data_31014 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31014 _Entry.Title ; Ana o 1 Leader Sequence Residues 82-132 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-29 _Entry.Accession_date 2022-04-29 _Entry.Last_release_date 2022-05-18 _Entry.Original_release_date 2022-05-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Mueller G. A. . . 31014 2 A. Foo A. C.Y. . . 31014 3 E. DeRose E. F. . . 31014 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ALLERGEN . 31014 'Seed storage' . 31014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31014 spectral_peak_list 9 31014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 31014 '15N chemical shifts' 53 31014 '1H chemical shifts' 242 31014 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-03-27 . original BMRB . 31014 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7UV2 'BMRB Entry Tracking System' 31014 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31014 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ana o 1 Leader Sequence Residues 82-132 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Mueller G. A. . . 31014 1 2 A. Foo A. C.Y. . . 31014 1 3 E. DeRose E. F. . . 31014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31014 _Assembly.ID 1 _Assembly.Name 'Vicilin-like protein' _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 . . . . . . 31014 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 18 18 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . . . 31014 1 2 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . . . 31014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31014 _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 ; GVDEPSTHEPAEKHLSQCMR QCERQEGGQQKQLCRFRCQE RYKKERGQHNYKREDD ; _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6807.526 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 31014 1 2 . VAL . 31014 1 3 . ASP . 31014 1 4 . GLU . 31014 1 5 . PRO . 31014 1 6 . SER . 31014 1 7 . THR . 31014 1 8 . HIS . 31014 1 9 . GLU . 31014 1 10 . PRO . 31014 1 11 . ALA . 31014 1 12 . GLU . 31014 1 13 . LYS . 31014 1 14 . HIS . 31014 1 15 . LEU . 31014 1 16 . SER . 31014 1 17 . GLN . 31014 1 18 . CYS . 31014 1 19 . MET . 31014 1 20 . ARG . 31014 1 21 . GLN . 31014 1 22 . CYS . 31014 1 23 . GLU . 31014 1 24 . ARG . 31014 1 25 . GLN . 31014 1 26 . GLU . 31014 1 27 . GLY . 31014 1 28 . GLY . 31014 1 29 . GLN . 31014 1 30 . GLN . 31014 1 31 . LYS . 31014 1 32 . GLN . 31014 1 33 . LEU . 31014 1 34 . CYS . 31014 1 35 . ARG . 31014 1 36 . PHE . 31014 1 37 . ARG . 31014 1 38 . CYS . 31014 1 39 . GLN . 31014 1 40 . GLU . 31014 1 41 . ARG . 31014 1 42 . TYR . 31014 1 43 . LYS . 31014 1 44 . LYS . 31014 1 45 . GLU . 31014 1 46 . ARG . 31014 1 47 . GLY . 31014 1 48 . GLN . 31014 1 49 . HIS . 31014 1 50 . ASN . 31014 1 51 . TYR . 31014 1 52 . LYS . 31014 1 53 . ARG . 31014 1 54 . GLU . 31014 1 55 . ASP . 31014 1 56 . ASP . 31014 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 31014 1 . VAL 2 2 31014 1 . ASP 3 3 31014 1 . GLU 4 4 31014 1 . PRO 5 5 31014 1 . SER 6 6 31014 1 . THR 7 7 31014 1 . HIS 8 8 31014 1 . GLU 9 9 31014 1 . PRO 10 10 31014 1 . ALA 11 11 31014 1 . GLU 12 12 31014 1 . LYS 13 13 31014 1 . HIS 14 14 31014 1 . LEU 15 15 31014 1 . SER 16 16 31014 1 . GLN 17 17 31014 1 . CYS 18 18 31014 1 . MET 19 19 31014 1 . ARG 20 20 31014 1 . GLN 21 21 31014 1 . CYS 22 22 31014 1 . GLU 23 23 31014 1 . ARG 24 24 31014 1 . GLN 25 25 31014 1 . GLU 26 26 31014 1 . GLY 27 27 31014 1 . GLY 28 28 31014 1 . GLN 29 29 31014 1 . GLN 30 30 31014 1 . LYS 31 31 31014 1 . GLN 32 32 31014 1 . LEU 33 33 31014 1 . CYS 34 34 31014 1 . ARG 35 35 31014 1 . PHE 36 36 31014 1 . ARG 37 37 31014 1 . CYS 38 38 31014 1 . GLN 39 39 31014 1 . GLU 40 40 31014 1 . ARG 41 41 31014 1 . TYR 42 42 31014 1 . LYS 43 43 31014 1 . LYS 44 44 31014 1 . GLU 45 45 31014 1 . ARG 46 46 31014 1 . GLY 47 47 31014 1 . GLN 48 48 31014 1 . HIS 49 49 31014 1 . ASN 50 50 31014 1 . TYR 51 51 31014 1 . LYS 52 52 31014 1 . ARG 53 53 31014 1 . GLU 54 54 31014 1 . ASP 55 55 31014 1 . ASP 56 56 31014 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 31014 _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 . 171929 organism . 'Anacardium occidentale' cashew . . Eukaryota Viridiplantae Anacardium occidentale . . . . . . . . . . . 'Ana o 1.0101' . 31014 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 31014 _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(DE3)' . . 469008 . . . . . . . . . . . . 31014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31014 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 uM 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 . . . . . mM . . . . 31014 1 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 31014 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 31014 _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 31014 1 pH 7.5 . pH 31014 1 pressure 1 . atm 31014 1 temperature 298.15 . K 31014 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31014 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 31014 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31014 1 'peak picking' . 31014 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31014 _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' . . 31014 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31014 2 'structure calculation' . 31014 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31014 _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' . . 31014 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31014 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31014 _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' . . 31014 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31014 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 31014 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31014 _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 . . . 31014 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 31014 _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 HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31014 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31014 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31014 1 4 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31014 1 5 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31014 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31014 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31014 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31014 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 31014 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 31014 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31014 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31014 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 31014 _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 HNCO' . . . 31014 1 2 '3D HNCACB' . . . 31014 1 3 '3D CBCA(CO)NH' . . . 31014 1 4 '3D C(CO)NH' . . . 31014 1 5 '3D H(CCO)NH' . . . 31014 1 6 '3D 1H-13C NOESY' . . . 31014 1 7 '2D 1H-13C HSQC' . . . 31014 1 8 '3D 1H-15N NOESY' . . . 31014 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 4.0610 0.0000 . 2 . . 8495 . A 1 GLY HA2 . 31014 1 2 . 1 . 1 1 1 GLY CA C 13 45.1771 0.0000 . 1 . . . . A 1 GLY CA . 31014 1 3 . 1 . 1 2 2 VAL H H 1 8.2219 0.0000 . 1 . . 5208 . A 2 VAL H . 31014 1 4 . 1 . 1 2 2 VAL HA H 1 4.1620 0.0000 . 1 . . 8285 . A 2 VAL HA . 31014 1 5 . 1 . 1 2 2 VAL HB H 1 2.1170 0.0000 . 1 . . 8294 . A 2 VAL HB . 31014 1 6 . 1 . 1 2 2 VAL HG11 H 1 0.9280 0.0000 . 2 . . 8297 . A 2 VAL HG11 . 31014 1 7 . 1 . 1 2 2 VAL HG12 H 1 0.9280 0.0000 . 2 . . 8297 . A 2 VAL HG12 . 31014 1 8 . 1 . 1 2 2 VAL HG13 H 1 0.9280 0.0000 . 2 . . 8297 . A 2 VAL HG13 . 31014 1 9 . 1 . 1 2 2 VAL HG21 H 1 0.9380 0.0000 . 2 . . . . A 2 VAL HG21 . 31014 1 10 . 1 . 1 2 2 VAL HG22 H 1 0.9380 0.0000 . 2 . . . . A 2 VAL HG22 . 31014 1 11 . 1 . 1 2 2 VAL HG23 H 1 0.9380 0.0000 . 2 . . . . A 2 VAL HG23 . 31014 1 12 . 1 . 1 2 2 VAL CA C 13 62.3870 0.0000 . 1 . . 8121 . A 2 VAL CA . 31014 1 13 . 1 . 1 2 2 VAL CB C 13 32.7320 0.0000 . 1 . . 5221 . A 2 VAL CB . 31014 1 14 . 1 . 1 2 2 VAL CG1 C 13 20.1500 0.0000 . 2 . . 8720 . A 2 VAL CG1 . 31014 1 15 . 1 . 1 2 2 VAL CG2 C 13 21.0360 0.0000 . 