data_30869 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30869 _Entry.Title ; Jug R 2 N-Terminal Fragment 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-25 _Entry.Accession_date 2021-02-25 _Entry.Last_release_date 2021-03-07 _Entry.Original_release_date 2021-03-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Mueller G. A. . . 30869 2 A. Foo A. C.Y. . . 30869 3 E. DeRose E. F. . . 30869 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ALLERGEN . 30869 'Seed storage' . 30869 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30869 spectral_peak_list 9 30869 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 131 30869 '15N chemical shifts' 38 30869 '1H chemical shifts' 160 30869 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 2 . . 2022-06-28 2021-02-25 update BMRB 'update entry citation' 30869 1 . . 2022-01-28 2021-02-25 original author 'original release' 30869 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7LVE 'BMRB Entry Tracking System' 30869 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30869 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35139305 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Agric. Food Chem.' _Citation.Journal_name_full 'Journal of agricultural and food chemistry' _Citation.Journal_volume 70 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5118 _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 2389 _Citation.Page_last 2400 _Citation.Year 2022 _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 Alexander Foo . . . . 30869 1 2 Jacqueline Nesbit J. B. . . 30869 1 3 Stephen Gipson . . . . 30869 1 4 Hsiaopo Cheng H. . . . 30869 1 5 Pierre Bushel P. . . . 30869 1 6 Eugene DeRose E. F. . . 30869 1 7 Catherine Schein C. H. . . 30869 1 8 Suzanne Teuber S. S. . . 30869 1 9 Barry Hurlburt B. K. . . 30869 1 10 Soheila Maleki S. J. . . 30869 1 11 Geoffrey Mueller G. A. . . 30869 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30869 _Assembly.ID 1 _Assembly.Name 'Vicilin Jug r 2.0101' _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 . . . . . . 30869 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . . . 30869 1 2 disulfide single . 1 . 1 CYS 16 16 SG . 1 . 1 CYS 29 29 SG . . . . . . . . . . . . 30869 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30869 _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 ; GMQDPQQQYHRCQRRCQIQE QSPERQRQCQQRCERQYKEQ QGRERGP ; _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 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Leader sequence, residues 117-161' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5915.524 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '7S globulin' common 30869 1 '7S seed storage protein' common 30869 1 'Allergen Jug r 2' common 30869 1 'Vicilin Jug r 2' common 30869 1 'Vicilin-like Jug r 2' common 30869 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30869 1 2 . MET . 30869 1 3 . GLN . 30869 1 4 . ASP . 30869 1 5 . PRO . 30869 1 6 . GLN . 30869 1 7 . GLN . 30869 1 8 . GLN . 30869 1 9 . TYR . 30869 1 10 . HIS . 30869 1 11 . ARG . 30869 1 12 . CYS . 30869 1 13 . GLN . 30869 1 14 . ARG . 30869 1 15 . ARG . 30869 1 16 . CYS . 30869 1 17 . GLN . 30869 1 18 . ILE . 30869 1 19 . GLN . 30869 1 20 . GLU . 30869 1 21 . GLN . 30869 1 22 . SER . 30869 1 23 . PRO . 30869 1 24 . GLU . 30869 1 25 . ARG . 30869 1 26 . GLN . 30869 1 27 . ARG . 30869 1 28 . GLN . 30869 1 29 . CYS . 30869 1 30 . GLN . 30869 1 31 . GLN . 30869 1 32 . ARG . 30869 1 33 . CYS . 30869 1 34 . GLU . 30869 1 35 . ARG . 30869 1 36 . GLN . 30869 1 37 . TYR . 30869 1 38 . LYS . 30869 1 39 . GLU . 30869 1 40 . GLN . 30869 1 41 . GLN . 30869 1 42 . GLY . 30869 1 43 . ARG . 30869 1 44 . GLU . 30869 1 45 . ARG . 30869 1 46 . GLY . 30869 1 47 . PRO . 30869 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30869 1 . MET 2 2 30869 1 . GLN 3 3 30869 1 . ASP 4 4 30869 1 . PRO 5 5 30869 1 . GLN 6 6 30869 1 . GLN 7 7 30869 1 . GLN 8 8 30869 1 . TYR 9 9 30869 1 . HIS 10 10 30869 1 . ARG 11 11 30869 1 . CYS 12 12 30869 1 . GLN 13 13 30869 1 . ARG 14 14 30869 1 . ARG 15 15 30869 1 . CYS 16 16 30869 1 . GLN 17 17 30869 1 . ILE 18 18 30869 1 . GLN 19 19 30869 1 . GLU 20 20 30869 1 . GLN 21 21 30869 1 . SER 22 22 30869 1 . PRO 23 23 30869 1 . GLU 24 24 30869 1 . ARG 25 25 30869 1 . GLN 26 26 30869 1 . ARG 27 27 30869 1 . GLN 28 28 30869 1 . CYS 29 29 30869 1 . GLN 30 30 30869 1 . GLN 31 31 30869 1 . ARG 32 32 30869 1 . CYS 33 33 30869 1 . GLU 34 34 30869 1 . ARG 35 35 30869 1 . GLN 36 36 30869 1 . TYR 37 37 30869 1 . LYS 38 38 30869 1 . GLU 39 39 30869 1 . GLN 40 40 30869 1 . GLN 41 41 30869 1 . GLY 42 42 30869 1 . ARG 43 43 30869 1 . GLU 44 44 30869 1 . ARG 45 45 30869 1 . GLY 46 46 30869 1 . PRO 47 47 30869 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 30869 _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 . 51240 organism . 'Juglans regia' 'English walnut' . . Eukaryota Viridiplantae Juglans regia . . . . . . . . . . . . . 30869 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 30869 _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 BL21' . . 511693 . . BL21 . . . . . . . . . 30869 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30869 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 uM Sodium trimethylsilylpropanesulfonate (DSS), 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 . . . 1 $entity_1 . . . . . uM . . . . 30869 1 2 'Sodium trimethylsilylpropanesulfonate (DSS)' 'natural abundance' . . . . . . 50 . . uM . . . . 30869 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30869 _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' 150 . mM 30869 1 pH 7.4 . pH 30869 1 pressure 1 . atm 30869 1 temperature 298.15 . K 30869 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30869 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30869 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30869 1 'peak picking' . 30869 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30869 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30869 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30869 2 'structure calculation' . 30869 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30869 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30869 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30869 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30869 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30869 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30869 4 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 30869 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30869 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30869 _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 Varian INOVA . 600 . . . 30869 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 30869 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 30869 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30869 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30869 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30869 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30869 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30869 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30869 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30869 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30869 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30869 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 30869 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'DSS chemical shift standard, added internally to sample' 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 . . . . . 30869 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30869 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30869 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 30869 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 30869 1 2 '3D 1H-13C NOESY' . . . 30869 1 3 '3D HNCACB' . . . 30869 1 4 '3D HNCO' . . . 30869 1 5 '3D CBCA(CO)NH' . . . 30869 1 6 '2D 1H-15N HSQC' . . . 30869 1 7 '2D 1H-13C HSQC' . . . 30869 1 8 '3D C(CO)NH' . . . 30869 1 9 '3D H(CCO)NH' . . . 30869 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 2 2 MET HA H 1 4.2520 0.0000 . 1 . . 1180 . A 2 MET HA . 30869 1 2 . 1 . 1 2 2 MET HB2 H 1 2.3060 0.0000 . 2 . . . . A 2 MET HB2 . 30869 1 3 . 1 . 1 2 2 MET HB3 H 1 2.3060 0.0000 . 2 . . 1201 . A 2 MET HB3 . 30869 1 4 . 1 . 1 2 2 MET CA C 13 56.8560 0.0000 . 1 . . . . A 2 MET CA . 30869 1 5 . 1 . 1 2 2 MET CB C 13 30.2210 0.0000 . 1 . . . . A 2 MET CB . 30869 1 6 . 1 . 1 3 3 GLN H H 1 8.3670 0.0000 . 1 . . . . A 3 GLN H . 30869 1 7 . 1 . 1 3 3 GLN HA H 1 4.3980 0.0000 . 1 . . 1123 . A 3 GLN HA . 30869 1 8 . 1 . 1 3 3 GLN HG2 H 1 2.3710 0.0000 . 2 . . 1132 . A 3 GLN HG2 . 30869 1 9 . 1 . 1 3 3 GLN CA C 13 55.7460 0.0000 . 1 . . . . A 3 GLN CA . 30869 1 10 . 1 . 1 3 3 GLN CB C 13 29.5760 0.0000 . 1 . . . . A 3 GLN CB . 30869 1 11 . 1 . 1 3 3 GLN CG C 13 33.9510 0.0000 . 1 . . 1549 . A 3 GLN CG . 30869 1 12 . 1 . 1 3 3 GLN N N 15 120.7850 0.0000 . 1 . . . . A 3 GLN N . 30869 1 13 . 1 . 1 4 4 ASP H H 1 8.4260 0.0000 . 1 . . . . A 4 ASP H . 30869 1 14 . 1 . 1 4 4 ASP HA H 1 4.9170 0.0000 . 1 . . . . A 4 ASP HA . 30869 1 15 . 1 . 1 4 4 ASP HB2 H 1 2.8200 0.0000 . 2 . . . . A 4 ASP HB2 . 30869 1 16 . 1 . 1 4 4 ASP CA C 13 52.7420 0.0000 . 1 . . . . A 4 ASP CA . 30869 1 17 . 1 . 1 4 4 ASP CB C 13 41.3880 0.0000 . 1 . . . . A 4 ASP CB . 30869 1 18 . 1 . 1 4 4 ASP N N 15 122.8870 0.0000 . 1 . . . . A 4 ASP N . 30869 1 19 . 1 . 1 5 5 PRO HA H 1 4.4120 0.0000 . 1 . . 1291 . A 5 PRO HA . 30869 1 20 . 1 . 1 5 5 PRO HB2 H 1 2.4530 0.0000 . 2 . . 1318 . A 5 PRO HB2 . 30869 1 21 . 1 . 1 5 5 PRO HG2 H 1 2.1200 0.0000 . 2 . . 1324 . A 5 PRO HG2 . 30869 1 22 . 1 . 1 5 5 PRO HD2 H 1 3.9910 0.0000 . 2 . . 1306 . A 5 PRO HD2 . 30869 1 23 . 1 . 1 5 5 PRO CA C 13 65.3060 0.0000 . 1 . . . . A 5 PRO CA . 30869 1 24 . 1 . 1 5 5 PRO CB C 13 32.1780 0.0000 . 1 . . . . A 5 PRO CB . 30869 1 25 . 1 . 1 5 5 PRO CG C 13 27.7640 0.0000 . 1 . . 1759 . A 5 PRO CG . 30869 1 26 . 1 . 1 5 5 PRO CD C 13 51.1410 0.0000 . 1 . . 1735 . A 5 PRO CD . 30869 1 27 . 1 . 1 6 6 GLN H H 1 8.5300 0.0000 . 1 . . . . A 6 GLN H . 30869 1 28 . 1 . 1 6 6 GLN HA H 1 4.2110 0.0000 . 1 . . 1300 . A 6 GLN HA . 30869 1 29 . 1 . 1 6 6 GLN HG2 H 1 2.3490 0.0000 . 2 . . 1252 . A 6 GLN HG2 . 30869 1 30 . 1 . 1 6 6 GLN CA C 13 59.0350 0.0000 . 1 . . . . A 6 GLN CA . 30869 1 31 . 1 . 1 6 6 GLN CB C 13 28.4500 0.0000 . 1 . . . . A 6 GLN CB . 30869 1 32 . 1 . 1 6 6 GLN CG C 13 34.5580 0.0000 . 1 . . 1672 . A 6 GLN CG . 30869 1 33 . 1 . 1 6 6 GLN N N 15 118.7580 0.0000 . 1 . . . . A 6 GLN N . 30869 1 34 . 1 . 1 7 7 GLN H H 1 8.0360 0.0000 . 1 . . . . A 7 GLN H . 30869 1 35 . 1 . 1 7 7 GLN HA H 1 4.1680 0.0000 . 1 . . 1297 . A 7 GLN HA . 30869 1 36 . 1 . 1 7 7 GLN HG2 H 1 2.4880 0.0000 . 2 . . . . A 7 GLN HG2 . 30869 1 37 . 1 . 1 7 7 GLN CA C 13 58.8080 0.0000 . 1 . . . . A 7 GLN CA . 30869 1 38 . 1 . 1 7 7 GLN CB C 13 28.6050 0.0000 . 1 . . . . A 7 GLN CB . 30869 1 39 . 1 . 1 7 7 GLN CG C 13 34.1340 0.0000 . 1 . . 1744 . A 7 GLN CG . 30869 1 40 . 1 . 1 7 7 GLN N N 15 119.3630 0.0000 . 1 . . . . A 7 GLN N . 30869 1 41 . 1 . 1 8 8 GLN H H 1 8.2620 0.0000 . 1 . . . . A 8 GLN H . 30869 1 42 . 1 . 1 8 8 GLN HA H 1 3.9830 0.0000 . 1 . . 1141 . A 8 GLN HA . 30869 1 43 . 1 . 1 8 8 GLN HG2 H 1 2.3710 0.0000 . 2 . . 1144 . A 8 GLN HG2 . 30869 1 44 . 1 . 1 8 8 GLN CA C 13 59.0050 0.0000 . 1 . . . . A 8 GLN CA . 30869 1 45 . 1 . 1 8 8 GLN CB C 13 28.4620 0.0000 . 1 . . . . A 8 GLN CB . 30869 1 46 . 1 . 1 8 8 GLN CG C 13 33.8370 0.0000 . 1 . . 1558 . A 8 GLN CG . 30869 1 47 . 1 . 1 8 8 GLN N N 15 118.8710 0.0000 . 1 . . . . A 8 GLN N . 30869 1 48 . 1 . 1 9 9 TYR H H 1 8.0680 0.0000 . 1 . . . . A 9 TYR H . 30869 1 49 . 1 . 1 9 9 TYR HB2 H 1 2.8109 0.0000 . 2 . . . . A 9 TYR HB2 . 30869 1 50 . 1 . 1 9 9 TYR HB3 H 1 2.7404 0.0000 . 2 . . . . A 9 TYR HB3 . 30869 1 51 . 1 . 1 9 9 TYR HD1 H 1 6.6000 0.0000 . 3 . . . . A 9 TYR HD1 . 30869 1 52 . 1 . 1 9 9 TYR HE1 H 1 6.5500 0.0000 . 3 . . . . A 9 TYR HE1 . 30869 1 53 . 1 . 1 9 9 TYR CA C 13 59.6420 0.0000 . 1 . . . . A 9 TYR CA . 30869 1 54 . 1 . 1 9 9 TYR CB C 13 37.8330 0.0000 . 1 . . . . A 9 TYR CB . 30869 1 55 . 1 . 1 9 9 TYR CD1 C 13 132.7000 0.0000 . 3 . . . . A 9 TYR CD1 . 30869 1 56 . 1 . 1 9 9 TYR CE1 C 13 116.8000 0.0000 . 3 . . . . A 9 TYR CE1 . 30869 1 57 . 1 . 1 9 9 TYR N N 15 122.2710 0.0000 . 1 . . . . A 9 TYR N . 30869 1 58 . 1 . 1 11 11 ARG HA H 1 3.9620 0.0000 . 1 . . 1186 . A 11 ARG HA . 30869 1 59 . 1 . 1 11 11 ARG HB2 H 1 1.8790 0.0000 . 2 . . 1204 . A 11 ARG HB2 . 30869 1 60 . 1 . 1 11 11 ARG HG2 H 1 1.6190 0.0000 . 2 . . 1207 . A 11 ARG HG2 . 30869 1 61 . 1 . 1 11 11 ARG HD2 H 1 3.2070 0.0000 . 2 . . 1189 . A 11 ARG HD2 . 30869 1 62 . 1 . 1 11 11 ARG CA C 13 59.7760 0.0000 . 1 . . . . A 11 ARG CA . 30869 1 63 . 1 . 1 11 11 ARG CB C 13 30.1620 0.0000 . 1 . . . . A 11 ARG CB . 30869 1 64 . 1 . 1 11 11 ARG CG C 13 27.9320 0.0000 . 1 . . 1615 . A 11 ARG CG . 30869 1 65 . 1 . 1 11 11 ARG CD C 13 43.6400 0.0000 . 1 . . 1597 . A 11 ARG CD . 30869 1 66 . 1 . 1 12 12 CYS H H 1 8.3170 0.0000 . 1 . . . . A 12 CYS H . 30869 1 67 . 1 . 1 12 12 CYS HA H 1 4.1810 0.0000 . 1 . . 1294 . A 12 CYS HA . 30869 1 68 . 1 . 1 12 12 CYS HB2 H 1 3.5770 0.0000 . 2 . . 1309 . A 12 CYS HB2 . 30869 1 69 . 1 . 1 12 12 CYS HB3 H 1 3.1300 0.0000 . 2 . . 1315 . A 12 CYS HB3 . 30869 1 70 . 1 . 1 12 12 CYS CA C 13 60.4740 0.0000 . 1 . . . . A 12 CYS CA . 30869 1 71 . 1 . 1 12 12 CYS CB C 13 36.5910 0.0000 . 1 . . . . A 12 CYS CB . 30869 1 72 . 1 . 1 12 12 CYS N N 15 121.2570 0.0000 . 1 . . . . A 12 CYS N . 30869 1 73 . 1 . 1 13 13 GLN H H 1 8.3840 0.0000 . 1 . . . . A 13 GLN H . 30869 1 74 . 1 . 1 13 13 GLN HA H 1 3.7480 0.0000 . 1 . . 1267 . A 13 GLN HA . 30869 1 75 . 1 . 1 13 13 GLN HB3 H 1 1.8900 0.0000 . 2 . . 1285 . A 13 GLN HB3 . 30869 1 76 . 1 . 1 13 13 GLN HG2 H 1 2.1360 0.0000 . 2 . . 1279 . A 13 GLN HG2 . 30869 1 77 . 1 . 1 13 13 GLN HG3 H 1 1.8900 0.0000 . 2 . . 1285 . A 13 GLN HG3 . 30869 1 78 . 1 . 1 13 13 GLN CA C 13 59.7670 0.0000 . 1 . . . . A 13 GLN CA . 30869 1 79 . 1 . 1 13 13 GLN CB C 13 29.1710 0.0000 . 1 . . . . A 13 GLN CB . 30869 1 80 . 1 . 1 13 13 GLN CG C 13 33.9710 0.0000 . 1 . . 1708 . A 13 GLN CG . 30869 1 81 . 1 . 1 13 13 GLN N N 15 118.7760 0.0000 . 1 . . . . A 13 GLN N . 30869 1 82 . 1 . 1 14 14 ARG H H 1 7.9030 0.0000 . 1 . . . . A 14 ARG H . 30869 1 83 . 1 . 1 14 14 ARG HA H 1 4.0000 0.0000 . 1 . . . . A 14 ARG HA . 30869 1 84 . 1 . 1 14 14 ARG HB2 H 1 1.8550 0.0000 . 2 . . 1255 . A 14 ARG HB2 . 30869 1 85 . 1 . 1 14 14 ARG HG2 H 1 1.6890 0.0000 . 2 . . . . A 14 ARG HG2 . 30869 1 86 . 1 . 1 14 14 ARG HD2 H 1 3.1740 0.0000 . 2 . . 1243 . A 14 ARG HD2 . 30869 1 87 . 1 . 1 14 14 ARG CA C 13 58.7990 0.0000 . 1 . . . . A 14 ARG CA . 30869 1 88 . 1 . 1 14 14 ARG CB C 13 29.5880 0.0000 . 1 . . . . A 14 ARG CB . 30869 1 89 . 1 . 1 14 14 ARG CG C 13 27.1080 0.0000 . 1 . . 1681 . A 14 ARG CG . 30869 1 90 . 1 . 1 14 14 ARG CD C 13 43.0720 0.0000 . 1 . . 1666 . A 14 ARG CD . 30869 1 91 . 1 . 1 14 14 ARG N N 15 119.2970 0.0000 . 1 . . . . A 14 ARG N . 30869 1 92 . 1 . 1 15 15 ARG H H 1 8.0080 0.0000 . 1 . . . . A 15 ARG H . 30869 1 93 . 1 . 1 15 15 ARG HA H 1 4.0400 0.0000 . 1 . . 1384 . A 15 ARG HA . 30869 1 94 . 1 . 1 15 15 ARG HB2 H 1 2.0080 0.0000 . 2 . . 1396 . A 15 ARG HB2 . 30869 1 95 . 1 . 1 15 15 ARG HG2 H 1 1.6970 0.0000 . 2 . . 1399 . A 15 ARG HG2 . 30869 1 96 . 1 . 1 15 15 ARG HD2 H 1 3.2180 0.0000 . 2 . . 1387 . A 15 ARG HD2 . 30869 1 97 . 1 . 1 15 15 ARG CA C 13 59.5720 0.0000 . 1 . . . . A 15 ARG CA . 30869 1 98 . 1 . 1 15 15 ARG CB C 13 29.3660 0.0000 . 1 . . . . A 15 ARG CB . 30869 1 99 . 1 . 1 15 15 ARG CG C 13 27.5650 0.0000 . 1 . . 1840 . A 15 ARG CG . 30869 1 100 . 1 . 1 15 15 ARG CD C 13 43.4450 0.0000 . 1 . . 1831 . A 15 ARG CD . 30869 1 101 . 1 . 1 15 15 ARG N N 15 119.5350 0.0000 . 1 . . . . A 15 ARG N . 30869 1 102 . 1 . 1 16 16 CYS H H 1 7.9820 0.0000 . 1 . . . . A 16 CYS H . 30869 1 103 . 1 . 1 16 16 CYS HA H 1 4.4730 0.0000 . 1 . . 1405 . A 16 CYS HA . 30869 1 104 . 1 . 1 16 16 CYS HB2 H 1 3.0530 0.0000 . 2 . . 1411 . A 16 CYS HB2 . 30869 1 105 . 1 . 1 16 16 CYS HB3 H 1 3.2870 0.0000 . 2 . . 1408 . A 16 CYS HB3 . 30869 1 106 . 1 . 1 16 16 CYS CA C 13 57.1030 0.0000 . 1 . . . . A 16 CYS CA . 30869 1 107 . 1 . 1 16 16 CYS CB C 13 37.2130 0.0000 . 1 . . . . A 16 CYS CB . 30869 1 108 . 1 . 1 16 16 CYS N N 15 116.4140 0.0000 . 1 . . . . A 16 CYS N . 30869 1 109 . 1 . 1 17 17 GLN H H 1 7.5220 0.0000 . 1 . . . . A 17 GLN H . 30869 1 110 . 1 . 1 17 17 GLN HA H 1 4.0660 0.0000 . 1 . . 1420 . A 17 GLN HA . 30869 1 111 . 1 . 1 17 17 GLN HG2 H 1 2.4200 0.0000 . 2 . . 1423 . A 17 GLN HG2 . 30869 1 112 . 1 . 1 17 17 GLN CA C 13 57.9480 0.0000 . 1 . . . . A 17 GLN CA . 30869 1 113 . 1 . 1 17 17 GLN CB C 13 28.7960 0.0000 . 1 . . . . A 17 GLN CB . 30869 1 114 . 1 . 1 17 17 GLN CG C 13 34.0920 0.0000 . 1 . . 1861 . A 17 GLN CG . 30869 1 115 . 1 . 1 17 17 GLN N N 15 116.0410 0.0000 . 1 . . . . A 17 GLN N . 30869 1 116 . 1 . 1 18 18 ILE H H 1 7.5470 0.0000 . 1 . . . . A 18 ILE H . 30869 1 117 . 1 . 1 18 18 ILE HA H 1 4.1180 0.0000 . 1 . . . . A 18 ILE HA . 30869 1 118 . 1 . 1 18 18 ILE HB H 1 1.9300 0.0000 . 1 . . 1348 . A 18 ILE HB . 30869 1 119 . 1 . 1 18 18 ILE HG12 H 1 1.2850 0.0000 . 2 . . 1354 . A 18 ILE HG12 . 30869 1 120 . 1 . 1 18 18 ILE HG13 H 1 1.5690 0.0000 . 2 . . 1351 . A 18 ILE HG13 . 30869 1 121 . 1 . 1 18 18 ILE HG21 H 1 0.9100 0.0000 . 1 . . 1357 . A 18 ILE HG21 . 30869 1 122 . 1 . 1 18 18 ILE HG22 H 1 0.9100 0.0000 . 1 . . 1357 . A 18 ILE HG22 . 30869 1 123 . 1 . 1 18 18 ILE HG23 H 1 0.9100 0.0000 . 1 . . 1357 . A 18 ILE HG23 . 30869 1 124 . 1 . 1 18 18 ILE HD11 H 1 0.8230 0.0000 . 1 . . 1357 . A 18 ILE HD11 . 30869 1 125 . 1 . 1 18 18 ILE HD12 H 1 0.8230 0.0000 . 1 . . 1357 . A 18 ILE HD12 . 30869 1 126 . 1 . 1 18 18 ILE HD13 H 1 0.8230 0.0000 . 1 . . 1357 . A 18 ILE HD13 . 30869 1 127 . 1 . 1 18 18 ILE CA C 13 62.4070 0.0000 . 1 . . . . A 18 ILE CA . 30869 1 128 . 1 . 1 18 18 ILE CB C 13 39.1630 0.0000 . 1 . . . . A 18 ILE CB . 30869 1 129 . 1 . 1 18 18 ILE CG1 C 13 27.9390 0.0000 . 1 . . 1792 . A 18 ILE CG1 . 30869 1 130 . 1 . 1 18 18 ILE CG2 C 13 17.3490 0.0000 . 1 . . 1798 . A 18 ILE CG2 . 30869 1 131 . 1 . 1 18 18 ILE CD1 C 13 13.1440 0.0000 . 1 . . . . A 18 ILE CD1 . 30869 1 132 . 1 . 1 18 18 ILE N N 15 115.6750 0.0000 . 1 . . . . A 18 ILE N . 30869 1 133 . 1 . 1 19 19 GLN H H 1 8.2760 0.0000 . 1 . . . . A 19 GLN H . 30869 1 134 . 1 . 1 19 19 GLN HA H 1 4.2080 0.0000 . 1 . . 1381 . A 19 GLN HA . 30869 1 135 . 1 . 1 19 19 GLN HG2 H 1 2.4440 0.0000 . 2 . . 1390 . A 19 GLN HG2 . 30869 1 136 . 1 . 1 19 19 GLN CA C 13 57.5160 0.0000 . 1 . . . . A 19 GLN CA . 30869 1 137 . 1 . 1 19 19 GLN CB C 13 30.2030 0.0000 . 1 . . . . A 19 GLN CB . 30869 1 138 . 1 . 1 19 19 GLN CG C 13 34.4920 0.0000 . 1 . . 1834 . A 19 GLN CG . 30869 1 139 . 1 . 1 19 19 GLN N N 15 117.9000 0.0000 . 1 . . . . A 19 GLN N . 30869 1 140 . 1 . 1 20 20 GLU H H 1 7.6330 0.0000 . 1 . . . . A 20 GLU H . 30869 1 141 . 1 . 1 20 20 GLU HA H 1 4.7890 0.0000 . 1 . . 1219 . A 20 GLU HA . 30869 1 142 . 1 . 1 20 20 GLU HG2 H 1 2.2550 0.0000 . 2 . . 1234 . A 20 GLU HG2 . 30869 1 143 . 1 . 1 20 20 GLU CA C 13 54.5740 0.0000 . 1 . . . . A 20 GLU CA . 30869 1 144 . 1 . 1 20 20 GLU CB C 13 29.8530 0.0000 . 1 . . . . A 20 GLU CB . 30869 1 145 . 1 . 1 20 20 GLU CG C 13 34.5580 0.0000 . 1 . . 1654 . A 20 GLU CG . 30869 1 146 . 1 . 1 20 20 GLU N N 15 116.3400 0.0000 . 1 . . . . A 20 GLU N . 30869 1 147 . 1 . 1 21 21 GLN H H 1 8.5250 0.0000 . 1 . . . . A 21 GLN H . 30869 1 148 . 1 . 1 21 21 GLN HA H 1 4.4180 0.0000 . 1 . . 1402 . A 21 GLN HA . 30869 1 149 . 1 . 1 21 21 GLN HG2 H 1 2.3850 0.0000 . 2 . . 1417 . A 21 GLN HG2 . 30869 1 150 . 1 . 1 21 21 GLN CA C 13 56.3970 0.0000 . 1 . . . . A 21 GLN CA . 30869 1 151 . 1 . 1 21 21 GLN CB C 13 30.2880 0.0000 . 1 . . . . A 21 GLN CB . 30869 1 152 . 1 . 1 21 21 GLN CG C 13 34.0060 0.0000 . 1 . . 1852 . A 21 GLN CG . 30869 1 153 . 1 . 1 21 21 GLN N N 15 120.1990 0.0000 . 1 . . . . A 21 GLN N . 30869 1 154 . 1 . 1 22 22 SER H H 1 8.3060 0.0000 . 1 . . . . A 22 SER H . 30869 1 155 . 1 . 1 22 22 SER HA H 1 4.9154 0.0000 . 1 . . . . A 22 SER HA . 30869 1 156 . 1 . 1 22 22 SER HB2 H 1 4.2300 0.0000 . 2 . . . . A 22 SER HB2 . 30869 1 157 . 1 . 1 22 22 SER HB3 H 1 3.9900 0.0000 . 2 . . . . A 22 SER HB3 . 30869 1 158 . 1 . 1 22 22 SER CA C 13 55.5250 0.0000 . 1 . . . . A 22 SER CA . 30869 1 159 . 1 . 1 22 22 SER CB C 13 63.5790 0.0000 . 1 . . . . A 22 SER CB . 30869 1 160 . 1 . 1 22 22 SER N N 15 116.1690 0.0000 . 1 . . . . A 22 SER N . 30869 1 161 . 1 . 1 23 23 PRO HA H 1 4.2700 0.0000 . 1 . . 1339 . A 23 PRO HA . 30869 1 162 . 1 . 1 23 23 PRO HB2 H 1 2.4120 0.0000 . 2 . . . . A 23 PRO HB2 . 30869 1 163 . 1 . 1 23 23 PRO HG2 H 1 2.0660 0.0000 . 2 . . 1345 . A 23 PRO HG2 . 30869 1 164 . 1 . 1 23 23 PRO HD2 H 1 4.0140 0.0000 . 2 . . 1342 . A 23 PRO HD2 . 30869 1 165 . 1 . 1 23 23 PRO CA C 13 65.7300 0.0000 . 1 . . . . A 23 PRO CA . 30869 1 166 . 1 . 1 23 23 PRO CB C 13 32.0980 0.0000 . 1 . . . . A 23 PRO CB . 30869 1 167 . 1 . 1 23 23 PRO CG C 13 27.7710 0.0000 . 1 . . 1795 . A 23 PRO CG . 30869 1 168 . 1 . 1 23 23 PRO CD C 13 50.9360 0.0000 . 1 . . 1783 . A 23 PRO CD . 30869 1 169 . 1 . 1 24 24 GLU H H 1 8.7660 0.0000 . 1 . . . . A 24 GLU H . 30869 1 170 . 1 . 1 24 24 GLU HA H 1 4.1380 0.0000 . 1 . . 1261 . A 24 GLU HA . 30869 1 171 . 1 . 1 24 24 GLU HG2 H 1 2.3080 0.0000 . 2 . . 1276 . A 24 GLU HG2 . 30869 1 172 . 1 . 1 24 24 GLU CA C 13 59.7700 0.0000 . 1 . . . . A 24 GLU CA . 30869 1 173 . 1 . 1 24 24 GLU CB C 13 29.0160 0.0000 . 1 . . . . A 24 GLU CB . 30869 1 174 . 1 . 1 24 24 GLU CG C 13 36.1580 0.0000 . 1 . . 1705 . A 24 GLU CG . 30869 1 175 . 1 . 1 24 24 GLU N N 15 117.8260 0.0000 . 1 . . . . A 24 GLU N . 30869 1 176 . 1 . 1 25 25 ARG H H 1 7.4890 0.0000 . 1 . . . . A 25 ARG H . 30869 1 177 . 1 . 1 25 25 ARG HA H 1 4.0990 0.0000 . 1 . . 1150 . A 25 ARG HA . 30869 1 178 . 1 . 1 25 25 ARG HB2 H 1 1.9350 0.0000 . 2 . . 1156 . A 25 ARG HB2 . 30869 1 179 . 1 . 1 25 25 ARG HG2 H 1 1.6740 0.0000 . 2 . . . . A 25 ARG HG2 . 30869 1 180 . 1 . 1 25 25 ARG HD2 H 1 3.3060 0.0000 . 2 . . 1153 . A 25 ARG HD2 . 30869 1 181 . 1 . 1 25 25 ARG CA C 13 58.8350 0.0000 . 1 . . . . A 25 ARG CA . 30869 1 182 . 1 . 1 25 25 ARG CB C 13 29.8470 0.0000 . 1 . . . . A 25 ARG CB . 30869 1 183 . 1 . 1 25 25 ARG CG C 13 28.1670 0.0000 . 1 . . 1573 . A 25 ARG CG . 30869 1 184 . 1 . 1 25 25 ARG CD C 13 42.6270 0.0000 . 1 . . 1567 . A 25 ARG CD . 30869 1 185 . 1 . 1 25 25 ARG N N 15 119.1660 0.0000 . 1 . . . . A 25 ARG N . 30869 1 186 . 1 . 1 26 26 GLN H H 1 8.8000 0.0000 . 1 . . . . A 26 GLN H . 30869 1 187 . 1 . 1 26 26 GLN HA H 1 3.7550 0.0000 . 1 . . 1240 . A 26 GLN HA . 30869 1 188 . 1 . 1 26 26 GLN HG2 H 1 2.3690 0.0000 . 2 . . 1249 . A 26 GLN HG2 . 30869 1 189 . 1 . 1 26 26 GLN CA C 13 60.4160 0.0000 . 1 . . . . A 26 GLN CA . 30869 1 190 . 1 . 1 26 26 GLN CB C 13 28.5320 0.0000 . 1 . . . . A 26 GLN CB . 30869 1 191 . 1 . 1 26 26 GLN CG C 13 34.5520 0.0000 . 1 . . 1669 . A 26 GLN CG . 30869 1 192 . 1 . 1 26 26 GLN N N 15 121.9510 0.0000 . 1 . . . . A 26 GLN N . 30869 1 193 . 1 . 1 27 27 ARG H H 1 8.1530 0.0000 . 1 . . . . A 27 ARG H . 30869 1 194 . 1 . 1 27 27 ARG HA H 1 4.1330 0.0000 . 1 . . . . A 27 ARG HA . 30869 1 195 . 1 . 1 27 27 ARG HB2 H 1 1.9560 0.0000 . 2 . . 1327 . A 27 ARG HB2 . 30869 1 196 . 1 . 1 27 27 ARG HG2 H 1 1.6290 0.0000 . 2 . . 1330 . A 27 ARG HG2 . 30869 1 197 . 1 . 1 27 27 ARG HD2 H 1 3.2500 0.0000 . 2 . . 1312 . A 27 ARG HD2 . 30869 1 198 . 1 . 1 27 27 ARG CA C 13 59.6050 0.0000 . 1 . . . . A 27 ARG CA . 30869 1 199 . 1 . 1 27 27 ARG CB C 13 29.8740 0.0000 . 1 . . . . A 27 ARG CB . 30869 1 200 . 1 . 1 27 27 ARG CG C 13 27.5160 0.0000 . 1 . . 1762 . A 27 ARG CG . 30869 1 201 . 1 . 1 27 27 ARG CD C 13 43.3820 0.0000 . 1 . . 1738 . A 27 ARG CD . 30869 1 202 . 1 . 1 27 27 ARG N N 15 119.4250 0.0000 . 1 . . . . A 27 ARG N . 30869 1 203 . 1 . 1 28 28 GLN H H 1 7.8620 0.0000 . 1 . . . . A 28 GLN H . 30869 1 204 . 1 . 1 28 28 GLN HA H 1 4.0940 0.0000 . 1 . . 1210 . A 28 GLN HA . 30869 1 205 . 1 . 1 28 28 GLN HG2 H 1 2.4870 0.0000 . 2 . . 1216 . A 28 GLN HG2 . 30869 1 206 . 1 . 1 28 28 GLN CA C 13 59.1360 0.0000 . 1 . . . . A 28 GLN CA . 30869 1 207 . 1 . 1 28 28 GLN CB C 13 28.5090 0.0000 . 1 . . . . A 28 GLN CB . 30869 1 208 . 1 . 1 28 28 GLN CG C 13 33.9560 0.0000 . 1 . . 1630 . A 28 GLN CG . 30869 1 209 . 1 . 1 28 28 GLN N N 15 118.7410 0.0000 . 1 . . . . A 28 GLN N . 30869 1 210 . 1 . 1 29 29 CYS H H 1 8.1100 0.0000 . 1 . . . . A 29 CYS H . 30869 1 211 . 1 . 1 29 29 CYS HA H 1 4.2720 0.0000 . 1 . . . . A 29 CYS HA . 30869 1 212 . 1 . 1 29 29 CYS HB2 H 1 3.1120 0.0000 . 2 . . 1171 . A 29 CYS HB2 . 30869 1 213 . 1 . 1 29 29 CYS CA C 13 60.4050 0.0000 . 1 . . . . A 29 CYS CA . 30869 1 214 . 1 . 1 29 29 CYS CB C 13 35.2330 0.0000 . 1 . . . . A 29 CYS CB . 30869 1 215 . 1 . 1 29 29 CYS N N 15 120.6370 0.0000 . 1 . . . . A 29 CYS N . 30869 1 216 . 1 . 1 30 30 GLN H H 1 8.6140 0.0000 . 1 . . . . A 30 GLN H . 30869 1 217 . 1 . 1 30 30 GLN HA H 1 3.8330 0.0000 . 1 . . 1237 . A 30 GLN HA . 30869 1 218 . 1 . 1 30 30 GLN HG2 H 1 2.5130 0.0000 . 2 . . 1246 . A 30 GLN HG2 . 30869 1 219 . 1 . 1 30 30 GLN CA C 13 59.7860 0.0000 . 1 . . . . A 30 GLN CA . 30869 1 220 . 1 . 1 30 30 GLN CB C 13 27.7070 0.0000 . 1 . . . . A 30 GLN CB . 30869 1 221 . 1 . 1 30 30 GLN CG C 13 34.2020 0.0000 . 1 . . 1675 . A 30 GLN CG . 30869 1 222 . 1 . 1 30 30 GLN N N 15 121.3500 0.0000 . 1 . . . . A 30 GLN N . 30869 1 223 . 1 . 1 31 31 GLN H H 1 8.4150 0.0000 . 1 . . . . A 31 GLN H . 30869 1 224 . 1 . 1 31 31 GLN HA H 1 4.1820 0.0000 . 1 . . 1183 . A 31 GLN HA . 30869 1 225 . 1 . 1 31 31 GLN HG2 H 1 2.5690 0.0000 . 2 . . 1195 . A 31 GLN HG2 . 30869 1 226 . 1 . 1 31 31 GLN CA C 13 59.1290 0.0000 . 1 . . . . A 31 GLN CA . 30869 1 227 . 1 . 1 31 31 GLN CB C 13 28.4030 0.0000 . 1 . . . . A 31 GLN CB . 30869 1 228 . 1 . 1 31 31 GLN CG C 13 34.5360 0.0000 . 1 . . 1600 . A 31 GLN CG . 30869 1 229 . 1 . 1 31 31 GLN N N 15 119.6820 0.0000 . 1 . . . . A 31 GLN N . 30869 1 230 . 1 . 1 32 32 ARG H H 1 7.8680 0.0000 . 1 . . . . A 32 ARG H . 30869 1 231 . 1 . 1 32 32 ARG HA H 1 4.1610 0.0000 . 1 . . 1360 . A 32 ARG HA . 30869 1 232 . 1 . 1 32 32 ARG HB2 H 1 2.1060 0.0000 . 2 . . 1372 . A 32 ARG HB2 . 30869 1 233 . 1 . 1 32 32 ARG HG2 H 1 1.6230 0.0000 . 2 . . 1378 . A 32 ARG HG2 . 30869 1 234 . 1 . 1 32 32 ARG HD2 H 1 3.2720 0.0000 . 2 . . 1366 . A 32 ARG HD2 . 30869 1 235 . 1 . 1 32 32 ARG CA C 13 60.0960 0.0000 . 1 . . . . A 32 ARG CA . 30869 1 236 . 1 . 1 32 32 ARG CB C 13 29.4140 0.0000 . 1 . . . . A 32 ARG CB . 30869 1 237 . 1 . 1 32 32 ARG CG C 13 27.9970 0.0000 . 1 . . 1819 . A 32 ARG CG . 30869 1 238 . 1 . 1 32 32 ARG CD C 13 43.5340 0.0000 . 1 . . 1807 . A 32 ARG CD . 30869 1 239 . 1 . 1 32 32 ARG N N 15 121.1450 0.0000 . 1 . . . . A 32 ARG N . 30869 1 240 . 1 . 1 33 33 CYS H H 1 8.1530 0.0000 . 1 . . . . A 33 CYS H . 30869 1 241 . 1 . 1 33 33 CYS HA H 1 4.5720 0.0000 . 1 . . 1159 . A 33 CYS HA . 30869 1 242 . 1 . 1 33 33 CYS HB2 H 1 3.2110 0.0000 . 2 . . 1168 . A 33 CYS HB2 . 30869 1 243 . 1 . 1 33 33 CYS CA C 13 57.1140 0.0000 . 1 . . . . A 33 CYS CA . 30869 1 244 . 1 . 1 33 33 CYS CB C 13 36.6000 0.0000 . 1 . . . . A 33 CYS CB . 30869 1 245 . 1 . 1 33 33 CYS N N 15 117.5720 0.0000 . 1 . . . . A 33 CYS N . 30869 1 246 . 1 . 1 34 34 GLU H H 1 8.5410 0.0000 . 1 . . . . A 34 GLU H . 30869 1 247 . 1 . 1 34 34 GLU HA H 1 4.0440 0.0000 . 1 . . 1222 . A 34 GLU HA . 30869 1 248 . 1 . 1 34 34 GLU HG2 H 1 2.4330 0.0000 . 2 . . 1231 . A 34 GLU HG2 . 30869 1 249 . 1 . 1 34 34 GLU CA C 13 59.9870 0.0000 . 1 . . . . A 34 GLU CA . 30869 1 250 . 1 . 1 34 34 GLU CB C 13 29.7350 0.0000 . 1 . . . . A 34 GLU CB . 30869 1 251 . 1 . 1 34 34 GLU CG C 13 36.3720 0.0000 . 1 . . 1651 . A 34 GLU CG . 30869 1 252 . 1 . 1 34 34 GLU N N 15 121.6570 0.0000 . 1 . . . . A 34 GLU N . 30869 1 253 . 1 . 1 35 35 ARG H H 1 8.2810 0.0000 . 1 . . . . A 35 ARG H . 30869 1 254 . 1 . 1 35 35 ARG HA H 1 4.0780 0.0000 . 1 . . 1363 . A 35 ARG HA . 30869 1 255 . 1 . 1 35 35 ARG HB2 H 1 1.9790 0.0000 . 2 . . 1375 . A 35 ARG HB2 . 30869 1 256 . 1 . 1 35 35 ARG HG2 H 1 1.6900 0.0000 . 2 . . . . A 35 ARG HG2 . 30869 1 257 . 1 . 1 35 35 ARG HD2 H 1 3.2400 0.0000 . 2 . . 1369 . A 35 ARG HD2 . 30869 1 258 . 1 . 1 35 35 ARG CA C 13 59.4450 0.0000 . 1 . . . . A 35 ARG CA . 30869 1 259 . 1 . 1 35 35 ARG CB C 13 30.0570 0.0000 . 1 . . . . A 35 ARG CB . 30869 1 260 . 1 . 1 35 35 ARG CG C 13 27.3790 0.0000 . 1 . . 1822 . A 35 ARG CG . 30869 1 261 . 1 . 1 35 35 ARG CD C 13 43.4920 0.0000 . 1 . . 1810 . A 35 ARG CD . 30869 1 262 . 1 . 1 35 35 ARG N N 15 119.9770 0.0000 . 1 . . . . A 35 ARG N . 30869 1 263 . 1 . 1 36 36 GLN H H 1 8.1100 0.0000 . 1 . . . . A 36 GLN H . 30869 1 264 . 1 . 1 36 36 GLN HA H 1 4.1060 0.0000 . 1 . . 1303 . A 36 GLN HA . 30869 1 265 . 1 . 1 36 36 GLN HG2 H 1 2.4300 0.0000 . 2 . . 1321 . A 36 GLN HG2 . 30869 1 266 . 1 . 1 36 36 GLN CA C 13 58.6610 0.0000 . 1 . . . . A 36 GLN CA . 30869 1 267 . 1 . 1 36 36 GLN CB C 13 28.9840 0.0000 . 