 4.126e+07 0.00e+00 a 0 0 0 0 0 1339 116.602 7.289 7.473 1 T 1.339e+07 0.00e+00 a 0 0 0 0 0 1340 116.594 7.191 7.474 1 T 1.194e+08 0.00e+00 a 0 0 0 0 0 1342 116.646 7.953 7.849 1 T 5.166e+07 0.00e+00 a 0 0 0 0 0 1343 116.580 8.093 7.848 1 T 1.530e+07 0.00e+00 a 0 0 0 0 0 1344 116.174 6.899 6.789 1 T 2.990e+07 0.00e+00 a 0 0 0 0 0 1346 115.765 8.674 8.562 1 T 1.005e+08 0.00e+00 a 0 0 0 0 0 1349 115.737 8.310 8.562 1 T 1.151e+07 0.00e+00 a 0 0 0 0 0 1351 115.263 8.191 7.944 1 T 9.177e+07 0.00e+00 a 0 0 0 0 0 1352 115.281 8.057 7.944 1 T 7.536e+07 0.00e+00 a 0 0 0 0 0 1353 115.288 7.846 7.944 1 T 6.707e+07 0.00e+00 a 0 0 0 0 0 1354 115.222 7.658 7.471 1 T 6.973e+06 0.00e+00 a 0 0 0 0 0 1355 115.175 7.663 7.465 1 T 7.150e+06 0.00e+00 a 0 0 0 0 0 1357 115.098 7.359 7.473 1 T 3.252e+07 0.00e+00 a 0 0 0 0 0 1358 115.160 7.475 7.191 1 T 1.181e+08 0.00e+00 a 0 0 0 0 0 1361 115.121 7.077 7.194 1 T 4.320e+07 0.00e+00 a 0 0 0 0 0 1364 114.718 7.657 7.471 1 T 5.299e+06 0.00e+00 a 0 0 0 0 0 1368 114.372 8.648 8.819 1 T 1.078e+07 0.00e+00 a 0 0 0 0 0 1372 114.800 7.025 6.922 1 T 2.427e+07 0.00e+00 a 0 0 0 0 0 1373 114.815 6.809 6.921 1 T 3.183e+07 0.00e+00 a 0 0 0 0 0 1374 114.731 7.270 7.471 1 T 7.300e+06 0.00e+00 a 0 0 0 0 0 1375 114.745 7.226 7.472 1 T 6.529e+06 0.00e+00 a 0 0 0 0 0 1377 114.890 7.483 7.377 1 T 2.662e+07 0.00e+00 a 0 0 0 0 0 1379 113.222 7.929 8.114 1 T 9.487e+06 0.00e+00 a 0 0 0 0 0 1381 113.268 8.299 8.115 1 T 1.980e+07 0.00e+00 a 0 0 0 0 0 1382 113.264 8.232 8.117 1 T 5.562e+07 0.00e+00 a 0 0 0 0 0 1388 112.712 9.006 8.745 1 T 5.463e+07 0.00e+00 a 0 0 0 0 0 1391 112.686 8.551 8.744 1 T 1.115e+07 0.00e+00 a 0 0 0 0 0 1394 112.287 7.825 7.638 1 T 6.381e+06 0.00e+00 a 0 0 0 0 0 1396 112.093 7.054 7.272 1 T 5.406e+08 0.00e+00 a 0 0 0 0 0 1397 112.059 7.156 7.273 1 T 2.770e+07 0.00e+00 a 0 0 0 0 0 1399 112.093 7.271 7.055 1 T 5.407e+08 0.00e+00 a 0 0 0 0 0 1400 112.136 6.834 6.945 1 T 4.139e+07 0.00e+00 a 0 0 0 0 0 1401 111.745 6.676 6.789 1 T 3.553e+07 0.00e+00 a 0 0 0 0 0 1403 111.712 6.900 6.786 1 T 1.329e+07 0.00e+00 a 0 0 0 0 0 1406 111.499 8.761 9.010 1 T 2.325e+07 0.00e+00 a 0 0 0 0 0 1412 108.582 7.701 7.813 1 T 1.026e+08 0.00e+00 a 0 0 0 0 0 1413 108.587 7.921 7.813 1 T 5.327e+07 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 . . N 15 N . . 25.994 ppm . . . 118.002 . . 34430 2 2 . . H 1 H . . 10.990 ppm . . . 4.717 . . 34430 2 3 . . H 1 HN . . 5.512 ppm . . . 4.717 . . 34430 2 stop_ save_