2 . . . . A 2 VAL CG2 . 31014 1 16 . 1 . 1 2 2 VAL N N 15 118.7996 0.0000 . 1 . . 5210 . A 2 VAL N . 31014 1 17 . 1 . 1 3 3 ASP H H 1 8.4281 0.0000 . 1 . . 2577 . A 3 ASP H . 31014 1 18 . 1 . 1 3 3 ASP HA H 1 4.6140 0.0000 . 1 . . 8309 . A 3 ASP HA . 31014 1 19 . 1 . 1 3 3 ASP HB2 H 1 2.6760 0.0000 . 2 . . 8324 . A 3 ASP HB2 . 31014 1 20 . 1 . 1 3 3 ASP HB3 H 1 2.5940 0.0000 . 2 . . . . A 3 ASP HB3 . 31014 1 21 . 1 . 1 3 3 ASP CA C 13 54.3553 0.0000 . 1 . . 10158 . A 3 ASP CA . 31014 1 22 . 1 . 1 3 3 ASP CB C 13 41.1940 0.0000 . 1 . . 10162 . A 3 ASP CB . 31014 1 23 . 1 . 1 3 3 ASP N N 15 123.1017 0.0000 . 1 . . 2579 . A 3 ASP N . 31014 1 24 . 1 . 1 4 4 GLU H H 1 8.1376 0.0000 . 1 . . 3127 . A 4 GLU H . 31014 1 25 . 1 . 1 4 4 GLU HA H 1 4.6160 0.0000 . 1 . . . . A 4 GLU HA . 31014 1 26 . 1 . 1 4 4 GLU CA C 13 54.2910 0.0000 . 1 . . 3146 . A 4 GLU CA . 31014 1 27 . 1 . 1 4 4 GLU CB C 13 29.8849 0.0000 . 1 . . 7531 . A 4 GLU CB . 31014 1 28 . 1 . 1 4 4 GLU N N 15 122.1843 0.0000 . 1 . . 3129 . A 4 GLU N . 31014 1 29 . 1 . 1 5 5 PRO HA H 1 4.4260 0.0000 . 1 . . 8564 . A 5 PRO HA . 31014 1 30 . 1 . 1 5 5 PRO HB2 H 1 2.2910 0.0000 . 2 . . 8573 . A 5 PRO HB2 . 31014 1 31 . 1 . 1 5 5 PRO HB3 H 1 2.2910 0.0000 . 2 . . 8570 . A 5 PRO HB3 . 31014 1 32 . 1 . 1 5 5 PRO HG2 H 1 1.9830 0.0000 . 2 . . 8573 . A 5 PRO HG2 . 31014 1 33 . 1 . 1 5 5 PRO HD2 H 1 3.7480 0.0000 . 2 . . 8567 . A 5 PRO HD2 . 31014 1 34 . 1 . 1 5 5 PRO CA C 13 63.4283 0.0000 . 1 . . 2464 . A 5 PRO CA . 31014 1 35 . 1 . 1 5 5 PRO CB C 13 32.1555 0.0000 . 1 . . 2467 . A 5 PRO CB . 31014 1 36 . 1 . 1 5 5 PRO CG C 13 27.4040 0.0000 . 1 . . 9077 . A 5 PRO CG . 31014 1 37 . 1 . 1 5 5 PRO CD C 13 50.6820 0.0000 . 1 . . 9071 . A 5 PRO CD . 31014 1 38 . 1 . 1 6 6 SER H H 1 8.5200 0.0000 . 1 . . 2466 . A 6 SER H . 31014 1 39 . 1 . 1 6 6 SER HA H 1 4.4900 0.0000 . 1 . . 8576 . A 6 SER HA . 31014 1 40 . 1 . 1 6 6 SER HB2 H 1 3.9120 0.0000 . 2 . . 8579 . A 6 SER HB2 . 31014 1 41 . 1 . 1 6 6 SER HB3 H 1 3.8610 0.0000 . 2 . . . . A 6 SER HB3 . 31014 1 42 . 1 . 1 6 6 SER CA C 13 58.5314 0.0000 . 1 . . 5309 . A 6 SER CA . 31014 1 43 . 1 . 1 6 6 SER CB C 13 63.7885 0.0000 . 1 . . 2086 . A 6 SER CB . 31014 1 44 . 1 . 1 6 6 SER N N 15 116.0905 0.0000 . 1 . . 2468 . A 6 SER N . 31014 1 45 . 1 . 1 7 7 THR H H 1 8.1274 0.0000 . 1 . . 7559 . A 7 THR H . 31014 1 46 . 1 . 1 7 7 THR HA H 1 4.3050 0.0000 . 1 . . . . A 7 THR HA . 31014 1 47 . 1 . 1 7 7 THR HB H 1 4.2320 0.0000 . 1 . . . . A 7 THR HB . 31014 1 48 . 1 . 1 7 7 THR HG21 H 1 1.1580 0.0000 . 1 . . 8351 . A 7 THR HG21 . 31014 1 49 . 1 . 1 7 7 THR HG22 H 1 1.1580 0.0000 . 1 . . 8351 . A 7 THR HG22 . 31014 1 50 . 1 . 1 7 7 THR HG23 H 1 1.1580 0.0000 . 1 . . 8351 . A 7 THR HG23 . 31014 1 51 . 1 . 1 7 7 THR CA C 13 62.0411 0.0000 . 1 . . 8165 . A 7 THR CA . 31014 1 52 . 1 . 1 7 7 THR CB C 13 69.7748 0.0000 . 1 . . 8154 . A 7 THR CB . 31014 1 53 . 1 . 1 7 7 THR CG2 C 13 21.5400 0.0000 . 1 . . 8798 . A 7 THR CG2 . 31014 1 54 . 1 . 1 7 7 THR N N 15 115.1478 0.0000 . 1 . . 7561 . A 7 THR N . 31014 1 55 . 1 . 1 8 8 HIS H H 1 8.2414 0.0000 . 1 . . 7628 . A 8 HIS H . 31014 1 56 . 1 . 1 8 8 HIS HA H 1 4.5852 0.0000 . 1 . . . . A 8 HIS HA . 31014 1 57 . 1 . 1 8 8 HIS HB2 H 1 3.1496 0.0000 . 2 . . . . A 8 HIS HB2 . 31014 1 58 . 1 . 1 8 8 HIS HD2 H 1 7.0370 0.0000 . 1 . . . . A 8 HIS HD2 . 31014 1 59 . 1 . 1 8 8 HIS HE1 H 1 7.9250 0.0000 . 1 . . . . A 8 HIS HE1 . 31014 1 60 . 1 . 1 8 8 HIS CA C 13 56.3800 0.0000 . 1 . . 9248 . A 8 HIS CA . 31014 1 61 . 1 . 1 8 8 HIS CB C 13 31.1790 0.0000 . 1 . . 10038 . A 8 HIS CB . 31014 1 62 . 1 . 1 8 8 HIS CD2 C 13 119.3507 0.0000 . 1 . . . . A 8 HIS CD2 . 31014 1 63 . 1 . 1 8 8 HIS CE1 C 13 136.9850 0.0000 . 1 . . . . A 8 HIS CE1 . 31014 1 64 . 1 . 1 8 8 HIS N N 15 121.4227 0.0000 . 1 . . 7630 . A 8 HIS N . 31014 1 65 . 1 . 1 9 9 GLU N N 15 118.0000 0.0000 . 1 . . . . A 9 GLU N . 31014 1 66 . 1 . 1 10 10 PRO HA H 1 4.1810 0.0000 . 1 . . 8387 . A 10 PRO HA . 31014 1 67 . 1 . 1 10 10 PRO HB2 H 1 2.2440 0.0000 . 2 . . . . A 10 PRO HB2 . 31014 1 68 . 1 . 1 10 10 PRO HG2 H 1 2.0240 0.0000 . 2 . . 8405 . A 10 PRO HG2 . 31014 1 69 . 1 . 1 10 10 PRO HD2 H 1 3.7430 0.0000 . 2 . . 8393 . A 10 PRO HD2 . 31014 1 70 . 1 . 1 10 10 PRO CA C 13 64.7479 0.0000 . 1 . . 2296 . A 10 PRO CA . 31014 1 71 . 1 . 1 10 10 PRO CB C 13 31.9202 0.0000 . 1 . . 2311 . A 10 PRO CB . 31014 1 72 . 1 . 1 10 10 PRO CG C 13 27.7000 0.0000 . 1 . . 8855 . A 10 PRO CG . 31014 1 73 . 1 . 1 10 10 PRO CD C 13 50.6460 0.0000 . 1 . . 8834 . A 10 PRO CD . 31014 1 74 . 1 . 1 11 11 ALA H H 1 8.6397 0.0000 . 1 . . 1809 . A 11 ALA H . 31014 1 75 . 1 . 1 11 11 ALA HA H 1 4.2020 0.0000 . 1 . . . . A 11 ALA HA . 31014 1 76 . 1 . 1 11 11 ALA HB1 H 1 1.4530 0.0000 . 1 . . 8534 . A 11 ALA HB1 . 31014 1 77 . 1 . 1 11 11 ALA HB2 H 1 1.4530 0.0000 . 1 . . 8534 . A 11 ALA HB2 . 31014 1 78 . 1 . 1 11 11 ALA HB3 H 1 1.4530 0.0000 . 1 . . 8534 . A 11 ALA HB3 . 31014 1 79 . 1 . 1 11 11 ALA CA C 13 54.9474 0.0000 . 1 . . 7497 . A 11 ALA CA . 31014 1 80 . 1 . 1 11 11 ALA CB C 13 18.6282 0.0000 . 1 . . 7493 . A 11 ALA CB . 31014 1 81 . 1 . 1 11 11 ALA N N 15 120.7070 0.0000 . 1 . . 1811 . A 11 ALA N . 31014 1 82 . 1 . 1 12 12 GLU H H 1 8.2346 0.0000 . 1 . . 2013 . A 12 GLU H . 31014 1 83 . 1 . 1 12 12 GLU HA H 1 4.0920 0.0000 . 1 . . 8315 . A 12 GLU HA . 31014 1 84 . 1 . 1 12 12 GLU HB2 H 1 2.0760 0.0000 . 2 . . 8327 . A 12 GLU HB2 . 31014 1 85 . 1 . 1 12 12 GLU HG2 H 1 2.3960 0.0000 . 2 . . 8327 . A 12 GLU HG2 . 31014 1 86 . 1 . 1 12 12 GLU CA C 13 59.1766 0.0000 . 1 . . 7489 . A 12 GLU CA . 31014 1 87 . 1 . 1 12 12 GLU CB C 13 29.2952 0.0000 . 1 . . 7485 . A 12 GLU CB . 31014 1 88 . 1 . 1 12 12 GLU CG C 13 36.6560 0.0000 . 1 . . 8753 . A 12 GLU CG . 31014 1 89 . 1 . 1 12 12 GLU N N 15 118.1223 0.0000 . 1 . . 2015 . A 12 GLU N . 31014 1 90 . 1 . 1 13 13 LYS H H 1 7.9768 0.0000 . 1 . . 2202 . A 13 LYS H . 31014 1 91 . 1 . 1 13 13 LYS HA H 1 4.0610 0.0000 . 1 . . . . A 13 LYS HA . 31014 1 92 . 1 . 1 13 13 LYS HB2 H 1 1.6560 0.0000 . 2 . . . . A 13 LYS HB2 . 31014 1 93 . 1 . 1 13 13 LYS HG2 H 1 1.3040 0.0000 . 2 . . . . A 13 LYS HG2 . 31014 1 94 . 1 . 1 13 13 LYS HG3 H 1 1.4240 0.0000 . 2 . . . . A 13 LYS HG3 . 31014 1 95 . 1 . 1 13 13 LYS HD2 H 1 1.6520 0.0000 . 2 . . . . A 13 LYS HD2 . 31014 1 96 . 1 . 1 13 13 LYS HE2 H 1 2.9481 0.0000 . 2 . . . . A 13 LYS HE2 . 31014 1 97 . 1 . 1 13 13 LYS CA C 13 58.8690 0.0000 . 1 . . 7499 . A 13 LYS CA . 31014 1 98 . 1 . 1 13 13 LYS CB C 13 32.1007 0.0000 . 1 . . 7501 . A 13 LYS CB . 31014 1 99 . 1 . 1 13 13 LYS CG C 13 24.8680 0.0000 . 1 . . 9002 . A 13 LYS CG . 31014 1 100 . 1 . 1 13 13 LYS CD C 13 29.1800 0.0000 . 1 . . 8999 . A 13 LYS CD . 31014 1 101 . 1 . 1 13 13 LYS CE C 13 42.0350 0.0000 . 1 . . 8990 . A 13 LYS CE . 31014 1 102 . 1 . 1 13 13 LYS N N 15 122.0395 0.0000 . 1 . . 2204 . A 13 LYS N . 31014 1 103 . 1 . 1 14 14 HIS H H 1 8.2009 0.0000 . 1 . . 2412 . A 14 HIS H . 31014 1 104 . 1 . 1 14 14 HIS HA H 1 4.6040 0.0000 . 1 . . . . A 14 HIS HA . 31014 1 105 . 1 . 1 14 14 HIS HB2 H 1 3.1160 0.0000 . 2 . . 8321 . A 14 HIS HB2 . 31014 1 106 . 1 . 1 14 14 HIS HD2 H 1 6.9064 0.0000 . 1 . . . . A 14 HIS HD2 . 31014 1 107 . 1 . 1 14 14 HIS CA C 13 58.0874 0.0000 . 1 . . 9920 . A 14 HIS CA . 31014 1 108 . 1 . 1 14 14 HIS CB C 13 29.7090 0.0000 . 1 . . 8762 . A 14 HIS CB . 31014 1 109 . 1 . 1 14 14 HIS CD2 C 13 119.1462 0.0000 . 1 . . . . A 14 HIS CD2 . 31014 1 110 . 1 . 1 14 14 HIS N N 15 118.8807 0.0000 . 1 . . 2414 . A 14 HIS N . 31014 1 111 . 1 . 1 15 15 LEU H H 1 8.0914 0.0000 . 1 . . 2226 . A 15 LEU H . 31014 1 112 . 1 . 1 15 15 LEU HA H 1 4.3400 0.0000 . 1 . . 8588 . A 15 LEU HA . 31014 1 113 . 1 . 1 15 15 LEU HB2 H 1 1.8460 0.0000 . 2 . . 8591 . A 15 LEU HB2 . 31014 1 114 . 1 . 1 15 15 LEU HG H 1 1.4400 0.0000 . 1 . . 8594 . A 15 LEU HG . 31014 1 115 . 1 . 1 15 15 LEU HD11 H 1 0.8190 0.0000 . 2 . . 8597 . A 15 LEU HD11 . 31014 1 116 . 1 . 1 15 15 LEU HD12 H 1 0.8190 0.0000 . 2 . . 8597 . A 15 LEU HD12 . 31014 1 117 . 1 . 1 15 15 LEU HD13 H 1 0.8190 0.0000 . 2 . . 8597 . A 15 LEU HD13 . 31014 1 118 . 1 . 1 15 15 LEU HD21 H 1 0.4350 0.0000 . 2 . . 8600 . A 15 LEU HD21 . 31014 1 119 . 1 . 1 15 15 LEU HD22 H 1 0.4350 0.0000 . 2 . . 8600 . A 15 LEU HD22 . 