1 . . . . A 36 GLN CB . 30869 1 268 . 1 . 1 36 36 GLN CG C 13 34.2860 0.0000 . 1 . . 1750 . A 36 GLN CG . 30869 1 269 . 1 . 1 36 36 GLN N N 15 117.4550 0.0000 . 1 . . . . A 36 GLN N . 30869 1 270 . 1 . 1 37 37 TYR H H 1 7.8230 0.0000 . 1 . . . . A 37 TYR H . 30869 1 271 . 1 . 1 37 37 TYR HA H 1 4.6840 0.0000 . 1 . . 1258 . A 37 TYR HA . 30869 1 272 . 1 . 1 37 37 TYR HB2 H 1 2.8890 0.0000 . 2 . . 1270 . A 37 TYR HB2 . 30869 1 273 . 1 . 1 37 37 TYR HD1 H 1 6.8400 0.0000 . 3 . . . . A 37 TYR HD1 . 30869 1 274 . 1 . 1 37 37 TYR HE1 H 1 6.5500 0.0000 . 3 . . . . A 37 TYR HE1 . 30869 1 275 . 1 . 1 37 37 TYR CA C 13 59.3630 0.0000 . 1 . . . . A 37 TYR CA . 30869 1 276 . 1 . 1 37 37 TYR CB C 13 38.9440 0.0000 . 1 . . . . A 37 TYR CB . 30869 1 277 . 1 . 1 37 37 TYR CD1 C 13 132.0000 0.0000 . 3 . . . . A 37 TYR CD1 . 30869 1 278 . 1 . 1 37 37 TYR CE1 C 13 116.8000 0.0000 . 3 . . . . A 37 TYR CE1 . 30869 1 279 . 1 . 1 37 37 TYR N N 15 118.8100 0.0000 . 1 . . . . A 37 TYR N . 30869 1 280 . 1 . 1 38 38 LYS H H 1 8.1330 0.0000 . 1 . . . . A 38 LYS H . 30869 1 281 . 1 . 1 38 38 LYS HA H 1 3.8690 0.0000 . 1 . . 1264 . A 38 LYS HA . 30869 1 282 . 1 . 1 38 38 LYS HB2 H 1 1.8540 0.0000 . 2 . . 1282 . A 38 LYS HB2 . 30869 1 283 . 1 . 1 38 38 LYS HG2 H 1 1.3820 0.0000 . 2 . . . . A 38 LYS HG2 . 30869 1 284 . 1 . 1 38 38 LYS HD2 H 1 1.8540 0.0000 . 2 . . 1282 . A 38 LYS HD2 . 30869 1 285 . 1 . 1 38 38 LYS HE2 H 1 2.8890 0.0000 . 2 . . 1270 . A 38 LYS HE2 . 30869 1 286 . 1 . 1 38 38 LYS CA C 13 58.7130 0.0000 . 1 . . . . A 38 LYS CA . 30869 1 287 . 1 . 1 38 38 LYS CB C 13 32.4530 0.0000 . 1 . . . . A 38 LYS CB . 30869 1 288 . 1 . 1 38 38 LYS CG C 13 25.3690 0.0000 . 1 . . 1717 . A 38 LYS CG . 30869 1 289 . 1 . 1 38 38 LYS CD C 13 29.1470 0.0000 . 1 . . . . A 38 LYS CD . 30869 1 290 . 1 . 1 38 38 LYS CE C 13 42.0660 0.0000 . 1 . . 1693 . A 38 LYS CE . 30869 1 291 . 1 . 1 38 38 LYS N N 15 119.2530 0.0000 . 1 . . . . A 38 LYS N . 30869 1 292 . 1 . 1 39 39 GLU H H 1 8.1130 0.0000 . 1 . . . . A 39 GLU H . 30869 1 293 . 1 . 1 39 39 GLU HA H 1 4.1160 0.0000 . 1 . . 1333 . A 39 GLU HA . 30869 1 294 . 1 . 1 39 39 GLU HG2 H 1 2.3450 0.0000 . 2 . . 1336 . A 39 GLU HG2 . 30869 1 295 . 1 . 1 39 39 GLU CA C 13 58.2370 0.0000 . 1 . . . . A 39 GLU CA . 30869 1 296 . 1 . 1 39 39 GLU CB C 13 29.7930 0.0000 . 1 . . . . A 39 GLU CB . 30869 1 297 . 1 . 1 39 39 GLU CG C 13 36.5460 0.0000 . 1 . . 1768 . A 39 GLU CG . 30869 1 298 . 1 . 1 39 39 GLU N N 15 119.0980 0.0000 . 1 . . . . A 39 GLU N . 30869 1 299 . 1 . 1 40 40 GLN H H 1 7.9790 0.0000 . 1 . . . . A 40 GLN H . 30869 1 300 . 1 . 1 40 40 GLN HA H 1 4.2110 0.0000 . 1 . . 1300 . A 40 GLN HA . 30869 1 301 . 1 . 1 40 40 GLN HG2 H 1 2.5000 0.0000 . 2 . . . . A 40 GLN HG2 . 30869 1 302 . 1 . 1 40 40 GLN CA C 13 56.9690 0.0000 . 1 . . . . A 40 GLN CA . 30869 1 303 . 1 . 1 40 40 GLN CB C 13 29.0410 0.0000 . 1 . . . . A 40 GLN CB . 30869 1 304 . 1 . 1 40 40 GLN CG C 13 34.0750 0.0000 . 1 . . 1747 . A 40 GLN CG . 30869 1 305 . 1 . 1 40 40 GLN N N 15 118.2940 0.0000 . 1 . . . . A 40 GLN N . 30869 1 306 . 1 . 1 41 41 GLN H H 1 8.0150 0.0000 . 1 . . . . A 41 GLN H . 30869 1 307 . 1 . 1 41 41 GLN HA H 1 4.1910 0.0000 . 1 . . 1519 . A 41 GLN HA . 30869 1 308 . 1 . 1 41 41 GLN HG2 H 1 2.2070 0.0000 . 2 . . 1522 . A 41 GLN HG2 . 30869 1 309 . 1 . 1 41 41 GLN CA C 13 56.6640 0.0000 . 1 . . . . A 41 GLN CA . 30869 1 310 . 1 . 1 41 41 GLN CB C 13 29.4730 0.0000 . 1 . . . . A 41 GLN CB . 30869 1 311 . 1 . 1 41 41 GLN CG C 13 33.8570 0.0000 . 1 . . 1975 . A 41 GLN CG . 30869 1 312 . 1 . 1 41 41 GLN N N 15 118.9930 0.0000 . 1 . . . . A 41 GLN N . 30869 1 313 . 1 . 1 42 42 GLY H H 1 8.1990 0.0000 . 1 . . . . A 42 GLY H . 30869 1 314 . 1 . 1 42 42 GLY HA3 H 1 3.8980 0.0000 . 2 . . . . A 42 GLY HA3 . 30869 1 315 . 1 . 1 42 42 GLY CA C 13 45.6340 0.0000 . 1 . . . . A 42 GLY CA . 30869 1 316 . 1 . 1 42 42 GLY N N 15 108.7190 0.0000 . 1 . . . . A 42 GLY N . 30869 1 317 . 1 . 1 43 43 ARG H H 1 7.9690 0.0000 . 1 . . . . A 43 ARG H . 30869 1 318 . 1 . 1 43 43 ARG HA H 1 4.4110 0.0000 . 1 . . 1099 . A 43 ARG HA . 30869 1 319 . 1 . 1 43 43 ARG HB2 H 1 1.8580 0.0000 . 2 . . . . A 43 ARG HB2 . 30869 1 320 . 1 . 1 43 43 ARG HG2 H 1 1.6530 0.0000 . 2 . . 1117 . A 43 ARG HG2 . 30869 1 321 . 1 . 1 43 43 ARG HD2 H 1 3.1870 0.0000 . 2 . . 1102 . A 43 ARG HD2 . 30869 1 322 . 1 . 1 43 43 ARG CA C 13 55.9720 0.0000 . 1 . . . . A 43 ARG CA . 30869 1 323 . 1 . 1 43 43 ARG CB C 13 31.1690 0.0000 . 1 . . . . A 43 ARG CB . 30869 1 324 . 1 . 1 43 43 ARG CG C 13 27.0110 0.0000 . 1 . . 1543 . A 43 ARG CG . 30869 1 325 . 1 . 1 43 43 ARG CD C 13 43.4050 0.0000 . 1 . . 1531 . A 43 ARG CD . 30869 1 326 . 1 . 1 43 43 ARG N N 15 120.1550 0.0000 . 1 . . . . A 43 ARG N . 30869 1 327 . 1 . 1 44 44 GLU H H 1 8.0550 0.0000 . 1 . . . . A 44 GLU H . 30869 1 328 . 1 . 1 44 44 GLU CA C 13 58.1930 0.0000 . 1 . . . . A 44 GLU CA . 30869 1 329 . 1 . 1 44 44 GLU N N 15 126.7560 0.0000 . 1 . . . . A 44 GLU N . 30869 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 30869 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details '1H-13C HSQC. Aliphatic region' _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; label dataset sw sf 1H C13 Chsqc_2.nv 11160.7138672 14080.4697266 799.963989258 201.156997681 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 flag8 flag9 0 {} 4.25607 0.03189 0.05014 ++ {0.0} {} {} 65.67886 0.50464 0.78965 ++ {0.0} {} 0.0 0.7425 0 {} 0 0 0 1 {} 4.39717 0.03115 0.04773 ++ {0.0} {} {} 65.26545 0.51208 0.82244 ++ {0.0} {} 0.0 0.8071 0 {} 0 0 0 2 {} 4.21581 0.03144 0.04166 ++ {0.0} {} {} 63.55551 0.63076 0.79220 ++ {0.0} {} 0.0 0.4899 0 {} 0 0 0 3 {} 3.95982 0.03974 0.05031 ++ {0.0} {} {} 63.55039 0.64642 0.80942 ++ {0.0} {} 0.0 0.4915 0 {} 0 0 0 4 {} 3.75253 0.02879 0.02883 ++ {0.0} {} {} 63.40652 0.69609 0.31323 ++ {0.0} {} 0.0 0.1821 0 {} 0 0 0 5 {} 3.71493 0.02855 0.00807 ++ {0.0} {} {} 63.43902 0.69981 0.05291 ++ {0.0} {} 0.0 0.1617 0 {} 0 0 0 6 {} 4.07611 0.03963 0.05500 ++ {0.0} {} {} 62.32394 0.66997 0.92095 ++ {0.0} {} 0.0 0.6006 0 {} 0 0 0 7 {} 4.96641 0.00823 0.00426 ++ {0.0} {} {} 61.51801 0.63660 0.96823 ++ {0.0} {} 0.0 0.2073 0 {} 0 0 0 8 {} 4.96409 0.00908 0.00575 ++ {0.0} {} {} 61.06212 1.35171 0.94515 ++ {0.0} {} 0.0 0.2121 0 {} 0 0 0 9 {} 4.97702 0.00959 0.00780 ++ {0.0} {} {} 60.96243 0.62150 1.11862 ++ {0.0} {} 0.0 -0.2402 0 {} 0 0 0 10 {} 4.97412 0.00953 0.00786 ++ {0.0} {} {} 60.52794 1.25294 1.02682 ++ {0.0} {} 0.0 -0.2433 0 {} 0 0 0 11 {} 4.21835 0.03687 0.05200 ++ {0.0} {} {} 60.34037 0.54743 0.76890 ++ {0.0} {} 0.0 0.5422 0 {} 0 0 0 12 {} 3.73314 0.03542 0.05595 ++ {0.0} {} {} 60.23779 0.73152 1.03995 ++ {0.0} {} 0.0 0.7164 0 {} 0 0 0 13 {} 4.97060 0.00971 0.00791 ++ {0.0} {} {} 60.12527 1.05264 0.86592 ++ {0.0} {} 0.0 -0.2408 0 {} 0 0 0 14 {} 4.11360 0.03571 0.08284 ++ {0.0} {} {} 59.65200 0.74439 1.51509 ++ {0.0} {} 0.0 1.5326 0 {} 0 0 0 15 {} 3.94747 0.03780 0.09367 ++ {0.0} {} {} 59.73561 0.73547 1.13053 ++ {0.0} {} 0.0 0.8716 0 {} 0 0 0 16 {} 3.81557 0.03724 0.06731 ++ {0.0} {} {} 59.69400 0.61157 0.89000 ++ {0.0} {} 0.0 0.7333 0 {} 0 0 0 17 {} 3.72258 0.03715 0.12364 ++ {0.0} {} {} 59.74483 0.67508 1.06002 ++ {0.0} {} 0.0 0.8468 0 {} 0 0 0 18 {} 4.57894 0.04113 0.04390 ++ {0.0} {} {} 59.58616 0.62078 0.66738 ++ {0.0} {} 0.0 0.3481 0 {} 0 0 0 19 {} 4.02463 0.04288 0.11240 ++ {0.0} {} {} 59.58162 0.89724 1.35347 ++ {0.0} {} 0.0 1.1863 0 {} 0 0 0 20 {} 4.66712 0.03864 0.05428 ++ {0.0} {} {} 59.12313 0.55783 0.76292 ++ {0.0} {} 0.0 0.5485 0 {} 0 0 0 21 {} 4.14958 0.06557 0.09367 ++ {0.0} {} {} 58.88740 0.75915 1.31254 ++ {0.0} {} 0.0 1.1949 0 {} 0 0 0 22 {} 3.95897 0.02885 0.04121 ++ {0.0} {} {} 58.95448 0.24405 0.77828 ++ {0.0} {} 0.0 0.6325 0 {} 0 0 0 23 {} 4.00835 0.04654 0.09367 ++ {0.0} {} {} 58.72841 0.69071 0.94566 ++ {0.0} {} 0.0 1.0025 0 {} 0 0 0 24 {} 4.96634 0.00944 0.00763 ++ {0.0} {} {} 58.66563 0.71045 0.57568 ++ {0.0} {} 0.0 0.2455 0 {} 0 0 0 25 {} 3.85122 0.02943 0.04239 ++ {0.0} {} {} 58.51860 0.54860 0.84201 ++ {0.0} {} 0.0 0.7551 0 {} 0 0 0 26 {} 4.09577 0.03400 0.05972 ++ {0.0} {} {} 58.21508 0.78175 1.11679 ++ {0.0} {} 0.0 3.1134 0 {} 0 0 0 27 {} 4.04240 0.03277 0.05224 ++ {0.0} {} {} 57.79921 0.55835 0.83680 ++ {0.0} {} 0.0 0.7526 0 {} 0 0 0 28 {} 4.96725 0.00930 0.00338 ++ {0.0} {} {} 57.66127 0.59817 0.29253 ++ {0.0} {} 0.0 -0.1818 0 {} 0 0 0 29 {} 4.54925 0.03437 0.04524 ++ {0.0} {} {} 57.05053 0.55481 0.81950 ++ {0.0} {} 0.0 0.5493 0 {} 0 0 0 30 {} 4.44906 0.03697 0.05385 ++ {0.0} {} {} 56.95984 0.64001 0.92761 ++ {0.0} {} 0.0 0.6579 0 {} 0 0 0 31 {} 4.17278 0.06054 0.19691 ++ {0.0} {} {} 56.73149 0.72232 1.26843 ++ {0.0} {} 0.0 1.4557 0 {} 0 0 0 32 {} 4.24525 0.04459 0.06369 ++ {0.0} {} {} 56.34279 0.77380 0.80575 ++ {0.0} {} 0.0 0.3345 0 {} 0 0 0 33 {} 4.28677 0.10229 0.14612 ++ {0.0} {} {} 56.14636 0.70946 0.81990 ++ {0.0} {} 0.0 0.3934 0 {} 0 0 0 34 {} 4.46495 0.03294 0.09367 ++ {0.0} {} {} 55.90739 0.62046 1.19343 ++ {0.0} {} 0.0 1.5694 0 {} 0 0 0 35 {} 4.38290 0.03825 0.13863 ++ {0.0} {} {} 55.82964 0.80575 1.20916 ++ {0.0} {} 0.0 2.4337 0 {} 0 0 0 36 {} 4.91060 0.02456 0.03863 ++ {0.0} {} {} 55.44874 0.62224 0.99452 ++ {0.0} {} 0.0 0.9141 0 {} 0 0 0 37 {} 4.96500 0.01331 0.00801 ++ {0.0} {} {} 55.32455 0.52891 0.34653 ++ {0.0} {} 0.0 0.2098 0 {} 0 0 0 38 {} 4.77533 0.03996 0.05444 ++ {0.0} {} {} 54.56866 0.58727 0.82758 ++ {0.0} {} 0.0 0.5335 0 {} 0 0 0 39 {} 4.87513 0.03615 0.05633 ++ {0.0} {} {} 52.66030 0.61265 0.94400 ++ {0.0} {} 0.0 0.7039 0 {} 0 0 0 40 {} 4.00389 0.03670 0.05474 ++ {0.0} {} {} 51.10211 0.60300 0.80340 ++ {0.0} {} 0.0 0.5599 0 {} 0 0 0 41 {} 3.93447 0.03821 0.06915 ++ {0.0} {} {} 50.99610 0.67773 1.05525 ++ {0.0} {} 0.0 0.8666 0 {} 0 0 0 42 {} 4.03925 0.03197 0.04165 ++ {0.0} {} {} 50.86565 0.57122 0.76098 ++ {0.0} {} 0.0 0.4886 0 {} 0 0 0 43 {} 3.94642 0.02757 0.06369 ++ {0.0} {} {} 45.56952 0.41250 0.75394 ++ {0.0} {} 0.0 1.1380 0 {} 0 0 0 44 {} 3.89744 0.03063 0.06303 ++ {0.0} {} {} 45.60003 0.44538 0.74511 ++ {0.0} {} 0.0 1.0420 0 {} 0 0 0 45 {} 3.53166 0.01451 0.01319 ++ {0.0} {} {} 44.34377 0.38890 0.34979 ++ {0.0} {} 0.0 0.2837 0 {} 0 0 0 46 {} 3.86870 0.02024 0.07675 ++ {0.0} {} {} 43.46490 0.44753 0.86478 ++ {0.0} {} 0.0 4.0981 0 {} 0 0 0 47 {} 3.28033 0.03410 0.04871 ++ {0.0} {} {} 43.49040 0.67914 1.24563 ++ {0.0} {} 0.0 0.8677 0 {} 0 0 0 48 {} 3.17405 0.05577 0.18064 ++ {0.0} {} {} 43.38871 0.59866 1.51845 ++ {0.0} {} 0.0 4.0003 0 {} 0 0 0 49 {} 1.60104 0.04100 0.01422 ++ {0.0} {} {} 43.46225 0.52290 0.13095 ++ {0.0} {} 0.0 0.1735 0 {} 0 0 0 50 {} 3.31736 0.03968 0.06465 ++ {0.0} {} {} 42.65977 0.61324 0.93337 ++ {0.0} {} 0.0 0.6840 0 {} 0 0 0 51 {} 2.96382 0.04792 0.06357 ++ {0.0} {} {} 42.11168 0.60375 0.65042 ++ {0.0} {} 0.0 0.3463 0 {} 0 0 0 52 {} 2.87835 0.03154 0.05699 ++ {0.0} {} {} 42.05789 0.65756 1.22273 ++ {0.0} {} 0.0 1.8942 0 {} 0 0 0 53 {} 3.02489 0.02960 0.01681 ++ {0.0} {} {} 41.86687 0.60253 0.32523 ++ {0.0} {} 0.0 0.2029 0 {} 0 0 0 54 {} 2.77940 0.06213 0.09117 ++ {0.0} {} {} 41.35918 0.62749 0.87819 ++ {0.0} {} 0.0 0.6112 0 {} 0 0 0 55 {} 1.90923 0.04985 0.05268 ++ {0.0} {} {} 39.14951 0.82749 0.87771 ++ {0.0} {} 0.0 0.3393 0 {} 0 0 0 56 {} 2.90761 0.06926 0.07410 ++ {0.0} {} {} 38.91858 0.63255 0.68147 ++ {0.0} {} 0.0 0.3508 0 {} 0 0 0 57 {} 2.79258 0.04790 0.03679 ++ {0.0} {} {} 37.83610 0.59974 0.47336 ++ {0.0} {} 0.0 0.2460 0 {} 0 0 0 58 {} 2.71881 0.06166 0.03211 ++ {0.0} {} {} 37.83345 0.63762 0.34909 ++ {0.0} {} 0.0 0.1962 0 {} 0 0 0 59 {} 3.26140 0.05518 0.01632 ++ {0.0} {} {} 37.21506 0.62824 0.34163 ++ {0.0} {} 0.0 0.2042 0 {} 0 0 0 60 {} 3.02634 0.04216 0.04035 ++ {0.0} {} {} 37.21336 0.51735 0.48866 ++ {0.0} {} 0.0 0.2952 0 {} 0 0 0 61 {} 2.20053 0.03663 0.08208 ++ {0.0} {} {} 36.74953 0.64301 1.03790 ++ {0.0} {} 0.0 2.7168 0 {} 0 0 0 62 {} 2.03061 0.02878 0.02314 ++ {0.0} {} {} 36.74537 0.52036 0.41481 ++ {0.0} {} 0.0 0.2463 0 {} 0 0 0 63 {} 3.44033 0.05728 0.01801 ++ {0.0} {} {} 36.55217 0.61124 0.30406 ++ {0.0} {} 0.0 0.1961 0 {} 0 0 0 64 {} 3.56714 0.05865 0.02811 ++ {0.0} {} {} 36.53295 0.54177 0.36984 ++ {0.0} {} 0.0 0.2277 0 {} 0 0 0 65 {} 3.19202 0.04230 0.03422 ++ {0.0} {} {} 36.53988 0.47617 0.36463 ++ {0.0} {} 0.0 0.2453 0 {} 0 0 0 66 {} 3.10097 0.04439 0.03891 ++ {0.0} {} {} 36.52615 0.53917 0.46285 ++ {0.0} {} 0.0 0.2692 0 {} 0 0 0 67 {} 2.39383 0.06199 0.08856 ++ {0.0} {} {} 36.49150 0.66423 1.07049 ++ {0.0} {} 0.0 0.8627 0 {} 0 0 0 68 {} 2.09725 0.02085 0.01384 ++ {0.0} {} {} 36.49718 0.57385 0.08384 ++ {0.0} {} 0.0 0.1666 0 {} 0 0 0 69 {} 2.45927 0.04494 0.07148 ++ {0.0} {} {} 36.33196 0.64489 0.98292 ++ {0.0} {} 0.0 0.6942 0 {} 0 0 0 70 {} 2.33817 0.07606 0.10866 ++ {0.0} {} {} 36.27060 0.68030 1.19421 ++ {0.0} {} 0.0 1.0839 0 {} 0 0 0 71 {} 2.25565 0.05078 0.09197 ++ {0.0} {} {} 36.33413 0.72771 1.43175 ++ {0.0} {} 0.0 1.7916 0 {} 0 0 0 72 {} 3.51828 0.05805 0.02946 ++ {0.0} {} {} 35.24553 0.64071 0.46244 ++ {0.0} {} 0.0 0.2282 0 {} 0 0 0 73 {} 3.08800 0.04304 0.03891 ++ {0.0} {} {} 35.23943 0.58996 0.53342 ++ {0.0} {} 0.0 0.2797 0 {} 0 0 0 74 {} 2.01265 0.06361 0.09087 ++ {0.0} {} {} 34.38260 0.34376 0.64575 ++ {0.0} {} 0.0 0.2644 0 {} 0 0 0 75 {} 2.53041 0.05445 0.09367 ++ {0.0} {} {} 34.11517 0.58484 1.05487 ++ {0.0} {} 0.0 1.4860 0 {} 0 0 0 76 {} 2.58857 0.04672 0.06674 ++ {0.0} {} {} 34.02683 0.81418 1.19992 ++ {0.0} {} 0.0 0.8488 0 {} 0 0 0 77 {} 2.35814 0.07170 0.27930 ++ {0.0} {} {} 33.96907 0.77540 1.25999 ++ {0.0} {} 0.0 5.5361 0 {} 0 0 0 78 {} 2.12241 0.04983 0.07119 ++ {0.0} {} {} 34.04444 0.78058 1.49201 ++ {0.0} {} 0.0 1.0113 0 {} 0 0 0 79 {} 2.19776 0.03338 0.13965 ++ {0.0} {} {} 33.92754 0.64763 1.15293 ++ {0.0} {} 0.0 1.3965 0 {} 0 0 0 80 {} 1.97502 0.07606 0.10866 ++ {0.0} {} {} 33.88710 0.59443 0.67778 ++ {0.0} {} 0.0 0.3674 0 {} 0 0 0 81 {} 1.88773 0.04463 0.07650 ++ {0.0} {} {} 33.91859 0.55505 0.85208 ++ {0.0} {} 0.0 0.6834 0 {} 0 0 0 82 {} 2.02156 0.05655 0.06492 ++ {0.0} {} {} 33.12378 0.53440 1.42501 ++ {0.0} {} 0.0 0.3663 0 {} 0 0 0 83 {} 2.08659 0.04977 0.07301 ++ {0.0} {} {} 33.12066 0.86130 1.23042 ++ {0.0} {} 0.0 0.4569 0 {} 0 0 0 84 {} 1.82897 0.04585 0.07095 ++ {0.0} {} {} 32.39495 0.76071 1.17080 ++ {0.0} {} 0.0 0.6752 0 {} 0 0 0 85 {} 2.09099 0.05540 0.06406 ++ {0.0} {} {} 32.24642 0.73689 1.05270 ++ {0.0} {} 0.0 0.3712 0 {} 0 0 0 86 {} 2.42448 0.05800 0.07919 ++ {0.0} {} {} 32.15251 0.56581 0.78159 ++ {0.0} {} 0.0 0.5275 0 {} 0 0 0 87 {} 1.98645 0.06102 0.06868 ++ {0.0} {} {} 32.10697 0.85447 1.01242 ++ {0.0} {} 0.0 0.3592 0 {} 0 0 0 88 {} 2.60234 0.01940 0.06402 ++ {0.0} {} {} 31.95074 0.67803 0.98257 ++ {0.0} {} 0.0 0.7117 0 {} 0 0 0 89 {} 2.56729 0.03410 0.04871 ++ {0.0} {} {} 31.97121 0.70039 0.97361 ++ {0.0} {} 0.0 0.6430 0 {} 0 0 0 90 {} 2.02829 0.05106 0.17660 ++ {0.0} {} {} 31.08451 0.82294 1.41375 ++ {0.0} {} 0.0 0.7231 0 {} 0 0 0 91 {} 1.88444 0.05395 0.12955 ++ {0.0} {} {} 31.10502 0.84911 1.48483 ++ {0.0} {} 0.0 1.0854 0 {} 0 0 0 92 {} 1.73193 0.05420 0.07482 ++ {0.0} {} {} 31.12009 0.83572 1.08037 ++ {0.0} {} 0.0 0.4817 0 {} 0 0 0 93 {} 1.60213 0.04110 0.02542 ++ {0.0} {} {} 31.08122 0.66404 0.40147 ++ {0.0} {} 0.0 0.2170 0 {} 0 0 0 94 {} 2.19980 0.02413 0.02623 ++ {0.0} {} {} 31.03644 0.52635 0.75193 ++ {0.0} {} 0.0 0.3489 0 {} 0 0 0 95 {} 2.20393 0.08130 0.11615 ++ {0.0} {} {} 30.23082 1.05270 1.50385 ++ {0.0} {} 0.0 0.4765 0 {} 0 0 0 96 {} 2.25209 0.06914 0.09878 ++ {0.0} {} {} 29.73536 0.39805 1.28945 ++ {0.0} {} 0.0 0.5234 0 {} 0 0 0 97 {} 1.96953 0.07961 0.16860 ++ {0.0} {} {} 29.74339 1.21856 1.74080 ++ {0.0} {} 0.0 1.9645 0 {} 0 0 0 98 {} 1.85108 0.02420 0.08559 ++ {0.0} {} {} 29.74524 1.05835 1.55892 ++ {0.0} {} 0.0 0.8694 0 {} 0 0 0 99 {} 3.13443 0.04441 0.06000 ++ {0.0} {} {} 29.59463 0.67533 0.91523 ++ {0.0} {} 0.0 0.5307 0 {} 0 0 0 100 {} 2.34515 0.04367 0.06489 ++ {0.0} {} {} 29.64879 0.70426 0.97856 ++ {0.0} {} 0.0 0.5557 0 {} 0 0 0 101 {} 2.08452 0.07361 0.13863 ++ {0.0} {} {} 29.61529 1.40184 2.00263 ++ {0.0} {} 0.0 1.7492 0 {} 0 0 0 102 {} 1.56716 0.04055 0.07006 ++ {0.0} {} {} 29.03407 0.73015 1.44214 ++ {0.0} {} 0.0 1.0594 0 {} 0 0 0 103 {} 2.13739 0.09485 0.25853 ++ {0.0} {} {} 28.81230 1.31203 1.87433 ++ {0.0} {} 0.0 1.6185 0 {} 0 0 0 104 {} 2.18048 0.04983 0.07119 ++ {0.0} {} {} 28.61594 0.96634 1.38049 ++ {0.0} {} 0.0 1.5527 0 {} 0 0 0 105 {} 2.33288 0.01616 0.02546 ++ {0.0} {} {} 28.46869 0.24821 0.39025 ++ {0.0} {} 0.0 0.2324 0 {} 0 0 0 106 {} 1.84773 0.02299 0.07113 ++ {0.0} {} {} 27.95450 0.75164 1.06328 ++ {0.0} {} 0.0 0.5422 0 {} 0 0 0 107 {} 2.05810 0.06534 0.13656 ++ {0.0} {} {} 27.84699 0.38700 1.16486 ++ {0.0} {} 0.0 0.6822 0 {} 0 0 0 108 {} 1.26994 0.04954 0.04834 ++ {0.0} {} {} 27.92484 0.69524 0.68179 ++ {0.0} {} 0.0 0.3088 0 {} 0 0 0 109 {} 1.77544 0.06689 0.12190 ++ {0.0} {} {} 27.55329 0.91570 1.32104 ++ {0.0} {} 0.0 0.7821 0 {} 0 0 0 110 {} 1.60516 0.07787 0.17446 ++ {0.0} {} {} 27.20097 0.41929 1.65741 ++ {0.0} {} 0.0 1.8273 0 {} 0 0 0 111 {} 1.89306 0.01374 0.01373 ++ {0.0} {} {} 25.99531 0.37420 0.37375 ++ {0.0} {} 0.0 0.3145 0 {} 0 0 0 112 {} 1.47525 0.04821 0.05496 ++ {0.0} {} {} 25.37634 0.73156 0.82436 ++ {0.0} {} 0.0 0.3794 0 {} 0 0 0 113 {} 1.32536 0.04616 0.05446 ++ {0.0} {} {} 25.37387 0.76505 0.89990 ++ {0.0} {} 0.0 0.3981 0 {} 0 0 0 114 {} 0.90527 0.03094 0.07683 ++ {0.0} {} {} 17.49244 0.65626 1.03565 ++ {0.0} {} 0.0 2.0837 0 {} 0 0 0 115 {} 2.09667 0.01337 0.02513 ++ {0.0} {} {} 17.00666 0.46063 1.00035 ++ {0.0} {} 0.0 5.2732 0 {} 0 0 0 116 {} 2.07910 0.00878 0.00964 ++ {0.0} {} {} 17.01612 0.41221 0.55212 ++ {0.0} {} 0.0 -0.5148 0 {} 0 0 0 117 {} 2.18301 0.01068 0.00782 ++ {0.0} {} {} 16.99017 0.34472 0.08823 ++ {0.0} {} 0.0 0.1803 0 {} 0 0 0 118 {} 2.09663 0.01243 0.01481 ++ {0.0} {} {} 16.45977 0.07379 0.09244 ++ {0.0} {} 0.0 -0.4215 0 {} 0 0 0 119 {} 0.82309 0.02724 0.05036 ++ {0.0} {} {} 13.13401 0.60132 1.03665 ++ {0.0} {} 0.0 2.2466 0 {} 0 0 0 120 {} 4.96038 0.00912 0.00376 ++ {0.0} {} {} 12.13252 0.61106 0.31813 ++ {0.0} {} 0.0 -0.1863 0 {} 0 0 0 121 {} 4.96310 0.00890 0.00405 ++ {0.0} {} {} 11.37564 0.66639 0.35850 ++ {0.0} {} 0.0 0.1972 0 {} 0 0 0 122 {} 4.96321 0.00878 0.00413 ++ {0.0} {} {} 10.24907 0.84855 0.53344 ++ {0.0} {} 0.0 -0.1987 0 {} 0 0 0 123 {} 4.97065 0.00915 0.00702 ++ {0.0} {} {} 9.49333 1.04371 0.77954 ++ {0.0} {} 0.0 0.2249 0 {} 0 0 0 124 {} 4.96759 0.00916 0.00639 ++ {0.0} {} {} 9.09337 1.19270 0.90692 ++ {0.0} {} 0.0 0.2249 0 {} 0 0 0 125 {} 4.97755 0.00988 0.00647 ++ {0.0} {} {} 8.45630 0.71694 1.09567 ++ {0.0} {} 0.0 -0.2070 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic 2 . 11160.714 Hz . . . 4.773 . . 30869 1 2 . . C 13 C-aliphatic 1 . 14080.470 Hz . . . 35.105 . . 30869 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 30869 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D C(CO)NH' _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 ; Used to assign side chain 13C; Accessed via the Ponderosa Web client: Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH; Lee W, Stark JL, Markley JL. (2014) PONDEROSA-C/S: Client-server based software package for automated protein 3D structure determination. Journal of Biomolecular NMR 60(2-3):73-5. ; _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; label dataset sw sf H1 H N15 hc_co_nh_S.nv 3002.60205078 6595.77392578 1800.0 599.619018555 599.619018555 60.7659988403 H1.L H1.P H1.W H1.B H1.E H1.J H1.U H.L H.P H.W H.B H.E H.J H.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 8.05155 0.03309 0.07231 ++ {0.0} {} {43.HA} 4.41119 0.11664 0.29029 ++ {0.0} {} {} 126.75409 0.67083 1.67696 ++ {0.0} {} 0.0 0.6251 0 {} 0 0 0 1 {} 8.05083 0.02821 0.10325 ++ {0.0} {} {43.HD2} 3.18732 0.11118 0.33470 ++ {0.0} {} {} 126.75479 0.65806 1.88290 ++ {0.0} {} 0.0 3.2439 0 {} 0 0 0 2 {} 7.97090 0.03148 0.06403 ++ {0.0} {} {} 3.18940 0.11142 0.10254 ++ {0.0} {} {} 126.85831 0.62487 0.57507 ++ {0.0} {} 0.0 0.0793 0 {} 0 0 0 3 {} 7.88863 0.04004 0.03904 ++ {0.0} {} {} 3.18242 0.12084 0.11691 ++ {0.0} {} {} 126.81682 0.62057 0.60035 ++ {0.0} {} 0.0 0.0829 0 {} 0 0 0 4 {} 7.64527 0.03551 0.02205 ++ {0.0} {} {} 3.18266 0.11684 0.05378 ++ {0.0} {} {} 126.78647 0.62307 0.28681 ++ {0.0} {} 0.0 0.0556 0 {} 0 0 0 5 {} 7.90411 0.02999 0.01910 ++ {0.0} {} {} 2.28723 0.15389 0.07312 ++ {0.0} {} {} 126.61877 0.93263 0.44426 ++ {0.0} {} 0.0 0.0562 0 {} 0 0 0 6 {} 8.05124 0.03275 0.08346 ++ {0.0} {} {43.HG2} 1.65289 0.14126 0.44396 ++ {0.0} {} {} 126.74907 0.66475 1.74921 ++ {0.0} {} 0.0 1.3880 0 {} 0 0 0 7 {} 8.67795 0.03543 0.02501 ++ {0.0} {} {} 2.36994 0.14704 0.09395 ++ {0.0} {} {} 123.88686 0.86954 0.55557 ++ {0.0} {} 0.0 0.0629 0 {} 0 0 0 8 {} 8.42607 0.04714 0.10550 ++ {0.0} {} {3.HA} 4.39753 0.11459 0.24595 ++ {0.0} {} {} 122.88969 0.78057 1.54231 ++ {0.0} {} 0.0 0.3773 0 {} 0 0 0 9 {} 8.32215 0.02181 0.03179 ++ {0.0} {} {} 4.35412 0.15786 0.07506 ++ {0.0} {} {} 123.09624 0.65534 0.31160 ++ {0.0} {} 0.0 0.0562 0 {} 0 0 0 10 {} 8.16482 0.03043 0.01573 ++ {0.0} {} {} 3.00755 0.17279 0.06430 ++ {0.0} {} {} 122.87924 0.79960 0.29756 ++ {0.0} {} 0.0 0.0526 0 {} 0 0 0 11 {} 8.42644 0.04780 0.19949 ++ {0.0} {} {3.HG2} 2.37115 0.15585 0.32433 ++ {0.0} {} {} 122.89439 0.78953 1.72640 ++ {0.0} {} 0.0 1.3536 0 {} 0 0 0 12 {} 8.32690 0.05786 0.08266 ++ {0.0} {} {} 2.36130 0.13874 0.24855 ++ {0.0} {} {} 123.02785 0.74386 1.48030 ++ {0.0} {} 0.0 0.1908 0 {} 0 0 0 13 {} 8.22125 0.02398 0.01849 ++ {0.0} {} {} 2.37532 0.14443 0.04861 ++ {0.0} {} {} 122.99371 0.86339 0.29058 ++ {0.0} {} 0.0 0.0515 0 {} 0 0 0 14 {} 8.06760 0.03469 0.07029 ++ {0.0} {} {8.HA} 3.98328 0.12485 0.31846 ++ {0.0} {} {} 122.24353 0.57640 1.28975 ++ {0.0} {} 0.0 0.6194 0 {} 0 0 0 15 {} 8.06822 0.03429 0.09017 ++ {0.0} {} {8.HG2} 2.37146 0.17219 0.34023 ++ {0.0} {} {} 122.24156 0.57478 1.56361 ++ {0.0} {} 0.0 1.6863 0 {} 0 0 0 16 {} 7.99699 0.02895 0.04088 ++ {0.0} {} {} 2.36684 0.14532 0.06733 ++ {0.0} {} {} 122.36185 0.78148 0.36206 ++ {0.0} {} 0.0 0.0557 0 {} 0 0 0 17 {} 8.79664 0.03151 0.06121 ++ {0.0} {} {25.HA} 4.09919 0.15445 0.30123 ++ {0.0} {} {} 121.94660 0.74414 1.58553 ++ {0.0} {} 0.0 0.4433 0 {} 0 0 0 18 {} 8.79828 0.03285 0.08316 ++ {0.0} {} {25.HD2} 3.30597 0.18710 0.33163 ++ {0.0} {} {} 121.94670 0.74031 1.70829 ++ {0.0} {} 0.0 1.2273 0 {} 0 0 0 19 {} 8.79764 0.03380 0.06988 ++ {0.0} {} {25.HB2} 1.93478 0.09727 0.36525 ++ {0.0} {} {} 121.94466 0.73029 1.62764 ++ {0.0} {} 0.0 0.6113 0 {} 0 0 0 20 {} 8.53883 0.03368 0.06758 ++ {0.0} {} {33.HA} 4.57159 0.11298 0.25604 ++ {0.0} {} {} 121.64205 0.68094 1.58671 ++ {0.0} {} 0.0 0.4717 0 {} 0 0 0 21 {} 8.61070 0.03378 0.09041 ++ {0.0} {} {} 3.54267 0.11819 0.31387 ++ {0.0} {} {} 121.32681 0.58527 1.45871 ++ {0.0} {} 0.0 0.7728 0 {} 0 0 0 22 {} 8.53700 0.03495 0.08532 ++ {0.0} {} {} 3.47210 0.13129 0.32801 ++ {0.0} {} {} 121.63385 0.69637 1.65021 ++ {0.0} {} 0.0 0.6079 0 {} 0 0 0 23 {} 8.53689 0.03296 0.07645 ++ {0.0} {} {33.HB2} 3.21126 0.14277 0.28359 ++ {0.0} {} {} 121.64854 0.67857 1.66413 ++ {0.0} {} 0.0 0.6271 0 {} 0 0 0 24 {} 8.61079 0.03348 0.08382 ++ {0.0} {} {29.HB2} 3.11157 0.11526 0.29442 ++ {0.0} {} {} 121.33504 0.59194 1.49278 ++ {0.0} {} 0.0 0.7331 0 {} 0 0 0 25 {} 8.41552 0.04921 0.02766 ++ {0.0} {} {} 1.69463 0.20756 0.11295 ++ {0.0} {} {} 121.63142 0.72262 0.39416 ++ {0.0} {} 0.0 0.0589 0 {} 0 0 0 26 {} 8.60200 0.06149 0.09467 ++ {0.0} {} {} 4.48133 0.10898 0.18097 ++ {0.0} {} {} 121.09241 0.82496 1.43288 ++ {0.0} {} 0.0 0.2522 0 {} 0 0 0 27 {} 8.37222 0.08849 0.08053 ++ {0.0} {} {2.HA} 4.25183 0.16626 0.14499 ++ {0.0} {} {} 121.14428 1.11227 0.96341 ++ {0.0} {} 0.0 0.0759 0 {} 0 0 0 28 {} 7.86575 0.03132 0.08027 ++ {0.0} {} {31.HA} 4.18155 0.15788 0.32161 ++ {0.0} {} {} 121.14696 0.72490 1.69876 ++ {0.0} {} 0.0 0.9920 0 {} 0 0 0 29 {} 8.31127 0.03271 0.05516 ++ {0.0} {} {11.HA} 3.96239 0.11087 0.17888 ++ {0.0} {} {} 121.26289 0.60362 0.97392 ++ {0.0} {} 0.0 0.2216 0 {} 0 0 0 30 {} 8.31297 0.03538 0.09929 ++ {0.0} {} {11.HD2} 3.20706 0.13290 0.34035 ++ {0.0} {} {} 121.25031 0.64049 1.85603 ++ {0.0} {} 0.0 0.9516 0 {} 0 0 0 31 {} 8.60161 0.05745 0.17324 ++ {0.0} {} {} 2.61117 0.13034 0.32004 ++ {0.0} {} {} 121.10036 0.81563 1.64693 ++ {0.0} {} 0.0 0.6775 0 {} 0 0 0 32 {} 7.86656 0.03023 0.07928 ++ {0.0} {} {31.HG2} 2.56905 0.31143 0.44490 ++ {0.0} {} {} 121.14130 0.74754 1.76114 ++ {0.0} {} 0.0 1.3851 0 {} 0 0 0 33 {} 7.70485 0.03524 0.01436 ++ {0.0} {} {} 2.48284 0.09305 0.06170 ++ {0.0} {} {} 121.07131 1.15555 0.35745 ++ {0.0} {} 0.0 0.0503 0 {} 0 0 0 34 {} 8.36557 0.07645 0.13855 ++ {0.0} {} {2.HB3} 2.30622 0.15399 0.27160 ++ {0.0} {} {} 120.93449 1.04443 1.78178 ++ {0.0} {} 0.0 0.1973 0 {} 0 0 0 35 {} 8.31220 0.03469 0.07543 ++ {0.0} {} {11.HB2} 1.87897 0.14161 0.20230 ++ {0.0} {} {} 121.25111 0.62942 1.63896 ++ {0.0} {} 0.0 0.6389 0 {} 0 0 0 36 {} 8.31253 0.03513 0.05810 ++ {0.0} {} {11.HG2} 1.61875 0.05883 0.24098 ++ {0.0} {} {} 121.24165 0.65420 1.20438 ++ {0.0} {} 0.0 0.2357 0 {} 0 0 0 37 {} 8.10870 0.03440 0.10227 ++ {0.0} {} {28.HA} 4.09379 0.18056 0.25795 ++ {0.0} {} {} 120.62955 0.84395 1.72399 ++ {0.0} {} 0.0 1.0966 0 {} 0 0 0 38 {} 8.16233 0.05786 0.08266 ++ {0.0} {} {} 3.97883 0.12850 0.33725 ++ {0.0} {} {} 120.62215 0.85118 1.65200 ++ {0.0} {} 0.0 0.5014 0 {} 0 0 0 39 {} 8.10965 0.03409 0.08285 ++ {0.0} {} {28.HG2} 2.48682 0.11241 0.35330 ++ {0.0} {} {} 120.61123 0.90276 1.90525 ++ {0.0} {} 0.0 1.3984 0 {} 0 0 0 40 {} 8.52198 0.03727 0.07951 ++ {0.0} {} {20.HA} 4.78945 0.15001 0.30236 ++ {0.0} {} {} 120.20925 0.74895 1.59942 ++ {0.0} {} 0.0 0.4434 0 {} 0 0 0 41 {} 8.27643 0.03356 0.06801 ++ {0.0} {} {34.HA} 4.04385 0.11210 0.26971 ++ {0.0} {} {} 119.96732 0.60272 1.57251 ++ {0.0} {} 0.0 0.5799 0 {} 0 0 0 42 {} 7.96565 0.03573 0.25576 ++ {0.0} {} {} 3.93977 0.18276 0.33451 ++ {0.0} {} {} 120.15479 0.82356 1.76947 ++ {0.0} {} 0.0 5.6708 0 {} 0 0 0 43 {} 7.55679 0.04518 0.04377 ++ {0.0} {} {} 3.93391 0.15267 0.14756 ++ {0.0} {} {} 120.16142 0.83110 0.80330 ++ {0.0} {} 0.0 0.0829 0 {} 0 0 0 44 {} 8.27783 0.03383 0.20495 ++ {0.0} {} {34.HG2} 2.43275 0.16954 0.36974 ++ {0.0} {} {} 119.96609 0.60368 1.70238 ++ {0.0} {} 0.0 1.4025 0 {} 0 0 0 45 {} 8.52312 0.04198 0.09931 ++ {0.0} {} {20.HG2} 2.25459 0.10473 0.37315 ++ {0.0} {} {} 120.20560 0.86947 1.89167 ++ {0.0} {} 0.0 0.5849 0 {} 0 0 0 46 {} 8.41199 0.02941 0.07081 ++ {0.0} {} {30.HA} 3.83286 0.15869 0.32160 ++ {0.0} {} {} 119.69997 0.83354 1.69620 ++ {0.0} {} 0.0 0.9292 0 {} 0 0 0 47 {} 8.15041 0.03326 0.07865 ++ {0.0} {} {26.HA} 3.75477 0.15803 0.32025 ++ {0.0} {} {} 119.75092 0.73224 1.69197 ++ {0.0} {} 0.0 0.9077 0 {} 0 0 0 48 {} 8.00397 0.03371 0.08860 ++ {0.0} {} {14.HD2} 3.17371 0.13379 0.33575 ++ {0.0} {} {} 119.56964 0.65689 1.71956 ++ {0.0} {} 0.0 1.2768 0 {} 0 0 0 49 {} 8.41235 0.02883 0.07254 ++ {0.0} {} {30.HG2} 2.51328 0.11746 0.36916 ++ {0.0} {} {} 119.69162 0.84011 1.73341 ++ {0.0} {} 0.0 1.1090 0 {} 0 0 0 50 {} 8.15082 0.03394 0.17284 ++ {0.0} {} {26.HG2} 2.36933 0.15354 0.33373 ++ {0.0} {} {} 119.75604 0.73599 1.80575 ++ {0.0} {} 0.0 2.4702 0 {} 0 0 0 51 {} 8.03032 0.03578 0.18655 ++ {0.0} {} {6.HG2} 2.34875 0.11787 0.32442 ++ {0.0} {} {} 119.62172 0.84948 1.91619 ++ {0.0} {} 0.0 2.3497 0 {} 0 0 0 52 {} 8.00429 0.03328 0.07215 ++ {0.0} {} {14.HB2} 1.85456 0.19851 0.28359 ++ {0.0} {} {} 119.56567 0.64245 1.53549 ++ {0.0} {} 0.0 0.6801 0 {} 0 0 0 53 {} 8.13042 0.03175 0.05653 ++ {0.0} {} {37.HA} 4.68439 0.15421 0.30822 ++ {0.0} {} {} 119.20950 0.83174 1.52621 ++ {0.0} {} 0.0 0.3364 0 {} 0 0 0 54 {} 7.48721 0.03571 0.07738 ++ {0.0} {} {24.HA} 4.13807 0.11160 0.30636 ++ {0.0} {} {} 119.15652 0.71780 1.67643 ++ {0.0} {} 0.0 0.8263 0 {} 0 0 0 55 {} 8.10640 0.03421 0.06894 ++ {0.0} {} {38.HA} 3.86897 0.12116 0.27841 ++ {0.0} {} {} 119.01077 0.59336 1.29785 ++ {0.0} {} 0.0 0.3987 0 {} 0 0 0 56 {} 7.89906 0.03120 0.06720 ++ {0.0} {} {13.HA} 3.74752 0.15760 0.32096 ++ {0.0} {} {} 119.29764 0.72233 1.70339 ++ {0.0} {} 0.0 0.9232 0 {} 0 0 0 57 {} 8.12625 0.04043 0.11960 ++ {0.0} {} {38.HE2} 2.88902 0.16116 0.48804 ++ {0.0} {} {} 119.19999 0.83623 1.76273 ++ {0.0} {} 0.0 2.3722 0 {} 0 0 0 58 {} 7.65112 0.03521 0.00276 ++ {0.0} {} {} 2.28920 0.18546 0.00972 ++ {0.0} {} {} 119.08968 0.72011 0.03761 ++ {0.0} {} 0.0 0.0440 0 {} 0 0 0 59 {} 7.48677 0.03501 0.08855 ++ {0.0} {} {24.HG2} 2.30797 0.14409 0.32734 ++ {0.0} {} {} 119.15866 0.72250 1.73888 ++ {0.0} {} 0.0 2.1669 0 {} 0 0 0 60 {} 7.89896 0.03098 0.07496 ++ {0.0} {} {13.HG2} 2.13623 0.14834 0.28359 ++ {0.0} {} {} 119.29651 0.72286 1.70651 ++ {0.0} {} 0.0 1.0001 0 {} 0 0 0 61 {} 8.10604 0.03368 0.06764 ++ {0.0} {} {38.HD2} 1.85389 0.06674 0.31991 ++ {0.0} {} {} 118.99548 0.57531 1.21203 ++ {0.0} {} 0.0 0.5202 0 {} 0 0 0 62 {} 7.89876 0.03435 0.10175 ++ {0.0} {} {13.HG3} 1.88953 0.11692 0.32148 ++ {0.0} {} {} 119.28957 0.76100 1.72662 ++ {0.0} {} 0.0 0.8084 0 {} 0 0 0 63 {} 8.10670 0.03432 0.07764 ++ {0.0} {} {38.HD3} 1.57738 0.13666 0.19523 ++ {0.0} {} {} 119.00025 0.57710 1.45382 ++ {0.0} {} 0.0 0.8776 0 {} 0 0 0 64 {} 8.52787 0.03757 0.08791 ++ {0.0} {} {5.HA} 4.41169 0.11618 0.26039 ++ {0.0} {} {} 118.74706 0.84540 1.61718 ++ {0.0} {} 0.0 0.4488 0 {} 0 0 0 65 {} 8.37980 0.03295 0.06147 ++ {0.0} {} {12.HA} 4.18096 0.15675 0.27712 ++ {0.0} {} {} 118.76031 0.85288 1.47365 ++ {0.0} {} 0.0 0.2487 0 {} 0 0 0 66 {} 8.26140 0.03439 0.08343 ++ {0.0} {} {7.HA} 4.16816 0.13665 0.31206 ++ {0.0} {} {} 118.86745 1.01002 2.60167 ++ {0.0} {} 0.0 0.6503 0 {} 0 0 0 67 {} 8.01395 0.03934 0.13811 ++ {0.0} {} {40.HA} 4.21083 0.12485 0.33591 ++ {0.0} {} {} 118.84836 0.74296 1.77309 ++ {0.0} {} 0.0 0.9616 0 {} 0 0 0 68 {} 7.81976 0.03929 0.08166 ++ {0.0} {} {36.HA} 4.10555 0.13979 0.31678 ++ {0.0} {} {} 118.78938 0.85855 1.73121 ++ {0.0} {} 0.0 0.9056 0 {} 0 0 0 69 {} 8.52794 0.03352 0.07223 ++ {0.0} {} {5.HD2} 3.99055 0.15490 0.32603 ++ {0.0} {} {} 118.74086 0.84705 1.62572 ++ {0.0} {} 0.0 0.4701 0 {} 0 0 0 70 {} 8.37925 0.03369 0.07350 ++ {0.0} {} {12.HB2} 3.57731 0.16258 0.32335 ++ {0.0} {} {} 118.76405 0.82120 1.68478 ++ {0.0} {} 0.0 0.8452 0 {} 0 0 0 71 {} 7.86044 0.03347 0.08653 ++ {0.0} {} {27.HD2} 3.25034 0.16780 0.30975 ++ {0.0} {} {} 118.73521 0.81666 1.74074 ++ {0.0} {} 0.0 1.6082 0 {} 0 0 0 72 {} 8.37967 0.03364 0.07314 ++ {0.0} {} {12.HB3} 3.12969 0.13002 0.31201 ++ {0.0} {} {} 118.76884 0.83323 1.68930 ++ {0.0} {} 0.0 0.7747 0 {} 0 0 0 73 {} 8.52726 0.03569 0.06915 ++ {0.0} {} {5.HB2} 2.45332 0.15154 0.30497 ++ {0.0} {} {} 118.74581 0.84882 1.55984 ++ {0.0} {} 0.0 0.3162 0 {} 0 0 0 74 {} 7.82001 0.03471 0.08727 ++ {0.0} {} {36.HG2} 2.42956 0.06042 0.34243 ++ {0.0} {} {} 118.79274 0.85390 1.73310 ++ {0.0} {} 0.0 1.2471 0 {} 0 0 0 75 {} 8.52775 0.03451 0.09670 ++ {0.0} {} {5.HG2} 2.12026 0.22080 0.31542 ++ {0.0} {} {} 118.73489 0.83760 1.92263 ++ {0.0} {} 0.0 0.8471 0 {} 0 0 0 76 {} 7.86058 0.03574 0.07106 ++ {0.0} {} {27.HB2} 1.95630 0.26321 0.37601 ++ {0.0} {} {} 118.73761 0.82851 1.67853 ++ {0.0} {} 0.0 0.6966 0 {} 0 0 0 77 {} 7.86011 0.03289 0.05906 ++ {0.0} {} {27.HG2} 1.62855 0.18956 0.27080 ++ {0.0} {} {} 118.72922 0.80888 1.56686 ++ {0.0} {} 0.0 0.3625 0 {} 0 0 0 78 {} 7.97628 0.03529 0.08346 ++ {0.0} {} {39.HA} 4.11650 0.12391 0.31578 ++ {0.0} {} {} 118.29856 0.84703 1.73718 ++ {0.0} {} 0.0 1.0049 0 {} 0 0 0 79 {} 7.97685 0.03608 0.08798 ++ {0.0} {} {39.HG2} 2.34510 0.26550 0.37929 ++ {0.0} {} {} 118.29882 0.83250 1.76263 ++ {0.0} {} 0.0 1.6775 0 {} 0 0 0 80 {} 8.76333 0.04030 0.07380 ++ {0.0} {} {23.HA} 4.26979 0.18232 0.27711 ++ {0.0} {} {} 117.82429 0.81893 1.47414 ++ {0.0} {} 0.0 0.2954 0 {} 0 0 0 81 {} 8.76242 0.03976 0.06715 ++ {0.0} {} {23.HD2} 4.01364 0.10285 0.35281 ++ {0.0} {} {} 117.83228 0.82172 1.42875 ++ {0.0} {} 0.0 0.2404 0 {} 0 0 0 82 {} 8.76322 0.04058 0.07637 ++ {0.0} {} {23.HG2} 2.06632 0.06830 0.30381 ++ {0.0} {} {} 117.82661 0.82067 1.48006 ++ {0.0} {} 0.0 0.2859 0 {} 0 0 0 83 {} 8.27480 0.03421 0.06783 ++ {0.0} {} {18.HB} 1.92952 0.13479 0.30292 ++ {0.0} {} {} 117.90798 0.72049 1.59771 ++ {0.0} {} 0.0 0.4513 0 {} 0 0 0 84 {} 8.27465 0.03248 0.03182 ++ {0.0} {} {18.HG13} 1.56853 0.10666 0.10397 ++ {0.0} {} {} 117.92472 0.70480 0.68706 ++ {0.0} {} 0.0 0.0835 0 {} 0 0 0 85 {} 8.27537 0.02878 0.02914 ++ {0.0} {} {18.HG12} 1.28459 0.14453 0.14658 ++ {0.0} {} {} 117.89992 0.71809 0.72830 ++ {0.0} {} 0.0 0.0869 0 {} 0 0 0 86 {} 8.27409 0.03542 0.08281 ++ {0.0} {} {18.HG21} 0.90997 0.19154 0.31759 ++ {0.0} {} {} 117.90224 0.71949 1.67099 ++ {0.0} {} 0.0 0.8804 0 {} 0 0 0 87 {} 8.15068 0.03505 0.06198 ++ {0.0} {} {32.HA} 4.16116 0.12934 0.27440 ++ {0.0} {} {} 117.55688 0.59620 1.05705 ++ {0.0} {} 0.0 0.3081 0 {} 0 0 0 88 {} 8.10865 0.01721 0.06141 ++ {0.0} {} {35.HA} 4.07817 0.13348 0.28221 ++ {0.0} {} {} 117.47101 0.67509 1.44814 ++ {0.0} {} 0.0 0.3407 0 {} 0 0 0 89 {} 8.15020 0.03682 0.05260 ++ {0.0} {} {32.HD2} 3.27246 0.12268 0.33486 ++ {0.0} {} {} 117.56287 0.61105 1.66717 ++ {0.0} {} 0.0 1.1117 0 {} 0 0 0 90 {} 8.10785 0.03728 0.06763 ++ {0.0} {} {35.HD2} 3.24004 0.15510 0.32690 ++ {0.0} {} {} 117.45430 0.69990 1.71492 ++ {0.0} {} 0.0 1.6229 0 {} 0 0 0 91 {} 8.15163 0.03372 0.07964 ++ {0.0} {} {32.HB2} 2.10638 0.14741 0.33082 ++ {0.0} {} {} 117.56680 0.59891 1.40041 ++ {0.0} {} 0.0 0.5240 0 {} 0 0 0 92 {} 8.10725 0.03418 0.07952 ++ {0.0} {} {35.HB2} 1.97920 0.14025 0.44077 ++ {0.0} {} {} 117.45634 0.71317 1.69190 ++ {0.0} {} 0.0 0.6237 0 {} 0 0 0 93 {} 8.15067 0.03610 0.06164 ++ {0.0} {} {32.HG2} 1.62299 0.12937 0.27490 ++ {0.0} {} {} 117.54915 0.59963 1.08449 ++ {0.0} {} 0.0 0.3137 0 {} 0 0 0 94 {} 7.62979 0.03835 0.08454 ++ {0.0} {} {19.HA} 4.20760 0.12052 0.31192 ++ {0.0} {} {} 116.32837 0.64103 1.61342 ++ {0.0} {} 0.0 0.7627 0 {} 0 0 0 95 {} 7.97857 0.03219 0.05764 ++ {0.0} {} {15.HA} 4.04038 0.12197 0.27374 ++ {0.0} {} {} 116.41852 0.85832 1.57127 ++ {0.0} {} 0.0 0.3563 0 {} 0 0 0 96 {} 7.98034 0.03217 0.08335 ++ {0.0} {} {15.HD2} 3.21833 0.13187 0.32898 ++ {0.0} {} {} 116.40749 0.77141 1.72072 ++ {0.0} {} 0.0 1.5325 0 {} 0 0 0 97 {} 7.63101 0.03795 0.09881 ++ {0.0} {} {19.HG2} 2.44367 0.16573 0.23676 ++ {0.0} {} {} 116.33124 0.64617 1.72367 ++ {0.0} {} 0.0 2.0743 0 {} 0 0 0 98 {} 7.21947 0.03912 0.00269 ++ {0.0} {} {} 2.43563 0.14057 0.00511 ++ {0.0} {} {} 116.36678 0.77074 0.02801 ++ {0.0} {} 0.0 0.0436 0 {} 0 0 0 99 {} 7.98034 0.03219 0.06631 ++ {0.0} {} {15.HB2} 2.00778 0.13420 0.32325 ++ {0.0} {} {} 116.41017 0.77913 1.63695 ++ {0.0} {} 0.0 0.5933 0 {} 0 0 0 100 {} 7.97975 0.03213 0.06095 ++ {0.0} {} {15.HG2} 1.69652 0.14475 0.45493 ++ {0.0} {} {} 116.41486 0.79854 1.57214 ++ {0.0} {} 0.0 0.4112 0 {} 0 0 0 101 {} 8.30364 0.03663 0.08599 ++ {0.0} {} {21.HA} 4.41846 0.12580 0.31143 ++ {0.0} {} {} 116.18044 0.60047 1.56898 ++ {0.0} {} 0.0 0.7697 0 {} 0 0 0 102 {} 7.51963 0.03251 0.06674 ++ {0.0} {} {16.HA} 4.47268 0.11664 0.29915 ++ {0.0} {} {} 116.05277 0.72133 1.63893 ++ {0.0} {} 0.0 0.6063 0 {} 0 0 0 103 {} 7.51924 0.03257 0.06948 ++ {0.0} {} {16.HB3} 3.28664 0.05312 0.30335 ++ {0.0} {} {} 116.05601 0.71454 1.63650 ++ {0.0} {} 0.0 0.6130 0 {} 0 0 0 104 {} 7.51910 0.03248 0.07010 ++ {0.0} {} {16.HB2} 3.05263 0.16889 0.28359 ++ {0.0} {} {} 116.05132 0.72185 1.66180 ++ {0.0} {} 0.0 0.7245 0 {} 0 0 0 105 {} 7.37996 0.02882 0.00384 ++ {0.0} {} {} 2.43495 0.09281 0.01244 ++ {0.0} {} {} 116.04205 1.23189 0.07638 ++ {0.0} {} 0.0 0.0442 0 {} 0 0 0 106 {} 8.30326 0.03579 0.10071 ++ {0.0} {} {21.HG2} 2.38504 0.13869 0.32182 ++ {0.0} {} {} 116.17563 0.60449 1.80528 ++ {0.0} {} 0.0 2.4229 0 {} 0 0 0 107 {} 7.54474 0.03601 0.08337 ++ {0.0} {} {17.HA} 4.06610 0.11881 0.31733 ++ {0.0} {} {} 115.68666 0.62367 1.62869 ++ {0.0} {} 0.0 0.7995 0 {} 0 0 0 108 {} 7.54533 0.03586 0.08788 ++ {0.0} {} {17.HG2} 2.42022 0.10597 0.33304 ++ {0.0} {} {} 115.69638 0.61999 1.69750 ++ {0.0} {} 0.0 1.2831 0 {} 0 0 0 109 {} 7.40506 0.02633 0.03899 ++ {0.0} {} {} 4.41867 0.12891 0.21780 ++ {0.0} {} {} 112.16725 0.82152 1.46423 ++ {0.0} {} 0.0 0.1959 0 {} 0 0 0 110 {} 7.40535 0.02735 0.04269 ++ {0.0} {} {} 2.38273 0.14773 0.26031 ++ {0.0} {} {} 112.14719 0.78588 1.45185 ++ {0.0} {} 0.0 0.2144 0 {} 0 0 0 111 {} 6.64515 0.03005 0.03881 ++ {0.0} {} {} 4.41718 0.12685 0.17837 ++ {0.0} {} {} 111.99994 0.65516 0.92125 ++ {0.0} {} 0.0 0.1442 0 {} 0 0 0 112 {} 7.52872 0.03349 0.05760 ++ {0.0} {} {} 4.36311 0.26336 0.36872 ++ {0.0} {} {} 111.77127 1.06570 1.74279 ++ {0.0} {} 0.0 0.2766 0 {} 0 0 0 113 {} 7.65730 0.02973 0.03912 ++ {0.0} {} {} 4.16764 0.13523 0.18888 ++ {0.0} {} {} 112.00455 0.65715 0.91788 ++ {0.0} {} 0.0 0.1420 0 {} 0 0 0 114 {} 7.65627 0.02874 0.03147 ++ {0.0} {} {} 2.49670 0.26868 0.28653 ++ {0.0} {} {} 111.98794 0.76877 0.85059 ++ {0.0} {} 0.0 0.0958 0 {} 0 0 0 115 {} 7.53615 0.04308 0.09012 ++ {0.0} {} {} 2.36899 0.17912 0.33591 ++ {0.0} {} {} 111.59876 0.83086 1.82404 ++ {0.0} {} 0.0 0.5058 0 {} 0 0 0 116 {} 6.91468 0.02236 0.06727 ++ {0.0} {} {} 2.38583 0.20402 0.30971 ++ {0.0} {} {} 111.60415 0.85167 1.53386 ++ {0.0} {} 0.0 0.1857 0 {} 0 0 0 117 {} 6.64629 0.02952 0.04027 ++ {0.0} {} {} 2.38283 0.14922 0.24659 ++ {0.0} {} {} 111.99072 0.70249 1.13206 ++ {0.0} {} 0.0 0.1758 0 {} 0 0 0 118 {} 6.91963 0.03662 0.04951 ++ {0.0} {} {} 4.00353 0.22065 0.30250 ++ {0.0} {} {} 111.41763 0.85211 1.34844 ++ {0.0} {} 0.0 0.1635 0 {} 0 0 0 119 {} 6.82264 0.04395 0.07091 ++ {0.0} {} {} 2.40449 0.15769 0.33125 ++ {0.0} {} {} 111.39504 1.23304 2.12473 ++ {0.0} {} 0.0 0.3453 0 {} 0 0 0 120 {} 7.57921 0.03462 0.04946 ++ {0.0} {} {} 4.16014 0.19845 0.32115 ++ {0.0} {} {} 111.10190 0.72301 1.34460 ++ {0.0} {} 0.0 0.2195 0 {} 0 0 0 121 {} 6.88050 0.03426 0.04894 ++ {0.0} {} {} 4.19103 0.14016 0.24145 ++ {0.0} {} {} 111.06911 0.70417 1.14451 ++ {0.0} {} 0.0 0.1858 0 {} 0 0 0 122 {} 6.81347 0.03417 0.05937 ++ {0.0} {} {} 4.15162 0.18133 0.36877 ++ {0.0} {} {} 110.95668 0.93600 1.74050 ++ {0.0} {} 0.0 0.3546 0 {} 0 0 0 123 {} 6.60900 0.02933 0.04534 ++ {0.0} {} {} 4.18925 0.15101 0.25684 ++ {0.0} {} {} 110.90701 0.94358 1.43739 ++ {0.0} {} 0.0 0.1869 0 {} 0 0 0 124 {} 6.60891 0.02632 0.03941 ++ {0.0} {} {} 2.20527 0.16876 0.25086 ++ {0.0} {} {} 110.89874 0.91279 1.35838 ++ {0.0} {} 0.0 0.1623 0 {} 0 0 0 125 {} 8.49287 0.05065 0.03033 ++ {0.0} {} {} 4.30377 0.11254 0.04970 ++ {0.0} {} {} 110.41261 0.88930 0.39377 ++ {0.0} {} 0.0 0.0550 0 {} 0 0 0 126 {} 7.38493 0.02654 0.03956 ++ {0.0} {} {} 4.07049 0.12439 0.20436 ++ {0.0} {} {} 110.51478 0.84117 1.46930 ++ {0.0} {} 0.0 0.1963 0 {} 0 0 0 127 {} 6.69029 0.02777 0.04028 ++ {0.0} {} {} 4.06689 0.12141 0.17908 ++ {0.0} {} {} 110.41494 0.95877 1.39571 ++ {0.0} {} 0.0 0.1631 0 {} 0 0 0 128 {} 7.38327 0.02617 0.03172 ++ {0.0} {} {} 2.41920 0.10378 0.26794 ++ {0.0} {} {} 110.52448 0.79556 0.99009 ++ {0.0} {} 0.0 0.1134 0 {} 0 0 0 129 {} 6.68918 0.02814 0.02818 ++ {0.0} {} {} 2.42712 0.11014 0.24256 ++ {0.0} {} {} 110.41293 0.93762 0.93917 ++ {0.0} {} 0.0 0.0858 0 {} 0 0 0 130 {} 8.49543 0.04814 0.07598 ++ {0.0} {} {} 2.37278 0.15540 0.24927 ++ {0.0} {} {} 110.40405 0.82463 1.30916 ++ {0.0} {} 0.0 0.1805 0 {} 0 0 0 131 {} 7.45892 0.02832 0.03644 ++ {0.0} {} {} 3.75517 0.15816 0.20640 ++ {0.0} {} {} 110.08125 0.74953 0.96029 ++ {0.0} {} 0.0 0.1191 0 {} 0 0 0 132 {} 6.80343 0.02772 0.03176 ++ {0.0} {} {} 3.75223 0.15264 0.18043 ++ {0.0} {} {} 110.02658 0.80871 0.94960 ++ {0.0} {} 0.0 0.1037 0 {} 0 0 0 133 {} 7.45826 0.02826 0.03701 ++ {0.0} {} {} 2.36890 0.15379 0.19946 ++ {0.0} {} {} 110.12130 0.71843 0.91541 ++ {0.0} {} 0.0 0.1180 0 {} 0 0 0 134 {} 7.49567 0.02606 0.02936 ++ {0.0} {} {} 3.82824 0.14516 0.16786 ++ {0.0} {} {} 109.71439 0.70120 0.81084 ++ {0.0} {} 0.0 0.1015 0 {} 0 0 0 135 {} 6.76162 0.02950 0.03267 ++ {0.0} {} {} 3.83319 0.16375 0.18251 ++ {0.0} {} {} 109.60461 0.76970 0.86261 ++ {0.0} {} 0.0 0.0974 0 {} 0 0 0 136 {} 6.75989 0.02622 0.01882 ++ {0.0} {} {} 2.52557 0.11284 0.18734 ++ {0.0} {} {} 109.60324 0.81389 0.48765 ++ {0.0} {} 0.0 0.0611 0 {} 0 0 0 137 {} 6.48792 0.04106 0.05204 ++ {0.0} {} {} 3.74937 0.15531 0.22107 ++ {0.0} {} {} 109.23826 0.64662 0.88637 ++ {0.0} {} 0.0 0.1361 0 {} 0 0 0 138 {} 6.48809 0.03365 0.03089 ++ {0.0} {} {} 2.13054 0.17809 0.15631 ++ {0.0} {} {} 109.19096 0.70175 0.61591 ++ {0.0} {} 0.0 0.0763 0 {} 0 0 0 139 {} 6.48621 0.04410 0.03796 ++ {0.0} {} {} 1.89411 0.11441 0.09115 ++ {0.0} {} {} 109.23355 0.66996 0.53375 ++ {0.0} {} 0.0 0.0712 0 {} 0 0 0 140 {} 8.19680 0.03872 0.08199 ++ {0.0} {} {41.HA} 4.19134 0.13935 0.31567 ++ {0.0} {} {} 108.71527 0.65644 1.70680 ++ {0.0} {} 0.0 0.7537 0 {} 0 0 0 141 {} 8.19785 0.03870 0.09440 ++ {0.0} {} {41.HG2} 2.20656 0.16126 0.32707 ++ {0.0} {} {} 108.71603 0.64075 1.80118 ++ {0.0} {} 0.0 2.1268 0 {} 0 0 0 142 {} 8.03599 0.02009 0.04101 ++ {0.0} {} {} 2.21258 0.15788 0.14425 ++ {0.0} {} {} 108.74487 0.69329 0.63342 ++ {0.0} {} 0.0 0.0788 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN 3 . 3002.602 Hz . . . 4.782 . . 30869 2 2 . . C 13 C-aliphatic . . 9649.478 Hz . . . 46.068 . . 30869 2 3 . . N 15 N 1 . 18000 Hz . . . 120.150 . . 30869 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30869 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D H(CCO)NH' _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 ; Used to assign side chain H; Accessed via the Ponderosa Web client: Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH; Lee W, Stark JL, Markley JL. (2014) PONDEROSA-C/S: Client-server based software package for automated protein 3D structure determination. Journal of Biomolecular NMR 60(2-3):73-5 ; _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; label dataset sw sf H1 N15 hsqc.nv 4194.63085937 1800.0 599.619018555 60.7659988403 H1.L H1.P H1.W H1.B H1.E H1.J H1.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {44.H} 8.04806 0.02925 0.06492 ++ {0.0} {i.h} {44.N} 126.80151 0.17633 0.46245 ++ {0.0} {i.n} 0.0 0.6620 1 {} 0 0 0 1 {4.H} 8.42189 0.06169 0.06296 ++ {0.0} {i.h} {4.N} 122.89524 0.38256 0.39018 ++ {0.0} {i.n} 0.0 0.0518 1 {} 0 0 0 2 {9.H} 8.06073 0.03490 0.07651 ++ {0.0} {i.h} {9.N} 122.26859 0.21657 0.62638 ++ {0.0} {i.n} 0.0 0.3417 1 {} 0 0 0 3 {26.H} 8.79405 0.03416 0.08367 ++ {0.0} {i.h} {26.N} 121.95118 0.20027 0.48346 ++ {0.0} {i.n} 0.0 0.4279 1 {} 0 0 0 4 {34.H} 8.53518 0.03476 0.08398 ++ {0.0} {i.h} {34.N} 121.70480 0.19312 0.48783 ++ {0.0} {i.n} 0.0 0.3836 1 {} 0 0 0 5 {30.H} 8.60620 0.03470 0.08792 ++ {0.0} {i.h} {30.N} 121.34141 0.28685 0.69173 ++ {0.0} {i.n} 0.0 0.3945 1 {} 0 0 0 6 {12.H} 8.31033 0.03666 0.08978 ++ {0.0} {i.h} {12.N} 121.29547 0.28882 0.70771 ++ {0.0} {i.n} 0.0 0.3682 1 {} 0 0 0 7 {32.H} 7.86088 0.03427 0.07483 ++ {0.0} {i.h} {32.N} 121.18997 0.27077 0.58828 ++ {0.0} {i.n} 0.0 0.4481 1 {} 0 0 0 8 {29.H} 8.10280 0.03160 0.08210 ++ {0.0} {i.h} {29.N} 120.65827 0.29158 0.73011 ++ {0.0} {i.n} 0.0 0.3764 1 {} 0 0 0 9 {21.H} 8.51658 0.04932 0.08813 ++ {0.0} {i.h} {21.N} 120.23901 0.33146 0.55310 ++ {0.0} {i.n} 0.0 0.1287 1 {} 0 0 0 10 {43.H} 7.96081 0.03884 0.09274 ++ {0.0} {i.h} {43.N} 120.16446 0.29444 0.74606 ++ {0.0} {i.n} 0.0 0.3533 1 {} 0 0 0 11 {35.H} 8.27451 0.03531 0.10485 ++ {0.0} {i.h} {35.N} 119.97587 0.20182 0.80373 ++ {0.0} {i.n} 0.0 0.3981 1 {} 0 0 0 12 {27.H} 8.14502 0.03595 0.18787 ++ {0.0} {i.h} {27.N} 119.77935 0.29465 0.62248 ++ {0.0} {i.n} 0.0 0.4866 1 {} 0 0 0 13 {31.H} 8.40729 0.03399 0.08179 ++ {0.0} {i.h} {31.N} 119.69586 0.24046 0.56832 ++ {0.0} {i.n} 0.0 0.4639 1 {} 0 0 0 14 {7.H} 8.00056 0.03634 0.17284 ++ {0.0} {i.h} {7.N} 119.56908 0.28903 1.04139 ++ {0.0} {i.n} 0.0 0.5057 1 {} 0 0 0 15 {14.H} 7.89502 0.03531 0.08971 ++ {0.0} {i.h} {14.N} 119.35070 0.27976 0.76389 ++ {0.0} {i.n} 0.0 0.4580 1 {} 0 0 0 16 {38.H} 8.12471 0.03706 0.19765 ++ {0.0} {i.h} {38.N} 119.25918 0.35189 1.23930 ++ {0.0} {i.n} 0.0 0.8658 1 {} 0 0 0 17 {25.H} 7.48126 0.03289 0.07432 ++ {0.0} {i.h} {25.N} 119.15392 0.20402 0.64641 ++ {0.0} {i.n} 0.0 0.3688 1 {} 0 0 0 18 {8.H} 8.25223 0.04050 0.15501 ++ {0.0} {i.h} {8.N} 118.89731 0.26681 0.71632 ++ {0.0} {i.n} 0.0 0.2921 1 {} 0 0 0 19 {41.H} 8.00793 0.03928 0.12775 ++ {0.0} {i.h} {41.N} 118.88293 0.31561 1.04139 ++ {0.0} {i.n} 0.0 0.3580 1 {} 0 0 0 20 {37.H} 7.81473 0.04734 0.06763 ++ {0.0} {i.h} {37.N} 118.84504 0.24825 0.70449 ++ {0.0} {i.n} 0.0 0.4183 1 {} 0 0 0 21 {6.H} 8.52155 0.03944 0.10286 ++ {0.0} {i.h} {6.N} 118.76390 0.30523 0.67446 ++ {0.0} {i.n} 0.0 0.3184 1 {} 0 0 0 22 {13.H} 8.37605 0.03119 0.08130 ++ {0.0} {i.h} {13.N} 118.79523 0.20730 0.50651 ++ {0.0} {i.n} 0.0 0.3925 1 {} 0 0 0 23 {28.H} 7.85348 0.04734 0.06763 ++ {0.0} {i.h} {28.N} 118.75468 0.28846 0.75330 ++ {0.0} {i.n} 0.0 0.5319 1 {} 0 0 0 24 {40.H} 7.97128 0.03636 0.08302 ++ {0.0} {i.h} {40.N} 118.29877 0.28669 0.67342 ++ {0.0} {i.n} 0.0 0.4201 1 {} 0 0 0 25 {19.H} 8.26832 0.03681 0.09674 ++ {0.0} {i.h} {19.N} 117.94422 0.27979 0.63576 ++ {0.0} {i.n} 0.0 0.4201 1 {} 0 0 0 26 {24.H} 8.75837 0.04646 0.07347 ++ {0.0} {i.h} {24.N} 117.82935 0.34665 0.50993 ++ {0.0} {i.n} 0.0 0.1027 1 {} 0 0 0 27 {33.H} 8.14382 0.03682 0.05260 ++ {0.0} {i.h} {33.N} 117.58719 0.27942 0.64891 ++ {0.0} {i.n} 0.0 0.4444 1 {} 0 0 0 28 {36.H} 8.10264 0.05663 0.08089 ++ {0.0} {i.h} {36.N} 117.49252 0.26243 0.64115 ++ {0.0} {i.n} 0.0 0.4829 1 {} 0 0 0 29 {16.H} 7.97579 0.03332 0.07870 ++ {0.0} {i.h} {16.N} 116.41492 0.22667 0.49798 ++ {0.0} {i.n} 0.0 0.4179 1 {} 0 0 0 30 {20.H} 7.62800 0.03891 0.08809 ++ {0.0} {i.h} {20.N} 116.32104 0.29119 0.64864 ++ {0.0} {i.n} 0.0 0.3795 1 {} 0 0 0 31 {22.H} 8.29970 0.03719 0.08135 ++ {0.0} {i.h} {22.N} 116.20287 0.29611 0.62703 ++ {0.0} {i.n} 0.0 0.3220 1 {} 0 0 0 32 {17.H} 7.51437 0.03275 0.07356 ++ {0.0} {i.h} {17.N} 116.08622 0.27884 0.60121 ++ {0.0} {i.n} 0.0 0.4379 1 {} 0 0 0 33 {18.H} 7.53971 0.03680 0.08511 ++ {0.0} {i.h} {18.N} 115.72531 0.24081 0.60359 ++ {0.0} {i.n} 0.0 0.4296 1 {} 0 0 0 34 {42.H} 8.19286 0.04365 0.08763 ++ {0.0} {i.h} {42.N} 108.75311 0.23469 0.49390 ++ {0.0} {i.n} 0.0 0.1914 1 {} 0 0 0 35 {3.H} 8.36325 0.03666 0.08978 ++ {0.0} {i.h} {3.N} 120.44963 0.28882 0.70771 ++ {0.0} {i.n} 0.0 0.3682 0 {} 0 0 0 36 {} 8.16578 0.03160 0.08210 ++ {0.0} {i.h} {} 120.59325 0.29158 0.73011 ++ {0.0} {i.n} 0.0 0.3764 -1 {} 0 0 0 37 {15.H} 8.02344 0.03634 0.17284 ++ {0.0} {i.h} {15.N} 119.51119 0.28903 1.04139 ++ {0.0} {i.n} 0.0 0.5057 0 {} 0 0 0 38 {} 8.13475 0.03706 0.19765 ++ {0.0} {i.h} {} 119.20891 0.35189 1.23930 ++ {0.0} {i.n} 0.0 0.8658 -1 {} 0 0 0 39 {39.H} 8.12471 0.03706 0.19765 ++ {0.0} {i.h} {39.N} 119.25918 0.35189 1.23930 ++ {0.0} {i.n} 0.0 0.8658 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN 3 . 3002.602 Hz . . . 4.782 . . 30869 3 2 . . H 1 H-aliphatic . . 6595.774 Hz . . . 4.782 . . 30869 3 3 . . N 15 N 1 . 1800.000 Hz . . . 120.150 . . 30869 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 30869 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _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 'Carbon mother-NOESY. Includes both aliphatic and aromatic CH. Peaks may be aliased multiple times' _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 hn_co_S.nv 3002.60205078 3770.10009766 1800.0 599.619018555 150.798995972 60.7659988403 H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 8.09959 0.02630 0.03757 ++ {0.0} {} {} 175.45752 0.51274 0.99741 ++ {0.0} {} {} 127.01932 0.69910 1.46424 ++ {0.0} {} 0.0 1.2074 0 {} 0 0 0 1 {} 7.89861 0.04094 0.02944 ++ {0.0} {} {} 175.43709 0.55319 0.36830 ++ {0.0} {} {} 126.75322 0.65319 0.43488 ++ {0.0} {} 0.0 0.2368 0 {} 0 0 0 2 {} 8.05347 0.03185 0.08606 ++ {0.0} {} {} 175.34999 0.54057 1.47708 ++ {0.0} {} {} 126.75064 0.65644 1.77245 ++ {0.0} {} 0.0 9.1065 0 {} 0 0 0 3 {} 7.97425 0.03973 0.03133 ++ {0.0} {} {} 175.31328 0.60467 0.49041 ++ {0.0} {} {} 126.78046 0.68136 0.55260 ++ {0.0} {} 0.0 0.2657 0 {} 0 0 0 4 {} 8.43014 0.04222 0.09090 ++ {0.0} {} {} 175.40605 0.50814 0.98759 ++ {0.0} {} {} 122.89153 0.75161 1.47317 ++ {0.0} {} 0.0 1.2525 0 {} 0 0 0 5 {} 8.32433 0.03166 0.03351 ++ {0.0} {} {} 175.34212 0.56725 0.14505 ++ {0.0} {} {} 123.08167 0.64575 0.16513 ++ {0.0} {} 0.0 0.1811 0 {} 0 0 0 6 {} 8.07243 0.03227 0.07882 ++ {0.0} {} {} 178.08257 0.55241 1.43132 ++ {0.0} {} {} 122.23553 0.54550 1.09932 ++ {0.0} {} 0.0 2.8706 0 {} 0 0 0 7 {} 8.80087 0.03244 0.09061 ++ {0.0} {} {} 180.20985 0.55480 1.42746 ++ {0.0} {} {} 121.95137 0.72534 1.65819 ++ {0.0} {} 0.0 4.4771 0 {} 0 0 0 8 {} 8.53849 0.03294 0.08562 ++ {0.0} {} {} 178.02858 0.61582 1.46580 ++ {0.0} {} {} 121.64311 0.65124 1.66969 ++ {0.0} {} 0.0 4.1541 0 {} 0 0 0 9 {} 7.86938 0.03280 0.08004 ++ {0.0} {} {} 179.14624 0.70970 1.47352 ++ {0.0} {} {} 121.14749 0.68458 1.65111 ++ {0.0} {} 0.0 4.5850 0 {} 0 0 0 10 {} 8.31355 0.03275 0.06715 ++ {0.0} {} {} 178.26321 0.56492 1.41799 ++ {0.0} {} {} 121.27566 0.96203 2.01947 ++ {0.0} {} 0.0 2.7126 0 {} 0 0 0 11 {} 8.61336 0.03313 0.08730 ++ {0.0} {} {} 176.76236 0.81312 1.40146 ++ {0.0} {} {} 121.29400 0.58005 1.56408 ++ {0.0} {} 0.0 3.8808 0 {} 0 0 0 12 {} 8.36526 0.07462 0.07474 ++ {0.0} {} {} 176.48901 0.89448 0.89700 ++ {0.0} {} {} 121.01952 1.08232 1.08509 ++ {0.0} {} 0.0 0.3167 0 {} 0 0 0 13 {} 8.18889 0.07171 0.02136 ++ {0.0} {} {} 175.90704 1.20180 0.18359 ++ {0.0} {} {} 121.14787 1.14209 0.20483 ++ {0.0} {} 0.0 0.1742 0 {} 0 0 0 14 {} 8.11265 0.02943 0.06574 ++ {0.0} {} {} 178.42267 0.60623 1.46451 ++ {0.0} {} {} 120.63083 0.80208 1.80395 ++ {0.0} {} 0.0 4.1512 0 {} 0 0 0 15 {} 8.16555 0.04413 0.05404 ++ {0.0} {} {} 173.93002 0.57921 0.68547 ++ {0.0} {} {} 120.60312 0.82893 0.98505 ++ {0.0} {} 0.0 0.3869 0 {} 0 0 0 16 {} 8.27898 0.03277 0.08834 ++ {0.0} {} {} 178.07683 0.55969 1.47459 ++ {0.0} {} {} 119.96769 0.56645 1.44671 ++ {0.0} {} 0.0 3.6094 0 {} 0 0 0 17 {} 8.52528 0.03939 0.09063 ++ {0.0} {} {} 175.67857 0.62411 1.39849 ++ {0.0} {} {} 120.20876 0.71675 1.60136 ++ {0.0} {} 0.0 2.2932 0 {} 0 0 0 18 {} 7.96859 0.03012 0.07459 ++ {0.0} {} {} 174.06607 0.70524 1.47595 ++ {0.0} {} {} 120.15855 0.80007 1.69181 ++ {0.0} {} 0.0 5.7104 0 {} 0 0 0 19 {} 8.41442 0.03240 0.08200 ++ {0.0} {} {} 179.02068 0.54158 1.45288 ++ {0.0} {} {} 119.69432 0.80401 1.68592 ++ {0.0} {} 0.0 4.5798 0 {} 0 0 0 20 {} 8.00751 0.03308 0.08883 ++ {0.0} {} {} 178.85341 0.56016 0.80023 ++ {0.0} {} {} 119.57552 0.63336 1.61509 ++ {0.0} {} 0.0 4.3333 0 {} 0 0 0 21 {} 8.15152 0.03260 0.07755 ++ {0.0} {} {} 178.35919 0.88698 1.26712 ++ {0.0} {} {} 119.64016 0.88585 1.95559 ++ {0.0} {} 0.0 6.5347 0 {} 0 0 0 22 {} 8.03001 0.02948 0.07480 ++ {0.0} {} {} 177.55144 0.67876 0.96966 ++ {0.0} {} {} 119.67480 0.83075 1.80707 ++ {0.0} {} 0.0 4.5950 0 {} 0 0 0 23 {} 7.89948 0.03785 0.13582 ++ {0.0} {} {} 178.97928 0.51729 1.41221 ++ {0.0} {} {} 119.26237 0.89161 1.75815 ++ {0.0} {} 0.0 4.3345 0 {} 0 0 0 24 {} 7.48921 0.03283 0.07735 ++ {0.0} {} {} 179.24994 0.56023 1.46524 ++ {0.0} {} {} 119.16677 0.70990 1.64614 ++ {0.0} {} 0.0 3.9723 0 {} 0 0 0 25 {} 8.10930 0.03682 0.05260 ++ {0.0} {} {} 178.78476 0.73405 1.52276 ++ {0.0} {} {} 119.02467 0.54857 1.52738 ++ {0.0} {} 0.0 4.4208 0 {} 0 0 0 26 {} 8.13025 0.03388 0.15781 ++ {0.0} {} {} 177.31779 0.55687 1.54771 ++ {0.0} {} {} 119.21227 0.79939 1.70262 ++ {0.0} {} 0.0 7.1488 0 {} 0 0 0 27 {} 8.26689 0.03470 0.07683 ++ {0.0} {} {} 179.08539 0.62865 1.43359 ++ {0.0} {} {} 118.89024 0.62607 1.61014 ++ {0.0} {} 0.0 3.1233 0 {} 0 0 0 28 {} 7.86375 0.03343 0.07357 ++ {0.0} {} {} 179.08588 0.62545 1.47523 ++ {0.0} {} {} 118.74670 0.80269 1.69965 ++ {0.0} {} 0.0 5.0250 0 {} 0 0 0 29 {} 8.53015 0.03542 0.08863 ++ {0.0} {} {} 178.83786 0.58145 1.47607 ++ {0.0} {} {} 118.72668 0.76414 1.65687 ++ {0.0} {} 0.0 3.7275 0 {} 0 0 0 30 {} 7.82155 0.03343 0.07533 ++ {0.0} {} {} 177.67194 0.57149 1.46401 ++ {0.0} {} {} 118.79253 0.81863 1.67003 ++ {0.0} {} 0.0 3.7187 0 {} 0 0 0 31 {} 8.37941 0.03261 0.08199 ++ {0.0} {} {} 176.71890 0.59389 1.47099 ++ {0.0} {} {} 118.75858 0.79153 1.66024 ++ {0.0} {} 0.0 4.0653 0 {} 0 0 0 32 {} 7.97866 0.03361 0.08291 ++ {0.0} {} {} 178.08202 0.55376 1.46585 ++ {0.0} {} {} 118.29520 0.79950 1.68385 ++ {0.0} {} 0.0 4.8642 0 {} 0 0 0 33 {} 8.76535 0.03704 0.08432 ++ {0.0} {} {} 179.27478 0.53878 1.32642 ++ {0.0} {} {} 117.82840 0.78091 1.55321 ++ {0.0} {} 0.0 1.8805 0 {} 0 0 0 34 {} 8.27631 0.02990 0.08259 ++ {0.0} {} {} 177.61682 0.65975 1.45424 ++ {0.0} {} {} 117.90506 0.69989 1.66178 ++ {0.0} {} 0.0 3.6706 0 {} 0 0 0 35 {} 8.15457 0.02980 0.07954 ++ {0.0} {} {} 179.23714 0.58993 1.50277 ++ {0.0} {} {} 117.54632 0.60093 1.58915 ++ {0.0} {} 0.0 3.3619 0 {} 0 0 0 36 {} 8.11023 0.03210 0.09392 ++ {0.0} {} {} 178.62387 0.54674 1.48123 ++ {0.0} {} {} 117.44660 0.67632 1.74055 ++ {0.0} {} 0.0 4.3240 0 {} 0 0 0 37 {} 7.98250 0.03209 0.08671 ++ {0.0} {} {} 179.13040 0.71154 1.45719 ++ {0.0} {} {} 116.40760 0.74669 1.66027 ++ {0.0} {} 0.0 4.2472 0 {} 0 0 0 38 {} 7.63369 0.03777 0.09560 ++ {0.0} {} {} 176.41257 0.71020 1.45111 ++ {0.0} {} {} 116.34354 0.63064 1.55299 ++ {0.0} {} 0.0 3.4578 0 {} 0 0 0 39 {} 8.30661 0.03377 0.07730 ++ {0.0} {} {} 176.24960 0.51837 1.39679 ++ {0.0} {} {} 116.17812 0.58983 1.57687 ++ {0.0} {} 0.0 3.4342 0 {} 0 0 0 40 {} 7.52209 0.03270 0.07901 ++ {0.0} {} {} 176.09407 0.62619 1.48990 ++ {0.0} {} {} 116.06369 0.68172 1.66839 ++ {0.0} {} 0.0 4.2749 0 {} 0 0 0 41 {} 7.54819 0.03491 0.07917 ++ {0.0} {} {} 176.80891 0.73122 1.49815 ++ {0.0} {} {} 115.68266 0.60806 1.65201 ++ {0.0} {} 0.0 3.9671 0 {} 0 0 0 42 {} 7.40921 0.02551 0.02690 ++ {0.0} {} {} 180.33765 0.70495 0.74647 ++ {0.0} {} {} 111.99783 0.53979 0.57158 ++ {0.0} {} 0.0 0.3357 0 {} 0 0 0 43 {} 6.64923 0.02450 0.02401 ++ {0.0} {} {} 180.32635 0.71136 0.69203 ++ {0.0} {} {} 111.94224 0.58564 0.56972 ++ {0.0} {} 0.0 0.3076 0 {} 0 0 0 44 {} 7.66017 0.02481 0.02395 ++ {0.0} {} {} 179.96976 0.65420 0.62612 ++ {0.0} {} {} 111.89014 0.62033 0.59371 ++ {0.0} {} 0.0 0.3030 0 {} 0 0 0 45 {} 6.92228 0.04276 0.05010 ++ {0.0} {} {} 179.96806 0.70621 0.84660 ++ {0.0} {} {} 111.59487 0.53917 0.64635 ++ {0.0} {} 0.0 0.3943 0 {} 0 0 0 46 {} 7.53812 0.04375 0.07053 ++ {0.0} {} {} 180.25093 0.66545 1.32298 ++ {0.0} {} {} 111.32150 0.92652 1.49195 ++ {0.0} {} 0.0 1.0632 0 {} 0 0 0 47 {} 7.58125 0.02852 0.04103 ++ {0.0} {} {} 179.94838 0.72549 1.11152 ++ {0.0} {} {} 110.96603 0.65557 0.95952 ++ {0.0} {} 0.0 0.5891 0 {} 0 0 0 48 {} 6.81594 0.03760 0.05994 ++ {0.0} {} {} 180.03015 0.60399 1.07241 ++ {0.0} {} {} 110.94237 0.73378 1.26865 ++ {0.0} {} 0.0 0.7869 0 {} 0 0 0 49 {} 6.61286 0.02945 0.02843 ++ {0.0} {} {} 180.10123 0.51396 0.49198 ++ {0.0} {} {} 110.87103 0.69116 0.66160 ++ {0.0} {} 0.0 0.3030 0 {} 0 0 0 50 {} 7.38753 0.02259 0.02711 ++ {0.0} {} {} 179.96544 0.65995 0.80865 ++ {0.0} {} {} 110.43067 0.69949 0.85709 ++ {0.0} {} 0.0 0.4079 0 {} 0 0 0 51 {} 6.69278 0.02744 0.02942 ++ {0.0} {} {} 179.95103 0.69158 0.75414 ++ {0.0} {} {} 110.39428 0.66312 0.72310 ++ {0.0} {} 0.0 0.3474 0 {} 0 0 0 52 {} 8.49631 0.04441 0.01818 ++ {0.0} {} {} 176.46445 0.61249 0.15926 ++ {0.0} {} {} 110.39697 0.76708 0.19945 ++ {0.0} {} 0.0 0.1816 0 {} 0 0 0 53 {} 7.46169 0.02703 0.02940 ++ {0.0} {} {} 179.19664 0.63078 0.69847 ++ {0.0} {} {} 110.03698 0.63714 0.70552 ++ {0.0} {} 0.0 0.3539 0 {} 0 0 0 54 {} 7.50012 0.02580 0.02602 ++ {0.0} {} {} 179.12186 0.73003 0.73814 ++ {0.0} {} {} 109.60383 0.58296 0.58944 ++ {0.0} {} 0.0 0.3195 0 {} 0 0 0 55 {} 6.76337 0.02990 0.02625 ++ {0.0} {} {} 179.10176 0.66981 0.56336 ++ {0.0} {} {} 109.56191 0.64196 0.53994 ++ {0.0} {} 0.0 0.2726 0 {} 0 0 0 56 {} 6.49690 0.03025 0.03899 ++ {0.0} {} {} 179.12947 0.72326 1.01079 ++ {0.0} {} {} 109.26498 0.51555 0.70415 ++ {0.0} {} 0.0 0.4982 0 {} 0 0 0 57 {} 8.20112 0.03760 0.08843 ++ {0.0} {} {} 176.72664 0.60171 1.43466 ++ {0.0} {} {} 108.72169 0.61462 1.55950 ++ {0.0} {} 0.0 2.7342 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H 3 . 8409.613 Hz . . . 4.794 . . 30869 4 2 . . H 1 H . . 8798.944 Hz . . . 4.794 . . 30869 4 3 . . C 13 C 1 aliased 4828.002 Hz . . . 67.126 . . 