31014 1 120 . 1 . 1 15 15 LEU HD23 H 1 0.4350 0.0000 . 2 . . 8600 . A 15 LEU HD23 . 31014 1 121 . 1 . 1 15 15 LEU CA C 13 58.1737 0.0000 . 1 . . 9839 . A 15 LEU CA . 31014 1 122 . 1 . 1 15 15 LEU CB C 13 41.1866 0.0000 . 1 . . 5510 . A 15 LEU CB . 31014 1 123 . 1 . 1 15 15 LEU CG C 13 26.9710 0.0000 . 1 . . 9110 . A 15 LEU CG . 31014 1 124 . 1 . 1 15 15 LEU CD1 C 13 23.7040 0.0000 . 2 . . 9113 . A 15 LEU CD1 . 31014 1 125 . 1 . 1 15 15 LEU CD2 C 13 24.8360 0.0000 . 2 . . . . A 15 LEU CD2 . 31014 1 126 . 1 . 1 15 15 LEU N N 15 121.9812 0.0000 . 1 . . 2228 . A 15 LEU N . 31014 1 127 . 1 . 1 16 16 SER H H 1 8.0516 0.0000 . 1 . . 5497 . A 16 SER H . 31014 1 128 . 1 . 1 16 16 SER HA H 1 4.1166 0.0000 . 1 . . . . A 16 SER HA . 31014 1 129 . 1 . 1 16 16 SER HB2 H 1 3.9860 0.0000 . 2 . . . . A 16 SER HB2 . 31014 1 130 . 1 . 1 16 16 SER CA C 13 61.4723 0.0000 . 1 . . . . A 16 SER CA . 31014 1 131 . 1 . 1 16 16 SER CB C 13 62.6150 0.0000 . 1 . . 5504 . A 16 SER CB . 31014 1 132 . 1 . 1 16 16 SER N N 15 114.1164 0.0000 . 1 . . 5499 . A 16 SER N . 31014 1 133 . 1 . 1 17 17 GLN H H 1 7.9983 0.0000 . 1 . . 3766 . A 17 GLN H . 31014 1 134 . 1 . 1 17 17 GLN HA H 1 4.0420 0.0000 . 1 . . 8345 . A 17 GLN HA . 31014 1 135 . 1 . 1 17 17 GLN HB2 H 1 2.1160 0.0000 . 2 . . 8348 . A 17 GLN HB2 . 31014 1 136 . 1 . 1 17 17 GLN HG2 H 1 2.4790 0.0000 . 2 . . 8348 . A 17 GLN HG2 . 31014 1 137 . 1 . 1 17 17 GLN CA C 13 59.2455 0.0000 . 1 . . 8224 . A 17 GLN CA . 31014 1 138 . 1 . 1 17 17 GLN CB C 13 28.3937 0.0000 . 1 . . 8228 . A 17 GLN CB . 31014 1 139 . 1 . 1 17 17 GLN CG C 13 33.7080 0.0000 . 1 . . 8792 . A 17 GLN CG . 31014 1 140 . 1 . 1 17 17 GLN N N 15 120.8251 0.0000 . 1 . . 3768 . A 17 GLN N . 31014 1 141 . 1 . 1 18 18 CYS H H 1 8.3414 0.0000 . 1 . . 6126 . A 18 CYS H . 31014 1 142 . 1 . 1 18 18 CYS HA H 1 4.2490 0.0000 . 1 . . . . A 18 CYS HA . 31014 1 143 . 1 . 1 18 18 CYS HB2 H 1 3.5040 0.0000 . 2 . . 8543 . A 18 CYS HB2 . 31014 1 144 . 1 . 1 18 18 CYS HB3 H 1 3.1440 0.0000 . 2 . . 8549 . A 18 CYS HB3 . 31014 1 145 . 1 . 1 18 18 CYS CA C 13 60.9327 0.0000 . 1 . . 6133 . A 18 CYS CA . 31014 1 146 . 1 . 1 18 18 CYS CB C 13 36.8500 0.0000 . 1 . . 6142 . A 18 CYS CB . 31014 1 147 . 1 . 1 18 18 CYS N N 15 121.3235 0.0000 . 1 . . 6128 . A 18 CYS N . 31014 1 148 . 1 . 1 19 19 MET H H 1 8.7643 0.0000 . 1 . . 2022 . A 19 MET H . 31014 1 149 . 1 . 1 19 19 MET HA H 1 4.6790 0.0000 . 1 . . 8354 . A 19 MET HA . 31014 1 150 . 1 . 1 19 19 MET HB2 H 1 2.2650 0.0000 . 2 . . 8402 . A 19 MET HB2 . 31014 1 151 . 1 . 1 19 19 MET HG2 H 1 2.7190 0.0000 . 2 . . . . A 19 MET HG2 . 31014 1 152 . 1 . 1 19 19 MET CA C 13 58.0027 0.0000 . 1 . . 2032 . A 19 MET CA . 31014 1 153 . 1 . 1 19 19 MET CB C 13 31.9553 0.0000 . 1 . . 2053 . A 19 MET CB . 31014 1 154 . 1 . 1 19 19 MET CG C 13 33.2360 0.0000 . 1 . . 8843 . A 19 MET CG . 31014 1 155 . 1 . 1 19 19 MET N N 15 117.7708 0.0000 . 1 . . 2024 . A 19 MET N . 31014 1 156 . 1 . 1 20 20 ARG H H 1 8.0793 0.0000 . 1 . . 2301 . A 20 ARG H . 31014 1 157 . 1 . 1 20 20 ARG HA H 1 4.1130 0.0000 . 1 . . . . A 20 ARG HA . 31014 1 158 . 1 . 1 20 20 ARG HB2 H 1 1.9050 0.0000 . 2 . . . . A 20 ARG HB2 . 31014 1 159 . 1 . 1 20 20 ARG HG2 H 1 1.7370 0.0000 . 2 . . . . A 20 ARG HG2 . 31014 1 160 . 1 . 1 20 20 ARG HD2 H 1 3.2310 0.0000 . 2 . . 8471 . A 20 ARG HD2 . 31014 1 161 . 1 . 1 20 20 ARG CA C 13 59.4679 0.0000 . 1 . . 1819 . A 20 ARG CA . 31014 1 162 . 1 . 1 20 20 ARG CB C 13 30.1021 0.0000 . 1 . . 1843 . A 20 ARG CB . 31014 1 163 . 1 . 1 20 20 ARG CG C 13 27.6090 0.0000 . 1 . . 8960 . A 20 ARG CG . 31014 1 164 . 1 . 1 20 20 ARG CD C 13 43.3650 0.0000 . 1 . . 8930 . A 20 ARG CD . 31014 1 165 . 1 . 1 20 20 ARG N N 15 120.6309 0.0000 . 1 . . 2303 . A 20 ARG N . 31014 1 166 . 1 . 1 21 21 GLN H H 1 7.8936 0.0000 . 1 . . 4463 . A 21 GLN H . 31014 1 167 . 1 . 1 21 21 GLN HA H 1 4.1540 0.0000 . 1 . . 8537 . A 21 GLN HA . 31014 1 168 . 1 . 1 21 21 GLN HG2 H 1 2.5510 0.0000 . 2 . . 8552 . A 21 GLN HG2 . 31014 1 169 . 1 . 1 21 21 GLN CA C 13 58.6531 0.0000 . 1 . . 4476 . A 21 GLN CA . 31014 1 170 . 1 . 1 21 21 GLN CB C 13 27.8122 0.0000 . 1 . . 4473 . A 21 GLN CB . 31014 1 171 . 1 . 1 21 21 GLN CG C 13 33.8020 0.0000 . 1 . . 9050 . A 21 GLN CG . 31014 1 172 . 1 . 1 21 21 GLN N N 15 119.2125 0.0000 . 1 . . 4465 . A 21 GLN N . 31014 1 173 . 1 . 1 22 22 CYS H H 1 7.9261 0.0000 . 1 . . 2040 . A 22 CYS H . 31014 1 174 . 1 . 1 22 22 CYS HA H 1 4.6720 0.0000 . 1 . . 8558 . A 22 CYS HA . 31014 1 175 . 1 . 1 22 22 CYS HB2 H 1 3.1710 0.0000 . 2 . . 8561 . A 22 CYS HB2 . 31014 1 176 . 1 . 1 22 22 CYS HB3 H 1 3.1710 0.0000 . 2 . . 8561 . A 22 CYS HB3 . 31014 1 177 . 1 . 1 22 22 CYS CA C 13 55.6207 0.0000 . 1 . . 2041 . A 22 CYS CA . 31014 1 178 . 1 . 1 22 22 CYS CB C 13 35.9446 0.0000 . 1 . . 2050 . A 22 CYS CB . 31014 1 179 . 1 . 1 22 22 CYS N N 15 117.5785 0.0000 . 1 . . 2042 . A 22 CYS N . 31014 1 180 . 1 . 1 23 23 GLU H H 1 7.6756 0.0000 . 1 . . 2454 . A 23 GLU H . 31014 1 181 . 1 . 1 23 23 GLU HA H 1 4.0470 0.0000 . 1 . . 8582 . A 23 GLU HA . 31014 1 182 . 1 . 1 23 23 GLU HG2 H 1 2.4700 0.0000 . 2 . . 8585 . A 23 GLU HG2 . 31014 1 183 . 1 . 1 23 23 GLU HG3 H 1 2.4700 0.0000 . 2 . . 8585 . A 23 GLU HG3 . 31014 1 184 . 1 . 1 23 23 GLU CA C 13 58.1202 0.0000 . 1 . . 2065 . A 23 GLU CA . 31014 1 185 . 1 . 1 23 23 GLU CB C 13 29.4670 0.0000 . 1 . . 2077 . A 23 GLU CB . 31014 1 186 . 1 . 1 23 23 GLU CG C 13 36.0690 0.0000 . 1 . . 9098 . A 23 GLU CG . 31014 1 187 . 1 . 1 23 23 GLU N N 15 116.9981 0.0000 . 1 . . 2456 . A 23 GLU N . 31014 1 188 . 1 . 1 24 24 ARG H H 1 7.4170 0.0000 . 1 . . 2091 . A 24 ARG H . 31014 1 189 . 1 . 1 24 24 ARG HA H 1 4.3420 0.0000 . 1 . . 8510 . A 24 ARG HA . 31014 1 190 . 1 . 1 24 24 ARG HB2 H 1 2.0920 0.0000 . 2 . . . . A 24 ARG HB2 . 31014 1 191 . 1 . 1 24 24 ARG HG2 H 1 1.7880 0.0000 . 2 . . 8531 . A 24 ARG HG2 . 31014 1 192 . 1 . 1 24 24 ARG HD2 H 1 3.2520 0.0000 . 2 . . 8522 . A 24 ARG HD2 . 31014 1 193 . 1 . 1 24 24 ARG CA C 13 56.4112 0.0000 . 1 . . 5342 . A 24 ARG CA . 31014 1 194 . 1 . 1 24 24 ARG CB C 13 30.3441 0.0000 . 1 . . 2098 . A 24 ARG CB . 31014 1 195 . 1 . 1 24 24 ARG CG C 13 27.3070 0.0000 . 1 . . 9026 . A 24 ARG CG . 31014 1 196 . 1 . 1 24 24 ARG CD C 13 43.4140 0.0000 . 1 . . 9014 . A 24 ARG CD . 31014 1 197 . 1 . 1 24 24 ARG N N 15 114.8897 0.0000 . 1 . . 2093 . A 24 ARG N . 31014 1 198 . 1 . 1 25 25 GLN H H 1 7.5085 0.0000 . 1 . . 1989 . A 25 GLN H . 31014 1 199 . 1 . 1 25 25 GLN HA H 1 4.2600 0.0000 . 1 . . 8336 . A 25 GLN HA . 31014 1 200 . 1 . 1 25 25 GLN HB2 H 1 1.9947 0.0000 . 2 . . . . A 25 GLN HB2 . 31014 1 201 . 1 . 1 25 25 GLN HG2 H 1 2.4290 0.0000 . 2 . . 8339 . A 25 GLN HG2 . 31014 1 202 . 1 . 1 25 25 GLN CA C 13 55.5915 0.0000 . 1 . . 9208 . A 25 GLN CA . 31014 1 203 . 1 . 1 25 25 GLN CB C 13 28.8925 0.0000 . 1 . . 9204 . A 25 GLN CB . 31014 1 204 . 1 . 1 25 25 GLN CG C 13 33.9970 0.0000 . 1 . . 8783 . A 25 GLN CG . 31014 1 205 . 1 . 1 25 25 GLN N N 15 118.2742 0.0000 . 1 . . 1991 . A 25 GLN N . 31014 1 206 . 1 . 1 26 26 GLU H H 1 8.5442 0.0000 . 1 . . 1719 . A 26 GLU H . 31014 1 207 . 1 . 1 26 26 GLU HA H 1 4.2840 0.0000 . 1 . . 8633 . A 26 GLU HA . 31014 1 208 . 1 . 1 26 26 GLU HG2 H 1 2.3020 0.0000 . 2 . . 8636 . A 26 GLU HG2 . 31014 1 209 . 1 . 1 26 26 GLU CA C 13 57.0343 0.0000 . 1 . . 1720 . A 26 GLU CA . 31014 1 210 . 1 . 1 26 26 GLU CB C 13 30.6163 0.0000 . 1 . . 1738 . A 26 GLU CB . 31014 1 211 . 1 . 1 26 26 GLU CG C 13 36.1590 0.0000 . 1 . . 9167 . A 26 GLU CG . 31014 1 212 . 1 . 1 26 26 GLU N N 15 121.5071 0.0000 . 1 . . 1721 . A 26 GLU N . 31014 1 213 . 1 . 1 27 27 GLY H H 1 8.4129 0.0000 . 1 . . 2544 . A 27 GLY H . 31014 1 214 . 1 . 1 27 27 GLY HA2 H 1 4.2604 0.0000 . 2 . . . . A 27 GLY HA2 . 31014 1 215 . 1 . 1 27 27 GLY HA3 H 1 3.9284 0.0000 . 2 . . . . A 27 GLY HA3 . 31014 1 216 . 1 . 1 27 27 GLY CA C 13 45.0884 0.0000 . 1 . . 10206 . A 27 GLY CA . 31014 1 217 . 1 . 1 27 27 GLY N N 15 110.4441 0.0000 . 1 . . 2546 . A 27 GLY N . 31014 1 218 . 1 . 1 28 28 GLY N N 15 118.0000 0.0000 . 1 . . . . A 28 GLY N . 31014 1 219 . 1 . 1 29 29 GLN HA H 1 4.1780 0.0000 . 1 . . 8462 . A 29 GLN HA . 31014 1 220 . 1 . 1 29 29 GLN HG2 H 1 2.4200 0.0000 . 2 . . 8477 . A 29 GLN HG2 . 31014 1 221 . 1 . 1 29 29 GLN CA C 13 58.7428 0.0000 . 1 . . 