30869 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 30869 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _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 ; Nitrogen NOESY; Accessed via the Ponderosa Web client: Lee W, Stark JL, Markley JL. (2014) PONDEROSA-C/S: Client-server based software package for automated protein 3D structure determination. Journal of Biomolecular NMR 60(2-3):73-5. ; _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 hn_cacb_S.nv 3002.60205078 9649.47851563 1800.0 599.619018555 150.779998779 60.7659988403 H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 8.05385 0.03059 0.02511 ++ {0.0} {} {} 31.11148 0.93632 0.68882 ++ {0.0} {} {} 129.27321 1.06916 1.52738 ++ {0.0} {} 0.0 0.0423 0 {} 0 0 0 1 {} 8.06046 0.02681 0.03807 ++ {0.0} {} {} 58.20374 0.73845 1.08133 ++ {0.0} {} {} 128.10316 0.38551 0.56451 ++ {0.0} {} 0.0 -0.0998 0 {} 0 0 0 2 {} 8.05860 0.02541 0.04171 ++ {0.0} {} {} 31.14080 0.86781 1.37678 ++ {0.0} {} {} 128.10631 0.32254 0.47113 ++ {0.0} {} 0.0 0.0992 0 {} 0 0 0 3 {} 7.97265 0.01776 0.02353 ++ {0.0} {} {} 58.21577 0.68481 0.35833 ++ {0.0} {} {} 126.89985 0.64256 0.33621 ++ {0.0} {} 0.0 0.0362 0 {} 0 0 0 4 {} 7.89014 0.02733 0.02811 ++ {0.0} {} {} 58.18722 0.84458 0.88131 ++ {0.0} {} {} 126.86792 0.62540 0.65260 ++ {0.0} {} 0.0 0.0559 0 {} 0 0 0 5 {} 7.97073 0.02897 0.01248 ++ {0.0} {} {} 31.03992 1.00533 0.42554 ++ {0.0} {} {} 126.96231 0.69131 0.29262 ++ {0.0} {} 0.0 -0.0339 0 {} 0 0 0 6 {} 8.05494 0.03179 0.08104 ++ {0.0} {} {} 58.19279 0.73920 1.90865 ++ {0.0} {} {} 126.76518 0.64752 1.90573 ++ {0.0} {} 0.0 2.8954 0 {} 0 0 0 7 {} 7.64988 0.03477 0.02733 ++ {0.0} {} {} 58.21645 0.71411 0.49076 ++ {0.0} {} {} 126.77705 0.63661 0.43750 ++ {0.0} {} 0.0 0.0407 0 {} 0 0 0 8 {} 8.05660 0.03183 0.03860 ++ {0.0} {} {} 56.97290 0.05090 0.06578 ++ {0.0} {} {} 126.75615 0.62956 0.81368 ++ {0.0} {} 0.0 -0.0756 0 {} 0 0 0 9 {} 8.05468 0.03180 0.07329 ++ {0.0} {} {} 55.92278 0.74346 1.87756 ++ {0.0} {} {} 126.76109 0.65294 1.78734 ++ {0.0} {} 0.0 1.1254 0 {} 0 0 0 10 {} 8.05379 0.03113 0.01717 ++ {0.0} {} {} 52.08495 1.36633 0.59989 ++ {0.0} {} {} 126.79299 0.58652 0.24835 ++ {0.0} {} 0.0 0.0339 0 {} 0 0 0 11 {} 8.05720 0.02846 0.02896 ++ {0.0} {} {} 38.21896 0.60903 0.62202 ++ {0.0} {} {} 126.79512 0.60818 0.62116 ++ {0.0} {} 0.0 0.0546 0 {} 0 0 0 12 {} 8.46111 0.02379 0.00253 ++ {0.0} {} {} 31.10278 0.92717 0.10298 ++ {0.0} {} {} 126.78393 0.64378 0.07151 ++ {0.0} {} 0.0 -0.0283 0 {} 0 0 0 13 {} 8.05479 0.03167 0.07777 ++ {0.0} {} {} 31.14409 1.02587 1.87280 ++ {0.0} {} {} 126.76265 0.64970 1.90901 ++ {0.0} {} 0.0 -3.0870 0 {} 0 0 0 14 {} 7.89265 0.03731 0.04007 ++ {0.0} {} {} 31.10845 0.93821 1.03585 ++ {0.0} {} {} 126.82474 0.57390 0.63362 ++ {0.0} {} 0.0 -0.0597 0 {} 0 0 0 15 {} 7.64954 0.02893 0.02248 ++ {0.0} {} {} 31.11903 0.92454 0.63984 ++ {0.0} {} {} 126.79100 0.61976 0.42892 ++ {0.0} {} 0.0 -0.0409 0 {} 0 0 0 16 {} 8.05342 0.03132 0.03691 ++ {0.0} {} {} 31.12150 0.87323 1.02831 ++ {0.0} {} {} 125.52309 0.04517 0.05319 ++ {0.0} {} 0.0 0.0650 0 {} 0 0 0 17 {} 8.07414 0.03173 0.03246 ++ {0.0} {} {} 59.70773 1.05740 1.07603 ++ {0.0} {} {} 123.48829 0.25024 0.25465 ++ {0.0} {} 0.0 -0.0544 0 {} 0 0 0 18 {} 8.07026 0.03505 0.01108 ++ {0.0} {} {} 37.85774 0.73421 0.26890 ++ {0.0} {} {} 123.51450 0.21298 0.07800 ++ {0.0} {} 0.0 0.0327 0 {} 0 0 0 19 {} 8.80639 0.02847 0.04223 ++ {0.0} {} {} 60.39480 0.72270 1.09705 ++ {0.0} {} {} 123.07835 0.13061 0.19827 ++ {0.0} {} 0.0 -0.1110 0 {} 0 0 0 20 {} 8.54861 0.01876 0.01933 ++ {0.0} {} {} 59.97040 0.76409 0.79147 ++ {0.0} {} {} 122.90502 0.75333 0.78033 ++ {0.0} {} 0.0 -0.0555 0 {} 0 0 0 21 {} 8.79538 0.02293 0.01300 ++ {0.0} {} {} 58.72945 0.70395 0.36969 ++ {0.0} {} {} 123.08876 0.15193 0.07979 ++ {0.0} {} 0.0 -0.0363 0 {} 0 0 0 22 {} 7.96706 0.02600 0.00758 ++ {0.0} {} {} 55.93992 0.83405 0.12092 ++ {0.0} {} {} 122.78975 0.77083 0.11176 ++ {0.0} {} 0.0 -0.0288 0 {} 0 0 0 23 {} 8.42803 0.03583 0.02020 ++ {0.0} {} {} 55.68169 0.79843 0.47641 ++ {0.0} {} {} 122.88791 0.91369 0.54518 ++ {0.0} {} 0.0 0.0381 0 {} 0 0 0 24 {} 8.42493 0.04668 0.06396 ++ {0.0} {} {} 52.74165 0.71108 0.93403 ++ {0.0} {} {} 122.89980 0.78722 1.04210 ++ {0.0} {} 0.0 0.0779 0 {} 0 0 0 25 {} 8.42772 0.05553 0.06786 ++ {0.0} {} {} 41.38798 0.69180 0.88674 ++ {0.0} {} {} 122.90849 0.83574 1.07577 ++ {0.0} {} 0.0 -0.0745 0 {} 0 0 0 26 {} 8.54596 0.02413 0.00706 ++ {0.0} {} {} 29.73650 0.80224 0.16709 ++ {0.0} {} {} 122.89971 0.59907 0.12478 ++ {0.0} {} 0.0 0.0298 0 {} 0 0 0 27 {} 8.42441 0.03648 0.00260 ++ {0.0} {} {} 29.57607 1.03519 0.06169 ++ {0.0} {} {} 122.85723 0.36236 0.04755 ++ {0.0} {} 0.0 -0.0276 0 {} 0 0 0 28 {} 8.80463 0.02749 0.03173 ++ {0.0} {} {} 28.45555 0.85568 1.00209 ++ {0.0} {} {} 123.08087 0.11362 0.13306 ++ {0.0} {} 0.0 0.0645 0 {} 0 0 0 29 {} 8.32043 0.02215 0.01346 ++ {0.0} {} {} 60.41909 0.82454 0.43880 ++ {0.0} {} {} 122.55485 0.27083 0.14413 ++ {0.0} {} 0.0 -0.0364 0 {} 0 0 0 30 {} 8.61915 0.02510 0.03100 ++ {0.0} {} {} 59.78275 0.66184 0.83205 ++ {0.0} {} {} 122.56974 0.21089 0.26512 ++ {0.0} {} 0.0 -0.0720 0 {} 0 0 0 31 {} 8.06756 0.03399 0.08082 ++ {0.0} {} {} 59.64252 1.28398 1.83425 ++ {0.0} {} {} 122.27971 0.57956 1.49591 ++ {0.0} {} 0.0 0.7703 0 {} 0 0 0 32 {} 8.06812 0.03328 0.07289 ++ {0.0} {} {} 37.83279 0.70709 1.86498 ++ {0.0} {} {} 122.28624 0.57313 1.26257 ++ {0.0} {} 0.0 -0.4076 0 {} 0 0 0 33 {} 8.31689 0.01940 0.00045 ++ {0.0} {} {} 36.53796 0.98197 0.02392 ++ {0.0} {} {} 122.57545 0.26088 0.00635 ++ {0.0} {} 0.0 0.0271 0 {} 0 0 0 34 {} 8.06945 0.03097 0.04897 ++ {0.0} {} {} 28.46204 0.85231 1.76112 ++ {0.0} {} {} 122.26534 0.53851 0.90782 ++ {0.0} {} 0.0 -0.1702 0 {} 0 0 0 35 {} 8.61698 0.02558 0.02196 ++ {0.0} {} {} 27.65957 0.84964 0.70199 ++ {0.0} {} {} 122.60044 0.17428 0.14400 ++ {0.0} {} 0.0 0.0456 0 {} 0 0 0 36 {} 8.80027 0.03183 0.09583 ++ {0.0} {} {} 60.36892 0.66885 1.91326 ++ {0.0} {} {} 121.95753 0.75229 1.70737 ++ {0.0} {} 0.0 1.2542 0 {} 0 0 0 37 {} 8.70896 0.02423 0.03171 ++ {0.0} {} {} 60.23133 0.84518 0.41086 ++ {0.0} {} {} 121.88045 0.73802 0.35876 ++ {0.0} {} 0.0 0.0353 0 {} 0 0 0 38 {} 7.87832 0.01998 0.02543 ++ {0.0} {} {} 60.08698 1.09918 1.53725 ++ {0.0} {} {} 122.21149 0.05677 0.07700 ++ {0.0} {} 0.0 -0.0831 0 {} 0 0 0 39 {} 8.80104 0.02952 0.06976 ++ {0.0} {} {} 58.73652 0.70578 1.88758 ++ {0.0} {} {} 121.94370 0.71222 1.60413 ++ {0.0} {} 0.0 0.4231 0 {} 0 0 0 40 {} 8.80060 0.03074 0.08177 ++ {0.0} {} {} 28.44113 0.86975 1.24250 ++ {0.0} {} {} 121.95884 0.75052 1.68042 ++ {0.0} {} 0.0 -0.8206 0 {} 0 0 0 41 {} 8.11869 0.01905 0.02102 ++ {0.0} {} {} 60.43706 0.71297 0.79786 ++ {0.0} {} {} 121.72512 0.06430 0.07196 ++ {0.0} {} 0.0 -0.0607 0 {} 0 0 0 42 {} 8.61369 0.03288 0.09267 ++ {0.0} {} {} 59.86661 0.83012 1.18589 ++ {0.0} {} {} 121.36576 0.59932 1.65074 ++ {0.0} {} 0.0 1.2106 0 {} 0 0 0 43 {} 8.54220 0.03341 0.09101 ++ {0.0} {} {} 59.95845 0.75737 1.85248 ++ {0.0} {} {} 121.66769 0.64508 1.74418 ++ {0.0} {} 0.0 1.1491 0 {} 0 0 0 44 {} 8.45610 0.02136 0.03225 ++ {0.0} {} {} 59.95578 0.85346 0.55354 ++ {0.0} {} {} 121.51870 1.10698 0.74666 ++ {0.0} {} 0.0 0.0396 0 {} 0 0 0 45 {} 8.11456 0.03388 0.03571 ++ {0.0} {} {} 58.68546 1.17378 1.24383 ++ {0.0} {} {} 121.75594 0.22563 0.24015 ++ {0.0} {} 0.0 -0.0572 0 {} 0 0 0 46 {} 8.54117 0.03078 0.07171 ++ {0.0} {} {} 57.07524 0.96255 1.88734 ++ {0.0} {} {} 121.65199 0.65655 1.67178 ++ {0.0} {} 0.0 0.3858 0 {} 0 0 0 47 {} 8.41576 0.02338 0.05077 ++ {0.0} {} {} 56.91766 0.45666 0.98890 ++ {0.0} {} {} 121.65114 0.68232 0.67162 ++ {0.0} {} 0.0 0.0527 0 {} 0 0 0 48 {} 8.54132 0.03013 0.05923 ++ {0.0} {} {} 36.59965 0.92500 1.79214 ++ {0.0} {} {} 121.65287 0.63815 1.46455 ++ {0.0} {} 0.0 -0.2984 0 {} 0 0 0 49 {} 8.11523 0.02798 0.01137 ++ {0.0} {} {} 35.34361 0.64095 0.22315 ++ {0.0} {} {} 121.73803 0.05064 0.01763 ++ {0.0} {} 0.0 0.0324 0 {} 0 0 0 50 {} 8.61486 0.03124 0.05938 ++ {0.0} {} {} 35.23132 0.71675 1.62440 ++ {0.0} {} {} 121.34937 0.57630 1.12246 ++ {0.0} {} 0.0 -0.2759 0 {} 0 0 0 51 {} 8.40111 0.04553 0.08401 ++ {0.0} {} {} 30.01545 0.99562 0.74574 ++ {0.0} {} {} 121.58808 0.88495 0.66285 ++ {0.0} {} 0.0 -0.0428 0 {} 0 0 0 52 {} 8.54202 0.02931 0.07876 ++ {0.0} {} {} 29.74641 0.75395 1.95149 ++ {0.0} {} {} 121.66599 0.91560 1.99018 ++ {0.0} {} 0.0 -0.6698 0 {} 0 0 0 53 {} 8.45939 0.02096 0.01169 ++ {0.0} {} {} 29.72817 0.84260 0.03928 ++ {0.0} {} {} 121.50642 1.36029 0.05860 ++ {0.0} {} 0.0 -0.0274 0 {} 0 0 0 54 {} 8.61355 0.03200 0.07452 ++ {0.0} {} {} 27.71107 0.78105 1.96364 ++ {0.0} {} {} 121.35696 0.58588 1.48336 ++ {0.0} {} 0.0 -0.6682 0 {} 0 0 0 55 {} 8.78964 0.01497 0.01398 ++ {0.0} {} {} 60.34790 0.66814 0.62411 ++ {0.0} {} {} 120.87141 0.04568 0.04267 ++ {0.0} {} 0.0 -0.0502 0 {} 0 0 0 56 {} 8.31775 0.03391 0.07695 ++ {0.0} {} {} 60.28771 1.01933 1.45619 ++ {0.0} {} {} 121.26700 0.97162 2.27209 ++ {0.0} {} 0.0 0.6404 0 {} 0 0 0 57 {} 7.86844 0.03262 0.11037 ++ {0.0} {} {} 60.05762 1.13929 1.84896 ++ {0.0} {} {} 121.14677 0.71704 1.74872 ++ {0.0} {} 0.0 1.3779 0 {} 0 0 0 58 {} 7.79080 0.02387 0.01714 ++ {0.0} {} {} 60.08258 1.15760 0.36163 ++ {0.0} {} {} 121.23331 0.64526 0.20073 ++ {0.0} {} 0.0 0.0317 0 {} 0 0 0 59 {} 7.70462 0.02454 0.00590 ++ {0.0} {} {} 60.10126 1.53372 0.15321 ++ {0.0} {} {} 121.11333 0.94109 0.11585 ++ {0.0} {} 0.0 0.0285 0 {} 0 0 0 60 {} 8.28288 0.02188 0.02254 ++ {0.0} {} {} 59.39674 0.55441 0.57968 ++ {0.0} {} {} 121.21222 0.10735 0.11224 ++ {0.0} {} 0.0 -0.0560 0 {} 0 0 0 61 {} 8.36758 0.09802 0.09043 ++ {0.0} {} {} 56.23487 0.48780 1.02001 ++ {0.0} {} {} 120.91570 0.84733 0.80537 ++ {0.0} {} 0.0 0.0510 0 {} 0 0 0 62 {} 7.97425 0.02821 0.03459 ++ {0.0} {} {} 55.91062 0.75638 0.96044 ++ {0.0} {} {} 121.26511 0.06542 0.08307 ++ {0.0} {} 0.0 -0.0732 0 {} 0 0 0 63 {} 8.59457 0.04114 0.03548 ++ {0.0} {} {} 55.73827 0.72271 0.57301 ++ {0.0} {} {} 121.11404 0.89773 0.71178 ++ {0.0} {} 0.0 0.0443 0 {} 0 0 0 64 {} 7.96689 0.03299 0.03154 ++ {0.0} {} {} 45.63046 0.87283 0.81004 ++ {0.0} {} {} 121.25882 0.06359 0.05902 ++ {0.0} {} 0.0 -0.0499 0 {} 0 0 0 65 {} 8.31720 0.02832 0.07103 ++ {0.0} {} {} 36.58722 0.98176 1.90604 ++ {0.0} {} {} 121.26749 0.58891 1.49336 ++ {0.0} {} 0.0 -0.4790 0 {} 0 0 0 66 {} 7.97336 0.02878 0.02961 ++ {0.0} {} {} 31.14685 0.84404 0.87613 ++ {0.0} {} {} 121.27024 0.06507 0.06754 ++ {0.0} {} 0.0 0.0556 0 {} 0 0 0 67 {} 8.28274 0.01944 0.01435 ++ {0.0} {} {} 30.01700 0.83159 0.61942 ++ {0.0} {} {} 121.20380 0.12241 0.09118 ++ {0.0} {} 0.0 0.0426 0 {} 0 0 0 68 {} 7.86847 0.03230 0.07829 ++ {0.0} {} {} 29.37757 0.80557 2.13297 ++ {0.0} {} {} 121.15452 0.70610 1.73239 ++ {0.0} {} 0.0 -0.6657 0 {} 0 0 0 69 {} 8.79197 0.02311 0.00452 ++ {0.0} {} {} 28.49847 0.92198 0.10936 ++ {0.0} {} {} 120.87042 0.03979 0.00472 ++ {0.0} {} 0.0 0.0284 0 {} 0 0 0 70 {} 8.53392 0.02050 0.01501 ++ {0.0} {} {} 59.94286 0.70437 0.52475 ++ {0.0} {} {} 120.46507 0.10593 0.07891 ++ {0.0} {} 0.0 -0.0426 0 {} 0 0 0 71 {} 8.01081 0.02551 0.03963 ++ {0.0} {} {} 59.49213 0.86641 1.48396 ++ {0.0} {} {} 120.74566 0.16573 0.25680 ++ {0.0} {} 0.0 -0.1187 0 {} 0 0 0 72 {} 8.42241 0.02537 0.03814 ++ {0.0} {} {} 59.12141 0.89244 1.53834 ++ {0.0} {} {} 120.78544 0.09162 0.14289 ++ {0.0} {} 0.0 -0.1215 0 {} 0 0 0 73 {} 8.04068 0.03180 0.04194 ++ {0.0} {} {} 58.79419 0.65391 0.92278 ++ {0.0} {} {} 120.77684 0.09399 0.13263 ++ {0.0} {} 0.0 -0.0908 0 {} 0 0 0 74 {} 8.28592 0.03682 0.05260 ++ {0.0} {} {} 56.31289 0.72625 0.30296 ++ {0.0} {} {} 120.46049 0.83650 0.34895 ++ {0.0} {} 0.0 0.0338 0 {} 0 0 0 75 {} 8.16747 0.07632 0.09055 ++ {0.0} {} {} 56.00197 0.87461 1.15322 ++ {0.0} {} {} 120.57903 1.05773 1.36733 ++ {0.0} {} 0.0 0.0759 0 {} 0 0 0 76 {} 8.16251 0.04865 0.04521 ++ {0.0} {} {} 45.46402 0.71334 0.66888 ++ {0.0} {} {} 120.61378 0.97618 0.91284 ++ {0.0} {} 0.0 0.0503 0 {} 0 0 0 77 {} 8.11065 0.03066 0.07173 ++ {0.0} {} {} 35.23638 0.75070 1.99777 ++ {0.0} {} {} 120.64229 0.78997 1.69329 ++ {0.0} {} 0.0 -0.7317 0 {} 0 0 0 78 {} 8.15282 0.04022 0.02194 ++ {0.0} {} {} 30.02658 0.62669 0.42613 ++ {0.0} {} {} 120.82498 0.04543 0.03089 ++ {0.0} {} 0.0 0.0405 0 {} 0 0 0 79 {} 8.00967 0.02775 0.04023 ++ {0.0} {} {} 29.41988 0.78960 1.08443 ++ {0.0} {} {} 120.75320 0.14971 0.20561 ++ {0.0} {} 0.0 0.0854 0 {} 0 0 0 80 {} 8.41916 0.02388 0.02891 ++ {0.0} {} {} 28.33610 0.68141 0.84023 ++ {0.0} {} {} 120.79966 0.07484 0.09228 ++ {0.0} {} 0.0 0.0697 0 {} 0 0 0 81 {} 8.03733 0.03096 0.03526 ++ {0.0} {} {} 28.59104 1.12922 1.32393 ++ {0.0} {} {} 120.76917 0.09375 0.11135 ++ {0.0} {} 0.0 0.0658 0 {} 0 0 0 82 {} 8.28149 0.03103 0.18787 ++ {0.0} {} {} 59.50764 0.99867 1.42668 ++ {0.0} {} {} 119.98080 0.60441 1.71935 ++ {0.0} {} 0.0 1.3303 0 {} 0 0 0 83 {} 8.13904 0.02519 0.03480 ++ {0.0} {} {} 58.42469 0.29649 0.45539 ++ {0.0} {} {} 120.31416 0.07411 0.11383 ++ {0.0} {} 0.0 -0.1152 0 {} 0 0 0 84 {} 7.91500 0.01803 0.02044 ++ {0.0} {} {} 58.65239 0.71658 0.82373 ++ {0.0} {} {} 120.36392 0.05910 0.06794 ++ {0.0} {} 0.0 -0.0629 0 {} 0 0 0 85 {} 7.49656 0.02854 0.03998 ++ {0.0} {} {} 58.77570 0.71515 1.03290 ++ {0.0} {} {} 120.30217 0.12820 0.18516 ++ {0.0} {} 0.0 -0.0962 0 {} 0 0 0 86 {} 8.52406 0.04636 0.08578 ++ {0.0} {} {} 56.34893 0.72535 1.68018 ++ {0.0} {} {} 120.21377 0.73063 1.58914 ++ {0.0} {} 0.0 0.2046 0 {} 0 0 0 87 {} 8.23199 0.04414 0.03909 ++ {0.0} {} {} 56.47504 0.91483 0.53746 ++ {0.0} {} {} 120.14575 1.27592 0.74380 ++ {0.0} {} 0.0 0.0379 0 {} 0 0 0 88 {} 8.13005 0.04641 0.06688 ++ {0.0} {} {} 56.13940 0.92322 1.20740 ++ {0.0} {} {} 120.26031 1.26810 1.61328 ++ {0.0} {} 0.0 0.0736 0 {} 0 0 0 89 {} 7.96893 0.03590 0.09732 ++ {0.0} {} {} 55.92975 0.71102 1.87076 ++ {0.0} {} {} 120.15560 0.80921 1.71077 ++ {0.0} {} 0.0 1.1249 0 {} 0 0 0 90 {} 8.52527 0.04424 0.07312 ++ {0.0} {} {} 54.57373 0.92349 1.78659 ++ {0.0} {} {} 120.20026 0.73980 1.39986 ++ {0.0} {} 0.0 0.1564 0 {} 0 0 0 91 {} 7.96942 0.03635 0.09170 ++ {0.0} {} {} 45.61808 0.82896 1.89474 ++ {0.0} {} {} 120.15740 0.81227 1.70261 ++ {0.0} {} 0.0 0.8283 0 {} 0 0 0 92 {} 8.13730 0.02578 0.03231 ++ {0.0} {} {} 32.48601 0.84962 1.09888 ++ {0.0} {} {} 120.31429 0.09766 0.12632 ++ {0.0} {} 0.0 0.0757 0 {} 0 0 0 93 {} 7.96952 0.03579 0.09041 ++ {0.0} {} {} 31.17749 0.80634 1.90698 ++ {0.0} {} {} 120.15281 0.81438 1.71478 ++ {0.0} {} 0.0 -0.8653 0 {} 0 0 0 94 {} 8.52489 0.04959 0.09872 ++ {0.0} {} {} 30.11829 1.18622 1.91601 ++ {0.0} {} {} 120.18300 0.81509 1.96019 ++ {0.0} {} 0.0 -0.2520 0 {} 0 0 0 95 {} 8.28183 0.03044 0.19198 ++ {0.0} {} {} 30.00592 0.97570 1.39385 ++ {0.0} {} {} 119.98356 0.59823 1.63803 ++ {0.0} {} 0.0 -0.9037 0 {} 0 0 0 96 {} 7.91099 0.01836 0.00649 ++ {0.0} {} {} 29.56398 1.00823 0.31046 ++ {0.0} {} {} 120.37577 0.02537 0.00783 ++ {0.0} {} 0.0 0.0316 0 {} 0 0 0 97 {} 7.49281 0.03552 0.03524 ++ {0.0} {} {} 29.77723 1.27521 1.25094 ++ {0.0} {} {} 120.29802 0.11380 0.11242 ++ {0.0} {} 0.0 0.0528 0 {} 0 0 0 98 {} 8.10199 0.02055 0.01776 ++ {0.0} {} {} 60.69902 0.22726 0.17951 ++ {0.0} {} {} 119.50932 0.07780 0.06145 ++ {0.0} {} 0.0 -0.0442 0 {} 0 0 0 99 {} 8.38287 0.01348 0.01274 ++ {0.0} {} {} 60.18768 0.56858 0.53773 ++ {0.0} {} {} 119.88721 0.04040 0.03821 ++ {0.0} {} 0.0 -0.0507 0 {} 0 0 0 100 {} 8.81355 0.02541 0.00661 ++ {0.0} {} {} 59.45017 1.63854 0.26918 ++ {0.0} {} {} 119.70348 1.05899 0.15291 ++ {0.0} {} 0.0 0.0288 0 {} 0 0 0 101 {} 8.00541 0.03565 0.17079 ++ {0.0} {} {} 59.43268 0.89947 2.08830 ++ {0.0} {} {} 119.58345 0.65209 1.71561 ++ {0.0} {} 0.0 1.5209 0 {} 0 0 0 102 {} 8.41561 0.03282 0.08971 ++ {0.0} {} {} 59.17197 0.88669 2.01197 ++ {0.0} {} {} 119.68270 0.82360 1.76744 ++ {0.0} {} 0.0 1.6612 0 {} 0 0 0 103 {} 8.03271 0.04332 0.14278 ++ {0.0} {} {} 58.86428 0.83947 1.19924 ++ {0.0} {} {} 119.63947 0.75676 1.74782 ++ {0.0} {} 0.0 1.4504 0 {} 0 0 0 104 {} 7.86389 0.01725 0.02225 ++ {0.0} {} {} 59.18436 0.69784 1.05565 ++ {0.0} {} {} 119.87276 0.06460 0.09773 ++ {0.0} {} 0.0 -0.1098 0 {} 0 0 0 105 {} 7.82654 0.01642 0.01400 ++ {0.0} {} {} 59.08824 0.90797 0.78505 ++ {0.0} {} {} 119.89618 0.03408 0.02947 ++ {0.0} {} 0.0 -0.0471 0 {} 0 0 0 106 {} 7.82908 0.02904 0.02533 ++ {0.0} {} {} 38.99844 1.02620 0.86479 ++ {0.0} {} {} 119.89447 0.05982 0.05041 ++ {0.0} {} 0.0 0.0462 0 {} 0 0 0 107 {} 8.00252 0.02673 0.01567 ++ {0.0} {} {} 37.50723 1.08173 0.75394 ++ {0.0} {} {} 119.55055 0.86459 0.60260 ++ {0.0} {} 0.0 0.0410 0 {} 0 0 0 108 {} 8.38154 0.02947 0.01032 ++ {0.0} {} {} 36.57610 0.96878 0.26219 ++ {0.0} {} {} 119.87695 0.09323 0.02523 ++ {0.0} {} 0.0 0.0309 0 {} 0 0 0 109 {} 8.11315 0.03411 0.02032 ++ {0.0} {} {} 35.30918 0.76131 0.35302 ++ {0.0} {} {} 119.51211 0.06401 0.02968 ++ {0.0} {} 0.0 0.0348 0 {} 0 0 0 110 {} 8.38122 0.01358 0.00081 ++ {0.0} {} {} 29.13815 0.53152 0.03188 ++ {0.0} {} {} 119.87875 0.03437 0.00206 ++ {0.0} {} 0.0 0.0276 0 {} 0 0 0 111 {} 8.53697 0.02289 0.00033 ++ {0.0} {} {} 28.48679 0.60544 0.00751 ++ {0.0} {} {} 119.87511 0.06650 0.00083 ++ {0.0} {} 0.0 0.0269 0 {} 0 0 0 112 {} 7.86764 0.02099 0.02178 ++ {0.0} {} {} 28.37941 0.53089 0.55927 ++ {0.0} {} {} 119.88583 0.08009 0.08437 ++ {0.0} {} 0.0 0.0565 0 {} 0 0 0 113 {} 8.41560 0.03172 0.07247 ++ {0.0} {} {} 28.29748 0.91179 1.30256 ++ {0.0} {} {} 119.68741 0.81213 1.70790 ++ {0.0} {} 0.0 -0.9619 0 {} 0 0 0 114 {} 8.13265 0.03289 0.17284 ++ {0.0} {} {} 59.32295 0.47993 1.50836 ++ {0.0} {} {} 119.33199 0.69605 1.86711 ++ {0.0} {} 0.0 2.4825 0 {} 0 0 0 115 {} 7.73685 0.02460 0.01979 ++ {0.0} {} {} 58.89508 0.98800 0.72124 ++ {0.0} {} {} 119.37396 0.58626 0.42797 ++ {0.0} {} 0.0 0.0421 0 {} 0 0 0 116 {} 7.90358 0.03402 0.15029 ++ {0.0} {} {} 58.76644 0.72119 2.06989 ++ {0.0} {} {} 119.30329 0.72601 1.77548 ++ {0.0} {} 0.0 1.3626 0 {} 0 0 0 117 {} 7.48963 0.03161 0.07418 ++ {0.0} {} {} 58.80862 0.68220 1.97967 ++ {0.0} {} {} 119.17301 0.73106 1.69495 ++ {0.0} {} 0.0 1.0869 0 {} 0 0 0 118 {} 7.97878 0.01556 0.01629 ++ {0.0} {} {} 57.01244 1.12087 1.28649 ++ {0.0} {} {} 119.42772 0.05459 0.06311 ++ {0.0} {} 0.0 -0.0634 0 {} 0 0 0 119 {} 8.13570 0.03218 0.05882 ++ {0.0} {} {} 38.97738 0.84139 1.76800 ++ {0.0} {} {} 119.20809 0.83375 1.58174 ++ {0.0} {} 0.0 -0.2643 0 {} 0 0 0 120 {} 8.13310 0.03947 0.11544 ++ {0.0} {} {} 32.46382 1.06101 1.94768 ++ {0.0} {} {} 119.18729 0.76812 1.68958 ++ {0.0} {} 0.0 -0.9457 0 {} 0 0 0 121 {} 8.12817 0.04987 0.20290 ++ {0.0} {} {} 30.11677 1.02189 1.45984 ++ {0.0} {} {} 119.28089 0.83796 2.00173 ++ {0.0} {} 0.0 -1.6959 0 {} 0 0 0 122 {} 8.00988 0.03099 0.12775 ++ {0.0} {} {} 29.45445 0.88376 2.02652 ++ {0.0} {} {} 119.35074 1.32318 2.61814 ++ {0.0} {} 0.0 -1.1660 0 {} 0 0 0 123 {} 7.90357 0.03322 0.15781 ++ {0.0} {} {} 29.57951 1.15673 1.65247 ++ {0.0} {} {} 119.31245 0.69256 1.72579 ++ {0.0} {} 0.0 -1.0611 0 {} 0 0 0 124 {} 7.48972 0.03073 0.06890 ++ {0.0} {} {} 29.77621 1.10230 1.57472 ++ {0.0} {} {} 119.16772 0.71788 1.66049 ++ {0.0} {} 0.0 -0.6729 0 {} 0 0 0 125 {} 8.52953 0.03648 0.06926 ++ {0.0} {} {} 65.30569 0.71603 1.76542 ++ {0.0} {} {} 118.75913 0.80752 1.51159 ++ {0.0} {} 0.0 0.2171 0 {} 0 0 0 126 {} 8.38470 0.02833 0.06792 ++ {0.0} {} {} 59.83274 0.87084 1.24406 ++ {0.0} {} {} 118.78672 0.80420 1.72061 ++ {0.0} {} 0.0 1.1977 0 {} 0 0 0 127 {} 8.53063 0.03719 0.09198 ++ {0.0} {} {} 58.98082 1.01182 1.84749 ++ {0.0} {} {} 118.76630 0.81939 1.71742 ++ {0.0} {} 0.0 0.7739 0 {} 0 0 0 128 {} 7.86160 0.04734 0.06763 ++ {0.0} {} {} 59.13341 1.07020 1.90771 ++ {0.0} {} {} 118.74828 0.80779 1.73894 ++ {0.0} {} 0.0 1.9249 0 {} 0 0 0 129 {} 7.82360 0.03682 0.05260 ++ {0.0} {} {} 59.07052 1.11418 1.75133 ++ {0.0} {} {} 118.81853 0.72883 1.72518 ++ {0.0} {} 0.0 1.2487 0 {} 0 0 0 130 {} 8.28568 0.02242 0.02483 ++ {0.0} {} {} 57.43655 0.39991 0.46720 ++ {0.0} {} {} 118.97521 0.05002 0.05843 ++ {0.0} {} 0.0 -0.0643 0 {} 0 0 0 131 {} 8.15726 0.02068 0.02312 ++ {0.0} {} {} 57.04715 0.69746 0.82543 ++ {0.0} {} {} 118.82597 0.27576 0.32636 ++ {0.0} {} 0.0 -0.0655 0 {} 0 0 0 132 {} 8.49547 0.03919 0.04124 ++ {0.0} {} {} 56.40576 0.72373 0.76393 ++ {0.0} {} {} 118.65253 0.65539 0.69179 ++ {0.0} {} 0.0 0.0566 0 {} 0 0 0 133 {} 8.01643 0.03713 0.16493 ++ {0.0} {} {} 56.71152 0.73883 1.95511 ++ {0.0} {} {} 118.83113 0.91488 1.80978 ++ {0.0} {} 0.0 1.2601 0 {} 0 0 0 134 {} 7.85620 0.02581 0.00701 ++ {0.0} {} {} 56.68233 0.61436 0.07810 ++ {0.0} {} {} 118.87487 0.68591 0.08720 ++ {0.0} {} 0.0 0.0286 0 {} 0 0 0 135 {} 7.82258 0.03264 0.06977 ++ {0.0} {} {} 39.00838 1.02567 1.84149 ++ {0.0} {} {} 118.81498 0.73650 1.68903 ++ {0.0} {} 0.0 -0.7122 0 {} 0 0 0 136 {} 8.38482 0.02824 0.05512 ++ {0.0} {} {} 36.56446 0.91195 1.76932 ++ {0.0} {} {} 118.76156 0.81245 1.61290 ++ {0.0} {} 0.0 -0.3204 0 {} 0 0 0 137 {} 8.15487 0.02711 0.03210 ++ {0.0} {} {} 36.59611 1.03116 1.24346 ++ {0.0} {} {} 118.84610 0.30601 0.36615 ++ {0.0} {} 0.0 0.0666 0 {} 0 0 0 138 {} 8.53100 0.03350 0.06111 ++ {0.0} {} {} 32.18328 0.77152 1.54663 ++ {0.0} {} {} 118.77589 0.83516 1.45336 ++ {0.0} {} 0.0 -0.1627 0 {} 0 0 0 139 {} 8.28196 0.01670 0.00432 ++ {0.0} {} {} 30.37173 0.67674 0.17329 ++ {0.0} {} {} 118.94127 0.03607 0.00924 ++ {0.0} {} 0.0 0.0307 0 {} 0 0 0 140 {} 8.38441 0.02899 0.07201 ++ {0.0} {} {} 29.17522 0.83206 1.92010 ++ {0.0} {} {} 118.78661 0.81218 1.70733 ++ {0.0} {} 0.0 -0.7679 0 {} 0 0 0 141 {} 7.82376 0.03535 0.05050 ++ {0.0} {} {} 28.97190 0.81310 1.81563 ++ {0.0} {} {} 118.81479 0.77381 1.62916 ++ {0.0} {} 0.0 -0.2699 0 {} 0 0 0 142 {} 8.53040 0.03666 0.10103 ++ {0.0} {} {} 28.54074 1.08229 1.54613 ++ {0.0} {} {} 118.75742 0.81760 1.67827 ++ {0.0} {} 0.0 -0.5233 0 {} 0 0 0 143 {} 8.26186 0.03289 0.07420 ++ {0.0} {} {} 28.51080 0.95819 1.36884 ++ {0.0} {} {} 118.87251 0.66404 1.69385 ++ {0.0} {} 0.0 -0.5450 0 {} 0 0 0 144 {} 7.86240 0.03357 0.14518 ++ {0.0} {} {} 28.48543 0.93329 1.33327 ++ {0.0} {} {} 118.74623 0.81217 1.71323 ++ {0.0} {} 0.0 -0.9695 0 {} 0 0 0 145 {} 8.40767 0.02316 0.00877 ++ {0.0} {} {} 27.93610 0.25344 0.08359 ++ {0.0} {} {} 118.55989 0.04186 0.01380 ++ {0.0} {} 0.0 0.0320 0 {} 0 0 0 146 {} 8.12899 0.03714 0.04714 ++ {0.0} {} {} 59.34961 1.14051 1.57079 ++ {0.0} {} {} 118.16630 0.06696 0.09845 ++ {0.0} {} 0.0 -0.1010 0 {} 0 0 0 147 {} 7.47835 0.01822 0.01416 ++ {0.0} {} {} 58.77346 0.68463 0.46705 ++ {0.0} {} {} 118.09290 0.04083 0.02785 ++ {0.0} {} 0.0 -0.0406 0 {} 0 0 0 148 {} 7.97970 0.03556 0.08488 ++ {0.0} {} {} 56.93105 0.82796 1.18280 ++ {0.0} {} {} 118.29595 0.82613 1.67813 ++ {0.0} {} 0.0 1.2182 0 {} 0 0 0 149 {} 8.12877 0.01842 0.00311 ++ {0.0} {} {} 32.47731 0.80863 0.11068 ++ {0.0} {} {} 118.08775 0.02847 0.00390 ++ {0.0} {} 0.0 0.0287 0 {} 0 0 0 150 {} 7.90068 0.02677 0.01992 ++ {0.0} {} {} 29.62528 0.58745 0.37626 ++ {0.0} {} {} 118.11516 0.06251 0.04004 ++ {0.0} {} 0.0 0.0393 0 {} 0 0 0 151 {} 7.97976 0.03472 0.07676 ++ {0.0} {} {} 29.09762 1.21954 1.74220 ++ {0.0} {} {} 118.30296 0.82403 1.87967 ++ {0.0} {} 0.0 -0.9897 0 {} 0 0 0 152 {} 8.11766 0.02637 0.01784 ++ {0.0} {} {} 28.57917 0.71041 0.42664 ++ {0.0} {} {} 118.52451 0.05399 0.03242 ++ {0.0} {} 0.0 0.0382 0 {} 0 0 0 153 {} 8.76130 0.03203 0.02980 ++ {0.0} {} {} 65.66979 0.83939 0.76471 ++ {0.0} {} {} 117.83337 0.81140 0.73922 ++ {0.0} {} 0.0 0.0491 0 {} 0 0 0 154 {} 8.27605 0.02816 0.05483 ++ {0.0} {} {} 62.36744 0.69424 1.62985 ++ {0.0} {} {} 117.89767 0.73699 1.56874 ++ {0.0} {} 0.0 0.2406 0 {} 0 0 0 155 {} 8.76640 0.04455 0.08326 ++ {0.0} {} {} 59.72903 0.72057 1.51658 ++ {0.0} {} {} 117.82729 0.80406 1.48082 ++ {0.0} {} 0.0 0.1948 0 {} 0 0 0 156 {} 8.37615 0.02583 0.03019 ++ {0.0} {} {} 59.71680 0.75744 0.92801 ++ {0.0} {} {} 117.66629 0.09588 0.11747 ++ {0.0} {} 0.0 -0.0690 0 {} 0 0 0 157 {} 8.52454 0.02637 0.01919 ++ {0.0} {} {} 58.99716 0.90403 0.56701 ++ {0.0} {} {} 117.65878 0.06002 0.03764 ++ {0.0} {} 0.0 -0.0390 0 {} 0 0 0 158 {} 8.24883 0.01885 0.01343 ++ {0.0} {} {} 58.91057 0.82419 0.58412 ++ {0.0} {} {} 117.70038 0.18858 0.13365 ++ {0.0} {} 0.0 -0.0414 0 {} 0 0 0 159 {} 7.85382 0.02136 0.02708 ++ {0.0} {} {} 59.06992 0.97232 1.32567 ++ {0.0} {} {} 117.64489 0.04732 0.06226 ++ {0.0} {} 0.0 -0.0782 0 {} 0 0 0 160 {} 7.81480 0.03279 0.03595 ++ {0.0} {} {} 59.08611 1.02842 1.15676 ++ {0.0} {} {} 117.66935 0.08626 0.09700 ++ {0.0} {} 0.0 -0.0611 0 {} 0 0 0 161 {} 8.27683 0.03271 0.15254 ++ {0.0} {} {} 57.53151 0.89941 1.92948 ++ {0.0} {} {} 117.90382 0.70740 1.71695 ++ {0.0} {} 0.0 1.2583 0 {} 0 0 0 162 {} 8.27587 0.02806 0.04980 ++ {0.0} {} {} 39.16316 0.82436 1.56903 ++ {0.0} {} {} 117.89932 0.71779 1.43421 ++ {0.0} {} 0.0 -0.1746 0 {} 0 0 0 163 {} 8.76651 0.03693 0.02402 ++ {0.0} {} {} 32.13466 0.87762 0.52448 ++ {0.0} {} {} 117.84682 0.90145 0.53893 ++ {0.0} {} 0.0 -0.0381 0 {} 0 0 0 164 {} 8.27696 0.03428 0.08753 ++ {0.0} {} {} 30.21694 0.77576 1.96896 ++ {0.0} {} {} 117.91013 0.69605 1.68587 ++ {0.0} {} 0.0 -0.7999 0 {} 0 0 0 165 {} 8.76522 0.04159 0.06993 ++ {0.0} {} {} 29.03208 0.96749 1.58930 ++ {0.0} {} {} 117.83816 0.80426 1.33431 ++ {0.0} {} 0.0 -0.1261 0 {} 0 0 0 166 {} 8.37694 0.02510 0.01041 ++ {0.0} {} {} 29.15289 0.87477 0.33062 ++ {0.0} {} {} 117.65418 0.06833 0.02583 ++ {0.0} {} 0.0 0.0330 0 {} 0 0 0 167 {} 7.85191 0.02774 0.02012 ++ {0.0} {} {} 28.49402 1.04178 0.73202 ++ {0.0} {} {} 117.66483 0.07611 0.05348 ++ {0.0} {} 0.0 0.0412 0 {} 0 0 0 168 {} 8.15162 0.02838 0.06194 ++ {0.0} {} {} 60.09649 0.98490 1.40700 ++ {0.0} {} {} 117.54825 0.60092 1.36917 ++ {0.0} {} 0.0 0.3031 0 {} 0 0 0 169 {} 7.98605 0.03140 0.02171 ++ {0.0} {} {} 59.52581 0.98769 0.57027 ++ {0.0} {} {} 117.55607 0.06076 0.07718 ++ {0.0} {} 0.0 -0.0376 0 {} 0 0 0 170 {} 8.11028 0.03119 0.10161 ++ {0.0} {} {} 58.69020 0.84451 2.05824 ++ {0.0} {} {} 117.45738 0.67076 1.79590 ++ {0.0} {} 0.0 1.4328 0 {} 0 0 0 171 {} 8.15322 0.02717 0.08139 ++ {0.0} {} {} 57.08543 0.93653 1.57765 ++ {0.0} {} {} 117.59631 0.57765 1.67390 ++ {0.0} {} 0.0 1.2126 0 {} 0 0 0 172 {} 7.98479 0.02917 0.04666 ++ {0.0} {} {} 56.98994 0.83276 1.62497 ++ {0.0} {} {} 117.36970 0.09817 0.15644 ++ {0.0} {} 0.0 -0.1316 0 {} 0 0 0 173 {} 8.30897 0.02966 0.03407 ++ {0.0} {} {} 55.52749 1.02284 1.13919 ++ {0.0} {} {} 117.45426 0.31496 0.34710 ++ {0.0} {} 0.0 -0.0596 0 {} 0 0 0 174 {} 7.63883 0.03667 0.04581 ++ {0.0} {} {} 54.61811 0.89943 1.28478 ++ {0.0} {} {} 117.50678 0.15950 0.21621 ++ {0.0} {} 0.0 -0.0830 0 {} 0 0 0 175 {} 7.98607 0.02725 0.03652 ++ {0.0} {} {} 37.21832 0.77194 1.06397 ++ {0.0} {} {} 117.54465 0.09334 0.12865 ++ {0.0} {} 0.0 0.0860 0 {} 0 0 0 176 {} 8.15270 0.02720 0.07078 ++ {0.0} {} {} 36.59733 0.98158 1.71388 ++ {0.0} {} {} 117.57927 0.58410 1.65675 ++ {0.0} {} 0.0 -1.0167 0 {} 0 0 0 177 {} 7.63785 0.04082 0.04428 ++ {0.0} {} {} 29.94866 0.83883 0.96974 ++ {0.0} {} {} 117.51021 0.14814 0.17126 ++ {0.0} {} 0.0 0.0634 0 {} 0 0 0 178 {} 8.11024 0.03200 0.08512 ++ {0.0} {} {} 29.03275 1.24121 1.77315 ++ {0.0} {} {} 117.46318 0.66744 1.69573 ++ {0.0} {} 0.0 -0.8715 0 {} 0 0 0 179 {} 7.97601 0.02281 0.01954 ++ {0.0} {} {} 29.14468 1.05068 0.86477 ++ {0.0} {} {} 117.22031 0.04936 0.04063 ++ {0.0} {} 0.0 0.0454 0 {} 0 0 0 180 {} 7.55434 0.03023 0.02900 ++ {0.0} {} {} 62.35733 0.70514 0.67044 ++ {0.0} {} {} 116.92154 0.59852 0.56907 ++ {0.0} {} 0.0 -0.0510 0 {} 0 0 0 181 {} 7.53272 0.02790 0.03452 ++ {0.0} {} {} 57.88588 0.69072 0.92615 ++ {0.0} {} {} 117.10112 0.08890 0.11920 ++ {0.0} {} 0.0 -0.0811 0 {} 0 0 0 182 {} 8.27081 0.02828 0.03081 ++ {0.0} {} {} 57.53080 0.95392 1.06394 ++ {0.0} {} {} 116.74586 0.08227 0.09175 ++ {0.0} {} 0.0 -0.0605 0 {} 0 0 0 183 {} 7.54819 0.02857 0.01710 ++ {0.0} {} {} 39.20839 0.83634 0.32804 ++ {0.0} {} {} 116.96815 0.36486 0.14311 ++ {0.0} {} 0.0 0.0333 0 {} 0 0 0 184 {} 8.27281 0.03158 0.02597 ++ {0.0} {} {} 30.17658 0.91852 0.69154 ++ {0.0} {} {} 116.75522 0.09084 0.06839 ++ {0.0} {} 0.0 0.0429 0 {} 0 0 0 185 {} 7.53311 0.02717 0.02096 ++ {0.0} {} {} 28.81610 0.74245 0.52974 ++ {0.0} {} {} 117.10946 0.07303 0.05211 ++ {0.0} {} 0.0 0.0416 0 {} 0 0 0 186 {} 8.22473 0.02518 0.00049 ++ {0.0} {} {} 63.50617 0.83334 0.00741 ++ {0.0} {} {} 116.26232 0.68366 0.00608 ++ {0.0} {} 0.0 -0.0269 0 {} 0 0 0 187 {} 7.98201 0.02720 0.06021 ++ {0.0} {} {} 59.54716 0.92939 1.84301 ++ {0.0} {} {} 116.39854 0.72125 1.56856 ++ {0.0} {} 0.0 0.3434 0 {} 0 0 0 188 {} 8.10355 0.02995 0.03652 ++ {0.0} {} {} 58.60552 1.12141 1.53441 ++ {0.0} {} {} 116.29688 0.12267 0.15936 ++ {0.0} {} 0.0 -0.0763 0 {} 0 0 0 189 {} 7.63401 0.03730 0.08107 ++ {0.0} {} {} 57.51558 0.86837 1.74936 ++ {0.0} {} {} 116.35656 0.66984 1.48080 ++ {0.0} {} 0.0 0.2555 0 {} 0 0 0 190 {} 8.14432 0.02574 0.02010 ++ {0.0} {} {} 57.10910 0.79880 0.64352 ++ {0.0} {} {} 116.33218 0.19468 0.15684 ++ {0.0} {} 0.0 -0.0448 0 {} 0 0 0 191 {} 7.98203 0.03176 0.09455 ++ {0.0} {} {} 57.01117 0.96375 1.77065 ++ {0.0} {} {} 116.42396 0.80713 1.69666 ++ {0.0} {} 0.0 1.4825 0 {} 0 0 0 192 {} 7.63357 0.03799 0.10713 ++ {0.0} {} {} 54.60321 0.91355 1.93747 ++ {0.0} {} {} 116.34129 0.63961 1.66460 ++ {0.0} {} 0.0 0.9920 0 {} 0 0 0 193 {} 7.98196 0.03112 0.09656 ++ {0.0} {} {} 37.21824 0.73332 1.94440 ++ {0.0} {} {} 116.41673 0.78629 1.71446 ++ {0.0} {} 0.0 -1.1846 0 {} 0 0 0 194 {} 8.14772 0.03418 0.02126 ++ {0.0} {} {} 36.57141 1.03642 0.48857 ++ {0.0} {} {} 116.29833 0.10760 0.05065 ++ {0.0} {} 0.0 0.0350 0 {} 0 0 0 195 {} 7.63351 0.03463 0.09603 ++ {0.0} {} {} 29.95210 0.88594 2.01019 ++ {0.0} {} {} 116.34005 0.63882 1.64338 ++ {0.0} {} 0.0 -0.8173 0 {} 0 0 0 196 {} 7.98306 0.02440 0.04306 ++ {0.0} {} {} 29.38370 0.69989 1.38667 ++ {0.0} {} {} 116.43497 0.84129 1.41978 ++ {0.0} {} 0.0 -0.1664 0 {} 0 0 0 197 {} 8.10433 0.02301 0.02171 ++ {0.0} {} {} 29.15323 1.18147 1.10249 ++ {0.0} {} {} 116.29404 0.12630 0.11757 ++ {0.0} {} 0.0 0.0500 0 {} 0 0 0 198 {} 8.30639 0.03591 0.09697 ++ {0.0} {} {} 63.57875 0.97321 1.45927 ++ {0.0} {} {} 116.18027 0.59412 1.66822 ++ {0.0} {} 0.0 -0.7783 0 {} 0 0 0 199 {} 7.52259 0.03900 0.13172 ++ {0.0} {} {} 57.85684 0.71488 2.02351 ++ {0.0} {} {} 116.03545 0.76534 1.75280 ++ {0.0} {} 0.0 1.2793 0 {} 0 0 0 200 {} 7.35662 0.03654 0.00779 ++ {0.0} {} {} 57.88850 0.67124 0.14154 ++ {0.0} {} {} 116.05155 0.74516 0.15713 ++ {0.0} {} 0.0 0.0299 0 {} 0 0 0 201 {} 8.30643 0.03581 0.10117 ++ {0.0} {} {} 55.52489 1.04060 1.48657 ++ {0.0} {} {} 116.17711 0.59349 1.71441 ++ {0.0} {} 0.0 0.8747 0 {} 0 0 0 202 {} 7.52083 0.03090 0.06050 ++ {0.0} {} {} 37.21318 0.73892 1.73503 ++ {0.0} {} {} 116.05293 0.71022 1.57803 ++ {0.0} {} 0.0 -0.3166 0 {} 0 0 0 203 {} 8.30452 0.03759 0.05185 ++ {0.0} {} {} 30.31102 0.65191 0.96485 ++ {0.0} {} {} 116.16091 0.60407 0.89405 ++ {0.0} {} 0.0 -0.1029 0 {} 0 0 0 204 {} 7.52265 0.03886 0.11261 ++ {0.0} {} {} 28.81801 0.70075 1.94951 ++ {0.0} {} {} 116.03321 0.77491 1.73297 ++ {0.0} {} 0.0 -0.8059 0 {} 0 0 0 205 {} 7.54680 0.03370 0.08000 ++ {0.0} {} {} 62.38556 0.68571 1.90735 ++ {0.0} {} {} 115.67833 0.61544 1.70106 ++ {0.0} {} 0.0 0.8919 0 {} 0 0 0 206 {} 7.97228 0.02289 0.02635 ++ {0.0} {} {} 57.00468 0.84869 1.09246 ++ {0.0} {} {} 115.34052 0.06610 0.08509 ++ {0.0} {} 0.0 -0.0750 0 {} 0 0 0 207 {} 7.54661 0.03280 0.07726 ++ {0.0} {} {} 39.17026 0.86371 1.92755 ++ {0.0} {} {} 115.67519 0.62126 1.68774 ++ {0.0} {} 0.0 -0.6738 0 {} 0 0 0 208 {} 8.29858 0.03325 0.00063 ++ {0.0} {} {} 63.67762 0.80594 0.01449 ++ {0.0} {} {} 114.90834 0.11420 0.00205 ++ {0.0} {} 0.0 0.0270 0 {} 0 0 0 209 {} 7.51018 0.02142 0.01953 ++ {0.0} {} {} 57.87511 0.65777 0.59967 ++ {0.0} {} {} 114.89980 0.10419 0.09499 ++ {0.0} {} 0.0 -0.0491 0 {} 0 0 0 210 {} 7.54194 0.03243 0.01853 ++ {0.0} {} {} 62.39071 0.70580 0.22634 ++ {0.0} {} {} 114.44444 0.10169 0.03261 ++ {0.0} {} 0.0 -0.0318 0 {} 0 0 0 211 {} 7.66214 0.02711 0.02386 ++ {0.0} {} {} 34.19609 0.66159 0.56712 ++ {0.0} {} {} 111.89396 0.66313 0.56844 ++ {0.0} {} 0.0 0.0468 0 {} 0 0 0 212 {} 7.41049 0.02578 0.03121 ++ {0.0} {} {} 34.03041 0.91556 1.18335 ++ {0.0} {} {} 112.00904 0.56255 0.71206 ++ {0.0} {} 0.0 0.0728 0 {} 0 0 0 213 {} 7.41039 0.02812 0.02422 ++ {0.0} {} {} 30.27085 0.71871 0.58212 ++ {0.0} {} {} 111.92691 0.65787 0.53283 ++ {0.0} {} 0.0 -0.0449 0 {} 0 0 0 214 {} 7.66202 0.02259 0.00232 ++ {0.0} {} {} 28.61342 0.91083 0.07643 ++ {0.0} {} {} 111.90429 0.70274 0.05897 ++ {0.0} {} 0.0 -0.0279 0 {} 0 0 0 215 {} 7.52949 0.03577 0.05461 ++ {0.0} {} {} 34.12064 1.01086 1.78252 ++ {0.0} {} {} 111.33920 1.04939 1.58908 ++ {0.0} {} 0.0 0.1579 0 {} 0 0 0 216 {} 7.52420 0.02740 0.03806 ++ {0.0} {} {} 29.06401 1.15687 1.57993 ++ {0.0} {} {} 111.29513 0.84077 1.24343 ++ {0.0} {} 0.0 -0.0906 0 {} 0 0 0 217 {} 7.54800 0.03616 0.05193 ++ {0.0} {} {} 28.52660 1.20825 1.63364 ++ {0.0} {} {} 111.31249 0.84966 1.24014 ++ {0.0} {} 0.0 -0.0955 0 {} 0 0 0 218 {} 7.58280 0.01392 0.03690 ++ {0.0} {} {} 34.38509 0.76782 0.99167 ++ {0.0} {} {} 111.01326 0.59395 0.76711 ++ {0.0} {} 0.0 0.0755 0 {} 0 0 0 219 {} 7.58744 0.02567 0.01952 ++ {0.0} {} {} 30.19139 0.79221 0.57350 ++ {0.0} {} {} 110.97434 0.66744 0.48318 ++ {0.0} {} 0.0 -0.0419 0 {} 0 0 0 220 {} 8.49426 0.04091 0.02875 ++ {0.0} {} {} 45.48515 0.74922 0.54146 ++ {0.0} {} {} 110.37854 0.86649 0.62621 ++ {0.0} {} 0.0 0.0419 0 {} 0 0 0 221 {} 7.38692 0.02254 0.02818 ++ {0.0} {} {} 34.10168 0.96016 1.29131 ++ {0.0} {} {} 110.44691 0.73204 0.95162 ++ {0.0} {} 0.0 0.0761 0 {} 0 0 0 222 {} 7.38782 0.02379 0.02436 ++ {0.0} {} {} 28.76277 0.73174 0.75731 ++ {0.0} {} {} 110.43452 0.76934 0.79623 ++ {0.0} {} 0.0 -0.0554 0 {} 0 0 0 223 {} 8.20178 0.03198 0.03307 ++ {0.0} {} {} 45.61558 0.88128 0.91050 ++ {0.0} {} {} 110.00900 0.69896 0.72213 ++ {0.0} {} 0.0 -0.0553 0 {} 0 0 0 224 {} 7.46011 0.02729 0.03212 ++ {0.0} {} {} 34.56916 0.93565 1.17098 ++ {0.0} {} {} 110.06944 0.56806 0.69762 ++ {0.0} {} 0.0 0.0693 0 {} 0 0 0 225 {} 7.46130 0.01981 0.01553 ++ {0.0} {} {} 28.43772 0.76809 0.56246 ++ {0.0} {} {} 110.06194 0.56108 0.41087 ++ {0.0} {} 0.0 -0.0422 0 {} 0 0 0 226 {} 7.49735 0.02749 0.02748 ++ {0.0} {} {} 34.23526 0.69828 0.69805 ++ {0.0} {} {} 109.64896 0.53084 0.53066 ++ {0.0} {} 0.0 0.0535 0 {} 0 0 0 227 {} 7.49824 0.01854 0.00891 ++ {0.0} {} {} 27.67729 0.77721 0.35030 ++ {0.0} {} {} 109.65726 0.58219 0.26240 ++ {0.0} {} 0.0 -0.0345 0 {} 0 0 0 228 {} 8.19869 0.04054 0.06427 ++ {0.0} {} {} 56.66452 0.75374 1.41585 ++ {0.0} {} {} 108.72994 0.60094 0.98244 ++ {0.0} {} 0.0 0.1465 0 {} 0 0 0 229 {} 8.19925 0.04057 0.11992 ++ {0.0} {} {} 45.62798 0.80218 1.89810 ++ {0.0} {} {} 108.71754 0.61992 1.69576 ++ {0.0} {} 0.0 1.0101 0 {} 0 0 0 230 {} 8.03832 0.01900 0.03304 ++ {0.0} {} {} 45.65846 0.87758 0.56783 ++ {0.0} {} {} 108.69626 0.66663 0.43134 ++ {0.0} {} 0.0 0.0395 0 {} 0 0 0 231 {} 8.20048 0.04008 0.05768 ++ {0.0} {} {} 29.47255 0.77823 1.20881 ++ {0.0} {} {} 108.73073 0.57214 0.85030 ++ {0.0} {} 0.0 -0.1041 0 {} 0 0 0 232 {} 8.18693 0.02800 0.01953 ++ {0.0} {} {} 45.58523 1.04542 0.78421 ++ {0.0} {} {} 107.51805 0.15437 0.11472 ++ {0.0} {} 0.0 -0.0426 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN 3 . 