2368 . A 29 GLN CA . 31014 1 222 . 1 . 1 29 29 GLN CB C 13 28.3846 0.0000 . 1 . . 2392 . A 29 GLN CB . 31014 1 223 . 1 . 1 29 29 GLN CG C 13 33.8780 0.0000 . 1 . . 8948 . A 29 GLN CG . 31014 1 224 . 1 . 1 29 29 GLN N N 15 118.0000 0.0000 . 1 . . . . A 29 GLN N . 31014 1 225 . 1 . 1 30 30 GLN H H 1 8.5544 0.0000 . 1 . . 2391 . A 30 GLN H . 31014 1 226 . 1 . 1 30 30 GLN HA H 1 4.1010 0.0000 . 1 . . . . A 30 GLN HA . 31014 1 227 . 1 . 1 30 30 GLN HG2 H 1 2.5400 0.0000 . 2 . . . . A 30 GLN HG2 . 31014 1 228 . 1 . 1 30 30 GLN CA C 13 59.1244 0.0000 . 1 . . 1909 . A 30 GLN CA . 31014 1 229 . 1 . 1 30 30 GLN CG C 13 34.6380 0.0000 . 1 . . . . A 30 GLN CG . 31014 1 230 . 1 . 1 30 30 GLN N N 15 119.2671 0.0000 . 1 . . 2393 . A 30 GLN N . 31014 1 231 . 1 . 1 31 31 LYS H H 1 8.1677 0.0000 . 1 . . 9268 . A 31 LYS H . 31014 1 232 . 1 . 1 31 31 LYS HA H 1 3.8460 0.0000 . 1 . . 8519 . A 31 LYS HA . 31014 1 233 . 1 . 1 31 31 LYS HB2 H 1 1.7650 0.0000 . 2 . . 8528 . A 31 LYS HB2 . 31014 1 234 . 1 . 1 31 31 LYS HG2 H 1 1.5380 0.0000 . 2 . . . . A 31 LYS HG2 . 31014 1 235 . 1 . 1 31 31 LYS HD2 H 1 1.8474 0.0000 . 2 . . . . A 31 LYS HD2 . 31014 1 236 . 1 . 1 31 31 LYS HE2 H 1 3.1601 0.0000 . 2 . . . . A 31 LYS HE2 . 31014 1 237 . 1 . 1 31 31 LYS CA C 13 61.0185 0.0000 . 1 . . 9476 . A 31 LYS CA . 31014 1 238 . 1 . 1 31 31 LYS CB C 13 32.6750 0.0000 . 1 . . 9020 . A 31 LYS CB . 31014 1 239 . 1 . 1 31 31 LYS CG C 13 25.3480 0.0000 . 1 . . 9029 . A 31 LYS CG . 31014 1 240 . 1 . 1 31 31 LYS CD C 13 29.9460 0.0000 . 1 . . 9023 . A 31 LYS CD . 31014 1 241 . 1 . 1 31 31 LYS CE C 13 42.2860 0.0000 . 1 . . 9017 . A 31 LYS CE . 31014 1 242 . 1 . 1 31 31 LYS N N 15 121.5526 0.0000 . 1 . . 9270 . A 31 LYS N . 31014 1 243 . 1 . 1 32 32 GLN H H 1 8.0210 0.0000 . 1 . . 2010 . A 32 GLN H . 31014 1 244 . 1 . 1 32 32 GLN HA H 1 4.0080 0.0000 . 1 . . 8363 . A 32 GLN HA . 31014 1 245 . 1 . 1 32 32 GLN HB2 H 1 2.1389 0.0000 . 2 . . . . A 32 GLN HB2 . 31014 1 246 . 1 . 1 32 32 GLN HG2 H 1 2.3730 0.0000 . 2 . . 8381 . A 32 GLN HG2 . 31014 1 247 . 1 . 1 32 32 GLN CA C 13 59.2025 0.0000 . 1 . . 9262 . A 32 GLN CA . 31014 1 248 . 1 . 1 32 32 GLN CB C 13 28.2631 0.0000 . 1 . . 9266 . A 32 GLN CB . 31014 1 249 . 1 . 1 32 32 GLN CG C 13 33.6740 0.0000 . 1 . . 8822 . A 32 GLN CG . 31014 1 250 . 1 . 1 32 32 GLN N N 15 118.1999 0.0000 . 1 . . 2012 . A 32 GLN N . 31014 1 251 . 1 . 1 33 33 LEU H H 1 8.1486 0.0000 . 1 . . 1767 . A 33 LEU H . 31014 1 252 . 1 . 1 33 33 LEU HA H 1 4.1990 0.0000 . 1 . . 8468 . A 33 LEU HA . 31014 1 253 . 1 . 1 33 33 LEU HB2 H 1 1.9110 0.0000 . 2 . . 8486 . A 33 LEU HB2 . 31014 1 254 . 1 . 1 33 33 LEU HG H 1 1.7670 0.0000 . 1 . . . . A 33 LEU HG . 31014 1 255 . 1 . 1 33 33 LEU HD11 H 1 0.9500 0.0000 . 2 . . 8492 . A 33 LEU HD11 . 31014 1 256 . 1 . 1 33 33 LEU HD12 H 1 0.9500 0.0000 . 2 . . 8492 . A 33 LEU HD12 . 31014 1 257 . 1 . 1 33 33 LEU HD13 H 1 0.9500 0.0000 . 2 . . 8492 . A 33 LEU HD13 . 31014 1 258 . 1 . 1 33 33 LEU HD21 H 1 0.9150 0.0000 . 2 . . . . A 33 LEU HD21 . 31014 1 259 . 1 . 1 33 33 LEU HD22 H 1 0.9150 0.0000 . 2 . . . . A 33 LEU HD22 . 31014 1 260 . 1 . 1 33 33 LEU HD23 H 1 0.9150 0.0000 . 2 . . . . A 33 LEU HD23 . 31014 1 261 . 1 . 1 33 33 LEU CA C 13 57.9932 0.0000 . 1 . . 3714 . A 33 LEU CA . 31014 1 262 . 1 . 1 33 33 LEU CB C 13 41.7389 0.0000 . 1 . . 1783 . A 33 LEU CB . 31014 1 263 . 1 . 1 33 33 LEU CG C 13 27.1600 0.0000 . 1 . . . . A 33 LEU CG . 31014 1 264 . 1 . 1 33 33 LEU CD1 C 13 24.1940 0.0000 . 2 . . 8969 . A 33 LEU CD1 . 31014 1 265 . 1 . 1 33 33 LEU CD2 C 13 24.0817 0.0000 . 2 . . . . A 33 LEU CD2 . 31014 1 266 . 1 . 1 33 33 LEU N N 15 121.0123 0.0000 . 1 . . 1769 . A 33 LEU N . 31014 1 267 . 1 . 1 34 34 CYS H H 1 7.9218 0.0000 . 1 . . 2655 . A 34 CYS H . 31014 1 268 . 1 . 1 34 34 CYS HA H 1 4.2178 0.0000 . 1 . . . . A 34 CYS HA . 31014 1 269 . 1 . 1 34 34 CYS HB2 H 1 3.0491 0.0000 . 2 . . . . A 34 CYS HB2 . 31014 1 270 . 1 . 1 34 34 CYS HB3 H 1 3.5184 0.0000 . 2 . . . . A 34 CYS HB3 . 31014 1 271 . 1 . 1 34 34 CYS CA C 13 60.1593 0.0000 . 1 . . . . A 34 CYS CA . 31014 1 272 . 1 . 1 34 34 CYS CB C 13 35.3504 0.0000 . 1 . . 1933 . A 34 CYS CB . 31014 1 273 . 1 . 1 34 34 CYS N N 15 119.1721 0.0000 . 1 . . 2657 . A 34 CYS N . 31014 1 274 . 1 . 1 35 35 ARG H H 1 8.3726 0.0000 . 1 . . 1755 . A 35 ARG H . 31014 1 275 . 1 . 1 35 35 ARG HA H 1 4.1490 0.0000 . 1 . . . . A 35 ARG HA . 31014 1 276 . 1 . 1 35 35 ARG HB2 H 1 1.7010 0.0000 . 2 . . . . A 35 ARG HB2 . 31014 1 277 . 1 . 1 35 35 ARG HB3 H 1 1.8890 0.0000 . 2 . . . . A 35 ARG HB3 . 31014 1 278 . 1 . 1 35 35 ARG HG2 H 1 1.4900 0.0000 . 2 . . . . A 35 ARG HG2 . 31014 1 279 . 1 . 1 35 35 ARG HD2 H 1 3.1080 0.0000 . 2 . . . . A 35 ARG HD2 . 31014 1 280 . 1 . 1 35 35 ARG CA C 13 60.2191 0.0000 . 1 . . 1756 . A 35 ARG CA . 31014 1 281 . 1 . 1 35 35 ARG CB C 13 28.9650 0.0000 . 1 . . 1798 . A 35 ARG CB . 31014 1 282 . 1 . 1 35 35 ARG CG C 13 25.0980 0.0000 . 1 . . . . A 35 ARG CG . 31014 1 283 . 1 . 1 35 35 ARG CD C 13 42.2450 0.0000 . 1 . . . . A 35 ARG CD . 31014 1 284 . 1 . 1 35 35 ARG N N 15 120.9908 0.0000 . 1 . . 1757 . A 35 ARG N . 31014 1 285 . 1 . 1 36 36 PHE H H 1 8.3219 0.0000 . 1 . . 1815 . A 36 PHE H . 31014 1 286 . 1 . 1 36 36 PHE HA H 1 4.4080 0.0000 . 1 . . 8444 . A 36 PHE HA . 31014 1 287 . 1 . 1 36 36 PHE HB2 H 1 3.3470 0.0000 . 2 . . 8459 . A 36 PHE HB2 . 31014 1 288 . 1 . 1 36 36 PHE HE1 H 1 7.2670 0.0000 . 3 . . . . A 36 PHE HE1 . 31014 1 289 . 1 . 1 36 36 PHE HE2 H 1 7.3486 0.0000 . 3 . . . . A 36 PHE HE2 . 31014 1 290 . 1 . 1 36 36 PHE CA C 13 60.8041 0.0000 . 1 . . 3933 . A 36 PHE CA . 31014 1 291 . 1 . 1 36 36 PHE CB C 13 38.6500 0.0000 . 1 . . 1831 . A 36 PHE CB . 31014 1 292 . 1 . 1 36 36 PHE CE1 C 13 130.5970 0.0000 . 3 . . . . A 36 PHE CE1 . 31014 1 293 . 1 . 1 36 36 PHE CE2 C 13 130.6108 0.0000 . 3 . . . . A 36 PHE CE2 . 31014 1 294 . 1 . 1 36 36 PHE N N 15 120.5931 0.0000 . 1 . . 1817 . A 36 PHE N . 31014 1 295 . 1 . 1 37 37 ARG H H 1 8.3861 0.0000 . 1 . . 4194 . A 37 ARG H . 31014 1 296 . 1 . 1 37 37 ARG HA H 1 4.0230 0.0000 . 1 . . 8540 . A 37 ARG HA . 31014 1 297 . 1 . 1 37 37 ARG HB2 H 1 1.9890 0.0000 . 2 . . . . A 37 ARG HB2 . 31014 1 298 . 1 . 1 37 37 ARG HB3 H 1 2.1000 0.0000 . 2 . . . . A 37 ARG HB3 . 31014 1 299 . 1 . 1 37 37 ARG HG2 H 1 1.7560 0.0000 . 2 . . . . A 37 ARG HG2 . 31014 1 300 . 1 . 1 37 37 ARG HD2 H 1 3.2550 0.0000 . 2 . . 8546 . A 37 ARG HD2 . 31014 1 301 . 1 . 1 37 37 ARG CA C 13 59.8238 0.0000 . 1 . . 4210 . A 37 ARG CA . 31014 1 302 . 1 . 1 37 37 ARG CB C 13 29.6662 0.0000 . 1 . . 4201 . A 37 ARG CB . 31014 1 303 . 1 . 1 37 37 ARG CG C 13 28.1090 0.0000 . 1 . . 9056 . A 37 ARG CG . 31014 1 304 . 1 . 1 37 37 ARG CD C 13 43.6390 0.0000 . 1 . . 9044 . A 37 ARG CD . 31014 1 305 . 1 . 1 37 37 ARG N N 15 119.6413 0.0000 . 1 . . 4196 . A 37 ARG N . 31014 1 306 . 1 . 1 38 38 CYS H H 1 8.2758 0.0000 . 1 . . 2055 . A 38 CYS H . 31014 1 307 . 1 . 1 38 38 CYS HA H 1 4.4490 0.0000 . 1 . . . . A 38 CYS HA . 31014 1 308 . 1 . 1 38 38 CYS HB2 H 1 3.4540 0.0000 . 2 . . 8369 . A 38 CYS HB2 . 31014 1 309 . 1 . 1 38 38 CYS HB3 H 1 3.0040 0.0000 . 2 . . 8375 . A 38 CYS HB3 . 31014 1 310 . 1 . 1 38 38 CYS CA C 13 57.3058 0.0000 . 1 . . 2038 . A 38 CYS CA . 31014 1 311 . 1 . 1 38 38 CYS CB C 13 37.4638 0.0000 . 1 . . 2044 . A 38 CYS CB . 31014 1 312 . 1 . 1 38 38 CYS N N 15 117.7698 0.0000 . 1 . . 2057 . A 38 CYS N . 31014 1 313 . 1 . 1 39 39 GLN H H 1 8.2150 0.0000 . 1 . . 1761 . A 39 GLN H . 31014 1 314 . 1 . 1 39 39 GLN HA H 1 4.0100 0.0000 . 1 . . . . A 39 GLN HA . 31014 1 315 . 1 . 1 39 39 GLN HB2 H 1 1.9590 0.0000 . 2 . . 8450 . A 39 GLN HB2 . 31014 1 316 . 1 . 1 39 39 GLN HG2 H 1 2.4740 0.0000 . 2 . . . . A 39 GLN HG2 . 31014 1 317 . 1 . 1 39 39 GLN CA C 13 59.1856 0.0000 . 1 . . 9224 . A 39 GLN CA . 31014 1 318 . 1 . 1 39 39 GLN CB C 13 28.0679 0.0000 . 1 . . 9228 . A 39 GLN CB . 31014 1 319 . 1 . 1 39 39 GLN CG C 13 34.0500 0.0000 . 1 . . . . A 39 GLN CG . 31014 1 320 . 1 . 1 39 39 GLN N N 15 120.8831 0.0000 . 1 . . 1763 . A 39 GLN N . 31014 1 321 . 1 . 1 40 40 GLU H H 1 8.4018 0.0000 . 1 . . 4233 . A 40 GLU H . 31014 1 322 . 1 . 1 40 40 GLU HA H 1 3.9390 0.0000 . 1 . . . . A 40 GLU HA . 31014 1 323 . 1 . 1 40 40 GLU HB2 H 1 1.7420 0.0000 . 2 . . . . A 40 GLU HB2 . 31014 1 324 . 1 . 1 40 40 GLU HG2 H 1 1.9230 0.0000 . 2 . . . . A 40 GLU HG2 . 31014 1 325 . 1 . 1 40 40 GLU CA C 13 59.0251 0.0000 . 1 . . 9763 . A 40 GLU CA . 31014 1 326 . 1 . 1 40 40 GLU CB C 13 29.9155 0.0000 . 1 . . 9761 . A 40 GLU CB . 31014 1 327 . 1 . 1 40 40 GLU CG C 13 36.6340 0.0000 . 1 . . 8942 . A 40 GLU CG . 31014 1 328 . 1 . 1 40 40 GLU N N 15 120.1892 0.0000 . 1 . . 4235 . A 40 GLU N . 31014 1 329 . 1 . 1 41 41 ARG H H 1 7.9200 0.0000 . 1 . . 2361 . A 41 ARG H . 31014 1 330 . 1 . 1 41 41 ARG HA H 1 4.0160 0.0000 . 1 . . 8465 . A 41 ARG HA . 31014 1 331 . 1 . 1 41 41 ARG HB2 H 1 1.6680 0.0000 . 2 . . . . A 41 ARG HB2 . 31014 1 332 . 1 . 1 41 41 ARG HB3 H 1 1.8560 0.0000 . 2 . . . . A 41 ARG HB3 . 31014 1 333 . 1 . 1 41 41 ARG HG2 H 1 1.4570 0.0000 . 2 . . . . A 41 ARG HG2 . 31014 1 334 . 1 . 1 41 41 ARG HD2 H 1 3.1430 0.0000 . 2 . . . . A 41 ARG HD2 . 31014 1 335 . 1 . 1 41 41 ARG CA C 13 59.1203 0.0000 . 1 . . 6209 . A 41 ARG CA . 31014 1 336 . 1 . 1 41 41 ARG CB C 13 30.1034 0.0000 . 1 . . 1942 . A 41 ARG CB . 31014 1 337 . 1 . 1 41 41 ARG CG C 13 27.3180 0.0000 . 1 . . 8963 . A 41 ARG CG . 31014 1 338 . 1 . 1 41 41 ARG CD C 13 43.5360 0.0000 . 1 . . 8927 . A 41 ARG CD . 31014 1 339 . 1 . 1 41 41 ARG N N 15 119.2346 0.0000 . 1 . . 2363 . A 41 ARG N . 31014 1 340 . 1 . 1 42 42 TYR H H 1 7.7696 0.0000 . 1 . . 4637 . A 42 TYR H . 31014 1 341 . 1 . 1 42 42 TYR HA H 1 4.6480 0.0000 . 1 . . . . A 42 TYR HA . 31014 1 342 . 1 . 1 42 42 TYR HB2 H 1 3.0850 0.0000 . 2 . . . . A 42 TYR HB2 . 31014 1 343 . 1 . 1 42 42 TYR HB3 H 1 3.2250 0.0000 . 2 . . 8504 . A 42 TYR HB3 . 31014 1 344 . 1 . 1 42 42 TYR HD1 H 1 7.1600 0.0000 . 3 . . . . A 42 TYR HD1 . 31014 1 345 . 1 . 1 42 42 TYR HD2 H 1 7.8015 0.0000 . 3 . . . . A 42 TYR HD2 . 31014 1 346 . 1 . 1 42 42 TYR HE1 H 1 6.6590 0.0000 . 3 . . . . A 42 TYR HE1 . 31014 1 347 . 1 . 1 42 42 TYR CA C 13 60.1818 0.0000 . 1 . . 9250 . A 42 TYR CA . 31014 1 348 . 1 . 1 42 42 TYR CB C 13 39.0538 0.0000 . 1 . . 9254 . A 42 TYR CB . 31014 1 349 . 1 . 1 42 42 TYR CD1 C 13 132.9000 0.0000 . 3 . . . . A 42 TYR CD1 . 31014 1 350 . 1 . 1 42 42 TYR CD2 C 13 137.7780 0.0000 . 3 . . . . A 42 TYR CD2 . 31014 1 351 . 1 . 1 42 42 TYR CE1 C 13 117.2140 0.0000 . 3 . . . . A 42 TYR CE1 . 31014 1 352 . 1 . 1 42 42 TYR N N 15 119.2509 0.0000 . 1 . . 4639 . A 42 TYR N . 31014 1 353 . 1 . 1 43 43 LYS H H 1 7.9506 0.0000 . 1 . . 1965 . A 43 LYS H . 31014 1 354 . 1 . 1 43 43 LYS HA H 1 3.8610 0.0000 . 1 . . 8465 . A 43 LYS HA . 31014 1 355 . 1 . 1 43 43 LYS HB2 H 1 1.8600 0.0000 . 2 . . 8483 . A 43 LYS HB2 . 31014 1 356 . 1 . 1 43 43 LYS HG2 H 1 1.4900 0.0000 . 2 . . . . A 43 LYS HG2 . 31014 1 357 . 1 . 1 43 43 LYS HD2 H 1 1.6790 0.0000 . 2 . . . . A 43 LYS HD2 . 31014 1 358 . 1 . 1 43 43 LYS HE2 H 1 2.9481 0.0000 . 2 . . 8474 . A 43 LYS HE2 . 31014 1 359 . 1 . 1 43 43 LYS CA C 13 59.1847 0.0000 . 1 . . 8216 . A 43 LYS CA . 31014 1 360 . 1 . 1 43 43 LYS CB C 13 32.4830 0.0000 . 1 . . 8214 . A 43 LYS CB . 31014 1 361 . 1 . 1 43 43 LYS CG C 13 25.3840 0.0000 . 1 . . 8966 . A 43 LYS CG . 31014 1 362 . 1 . 1 43 43 LYS CD C 13 29.7700 0.0000 . 1 . . 8957 . A 43 LYS CD . 31014 1 363 . 1 . 1 43 43 LYS CE C 13 42.0540 0.0000 . 1 . . 8927 . A 43 LYS CE . 31014 1 364 . 1 . 1 43 43 LYS N N 15 119.0044 0.0000 . 1 . . 1967 . A 43 LYS N . 31014 1 365 . 1 . 1 44 44 LYS H H 1 7.7713 0.0000 . 1 . . 4649 . A 44 LYS H . 31014 1 366 . 1 . 1 44 44 LYS HA H 1 4.1380 0.0000 . 1 . . . . A 44 LYS HA . 31014 1 367 . 1 . 1 44 44 LYS HB2 H 1 1.9000 0.0000 . 2 . . . . A 44 LYS HB2 . 31014 1 368 . 1 . 1 44 44 LYS HG2 H 1 1.4360 0.0000 . 2 . . . . A 44 LYS HG2 . 31014 1 369 . 1 . 1 44 44 LYS HD2 H 1 1.7010 0.0000 . 2 . . . . A 44 LYS HD2 . 31014 1 370 . 1 . 1 44 44 LYS HE2 H 1 2.9481 0.0000 . 2 . . . . A 44 LYS HE2 . 31014 1 371 . 1 . 1 44 44 LYS CA C 13 58.0511 0.0000 . 1 . . 9789 . A 44 LYS CA . 31014 1 372 . 1 . 1 44 44 LYS CB C 13 32.7831 0.0000 . 1 . . 9793 . A 44 LYS CB . 31014 1 373 . 1 . 1 44 44 LYS CG C 13 25.3740 0.0000 . 1 . . . . A 44 LYS CG . 31014 1 374 . 1 . 1 44 44 LYS CD C 13 29.0520 0.0000 . 1 . . 8852 . A 44 LYS CD . 31014 1 375 . 1 . 1 44 44 LYS CE C 13 42.1810 0.0000 . 1 . . . . A 44 LYS CE . 31014 1 376 . 1 . 1 44 44 LYS N N 15 119.1838 0.0000 . 1 . . 4651 . A 44 LYS N . 31014 1 377 . 1 . 1 45 45 GLU H H 1 8.3303 0.0000 . 1 . . 1821 . A 45 GLU H . 31014 1 378 . 1 . 1 45 45 GLU HA H 1 4.0610 0.0000 . 1 . . 8495 . A 45 GLU HA . 31014 1 379 . 1 . 1 45 45 GLU HB2 H 1 2.3410 0.0000 . 2 . . 8480 . A 45 GLU HB2 . 31014 1 380 . 1 . 1 45 45 GLU CA C 13 58.2250 0.0000 . 1 . . 9785 . A 45 GLU CA . 31014 1 381 . 1 . 1 45 45 GLU CB C 13 30.2286 0.0000 . 1 . . 9787 . A 45 GLU CB . 31014 1 382 . 1 . 1 45 45 GLU CG C 13 36.5880 0.0000 . 1 . . 8936 . A 45 GLU CG . 31014 1 383 . 1 . 1 45 45 GLU N N 15 120.4356 0.0000 . 1 . . 1823 . A 45 GLU N . 31014 1 384 . 1 . 1 46 46 ARG H H 1 8.2094 0.0000 . 1 . . 2382 . A 46 ARG H . 31014 1 385 . 1 . 1 46 46 ARG HA H 1 4.0880 0.0000 . 1 . . 8639 . A 46 ARG HA . 31014 1 386 . 1 . 1 46 46 ARG HB2 H 1 1.5460 0.0000 . 2 . . 8645 . A 46 ARG HB2 . 31014 1 387 . 1 . 1 46 46 ARG HG2 H 1 1.3740 0.0000 . 2 . . . . A 46 ARG HG2 . 31014 1 388 . 1 . 1 46 46 ARG HD2 H 1 2.9080 0.0000 . 2 . . 8642 . A 46 ARG HD2 . 31014 1 389 . 1 . 1 46 46 ARG CA C 13 56.9419 0.0000 . 1 . . 9805 . A 46 ARG CA . 31014 1 390 . 1 . 1 46 46 ARG CB C 13 30.0142 0.0000 . 1 . . 9809 . A 46 ARG CB . 31014 1 391 . 1 . 1 46 46 ARG CG C 13 26.5860 0.0000 . 1 . . 9200 . A 46 ARG CG . 31014 1 392 . 1 . 1 46 46 ARG CD C 13 42.9540 0.0000 . 1 . . . . A 46 ARG CD . 31014 1 393 . 1 . 1 46 46 ARG N N 15 119.0990 0.0000 . 1 . . 2384 . A 46 ARG N . 31014 1 394 . 1 . 1 47 47 GLY H H 1 8.0339 0.0000 . 1 . . 2718 . A 47 GLY H . 31014 1 395 . 1 . 1 47 47 GLY HA2 H 1 3.9810 0.0000 . 2 . . 8255 . A 47 GLY HA2 . 31014 1 396 . 1 . 1 47 47 GLY CA C 13 45.4244 0.0000 . 1 . . 9216 . A 47 GLY CA . 31014 1 397 . 1 . 1 47 47 GLY N N 15 108.1201 0.0000 . 1 . . 2720 . A 47 GLY N . 31014 1 398 . 1 . 1 48 48 GLN H H 1 7.9496 0.0000 . 1 . . 1611 . A 48 GLN H . 31014 1 399 . 1 . 1 48 48 GLN HA H 1 4.4516 0.0000 . 1 . . . . A 48 GLN HA . 31014 1 400 . 1 . 1 48 48 GLN HB2 H 1 1.9641 0.0000 . 2 . . . . A 48 GLN HB2 . 31014 1 401 . 1 . 1 48 48 GLN HB3 H 1 2.0460 0.0000 . 2 . . . . A 48 GLN HB3 . 31014 1 402 . 1 . 1 48 48 GLN CA C 13 57.3475 0.0000 . 1 . . 1609 . A 48 GLN CA . 31014 1 403 . 1 . 1 48 48 GLN CB C 13 30.5488 0.0000 . 1 . . 10180 . A 48 GLN CB . 31014 1 404 . 1 . 1 48 48 GLN N N 15 124.5994 0.0000 . 1 . . 1613 . A 48 GLN N . 31014 1 405 . 1 . 1 49 49 HIS HA H 1 4.5673 0.0000 . 1 . . 8423 . A 49 HIS HA . 31014 1 406 . 1 . 1 49 49 HIS HB2 H 1 2.9988 0.0000 . 2 . . . . A 49 HIS HB2 . 31014 1 407 . 1 . 1 49 49 HIS HD2 H 1 6.9064 0.0000 . 1 . . . . A 49 HIS HD2 . 31014 1 408 . 1 . 1 49 49 HIS CA C 13 56.2310 0.0000 . 1 . . . . A 49 HIS CA . 31014 1 409 . 1 . 1 49 49 HIS CB C 13 30.8400 0.0000 . 1 . . . . A 49 HIS CB . 31014 1 410 . 1 . 1 49 49 HIS CD2 C 13 119.1000 0.0000 . 1 . . . . A 49 HIS CD2 . 31014 1 411 . 1 . 1 49 49 HIS N N 15 118.0000 0.0000 . 1 . . . . A 49 HIS N . 31014 1 412 . 1 . 1 50 50 ASN N N 15 118.0000 0.0000 . 1 . . . . A 50 ASN N . 31014 1 413 . 1 . 1 51 51 TYR HA H 1 4.5140 0.0000 . 1 . . 8261 . A 51 TYR HA . 31014 1 414 . 1 . 1 51 51 TYR HB2 H 1 2.9870 0.0000 . 2 . . 8264 . A 51 TYR HB2 . 31014 1 415 . 1 . 1 51 51 TYR HD1 H 1 7.0858 0.0000 . 3 . . . . A 51 TYR HD1 . 31014 1 416 . 1 . 1 51 51 TYR HE1 H 1 6.8047 0.0000 . 3 . . . . A 51 TYR HE1 . 31014 1 417 . 1 . 1 51 51 TYR CA C 13 58.1045 0.0000 . 1 . . 2895 . A 51 TYR CA . 31014 1 418 . 1 . 1 51 51 TYR CB C 13 38.8072 0.0000 . 1 . . 2898 . A 51 TYR CB . 31014 1 419 . 1 . 1 51 51 TYR CD1 C 13 132.4850 0.0000 . 3 . . . . A 51 TYR CD1 . 31014 1 420 . 1 . 1 51 51 TYR CE1 C 13 117.6490 0.0000 . 3 . . . . A 51 TYR CE1 . 31014 1 421 . 1 . 1 51 51 TYR N N 15 118.0000 0.0000 . 1 . . . . A 51 TYR N . 31014 1 422 . 1 . 1 52 52 LYS H H 1 8.1621 0.0000 . 1 . . 2894 . A 52 LYS H . 31014 1 423 . 1 . 1 52 52 LYS HA H 1 4.2710 0.0000 . 1 . . . . A 52 LYS HA . 31014 1 424 . 1 . 1 52 52 LYS HB2 H 1 1.7450 0.0000 . 2 . . . . A 52 LYS HB2 . 31014 1 425 . 1 . 1 52 52 LYS HG2 H 1 1.3350 0.0000 . 2 . . . . A 52 LYS HG2 . 31014 1 426 . 1 . 