3204.407 Hz . . . 4.773 . . 30869 5 2 . . H 1 H . . 8798.944 Hz . . . 4.773 . . 30869 5 3 . . N 15 N 1 . 2399.664 Hz . . . 120.113 . . 30869 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 30869 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details ; 2D 1H-15N HSQC; Accessed via the Ponderosa Web client: Automatic NOE assignments via CYANA. Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH; Lee W, Stark JL, Markley JL. (2014) PONDEROSA-C/S: Client-server based software package for automated protein 3D structure determination. Journal of Biomolecular NMR 60(2-3):73-5. ; _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 cbca_co_nh_S.nv 3002.60205078 9649.47851563 1800.0 599.619018555 150.779998779 60.7659988403 H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 8.09900 0.02630 0.03757 ++ {0.0} {} {} 31.07835 1.05174 1.79307 ++ {0.0} {} {} 127.00444 0.66447 1.45146 ++ {0.0} {} 0.0 0.5070 0 {} 0 0 0 1 {} 7.97685 0.03682 0.05260 ++ {0.0} {} {} 31.14151 1.01295 0.27636 ++ {0.0} {} {} 126.99624 0.77322 0.21095 ++ {0.0} {} 0.0 0.0580 0 {} 0 0 0 2 {} 8.45938 0.02014 0.00263 ++ {0.0} {} {} 55.87719 0.74323 0.07618 ++ {0.0} {} {} 126.78297 0.63008 0.06458 ++ {0.0} {} 0.0 0.0528 0 {} 0 0 0 3 {} 8.05438 0.03200 0.08982 ++ {0.0} {} {} 55.97227 1.07341 1.94279 ++ {0.0} {} {} 126.75039 0.65866 1.79913 ++ {0.0} {} 0.0 5.9102 0 {} 0 0 0 4 {} 7.97373 0.04556 0.05035 ++ {0.0} {} {} 55.96072 0.85810 0.92779 ++ {0.0} {} {} 126.79561 0.61663 0.66670 ++ {0.0} {} 0.0 0.1090 0 {} 0 0 0 5 {} 7.89090 0.03911 0.04784 ++ {0.0} {} {} 56.01311 1.10165 1.36116 ++ {0.0} {} {} 126.78897 0.63100 0.76578 ++ {0.0} {} 0.0 0.1274 0 {} 0 0 0 6 {} 7.64858 0.02939 0.02743 ++ {0.0} {} {} 55.95331 0.90602 0.82991 ++ {0.0} {} {} 126.78892 0.61411 0.56253 ++ {0.0} {} 0.0 0.0924 0 {} 0 0 0 7 {} 8.05430 0.03205 0.08531 ++ {0.0} {} {} 31.16888 0.86979 1.90072 ++ {0.0} {} {} 126.74899 0.65914 1.77416 ++ {0.0} {} 0.0 3.1237 0 {} 0 0 0 8 {} 7.89385 0.03115 0.01646 ++ {0.0} {} {} 31.12851 1.20756 0.60059 ++ {0.0} {} {} 126.77974 0.61803 0.31169 ++ {0.0} {} 0.0 0.0670 0 {} 0 0 0 9 {} 8.15880 0.04930 0.02230 ++ {0.0} {} {} 58.09353 1.06575 0.47183 ++ {0.0} {} {} 122.84830 0.83414 0.36518 ++ {0.0} {} 0.0 0.0641 0 {} 0 0 0 10 {} 8.42809 0.05636 0.19792 ++ {0.0} {} {} 55.74606 0.75679 1.72795 ++ {0.0} {} {} 122.88638 0.73687 1.57841 ++ {0.0} {} 0.0 0.6672 0 {} 0 0 0 11 {} 8.32667 0.04734 0.06763 ++ {0.0} {} {} 55.78511 0.72583 0.94624 ++ {0.0} {} {} 123.06451 0.71144 0.92747 ++ {0.0} {} 0.0 0.1438 0 {} 0 0 0 12 {} 8.42756 0.05596 0.15181 ++ {0.0} {} {} 29.56635 1.07060 1.78781 ++ {0.0} {} {} 122.88340 0.73268 1.48370 ++ {0.0} {} 0.0 0.4182 0 {} 0 0 0 13 {} 8.34684 0.03682 0.05260 ++ {0.0} {} {} 29.52324 1.08227 0.78989 ++ {0.0} {} {} 122.98099 0.86363 0.63032 ++ {0.0} {} 0.0 0.0789 0 {} 0 0 0 14 {} 8.06822 0.03397 0.08323 ++ {0.0} {} {} 59.00539 1.06182 1.86053 ++ {0.0} {} {} 122.26099 0.55114 1.30931 ++ {0.0} {} 0.0 1.7920 0 {} 0 0 0 15 {} 8.06826 0.03350 0.06780 ++ {0.0} {} {} 28.45021 0.85156 1.88152 ++ {0.0} {} {} 122.26106 0.55345 1.10530 ++ {0.0} {} 0.0 0.7634 0 {} 0 0 0 16 {} 8.80003 0.03211 0.10361 ++ {0.0} {} {} 58.83464 0.73881 2.05498 ++ {0.0} {} {} 121.94666 0.71112 1.67770 ++ {0.0} {} 0.0 2.3408 0 {} 0 0 0 17 {} 8.80016 0.03222 0.07200 ++ {0.0} {} {} 29.84674 0.72219 1.75710 ++ {0.0} {} {} 121.94714 0.70693 1.59235 ++ {0.0} {} 0.0 0.8419 0 {} 0 0 0 18 {} 8.61337 0.03249 0.09739 ++ {0.0} {} {} 60.40475 0.78992 1.97751 ++ {0.0} {} {} 121.33894 0.55317 1.32687 ++ {0.0} {} 0.0 1.7865 0 {} 0 0 0 19 {} 8.54303 0.02687 0.04332 ++ {0.0} {} {} 60.15447 0.95553 0.64320 ++ {0.0} {} {} 121.53532 0.91412 0.61534 ++ {0.0} {} 0.0 0.0755 0 {} 0 0 0 20 {} 8.23737 0.04930 0.01903 ++ {0.0} {} {} 59.83251 0.72119 0.09223 ++ {0.0} {} {} 121.42532 0.73952 0.09457 ++ {0.0} {} 0.0 0.0535 0 {} 0 0 0 21 {} 8.54111 0.03351 0.11678 ++ {0.0} {} {} 57.11451 1.07224 1.83472 ++ {0.0} {} {} 121.65023 0.64915 1.71235 ++ {0.0} {} 0.0 1.9434 0 {} 0 0 0 22 {} 8.54120 0.03129 0.08064 ++ {0.0} {} {} 36.59610 1.05757 1.93777 ++ {0.0} {} {} 121.65250 0.64357 1.65718 ++ {0.0} {} 0.0 1.2238 0 {} 0 0 0 23 {} 8.61343 0.03244 0.08079 ++ {0.0} {} {} 35.23293 0.78307 1.92505 ++ {0.0} {} {} 121.33738 0.55087 1.21220 ++ {0.0} {} 0.0 1.1384 0 {} 0 0 0 24 {} 8.42010 0.03822 0.01928 ++ {0.0} {} {} 33.26823 0.77132 0.28859 ++ {0.0} {} {} 121.60199 0.71325 0.26686 ++ {0.0} {} 0.0 0.0616 0 {} 0 0 0 25 {} 8.31686 0.03012 0.07046 ++ {0.0} {} {} 59.77621 0.73099 1.84490 ++ {0.0} {} {} 121.25957 0.95428 2.02943 ++ {0.0} {} 0.0 1.5277 0 {} 0 0 0 26 {} 7.86825 0.03292 0.09531 ++ {0.0} {} {} 59.12931 1.05653 1.82604 ++ {0.0} {} {} 121.14042 0.70874 1.72501 ++ {0.0} {} 0.0 2.7020 0 {} 0 0 0 27 {} 7.78283 0.03866 0.02402 ++ {0.0} {} {} 59.13422 1.03751 0.61155 ++ {0.0} {} {} 121.20877 0.69861 0.41179 ++ {0.0} {} 0.0 0.0710 0 {} 0 0 0 28 {} 7.70705 0.03686 0.03360 ++ {0.0} {} {} 59.13897 1.02378 0.92816 ++ {0.0} {} {} 121.05195 1.13348 1.04576 ++ {0.0} {} 0.0 0.0916 0 {} 0 0 0 29 {} 8.37008 0.06922 0.11003 ++ {0.0} {} {} 56.85614 0.95470 1.50871 ++ {0.0} {} {} 121.00605 1.33067 1.80732 ++ {0.0} {} 0.0 0.1880 0 {} 0 0 0 30 {} 8.60021 0.07286 0.19634 ++ {0.0} {} {} 56.01109 0.98177 1.78064 ++ {0.0} {} {} 121.09309 0.78542 1.48515 ++ {0.0} {} 0.0 0.4296 0 {} 0 0 0 31 {} 8.18995 0.08231 0.10559 ++ {0.0} {} {} 56.24880 0.94156 1.07748 ++ {0.0} {} {} 121.19534 1.12783 1.44667 ++ {0.0} {} 0.0 0.1171 0 {} 0 0 0 32 {} 8.60402 0.07114 0.10170 ++ {0.0} {} {} 33.10965 1.06999 1.39844 ++ {0.0} {} {} 121.08746 0.75881 1.08720 ++ {0.0} {} 0.0 0.1658 0 {} 0 0 0 33 {} 8.31740 0.03566 0.07464 ++ {0.0} {} {} 30.16220 0.90690 1.84866 ++ {0.0} {} {} 121.23407 0.95908 1.97374 ++ {0.0} {} 0.0 0.6894 0 {} 0 0 0 34 {} 7.86834 0.03258 0.07418 ++ {0.0} {} {} 28.40320 0.78273 1.91381 ++ {0.0} {} {} 121.13864 0.72522 1.69623 ++ {0.0} {} 0.0 1.1965 0 {} 0 0 0 35 {} 8.11055 0.03170 0.08962 ++ {0.0} {} {} 59.09988 1.04519 1.77202 ++ {0.0} {} {} 120.63390 0.77969 1.81848 ++ {0.0} {} 0.0 2.7095 0 {} 0 0 0 36 {} 8.27100 0.05738 0.08198 ++ {0.0} {} {} 56.60064 1.41495 1.48453 ++ {0.0} {} {} 120.54953 1.31567 1.42629 ++ {0.0} {} 0.0 0.1076 0 {} 0 0 0 37 {} 8.16410 0.05779 0.17317 ++ {0.0} {} {} 45.46541 0.88817 1.84644 ++ {0.0} {} {} 120.60747 0.80853 1.54266 ++ {0.0} {} 0.0 0.4907 0 {} 0 0 0 38 {} 8.11100 0.03121 0.07135 ++ {0.0} {} {} 28.47380 1.10058 1.94059 ++ {0.0} {} {} 120.61869 0.83018 1.72742 ++ {0.0} {} 0.0 1.2150 0 {} 0 0 0 39 {} 8.28091 0.03237 0.18751 ++ {0.0} {} {} 59.98663 1.06904 1.88996 ++ {0.0} {} {} 119.96822 0.57524 1.62368 ++ {0.0} {} 0.0 1.9162 0 {} 0 0 0 40 {} 8.23369 0.04734 0.06763 ++ {0.0} {} {} 56.54619 1.40184 1.49046 ++ {0.0} {} {} 120.28873 0.89224 0.96500 ++ {0.0} {} 0.0 0.1090 0 {} 0 0 0 41 {} 8.11925 0.04987 0.07580 ++ {0.0} {} {} 56.40829 0.97649 1.33266 ++ {0.0} {} {} 120.14630 0.85251 1.18599 ++ {0.0} {} 0.0 0.1538 0 {} 0 0 0 42 {} 8.52503 0.04524 0.12567 ++ {0.0} {} {} 54.64238 0.92423 1.81955 ++ {0.0} {} {} 120.19996 0.73268 1.60849 ++ {0.0} {} 0.0 0.8764 0 {} 0 0 0 43 {} 8.37861 0.03204 0.02153 ++ {0.0} {} {} 45.61593 0.98436 0.62661 ++ {0.0} {} {} 120.15513 0.81886 0.52126 ++ {0.0} {} 0.0 0.0735 0 {} 0 0 0 44 {} 7.96860 0.03206 0.22183 ++ {0.0} {} {} 45.63435 1.06934 1.87257 ++ {0.0} {} {} 120.15316 0.79967 1.73502 ++ {0.0} {} 0.0 5.8756 0 {} 0 0 0 45 {} 7.88743 0.02320 0.05643 ++ {0.0} {} {} 45.64185 0.96389 1.13849 ++ {0.0} {} {} 120.25014 0.64585 0.75733 ++ {0.0} {} 0.0 0.1210 0 {} 0 0 0 46 {} 7.80527 0.03707 0.04374 ++ {0.0} {} {} 45.61699 0.99543 1.19696 ++ {0.0} {} {} 120.21439 0.67540 0.80191 ++ {0.0} {} 0.0 0.1232 0 {} 0 0 0 47 {} 7.56167 0.03491 0.03280 ++ {0.0} {} {} 45.61686 0.99984 0.90190 ++ {0.0} {} {} 120.15974 0.82582 0.74493 ++ {0.0} {} 0.0 0.0912 0 {} 0 0 0 48 {} 8.52513 0.04448 0.09824 ++ {0.0} {} {} 29.85321 0.71763 1.52846 ++ {0.0} {} {} 120.20049 0.72509 1.50416 ++ {0.0} {} 0.0 0.4458 0 {} 0 0 0 49 {} 8.28104 0.03278 0.08168 ++ {0.0} {} {} 29.73503 0.78883 1.90767 ++ {0.0} {} {} 119.97499 0.58645 1.46278 ++ {0.0} {} 0.0 0.8920 0 {} 0 0 0 50 {} 8.57866 0.03785 0.02521 ++ {0.0} {} {} 59.72055 0.94368 0.63343 ++ {0.0} {} {} 119.63443 0.87257 0.58570 ++ {0.0} {} 0.0 0.0754 0 {} 0 0 0 51 {} 8.41545 0.03300 0.08983 ++ {0.0} {} {} 59.78584 0.73128 1.91263 ++ {0.0} {} {} 119.67920 0.80164 1.70778 ++ {0.0} {} 0.0 2.1238 0 {} 0 0 0 52 {} 8.03073 0.04038 0.15781 ++ {0.0} {} {} 58.98732 1.09700 1.94253 ++ {0.0} {} {} 119.63155 0.72593 1.73085 ++ {0.0} {} 0.0 2.5313 0 {} 0 0 0 53 {} 8.00783 0.03548 0.08788 ++ {0.0} {} {} 58.79948 0.71694 1.84265 ++ {0.0} {} {} 119.57519 0.63028 1.65365 ++ {0.0} {} 0.0 2.5026 0 {} 0 0 0 54 {} 8.14556 0.04342 0.01186 ++ {0.0} {} {} 53.21772 0.44568 0.10006 ++ {0.0} {} {} 119.56403 0.69576 0.15620 ++ {0.0} {} 0.0 0.0564 0 {} 0 0 0 55 {} 8.15296 0.02903 0.08490 ++ {0.0} {} {} 28.43170 0.82864 1.18377 ++ {0.0} {} {} 119.75149 0.72403 1.68745 ++ {0.0} {} 0.0 1.1331 0 {} 0 0 0 56 {} 8.41543 0.03226 0.07134 ++ {0.0} {} {} 27.70750 0.80770 1.89969 ++ {0.0} {} {} 119.67845 0.79016 1.63640 ++ {0.0} {} 0.0 1.0321 0 {} 0 0 0 57 {} 8.13230 0.03296 0.15781 ++ {0.0} {} {} 59.36353 1.00700 1.43857 ++ {0.0} {} {} 119.26543 0.76798 1.78160 ++ {0.0} {} 0.0 4.5382 0 {} 0 0 0 58 {} 7.90248 0.03583 0.08266 ++ {0.0} {} {} 59.76722 0.75363 1.97468 ++ {0.0} {} {} 119.28122 0.89082 1.78094 ++ {0.0} {} 0.0 2.2366 0 {} 0 0 0 59 {} 7.72950 0.04737 0.04681 ++ {0.0} {} {} 59.57283 1.23079 1.20942 ++ {0.0} {} {} 119.32101 0.65346 0.63944 ++ {0.0} {} 0.0 0.0980 0 {} 0 0 0 60 {} 7.65561 0.02695 0.04425 ++ {0.0} {} {} 59.67300 1.40355 0.67220 ++ {0.0} {} {} 119.21273 0.98330 0.52166 ++ {0.0} {} 0.0 0.0679 0 {} 0 0 0 61 {} 7.48916 0.03309 0.08353 ++ {0.0} {} {} 59.77015 0.73310 1.87593 ++ {0.0} {} {} 119.16120 0.69561 1.67775 ++ {0.0} {} 0.0 2.1402 0 {} 0 0 0 62 {} 8.53785 0.06571 0.01830 ++ {0.0} {} {} 59.21400 1.00003 0.42390 ++ {0.0} {} {} 119.27250 0.84371 0.35764 ++ {0.0} {} 0.0 0.0635 0 {} 0 0 0 63 {} 8.13388 0.03340 0.08147 ++ {0.0} {} {} 38.94433 0.44799 2.05367 ++ {0.0} {} {} 119.17772 0.72566 1.63358 ++ {0.0} {} 0.0 1.0932 0 {} 0 0 0 64 {} 8.13631 0.03406 0.07697 ++ {0.0} {} {} 30.15037 1.08680 1.92577 ++ {0.0} {} {} 119.26254 0.75490 1.63116 ++ {0.0} {} 0.0 0.9577 0 {} 0 0 0 65 {} 7.90294 0.03422 0.11272 ++ {0.0} {} {} 29.17066 0.88788 1.89188 ++ {0.0} {} {} 119.29191 0.73025 1.69084 ++ {0.0} {} 0.0 1.0782 0 {} 0 0 0 66 {} 7.48937 0.03305 0.07259 ++ {0.0} {} {} 29.01579 0.97898 1.92310 ++ {0.0} {} {} 119.16276 0.69981 1.62766 ++ {0.0} {} 0.0 1.0563 0 {} 0 0 0 67 {} 8.53009 0.03663 0.09648 ++ {0.0} {} {} 65.38461 0.76483 1.98756 ++ {0.0} {} {} 118.74357 0.79553 1.67980 ++ {0.0} {} 0.0 1.7010 0 {} 0 0 0 68 {} 8.38390 0.03033 0.07070 ++ {0.0} {} {} 60.47416 0.88863 1.89670 ++ {0.0} {} {} 118.77370 0.79394 1.69548 ++ {0.0} {} 0.0 1.9413 0 {} 0 0 0 69 {} 7.86229 0.03455 0.14212 ++ {0.0} {} {} 59.60547 1.07447 1.53495 ++ {0.0} {} {} 118.73497 0.78505 1.72754 ++ {0.0} {} 0.0 2.7616 0 {} 0 0 0 70 {} 8.26162 0.03501 0.18787 ++ {0.0} {} {} 58.80765 0.71572 1.84423 ++ {0.0} {} {} 118.87120 0.65239 1.69570 ++ {0.0} {} 0.0 1.4260 0 {} 0 0 0 71 {} 7.82214 0.03347 0.08331 ++ {0.0} {} {} 58.66141 0.87780 1.87298 ++ {0.0} {} {} 118.79728 0.82675 1.71853 ++ {0.0} {} 0.0 2.4819 0 {} 0 0 0 72 {} 8.01667 0.03031 0.07176 ++ {0.0} {} {} 56.96937 0.91295 1.30421 ++ {0.0} {} {} 118.84647 0.66813 1.69522 ++ {0.0} {} 0.0 2.3825 0 {} 0 0 0 73 {} 8.38386 0.03045 0.06900 ++ {0.0} {} {} 36.59060 1.06304 1.93777 ++ {0.0} {} {} 118.77203 0.78817 1.64471 ++ {0.0} {} 0.0 1.1984 0 {} 0 0 0 74 {} 8.10961 0.03253 0.06956 ++ {0.0} {} {} 32.45305 0.85092 1.89217 ++ {0.0} {} {} 118.98848 0.58062 1.54296 ++ {0.0} {} 0.0 1.0720 0 {} 0 0 0 75 {} 8.52942 0.03904 0.11360 ++ {0.0} {} {} 32.17766 0.86388 1.85877 ++ {0.0} {} {} 118.74825 0.80318 1.63058 ++ {0.0} {} 0.0 0.8044 0 {} 0 0 0 76 {} 7.86217 0.03282 0.07006 ++ {0.0} {} {} 29.87383 0.77041 1.89089 ++ {0.0} {} {} 118.73439 0.78235 1.65800 ++ {0.0} {} 0.0 1.0559 0 {} 0 0 0 77 {} 8.01620 0.03372 0.17576 ++ {0.0} {} {} 29.04058 1.11017 1.61403 ++ {0.0} {} {} 118.94312 0.69443 1.80466 ++ {0.0} {} 0.0 1.2503 0 {} 0 0 0 78 {} 7.82227 0.03492 0.07493 ++ {0.0} {} {} 28.98389 0.91020 1.87024 ++ {0.0} {} {} 118.80390 0.75506 1.67433 ++ {0.0} {} 0.0 1.1564 0 {} 0 0 0 79 {} 8.26182 0.03487 0.07913 ++ {0.0} {} {} 28.60483 1.03235 1.90473 ++ {0.0} {} {} 118.86758 0.64555 1.60670 ++ {0.0} {} 0.0 0.8056 0 {} 0 0 0 80 {} 7.97905 0.03455 0.09694 ++ {0.0} {} {} 58.23729 0.75991 1.91092 ++ {0.0} {} {} 118.28791 0.79717 1.72284 ++ {0.0} {} 0.0 2.6409 0 {} 0 0 0 81 {} 7.97887 0.03505 0.08492 ++ {0.0} {} {} 29.79273 0.73211 1.87460 ++ {0.0} {} {} 118.28905 0.81375 1.70536 ++ {0.0} {} 0.0 1.2147 0 {} 0 0 0 82 {} 8.76559 0.04394 0.13062 ++ {0.0} {} {} 65.73026 0.77743 1.83816 ++ {0.0} {} {} 117.82052 0.78030 1.59276 ++ {0.0} {} 0.0 0.7923 0 {} 0 0 0 83 {} 8.27657 0.03484 0.11482 ++ {0.0} {} {} 62.40726 0.78451 1.95938 ++ {0.0} {} {} 117.89350 0.72045 1.68836 ++ {0.0} {} 0.0 1.7780 0 {} 0 0 0 84 {} 8.27686 0.02823 0.00756 ++ {0.0} {} {} 54.48466 0.72487 0.17865 ++ {0.0} {} {} 117.88265 0.71472 0.17615 ++ {0.0} {} 0.0 0.0571 0 {} 0 0 0 85 {} 8.27613 0.03015 0.06633 ++ {0.0} {} {} 39.17184 0.86394 1.83330 ++ {0.0} {} {} 117.89714 0.71509 1.58177 ++ {0.0} {} 0.0 0.6182 0 {} 0 0 0 86 {} 8.76534 0.04549 0.08970 ++ {0.0} {} {} 32.09849 1.05364 1.72548 ++ {0.0} {} {} 117.81766 0.78871 1.43954 ++ {0.0} {} 0.0 0.3326 0 {} 0 0 0 87 {} 8.15258 0.03130 0.06763 ++ {0.0} {} {} 60.10589 1.09798 1.86779 ++ {0.0} {} {} 117.56696 0.59196 1.75258 ++ {0.0} {} 0.0 2.3168 0 {} 0 0 0 88 {} 8.10985 0.03414 0.08266 ++ {0.0} {} {} 59.44516 0.85290 1.96432 ++ {0.0} {} {} 117.44979 0.68549 1.68446 ++ {0.0} {} 0.0 2.5303 0 {} 0 0 0 89 {} 8.10969 0.03326 0.08928 ++ {0.0} {} {} 30.05672 1.06068 1.93209 ++ {0.0} {} {} 117.45065 0.69191 1.65815 ++ {0.0} {} 0.0 1.1254 0 {} 0 0 0 90 {} 8.15269 0.03772 0.05260 ++ {0.0} {} {} 29.41431 0.84764 1.99327 ++ {0.0} {} {} 117.56992 0.59449 1.51360 ++ {0.0} {} 0.0 0.8318 0 {} 0 0 0 91 {} 7.98172 0.03175 0.09460 ++ {0.0} {} {} 59.57187 1.05636 1.68769 ++ {0.0} {} {} 116.40645 0.74394 1.69523 ++ {0.0} {} 0.0 2.7983 0 {} 0 0 0 92 {} 7.63323 0.03805 0.11474 ++ {0.0} {} {} 57.57232 1.05828 1.69416 ++ {0.0} {} {} 116.33340 0.61554 1.59066 ++ {0.0} {} 0.0 2.1581 0 {} 0 0 0 93 {} 7.63305 0.03785 0.10204 ++ {0.0} {} {} 30.20257 0.82667 1.91960 ++ {0.0} {} {} 116.32728 0.60817 1.47571 ++ {0.0} {} 0.0 1.0758 0 {} 0 0 0 94 {} 7.98191 0.03181 0.07768 ++ {0.0} {} {} 29.36638 0.73375 1.83482 ++ {0.0} {} {} 116.40496 0.75522 1.62416 ++ {0.0} {} 0.0 0.9930 0 {} 0 0 0 95 {} 7.38682 0.04475 0.06445 ++ {0.0} {} {} 57.77028 1.12939 0.60542 ++ {0.0} {} {} 116.08347 0.95121 0.51266 ++ {0.0} {} 0.0 0.0685 0 {} 0 0 0 96 {} 7.52139 0.03411 0.11757 ++ {0.0} {} {} 57.10330 1.20074 1.97453 ++ {0.0} {} {} 116.04135 0.72839 1.70783 ++ {0.0} {} 0.0 2.2788 0 {} 0 0 0 97 {} 8.30608 0.03592 0.10241 ++ {0.0} {} {} 56.39663 0.79209 2.01217 ++ {0.0} {} {} 116.16382 0.59934 1.72756 ++ {0.0} {} 0.0 1.9143 0 {} 0 0 0 98 {} 7.52101 0.03276 0.08616 ++ {0.0} {} {} 37.21496 0.80186 1.93040 ++ {0.0} {} {} 116.04340 0.71982 1.67186 ++ {0.0} {} 0.0 1.3522 0 {} 0 0 0 99 {} 8.30597 0.03656 0.09006 ++ {0.0} {} {} 30.28797 0.73418 1.86795 ++ {0.0} {} {} 116.16544 0.59784 1.63011 ++ {0.0} {} 0.0 0.9852 0 {} 0 0 0 100 {} 7.54652 0.03364 0.08868 ++ {0.0} {} {} 57.94775 0.86697 1.97705 ++ {0.0} {} {} 115.67563 0.61604 1.73189 ++ {0.0} {} 0.0 2.2682 0 {} 0 0 0 101 {} 7.54675 0.03337 0.07842 ++ {0.0} {} {} 28.79578 0.72423 1.82941 ++ {0.0} {} {} 115.66954 0.61636 1.64139 ++ {0.0} {} 0.0 1.0526 0 {} 0 0 0 102 {} 7.65958 0.03019 0.07602 ++ {0.0} {} {} 34.14335 0.93296 1.71265 ++ {0.0} {} {} 112.07307 0.61318 1.07233 ++ {0.0} {} 0.0 0.3258 0 {} 0 0 0 103 {} 7.40754 0.02398 0.04229 ++ {0.0} {} {} 34.01377 0.96332 1.78715 ++ {0.0} {} {} 112.17247 0.70004 1.42324 ++ {0.0} {} 0.0 0.4268 0 {} 0 0 0 104 {} 7.40718 0.02401 0.03021 ++ {0.0} {} {} 30.33950 0.76971 1.01521 ++ {0.0} {} {} 112.17448 0.73065 0.96368 ++ {0.0} {} 0.0 0.1471 0 {} 0 0 0 105 {} 7.65975 0.02805 0.03175 ++ {0.0} {} {} 28.60476 1.07844 1.25593 ++ {0.0} {} {} 112.05953 0.64105 0.75118 ++ {0.0} {} 0.0 0.1209 0 {} 0 0 0 106 {} 7.53084 0.04157 0.09467 ++ {0.0} {} {} 34.18451 1.00972 2.05001 ++ {0.0} {} {} 111.48942 1.01231 2.01835 ++ {0.0} {} 0.0 1.0174 0 {} 0 0 0 107 {} 7.58347 0.02936 0.03571 ++ {0.0} {} {} 30.21460 0.81201 1.02630 ++ {0.0} {} {} 111.16167 0.68165 0.86154 ++ {0.0} {} 0.0 0.1361 0 {} 0 0 0 108 {} 7.54277 0.05149 0.09003 ++ {0.0} {} {} 28.59628 1.33443 2.03058 ++ {0.0} {} {} 111.40562 1.01166 1.67156 ++ {0.0} {} 0.0 0.3527 0 {} 0 0 0 109 {} 8.49633 0.05386 0.06175 ++ {0.0} {} {} 56.20844 0.76469 0.88225 ++ {0.0} {} {} 110.39323 0.77300 0.89183 ++ {0.0} {} 0.0 0.1183 0 {} 0 0 0 110 {} 7.38603 0.02672 0.04971 ++ {0.0} {} {} 34.10756 1.02146 1.80142 ++ {0.0} {} {} 110.54402 0.67721 1.38764 ++ {0.0} {} 0.0 0.4429 0 {} 0 0 0 111 {} 8.49828 0.04879 0.03122 ++ {0.0} {} {} 29.48135 0.92533 0.49624 ++ {0.0} {} {} 110.42339 0.82981 0.44502 ++ {0.0} {} 0.0 0.0684 0 {} 0 0 0 112 {} 7.38540 0.02733 0.03625 ++ {0.0} {} {} 28.77087 0.74298 1.03603 ++ {0.0} {} {} 110.54047 0.70156 0.97827 ++ {0.0} {} 0.0 0.1654 0 {} 0 0 0 113 {} 7.46010 0.02968 0.04653 ++ {0.0} {} {} 34.55561 1.05564 1.68873 ++ {0.0} {} {} 110.14969 0.59836 0.99385 ++ {0.0} {} 0.0 0.2954 0 {} 0 0 0 114 {} 7.49583 0.03044 0.04529 ++ {0.0} {} {} 34.21801 0.80059 1.51143 ++ {0.0} {} {} 109.76206 0.60632 0.97908 ++ {0.0} {} 0.0 0.2600 0 {} 0 0 0 115 {} 7.45952 0.02489 0.02693 ++ {0.0} {} {} 28.40511 0.79630 0.87968 ++ {0.0} {} {} 110.14330 0.57754 0.63801 ++ {0.0} {} 0.0 0.1119 0 {} 0 0 0 116 {} 7.49668 0.02753 0.02948 ++ {0.0} {} {} 27.69522 0.86694 0.93758 ++ {0.0} {} {} 109.74262 0.63991 0.69206 ++ {0.0} {} 0.0 0.1090 0 {} 0 0 0 117 {} 8.19890 0.04051 0.10941 ++ {0.0} {} {} 56.71712 0.78131 1.87264 ++ {0.0} {} {} 108.70882 0.62798 1.69257 ++ {0.0} {} 0.0 1.6082 0 {} 0 0 0 118 {} 8.04080 0.03372 0.00566 ++ {0.0} {} {} 56.71125 0.79253 0.05350 ++ {0.0} {} {} 108.73515 0.65665 0.04433 ++ {0.0} {} 0.0 0.0518 0 {} 0 0 0 119 {} 8.19883 0.04048 0.09968 ++ {0.0} {} {} 29.47274 0.87296 1.84722 ++ {0.0} {} {} 108.71260 0.61780 1.60044 ++ {0.0} {} 0.0 0.8992 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN 2 . 4194.630 Hz . . . 4.773 . . 30869 6 2 . . N 15 N 1 . 1800.000 Hz . . . 120.141 . . 30869 6 stop_ save_ save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 30869 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCO' _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 '3D HNCO' _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; label dataset sw sf HN H1y N15 mother_noesy_N.nv 3204.40673828 8798.94433594 2399.6640625 799.963989258 799.963989258 81.0690002441 HN.L HN.P HN.W HN.B HN.E HN.J HN.U H1y.L H1y.P H1y.W H1y.B H1y.E H1y.J H1y.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9 0 {} 7.53361 0.00968 0.00572 ++ {0.0} {} {} 7.52532 0.11689 0.03136 ++ {0.0} {} {} 134.78236 0.15667 0.04204 ++ {0.0} {} 0.0 0.0628 0 {} 0 0 0 1 {} 6.80354 0.03044 0.01866 ++ {0.0} {} {} 6.79403 0.11639 0.06644 ++ {0.0} {} {} 134.77313 0.08817 0.11073 ++ {0.0} {} 0.0 0.0761 0 {} 0 0 0 2 {} 6.53570 0.00676 0.00711 ++ {0.0} {} {} 6.53469 0.11729 0.12340 ++ {0.0} {} {} 134.78091 0.15934 0.16764 ++ {0.0} {} 0.0 0.1147 0 {} 0 0 0 3 {} 6.53686 0.01178 0.01169 ++ {0.0} {} {} 6.51953 0.09346 0.09278 ++ {0.0} {} {} 134.78209 0.14982 0.14872 ++ {0.0} {} 0.0 0.1079 0 {} 0 0 0 4 {} 7.38059 0.01577 0.00171 ++ {0.0} {} {} 7.37839 0.12406 0.01343 ++ {0.0} {} {} 134.34431 1.04168 0.11950 ++ {0.0} {} 0.0 0.0575 0 {} 0 0 0 5 {} 7.51211 0.02629 0.01293 ++ {0.0} {} {} 7.50583 0.10465 0.04809 ++ {0.0} {} {} 133.96059 0.98652 2.05390 ++ {0.0} {} 0.0 0.0706 0 {} 0 0 0 6 {} 6.80263 0.02059 0.01276 ++ {0.0} {} {} 6.80242 0.08623 0.05342 ++ {0.0} {} {} 133.98625 1.23219 0.94973 ++ {0.0} {} 0.0 0.0787 0 {} 0 0 0 7 {} 7.94931 0.02744 0.02160 ++ {0.0} {} {} 7.94615 0.13618 0.10916 ++ {0.0} {} {} 130.88879 0.59852 0.47975 ++ {0.0} {} 0.0 0.0907 0 {} 0 0 0 8 {} 8.00005 0.02909 0.02249 ++ {0.0} {} {} 7.99795 0.12716 0.09258 ++ {0.0} {} {} 127.85883 0.42242 0.30756 ++ {0.0} {} 0.0 0.0855 0 {} 0 0 0 9 {} 8.09186 0.04858 0.01330 ++ {0.0} {} {} 10.22525 0.12495 0.02015 ++ {0.0} {} {} 126.82597 0.52361 0.08445 ++ {0.0} {} 0.0 0.0591 -1 {} 0 0 0 10 {} 8.03710 0.02331 0.02009 ++ {0.0} {} {} 8.67608 0.06461 0.05555 ++ {0.0} {} {} 126.81245 0.46628 0.40093 ++ {0.0} {} 0.0 0.0953 0 {} 0 0 0 11 {} 8.17940 0.00923 0.02511 ++ {0.0} {} {} 8.04654 0.10974 0.13397 ++ {0.0} {} {} 126.88292 0.76643 0.91537 ++ {0.0} {} 0.0 0.1395 0 {} 0 0 0 12 {} 8.08586 0.03761 0.05373 ++ {0.0} {} {} 8.07872 0.13693 0.19562 ++ {0.0} {} {} 126.97861 0.50732 1.33121 ++ {0.0} {} 0.0 2.6852 0 {} 0 0 0 13 {} 7.77966 0.00709 0.01142 ++ {0.0} {} {} 8.05303 0.11316 0.08277 ++ {0.0} {} {} 126.87309 0.61537 0.45008 ++ {0.0} {} 0.0 0.0857 0 {} 0 0 0 14 {} 8.33260 0.01829 0.03055 ++ {0.0} {} {} 8.03028 0.09976 0.15147 ++ {0.0} {} {} 126.82610 0.48592 0.80476 ++ {0.0} {} 0.0 0.2249 0 {} 0 0 0 15 {} 8.03622 0.02537 0.06265 ++ {0.0} {} {} 8.03457 0.09730 0.28872 ++ {0.0} {} {} 126.82670 0.49130 1.31632 ++ {0.0} {} 0.0 17.9025 0 {} 0 0 0 16 {} 7.73946 0.02251 0.04208 ++ {0.0} {} {} 8.03519 0.09853 0.15400 ++ {0.0} {} {} 126.82386 0.48279 0.82981 ++ {0.0} {} 0.0 0.2381 0 {} 0 0 0 17 {} 8.03615 0.02581 0.02475 ++ {0.0} {} {} 7.39629 0.08052 0.07648 ++ {0.0} {} {} 126.80650 0.46950 0.44598 ++ {0.0} {} 0.0 0.1035 0 {} 0 0 0 18 {} 8.03627 0.02560 0.04285 ++ {0.0} {} {} 4.37931 0.10586 0.24276 ++ {0.0} {} {} 126.82579 0.49129 1.07775 ++ {0.0} {} 0.0 0.4524 0 {} 0 0 0 19 {} 8.03356 0.01366 0.02410 ++ {0.0} {} {} 4.08840 0.14784 0.24178 ++ {0.0} {} {} 126.83055 0.68108 1.29344 ++ {0.0} {} 0.0 0.3093 0 {} 0 0 0 20 {} 8.03605 0.02662 0.01367 ++ {0.0} {} {} 2.19796 0.04714 0.04893 ++ {0.0} {} {} 126.83160 0.49105 0.23169 ++ {0.0} {} 0.0 0.0711 0 {} 0 0 0 21 {} 8.03615 0.02537 0.03966 ++ {0.0} {} {} 1.88206 0.18294 0.26134 ++ {0.0} {} {} 126.82540 0.49182 0.93484 ++ {0.0} {} 0.0 0.2896 0 {} 0 0 0 22 {} 7.95887 0.03694 0.05558 ++ {0.0} {} {} 7.98718 0.13937 0.25908 ++ {0.0} {} {} 126.69197 0.49803 1.16985 ++ {0.0} {} 0.0 0.3066 0 {} 0 0 0 23 {} 7.89289 0.02123 0.03706 ++ {0.0} {} {} 7.89333 0.10521 0.19429 ++ {0.0} {} {} 126.65448 0.47196 0.83193 ++ {0.0} {} 0.0 0.2664 0 {} 0 0 0 24 {} 7.78409 0.03352 0.02113 ++ {0.0} {} {} 7.78514 0.11268 0.07723 ++ {0.0} {} {} 126.37936 0.51028 0.34976 ++ {0.0} {} 0.0 0.0827 0 {} 0 0 0 25 {} 8.67423 0.02376 0.01915 ++ {0.0} {} {} 8.67397 0.11414 0.09191 ++ {0.0} {} {} 124.05397 0.49498 0.39857 ++ {0.0} {} 0.0 0.0910 0 {} 0 0 0 26 {} 8.44229 0.05176 0.02086 ++ {0.0} {} {} 8.43696 0.11009 0.04198 ++ {0.0} {} {} 124.13408 0.43793 0.48567 ++ {0.0} {} 0.0 0.0672 0 {} 0 0 0 27 {} 8.30307 0.02460 0.03730 ++ {0.0} {} {} 8.29791 0.11147 0.19776 ++ {0.0} {} {} 123.14705 0.38105 1.28273 ++ {0.0} {} 0.0 0.2343 0 {} 0 0 0 28 {} 8.19880 0.02358 0.02300 ++ {0.0} {} {} 8.20185 0.12348 0.12158 ++ {0.0} {} {} 123.12389 0.52386 0.51584 ++ {0.0} {} 0.0 0.1071 0 {} 0 0 0 29 {} 7.96786 0.03464 0.02400 ++ {0.0} {} {} 7.96620 0.10419 0.05757 ++ {0.0} {} {} 123.24458 0.66930 0.36983 ++ {0.0} {} 0.0 0.0751 0 {} 0 0 0 30 {} 8.42151 0.02122 0.08137 ++ {0.0} {} {} 8.41984 0.13945 0.27057 ++ {0.0} {} {} 122.89347 0.59942 1.18384 ++ {0.0} {} 0.0 1.3959 0 {} 0 0 0 31 {} 8.42148 0.02072 0.05163 ++ {0.0} {} {} 4.77933 0.15977 0.22825 ++ {0.0} {} {} 122.90165 0.63430 1.18161 ++ {0.0} {} 0.0 0.7426 0 {} 0 0 0 32 {} 8.42150 0.02015 0.03969 ++ {0.0} {} {} 4.37049 0.12610 0.24736 ++ {0.0} {} {} 122.89924 0.59930 1.03224 ++ {0.0} {} 0.0 0.3707 0 {} 0 0 0 33 {} 8.42225 0.02544 0.00497 ++ {0.0} {} {} 3.97088 0.15337 0.03147 ++ {0.0} {} {} 122.88917 0.61936 0.12741 ++ {0.0} {} 0.0 0.0606 0 {} 0 0 0 34 {} 8.42163 0.01989 0.03805 ++ {0.0} {} {} 2.78572 0.14104 0.24398 ++ {0.0} {} {} 122.90430 0.58309 0.98021 ++ {0.0} {} 0.0 0.3161 0 {} 0 0 0 35 {} 8.42205 0.01982 0.01674 ++ {0.0} {} {} 2.10233 0.12255 0.23791 ++ {0.0} {} {} 122.89780 0.57431 0.48490 ++ {0.0} {} 0.0 0.0941 0 {} 0 0 0 36 {} 8.06253 0.02183 0.00149 ++ {0.0} {} {} 8.67706 0.07748 0.01092 ++ {0.0} {} {} 122.25600 0.58464 0.04004 ++ {0.0} {} 0.0 0.0563 0 {} 0 0 0 37 {} 8.06272 0.02795 0.19136 ++ {0.0} {} {} 8.06599 0.13451 0.19215 ++ {0.0} {} {} 122.25586 0.62344 1.25457 ++ {0.0} {} 0.0 6.0049 0 {} 0 0 0 38 {} 7.81356 0.03884 0.03634 ++ {0.0} {} {} 8.06402 0.12821 0.12109 ++ {0.0} {} {} 122.25780 0.61481 0.58185 ++ {0.0} {} 0.0 0.1030 0 {} 0 0 0 39 {} 8.06281 0.02112 0.00114 ++ {0.0} {} {} 7.46623 0.16167 0.00837 ++ {0.0} {} {} 122.23607 0.54672 0.02947 ++ {0.0} {} 0.0 0.0559 0 {} 0 0 0 40 {} 8.06250 0.02519 0.02013 ++ {0.0} {} {} 6.58422 0.12499 0.10291 ++ {0.0} {} {} 122.25462 0.60090 0.49471 ++ {0.0} {} 0.0 0.0924 0 {} 0 0 0 41 {} 8.06271 0.02447 0.04253 ++ {0.0} {} {} 4.58218 0.12154 0.25474 ++ {0.0} {} {} 122.25675 0.63611 0.98320 ++ {0.0} {} 0.0 0.2505 0 {} 0 0 0 42 {} 8.06253 0.02441 0.04083 ++ {0.0} {} {} 3.96749 0.11113 0.18436 ++ {0.0} {} {} 122.25781 0.62893 0.93032 ++ {0.0} {} 0.0 0.2201 0 {} 0 0 0 43 {} 8.06268 0.02774 0.07190 ++ {0.0} {} {} 2.75349 0.14128 0.20183 ++ {0.0} {} {} 122.25631 0.63370 1.17908 ++ {0.0} {} 0.0 0.8591 0 {} 0 0 0 44 {} 8.06228 0.02191 0.01677 ++ {0.0} {} {} 2.34554 0.07262 0.12042 ++ {0.0} {} {} 122.25291 0.62888 0.48432 ++ {0.0} {} 0.0 0.0884 0 {} 0 0 0 45 {} 8.06261 0.02798 0.05398 ++ {0.0} {} {} 2.04373 0.13824 0.28065 ++ {0.0} {} {} 122.26014 0.61666 1.04286 ++ {0.0} {} 0.0 0.3622 0 {} 0 0 0 46 {} 9.03643 0.02231 0.02643 ++ {0.0} {} {} 8.78047 0.10849 0.13282 ++ {0.0} {} {} 121.97164 0.61176 0.74884 ++ {0.0} {} 0.0 0.1401 0 {} 0 0 0 47 {} 8.92707 0.01609 0.03025 ++ {0.0} {} {} 8.78197 0.10980 0.08022 ++ {0.0} {} {} 121.96630 0.68567 0.50821 ++ {0.0} {} 0.0 0.0856 0 {} 0 0 0 48 {} 8.78601 0.02571 0.20322 ++ {0.0} {} {} 8.78209 0.10454 0.27734 ++ {0.0} {} {} 121.97034 0.63008 1.50207 ++ {0.0} {} 0.0 9.1302 0 {} 0 0 0 49 {} 8.78631 0.02563 0.05197 ++ {0.0} {} {} 8.13802 0.14374 0.25311 ++ {0.0} {} {} 121.97716 0.62087 1.10188 ++ {0.0} {} 0.0 0.4434 0 {} 0 0 0 50 {} 7.50085 0.03718 0.01276 ++ {0.0} {} {} 7.50140 0.10787 0.04177 ++ {0.0} {} {} 122.02322 1.31274 1.25886 ++ {0.0} {} 0.0 0.0674 0 {} 0 0 0 51 {} 8.78585 0.02562 0.05611 ++ {0.0} {} {} 7.46781 0.11595 0.25566 ++ {0.0} {} {} 121.97055 0.62570 1.13618 ++ {0.0} {} 0.0 0.5785 0 {} 0 0 0 52 {} 8.78597 0.02211 0.03505 ++ {0.0} {} {} 4.08982 0.15880 0.22686 ++ {0.0} {} {} 121.96917 0.63352 0.88142 ++ {0.0} {} 0.0 0.1799 0 {} 0 0 0 53 {} 8.78610 0.02159 0.04716 ++ {0.0} {} {} 3.73761 0.13455 0.24257 ++ {0.0} {} {} 121.97071 0.64378 1.10508 ++ {0.0} {} 0.0 0.3932 0 {} 0 0 0 54 {} 8.78598 0.02583 0.06305 ++ {0.0} {} {} 2.27576 0.21877 0.31253 ++ {0.0} {} {} 121.96889 0.63447 1.18752 ++ {0.0} {} 0.0 0.8980 0 {} 0 0 0 55 {} 8.78606 0.02563 0.06090 ++ {0.0} {} {} 1.97168 0.20106 0.28722 ++ {0.0} {} {} 121.97131 0.62744 1.16414 ++ {0.0} {} 0.0 0.7561 0 {} 0 0 0 56 {} 8.51517 0.02671 0.00982 ++ {0.0} {} {} 9.11281 0.12963 0.04469 ++ {0.0} {} {} 121.69547 0.49856 0.17187 ++ {0.0} {} 0.0 0.0657 0 {} 0 0 0 57 {} 8.51582 0.02655 0.16120 ++ {0.0} {} {} 8.51378 0.10121 0.14459 ++ {0.0} {} {} 121.68708 0.56689 1.30595 ++ {0.0} {} 0.0 7.9073 0 {} 0 0 0 58 {} 8.40099 0.04400 0.13971 ++ {0.0} {} {} 8.39801 0.12175 0.27181 ++ {0.0} {} {} 121.57614 0.77683 1.69585 ++ {0.0} {} 0.0 0.5352 0 {} 0 0 0 59 {} 8.51605 0.02504 0.02353 ++ {0.0} {} {} 7.88053 0.07489 0.15028 ++ {0.0} {} {} 121.67713 0.59763 0.55963 ++ {0.0} {} 0.0 0.1022 0 {} 0 0 0 60 {} 8.51590 0.02568 0.02820 ++ {0.0} {} {} 6.53246 0.11546 0.12822 ++ {0.0} {} {} 121.68532 0.56224 0.62437 ++ {0.0} {} 0.0 0.1222 0 {} 0 0 0 61 {} 8.40014 0.02578 0.03455 ++ {0.0} {} {} 4.77371 0.15045 0.07317 ++ {0.0} {} {} 121.50134 0.62138 0.30082 ++ {0.0} {} 0.0 0.0717 0 {} 0 0 0 62 {} 8.51546 0.02616 0.02511 ++ {0.0} {} {} 4.55856 0.13747 0.13075 ++ {0.0} {} {} 121.66922 0.62906 0.60199 ++ {0.0} {} 0.0 0.1036 0 {} 0 0 0 63 {} 8.51595 0.02627 0.04289 ++ {0.0} {} {} 4.03891 0.06516 0.28774 ++ {0.0} {} {} 121.68646 0.54773 1.02432 ++ {0.0} {} 0.0 0.3828 0 {} 0 0 0 64 {} 8.51594 0.02521 0.04103 ++ {0.0} {} {} 3.44291 0.11105 0.23679 ++ {0.0} {} {} 121.68359 0.57984 1.04926 ++ {0.0} {} 0.0 0.3565 0 {} 0 0 0 65 {} 8.51588 0.02533 0.03466 ++ {0.0} {} {} 3.19139 0.16023 0.22717 ++ {0.0} {} {} 121.68949 0.56411 0.85116 ++ {0.0} {} 0.0 0.1859 0 {} 0 0 0 66 {} 8.51596 0.02560 0.06141 ++ {0.0} {} {} 2.31123 0.18159 0.25942 ++ {0.0} {} {} 121.68504 0.58060 1.18510 ++ {0.0} {} 0.0 1.1007 0 {} 0 0 0 67 {} 8.63772 0.04568 0.04546 ++ {0.0} {} {} 10.22511 0.10873 0.10657 ++ {0.0} {} {} 121.20914 0.46939 0.46006 ++ {0.0} {} 0.0 0.1066 -1 {} 0 0 0 68 {} 8.55646 0.03154 0.03629 ++ {0.0} {} {} 10.22603 0.10116 0.12119 ++ {0.0} {} {} 121.26289 0.72790 0.91575 ++ {0.0} {} 0.0 0.1355 -1 {} 0 0 0 69 {} 8.25216 0.02541 0.00203 ++ {0.0} {} {} 10.22984 0.11400 0.00765 ++ {0.0} {} {} 121.34890 0.63833 0.04321 ++ {0.0} {} 0.0 0.0562 -1 {} 0 0 0 70 {} 8.59260 0.02602 0.13971 ++ {0.0} {} {} 8.59340 0.10053 0.28970 ++ {0.0} {} {} 121.29671 0.64892 1.81774 ++ {0.0} {} 0.0 7.9362 0 {} 0 0 0 71 {} 8.34039 0.02789 0.03002 ++ {0.0} {} {} 8.60191 0.09996 0.10891 ++ {0.0} {} {} 121.28334 0.48308 0.52632 ++ {0.0} {} 0.0 0.1194 0 {} 0 0 0 72 {} 7.85229 0.02255 0.04078 ++ {0.0} {} {} 8.40683 0.16934 0.24191 ++ {0.0} {} {} 121.24152 0.46217 1.02087 ++ {0.0} {} 0.0 0.4108 0 {} 0 0 0 73 {} 8.36044 0.03761 0.05373 ++ {0.0} {} {} 8.33663 0.15377 0.27806 ++ {0.0} {} {} 121.20660 1.34080 2.37419 ++ {0.0} {} 0.0 0.5773 0 {} 0 0 0 74 {} 8.28844 0.02794 0.26740 ++ {0.0} {} {} 8.28666 0.13806 0.19723 ++ {0.0} {} {} 121.35112 0.65538 1.05710 ++ {0.0} {} 0.0 6.1235 0 {} 0 0 0 75 {} 8.22533 0.03761 0.05373 ++ {0.0} {} {} 8.25812 0.14170 0.25903 ++ {0.0} {} {} 121.34885 0.89020 1.58898 ++ {0.0} {} 0.0 0.2865 0 {} 0 0 0 76 {} 7.85225 0.02307 0.04171 ++ {0.0} {} {} 8.12232 0.15577 0.26510 ++ {0.0} {} {} 121.23035 0.46364 1.04681 ++ {0.0} {} 0.0 0.4259 0 {} 0 0 0 77 {} 8.59196 0.02485 0.04860 ++ {0.0} {} {} 8.08929 0.12738 0.26459 ++ {0.0} {} {} 121.30489 0.59424 1.08241 ++ {0.0} {} 0.0 0.3653 0 {} 0 0 0 78 {} 7.85244 0.02227 0.21896 ++ {0.0} {} {} 7.85545 0.14496 0.26486 ++ {0.0} {} {} 121.23886 0.45988 1.31906 ++ {0.0} {} 0.0 8.8191 0 {} 0 0 0 79 {} 7.78986 0.02257 0.03224 ++ {0.0} {} {} 7.85443 0.12252 0.21765 ++ {0.0} {} {} 121.21857 0.44306 0.73829 ++ {0.0} {} 0.0 0.2552 0 {} 0 0 0 80 {} 7.71105 0.03863 0.01187 ++ {0.0} {} {} 7.85256 0.11628 0.03869 ++ {0.0} {} {} 121.20570 0.40596 0.13509 ++ {0.0} {} 0.0 0.0652 0 {} 0 0 0 81 {} 7.60185 0.01478 0.01668 ++ {0.0} {} {} 7.85657 0.12322 0.13910 ++ {0.0} {} {} 121.23222 0.45990 0.51917 ++ {0.0} {} 0.0 0.1248 0 {} 0 0 0 82 {} 7.55873 0.02125 0.02288 ++ {0.0} {} {} 7.85598 0.12269 0.13400 ++ {0.0} {} {} 121.25157 0.46183 0.50440 ++ {0.0} {} 0.0 0.1197 0 {} 0 0 0 83 {} 7.85285 0.02015 0.00859 ++ {0.0} {} {} 7.25523 0.11005 0.04691 ++ {0.0} {} {} 121.24963 0.47295 0.20162 ++ {0.0} {} 0.0 0.0691 0 {} 0 0 0 84 {} 8.28874 0.03215 0.03555 ++ {0.0} {} {} 4.77040 0.08037 0.19736 ++ {0.0} {} {} 121.32967 0.77255 0.87306 ++ {0.0} {} 0.0 0.1241 0 {} 0 0 0 85 {} 8.28823 0.02908 0.02654 ++ {0.0} {} {} 4.58421 0.05900 0.11943 ++ {0.0} {} {} 121.33533 0.58956 0.54276 ++ {0.0} {} 0.0 0.1007 0 {} 0 0 0 86 {} 8.59050 0.03382 0.03604 ++ {0.0} {} {} 4.45960 0.10385 0.11000 ++ {0.0} {} {} 121.19485 0.39140 0.41457 ++ {0.0} {} 0.0 0.1155 0 {} 0 0 0 87 {} 8.59191 0.02549 0.03827 ++ {0.0} {} {} 4.12888 0.17205 0.27785 ++ {0.0} {} {} 121.30684 0.60186 0.98619 ++ {0.0} {} 0.0 0.2256 0 {} 0 0 0 88 {} 8.28842 0.02803 0.05232 ++ {0.0} {} {} 4.16036 0.14353 0.20504 ++ {0.0} {} {} 121.34548 0.64860 1.10889 ++ {0.0} {} 0.0 0.3429 0 {} 0 0 0 89 {} 7.85251 0.02082 0.04118 ++ {0.0} {} {} 4.14817 0.16311 0.26540 ++ {0.0} {} {} 121.23672 0.47657 1.15504 ++ {0.0} {} 0.0 0.5738 0 {} 0 0 0 90 {} 8.28868 0.02743 0.03526 ++ {0.0} {} {} 3.95159 0.14573 0.20819 ++ {0.0} {} {} 121.34294 0.61713 0.84673 ++ {0.0} {} 0.0 0.1675 0 {} 0 0 0 91 {} 8.59251 0.02551 0.04796 ++ {0.0} {} {} 3.80889 0.15692 0.25762 ++ {0.0} {} {} 121.30163 0.57055 1.10212 ++ {0.0} {} 0.0 0.4038 0 {} 0 0 0 92 {} 8.59229 0.02572 0.05159 ++ {0.0} {} {} 3.51914 0.11827 0.27116 ++ {0.0} {} {} 121.30165 0.56568 1.11109 ++ {0.0} {} 0.0 0.4450 0 {} 0 0 0 93 {} 8.28867 0.02769 0.05578 ++ {0.0} {} {} 3.56301 0.10833 0.25307 ++ {0.0} {} {} 121.34650 0.63301 1.12133 ++ {0.0} {} 0.0 0.4688 0 {} 0 0 0 94 {} 8.28869 0.02762 0.06123 ++ {0.0} {} {} 3.10829 0.12649 0.26943 ++ {0.0} {} {} 121.35009 0.63302 1.15800 ++ {0.0} {} 0.0 0.5979 0 {} 0 0 0 95 {} 8.59191 0.02455 0.03565 ++ {0.0} {} {} 3.07120 0.13288 0.21150 ++ {0.0} {} {} 121.29710 0.56722 0.89084 ++ {0.0} {} 0.0 0.1955 0 {} 0 0 0 96 {} 8.59231 0.02560 0.04880 ++ {0.0} {} {} 2.55814 0.06311 0.26099 ++ {0.0} {} {} 121.29904 0.56301 1.09598 ++ {0.0} {} 0.0 0.3945 0 {} 0 0 0 97 {} 8.59253 0.02617 0.09492 ++ {0.0} {} {} 2.28299 0.16124 0.23034 ++ {0.0} {} {} 121.30225 0.57133 1.26138 ++ {0.0} {} 0.0 1.0792 0 {} 0 0 0 98 {} 7.85246 0.02208 0.05865 ++ {0.0} {} {} 2.09286 0.16299 0.23284 ++ {0.0} {} {} 121.23969 0.45959 1.22142 ++ {0.0} {} 0.0 1.1800 0 {} 0 0 0 99 {} 8.28854 0.02804 0.06168 ++ {0.0} {} {} 1.88000 0.16492 0.23559 ++ {0.0} {} {} 121.34709 0.64555 1.15679 ++ {0.0} {} 0.0 0.5176 0 {} 0 0 0 100 {} 7.85258 0.02079 0.01851 ++ {0.0} {} {} 1.60704 0.14236 0.12673 ++ {0.0} {} {} 121.23560 0.46569 0.41456 ++ {0.0} {} 0.0 0.0979 0 {} 0 0 0 101 {} 8.59346 0.03157 0.07407 ++ {0.0} {} {} 4.77455 0.15442 0.27018 ++ {0.0} {} {} 121.17963 0.44780 1.15768 ++ {0.0} {} 0.0 0.5286 0 {} 0 0 0 102 {} 8.34793 0.04930 0.02855 ++ {0.0} {} {} 4.77281 0.15272 0.06999 ++ {0.0} {} {} 120.99574 1.30708 0.80088 ++ {0.0} {} 0.0 0.0703 0 {} 0 0 0 103 {} 8.09714 0.02104 0.03936 ++ {0.0} {} {} 8.60236 0.13474 0.27976 ++ {0.0} {} {} 120.71708 0.62409 1.06590 ++ {0.0} {} 0.0 0.3500 0 {} 0 0 0 104 {} 8.39212 0.01965 0.02521 ++ {0.0} {} {} 8.09295 0.10987 0.12917 ++ {0.0} {} {} 120.71842 0.69788 0.82933 ++ {0.0} {} 0.0 0.1318 0 {} 0 0 0 105 {} 8.09707 0.02234 0.21269 ++ {0.0} {} {} 8.09348 0.10980 0.15685 ++ {0.0} {} {} 120.70949 0.61584 2.15835 ++ {0.0} {} 0.0 7.7180 0 {} 0 0 0 106 {} 7.80246 0.02354 0.02754 ++ {0.0} {} {} 8.09424 0.10432 0.12804 ++ {0.0} {} {} 120.71045 0.65818 0.79506 ++ {0.0} {} 0.0 0.1407 0 {} 0 0 0 107 {} 8.09665 0.02437 0.00693 ++ {0.0} {} {} 7.50563 0.13162 0.03685 ++ {0.0} {} {} 120.69982 0.59792 0.16742 ++ {0.0} {} 0.0 0.0632 0 {} 0 0 0 108 {} 8.14555 0.09315 0.01824 ++ {0.0} {} {} 4.77099 0.15199 0.05921 ++ {0.0} {} {} 120.59456 0.33738 0.27979 ++ {0.0} {} 0.0 0.0673 0 {} 0 0 0 109 {} 8.09715 0.02130 0.04110 ++ {0.0} {} {} 4.20399 0.06592 0.26934 ++ {0.0} {} {} 120.70265 0.62369 1.14871 ++ {0.0} {} 0.0 0.3987 0 {} 0 0 0 110 {} 8.09709 0.02117 0.04772 ++ {0.0} {} {} 3.52033 0.11977 0.17110 ++ {0.0} {} {} 120.71339 0.61507 1.14763 ++ {0.0} {} 0.0 0.6948 0 {} 0 0 0 111 {} 8.09703 0.02145 0.04718 ++ {0.0} {} {} 3.08455 0.10743 0.27265 ++ {0.0} {} {} 120.71130 0.61263 1.14092 ++ {0.0} {} 0.0 0.6395 0 {} 0 0 0 112 {} 8.09645 0.02089 0.00799 ++ {0.0} {} {} 2.56759 0.09184 0.08692 ++ {0.0} {} {} 120.69814 0.58515 0.22364 ++ {0.0} {} 0.0 0.0672 0 {} 0 0 0 113 {} 8.09696 0.02145 0.04291 ++ {0.0} {} {} 2.10829 0.13450 0.19214 ++ {0.0} {} {} 120.71037 0.62744 1.25862 ++ {0.0} {} 0.0 0.6182 0 {} 0 0 0 114 {} 8.58421 0.01380 0.00270 ++ {0.0} {} {} 10.22079 0.12197 0.00615 ++ {0.0} {} {} 120.35243 0.50515 0.02547 ++ {0.0} {} 0.0 0.0558 -1 {} 0 0 0 115 {} 8.54789 0.00772 0.00854 ++ {0.0} {} {} 10.22619 0.11987 0.06022 ++ {0.0} {} {} 120.35429 0.62425 0.31362 ++ {0.0} {} 0.0 0.0726 -1 {} 0 0 0 116 {} 8.46747 0.02520 0.01423 ++ {0.0} {} {} 10.22536 0.11647 0.06286 ++ {0.0} {} {} 120.27245 0.40893 0.22069 ++ {0.0} {} 0.0 0.0744 -1 {} 0 0 0 117 {} 8.50681 0.03223 0.16750 ++ {0.0} {} {} 8.50201 0.11679 0.16684 ++ {0.0} {} {} 120.30531 0.40670 0.89910 ++ {0.0} {} 0.0 2.3255 0 {} 0 0 0 118 {} 8.50685 0.02774 0.07895 ++ {0.0} {} {} 4.77169 0.14797 0.21138 ++ {0.0} {} {} 120.30995 0.46120 1.24287 ++ {0.0} {} 0.0 1.0899 0 {} 0 0 0 119 {} 8.21400 0.01928 0.02242 ++ {0.0} {} {} 4.77389 0.12720 0.05764 ++ {0.0} {} {} 120.28863 0.67975 0.30758 ++ {0.0} {} 0.0 0.0703 0 {} 0 0 0 120 {} 8.50372 0.02944 0.03399 ++ {0.0} {} {} 4.39558 0.10050 0.11951 ++ {0.0} {} {} 120.31598 0.47427 0.56396 ++ {0.0} {} 0.0 0.1340 0 {} 0 0 0 121 {} 8.50719 0.02891 0.03700 ++ {0.0} {} {} 2.35181 0.06334 0.19478 ++ {0.0} {} {} 120.29110 0.38172 0.51029 ++ {0.0} {} 0.0 0.1639 0 {} 0 0 0 122 {} 8.50679 0.02756 0.05020 ++ {0.0} {} {} 1.96168 0.17760 0.25371 ++ {0.0} {} {} 120.31242 0.45382 0.96563 ++ {0.0} {} 0.0 0.3999 0 {} 0 0 0 123 {} 7.99212 0.01639 0.00942 ++ {0.0} {} {} 10.23278 0.11578 0.06658 ++ {0.0} {} {} 120.17365 0.37497 0.21562 ++ {0.0} {} 0.0 0.0763 -1 {} 0 0 0 124 {} 7.90920 0.02044 0.00826 ++ {0.0} {} {} 10.22413 0.11451 0.04522 ++ {0.0} {} {} 120.16508 0.50940 0.20119 ++ {0.0} {} 0.0 0.0677 -1 {} 0 0 0 125 {} 8.26011 0.02793 0.00540 ++ {0.0} {} {} 8.84275 0.12198 0.02192 ++ {0.0} {} {} 119.97499 0.46034 0.08273 ++ {0.0} {} 0.0 0.0597 0 {} 0 0 0 126 {} 7.94917 0.02846 0.01973 ++ {0.0} {} {} 8.54018 0.09262 0.05699 ++ {0.0} {} {} 120.16520 0.57280 0.35246 ++ {0.0} {} 0.0 0.0785 0 {} 0 0 0 127 {} 8.26020 0.02698 0.29017 ++ {0.0} {} {} 8.26256 0.11647 0.16639 ++ {0.0} {} {} 120.01318 0.70305 1.69585 ++ {0.0} {} 0.0 8.0378 0 {} 0 0 0 128 {} 7.94849 0.02708 0.07523 ++ {0.0} {} {} 7.94622 0.12440 0.17771 ++ {0.0} {} {} 120.17754 0.50396 1.32683 ++ {0.0} {} 0.0 8.1283 0 {} 0 0 0 129 {} 7.65182 0.01980 0.02629 ++ {0.0} {} {} 7.94788 0.11654 0.14927 ++ {0.0} {} {} 120.17870 0.49892 0.63902 ++ {0.0} {} 0.0 0.1511 0 {} 0 0 0 130 {} 8.26024 0.02540 0.01193 ++ {0.0} {} {} 7.67743 0.05844 0.05658 ++ {0.0} {} {} 120.03715 0.50595 0.22265 ++ {0.0} {} 0.0 0.0697 0 {} 0 0 0 131 {} 7.94814 0.02695 0.00790 ++ {0.0} {} {} 7.35817 0.12613 0.03218 ++ {0.0} {} {} 120.16969 0.54871 0.13999 ++ {0.0} {} 0.0 0.0623 0 {} 0 0 0 132 {} 7.94851 0.02736 0.04552 ++ {0.0} {} {} 4.77360 0.15686 0.25657 ++ {0.0} {} {} 120.18384 0.54265 1.10049 ++ {0.0} {} 0.0 0.3384 0 {} 0 0 0 133 {} 7.95050 0.01701 0.02965 ++ {0.0} {} {} 4.37961 0.10850 0.23144 ++ {0.0} {} {} 120.17964 0.57028 1.02847 ++ {0.0} {} 0.0 0.2528 0 {} 0 0 0 134 {} 8.26023 0.02765 0.06125 ++ {0.0} {} {} 4.06772 0.18070 0.25815 ++ {0.0} {} {} 120.00508 0.46682 1.08620 ++ {0.0} {} 0.0 0.5149 0 {} 0 0 0 135 {} 7.94860 0.02704 0.04179 ++ {0.0} {} {} 3.92805 0.13858 0.29039 ++ {0.0} {} {} 120.17812 0.50929 0.97669 ++ {0.0} {} 0.0 0.2843 0 {} 0 0 0 136 {} 8.26020 0.02724 0.05688 ++ {0.0} {} {} 2.29512 0.21068 0.30097 ++ {0.0} {} {} 120.00970 0.47146 1.07663 ++ {0.0} {} 0.0 0.4392 0 {} 0 0 0 137 {} 8.26029 0.02749 0.13905 ++ {0.0} {} {} 1.97047 0.14775 0.21107 ++ {0.0} {} {} 120.01117 0.48101 1.26037 ++ {0.0} {} 0.0 0.9473 0 {} 0 0 0 138 {} 7.94866 0.02726 0.04202 ++ {0.0} {} {} 1.70352 0.11908 0.37426 ++ {0.0} {} {} 120.17995 0.49787 0.92010 ++ {0.0} {} 0.0 0.2693 0 {} 0 0 0 139 {} 8.21163 0.01414 0.02320 ++ {0.0} {} {} 10.22855 0.11244 0.05919 ++ {0.0} {} {} 119.76731 0.60198 0.31690 ++ {0.0} {} 0.0 0.0738 -1 {} 0 0 0 140 {} 8.18141 0.02056 0.02701 ++ {0.0} {} {} 10.22412 0.10812 0.03453 ++ {0.0} {} {} 119.79410 0.91590 0.25909 ++ {0.0} {} 0.0 0.0647 -1 {} 0 0 0 141 {} 8.39402 0.02248 0.01674 ++ {0.0} {} {} 8.97999 0.11283 0.08468 ++ {0.0} {} {} 119.86340 0.30536 0.22916 ++ {0.0} {} 0.0 0.0870 0 {} 0 0 0 142 {} 8.13376 0.02762 0.05383 ++ {0.0} {} {} 8.76868 0.13024 0.25887 ++ {0.0} {} {} 119.82213 0.61480 1.11270 ++ {0.0} {} 0.0 0.4622 0 {} 0 0 0 143 {} 7.99925 0.02126 0.04224 ++ {0.0} {} {} 8.52539 0.13510 0.24846 ++ {0.0} {} {} 119.80200 0.64486 1.12809 ++ {0.0} {} 0.0 0.3722 0 {} 0 0 0 144 {} 8.69369 0.01744 0.02459 ++ {0.0} {} {} 8.39655 0.11252 0.16377 ++ {0.0} {} {} 119.78978 0.60956 0.85297 ++ {0.0} {} 0.0 0.1787 0 {} 0 0 0 145 {} 8.39492 0.02240 0.33382 ++ {0.0} {} {} 8.39787 0.11360 0.16229 ++ {0.0} {} {} 119.78860 0.64075 0.91536 ++ {0.0} {} 0.0 9.2271 0 {} 0 0 0 146 {} 8.09505 0.02422 0.03157 ++ {0.0} {} {} 8.39271 0.12561 0.20898 ++ {0.0} {} {} 119.79919 0.57974 0.85859 ++ {0.0} {} 0.0 0.1929 0 {} 0 0 0 147 {} 8.13645 0.03925 0.26867 ++ {0.0} {} {} 8.13548 0.13879 0.19827 ++ {0.0} {} {} 119.79549 0.76954 1.09935 ++ {0.0} {} 0.0 11.5446 0 {} 0 0 0 148 {} 7.99726 0.02819 0.09672 ++ {0.0} {} {} 7.99741 0.13698 0.19569 ++ {0.0} {} {} 119.71232 0.55609 1.79464 ++ {0.0} {} 0.0 14.3581 0 {} 0 0 0 149 {} 7.69780 0.02084 0.03492 ++ {0.0} {} {} 7.99757 0.13819 0.23361 ++ {0.0} {} {} 119.69769 0.49980 0.89048 ++ {0.0} {} 0.0 0.2592 0 {} 0 0 0 150 {} 8.39492 0.02653 0.05504 ++ {0.0} {} {} 7.84791 0.11393 0.27702 ++ {0.0} {} {} 119.79464 0.62140 1.12553 ++ {0.0} {} 0.0 0.4354 0 {} 0 0 0 151 {} 8.13464 0.03039 0.03401 ++ {0.0} {} {} 7.52353 0.14009 0.16764 ++ {0.0} {} {} 119.81731 0.65880 0.79303 ++ {0.0} {} 0.0 0.1307 0 {} 0 0 0 152 {} 7.99779 0.02678 0.02978 ++ {0.0} {} {} 7.41412 0.04024 0.09782 ++ {0.0} {} {} 119.70185 0.51776 0.57212 ++ {0.0} {} 0.0 0.1214 0 {} 0 0 0 153 {} 8.39474 0.02641 0.06286 ++ {0.0} {} {} 4.14294 0.15249 0.27643 ++ {0.0} {} {} 119.78880 0.62297 1.13862 ++ {0.0} {} 0.0 0.5711 0 {} 0 0 0 154 {} 8.13383 0.02881 0.09633 ++ {0.0} {} {} 4.11146 0.12254 0.17506 ++ {0.0} {} {} 119.81835 0.67964 1.53698 ++ {0.0} {} 0.0 0.6387 0 {} 0 0 0 155 {} 8.39511 0.02309 0.01961 ++ {0.0} {} {} 3.81377 0.13832 0.12052 ++ {0.0} {} {} 119.78761 0.61791 0.53839 ++ {0.0} {} 0.0 0.0963 0 {} 0 0 0 156 {} 8.00028 0.02351 0.02769 ++ {0.0} {} {} 2.78772 0.12722 0.15066 ++ {0.0} {} {} 119.84902 0.50717 0.60062 ++ {0.0} {} 0.0 0.1332 0 {} 0 0 0 157 {} 8.39488 0.02183 0.04957 ++ {0.0} {} {} 2.59077 0.10554 0.33169 ++ {0.0} {} {} 119.78830 0.63329 1.09003 ++ {0.0} {} 0.0 0.3854 0 {} 0 0 0 158 {} 8.39494 0.02609 0.09906 ++ {0.0} {} {} 2.27019 0.13157 0.18796 ++ {0.0} {} {} 119.78812 0.63804 1.21384 ++ {0.0} {} 0.0 1.1413 0 {} 0 0 0 159 {} 8.13392 0.02789 0.08091 ++ {0.0} {} {} 2.23889 0.15880 0.22686 ++ {0.0} {} {} 119.82253 0.64602 1.16752 ++ {0.0} {} 0.0 0.4241 0 {} 0 0 0 160 {} 7.99990 0.02181 0.09540 ++ {0.0} {} {} 2.17588 0.14563 0.22686 ++ {0.0} {} {} 119.83115 0.61904 1.30993 ++ {0.0} {} 0.0 1.2106 0 {} 0 0 0 161 {} 8.13497 0.03133 0.21494 ++ {0.0} {} {} 1.95814 0.18973 0.27104 ++ {0.0} {} {} 119.81757 0.65425 2.10669 ++ {0.0} {} 0.0 1.5621 0 {} 0 0 0 162 {} 8.15819 0.01292 0.00728 ++ {0.0} {} {} 10.23863 0.08728 0.04915 ++ {0.0} {} {} 119.34564 0.36748 0.20695 ++ {0.0} {} 0.0 0.0756 -1 {} 0 0 0 163 {} 8.15858 0.01520 0.02822 ++ {0.0} {} {} 10.23640 0.12377 0.07104 ++ {0.0} {} {} 119.41354 0.64518 0.37033 ++ {0.0} {} 0.0 0.0762 -1 {} 0 0 0 164 {} 8.15210 0.03311 0.04209 ++ {0.0} {} {} 4.77010 0.17444 0.22460 ++ {0.0} {} {} 119.56085 0.76448 1.12214 ++ {0.0} {} 0.0 0.1558 0 {} 0 0 0 165 {} 7.99431 0.02767 0.02046 ++ {0.0} {} {} 3.18458 0.16592 0.12231 ++ {0.0} {} {} 119.58484 0.48640 0.35272 ++ {0.0} {} 0.0 0.0853 0 {} 0 0 0 166 {} 7.99429 0.02684 0.09420 ++ {0.0} {} {} 1.95758 0.11222 0.35269 ++ {0.0} {} {} 119.54739 0.82797 1.80140 ++ {0.0} {} 0.0 1.1020 0 {} 0 0 0 167 {} 7.92369 0.01277 0.00033 ++ {0.0} {} {} 10.22906 0.12109 0.00312 ++ {0.0} {} {} 119.28517 0.29348 0.01663 ++ {0.0} {} 0.0 0.0551 -1 {} 0 0 0 168 {} 7.52086 0.01757 0.00376 ++ {0.0} {} {} 10.22561 0.14292 0.03058 ++ {0.0} {} {} 119.22384 0.49134 0.10514 ++ {0.0} {} 0.0 0.0609 -1 {} 0 0 0 169 {} 7.47115 0.02538 0.05843 ++ {0.0} {} {} 8.77389 0.11771 0.25269 ++ {0.0} {} {} 119.19222 0.61239 1.13583 ++ {0.0} {} 0.0 0.7181 0 {} 0 0 0 170 {} 8.09867 0.03358 0.03828 ++ {0.0} {} {} 8.68320 0.09922 0.11469 ++ {0.0} {} {} 119.16185 0.60452 0.71035 ++ {0.0} {} 0.0 0.1288 0 {} 0 0 0 171 {} 7.87165 0.02390 0.04265 ++ {0.0} {} {} 8.35250 0.19948 0.28497 ++ {0.0} {} {} 119.27811 0.48943 0.98465 ++ {0.0} {} 0.0 0.3303 0 {} 0 0 0 172 {} 8.40386 0.03669 0.04796 ++ {0.0} {} {} 8.09699 0.11284 0.16599 ++ {0.0} {} {} 119.18508 0.71990 0.97515 ++ {0.0} {} 0.0 0.1783 0 {} 0 0 0 173 {} 8.09754 0.04272 0.08361 ++ {0.0} {} {} 8.09070 0.11647 0.16639 ++ {0.0} {} {} 119.13109 0.69388 1.87162 ++ {0.0} {} 0.0 12.9649 0 {} 0 0 0 174 {} 7.47078 0.02930 0.02901 ++ {0.0} {} {} 8.07890 0.13940 0.13768 ++ {0.0} {} {} 119.20573 0.68813 0.68097 ++ {0.0} {} 0.0 0.1074 0 {} 0 0 0 175 {} 7.57142 0.02127 0.03273 ++ {0.0} {} {} 7.86802 0.15444 0.20216 ++ {0.0} {} {} 119.21597 0.73420 0.93497 ++ {0.0} {} 0.0 0.1573 0 {} 0 0 0 176 {} 8.10142 0.04085 0.04413 ++ {0.0} {} {} 7.51606 0.13882 0.15275 ++ {0.0} {} {} 119.20744 0.58524 0.64204 ++ {0.0} {} 0.0 0.1204 0 {} 0 0 0 177 {} 7.77386 0.02312 0.02442 ++ {0.0} {} {} 7.46640 0.12623 0.13621 ++ {0.0} {} {} 119.17813 0.62450 0.67334 ++ {0.0} {} 0.0 0.1180 0 {} 0 0 0 178 {} 7.69302 0.02116 0.00930 ++ {0.0} {} {} 7.46539 0.12823 0.05634 ++ {0.0} {} {} 119.18800 0.67608 0.29928 ++ {0.0} {} 0.0 0.0696 0 {} 0 0 0 179 {} 7.62360 0.02391 0.01067 ++ {0.0} {} {} 7.47455 0.05594 0.05486 ++ {0.0} {} {} 119.18743 0.64526 0.28865 ++ {0.0} {} 0.0 0.0699 0 {} 0 0 0 180 {} 7.56447 0.01518 0.03913 ++ {0.0} {} {} 7.48230 0.11632 0.13595 ++ {0.0} {} {} 119.18253 0.72411 0.84035 ++ {0.0} {} 0.0 0.1308 0 {} 0 0 0 181 {} 7.47112 0.02540 0.23017 ++ {0.0} {} {} 7.46773 0.11843 0.16918 ++ {0.0} {} {} 119.18679 0.61072 1.33923 ++ {0.0} {} 0.0 7.8609 0 {} 0 0 0 182 {} 7.37903 0.02257 0.03224 ++ {0.0} {} {} 7.45742 0.16263 0.19105 ++ {0.0} {} {} 119.15926 0.60390 0.75524 ++ {0.0} {} 0.0 0.1395 0 {} 0 0 0 183 {} 7.31676 0.02953 0.02262 ++ {0.0} {} {} 7.46707 0.12090 0.09353 ++ {0.0} {} {} 119.17651 0.57884 0.44790 ++ {0.0} {} 0.0 0.0886 0 {} 0 0 0 184 {} 7.24912 0.01529 0.00905 ++ {0.0} {} {} 7.46794 0.11667 0.06908 ++ {0.0} {} {} 119.18806 0.56801 0.33633 ++ {0.0} {} 0.0 0.0772 0 {} 0 0 0 185 {} 7.17003 0.02600 0.03009 ++ {0.0} {} {} 7.46788 0.11864 0.13527 ++ {0.0} {} {} 119.18533 0.57456 0.65873 ++ {0.0} {} 0.0 0.1264 0 {} 0 0 0 186 {} 7.47115 0.02521 0.00419 ++ {0.0} {} {} 6.88163 0.10423 0.01699 ++ {0.0} {} {} 119.20408 0.65296 0.10806 ++ {0.0} {} 0.0 0.0592 0 {} 0 0 0 187 {} 8.10611 0.03049 0.02738 ++ {0.0} {} {} 6.81851 0.11196 0.09764 ++ {0.0} {} {} 119.24355 0.46301 0.40378 ++ {0.0} {} 0.0 0.0964 0 {} 0 0 0 188 {} 7.47091 0.02439 0.02051 ++ {0.0} {} {} 4.77874 0.18322 0.15404 ++ {0.0} {} {} 119.17779 0.58312 0.48936 ++ {0.0} {} 0.0 0.0936 0 {} 0 0 0 189 {} 8.09048 0.03846 0.06417 ++ {0.0} {} {} 4.08398 0.16309 0.26039 ++ {0.0} {} {} 119.09358 0.55176 1.48348 ++ {0.0} {} 0.0 0.6002 0 {} 0 0 0 190 {} 7.47195 0.02417 0.04857 ++ {0.0} {} {} 4.07856 0.20485 0.29264 ++ {0.0} {} {} 119.18598 0.57820 1.04966 ++ {0.0} {} 0.0 0.4294 0 {} 0 0 0 191 {} 8.10193 0.03806 0.07795 ++ {0.0} {} {} 3.85158 0.13575 0.22686 ++ {0.0} {} {} 119.21557 0.66988 1.11829 ++ {0.0} {} 0.0 0.4121 0 {} 0 0 0 192 {} 7.87188 0.02429 0.01847 ++ {0.0} {} {} 3.72998 0.12194 0.09388 ++ {0.0} {} {} 119.26910 0.48617 0.37428 ++ {0.0} {} 0.0 0.0884 0 {} 0 0 0 193 {} 7.87191 0.02816 0.00953 ++ {0.0} {} {} 3.15536 0.12267 0.04220 ++ {0.0} {} {} 119.29163 0.43722 0.15039 ++ {0.0} {} 0.0 0.0656 0 {} 0 0 0 194 {} 8.10613 0.02693 0.05405 ++ {0.0} {} {} 2.91077 0.15132 0.21618 ++ {0.0} {} {} 119.23463 0.58416 1.11516 ++ {0.0} {} 0.0 0.4462 0 {} 0 0 0 195 {} 8.09003 0.03283 0.05630 ++ {0.0} {} {} 2.38558 0.11294 0.35496 ++ {0.0} {} {} 119.06731 0.50331 1.05238 ++ {0.0} {} 0.0 0.2709 0 {} 0 0 0 196 {} 7.47114 0.02572 0.03542 ++ {0.0} {} {} 2.29412 0.09285 0.26751 ++ {0.0} {} {} 119.18555 0.57919 0.82081 ++ {0.0} {} 0.0 0.1758 0 {} 0 0 0 197 {} 8.08927 0.01904 0.08182 ++ {0.0} {} {} 2.09015 0.16804 0.24005 ++ {0.0} {} {} 119.04432 0.43677 1.24431 ++ {0.0} {} 0.0 0.8575 0 {} 0 0 0 198 {} 7.47119 0.02516 0.06290 ++ {0.0} {} {} 1.93595 0.15876 0.22680 ++ {0.0} {} {} 119.18626 0.60762 1.17200 ++ {0.0} {} 0.0 1.0913 0 {} 0 0 0 199 {} 7.87197 0.02462 0.10687 ++ {0.0} {} {} 1.86423 0.14553 0.20790 ++ {0.0} {} {} 119.27377 0.48624 1.24820 ++ {0.0} {} 0.0 1.3838 0 {} 0 0 0 200 {} 8.10369 0.03324 0.07523 ++ {0.0} {} {} 1.82541 0.14795 0.26113 ++ {0.0} {} {} 119.23441 0.59002 1.30658 ++ {0.0} {} 0.0 1.1940 0 {} 0 0 0 201 {} 8.10540 0.02936 0.05022 ++ {0.0} {} {} 1.47596 0.10302 0.32378 ++ {0.0} {} {} 119.24076 0.54923 1.00095 ++ {0.0} {} 0.0 0.2873 0 {} 0 0 0 202 {} 8.13672 0.01221 0.00161 ++ {0.0} {} {} 10.23822 0.09320 0.01229 ++ {0.0} {} {} 118.90421 0.38485 0.05074 ++ {0.0} {} 0.0 0.0582 -1 {} 0 0 0 203 {} 8.30873 0.02571 0.01480 ++ {0.0} {} {} 10.22764 0.10184 0.04697 ++ {0.0} {} {} 118.98260 0.64434 0.29718 ++ {0.0} {} 0.0 0.0706 -1 {} 0 0 0 204 {} 8.04848 0.01867 0.01879 ++ {0.0} {} {} 10.22719 0.11391 0.11467 ++ {0.0} {} {} 119.00658 0.56626 0.57007 ++ {0.0} {} 0.0 0.1094 -1 {} 0 0 0 205 {} 8.34995 0.02459 0.00810 ++ {0.0} {} {} 8.94062 0.07664 0.02516 ++ {0.0} {} {} 118.80879 0.43539 0.14296 ++ {0.0} {} 0.0 0.0650 0 {} 0 0 0 206 {} 8.65274 0.02711 0.02242 ++ {0.0} {} {} 8.35326 0.15668 0.11678 ++ {0.0} {} {} 118.75526 0.43067 0.32090 ++ {0.0} {} 0.0 0.0866 0 {} 0 0 0 207 {} 8.34981 0.02580 0.16120 ++ {0.0} {} {} 8.34744 0.14486 0.20694 ++ {0.0} {} {} 118.76340 0.67457 1.84416 ++ {0.0} {} 0.0 7.6579 0 {} 0 0 0 208 {} 8.26207 0.02731 0.13971 ++ {0.0} {} {} 8.26530 0.12040 0.17199 ++ {0.0} {} {} 118.98336 0.48226 1.01751 ++ {0.0} {} 0.0 4.8960 0 {} 0 0 0 209 {} 7.79928 0.02836 0.07287 ++ {0.0} {} {} 8.09833 0.13971 0.19959 ++ {0.0} {} {} 118.89375 0.71745 1.33357 ++ {0.0} {} 0.0 0.8870 0 {} 0 0 0 210 {} 8.34993 0.02447 0.04027 ++ {0.0} {} {} 7.87322 0.18499 0.26427 ++ {0.0} {} {} 118.76469 0.41789 0.75161 ++ {0.0} {} 0.0 0.3309 0 {} 0 0 0 211 {} 7.84828 0.03189 0.04910 ++ {0.0} {} {} 7.85009 0.11433 0.16332 ++ {0.0} {} {} 118.81001 0.69695 1.75683 ++ {0.0} {} 0.0 9.6486 0 {} 0 0 0 212 {} 7.80029 0.02777 0.05373 ++ {0.0} {} {} 7.79989 0.14305 0.20435 ++ {0.0} {} {} 118.85457 0.61738 0.88197 ++ {0.0} {} 0.0 7.9778 0 {} 0 0 0 213 {} 7.70115 0.03698 0.05067 ++ {0.0} {} {} 7.81578 0.06158 0.19383 ++ {0.0} {} {} 118.85437 0.62538 0.85674 ++ {0.0} {} 0.0 0.1604 0 {} 0 0 0 214 {} 7.64444 0.03186 0.03790 ++ {0.0} {} {} 7.82544 0.11759 0.14536 ++ {0.0} {} {} 118.87152 0.74389 0.89987 ++ {0.0} {} 0.0 0.1423 0 {} 0 0 0 215 {} 7.49819 0.03343 0.03356 ++ {0.0} {} {} 7.80859 0.12195 0.12248 ++ {0.0} {} {} 118.86263 0.62136 0.62406 ++ {0.0} {} 0.0 0.1092 0 {} 0 0 0 216 {} 7.84811 0.02801 0.02121 ++ {0.0} {} {} 7.26144 0.11001 0.09469 ++ {0.0} {} {} 118.79961 0.50551 0.43513 ++ {0.0} {} 0.0 0.0954 0 {} 0 0 0 217 {} 7.80049 0.02749 0.00810 ++ {0.0} {} {} 7.20831 0.08404 0.02293 ++ {0.0} {} {} 118.84555 0.65177 0.17782 ++ {0.0} {} 0.0 0.0629 0 {} 0 0 0 218 {} 7.80024 0.02560 0.02888 ++ {0.0} {} {} 6.82547 0.13603 0.15548 ++ {0.0} {} {} 118.85263 0.62091 0.70748 ++ {0.0} {} 0.0 0.1255 0 {} 0 0 0 219 {} 8.12297 0.02048 0.01589 ++ {0.0} {} {} 6.58537 0.11917 0.09246 ++ {0.0} {} {} 118.91734 0.61369 0.47613 ++ {0.0} {} 0.0 0.0888 0 {} 0 0 0 220 {} 7.80071 0.02647 0.01164 ++ {0.0} {} {} 6.55010 0.17165 0.06923 ++ {0.0} {} {} 118.87041 0.66886 0.28070 ++ {0.0} {} 0.0 0.0684 0 {} 0 0 0 221 {} 8.26143 0.02840 0.04415 ++ {0.0} {} {} 4.77433 0.16152 0.25467 ++ {0.0} {} {} 119.00909 0.46767 0.97635 ++ {0.0} {} 0.0 0.2802 0 {} 0 0 0 222 {} 8.11804 0.03620 0.07384 ++ {0.0} {} {} 4.76677 0.18220 0.28126 ++ {0.0} {} {} 118.93942 0.58679 1.07769 ++ {0.0} {} 0.0 0.2525 0 {} 0 0 0 223 {} 8.00046 0.02127 0.04046 ++ {0.0} {} {} 4.77202 0.16070 0.25036 ++ {0.0} {} {} 118.91887 0.60075 1.13031 ++ {0.0} {} 0.0 0.2846 0 {} 0 0 0 224 {} 7.80007 0.02881 0.04744 ++ {0.0} {} {} 4.67109 0.12856 0.25329 ++ {0.0} {} {} 118.85821 0.59970 0.96599 ++ {0.0} {} 0.0 0.2507 0 {} 0 0 0 225 {} 8.35031 0.02413 0.00314 ++ {0.0} {} {} 4.57848 0.13706 0.01766 ++ {0.0} {} {} 118.75470 0.46614 0.06007 ++ {0.0} {} 0.0 0.0581 0 {} 0 0 0 226 {} 8.35004 0.02518 0.03578 ++ {0.0} {} {} 4.17210 0.11896 0.23597 ++ {0.0} {} {} 118.75636 0.44381 0.64409 ++ {0.0} {} 0.0 0.1981 0 {} 0 0 0 227 {} 8.00041 0.01915 0.08941 ++ {0.0} {} {} 4.17073 0.12019 0.26349 ++ {0.0} {} {} 118.93373 0.26982 1.27666 ++ {0.0} {} 0.0 0.6080 0 {} 0 0 0 228 {} 7.84807 0.02711 0.07523 ++ {0.0} {} {} 4.08448 0.14494 0.26646 ++ {0.0} {} {} 118.79720 0.52390 1.28609 ++ {0.0} {} 0.0 0.7996 0 {} 0 0 0 229 {} 7.80022 0.03039 0.04785 ++ {0.0} {} {} 4.05862 0.12017 0.21964 ++ {0.0} {} {} 118.85055 0.61515 1.01891 ++ {0.0} {} 0.0 0.2535 0 {} 0 0 0 230 {} 8.26178 0.02779 0.04423 ++ {0.0} {} {} 3.95556 0.13446 0.23821 ++ {0.0} {} {} 119.00013 0.41412 0.67504 ++ {0.0} {} 0.0 0.2938 0 {} 0 0 0 231 {} 8.34990 0.02546 0.04210 ++ {0.0} {} {} 3.56770 0.05205 0.25315 ++ {0.0} {} {} 118.75867 0.43934 0.88476 ++ {0.0} {} 0.0 0.3654 0 {} 0 0 0 232 {} 8.34973 0.02589 0.03572 ++ {0.0} {} {} 3.11965 0.17489 0.24406 ++ {0.0} {} {} 118.76514 0.45660 0.67236 ++ {0.0} {} 0.0 0.2061 0 {} 0 0 0 233 {} 8.12050 0.02946 0.06471 ++ {0.0} {} {} 3.13279 0.14770 0.26314 ++ {0.0} {} {} 118.90207 0.61293 1.21611 ++ {0.0} {} 0.0 0.7556 0 {} 0 0 0 234 {} 7.80022 0.02687 0.06704 ++ {0.0} {} {} 2.90968 0.15264 0.26173 ++ {0.0} {} {} 118.85455 0.61889 1.23292 ++ {0.0} {} 0.0 1.0788 0 {} 0 0 0 235 {} 8.26206 0.02611 0.00578 ++ {0.0} {} {} 2.77617 0.18360 0.04379 ++ {0.0} {} {} 118.99980 0.41091 0.09128 ++ {0.0} {} 0.0 0.0611 0 {} 0 0 0 236 {} 8.11982 0.02881 0.05582 ++ {0.0} {} {} 2.73509 0.12392 0.25941 ++ {0.0} {} {} 118.90374 0.60291 1.07091 ++ {0.0} {} 0.0 0.3900 0 {} 0 0 0 237 {} 7.84791 0.02299 0.05224 ++ {0.0} {} {} 2.58379 0.14334 0.20476 ++ {0.0} {} {} 118.79173 0.48952 1.06490 ++ {0.0} {} 0.0 0.4373 0 {} 0 0 0 238 {} 8.26186 0.02722 0.04849 ++ {0.0} {} {} 2.34894 0.15880 0.22686 ++ {0.0} {} {} 118.99529 0.71084 1.54168 ++ {0.0} {} 0.0 0.3470 0 {} 0 0 0 239 {} 8.26169 0.02790 0.07360 ++ {0.0} {} {} 2.06659 0.26054 0.37220 ++ {0.0} {} {} 118.99368 0.48061 1.01751 ++ {0.0} {} 0.0 0.7054 0 {} 0 0 0 240 {} 7.84804 0.02698 0.07523 ++ {0.0} {} {} 2.10108 0.10141 0.31873 ++ {0.0} {} {} 118.79582 0.49842 1.25682 ++ {0.0} {} 0.0 1.0020 0 {} 0 0 0 241 {} 7.80014 0.03048 0.05051 ++ {0.0} {} {} 2.06653 0.11831 0.37184 ++ {0.0} {} {} 118.84950 0.59679 1.07080 ++ {0.0} {} 0.0 0.3295 0 {} 0 0 0 242 {} 8.34982 0.02590 0.06675 ++ {0.0} {} {} 1.90796 0.13110 0.30014 ++ {0.0} {} {} 118.75909 0.44519 1.15334 ++ {0.0} {} 0.0 0.9028 0 {} 0 0 0 243 {} 8.51420 0.01318 0.00055 ++ {0.0} {} {} 10.22660 0.13573 0.00562 ++ {0.0} {} {} 118.65392 0.36944 0.01529 ++ {0.0} {} 0.0 0.0555 -1 {} 0 0 0 244 {} 8.81218 0.01886 0.00216 ++ {0.0} {} {} 8.50802 0.10708 0.01229 ++ {0.0} {} {} 118.66140 0.43758 0.05022 ++ {0.0} {} 0.0 0.0577 0 {} 0 0 0 245 {} 8.50961 0.02098 0.14729 ++ {0.0} {} {} 8.50488 0.10991 0.15702 ++ {0.0} {} {} 118.66489 0.43697 1.14730 ++ {0.0} {} 0.0 5.3964 0 {} 0 0 0 246 {} 8.50947 0.01942 0.03977 ++ {0.0} {} {} 7.99652 0.14341 0.20488 ++ {0.0} {} {} 118.66694 0.42828 0.81442 ++ {0.0} {} 0.0 0.3638 0 {} 0 0 0 247 {} 8.50967 0.02154 0.04788 ++ {0.0} {} {} 4.77815 0.16692 0.25586 ++ {0.0} {} {} 118.65923 0.48356 0.87866 ++ {0.0} {} 0.0 0.2599 0 {} 0 0 0 248 {} 8.50993 0.02447 0.02366 ++ {0.0} {} {} 4.39024 0.10028 0.09862 ++ {0.0} {} {} 118.65729 0.46594 0.45821 ++ {0.0} {} 0.0 0.1069 0 {} 0 0 0 249 {} 8.51042 0.02283 0.05647 ++ {0.0} {} {} 3.96325 0.13029 0.26550 ++ {0.0} {} {} 118.66171 0.47802 1.02627 ++ {0.0} {} 0.0 0.4209 0 {} 0 0 0 250 {} 8.50953 0.02075 0.01051 ++ {0.0} {} {} 2.78118 0.16375 0.08487 ++ {0.0} {} {} 118.64919 0.48944 0.24797 ++ {0.0} {} 0.0 0.0728 0 {} 0 0 0 251 {} 8.50969 0.01975 0.06268 ++ {0.0} {} {} 2.16765 0.18101 0.25859 ++ {0.0} {} {} 118.66536 0.44018 1.05493 ++ {0.0} {} 0.0 0.9270 0 {} 0 0 0 252 {} 7.95845 0.02645 0.02341 ++ {0.0} {} {} 8.54356 0.11981 0.10316 ++ {0.0} {} {} 118.33513 0.52417 0.45134 ++ {0.0} {} 0.0 0.0954 0 {} 0 0 0 253 {} 7.95833 0.02717 0.22794 ++ {0.0} {} {} 7.95604 0.10807 0.28486 ++ {0.0} {} {} 118.32790 0.50159 1.28008 ++ {0.0} {} 0.0 9.0079 0 {} 0 0 0 254 {} 7.95780 0.02670 0.01897 ++ {0.0} {} {} 7.38421 0.16336 0.11711 ++ {0.0} {} {} 118.32412 0.54962 0.35953 ++ {0.0} {} 0.0 0.0808 0 {} 0 0 0 255 {} 6.80103 0.01618 0.01198 ++ {0.0} {} {} 6.80768 0.11080 0.08198 ++ {0.0} {} {} 118.29617 1.09069 1.98560 ++ {0.0} {} 0.0 0.0863 0 {} 0 0 0 256 {} 7.95809 0.02728 0.03404 ++ {0.0} {} {} 4.75703 0.16274 0.21576 ++ {0.0} {} {} 118.33255 0.54472 0.74772 ++ {0.0} {} 0.0 0.1591 0 {} 0 0 0 257 {} 7.95834 0.02541 0.04806 ++ {0.0} {} {} 4.15878 0.19545 0.27921 ++ {0.0} {} {} 118.32763 0.53979 1.21645 ++ {0.0} {} 0.0 0.5798 0 {} 0 0 0 258 {} 7.95847 0.02729 0.04313 ++ {0.0} {} {} 2.48558 0.08182 0.27674 ++ {0.0} {} {} 118.32588 0.50971 1.00117 ++ {0.0} {} 0.0 0.3305 0 {} 0 0 0 259 {} 7.95834 0.02734 0.06214 ++ {0.0} {} {} 2.11315 0.12054 0.29005 ++ {0.0} {} {} 118.32833 0.50263 1.20754 ++ {0.0} {} 0.0 1.1243 0 {} 0 0 0 260 {} 8.74216 0.01134 0.00828 ++ {0.0} {} {} 10.22552 0.10207 0.20224 ++ {0.0} {} {} 117.94012 0.35909 0.26204 ++ {0.0} {} 0.0 0.0856 -1 {} 0 0 0 261 {} 8.25445 0.01839 0.01208 ++ {0.0} {} {} 8.83333 0.14810 0.10050 ++ {0.0} {} {} 117.97492 0.53015 0.34833 ++ {0.0} {} 0.0 0.0809 0 {} 0 0 0 262 {} 8.74660 0.02738 0.08557 ++ {0.0} {} {} 8.74960 0.14300 0.26138 ++ {0.0} {} {} 117.89333 0.49515 1.22698 ++ {0.0} {} 0.0 2.7627 0 {} 0 0 0 263 {} 8.25496 0.02081 0.13121 ++ {0.0} {} {} 8.25826 0.10663 0.28148 ++ {0.0} {} {} 117.96879 0.59743 1.30589 ++ {0.0} {} 0.0 7.9905 0 {} 0 0 0 264 {} 8.25516 0.02062 0.05231 ++ {0.0} {} {} 7.56206 0.16314 0.23306 ++ {0.0} {} {} 117.96997 0.59098 1.11597 ++ {0.0} {} 0.0 0.6983 0 {} 0 0 0 265 {} 8.74664 0.02399 0.04025 ++ {0.0} {} {} 7.46644 0.12069 0.20661 ++ {0.0} {} {} 117.90260 0.52439 0.89572 ++ {0.0} {} 0.0 0.2285 0 {} 0 0 0 266 {} 8.74667 0.02783 0.06155 ++ {0.0} {} {} 4.77546 0.16099 0.25908 ++ {0.0} {} {} 117.89300 0.55122 1.25659 ++ {0.0} {} 0.0 0.6242 0 {} 0 0 0 267 {} 8.25509 0.02118 0.01365 ++ {0.0} {} {} 4.44649 0.10306 0.06641 ++ {0.0} {} {} 117.95417 0.59456 0.38314 ++ {0.0} {} 0.0 0.0802 0 {} 0 0 0 268 {} 8.25412 0.02196 0.04092 ++ {0.0} {} {} 4.16126 0.10506 0.33020 ++ {0.0} {} {} 117.97178 0.61599 1.08710 ++ {0.0} {} 0.0 0.3625 0 {} 0 0 0 269 {} 8.74722 0.02629 0.04700 ++ {0.0} {} {} 4.11582 0.28873 0.41247 ++ {0.0} {} {} 117.89430 0.50707 0.96240 ++ {0.0} {} 0.0 0.2905 0 {} 0 0 0 270 {} 8.25500 0.02026 0.03798 ++ {0.0} {} {} 2.42779 0.18869 0.27784 ++ {0.0} {} {} 117.96816 0.59577 1.03483 ++ {0.0} {} 0.0 0.2857 0 {} 0 0 0 271 {} 8.74697 0.02531 0.03710 ++ {0.0} {} {} 2.26864 0.09747 0.30633 ++ {0.0} {} {} 117.89327 0.52242 0.78792 ++ {0.0} {} 0.0 0.1849 0 {} 0 0 0 272 {} 8.25484 0.02050 0.05626 ++ {0.0} {} {} 2.09684 0.16007 0.22867 ++ {0.0} {} {} 117.96995 0.59791 1.24293 ++ {0.0} {} 0.0 0.8968 0 {} 0 0 0 273 {} 8.74674 0.02736 0.05798 ++ {0.0} {} {} 2.00197 0.09562 0.30051 ++ {0.0} {} {} 117.89349 0.51656 1.12709 ++ {0.0} {} 0.0 0.5833 0 {} 0 0 0 274 {} 8.25586 0.01655 0.01324 ++ {0.0} {} {} 1.56416 0.11340 0.09074 ++ {0.0} {} {} 117.96992 0.52974 0.42386 ++ {0.0} {} 0.0 0.0906 0 {} 0 0 0 275 {} 8.25653 0.01899 0.00389 ++ {0.0} {} {} 1.26398 0.15243 0.03159 ++ {0.0} {} {} 117.95853 0.50976 0.10439 ++ {0.0} {} 0.0 0.0605 0 {} 0 0 0 276 {} 8.25552 0.01843 0.02108 ++ {0.0} {} {} 0.90421 0.11670 0.13347 ++ {0.0} {} {} 117.96288 0.52959 0.60676 ++ {0.0} {} 0.0 0.1269 0 {} 0 0 0 277 {} 8.09349 0.02431 0.01672 ++ {0.0} {} {} 8.66805 0.09679 0.06871 ++ {0.0} {} {} 117.50706 0.43504 0.30882 ++ {0.0} {} 0.0 0.0843 0 {} 0 0 0 278 {} 8.13746 0.01808 0.03783 ++ {0.0} {} {} 8.50519 0.12368 0.22686 ++ {0.0} {} {} 117.60040 0.52409 1.05854 ++ {0.0} {} 0.0 0.3871 0 {} 0 0 0 279 {} 8.13729 0.01962 0.05373 ++ {0.0} {} {} 8.13735 0.13714 0.19592 ++ {0.0} {} {} 117.59822 0.53788 1.59199 ++ {0.0} {} 0.0 9.4874 0 {} 0 0 0 280 {} 8.09336 0.02593 0.05373 ++ {0.0} {} {} 8.08925 0.10960 0.27365 ++ {0.0} {} {} 117.53622 0.45748 1.24297 ++ {0.0} {} 0.0 9.5596 0 {} 0 0 0 281 {} 8.13663 0.02065 0.05373 ++ {0.0} {} {} 7.86094 0.15880 0.22686 ++ {0.0} {} {} 117.59872 0.53500 1.14257 ++ {0.0} {} 0.0 0.5915 0 {} 0 0 0 282 {} 8.13661 0.01957 0.01550 ++ {0.0} {} {} 7.55411 0.09885 0.07832 ++ {0.0} {} {} 117.59594 0.52484 0.41586 ++ {0.0} {} 0.0 0.0900 0 {} 0 0 0 283 {} 8.09395 0.02561 0.01808 ++ {0.0} {} {} 7.51918 0.17543 0.14363 ++ {0.0} {} {} 117.50166 0.42605 0.30008 ++ {0.0} {} 0.0 0.0839 0 {} 0 0 0 284 {} 8.13771 0.01810 0.03807 ++ {0.0} {} {} 4.55584 0.12218 0.24195 ++ {0.0} {} {} 117.60131 0.53878 1.04585 ++ {0.0} {} 0.0 0.3688 0 {} 0 0 0 285 {} 8.09310 0.02410 0.01920 ++ {0.0} {} {} 4.56108 0.15935 0.12999 ++ {0.0} {} {} 117.53379 0.44251 0.37123 ++ {0.0} {} 0.0 0.0936 0 {} 0 0 0 286 {} 8.13729 0.02675 0.04801 ++ {0.0} {} {} 4.14191 0.15855 0.24021 ++ {0.0} {} {} 117.59746 0.53430 0.85907 ++ {0.0} {} 0.0 0.2002 0 {} 0 0 0 287 {} 8.09300 0.02565 0.05705 ++ {0.0} {} {} 4.08055 0.14918 0.26833 ++ {0.0} {} {} 117.53776 0.46936 1.12404 ++ {0.0} {} 0.0 0.6388 0 {} 0 0 0 288 {} 8.13716 0.01937 0.03105 ++ {0.0} {} {} 3.81648 0.13695 0.21987 ++ {0.0} {} {} 117.60468 0.56937 0.91293 ++ {0.0} {} 0.0 0.2001 0 {} 0 0 0 289 {} 8.13739 0.01846 0.03865 ++ {0.0} {} {} 3.44234 0.11044 0.25776 ++ {0.0} {} {} 117.60079 0.54147 1.09267 ++ {0.0} {} 0.0 0.4696 0 {} 0 0 0 290 {} 8.13781 0.01689 0.03072 ++ {0.0} {} {} 3.19165 0.16898 0.25168 ++ {0.0} {} {} 117.59819 0.53630 0.96004 ++ {0.0} {} 0.0 0.2488 0 {} 0 0 0 291 {} 8.09337 0.02572 0.04214 ++ {0.0} {} {} 2.41238 0.11316 0.21631 ++ {0.0} {} {} 117.53952 0.47244 0.89774 ++ {0.0} {} 0.0 0.2848 0 {} 0 0 0 292 {} 8.13690 0.02220 0.05373 ++ {0.0} {} {} 2.08675 0.16245 0.23208 ++ {0.0} {} {} 117.59563 0.53452 1.14360 ++ {0.0} {} 0.0 0.6320 0 {} 0 0 0 293 {} 8.09338 0.02606 0.06065 ++ {0.0} {} {} 2.02851 0.11489 0.36109 ++ {0.0} {} {} 117.53801 0.46772 1.20149 ++ {0.0} {} 0.0 0.9593 0 {} 0 0 0 294 {} 8.45627 0.03681 0.01062 ++ {0.0} {} {} 8.45782 0.10092 0.01966 ++ {0.0} {} {} 117.24287 0.54835 0.69897 ++ {0.0} {} 0.0 0.0602 0 {} 0 0 0 295 {} 6.78852 0.01976 0.01270 ++ {0.0} {} {} 6.79617 0.11275 0.07246 ++ {0.0} {} {} 116.57947 0.71226 1.01751 ++ {0.0} {} 0.0 0.0801 0 {} 0 0 0 296 {} 7.96394 0.02068 0.01343 ++ {0.0} {} {} 8.52621 0.10621 0.06896 ++ {0.0} {} {} 116.39730 0.65675 0.43037 ++ {0.0} {} 0.0 0.0805 0 {} 0 0 0 297 {} 8.54432 0.03225 0.02349 ++ {0.0} {} {} 8.28908 0.12141 0.07036 ++ {0.0} {} {} 116.27268 0.45928 0.26618 ++ {0.0} {} 0.0 0.0765 0 {} 0 0 0 298 {} 8.29369 0.01932 0.05880 ++ {0.0} {} {} 8.29042 0.14186 0.26011 ++ {0.0} {} {} 116.26328 0.40796 1.18145 ++ {0.0} {} 0.0 6.0617 0 {} 0 0 0 299 {} 8.21957 0.04205 0.00442 ++ {0.0} {} {} 8.27223 0.17033 0.01537 ++ {0.0} {} {} 116.27786 0.45268 0.04056 ++ {0.0} {} 0.0 0.0569 0 {} 0 0 0 300 {} 8.04582 0.03323 0.02457 ++ {0.0} {} {} 8.28577 0.14595 0.08953 ++ {0.0} {} {} 116.26293 0.41149 0.25243 ++ {0.0} {} 0.0 0.0784 0 {} 0 0 0 301 {} 7.62291 0.02747 0.05296 ++ {0.0} {} {} 8.25000 0.10184 0.21425 ++ {0.0} {} {} 116.38577 0.61220 1.10164 ++ {0.0} {} 0.0 0.3777 0 {} 0 0 0 302 {} 8.21149 0.03154 0.03016 ++ {0.0} {} {} 7.96285 0.09944 0.09083 ++ {0.0} {} {} 116.41984 0.66298 0.60861 ++ {0.0} {} 0.0 0.1000 0 {} 0 0 0 303 {} 7.96439 0.02533 0.17926 ++ {0.0} {} {} 7.96320 0.09981 0.28675 ++ {0.0} {} {} 116.41160 0.63888 1.69154 ++ {0.0} {} 0.0 8.8637 0 {} 0 0 0 304 {} 7.82422 0.02164 0.01170 ++ {0.0} {} {} 7.96314 0.11516 0.06210 ++ {0.0} {} {} 116.40905 0.59356 0.32008 ++ {0.0} {} 0.0 0.0744 0 {} 0 0 0 305 {} 7.71866 0.02438 0.02639 ++ {0.0} {} {} 7.96283 0.10611 0.11086 ++ {0.0} {} {} 116.41030 0.63160 0.66036 ++ {0.0} {} 0.0 0.1138 0 {} 0 0 0 306 {} 7.87068 0.03336 0.02720 ++ {0.0} {} {} 7.61739 0.10086 0.07129 ++ {0.0} {} {} 116.40465 0.63060 0.44977 ++ {0.0} {} 0.0 0.0841 0 {} 0 0 0 307 {} 7.62258 0.02695 0.19413 ++ {0.0} {} {} 7.62021 0.10042 0.28960 ++ {0.0} {} {} 116.38612 0.64838 1.93407 ++ {0.0} {} 0.0 6.9433 0 {} 0 0 0 308 {} 7.96450 0.02000 0.04383 ++ {0.0} {} {} 7.50420 0.12314 0.28627 ++ {0.0} {} {} 116.41692 0.63760 1.12359 ++ {0.0} {} 0.0 0.4653 0 {} 0 0 0 309 {} 8.29361 0.01992 0.03881 ++ {0.0} {} {} 4.79168 0.07593 0.28629 ++ {0.0} {} {} 116.26823 0.44832 1.00320 ++ {0.0} {} 0.0 0.3925 0 {} 0 0 0 310 {} 7.62052 0.02114 0.03892 ++ {0.0} {} {} 4.77061 0.14651 0.23987 ++ {0.0} {} {} 116.39158 0.62585 1.05686 ++ {0.0} {} 0.0 0.3185 0 {} 0 0 0 311 {} 7.96467 0.02026 0.04264 ++ {0.0} {} {} 4.44886 0.10662 0.22591 ++ {0.0} {} {} 116.41387 0.64221 1.08470 ++ {0.0} {} 0.0 0.3732 0 {} 0 0 0 312 {} 7.62343 0.02770 0.01378 ++ {0.0} {} {} 4.44308 0.11048 0.05560 ++ {0.0} {} {} 116.38905 0.60819 0.30607 ++ {0.0} {} 0.0 0.0726 0 {} 0 0 0 313 {} 8.29406 0.01945 0.03214 ++ {0.0} {} {} 4.22597 0.15880 0.22686 ++ {0.0} {} {} 116.26483 0.41522 0.61324 ++ {0.0} {} 0.0 0.2078 0 {} 0 0 0 314 {} 7.62226 0.02688 0.04592 ++ {0.0} {} {} 4.18440 0.13446 0.19208 ++ {0.0} {} {} 116.38892 0.61589 0.98901 ++ {0.0} {} 0.0 0.2460 0 {} 0 0 0 315 {} 7.96450 0.01984 0.03316 ++ {0.0} {} {} 4.02713 0.14501 0.22448 ++ {0.0} {} {} 116.41422 0.64068 0.91660 ++ {0.0} {} 0.0 0.1970 0 {} 0 0 0 316 {} 8.29394 0.01913 0.03809 ++ {0.0} {} {} 3.96277 0.11884 0.24491 ++ {0.0} {} {} 116.26099 0.41399 0.80735 ++ {0.0} {} 0.0 0.3866 0 {} 0 0 0 317 {} 7.96474 0.02030 0.02954 ++ {0.0} {} {} 3.73141 0.13294 0.18487 ++ {0.0} {} {} 116.41530 0.64473 0.82291 ++ {0.0} {} 0.0 0.1543 0 {} 0 0 0 318 {} 7.96447 0.02538 0.05544 ++ {0.0} {} {} 3.25946 0.15052 0.24521 ++ {0.0} {} {} 116.41279 0.64017 1.16515 ++ {0.0} {} 0.0 0.6812 0 {} 0 0 0 319 {} 7.62257 0.02684 0.05007 ++ {0.0} {} {} 2.29813 0.15880 0.22686 ++ {0.0} {} {} 116.38540 0.60380 1.04872 ++ {0.0} {} 0.0 0.3134 0 {} 0 0 0 320 {} 8.29381 0.01899 0.02423 ++ {0.0} {} {} 2.22540 0.28873 0.41247 ++ {0.0} {} {} 116.27233 0.41603 0.51315 ++ {0.0} {} 0.0 0.1418 0 {} 0 0 0 321 {} 8.29392 0.01891 0.03765 ++ {0.0} {} {} 1.94596 0.17810 0.25443 ++ {0.0} {} {} 116.26192 0.41334 0.82576 ++ {0.0} {} 0.0 0.4044 0 {} 0 0 0 322 {} 7.96438 0.02015 0.05079 ++ {0.0} {} {} 1.97910 0.13116 0.18737 ++ {0.0} {} {} 116.41100 0.64148 1.13160 ++ {0.0} {} 0.0 0.5097 0 {} 0 0 0 323 {} 7.62268 0.03018 0.05681 ++ {0.0} {} {} 1.98476 0.11630 0.36553 ++ {0.0} {} {} 116.38544 0.60838 1.12924 ++ {0.0} {} 0.0 0.4784 0 {} 0 0 0 324 {} 7.96621 0.02269 0.01294 ++ {0.0} {} {} 1.61157 0.08918 0.12920 ++ {0.0} {} {} 116.40839 0.63646 0.36874 ++ {0.0} {} 0.0 0.0764 0 {} 0 0 0 325 {} 8.29271 0.02081 0.00732 ++ {0.0} {} {} 8.82105 0.19109 0.08921 ++ {0.0} {} {} 116.25352 0.37979 0.13371 ++ {0.0} {} 0.0 0.0660 0 {} 0 0 0 326 {} 7.50619 0.02707 0.05593 ++ {0.0} {} {} 7.97811 0.12342 0.17632 ++ {0.0} {} {} 116.13867 0.59167 1.10880 ++ {0.0} {} 0.0 0.3929 0 {} 0 0 0 327 {} 7.75586 0.02405 0.02244 ++ {0.0} {} {} 7.51057 0.13755 0.12181 ++ {0.0} {} {} 116.20990 0.33950 0.30065 ++ {0.0} {} 0.0 0.0975 0 {} 0 0 0 328 {} 7.50684 0.03678 0.22569 ++ {0.0} {} {} 7.51064 0.14399 0.26449 ++ {0.0} {} {} 116.13042 0.66530 1.18049 ++ {0.0} {} 0.0 10.4664 0 {} 0 0 0 329 {} 7.25690 0.04872 0.06199 ++ {0.0} {} {} 7.51305 0.12779 0.17297 ++ {0.0} {} {} 116.08191 0.73843 0.93370 ++ {0.0} {} 0.0 0.1545 0 {} 0 0 0 330 {} 7.50657 0.02970 0.01555 ++ {0.0} {} {} 6.93312 0.06432 0.08882 ++ {0.0} {} {} 116.13825 0.67769 0.42537 ++ {0.0} {} 0.0 0.0792 0 {} 0 0 0 331 {} 6.48444 0.01383 0.00175 ++ {0.0} {} {} 6.49992 0.14452 0.01833 ++ {0.0} {} {} 116.12759 0.75654 0.49112 ++ {0.0} {} 0.0 0.0580 0 {} 0 0 0 332 {} 7.50595 0.02884 0.02360 ++ {0.0} {} {} 4.44989 0.09960 0.08129 ++ {0.0} {} {} 116.14218 0.59576 0.48627 ++ {0.0} {} 0.0 0.0918 0 {} 0 0 0 333 {} 7.50706 0.03200 0.06093 ++ {0.0} {} {} 4.02886 0.12197 0.25366 ++ {0.0} {} {} 116.13449 0.62140 1.17283 ++ {0.0} {} 0.0 0.6460 0 {} 0 0 0 334 {} 7.50630 0.02551 0.04535 ++ {0.0} {} {} 3.25963 0.14755 0.25356 ++ {0.0} {} {} 116.14115 0.57956 1.03882 ++ {0.0} {} 0.0 0.3243 0 {} 0 0 0 335 {} 7.50644 0.02771 0.05165 ++ {0.0} {} {} 2.44704 0.15880 0.22686 ++ {0.0} {} {} 116.14080 0.59150 1.06237 ++ {0.0} {} 0.0 0.3357 0 {} 0 0 0 336 {} 7.50645 0.02822 0.06301 ++ {0.0} {} {} 2.17156 0.14693 0.20990 ++ {0.0} {} {} 116.13784 0.59902 1.26993 ++ {0.0} {} 0.0 1.0078 0 {} 0 0 0 337 {} 7.48303 0.03741 0.00084 ++ {0.0} {} {} 10.22139 0.16241 0.00279 ++ {0.0} {} {} 115.88808 0.66348 0.01195 ++ {0.0} {} 0.0 0.0548 -1 {} 0 0 0 338 {} 7.53395 0.02282 0.05668 ++ {0.0} {} {} 8.25895 0.10606 0.24217 ++ {0.0} {} {} 115.76139 0.58189 1.13750 ++ {0.0} {} 0.0 0.5404 0 {} 0 0 0 339 {} 7.78536 0.02607 0.02685 ++ {0.0} {} {} 7.52956 0.13448 0.13972 ++ {0.0} {} {} 115.78419 0.67178 0.69695 ++ {0.0} {} 0.0 0.1131 0 {} 0 0 0 340 {} 7.39189 0.01484 0.03289 ++ {0.0} {} {} 7.52400 0.16948 0.17133 ++ {0.0} {} {} 115.83298 0.71245 0.72028 ++ {0.0} {} 0.0 0.1099 0 {} 0 0 0 341 {} 7.53468 0.02444 0.06784 ++ {0.0} {} {} 4.05628 0.11055 0.26850 ++ {0.0} {} {} 115.76671 0.63639 1.19932 ++ {0.0} {} 0.0 0.5873 0 {} 0 0 0 342 {} 7.53371 0.02252 0.06332 ++ {0.0} {} {} 1.90210 0.11641 0.26628 ++ {0.0} {} {} 115.76073 0.58365 1.16141 ++ {0.0} {} 0.0 0.6352 0 {} 0 0 0 343 {} 7.53392 0.02255 0.04819 ++ {0.0} {} {} 1.55812 0.11179 0.22648 ++ {0.0} {} {} 115.75883 0.57727 1.07439 ++ {0.0} {} 0.0 0.3567 0 {} 0 0 0 344 {} 7.53385 0.02247 0.04549 ++ {0.0} {} {} 1.26444 0.13815 0.22888 ++ {0.0} {} {} 115.76151 0.57899 1.04770 ++ {0.0} {} 0.0 0.3283 0 {} 0 0 0 345 {} 7.53399 0.02360 0.03894 ++ {0.0} {} {} 0.89772 0.11419 0.18346 ++ {0.0} {} {} 115.76295 0.58563 0.93084 ++ {0.0} {} 0.0 0.2088 0 {} 0 0 0 346 {} 8.14363 0.00960 0.00281 ++ {0.0} {} {} 10.24401 0.03616 0.02333 ++ {0.0} {} {} 115.17686 0.30317 0.08891 ++ {0.0} {} 0.0 0.0637 -1 {} 0 0 0 347 {} 6.48455 0.01630 0.00022 ++ {0.0} {} {} 6.49842 0.15916 0.00213 ++ {0.0} {} {} 114.83608 1.07918 1.54168 ++ {0.0} {} 0.0 0.0547 0 {} 0 0 0 348 {} 7.49047 0.02079 0.00543 ++ {0.0} {} {} 7.49916 0.12110 0.03163 ++ {0.0} {} {} 114.56860 1.10801 0.19935 ++ {0.0} {} 0.0 0.0625 0 {} 0 0 0 349 {} 6.99855 0.01544 0.00985 ++ {0.0} {} {} 6.89146 0.14935 0.04464 ++ {0.0} {} {} 112.58871 0.67606 0.20208 ++ {0.0} {} 0.0 0.0639 0 {} 0 0 0 350 {} 6.56333 0.00499 0.00368 ++ {0.0} {} {} 6.57513 0.17657 0.13212 ++ {0.0} {} {} 112.57143 0.78666 0.59538 ++ {0.0} {} 0.0 0.0862 0 {} 0 0 0 351 {} 6.62119 0.01985 0.00116 ++ {0.0} {} {} 4.77509 0.14674 0.00851 ++ {0.0} {} {} 112.56978 0.48316 0.02816 ++ {0.0} {} 0.0 0.0560 0 {} 0 0 0 352 {} 6.62385 0.01585 0.00533 ++ {0.0} {} {} 2.35977 0.13489 0.04533 ++ {0.0} {} {} 112.56174 0.37901 0.12736 ++ {0.0} {} 0.0 0.0653 0 {} 0 0 0 353 {} 7.43383 0.00922 0.00137 ++ {0.0} {} {} 10.23022 0.13211 0.00893 ++ {0.0} {} {} 112.40843 0.88929 0.07831 ++ {0.0} {} 0.0 0.0562 -1 {} 0 0 0 354 {} 6.91281 0.02857 0.01957 ++ {0.0} {} {} 10.23230 0.12009 0.08921 ++ {0.0} {} {} 112.36495 0.79340 0.62262 ++ {0.0} {} 0.0 0.0865 -1 {} 0 0 0 355 {} 7.63819 0.01772 0.01655 ++ {0.0} {} {} 8.00567 0.10445 0.09755 ++ {0.0} {} {} 112.42659 0.59344 0.55422 ++ {0.0} {} 0.0 0.1020 0 {} 0 0 0 356 {} 7.38858 0.01738 0.01536 ++ {0.0} {} {} 7.92266 0.05177 0.10064 ++ {0.0} {} {} 112.52295 0.48317 0.42693 ++ {0.0} {} 0.0 0.0974 0 {} 0 0 0 357 {} 7.38751 0.01634 0.01503 ++ {0.0} {} {} 7.74003 0.04170 0.08441 ++ {0.0} {} {} 112.53887 0.47471 0.43677 ++ {0.0} {} 0.0 0.1007 0 {} 0 0 0 358 {} 7.93845 0.02139 0.00893 ++ {0.0} {} {} 7.64453 0.10070 0.04171 ++ {0.0} {} {} 112.41484 0.62312 0.26002 ++ {0.0} {} 0.0 0.0685 0 {} 0 0 0 359 {} 7.63805 0.02397 0.16559 ++ {0.0} {} {} 7.64137 0.10595 0.27312 ++ {0.0} {} {} 112.41453 0.63104 1.35326 ++ {0.0} {} 0.0 8.1591 0 {} 0 0 0 360 {} 7.38840 0.02349 0.06279 ++ {0.0} {} {} 7.38749 0.13576 0.22658 ++ {0.0} {} {} 112.53086 0.72830 1.99639 ++ {0.0} {} 0.0 11.2696 0 {} 0 0 0 361 {} 7.08878 0.02277 0.02388 ++ {0.0} {} {} 7.38562 0.12614 0.13234 ++ {0.0} {} {} 112.54877 0.43745 0.45895 ++ {0.0} {} 0.0 0.1143 0 {} 0 0 0 362 {} 6.62436 0.01464 0.04059 ++ {0.0} {} {} 7.38742 0.13479 0.27349 ++ {0.0} {} {} 112.55727 0.40450 1.18017 ++ {0.0} {} 0.0 3.3770 0 {} 0 0 0 363 {} 7.63743 0.01899 0.01839 ++ {0.0} {} {} 7.25000 0.14025 0.13407 ++ {0.0} {} {} 112.42589 0.60985 0.59056 ++ {0.0} {} 0.0 0.1054 0 {} 0 0 0 364 {} 7.38790 0.01677 0.01945 ++ {0.0} {} {} 7.03149 0.04825 0.12311 ++ {0.0} {} {} 112.54036 0.48401 0.56131 ++ {0.0} {} 0.0 0.1294 0 {} 0 0 0 365 {} 7.63787 0.01913 0.09672 ++ {0.0} {} {} 6.90681 0.13717 0.23192 ++ {0.0} {} {} 112.42088 0.59129 1.19544 ++ {0.0} {} 0.0 3.4693 0 {} 0 0 0 366 {} 7.38820 0.02315 0.06097 ++ {0.0} {} {} 6.62566 0.13482 0.19260 ++ {0.0} {} {} 112.54844 0.70474 1.95703 ++ {0.0} {} 0.0 3.7746 0 {} 0 0 0 367 {} 6.62463 0.02384 0.06336 ++ {0.0} {} {} 6.62604 0.13587 0.19410 ++ {0.0} {} {} 112.53970 0.52404 2.99365 ++ {0.0} {} 0.0 11.2180 0 {} 0 0 0 368 {} 6.40805 0.01320 0.01509 ++ {0.0} {} {} 6.62099 0.11358 0.03683 ++ {0.0} {} {} 112.53703 0.38605 0.12517 ++ {0.0} {} 0.0 0.0649 0 {} 0 0 0 369 {} 6.32568 0.02340 0.02698 ++ {0.0} {} {} 6.62241 0.12587 0.14422 ++ {0.0} {} {} 112.53964 0.44484 0.50971 ++ {0.0} {} 0.0 0.1273 0 {} 0 0 0 370 {} 6.62363 0.01384 0.01307 ++ {0.0} {} {} 6.27352 0.04455 0.09257 ++ {0.0} {} {} 112.55266 0.44954 0.42455 ++ {0.0} {} 0.0 0.1030 0 {} 0 0 0 371 {} 6.62418 0.01355 0.00972 ++ {0.0} {} {} 6.09407 0.05626 0.08879 ++ {0.0} {} {} 112.53782 0.45230 0.32446 ++ {0.0} {} 0.0 0.0847 0 {} 0 0 0 372 {} 7.63769 0.01984 0.03793 ++ {0.0} {} {} 4.77478 0.15509 0.25217 ++ {0.0} {} {} 112.41205 0.67843 1.12408 ++ {0.0} {} 0.0 0.3276 0 {} 0 0 0 373 {} 7.38710 0.01829 0.01857 ++ {0.0} {} {} 4.77370 0.14474 0.14682 ++ {0.0} {} {} 112.51708 0.59839 0.60736 ++ {0.0} {} 0.0 0.1103 0 {} 0 0 0 374 {} 7.63784 0.01892 0.01392 ++ {0.0} {} {} 2.38938 0.06997 0.11176 ++ {0.0} {} {} 112.40549 0.62826 0.46242 ++ {0.0} {} 0.0 0.0860 0 {} 0 0 0 375 {} 7.38844 0.01850 0.03277 ++ {0.0} {} {} 2.36275 0.14039 0.21490 ++ {0.0} {} {} 112.52752 0.52778 0.91740 ++ {0.0} {} 0.0 0.2087 0 {} 0 0 0 376 {} 7.80517 0.02472 0.01608 ++ {0.0} {} {} 10.23062 0.11837 0.08010 ++ {0.0} {} {} 112.01698 0.74857 0.51137 ++ {0.0} {} 0.0 0.0821 -1 {} 0 0 0 377 {} 7.59455 0.03726 0.02353 ++ {0.0} {} {} 10.23241 0.10935 0.05841 ++ {0.0} {} {} 112.15872 1.33750 0.64515 ++ {0.0} {} 0.0 0.0741 -1 {} 0 0 0 378 {} 7.47015 0.01694 0.00837 ++ {0.0} {} {} 10.23094 0.10314 0.01092 ++ {0.0} {} {} 112.23294 1.23114 0.08860 ++ {0.0} {} 0.0 0.0574 -1 {} 0 0 0 379 {} 7.10437 0.01945 0.01030 ++ {0.0} {} {} 10.23122 0.11999 0.06357 ++ {0.0} {} {} 112.08942 0.76931 0.43593 ++ {0.0} {} 0.0 0.0739 -1 {} 0 0 0 380 {} 6.88224 0.03419 0.04885 ++ {0.0} {} {} 10.23415 0.10359 0.04707 ++ {0.0} {} {} 112.10750 0.48253 0.73314 ++ {0.0} {} 0.0 0.0703 -1 {} 0 0 0 381 {} 6.81202 0.02020 0.00329 ++ {0.0} {} {} 10.23718 0.10901 0.01773 ++ {0.0} {} {} 112.05660 0.64776 0.10539 ++ {0.0} {} 0.0 0.0592 -1 {} 0 0 0 382 {} 6.88089 0.02257 0.03224 ++ {0.0} {} {} 7.53418 0.12083 0.17261 ++ {0.0} {} {} 112.10884 0.65297 1.73738 ++ {0.0} {} 0.0 4.1792 0 {} 0 0 0 383 {} 6.90807 0.00781 0.02114 ++ {0.0} {} {} 7.24605 0.28873 0.41247 ++ {0.0} {} {} 112.08835 1.10804 1.26004 ++ {0.0} {} 0.0 0.1412 0 {} 0 0 0 384 {} 7.15599 0.02628 0.02495 ++ {0.0} {} {} 7.15851 0.10268 0.09732 ++ {0.0} {} {} 112.01547 0.52315 0.49583 ++ {0.0} {} 0.0 0.1033 0 {} 0 0 0 385 {} 7.20839 0.01718 0.01502 ++ {0.0} {} {} 6.90650 0.15805 0.13902 ++ {0.0} {} {} 112.08168 0.98491 0.92275 ++ {0.0} {} 0.0 0.0966 0 {} 0 0 0 386 {} 6.90912 0.03761 0.05373 ++ {0.0} {} {} 6.90697 0.13670 0.23187 ++ {0.0} {} {} 112.05885 1.09676 2.49920 ++ {0.0} {} 0.0 13.8211 0 {} 0 0 0 387 {} 6.90850 0.00830 0.03721 ++ {0.0} {} {} 4.77398 0.15464 0.24227 ++ {0.0} {} {} 112.21538 1.16476 1.67784 ++ {0.0} {} 0.0 0.2758 0 {} 0 0 0 388 {} 7.53566 0.02778 0.05864 ++ {0.0} {} {} 2.35452 0.14983 0.27853 ++ {0.0} {} {} 112.05694 0.74267 1.23491 ++ {0.0} {} 0.0 0.3450 0 {} 0 0 0 389 {} 6.88086 0.03278 0.04211 ++ {0.0} {} {} 2.35694 0.15047 0.18220 ++ {0.0} {} {} 112.10896 0.68531 0.80346 ++ {0.0} {} 0.0 0.1312 0 {} 0 0 0 390 {} 7.52182 0.04787 0.06839 ++ {0.0} {} {} 10.22728 0.09407 0.00890 ++ {0.0} {} {} 111.91776 1.14399 0.15405 ++ {0.0} {} 0.0 0.0570 -1 {} 0 0 0 391 {} 7.52529 0.03650 0.07034 ++ {0.0} {} {} 8.05448 0.05339 0.16918 ++ {0.0} {} {} 111.85970 0.89205 1.28315 ++ {0.0} {} 0.0 0.2063 0 {} 0 0 0 392 {} 7.52339 0.04532 0.08465 ++ {0.0} {} {} 7.86409 0.15880 0.22686 ++ {0.0} {} {} 111.82481 0.97391 1.52367 ++ {0.0} {} 0.0 0.2676 0 {} 0 0 0 393 {} 7.82135 0.04285 0.06168 ++ {0.0} {} {} 7.52117 0.13131 0.19567 ++ {0.0} {} {} 111.81396 0.98828 1.42724 ++ {0.0} {} 0.0 0.1967 0 {} 0 0 0 394 {} 7.73888 0.05561 0.05768 ++ {0.0} {} {} 7.51583 0.12502 0.13436 ++ {0.0} {} {} 111.91923 1.11177 1.19543 ++ {0.0} {} 0.0 0.1175 0 {} 0 0 0 395 {} 7.52396 0.04548 0.09503 ++ {0.0} {} {} 7.52452 0.13623 0.19461 ++ {0.0} {} {} 111.84550 0.98161 3.01652 ++ {0.0} {} 0.0 25.8442 0 {} 0 0 0 396 {} 7.30682 0.08275 0.11822 ++ {0.0} {} {} 7.52157 0.12572 0.19060 ++ {0.0} {} {} 111.78088 0.92099 1.19607 ++ {0.0} {} 0.0 0.1856 0 {} 0 0 0 397 {} 7.22084 0.04612 0.07523 ++ {0.0} {} {} 7.52229 0.12130 0.20032 ++ {0.0} {} {} 111.79550 0.94603 1.41269 ++ {0.0} {} 0.0 0.2442 0 {} 0 0 0 398 {} 7.03960 0.05792 0.02108 ++ {0.0} {} {} 7.51945 0.10122 0.02507 ++ {0.0} {} {} 111.70192 0.63209 0.15654 ++ {0.0} {} 0.0 0.0620 0 {} 0 0 0 399 {} 6.90907 0.02774 0.05373 ++ {0.0} {} {} 7.52344 0.13728 0.19612 ++ {0.0} {} {} 111.87319 0.52094 1.51282 ++ {0.0} {} 0.0 3.5687 0 {} 0 0 0 400 {} 6.84082 0.00965 0.04885 ++ {0.0} {} {} 7.52411 0.14342 0.20488 ++ {0.0} {} {} 111.75744 0.98593 2.03001 ++ {0.0} {} 0.0 4.7165 0 {} 0 0 0 401 {} 7.52433 0.03156 0.07324 ++ {0.0} {} {} 7.17965 0.14436 0.20623 ++ {0.0} {} {} 111.83209 0.95523 1.62388 ++ {0.0} {} 0.0 0.3345 0 {} 0 0 0 402 {} 6.84056 0.03761 0.05373 ++ {0.0} {} {} 7.17321 0.15880 0.22686 ++ {0.0} {} {} 111.78239 1.02921 1.28800 ++ {0.0} {} 0.0 0.1876 0 {} 0 0 0 403 {} 7.52390 0.03378 0.07523 ++ {0.0} {} {} 6.85996 0.12756 0.18222 ++ {0.0} {} {} 111.82507 0.94200 2.39087 ++ {0.0} {} 0.0 7.8862 0 {} 0 0 0 404 {} 7.10847 0.02438 0.03138 ++ {0.0} {} {} 6.81669 0.11694 0.15006 ++ {0.0} {} {} 111.86247 0.55583 0.80191 ++ {0.0} {} 0.0 0.1516 0 {} 0 0 0 405 {} 6.84138 0.03761 0.05373 ++ {0.0} {} {} 6.83850 0.13767 0.23490 ++ {0.0} {} {} 111.78568 1.36570 2.54249 ++ {0.0} {} 0.0 14.8482 0 {} 0 0 0 406 {} 6.51172 0.03761 0.05373 ++ {0.0} {} {} 6.81759 0.10967 0.19511 ++ {0.0} {} {} 111.80371 0.92317 1.38697 ++ {0.0} {} 0.0 0.2412 0 {} 0 0 0 407 {} 7.03748 0.02290 0.00917 ++ {0.0} {} {} 6.79826 0.09383 0.03580 ++ {0.0} {} {} 111.87167 0.67253 0.80978 ++ {0.0} {} 0.0 0.0672 0 {} 0 0 0 408 {} 7.52367 0.03492 0.08131 ++ {0.0} {} {} 4.77384 0.15532 0.24879 ++ {0.0} {} {} 111.86324 0.89757 2.09006 ++ {0.0} {} 0.0 0.6897 0 {} 0 0 0 409 {} 6.84061 0.01509 0.04885 ++ {0.0} {} {} 4.77236 0.15140 0.20734 ++ {0.0} {} {} 111.74627 1.15843 1.56351 ++ {0.0} {} 0.0 0.1855 0 {} 0 0 0 410 {} 6.81148 0.02299 0.02105 ++ {0.0} {} {} 2.08406 0.25234 0.23984 ++ {0.0} {} {} 111.75213 0.71821 0.67439 ++ {0.0} {} 0.0 0.1025 0 {} 0 0 0 411 {} 7.08478 0.01777 0.01085 ++ {0.0} {} {} 10.23187 0.10214 0.06233 ++ {0.0} {} {} 111.43555 0.84831 0.51454 ++ {0.0} {} 0.0 0.0782 -1 {} 0 0 0 412 {} 6.88197 0.03561 0.02024 ++ {0.0} {} {} 10.23197 0.10025 0.05572 ++ {0.0} {} {} 111.50720 0.37584 0.50078 ++ {0.0} {} 0.0 0.0753 -1 {} 0 0 0 413 {} 6.79522 0.03084 0.01087 ++ {0.0} {} {} 10.23610 0.09481 0.03139 ++ {0.0} {} {} 111.50883 0.53783 0.17807 ++ {0.0} {} 0.0 0.0651 -1 {} 0 0 0 414 {} 6.58820 0.02390 0.00129 ++ {0.0} {} {} 10.23024 0.08791 0.00462 ++ {0.0} {} {} 111.43311 0.64764 0.03402 ++ {0.0} {} 0.0 0.0558 -1 {} 0 0 0 415 {} 7.86236 0.02101 0.02435 ++ {0.0} {} {} 7.56242 0.10319 0.11327 ++ {0.0} {} {} 111.49310 0.73330 0.80340 ++ {0.0} {} 0.0 0.1205 0 {} 0 0 0 416 {} 7.56506 0.02699 0.07523 ++ {0.0} {} {} 7.56695 0.10033 0.28000 ++ {0.0} {} {} 111.49676 0.71175 2.25972 ++ {0.0} {} 0.0 17.2458 0 {} 0 0 0 417 {} 7.26795 0.01876 0.05373 ++ {0.0} {} {} 7.54346 0.10211 0.14981 ++ {0.0} {} {} 111.52334 0.63752 0.98379 ++ {0.0} {} 0.0 0.2040 0 {} 0 0 0 418 {} 6.79360 0.03304 0.07523 ++ {0.0} {} {} 7.54631 0.11191 0.15987 ++ {0.0} {} {} 111.45605 0.74288 2.50594 ++ {0.0} {} 0.0 9.4693 0 {} 0 0 0 419 {} 6.55155 0.03761 0.05373 ++ {0.0} {} {} 7.53204 0.10456 0.05915 ++ {0.0} {} {} 111.51803 0.71044 0.39889 ++ {0.0} {} 0.0 0.0758 0 {} 0 0 0 420 {} 6.49561 0.01078 0.01723 ++ {0.0} {} {} 7.53567 0.10230 0.07549 ++ {0.0} {} {} 111.44827 0.58454 0.43136 ++ {0.0} {} 0.0 0.0861 0 {} 0 0 0 421 {} 6.59275 0.01852 0.25489 ++ {0.0} {} {} 6.86363 0.09446 0.22686 ++ {0.0} {} {} 111.46802 0.61441 2.00261 ++ {0.0} {} 0.0 4.7150 0 {} 0 0 0 422 {} 7.56373 0.02679 0.07523 ++ {0.0} {} {} 6.79293 0.09860 0.28085 ++ {0.0} {} {} 111.48708 0.66031 1.97249 ++ {0.0} {} 0.0 6.7698 0 {} 0 0 0 423 {} 6.79450 0.03156 0.24846 ++ {0.0} {} {} 6.79059 0.10025 0.27917 ++ {0.0} {} {} 111.45839 0.79549 3.16174 ++ {0.0} {} 0.0 26.9985 0 {} 0 0 0 424 {} 6.86676 0.02028 0.13139 ++ {0.0} {} {} 6.59395 0.09824 0.28764 ++ {0.0} {} {} 111.46440 0.60550 1.33025 ++ {0.0} {} 0.0 3.6490 0 {} 0 0 0 425 {} 6.59285 0.01761 0.04825 ++ {0.0} {} {} 6.59279 0.09491 0.28698 ++ {0.0} {} {} 111.46024 0.61101 1.34116 ++ {0.0} {} 0.0 11.3008 0 {} 0 0 0 426 {} 6.44629 0.01863 0.01196 ++ {0.0} {} {} 6.58729 0.10039 0.02813 ++ {0.0} {} {} 111.44745 0.50626 0.14185 ++ {0.0} {} 0.0 0.0632 0 {} 0 0 0 427 {} 6.29502 0.02387 0.02189 ++ {0.0} {} {} 6.59238 0.08559 0.08192 ++ {0.0} {} {} 111.44764 0.55095 0.52735 ++ {0.0} {} 0.0 0.1042 0 {} 0 0 0 428 {} 6.79217 0.02818 0.05542 ++ {0.0} {} {} 4.77319 0.15253 0.25673 ++ {0.0} {} {} 111.45435 0.86067 1.85729 ++ {0.0} {} 0.0 0.4082 0 {} 0 0 0 429 {} 6.59085 0.02224 0.00527 ++ {0.0} {} {} 4.77776 0.14459 0.03431 ++ {0.0} {} {} 111.43417 0.62094 0.14737 ++ {0.0} {} 0.0 0.0617 0 {} 0 0 0 430 {} 7.56419 0.02161 0.03762 ++ {0.0} {} {} 2.39806 0.07775 0.24437 ++ {0.0} {} {} 111.49229 0.73638 1.12691 ++ {0.0} {} 0.0 0.2290 0 {} 0 0 0 431 {} 6.86727 0.02102 0.02534 ++ {0.0} {} {} 2.17080 0.15065 0.18719 ++ {0.0} {} {} 111.46655 0.67379 0.77016 ++ {0.0} {} 0.0 0.1263 0 {} 0 0 0 432 {} 6.59307 0.01761 0.01008 ++ {0.0} {} {} 2.16741 0.16105 0.09021 ++ {0.0} {} {} 111.44513 0.59008 0.33756 ++ {0.0} {} 0.0 0.0761 0 {} 0 0 0 433 {} 7.56454 0.02018 0.00974 ++ {0.0} {} {} 2.08764 0.13958 0.19939 ++ {0.0} {} {} 111.49219 0.67229 0.32117 ++ {0.0} {} 0.0 0.0716 0 {} 0 0 0 434 {} 7.37166 0.02291 0.02852 ++ {0.0} {} {} 7.72377 0.05883 0.20623 ++ {0.0} {} {} 110.90217 0.59038 0.77993 ++ {0.0} {} 0.0 0.1475 0 {} 0 0 0 435 {} 7.37202 0.02308 0.06128 ++ {0.0} {} {} 7.37511 0.13972 0.25669 ++ {0.0} {} {} 110.90729 0.66028 1.72281 ++ {0.0} {} 0.0 12.2680 0 {} 0 0 0 436 {} 7.07632 0.02198 0.02024 ++ {0.0} {} {} 7.37624 0.14948 0.13874 ++ {0.0} {} {} 110.85495 0.76525 0.72643 ++ {0.0} {} 0.0 0.1014 0 {} 0 0 0 437 {} 6.67231 0.01576 0.04207 ++ {0.0} {} {} 7.37495 0.14015 0.25542 ++ {0.0} {} {} 110.91820 0.49255 1.19460 ++ {0.0} {} 0.0 4.5381 0 {} 0 0 0 438 {} 7.37170 0.02267 0.03101 ++ {0.0} {} {} 7.04168 0.14805 0.21150 ++ {0.0} {} {} 110.90820 0.56619 0.85376 ++ {0.0} {} 0.0 0.1800 0 {} 0 0 0 439 {} 7.37195 0.02294 0.05743 ++ {0.0} {} {} 6.67663 0.10403 0.27788 ++ {0.0} {} {} 110.91577 0.52203 1.32788 ++ {0.0} {} 0.0 4.8286 0 {} 0 0 0 440 {} 6.96983 0.01802 0.01081 ++ {0.0} {} {} 6.66804 0.08007 0.04804 ++ {0.0} {} {} 110.90549 0.50132 0.30076 ++ {0.0} {} 0.0 0.0776 0 {} 0 0 0 441 {} 6.67250 0.01566 0.04261 ++ {0.0} {} {} 6.67614 0.10248 0.27599 ++ {0.0} {} {} 110.91314 0.64059 1.76254 ++ {0.0} {} 0.0 10.6176 0 {} 0 0 0 442 {} 6.37598 0.02409 0.02482 ++ {0.0} {} {} 6.67879 0.10595 0.10930 ++ {0.0} {} {} 110.91093 0.58702 0.60558 ++ {0.0} {} 0.0 0.1122 0 {} 0 0 0 443 {} 7.37086 0.02374 0.02339 ++ {0.0} {} {} 4.77347 0.15215 0.15065 ++ {0.0} {} {} 110.90618 0.65515 0.64804 ++ {0.0} {} 0.0 0.1075 0 {} 0 0 0 444 {} 6.67103 0.01623 0.01086 ++ {0.0} {} {} 4.77312 0.15010 0.10148 ++ {0.0} {} {} 110.89005 0.64907 0.43411 ++ {0.0} {} 0.0 0.0817 0 {} 0 0 0 445 {} 7.37265 0.02253 0.01777 ++ {0.0} {} {} 2.31180 0.15469 0.22099 ++ {0.0} {} {} 110.88982 0.63501 0.50066 ++ {0.0} {} 0.0 0.0897 0 {} 0 0 0 446 {} 8.48416 0.03239 0.04809 ++ {0.0} {} {} 8.48434 0.13842 0.20225 ++ {0.0} {} {} 110.44907 0.43144 0.62865 ++ {0.0} {} 0.0 0.2002 0 {} 0 0 0 447 {} 7.44486 0.01557 0.01759 ++ {0.0} {} {} 7.79412 0.06655 0.20623 ++ {0.0} {} {} 110.57419 0.67181 0.75739 ++ {0.0} {} 0.0 0.1248 0 {} 0 0 0 448 {} 7.74184 0.02314 0.02074 ++ {0.0} {} {} 7.45143 0.13735 0.12453 ++ {0.0} {} {} 110.53305 0.89094 0.79101 ++ {0.0} {} 0.0 0.0989 0 {} 0 0 0 449 {} 7.44549 0.01835 0.07523 ++ {0.0} {} {} 7.44761 0.13941 0.25139 ++ {0.0} {} {} 110.56379 0.71273 2.44932 ++ {0.0} {} 0.0 9.0755 0 {} 0 0 0 450 {} 7.14813 0.02575 0.02539 ++ {0.0} {} {} 7.44147 0.11159 0.11001 ++ {0.0} {} {} 110.56257 0.70152 0.69198 ++ {0.0} {} 0.0 0.1072 0 {} 0 0 0 451 {} 7.44512 0.01880 0.02617 ++ {0.0} {} {} 7.11414 0.19961 0.22908 ++ {0.0} {} {} 110.56078 0.69503 0.86273 ++ {0.0} {} 0.0 0.1478 0 {} 0 0 0 452 {} 7.44528 0.01817 0.07523 ++ {0.0} {} {} 6.78951 0.10271 0.27665 ++ {0.0} {} {} 110.58052 0.64274 1.15209 ++ {0.0} {} 0.0 