1 52 52 LYS HD2 H 1 1.6750 0.0000 . 2 . . 8276 . A 52 LYS HD2 . 31014 1 427 . 1 . 1 52 52 LYS HE2 H 1 2.9566 0.0000 . 2 . . . . A 52 LYS HE2 . 31014 1 428 . 1 . 1 52 52 LYS CA C 13 56.0518 0.0000 . 1 . . 10266 . A 52 LYS CA . 31014 1 429 . 1 . 1 52 52 LYS CB C 13 33.1903 0.0000 . 1 . . 10270 . A 52 LYS CB . 31014 1 430 . 1 . 1 52 52 LYS CG C 13 24.6130 0.0000 . 1 . . 8708 . A 52 LYS CG . 31014 1 431 . 1 . 1 52 52 LYS CD C 13 29.1080 0.0000 . 1 . . 8705 . A 52 LYS CD . 31014 1 432 . 1 . 1 52 52 LYS CE C 13 42.1200 0.0000 . 1 . . 8699 . A 52 LYS CE . 31014 1 433 . 1 . 1 52 52 LYS N N 15 123.8983 0.0000 . 1 . . 2896 . A 52 LYS N . 31014 1 434 . 1 . 1 53 53 ARG H H 1 8.4009 0.0000 . 1 . . 6360 . A 53 ARG H . 31014 1 435 . 1 . 1 53 53 ARG HA H 1 4.2650 0.0000 . 1 . . 8312 . A 53 ARG HA . 31014 1 436 . 1 . 1 53 53 ARG HB2 H 1 1.7890 0.0000 . 2 . . 8333 . A 53 ARG HB2 . 31014 1 437 . 1 . 1 53 53 ARG HG2 H 1 1.6760 0.0000 . 2 . . . . A 53 ARG HG2 . 31014 1 438 . 1 . 1 53 53 ARG HG3 H 1 1.6760 0.0000 . 2 . . 8333 . A 53 ARG HG3 . 31014 1 439 . 1 . 1 53 53 ARG HD2 H 1 3.2160 0.0000 . 2 . . 8318 . A 53 ARG HD2 . 31014 1 440 . 1 . 1 53 53 ARG CA C 13 56.6601 0.0000 . 1 . . 10284 . A 53 ARG CA . 31014 1 441 . 1 . 1 53 53 ARG CB C 13 31.2198 0.0000 . 1 . . 10288 . A 53 ARG CB . 31014 1 442 . 1 . 1 53 53 ARG CG C 13 27.1730 0.0000 . 1 . . 8765 . A 53 ARG CG . 31014 1 443 . 1 . 1 53 53 ARG CD C 13 43.3110 0.0000 . 1 . . 8747 . A 53 ARG CD . 31014 1 444 . 1 . 1 53 53 ARG N N 15 123.4315 0.0000 . 1 . . 6362 . A 53 ARG N . 31014 1 445 . 1 . 1 54 54 GLU H H 1 8.7070 0.0000 . 1 . . 2208 . A 54 GLU H . 31014 1 446 . 1 . 1 54 54 GLU HA H 1 4.2610 0.0000 . 1 . . 8423 . A 54 GLU HA . 31014 1 447 . 1 . 1 54 54 GLU HG2 H 1 2.2800 0.0000 . 2 . . 8438 . A 54 GLU HG2 . 31014 1 448 . 1 . 1 54 54 GLU CA C 13 57.1212 0.0000 . 1 . . 10300 . A 54 GLU CA . 31014 1 449 . 1 . 1 54 54 GLU CB C 13 30.0298 0.0000 . 1 . . 10304 . A 54 GLU CB . 31014 1 450 . 1 . 1 54 54 GLU CG C 13 36.3010 0.0000 . 1 . . 8885 . A 54 GLU CG . 31014 1 451 . 1 . 1 54 54 GLU N N 15 122.0707 0.0000 . 1 . . 2210 . A 54 GLU N . 31014 1 452 . 1 . 1 55 55 ASP H H 1 8.2924 0.0000 . 1 . . 2319 . A 55 ASP H . 31014 1 453 . 1 . 1 55 55 ASP HA H 1 4.6260 0.0000 . 1 . . . . A 55 ASP HA . 31014 1 454 . 1 . 1 55 55 ASP HB2 H 1 2.6650 0.0000 . 2 . . . . A 55 ASP HB2 . 31014 1 455 . 1 . 1 55 55 ASP CA C 13 54.6124 0.0000 . 1 . . 10292 . A 55 ASP CA . 31014 1 456 . 1 . 1 55 55 ASP CB C 13 41.3427 0.0000 . 1 . . 10296 . A 55 ASP CB . 31014 1 457 . 1 . 1 55 55 ASP N N 15 120.2583 0.0000 . 1 . . 2321 . A 55 ASP N . 31014 1 458 . 1 . 1 56 56 ASP H H 1 8.1159 0.0000 . 1 . . 3406 . A 56 ASP H . 31014 1 459 . 1 . 1 56 56 ASP HA H 1 4.3660 0.0000 . 1 . . . . A 56 ASP HA . 31014 1 460 . 1 . 1 56 56 ASP HB2 H 1 1.6850 0.0000 . 2 . . . . A 56 ASP HB2 . 31014 1 461 . 1 . 1 56 56 ASP HB3 H 1 1.5810 0.0000 . 2 . . . . A 56 ASP HB3 . 31014 1 462 . 1 . 1 56 56 ASP CA C 13 55.6360 0.0000 . 1 . . 9990 . A 56 ASP CA . 31014 1 463 . 1 . 1 56 56 ASP CB C 13 42.4074 0.0000 . 1 . . 9986 . A 56 ASP CB . 31014 1 464 . 1 . 1 56 56 ASP N N 15 121.6503 0.0000 . 1 . . 3408 . A 56 ASP N . 31014 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 31014 _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 2 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H C13 AO12_aromatic_gChsqc_031620.nv 1503.34912109 4523.03613281 599.598022461 150.772994995 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 {} 7.80469 0.03595 0.01491 ++ {0.0} {} {} 139.82834 0.84696 0.32350 ++ {0.0} {} 0.674075305462 0.0490 0 {} 0 0 0 1 {} 7.80558 0.03298 0.02043 ++ {0.0} {} {} 139.06020 0.06961 0.03578 ++ {0.0} {} 0.198355972767 0.0563 0 {} 0 0 0 2 {} 7.96073 0.02102 0.00369 ++ {0.0} {} {} 138.68753 0.13206 0.01998 ++ {0.0} {} 0.0891090556979 0.0453 0 {} 0 0 0 3 {} 7.80715 0.04406 0.12093 ++ {0.0} {} {} 138.50217 0.37745 0.78856 ++ {0.0} {} -48.9466819763 -1.6232 0 {} 0 0 0 4 {} 7.96081 0.03693 0.11139 ++ {0.0} {} {} 138.12601 0.53872 0.98949 ++ {0.0} {} -37.3282012939 -1.1785 0 {} 0 0 0 5 {} 8.01155 0.01363 0.01291 ++ {0.0} {} {} 137.57352 0.32545 0.08781 ++ {0.0} {} -0.260051220655 -0.0481 0 {} 0 0 0 6 {} 7.08166 0.03052 0.01592 ++ {0.0} {} {} 134.64323 0.71235 0.32885 ++ {0.0} {} 0.512626469135 0.0524 0 {} 0 0 0 7 {} 7.16036 0.04558 0.11933 ++ {0.0} {} {} 133.73418 0.42789 0.76638 ++ {0.0} {} -21.0671443939 -0.6257 0 {} 0 0 0 8 {} 7.08018 0.01586 0.00762 ++ {0.0} {} {} 133.77074 0.06395 0.02987 ++ {0.0} {} 0.108714938164 0.0546 0 {} 0 0 0 9 {} 7.08238 0.03695 0.13036 ++ {0.0} {} {} 133.25195 0.39250 0.80528 ++ {0.0} {} -45.348197937 -1.8664 0 {} 0 0 0 10 {} 6.80373 0.01830 0.01900 ++ {0.0} {} {} 133.24243 0.38075 0.39940 ++ {0.0} {} -0.682985961437 -0.0889 0 {} 0 0 0 11 {} 7.18718 0.07704 0.01551 ++ {0.0} {} {} 133.16458 0.30597 0.01943 ++ {0.0} {} 0.126884937286 0.0427 0 {} 0 0 0 12 {} 7.08381 0.03091 0.01025 ++ {0.0} {} {} 132.07600 0.49093 0.09902 ++ {0.0} {} -0.247263520956 -0.0461 0 {} 0 0 0 13 {} 7.26336 0.02479 0.02971 ++ {0.0} {} {} 131.81943 0.23201 0.27853 ++ {0.0} {} 1.36953020096 0.1109 0 {} 0 0 0 14 {} 7.34808 0.02837 0.02805 ++ {0.0} {} {} 131.40536 0.39942 0.39605 ++ {0.0} {} 1.0447384119 0.0825 0 {} 0 0 0 15 {} 7.26632 0.03709 0.04321 ++ {0.0} {} {} 131.38252 0.25829 0.28761 ++ {0.0} {} -1.24803972244 -0.1046 0 {} 0 0 0 16 {} 7.27320 0.03543 0.03854 ++ {0.0} {} {} 129.95959 0.36670 0.40423 ++ {0.0} {} -1.53006005287 -0.0955 0 {} 0 0 0 17 {} 7.05281 0.03213 0.11708 ++ {0.0} {} {} 119.96683 0.40307 0.85290 ++ {0.0} {} 38.0259399414 1.1960 0 {} 0 0 0 18 {} 6.98317 0.02627 0.05984 ++ {0.0} {} {} 119.72820 0.41327 0.84015 ++ {0.0} {} 19.2512626648 0.8441 0 {} 0 0 0 19 {} 6.90413 0.02905 0.07038 ++ {0.0} {} {} 119.73009 0.39787 0.78480 ++ {0.0} {} 14.0741176605 0.7954 0 {} 0 0 0 20 {} 6.80316 0.02391 0.00996 ++ {0.0} {} {} 119.59914 0.88008 0.21629 ++ {0.0} {} 0.35216075182 0.0483 0 {} 0 0 0 21 {} 6.80406 0.02738 0.03571 ++ {0.0} {} {} 118.74308 0.17072 0.23316 ++ {0.0} {} 0.883972644806 0.1419 0 {} 0 0 0 22 {} 7.05329 0.01991 0.00893 ++ {0.0} {} {} 118.24426 0.55121 0.23939 ++ {0.0} {} 0.280174911022 0.0513 0 {} 0 0 0 23 {} 6.80438 0.03203 0.11891 ++ {0.0} {} {} 118.24602 0.36140 0.71821 ++ {0.0} {} -37.1256370544 -1.9532 0 {} 0 0 0 24 {} 6.65096 0.03634 0.09815 ++ {0.0} {} {} 117.80998 0.40881 0.72105 ++ {0.0} {} -13.4998207092 -0.6034 0 {} 0 0 0 25 {} 6.80394 0.02817 0.00269 ++ {0.0} {} {} 116.72195 0.42648 0.27447 ++ {0.0} {} -0.158370524645 -0.0432 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 1 2 . . C 13 C-aliphatic . 'not observed' 9649.143 Hz . . . 46.153 . . 31014 1 3 . . N 15 HN . 'not observed' 1400.021 Hz . . . 119.161 . . 31014 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 31014 _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 3 _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 ; 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 text _Spectral_peak_list.Text_data ; label dataset sw sf H1 H N15 hc_co_nh.nv 2105.50805664 6595.54394531 1399.99694824 599.598022461 599.598022461 60.763999939 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 {} 7.95451 0.01578 0.02254 ++ {0.0} {} {} 4.78563 0.14867 0.02795 ++ {0.0} {} {} 130.72313 0.27226 0.05118 ++ {0.0} {} 0.304621696472 0.0784 0 {} 0 0 0 1 {} 7.93620 0.01578 0.02254 ++ {0.0} {} {} 4.78620 0.15056 0.02885 ++ {0.0} {} {} 130.68852 0.30808 0.05903 ++ {0.0} {} 0.289082825184 0.0785 0 {} 0 0 0 2 {} 8.00997 0.02036 0.01691 ++ {0.0} {} {} 2.38175 0.15096 0.11946 ++ {0.0} {} {} 130.22231 0.49788 0.39397 ++ {0.0} {} 1.22868537903 0.1175 0 {} 0 0 0 3 {} 8.08492 0.02520 0.01606 ++ {0.0} {} {} 2.37415 0.15403 0.08625 ++ {0.0} {} {} 127.78493 0.66834 0.37413 ++ {0.0} {} 0.792927503586 0.0986 0 {} 0 0 0 4 {} 7.90776 0.02630 0.03757 ++ {0.0} {} {} 3.17699 0.13622 0.09648 ++ {0.0} {} {} 127.32433 0.53271 0.37729 ++ {0.0} {} 1.93758320808 0.1099 0 {} 0 0 0 5 {} 7.77290 0.05132 0.01986 ++ {0.0} {} {} 3.13530 0.14517 0.04492 ++ {0.0} {} {} 127.37081 0.61227 0.18947 ++ {0.0} {} 0.292811870575 0.0840 0 {} 0 0 0 6 {} 8.03778 0.02729 0.05586 ++ {0.0} {} {} 4.36630 0.14649 0.31977 ++ {0.0} {} {} 127.23595 0.49282 1.40146 ++ {0.0} {} 32.0991134644 1.6516 0 {} 0 0 0 7 {} 8.03887 0.02899 0.06212 ++ {0.0} {} {} 3.17250 