3.7977 0 {} 0 0 0 453 {} 7.44427 0.01514 0.00243 ++ {0.0} {} {} 6.43135 0.06135 0.02163 ++ {0.0} {} {} 110.57889 0.57072 0.09146 ++ {0.0} {} 0.0 0.0591 0 {} 0 0 0 454 {} 7.44545 0.01826 0.02439 ++ {0.0} {} {} 4.39017 0.11300 0.14183 ++ {0.0} {} {} 110.56514 0.70507 0.87464 ++ {0.0} {} 0.0 0.1459 0 {} 0 0 0 455 {} 6.79165 0.01912 0.01042 ++ {0.0} {} {} 4.38882 0.12195 0.06646 ++ {0.0} {} {} 110.56880 0.60859 0.33692 ++ {0.0} {} 0.0 0.0747 0 {} 0 0 0 456 {} 7.44544 0.01827 0.03103 ++ {0.0} {} {} 4.03699 0.10660 0.15343 ++ {0.0} {} {} 110.57000 0.69525 0.97584 ++ {0.0} {} 0.0 0.1900 0 {} 0 0 0 457 {} 6.79229 0.01867 0.02653 ++ {0.0} {} {} 4.03650 0.10788 0.14149 ++ {0.0} {} {} 110.57145 0.69957 0.90412 ++ {0.0} {} 0.0 0.1579 0 {} 0 0 0 458 {} 7.44550 0.02511 0.05961 ++ {0.0} {} {} 2.33864 0.11179 0.26278 ++ {0.0} {} {} 110.56409 0.70700 1.32500 ++ {0.0} {} 0.0 0.5807 0 {} 0 0 0 459 {} 6.79276 0.01971 0.03913 ++ {0.0} {} {} 2.33928 0.12539 0.25365 ++ {0.0} {} {} 110.59232 0.63173 1.16470 ++ {0.0} {} 0.0 0.2941 0 {} 0 0 0 460 {} 7.49308 0.01712 0.01782 ++ {0.0} {} {} 7.85495 0.06259 0.14340 ++ {0.0} {} {} 110.16386 0.49546 0.51592 ++ {0.0} {} 0.0 0.1134 0 {} 0 0 0 461 {} 6.73975 0.01870 0.00872 ++ {0.0} {} {} 7.85692 0.06742 0.06914 ++ {0.0} {} {} 110.18730 0.50969 0.23759 ++ {0.0} {} 0.0 0.0709 0 {} 0 0 0 462 {} 7.78979 0.01946 0.01387 ++ {0.0} {} {} 7.49469 0.09764 0.06958 ++ {0.0} {} {} 110.16015 0.50237 0.35799 ++ {0.0} {} 0.0 0.0844 0 {} 0 0 0 463 {} 7.49284 0.01714 0.05373 ++ {0.0} {} {} 7.49477 0.09935 0.28488 ++ {0.0} {} {} 110.16341 0.48606 1.27855 ++ {0.0} {} 0.0 7.5973 0 {} 0 0 0 464 {} 6.74015 0.01744 0.08032 ++ {0.0} {} {} 7.49645 0.10011 0.28156 ++ {0.0} {} {} 110.17451 0.46652 1.21723 ++ {0.0} {} 0.0 4.2525 0 {} 0 0 0 465 {} 7.19730 0.02501 0.02449 ++ {0.0} {} {} 7.48579 0.09771 0.09592 ++ {0.0} {} {} 110.24805 0.83009 0.81869 ++ {0.0} {} 0.0 0.1067 0 {} 0 0 0 466 {} 7.49287 0.01775 0.02474 ++ {0.0} {} {} 7.11802 0.15880 0.22686 ++ {0.0} {} {} 110.16776 0.49895 0.64707 ++ {0.0} {} 0.0 0.1546 0 {} 0 0 0 467 {} 6.73999 0.01804 0.02712 ++ {0.0} {} {} 7.10801 0.14436 0.20623 ++ {0.0} {} {} 110.17255 0.50463 0.71465 ++ {0.0} {} 0.0 0.1751 0 {} 0 0 0 468 {} 6.49445 0.02028 0.03230 ++ {0.0} {} {} 6.81196 0.23320 0.33314 ++ {0.0} {} {} 110.19077 0.91539 1.32821 ++ {0.0} {} 0.0 0.2010 0 {} 0 0 0 469 {} 7.49291 0.01739 0.05373 ++ {0.0} {} {} 6.74422 0.10319 0.27723 ++ {0.0} {} {} 110.17483 0.48750 1.28280 ++ {0.0} {} 0.0 4.1167 0 {} 0 0 0 470 {} 7.03760 0.01747 0.01466 ++ {0.0} {} {} 6.75121 0.13299 0.11159 ++ {0.0} {} {} 110.21693 1.01665 0.86704 ++ {0.0} {} 0.0 0.0936 0 {} 0 0 0 471 {} 6.74031 0.02446 0.09672 ++ {0.0} {} {} 6.74381 0.10269 0.27820 ++ {0.0} {} {} 110.16967 0.49345 1.30723 ++ {0.0} {} 0.0 8.3575 0 {} 0 0 0 472 {} 6.44450 0.02725 0.02563 ++ {0.0} {} {} 6.73852 0.04794 0.09789 ++ {0.0} {} {} 110.18752 0.66594 0.61806 ++ {0.0} {} 0.0 0.1014 0 {} 0 0 0 473 {} 6.25020 0.04089 0.06237 ++ {0.0} {} {} 6.52103 0.10924 0.13053 ++ {0.0} {} {} 110.10010 0.42151 0.50366 ++ {0.0} {} 0.0 0.1350 0 {} 0 0 0 474 {} 6.49339 0.02319 0.03009 ++ {0.0} {} {} 6.15659 0.06725 0.21137 ++ {0.0} {} {} 110.09492 0.44007 0.57161 ++ {0.0} {} 0.0 0.1550 0 {} 0 0 0 475 {} 7.49273 0.01826 0.04195 ++ {0.0} {} {} 2.38943 0.10754 0.33799 ++ {0.0} {} {} 110.17301 0.53141 1.03456 ++ {0.0} {} 0.0 0.2777 0 {} 0 0 0 476 {} 6.73988 0.01756 0.02340 ++ {0.0} {} {} 2.37620 0.13284 0.39601 ++ {0.0} {} {} 110.17199 0.45395 0.58343 ++ {0.0} {} 0.0 0.1521 0 {} 0 0 0 477 {} 7.49232 0.01647 0.00268 ++ {0.0} {} {} 1.90090 0.08101 0.02884 ++ {0.0} {} {} 110.16638 0.45117 0.07347 ++ {0.0} {} 0.0 0.0592 0 {} 0 0 0 478 {} 6.73954 0.01656 0.00737 ++ {0.0} {} {} 1.89989 0.15635 0.06937 ++ {0.0} {} {} 110.17916 0.46988 0.20899 ++ {0.0} {} 0.0 0.0699 0 {} 0 0 0 479 {} 6.49357 0.02290 0.02731 ++ {0.0} {} {} 1.89012 0.14848 0.17888 ++ {0.0} {} {} 110.09845 0.42350 0.50345 ++ {0.0} {} 0.0 0.1340 0 {} 0 0 0 480 {} 6.54841 0.03367 0.09672 ++ {0.0} {} {} 6.53299 0.10947 0.29436 ++ {0.0} {} {} 110.08374 0.38353 0.94837 ++ {0.0} {} 0.0 7.2144 0 {} 0 0 0 481 {} 6.49410 0.02415 0.07523 ++ {0.0} {} {} 6.50723 0.12200 0.27851 ++ {0.0} {} {} 110.08656 0.73206 1.59407 ++ {0.0} {} 0.0 11.6486 0 {} 0 0 0 482 {} 6.19874 0.03011 0.03663 ++ {0.0} {} {} 6.51138 0.11490 0.14164 ++ {0.0} {} {} 110.08266 0.49706 0.61272 ++ {0.0} {} 0.0 0.1417 0 {} 0 0 0 483 {} 6.54677 0.02673 0.02053 ++ {0.0} {} {} 6.17824 0.08893 0.12704 ++ {0.0} {} {} 110.08302 0.39838 0.31611 ++ {0.0} {} 0.0 0.0901 0 {} 0 0 0 484 {} 6.54770 0.02599 0.03825 ++ {0.0} {} {} 1.89326 0.13343 0.19920 ++ {0.0} {} {} 110.07784 0.39995 0.56566 ++ {0.0} {} 0.0 0.1856 0 {} 0 0 0 485 {} 8.18341 0.02937 0.02482 ++ {0.0} {} {} 8.55123 0.12253 0.09748 ++ {0.0} {} {} 108.76324 0.49313 0.39232 ++ {0.0} {} 0.0 0.0902 0 {} 0 0 0 486 {} 8.18366 0.02838 0.09651 ++ {0.0} {} {} 8.18627 0.10335 0.28166 ++ {0.0} {} {} 108.75909 0.49555 1.21543 ++ {0.0} {} 0.0 4.6739 0 {} 0 0 0 487 {} 8.18349 0.02889 0.05327 ++ {0.0} {} {} 4.77376 0.15889 0.24979 ++ {0.0} {} {} 108.75751 0.54825 1.13933 ++ {0.0} {} 0.0 0.4634 0 {} 0 0 0 488 {} 8.18362 0.02881 0.05023 ++ {0.0} {} {} 4.16127 0.14165 0.22686 ++ {0.0} {} {} 108.75875 0.51097 1.02113 ++ {0.0} {} 0.0 0.3794 0 {} 0 0 0 489 {} 8.18309 0.03014 0.06226 ++ {0.0} {} {} 3.92402 0.12485 0.17836 ++ {0.0} {} {} 108.75819 0.48510 1.07080 ++ {0.0} {} 0.0 0.6764 0 {} 0 0 0 490 {} 8.18366 0.02741 0.02776 ++ {0.0} {} {} 1.92413 0.28873 0.41247 ++ {0.0} {} {} 108.75681 0.50471 0.51271 ++ {0.0} {} 0.0 0.1104 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN 3 . 3002.602 Hz . . . 4.782 . . 30869 7 2 . . C 13 CO 3 . 3770.100 Hz . . . 174.062 . . 30869 7 3 . . N 15 N . . 1800.000 Hz . . . 120.150 . . 30869 7 stop_ save_ save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 30869 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCACB' _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 'HNCACB used to assign side chain peaks. CB peaks have intensities <0' _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; NOESYTYPE 1 13C-NOESY AXISORDER 4 HhC 3.195 3.197 43.122 95834100.00 R14HD2 X R14CD 4.112 4.110 57.926 50992200.00 Q17HA X Q17CA 1.990 1.987 29.376 45189900.00 R15HB2 X R15CB 2.104 2.099 29.317 42447000.00 R15HB2 X R15CB 2.474 2.457 34.101 29729600.00 Q7HG2 X Q7CG 6.555 6.558 116.828 29635400.00 Y9HE1 X Y9CE1 4.137 4.133 59.376 27633600.00 R35HA X R35CA 2.549 2.528 33.862 24063200.00 Q28HG2 X Q28CG 4.058 4.056 59.140 21053800.00 Q28HA X Q28CA 1.900 1.919 29.149 19917000.00 Q13HB3 X Q13CB 4.177 4.174 58.722 17724700.00 Q7HA X Q7CA 2.403 2.394 36.191 11207400.00 E24HG2 X E24CG 6.844 6.846 132.004 10303700.00 Y37HD1 X Y37CD1 4.242 4.240 60.056 9899300.00 R32HA X R32CA 4.025 3.994 50.844 9794700.00 P23HD2 X P23CD 6.622 6.614 131.799 8977700.00 Y9HD1 X Y9CD1 4.306 4.306 55.831 7473600.00 Q3HA X Q3CA 4.929 4.926 55.442 7471700.00 S22HA X S22CA 4.605 4.602 59.330 5962300.00 Y37HA X Y37CA 4.836 4.415 55.603 3403600.00 S22HA X S22CA 4.137 1.981 59.373 2634900.00 R35HA X R35CA 6.562 6.838 116.812 1827900.00 Y9HE1 X Y9CE1 4.763 4.095 59.288 1737500.00 Y37HA X Y37CA 4.059 1.981 59.126 1735800.00 Q28HA X Q28CA 4.928 4.026 55.438 1299700.00 S22HA X S22CA 4.161 2.203 58.578 1291100.00 Q36HA X Q36CA 4.137 2.299 59.347 1245100.00 R35HA X R35CA 1.621 3.223 27.430 1159800.00 R27HG2 X R27CG 4.215 2.147 56.629 1102800.00 Q41HA X Q41CA 6.844 6.570 132.011 1099500.00 Y37HD1 X Y37CD1 4.041 2.333 59.598 1094600.00 R15HA X R15CA 2.103 4.129 29.421 938500.00 R15HB2 X R15CB 1.672 3.215 27.071 858000.00 R14HG2 X R14CG 4.361 4.381 65.270 758700.00 P5HA X P5CA 4.025 2.117 50.841 748100.00 P23HD2 X P23CD 4.026 4.886 50.839 742400.00 P23HD2 X P23CD 4.413 2.248 55.994 707100.00 R43HA X R43CA 3.174 1.878 43.341 667400.00 R27HD2 X R27CD 4.241 3.109 60.058 638500.00 R32HA X R32CA 4.137 8.154 59.348 631800.00 R35HA X R35CA 4.410 1.968 55.912 628600.00 R43HA X R43CA 4.110 8.096 58.145 618400.00 E39HA X E39CA 3.839 4.167 58.639 585600.00 K38HA X K38CA 6.546 4.037 116.821 561500.00 Y9HE1 X Y9CE1 4.041 2.934 59.604 552700.00 R15HA X R15CA 4.097 7.872 58.649 551200.00 Q36HA X Q36CA 4.184 3.131 60.083 546100.00 R32HA X R32CA 4.041 6.558 59.595 545100.00 R15HA X R15CA 4.214 7.999 56.574 544600.00 Q41HA X Q41CA 2.437 4.132 33.844 538100.00 Q8HG2 X Q8CG 6.844 2.925 132.009 529200.00 Y37HD1 X Y37CD1 6.560 2.139 116.829 523100.00 Y9HE1 X Y9CE1 4.484 2.085 55.654 520500.00 Q3HA X Q3CA 2.101 8.109 29.476 503200.00 R32HB2 X R32CB 4.242 2.113 60.063 501400.00 R32HA X R32CA 4.216 2.455 56.616 491100.00 Q41HA X Q41CA 4.051 8.021 59.210 475100.00 Q28HA X Q28CA 4.606 6.621 59.330 462800.00 Y37HA X Y37CA 1.629 4.101 27.868 438900.00 R11HG2 X R11CG 6.622 2.788 131.770 433100.00 Y9HD1 X Y9CD1 2.366 7.477 34.319 432700.00 Q36HG2 X Q36CG 4.159 1.629 59.785 419400.00 E24HA X E24CA 4.069 8.277 59.082 412000.00 Q8HA X Q8CA 4.182 8.428 58.790 394800.00 Q7HA X Q7CA 3.244 4.115 43.152 394100.00 R14HD2 X R14CD 1.898 3.201 29.873 390100.00 R25HB2 X R25CB 2.368 3.760 34.323 375700.00 Q36HG2 X Q36CG 4.159 7.879 59.813 363500.00 E24HA X E24CA 1.674 4.060 27.037 362600.00 R14HG2 X R14CG 2.360 4.042 34.322 362100.00 Q36HG2 X Q36CG 2.431 7.531 33.908 361400.00 Q3HG2 X Q3CG 2.277 4.123 36.157 357100.00 E24HG2 X E24CG 4.041 8.532 59.602 327200.00 R15HA X R15CA 1.857 4.792 29.564 327100.00 R14HB2 X R14CB 2.549 4.181 33.863 325700.00 Q28HG2 X Q28CG 4.179 8.312 60.081 298300.00 R32HA X R32CA 4.243 8.117 60.060 295300.00 R32HA X R32CA 6.623 4.601 131.804 293300.00 Y9HD1 X Y9CD1 2.483 7.532 33.946 282100.00 Q28HG2 X Q28CG 4.605 8.096 59.338 279400.00 Y37HA X Y37CA 4.606 3.589 59.331 278100.00 Y37HA X Y37CA 6.844 4.681 132.018 277400.00 Y37HD1 X Y37CD1 2.364 8.801 34.326 272700.00 Q36HG2 X Q36CG 1.896 3.761 29.050 260100.00 K38HD2 X K38CD 4.138 8.772 59.416 246000.00 R35HA X R35CA 2.423 3.825 33.906 245000.00 Q3HG2 X Q3CG 6.622 3.205 131.762 243000.00 Y9HD1 X Y9CD1 1.897 8.367 29.065 242800.00 K38HD2 X K38CD 1.969 3.753 29.129 240100.00 Q13HB3 X Q13CB 1.664 1.285 27.663 239400.00 R15HG2 X R15CG 4.025 2.803 50.846 239300.00 P23HD2 X P23CD 4.137 3.252 59.385 233800.00 R35HA X R35CA 4.059 3.224 59.123 230100.00 Q28HA X Q28CA 1.934 4.112 33.879 217700.00 Q13HG3 X Q13CG 6.542 3.204 116.814 215500.00 Y9HE1 X Y9CE1 4.606 3.141 59.346 211900.00 Y37HA X Y37CA 6.844 2.122 132.024 209100.00 Y37HD1 X Y37CD1 4.049 0.872 59.214 207300.00 Q28HA X Q28CA 2.431 8.068 33.969 204900.00 Q3HG2 X Q3CG 4.049 7.549 59.210 201500.00 Q28HA X Q28CA 4.597 4.212 57.202 197100.00 C33HA X C33CA 4.050 1.287 59.214 194300.00 Q28HA X Q28CA 4.766 1.964 59.299 190600.00 Y37HA X Y37CA 4.483 2.601 55.650 189300.00 Q3HA X Q3CA 2.076 4.114 33.907 170400.00 Q13HG2 X Q13CG 6.542 3.464 116.811 163600.00 Y9HE1 X Y9CE1 4.414 7.464 55.995 163200.00 R43HA X R43CA 2.181 4.136 34.565 158400.00 E20HG2 X E20CG 6.551 4.784 116.809 154200.00 Y9HE1 X Y9CE1 6.551 2.908 116.789 150700.00 Y9HE1 X Y9CE1 4.163 3.581 60.134 150100.00 R32HA X R32CA 2.431 6.810 33.920 138200.00 Q3HG2 X Q3CG 4.951 1.899 55.623 134800.00 S22HA X S22CA 4.949 8.299 55.458 133800.00 S22HA X S22CA 2.477 8.308 34.193 131400.00 Q7HG2 X Q7CG 6.622 4.034 131.766 130200.00 Y9HD1 X Y9CD1 2.429 8.608 33.934 129600.00 Q3HG2 X Q3CG 1.862 7.634 29.583 128400.00 R14HB2 X R14CB 6.844 2.444 132.027 126200.00 Y37HD1 X Y37CD1 4.138 7.497 59.392 125800.00 R35HA X R35CA 2.420 3.250 33.884 124900.00 Q3HG2 X Q3CG 4.242 7.879 60.043 124800.00 R32HA X R32CA 4.944 7.471 52.761 123700.00 D4HA X D4CA 2.367 6.811 34.309 123100.00 Q36HG2 X Q36CG 4.944 2.380 52.837 121500.00 D4HA X D4CA 4.849 1.421 52.774 119300.00 D4HA X D4CA 2.381 8.536 36.092 119000.00 E24HG2 X E24CG 1.941 4.175 32.374 117700.00 K38HB2 X K38CB 1.673 7.908 26.932 116600.00 R43HG2 X R43CG 4.650 3.290 57.065 113400.00 C33HA X C33CA 4.927 3.625 55.475 111200.00 S22HA X S22CA 0.931 8.281 17.251 106200.00 I18HG2 X I18CG2 4.862 8.580 55.562 104700.00 S22HA X S22CA 4.041 6.848 59.588 103400.00 R15HA X R15CA 2.477 1.618 34.181 101700.00 Q7HG2 X Q7CG 4.609 3.972 59.357 95800.00 Y37HA X Y37CA 6.547 8.534 116.828 93200.00 Y9HE1 X Y9CE1 1.675 8.279 27.124 92900.00 R14HG2 X R14CG 4.851 8.142 55.523 92600.00 S22HA X S22CA 4.734 2.852 59.391 91900.00 Y37HA X Y37CA 2.580 3.064 33.914 88400.00 Q28HG2 X Q28CG 4.636 0.755 59.356 88300.00 Y37HA X Y37CA 6.622 3.477 131.723 88100.00 Y9HD1 X Y9CD1 1.632 7.501 27.961 87800.00 R11HG2 X R11CG 4.646 3.393 59.438 86800.00 Y37HA X Y37CA 4.845 3.764 54.480 85400.00 E20HA X E20CA 6.845 4.029 132.018 85000.00 Y37HD1 X Y37CD1 6.621 2.180 131.716 84800.00 Y9HD1 X Y9CD1 2.379 4.798 33.868 84800.00 Q3HG2 X Q3CG 6.622 8.109 131.817 84000.00 Y9HD1 X Y9CD1 4.722 3.654 54.588 82800.00 E20HA X E20CA 4.214 3.539 58.884 82700.00 Q7HA X Q7CA 2.371 3.045 34.304 82300.00 Q36HG2 X Q36CG 4.025 8.516 50.852 82100.00 P23HD2 X P23CD 1.896 6.569 29.074 81100.00 Q13HB3 X Q13CB 1.678 2.379 27.124 75900.00 R14HG2 X R14CG 2.431 1.632 33.932 75100.00 Q3HG2 X Q3CG 2.379 1.556 36.084 75000.00 E24HG2 X E24CG 4.844 7.912 54.556 73500.00 E20HA X E20CA 4.484 8.617 55.660 71500.00 Q3HA X Q3CA 4.350 2.231 60.342 69300.00 C29HA X C29CA 4.124 4.865 56.653 67800.00 Q41HA X Q41CA 4.509 8.498 55.909 66600.00 R43HA X R43CA 2.381 6.553 36.084 65700.00 E24HG2 X E24CG 2.482 0.921 34.173 63600.00 Q7HG2 X Q7CG 6.845 8.112 131.944 62900.00 Y37HD1 X Y37CD1 4.241 8.625 60.086 61800.00 R32HA X R32CA 4.414 6.804 55.940 61800.00 R43HA X R43CA 4.934 3.081 55.436 61000.00 S22HA X S22CA 1.648 0.863 27.621 60600.00 R15HG2 X R15CG 2.125 7.887 33.789 60500.00 Q41HG2 X Q41CG 3.210 8.002 43.127 59400.00 R14HD2 X R14CD 2.378 2.886 36.103 59400.00 E24HG2 X E24CG 4.943 6.775 55.456 59200.00 S22HA X S22CA 2.397 0.931 34.181 54800.00 Q17HG2 X Q17CG 6.846 7.822 131.943 54600.00 Y37HD1 X Y37CD1 4.605 2.049 59.335 53300.00 Y37HA X Y37CA 2.477 3.226 34.110 52400.00 Q7HG2 X Q7CG 0.932 3.203 17.261 50300.00 I18HG2 X I18CG2 4.131 4.804 59.455 49800.00 R35HA X R35CA 4.031 1.644 50.911 49200.00 P23HD2 X P23CD 6.621 1.921 131.692 47300.00 Y9HD1 X Y9CD1 3.246 6.850 43.145 43400.00 R14HD2 X R14CD 0.943 8.658 17.308 43300.00 I18HG2 X I18CG2 2.750 4.274 41.395 41600.00 D4HB2 X D4CB 3.966 4.873 58.630 41300.00 K38HA X K38CA 4.218 3.206 56.580 41200.00 Q41HA X Q41CA 1.865 8.802 29.631 40700.00 R14HB2 X R14CB 2.296 3.769 36.071 39100.00 E24HG2 X E24CG 4.500 3.474 65.340 38700.00 P5HA X P5CA 1.852 4.439 29.594 38300.00 R14HB2 X R14CB 4.596 8.595 59.415 36900.00 Y37HA X Y37CA 4.976 8.391 52.664 36900.00 D4HA X D4CA 4.055 4.921 58.661 34500.00 Q36HA X Q36CA 4.198 4.818 58.329 34500.00 E39HA X E39CA 6.558 8.089 116.833 34100.00 Y9HE1 X Y9CE1 4.357 3.207 55.814 34100.00 Q3HA X Q3CA 2.099 6.858 29.382 33200.00 R15HB2 X R15CB 4.341 7.951 65.371 30600.00 P5HA X P5CA 1.797 7.997 29.125 30500.00 Q13HB3 X Q13CB 4.213 6.785 56.641 30200.00 Q41HA X Q41CA 4.484 8.860 57.184 29400.00 C16HA X C16CA 1.609 4.785 26.939 28400.00 R43HG2 X R43CG 2.379 3.163 36.120 28300.00 E24HG2 X E24CG 4.248 1.629 60.178 28100.00 R32HA X R32CA 4.243 3.030 57.047 28000.00 Q40HA X Q40CA 5.013 6.684 52.705 27700.00 D4HA X D4CA 6.622 7.832 131.849 27200.00 Y9HD1 X Y9CD1 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN 3 . 3002.602 Hz . . . 4.782 . . 30869 8 2 . . C 13 C-aliphatic . . 9649.479 Hz . . . 45.068 . . 30869 8 3 . . N 15 N 1 . 1800.000 Hz . . . 120.150 . . 30869 8 stop_ save_ save_spectral_peak_list_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_9 _Spectral_peak_list.Entry_ID 30869 _Spectral_peak_list.ID 9 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _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 CBCA(CO)NH _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; label dataset sw sf 1H C13 Chsqc_2.nv 11160.7138672 14080.4697266 799.963989258 201.156997681 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 flag8 flag9 0 {} 4.25607 0.03189 0.05014 ++ {0.0} {} {} 65.67886 0.50464 0.78965 ++ {0.0} {} 0.0 0.7425 0 {} 0 0 0 1 {} 4.39717 0.03115 0.04773 ++ {0.0} {} {} 65.26545 0.51208 0.82244 ++ {0.0} {} 0.0 0.8071 0 {} 0 0 0 2 {} 4.21581 0.03144 0.04166 ++ {0.0} {} {} 63.55551 0.63076 0.79220 ++ {0.0} {} 0.0 0.4899 0 {} 0 0 0 3 {} 3.95982 0.03974 0.05031 ++ {0.0} {} {} 63.55039 0.64642 0.80942 ++ {0.0} {} 0.0 0.4915 0 {} 0 0 0 4 {} 3.75253 0.02879 0.02883 ++ {0.0} {} {} 63.40652 0.69609 0.31323 ++ {0.0} {} 0.0 0.1821 0 {} 0 0 0 5 {} 3.71493 0.02855 0.00807 ++ {0.0} {} {} 63.43902 0.69981 0.05291 ++ {0.0} {} 0.0 0.1617 0 {} 0 0 0 6 {} 4.07611 0.03963 0.05500 ++ {0.0} {} {} 62.32394 0.66997 0.92095 ++ {0.0} {} 0.0 0.6006 0 {} 0 0 0 7 {} 4.96641 0.00823 0.00426 ++ {0.0} {} {} 61.51801 0.63660 0.96823 ++ {0.0} {} 0.0 0.2073 0 {} 0 0 0 8 {} 4.96409 0.00908 0.00575 ++ {0.0} {} {} 61.06212 1.35171 0.94515 ++ {0.0} {} 0.0 0.2121 0 {} 0 0 0 9 {} 4.97702 0.00959 0.00780 ++ {0.0} {} {} 60.96243 0.62150 1.11862 ++ {0.0} {} 0.0 -0.2402 0 {} 0 0 0 10 {} 4.97412 0.00953 0.00786 ++ {0.0} {} {} 60.52794 1.25294 1.02682 ++ {0.0} {} 0.0 -0.2433 0 {} 0 0 0 11 {} 4.21835 0.03687 0.05200 ++ {0.0} {} {} 60.34037 0.54743 0.76890 ++ {0.0} {} 0.0 0.5422 0 {} 0 0 0 12 {} 3.73314 0.03542 0.05595 ++ {0.0} {} {} 60.23779 0.73152 1.03995 ++ {0.0} {} 0.0 0.7164 0 {} 0 0 0 13 {} 4.97060 0.00971 0.00791 ++ {0.0} {} {} 60.12527 1.05264 0.86592 ++ {0.0} {} 0.0 -0.2408 0 {} 0 0 0 14 {} 4.11360 0.03571 0.08284 ++ {0.0} {} {} 59.65200 0.74439 1.51509 ++ {0.0} {} 0.0 1.5326 0 {} 0 0 0 15 {} 3.94747 0.03780 0.09367 ++ {0.0} {} {} 59.73561 0.73547 1.13053 ++ {0.0} {} 0.0 0.8716 0 {} 0 0 0 16 {} 3.81557 0.03724 0.06731 ++ {0.0} {} {} 59.69400 0.61157 0.89000 ++ {0.0} {} 0.0 0.7333 0 {} 0 0 0 17 {} 3.72258 0.03715 0.12364 ++ {0.0} {} {} 59.74483 0.67508 1.06002 ++ {0.0} {} 0.0 0.8468 0 {} 0 0 0 18 {} 4.57894 0.04113 0.04390 ++ {0.0} {} {} 59.58616 0.62078 0.66738 ++ {0.0} {} 0.0 0.3481 0 {} 0 0 0 19 {} 4.02463 0.04288 0.11240 ++ {0.0} {} {} 59.58162 0.89724 1.35347 ++ {0.0} {} 0.0 1.1863 0 {} 0 0 0 20 {} 4.66712 0.03864 0.05428 ++ {0.0} {} {} 59.12313 0.55783 0.76292 ++ {0.0} {} 0.0 0.5485 0 {} 0 0 0 21 {} 4.14958 0.06557 0.09367 ++ {0.0} {} {} 58.88740 0.75915 1.31254 ++ {0.0} {} 0.0 1.1949 0 {} 0 0 0 22 {} 3.95897 0.02885 0.04121 ++ {0.0} {} {} 58.95448 0.24405 0.77828 ++ {0.0} {} 0.0 0.6325 0 {} 0 0 0 23 {} 4.00835 0.04654 0.09367 ++ {0.0} {} {} 58.72841 0.69071 0.94566 ++ {0.0} {} 0.0 1.0025 0 {} 0 0 0 24 {} 4.96634 0.00944 0.00763 ++ {0.0} {} {} 58.66563 0.71045 0.57568 ++ {0.0} {} 0.0 0.2455 0 {} 0 0 0 25 {} 3.85122 0.02943 0.04239 ++ {0.0} {} {} 58.51860 0.54860 0.84201 ++ {0.0} {} 0.0 0.7551 0 {} 0 0 0 26 {} 4.09577 0.03400 0.05972 ++ {0.0} {} {} 58.21508 0.78175 1.11679 ++ {0.0} {} 0.0 3.1134 0 {} 0 0 0 27 {} 4.04240 0.03277 0.05224 ++ {0.0} {} {} 57.79921 0.55835 0.83680 ++ {0.0} {} 0.0 0.7526 0 {} 0 0 0 28 {} 4.96725 0.00930 0.00338 ++ {0.0} {} {} 57.66127 0.59817 0.29253 ++ {0.0} {} 0.0 -0.1818 0 {} 0 0 0 29 {} 4.54925 0.03437 0.04524 ++ {0.0} {} {} 57.05053 0.55481 0.81950 ++ {0.0} {} 0.0 0.5493 0 {} 0 0 0 30 {} 4.44906 0.03697 0.05385 ++ {0.0} {} {} 56.95984 0.64001 0.92761 ++ {0.0} {} 0.0 0.6579 0 {} 0 0 0 31 {} 4.17278 0.06054 0.19691 ++ {0.0} {} {} 56.73149 0.72232 1.26843 ++ {0.0} {} 0.0 1.4557 0 {} 0 0 0 32 {} 4.24525 0.04459 0.06369 ++ {0.0} {} {} 56.34279 0.77380 0.80575 ++ {0.0} {} 0.0 0.3345 0 {} 0 0 0 33 {} 4.28677 0.10229 0.14612 ++ {0.0} {} {} 56.14636 0.70946 0.81990 ++ {0.0} {} 0.0 0.3934 0 {} 0 0 0 34 {} 4.46495 0.03294 0.09367 ++ {0.0} {} {} 55.90739 0.62046 1.19343 ++ {0.0} {} 0.0 1.5694 0 {} 0 0 0 35 {} 4.38290 0.03825 0.13863 ++ {0.0} {} {} 55.82964 0.80575 1.20916 ++ {0.0} {} 0.0 2.4337 0 {} 0 0 0 36 {} 4.91060 0.02456 0.03863 ++ {0.0} {} {} 55.44874 0.62224 0.99452 ++ {0.0} {} 0.0 0.9141 0 {} 0 0 0 37 {} 4.96500 0.01331 0.00801 ++ {0.0} {} {} 55.32455 0.52891 0.34653 ++ {0.0} {} 0.0 0.2098 0 {} 0 0 0 38 {} 4.77533 0.03996 0.05444 ++ {0.0} {} {} 54.56866 0.58727 0.82758 ++ {0.0} {} 0.0 0.5335 0 {} 0 0 0 39 {} 4.87513 0.03615 0.05633 ++ {0.0} {} {} 52.66030 0.61265 0.94400 ++ {0.0} {} 0.0 0.7039 0 {} 0 0 0 40 {} 4.00389 0.03670 0.05474 ++ {0.0} {} {} 51.10211 0.60300 0.80340 ++ {0.0} {} 0.0 0.5599 0 {} 0 0 0 41 {} 3.93447 0.03821 0.06915 ++ {0.0} {} {} 50.99610 0.67773 1.05525 ++ {0.0} {} 0.0 0.8666 0 {} 0 0 0 42 {} 4.03925 0.03197 0.04165 ++ {0.0} {} {} 50.86565 0.57122 0.76098 ++ {0.0} {} 0.0 0.4886 0 {} 0 0 0 43 {} 3.94642 0.02757 0.06369 ++ {0.0} {} {} 45.56952 0.41250 0.75394 ++ {0.0} {} 0.0 1.1380 0 {} 0 0 0 44 {} 3.89744 0.03063 0.06303 ++ {0.0} {} {} 45.60003 0.44538 0.74511 ++ {0.0} {} 0.0 1.0420 0 {} 0 0 0 45 {} 3.53166 0.01451 0.01319 ++ {0.0} {} {} 44.34377 0.38890 0.34979 ++ {0.0} {} 0.0 0.2837 0 {} 0 0 0 46 {} 3.86870 0.02024 0.07675 ++ {0.0} {} {} 43.46490 0.44753 0.86478 ++ {0.0} {} 0.0 4.0981 0 {} 0 0 0 47 {} 3.28033 0.03410 0.04871 ++ {0.0} {} {} 43.49040 0.67914 1.24563 ++ {0.0} {} 0.0 0.8677 0 {} 0 0 0 48 {} 3.17405 0.05577 0.18064 ++ {0.0} {} {} 43.38871 0.59866 1.51845 ++ {0.0} {} 0.0 4.0003 0 {} 0 0 0 49 {} 1.60104 0.04100 0.01422 ++ {0.0} {} {} 43.46225 0.52290 0.13095 ++ {0.0} {} 0.0 0.1735 0 {} 0 0 0 50 {} 3.31736 0.03968 0.06465 ++ {0.0} {} {} 42.65977 0.61324 0.93337 ++ {0.0} {} 0.0 0.6840 0 {} 0 0 0 51 {} 2.96382 0.04792 0.06357 ++ {0.0} {} {} 42.11168 0.60375 0.65042 ++ {0.0} {} 0.0 0.3463 0 {} 0 0 0 52 {} 2.87835 0.03154 0.05699 ++ {0.0} {} {} 42.05789 0.65756 1.22273 ++ {0.0} {} 0.0 1.8942 0 {} 0 0 0 53 {} 3.02489 0.02960 0.01681 ++ {0.0} {} {} 41.86687 0.60253 0.32523 ++ {0.0} {} 0.0 0.2029 0 {} 0 0 0 54 {} 2.77940 0.06213 0.09117 ++ {0.0} {} {} 41.35918 0.62749 0.87819 ++ {0.0} {} 0.0 0.6112 0 {} 0 0 0 55 {} 1.90923 0.04985 0.05268 ++ {0.0} {} {} 39.14951 0.82749 0.87771 ++ {0.0} {} 0.0 0.3393 0 {} 0 0 0 56 {} 2.90761 0.06926 0.07410 ++ {0.0} {} {} 38.91858 0.63255 0.68147 ++ {0.0} {} 0.0 0.3508 0 {} 0 0 0 57 {} 2.79258 0.04790 0.03679 ++ {0.0} {} {} 37.83610 0.59974 0.47336 ++ {0.0} {} 0.0 0.2460 0 {} 0 0 0 58 {} 2.71881 0.06166 0.03211 ++ {0.0} {} {} 37.83345 0.63762 0.34909 ++ {0.0} {} 0.0 0.1962 0 {} 0 0 0 59 {} 3.26140 0.05518 0.01632 ++ {0.0} {} {} 37.21506 0.62824 0.34163 ++ {0.0} {} 0.0 0.2042 0 {} 0 0 0 60 {} 3.02634 0.04216 0.04035 ++ {0.0} {} {} 37.21336 0.51735 0.48866 ++ {0.0} {} 0.0 0.2952 0 {} 0 0 0 61 {} 2.20053 0.03663 0.08208 ++ {0.0} {} {} 36.74953 0.64301 1.03790 ++ {0.0} {} 0.0 2.7168 0 {} 0 0 0 62 {} 2.03061 0.02878 0.02314 ++ {0.0} {} {} 36.74537 0.52036 0.41481 ++ {0.0} {} 0.0 0.2463 0 {} 0 0 0 63 {} 3.44033 0.05728 0.01801 ++ {0.0} {} {} 36.55217 0.61124 0.30406 ++ {0.0} {} 0.0 0.1961 0 {} 0 0 0 64 {} 3.56714 0.05865 0.02811 ++ {0.0} {} {} 36.53295 0.54177 0.36984 ++ {0.0} {} 0.0 0.2277 0 {} 0 0 0 65 {} 3.19202 0.04230 0.03422 ++ {0.0} {} {} 36.53988 0.47617 0.36463 ++ {0.0} {} 0.0 0.2453 0 {} 0 0 0 66 {} 3.10097 0.04439 0.03891 ++ {0.0} {} {} 36.52615 0.53917 0.46285 ++ {0.0} {} 0.0 0.2692 0 {} 0 0 0 67 {} 2.39383 0.06199 0.08856 ++ {0.0} {} {} 36.49150 0.66423 1.07049 ++ {0.0} {} 0.0 0.8627 0 {} 0 0 0 68 {} 2.09725 0.02085 0.01384 ++ {0.0} {} {} 36.49718 0.57385 0.08384 ++ {0.0} {} 0.0 0.1666 0 {} 0 0 0 69 {} 2.45927 0.04494 0.07148 ++ {0.0} {} {} 36.33196 0.64489 0.98292 ++ {0.0} {} 0.0 0.6942 0 {} 0 0 0 70 {} 2.33817 0.07606 0.10866 ++ {0.0} {} {} 36.27060 0.68030 1.19421 ++ {0.0} {} 0.0 1.0839 0 {} 0 0 0 71 {} 2.25565 0.05078 0.09197 ++ {0.0} {} {} 36.33413 0.72771 1.43175 ++ {0.0} {} 0.0 1.7916 0 {} 0 0 0 72 {} 3.51828 0.05805 0.02946 ++ {0.0} {} {} 35.24553 0.64071 0.46244 ++ {0.0} {} 0.0 0.2282 0 {} 0 0 0 73 {} 3.08800 0.04304 0.03891 ++ {0.0} {} {} 35.23943 0.58996 0.53342 ++ {0.0} {} 0.0 0.2797 0 {} 0 0 0 74 {} 2.01265 0.06361 0.09087 ++ {0.0} {} {} 34.38260 0.34376 0.64575 ++ {0.0} {} 0.0 0.2644 0 {} 0 0 0 75 {} 2.53041 0.05445 0.09367 ++ {0.0} {} {} 34.11517 0.58484 1.05487 ++ {0.0} {} 0.0 1.4860 0 {} 0 0 0 76 {} 2.58857 0.04672 0.06674 ++ {0.0} {} {} 34.02683 0.81418 1.19992 ++ {0.0} {} 0.0 0.8488 0 {} 0 0 0 77 {} 2.35814 0.07170 0.27930 ++ {0.0} {} {} 33.96907 0.77540 1.25999 ++ {0.0} {} 0.0 5.5361 0 {} 0 0 0 78 {} 2.12241 0.04983 0.07119 ++ {0.0} {} {} 34.04444 0.78058 1.49201 ++ {0.0} {} 0.0 1.0113 0 {} 0 0 0 79 {} 2.19776 0.03338 0.13965 ++ {0.0} {} {} 33.92754 0.64763 1.15293 ++ {0.0} {} 0.0 1.3965 0 {} 0 0 0 80 {} 1.97502 0.07606 0.10866 ++ {0.0} {} {} 33.88710 0.59443 0.67778 ++ {0.0} {} 0.0 0.3674 0 {} 0 0 0 81 {} 1.88773 0.04463 0.07650 ++ {0.0} {} {} 33.91859 0.55505 0.85208 ++ {0.0} {} 0.0 0.6834 0 {} 0 0 0 82 {} 2.02156 0.05655 0.06492 ++ {0.0} {} {} 33.12378 0.53440 1.42501 ++ {0.0} {} 0.0 0.3663 0 {} 0 0 0 83 {} 2.08659 0.04977 0.07301 ++ {0.0} {} {} 33.12066 0.86130 1.23042 ++ {0.0} {} 0.0 0.4569 0 {} 0 0 0 84 {} 1.82897 0.04585 0.07095 ++ {0.0} {} {} 32.39495 0.76071 1.17080 ++ {0.0} {} 0.0 0.6752 0 {} 0 0 0 85 {} 2.09099 0.05540 0.06406 ++ {0.0} {} {} 32.24642 0.73689 1.05270 ++ {0.0} {} 0.0 0.3712 0 {} 0 0 0 86 {} 2.42448 0.05800 0.07919 ++ {0.0} {} {} 32.15251 0.56581 0.78159 ++ {0.0} {} 0.0 0.5275 0 {} 0 0 0 87 {} 1.98645 0.06102 0.06868 ++ {0.0} {} {} 32.10697 0.85447 1.01242 ++ {0.0} {} 0.0 0.3592 0 {} 0 0 0 88 {} 2.60234 0.01940 0.06402 ++ {0.0} {} {} 31.95074 0.67803 0.98257 ++ {0.0} {} 0.0 0.7117 0 {} 0 0 0 89 {} 2.56729 0.03410 0.04871 ++ {0.0} {} {} 31.97121 0.70039 0.97361 ++ {0.0} {} 0.0 0.6430 0 {} 0 0 0 90 {} 2.02829 0.05106 0.17660 ++ {0.0} {} {} 31.08451 0.82294 1.41375 ++ {0.0} {} 0.0 0.7231 0 {} 0 0 0 91 {} 1.88444 0.05395 0.12955 ++ {0.0} {} {} 31.10502 0.84911 1.48483 ++ {0.0} {} 0.0 1.0854 0 {} 0 0 0 92 {} 1.73193 0.05420 0.07482 ++ {0.0} {} {} 31.12009 0.83572 1.08037 ++ {0.0} {} 0.0 0.4817 0 {} 0 0 0 93 {} 1.60213 0.04110 0.02542 ++ {0.0} {} {} 31.08122 0.66404 0.40147 ++ {0.0} {} 0.0 0.2170 0 {} 0 0 0 94 {} 2.19980 0.02413 0.02623 ++ {0.0} {} {} 31.03644 0.52635 0.75193 ++ {0.0} {} 0.0 0.3489 0 {} 0 0 0 95 {} 2.20393 0.08130 0.11615 ++ {0.0} {} {} 30.23082 1.05270 1.50385 ++ {0.0} {} 0.0 0.4765 0 {} 0 0 0 96 {} 2.25209 0.06914 0.09878 ++ {0.0} {} {} 29.73536 0.39805 1.28945 ++ {0.0} {} 0.0 0.5234 0 {} 0 0 0 97 {} 1.96953 0.07961 0.16860 ++ {0.0} {} {} 29.74339 1.21856 1.74080 ++ {0.0} {} 0.0 1.9645 0 {} 0 0 0 98 {} 1.85108 0.02420 0.08559 ++ {0.0} {} {} 29.74524 1.05835 1.55892 ++ {0.0} {} 0.0 0.8694 0 {} 0 0 0 99 {} 3.13443 0.04441 0.06000 ++ {0.0} {} {} 29.59463 0.67533 0.91523 ++ {0.0} {} 0.0 0.5307 0 {} 0 0 0 100 {} 2.34515 0.04367 0.06489 ++ {0.0} {} {} 29.64879 0.70426 0.97856 ++ {0.0} {} 0.0 0.5557 0 {} 0 0 0 101 {} 2.08452 0.07361 0.13863 ++ {0.0} {} {} 29.61529 1.40184 2.00263 ++ {0.0} {} 0.0 1.7492 0 {} 0 0 0 102 {} 1.56716 0.04055 0.07006 ++ {0.0} {} {} 29.03407 0.73015 1.44214 ++ {0.0} {} 0.0 1.0594 0 {} 0 0 0 103 {} 2.13739 0.09485 0.25853 ++ {0.0} {} {} 28.81230 1.31203 1.87433 ++ {0.0} {} 0.0 1.6185 0 {} 0 0 0 104 {} 2.18048 0.04983 0.07119 ++ {0.0} {} {} 28.61594 0.96634 1.38049 ++ {0.0} {} 0.0 1.5527 0 {} 0 0 0 105 {} 2.33288 0.01616 0.02546 ++ {0.0} {} {} 28.46869 0.24821 0.39025 ++ {0.0} {} 0.0 0.2324 0 {} 0 0 0 106 {} 1.84773 0.02299 0.07113 ++ {0.0} {} {} 27.95450 0.75164 1.06328 ++ {0.0} {} 0.0 0.5422 0 {} 0 0 0 107 {} 2.05810 0.06534 0.13656 ++ {0.0} {} {} 27.84699 0.38700 1.16486 ++ {0.0} {} 0.0 0.6822 0 {} 0 0 0 108 {} 1.26994 0.04954 0.04834 ++ {0.0} {} {} 27.92484 0.69524 0.68179 ++ {0.0} {} 0.0 0.3088 0 {} 0 0 0 109 {} 1.77544 0.06689 0.12190 ++ {0.0} {} {} 27.55329 0.91570 1.32104 ++ {0.0} {} 0.0 0.7821 0 {} 0 0 0 110 {} 1.60516 0.07787 0.17446 ++ {0.0} {} {} 27.20097 0.41929 1.65741 ++ {0.0} {} 0.0 1.8273 0 {} 0 0 0 111 {} 1.89306 0.01374 0.01373 ++ {0.0} {} {} 25.99531 0.37420 0.37375 ++ {0.0} {} 0.0 0.3145 0 {} 0 0 0 112 {} 1.47525 0.04821 0.05496 ++ {0.0} {} {} 25.37634 0.73156 0.82436 ++ {0.0} {} 0.0 0.3794 0 {} 0 0 0 113 {} 1.32536 0.04616 0.05446 ++ {0.0} {} {} 25.37387 0.76505 0.89990 ++ {0.0} {} 0.0 0.3981 0 {} 0 0 0 114 {} 0.90527 0.03094 0.07683 ++ {0.0} {} {} 17.49244 0.65626 1.03565 ++ {0.0} {} 0.0 2.0837 0 {} 0 0 0 115 {} 2.09667 0.01337 0.02513 ++ {0.0} {} {} 17.00666 0.46063 1.00035 ++ {0.0} {} 0.0 5.2732 0 {} 0 0 0 116 {} 2.07910 0.00878 0.00964 ++ {0.0} {} {} 17.01612 0.41221 0.55212 ++ {0.0} {} 0.0 -0.5148 0 {} 0 0 0 117 {} 2.18301 0.01068 0.00782 ++ {0.0} {} {} 16.99017 0.34472 0.08823 ++ {0.0} {} 0.0 0.1803 0 {} 0 0 0 118 {} 2.09663 0.01243 0.01481 ++ {0.0} {} {} 16.45977 0.07379 0.09244 ++ {0.0} {} 0.0 -0.4215 0 {} 0 0 0 119 {} 0.82309 0.02724 0.05036 ++ {0.0} {} {} 13.13401 0.60132 1.03665 ++ {0.0} {} 0.0 2.2466 0 {} 0 0 0 120 {} 4.96038 0.00912 0.00376 ++ {0.0} {} {} 12.13252 0.61106 0.31813 ++ {0.0} {} 0.0 -0.1863 0 {} 0 0 0 121 {} 4.96310 0.00890 0.00405 ++ {0.0} {} {} 11.37564 0.66639 0.35850 ++ {0.0} {} 0.0 0.1972 0 {} 0 0 0 122 {} 4.96321 0.00878 0.00413 ++ {0.0} {} {} 10.24907 0.84855 0.53344 ++ {0.0} {} 0.0 -0.1987 0 {} 0 0 0 123 {} 4.97065 0.00915 0.00702 ++ {0.0} {} {} 9.49333 1.04371 0.77954 ++ {0.0} {} 0.0 0.2249 0 {} 0 0 0 124 {} 4.96759 0.00916 0.00639 ++ {0.0} {} {} 9.09337 1.19270 0.90692 ++ {0.0} {} 0.0 0.2249 0 {} 0 0 0 125 {} 4.97755 0.00988 0.00647 ++ {0.0} {} {} 8.45630 0.71694 1.09567 ++ {0.0} {} 0.0 -0.2070 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN 3 . 3002.602 Hz . . . 4.782 . . 30869 9 2 . . C 13 C-aliphatic . . 9649.479 Hz . . . 46.068 . . 30869 9 3 . . N 15 N 1 . 1800.000 Hz . . . 120.150 . . 30869 9 stop_ save_