0.16932 0.32008 ++ {0.0} {} {} 127.25900 0.47004 1.52254 ++ {0.0} {} 126.964637756 6.5008 0 {} 0 0 0 8 {} 8.03096 0.02472 0.03305 ++ {0.0} {} {} 2.26762 0.14026 0.21533 ++ {0.0} {} {} 127.01383 0.58961 0.84650 ++ {0.0} {} 4.06875181198 0.2329 0 {} 0 0 0 9 {} 8.03881 0.02881 0.05930 ++ {0.0} {} {} 1.61601 0.09594 0.30153 ++ {0.0} {} {} 127.25871 0.46977 1.45523 ++ {0.0} {} 92.2759933472 3.3197 0 {} 0 0 0 10 {} 7.97658 0.02947 0.02188 ++ {0.0} {} {} 2.29683 0.16530 0.10926 ++ {0.0} {} {} 125.78166 0.45871 0.30321 ++ {0.0} {} 1.37182855606 0.1060 0 {} 0 0 0 11 {} 7.94572 0.02961 0.04786 ++ {0.0} {} {} 3.98109 0.12175 0.25353 ++ {0.0} {} {} 124.59679 0.60915 1.18429 ++ {0.0} {} 9.3287563324 0.5094 0 {} 0 0 0 12 {} 7.84902 0.03556 0.03555 ++ {0.0} {} {} 3.95324 0.11980 0.11975 ++ {0.0} {} {} 124.57016 0.66274 0.66246 ++ {0.0} {} 2.39006924629 0.1419 0 {} 0 0 0 13 {} 8.15921 0.02998 0.04521 ++ {0.0} {} {} 4.51382 0.11546 0.17806 ++ {0.0} {} {} 123.95930 0.42635 0.65754 ++ {0.0} {} 4.20282936096 0.3102 0 {} 0 0 0 14 {} 8.15837 0.04035 0.15309 ++ {0.0} {} {} 2.98747 0.18052 0.30873 ++ {0.0} {} {} 123.89171 0.72683 1.55846 ++ {0.0} {} 113.374061584 2.5485 0 {} 0 0 0 15 {} 8.39531 0.05408 0.13428 ++ {0.0} {} {} 2.98825 0.18449 0.30067 ++ {0.0} {} {} 123.48276 0.72504 1.33971 ++ {0.0} {} 71.9408721924 0.8643 0 {} 0 0 0 16 {} 8.39829 0.03740 0.11950 ++ {0.0} {} {} 1.67483 0.15807 0.22582 ++ {0.0} {} {} 123.53175 0.57189 1.30351 ++ {0.0} {} 38.9294204712 1.2989 0 {} 0 0 0 17 {} 8.39849 0.03703 0.08620 ++ {0.0} {} {} 1.33527 0.13162 0.18803 ++ {0.0} {} {} 123.53178 0.57987 1.21579 ++ {0.0} {} 15.3160209656 0.6056 0 {} 0 0 0 18 {} 8.42350 0.03656 0.09698 ++ {0.0} {} {} 4.16218 0.12631 0.32332 ++ {0.0} {} {} 123.10930 0.68891 1.35334 ++ {0.0} {} 40.3437042236 1.2932 0 {} 0 0 0 19 {} 8.36297 0.04193 0.13371 ++ {0.0} {} {} 3.07894 0.26580 0.37972 ++ {0.0} {} {} 123.22820 0.52714 1.29871 ++ {0.0} {} 77.8501281738 1.1094 0 {} 0 0 0 20 {} 8.42403 0.03453 0.11907 ++ {0.0} {} {} 2.11734 0.15027 0.32900 ++ {0.0} {} {} 123.09813 0.64125 1.37416 ++ {0.0} {} 63.0751113892 3.0055 0 {} 0 0 0 21 {} 8.42336 0.03439 0.12656 ++ {0.0} {} {} 0.92834 0.14568 0.32884 ++ {0.0} {} {} 123.10103 0.64917 1.36774 ++ {0.0} {} 65.5842285156 3.1563 0 {} 0 0 0 22 {} 8.14945 0.03305 0.09369 ++ {0.0} {} {} 4.25602 0.13072 0.32374 ++ {0.0} {} {} 122.70869 0.56494 1.35316 ++ {0.0} {} 42.0021324158 2.1908 0 {} 0 0 0 23 {} 8.58760 0.04533 0.01631 ++ {0.0} {} {} 2.37502 0.14293 0.04398 ++ {0.0} {} {} 122.67578 0.55593 0.17107 ++ {0.0} {} 0.234778732061 0.0839 0 {} 0 0 0 24 {} 8.14930 0.03304 0.11952 ++ {0.0} {} {} 2.24247 0.12560 0.31089 ++ {0.0} {} {} 122.70426 0.55447 1.42718 ++ {0.0} {} 124.438026428 5.1908 0 {} 0 0 0 25 {} 8.13175 0.04469 0.09949 ++ {0.0} {} {} 4.61449 0.15525 0.33269 ++ {0.0} {} {} 122.17052 0.83091 2.06317 ++ {0.0} {} 217.148605347 6.2895 0 {} 0 0 0 26 {} 8.70289 0.04038 0.07254 ++ {0.0} {} {} 4.26466 0.14806 0.26667 ++ {0.0} {} {} 122.08146 0.58105 1.06639 ++ {0.0} {} 8.57230377197 0.3791 0 {} 0 0 0 27 {} 7.97214 0.03854 0.06402 ++ {0.0} {} {} 4.09231 0.15211 0.27822 ++ {0.0} {} {} 122.04649 0.63300 1.24856 ++ {0.0} {} 10.9297332764 0.4107 0 {} 0 0 0 28 {} 8.70311 0.04099 0.12985 ++ {0.0} {} {} 3.21612 0.12164 0.31816 ++ {0.0} {} {} 122.07101 0.61063 1.31272 ++ {0.0} {} 39.4444885254 1.4685 0 {} 0 0 0 29 {} 8.08970 0.03570 0.07603 ++ {0.0} {} {} 3.11627 0.14677 0.32789 ++ {0.0} {} {} 122.12098 0.51828 1.15763 ++ {0.0} {} 20.6304569244 0.6785 0 {} 0 0 0 30 {} 8.13223 0.03036 0.08359 ++ {0.0} {} {} 2.63679 0.22472 0.32103 ++ {0.0} {} {} 122.19952 0.80743 1.98882 ++ {0.0} {} 190.920318604 3.5140 0 {} 0 0 0 31 {} 7.97273 0.03904 0.08944 ++ {0.0} {} {} 2.39600 0.14752 0.32121 ++ {0.0} {} {} 122.03669 0.64380 1.27135 ++ {0.0} {} 23.3517570496 0.8133 0 {} 0 0 0 32 {} 8.24797 0.04383 0.04607 ++ {0.0} {} {} 2.24325 0.11242 0.11934 ++ {0.0} {} {} 121.94028 0.49579 0.52633 ++ {0.0} {} 3.19568228722 0.1513 0 {} 0 0 0 33 {} 8.01239 0.03194 0.01187 ++ {0.0} {} {} 2.02602 0.14878 0.02300 ++ {0.0} {} {} 122.04838 0.83316 0.13141 ++ {0.0} {} 0.217101305723 0.0769 0 {} 0 0 0 34 {} 8.70299 0.04101 0.10331 ++ {0.0} {} {} 1.67616 0.13506 0.42447 ++ {0.0} {} {} 122.07345 0.61275 1.24690 ++ {0.0} {} 33.8464508057 0.7581 0 {} 0 0 0 35 {} 8.53855 0.03712 0.07306 ++ {0.0} {} {} 4.25994 0.14314 0.29645 ++ {0.0} {} {} 121.51537 0.46669 0.90999 ++ {0.0} {} 14.9513902664 0.5763 0 {} 0 0 0 36 {} 8.53893 0.03561 0.07838 ++ {0.0} {} {} 2.42926 0.11916 0.37451 ++ {0.0} {} {} 121.51462 0.44470 0.85669 ++ {0.0} {} 33.6249771118 0.7448 0 {} 0 0 0 37 {} 8.06926 0.02971 0.05426 ++ {0.0} {} {} 2.26848 0.13495 0.29727 ++ {0.0} {} {} 121.58662 0.52395 1.18224 ++ {0.0} {} 11.807466507 0.4754 0 {} 0 0 0 38 {} 8.33784 0.03361 0.06439 ++ {0.0} {} {} 4.04197 0.12149 0.25950 ++ {0.0} {} {} 121.31774 0.64454 1.25618 ++ {0.0} {} 19.6956634521 0.5478 0 {} 0 0 0 39 {} 8.33821 0.03518 0.09202 ++ {0.0} {} {} 2.47946 0.20736 0.29624 ++ {0.0} {} {} 121.31477 0.65297 1.30994 ++ {0.0} {} 39.4122238159 1.1417 0 {} 0 0 0 40 {} 8.23777 0.06314 0.05675 ++ {0.0} {} {} 1.15797 0.12356 0.11079 ++ {0.0} {} {} 121.46053 0.48222 0.43238 ++ {0.0} {} 3.08534502983 0.1287 0 {} 0 0 0 41 {} 8.06498 0.04734 0.11096 ++ {0.0} {} {} 4.67923 0.12235 0.30249 ++ {0.0} {} {} 120.78982 0.46055 1.23312 ++ {0.0} {} 56.8222999573 0.9828 0 {} 0 0 0 42 {} 7.99489 0.03529 0.12794 ++ {0.0} {} {} 4.10434 0.21023 0.30034 ++ {0.0} {} {} 120.82146 0.47343 1.46359 ++ {0.0} {} 47.1766700745 1.1636 0 {} 0 0 0 43 {} 8.14386 0.03418 0.07314 ++ {0.0} {} {} 4.00828 0.16147 0.31980 ++ {0.0} {} {} 121.03372 0.62206 1.37802 ++ {0.0} {} 29.0766944885 0.7640 0 {} 0 0 0 44 {} 8.36871 0.03168 0.06354 ++ {0.0} {} {} 3.51677 0.14145 0.31155 ++ {0.0} {} {} 120.99426 0.61034 1.24286 ++ {0.0} {} 15.1164484024 0.6414 0 {} 0 0 0 45 {} 8.21086 0.03301 0.05231 ++ {0.0} {} {} 3.45352 0.12005 0.20609 ++ {0.0} {} {} 120.87934 0.51982 0.92057 ++ {0.0} {} 9.39352035522 0.3720 0 {} 0 0 0 46 {} 8.36899 0.03265 0.07161 ++ {0.0} {} {} 3.06662 0.17211 0.31483 ++ {0.0} {} {} 120.98354 0.68838 1.26994 ++ {0.0} {} 19.1906147003 0.6767 0 {} 0 0 0 47 {} 8.21036 0.03318 0.06124 ++ {0.0} {} {} 3.00366 0.13088 0.25716 ++ {0.0} {} {} 120.88412 0.53368 1.02572 ++ {0.0} {} 9.24070262909 0.4221 0 {} 0 0 0 48 {} 8.14428 0.03275 0.09620 ++ {0.0} {} {} 2.37270 0.16958 0.33462 ++ {0.0} {} {} 120.99435 0.61405 1.34575 ++ {0.0} {} 79.4806976318 2.0342 0 {} 0 0 0 49 {} 8.63491 0.03773 0.05145 ++ {0.0} {} {} 4.18062 0.15236 0.22392 ++ {0.0} {} {} 120.70045 0.49862 0.69689 ++ {0.0} {} 4.81536197662 0.2357 0 {} 0 0 0 50 {} 8.07418 0.03337 0.09564 ++ {0.0} {} {} 4.05460 0.11213 0.21976 ++ {0.0} {} {} 120.63839 0.68977 1.44565 ++ {0.0} {} 22.5319957733 0.5624 0 {} 0 0 0 51 {} 8.63662 0.03865 0.03816 ++ {0.0} {} {} 3.74322 0.18103 0.17836 ++ {0.0} {} {} 120.71280 0.48837 0.48117 ++ {0.0} {} 2.64357638359 0.1399 0 {} 0 0 0 52 {} 8.31859 0.03167 0.07465 ++ {0.0} {} {} 3.12962 0.09028 0.34507 ++ {0.0} {} {} 120.59888 0.64801 1.20145 ++ {0.0} {} 23.0618724823 0.5429 0 {} 0 0 0 53 {} 7.95921 0.03711 0.03036 ++ {0.0} {} {} 3.06171 0.17477 0.13198 ++ {0.0} {} {} 120.76215 0.47023 0.35511 ++ {0.0} {} 1.94780540466 0.1141 0 {} 0 0 0 54 {} 8.07344 0.03797 0.17284 ++ {0.0} {} {} 2.71943 0.18928 0.31928 ++ {0.0} {} {} 120.65399 0.61112 1.47699 ++ {0.0} {} 88.4021911621 1.4252 0 {} 0 0 0 55 {} 8.63607 0.04114 0.06477 ++ {0.0} {} {} 2.02375 0.25447 0.36353 ++ {0.0} {} {} 120.70938 0.49778 0.75942 ++ {0.0} {} 11.0395002365 0.2993 0 {} 0 0 0 56 {} 8.32324 0.02630 0.03757 ++ {0.0} {} {} 1.69024 0.19851 0.28359 ++ {0.0} {} {} 120.50519 0.52981 1.25030 ++ {0.0} {} 29.7194747925 0.7748 0 {} 0 0 0 57 {} 8.27975 0.03244 0.15988 ++ {0.0} {} {} 1.63372 0.15934 0.22763 ++ {0.0} {} {} 120.55645 0.62190 1.41885 ++ {0.0} {} 99.7260742187 2.8818 0 {} 0 0 0 58 {} 8.27994 0.03145 0.08670 ++ {0.0} {} {} 0.89524 0.13283 0.34018 ++ {0.0} {} {} 120.55212 0.60247 1.44475 ++ {0.0} {} 66.2352600098 2.9601 0 {} 0 0 0 59 {} 7.88538 0.03024 0.06014 ++ {0.0} {} {} 4.60696 0.14527 0.29559 ++ {0.0} {} {} 120.08682 0.48541 1.07500 ++ {0.0} {} 14.9126911163 0.6299 0 {} 0 0 0 60 {} 8.17997 0.03343 0.10453 ++ {0.0} {} {} 4.56757 0.11214 0.33662 ++ {0.0} {} {} 120.21763 0.62804 1.36269 ++ {0.0} {} 84.1082687378 3.4716 0 {} 0 0 0 61 {} 8.28527 0.03455 0.10023 ++ {0.0} {} {} 4.26115 0.16746 0.30846 ++ {0.0} {} {} 120.33636 0.58961 1.54116 ++ {0.0} {} 81.144241333 2.9815 0 {} 0 0 0 62 {} 8.39785 0.03498 0.08810 ++ {0.0} {} {} 4.01507 0.16424 0.32149 ++ {0.0} {} {} 120.19329 0.57107 1.20931 ++ {0.0} {} 18.8922328949 0.7205 0 {} 0 0 0 63 {} 8.17961 0.03357 0.09759 ++ {0.0} {} {} 2.66005 0.13112 0.32671 ++ {0.0} {} {} 120.21793 0.62796 1.36719 ++ {0.0} {} 80.0286254883 3.4442 0 {} 0 0 0 64 {} 7.88574 0.03090 0.04887 ++ {0.0} {} {} 2.63619 0.23965 0.33733 ++ {0.0} {} {} 120.09840 0.49423 0.76568 ++ {0.0} {} 9.17974185944 0.3150 0 {} 0 0 0 65 {} 8.39885 0.02995 0.08067 ++ {0.0} {} {} 2.48854 0.26521 0.37888 ++ {0.0} {} {} 120.20152 0.58535 1.27077 ++ {0.0} {} 32.2832794189 0.9520 0 {} 0 0 0 66 {} 8.28807 0.03485 0.13056 ++ {0.0} {} {} 2.28009 0.13148 0.33045 ++ {0.0} {} {} 120.23860 0.64677 1.38122 ++ {0.0} {} 117.165786743 5.2294 0 {} 0 0 0 67 {} 8.39621 0.04675 0.07855 ++ {0.0} {} {} 4.40827 0.11124 0.17994 ++ {0.0} {} {} 119.97855 0.52496 0.95574 ++ {0.0} {} 11.0683717728 0.3712 0 {} 0 0 0 68 {} 8.39809 0.04655 0.06746 ++ {0.0} {} {} 3.67493 0.13413 0.37734 ++ {0.0} {} {} 119.99730 0.49855 0.72141 ++ {0.0} {} 12.5423812866 0.2568 0 {} 0 0 0 69 {} 8.39829 0.04806 0.11752 ++ {0.0} {} {} 1.95880 0.20285 0.29870 ++ {0.0} {} {} 119.99974 0.48703 1.04632 ++ {0.0} {} 30.6451683044 0.6102 0 {} 0 0 0 70 {} 8.06224 0.05660 0.14816 ++ {0.0} {} {} 3.93965 0.15883 0.32385 ++ {0.0} {} {} 119.38099 0.48110 1.17442 ++ {0.0} {} 51.7427368164 0.8070 0 {} 0 0 0 71 {} 8.38303 0.03290 0.09889 ++ {0.0} {} {} 3.34710 0.13500 0.32669 ++ {0.0} {} {} 119.65890 0.48285 1.34786 ++ {0.0} {} 46.2883872986 1.8014 0 {} 0 0 0 72 {} 8.55003 0.04099 0.07505 ++ {0.0} {} {} 4.17765 0.14105 0.26244 ++ {0.0} {} {} 119.26459 0.49350 0.86065 ++ {0.0} {} 8.76928901672 0.4010 0 {} 0 0 0 73 {} 7.76652 0.03890 0.07228 ++ {0.0} {} {} 4.01608 0.10520 0.32390 ++ {0.0} {} {} 119.21315 0.63796 1.14259 ++ {0.0} {} 12.9073696136 0.3366 0 {} 0 0 0 74 {} 7.91807 0.03508 0.08918 ++ {0.0} {} {} 3.93355 0.17335 0.29108 ++ {0.0} {} {} 119.22778 0.56061 1.28014 ++ {0.0} {} 26.0520000458 0.8294 0 {} 0 0 0 75 {} 7.88736 0.03090 0.08266 ++ {0.0} {} {} 3.23055 0.14299 0.32223 ++ {0.0} {} {} 119.20713 0.58668 1.32369 ++ {0.0} {} 33.8360748291 1.4899 0 {} 0 0 0 76 {} 7.76674 0.03465 0.07872 ++ {0.0} {} {} 3.14275 0.16055 0.33607 ++ {0.0} {} {} 119.23074 0.53674 1.23076 ++ {0.0} {} 21.1716079712 0.7626 0 {} 0 0 0 77 {} 8.55033 0.04263 0.11399 ++ {0.0} {} {} 2.42043 0.12402 0.29820 ++ {0.0} {} {} 119.26179 0.50410 1.25938 ++ {0.0} {} 33.5808029175 0.9644 0 {} 0 0 0 78 {} 8.20485 0.03752 0.08879 ++ {0.0} {} {} 2.34140 0.12510 0.39318 ++ {0.0} {} {} 119.10117 0.54615 1.24082 ++ {0.0} {} 34.5009727478 0.6624 0 {} 0 0 0 79 {} 7.76653 0.03670 0.08463 ++ {0.0} {} {} 1.86006 0.19851 0.28359 ++ {0.0} {} {} 119.21761 0.55844 1.20618 ++ {0.0} {} 25.3050556183 0.6448 0 {} 0 0 0 80 {} 7.91801 0.04054 0.09821 ++ {0.0} {} {} 1.78021 0.13892 0.43661 ++ {0.0} {} {} 119.18053 0.65898 1.34473 ++ {0.0} {} 92.6996078491 1.5452 0 {} 0 0 0 81 {} 8.36148 0.04053 0.05745 ++ {0.0} {} {} 1.40947 0.12074 0.18109 ++ {0.0} {} {} 119.20208 0.64086 1.06572 ++ {0.0} {} 6.98216915131 0.2839 0 {} 0 0 0 82 {} 7.91943 0.03345 0.08722 ++ {0.0} {} {} 0.92728 0.15286 0.32006 ++ {0.0} {} {} 119.15661 0.63654 1.29541 ++ {0.0} {} 23.6231708527 1.2542 0 {} 0 0 0 83 {} 7.94859 0.02934 0.02229 ++ {0.0} {} {} 4.65619 0.11433 0.08207 ++ {0.0} {} {} 118.92525 0.49842 0.35779 ++ {0.0} {} 1.4159090519 0.1107 0 {} 0 0 0 84 {} 8.21641 0.03948 0.18227 ++ {0.0} {} {} 4.06075 0.11818 0.35896 ++ {0.0} {} {} 118.80428 0.65734 1.39749 ++ {0.0} {} 322.747619629 10.2152 0 {} 0 0 0 85 {} 7.80877 0.05295 0.10992 ++ {0.0} {} {} 4.06178 0.12787 0.12261 ++ {0.0} {} {} 118.86299 0.63400 0.60790 ++ {0.0} {} 8.8193025589 0.1364 0 {} 0 0 0 86 {} 7.94832 0.03108 0.06645 ++ {0.0} {} {} 3.22474 0.19851 0.28359 ++ {0.0} {} {} 118.93401 0.47937 1.02610 ++ {0.0} {} 25.6768894196 0.6326 0 {} 0 0 0 87 {} 8.19823 0.03925 0.03926 ++ {0.0} {} {} 2.92346 0.11257 0.11258 ++ {0.0} {} {} 118.73976 0.54268 0.54274 ++ {0.0} {} 2.60270452499 0.1420 0 {} 0 0 0 88 {} 7.50499 0.03553 0.05753 ++ {0.0} {} {} 4.34222 0.13383 0.24538 ++ {0.0} {} {} 118.27263 0.45765 0.73167 ++ {0.0} {} 8.43260955811 0.3539 0 {} 0 0 0 89 {} 8.23218 0.03698 0.00721 ++ {0.0} {} {} 10.22230 0.10793 0.01135 ++ {0.0} {} {} 118.11375 0.57201 0.06014 ++ {0.0} {} 0.14528042078 0.0749 0 {} 0 0 0 90 {} 8.01776 0.03142 0.04650 ++ {0.0} {} {} 3.84613 0.16817 0.25524 ++ {0.0} {} {} 118.20889 0.49859 0.74951 ++ {0.0} {} 6.01385831833 0.2859 0 {} 0 0 0 91 {} 7.50571 0.03463 0.09522 ++ {0.0} {} {} 3.25208 0.13725 0.31542 ++ {0.0} {} {} 118.25598 0.47076 1.33565 ++ {0.0} {} 35.0537834167 1.4192 0 {} 0 0 0 92 {} 8.01748 0.02877 0.04753 ++ {0.0} {} {} 2.98816 0.15800 0.25549 ++ {0.0} {} {} 118.17009 0.53219 0.88083 ++ {0.0} {} 5.79514217377 0.3163 0 {} 0 0 0 93 {} 8.01750 0.03179 0.05653 ++ {0.0} {} {} 1.76510 0.12564 0.39486 ++ {0.0} {} {} 118.18781 0.51822 0.95933 ++ {0.0} {} 14.8436145782 0.3966 0 {} 0 0 0 94 {} 7.50567 0.03494 0.06953 ++ {0.0} {} {} 1.78823 0.21095 0.34569 ++ {0.0} {} {} 118.25848 0.46656 0.95712 ++ {0.0} {} 20.7459964752 0.6163 0 {} 0 0 0 95 {} 8.23088 0.03865 0.09945 ++ {0.0} {} {} 1.45265 0.13257 0.31616 ++ {0.0} {} {} 118.12418 0.58537 1.29135 ++ {0.0} {} 30.663476944 1.0572 0 {} 0 0 0 96 {} 8.76124 0.02766 0.01157 ++ {0.0} {} {} 4.24823 0.12454 0.04161 ++ {0.0} {} {} 117.77471 0.58739 0.19625 ++ {0.0} {} 0.299911350012 0.0852 0 {} 0 0 0 97 {} 7.92329 0.03224 0.06630 ++ {0.0} {} {} 4.15446 0.11793 0.28360 ++ {0.0} {} {} 117.56007 0.45625 0.96778 ++ {0.0} {} 19.3675823212 0.7922 0 {} 0 0 0 98 {} 8.27365 0.02992 0.05605 ++ {0.0} {} {} 4.02299 0.15040 0.28239 ++ {0.0} {} {} 117.74890 0.58253 1.16300 ++ {0.0} {} 12.6215496063 0.4543 0 {} 0 0 0 99 {} 8.76206 0.03375 0.07393 ++ {0.0} {} {} 3.50418 0.16828 0.29799 ++ {0.0} {} {} 117.77155 0.57730 1.19755 ++ {0.0} {} 11.9458427429 0.5505 0 {} 0 0 0 100 {} 8.27328 0.03154 0.07035 ++ {0.0} {} {} 3.25538 0.15161 0.31712 ++ {0.0} {} {} 117.76293 0.58461 1.26674 ++ {0.0} {} 18.981924057 0.9608 0 {} 0 0 0 101 {} 8.76210 0.03427 0.07291 ++ {0.0} {} {} 3.14391 0.14540 0.29098 ++ {0.0} {} {} 117.77007 0.57797 1.17840 ++ {0.0} {} 11.1887769699 0.5219 0 {} 0 0 0 102 {} 7.92303 0.03216 0.09901 ++ {0.0} {} {} 2.55146 0.16901 0.32917 ++ {0.0} {} {} 117.56577 0.45329 1.16448 ++ {0.0} {} 45.7311210632 1.9844 0 {} 0 0 0 103 {} 8.27361 0.02906 0.05175 ++ {0.0} {} {} 2.01744 0.27791 0.39701 ++ {0.0} {} {} 117.76600 0.57103 1.13142 ++ {0.0} {} 16.1153373718 0.4720 0 {} 0 0 0 104 {} 7.67202 0.03406 0.06531 ++ {0.0} {} {} 4.67244 0.12204 0.24515 ++ {0.0} {} {} 116.99755 0.64333 1.15461 ++ {0.0} {} 9.9111700058 0.4627 0 {} 0 0 0 105 {} 7.67230 0.03500 0.08216 ++ {0.0} {} {} 3.17116 0.15315 0.31993 ++ {0.0} {} {} 116.99834 0.64472 1.26746 ++ {0.0} {} 20.4659919739 0.8801 0 {} 0 0 0 106 {} 8.51377 0.06012 0.07773 ++ {0.0} {} {} 4.42640 0.12952 0.17185 ++ {0.0} {} {} 116.07138 0.45238 0.60023 ++ {0.0} {} 6.65126132965 0.2109 0 {} 0 0 0 107 {} 8.51256 0.05738 0.07083 ++ {0.0} {} {} 3.74841 0.22164 0.26154 ++ {0.0} {} {} 116.05961 0.45718 0.57192 ++ {0.0} {} 6.89280509949 0.1896 0 {} 0 0 0 108 {} 8.51148 0.05947 0.05836 ++ {0.0} {} {} 2.29102 0.07313 0.15635 ++ {0.0} {} {} 116.03951 0.48353 0.46990 ++ {0.0} {} 3.53977227211 0.1381 0 {} 0 0 0 109 {} 8.51402 0.06162 0.11072 ++ {0.0} {} {} 1.98314 0.14717 0.29640 ++ {0.0} {} {} 116.04696 0.48832 0.84962 ++ {0.0} {} 20.5084228516 0.4094 0 {} 0 0 0 110 {} 8.24217 0.04117 0.01591 ++ {0.0} {} {} 4.51470 0.12808 0.03928 ++ {0.0} {} {} 115.59000 0.61876 0.18975 ++ {0.0} {} 0.313048660755 0.0839 0 {} 0 0 0 111 {} 8.11939 0.07260 0.13993 ++ {0.0} {} {} 4.49029 0.10618 0.17975 ++ {0.0} {} {} 115.16294 0.61739 1.17037 ++ {0.0} {} 23.5561103821 0.4624 0 {} 0 0 0 112 {} 8.11440 0.06117 0.07316 ++ {0.0} {} {} 3.89743 0.11467 0.13460 ++ {0.0} {} {} 115.13796 0.55182 0.64773 ++ {0.0} {} 4.89737939835 0.1719 0 {} 0 0 0 113 {} 7.91879 0.03457 0.01434 ++ {0.0} {} {} 2.06353 0.14482 0.03820 ++ {0.0} {} {} 115.12907 0.52131 0.13750 ++ {0.0} {} 0.432384073734 0.0818 0 {} 0 0 0 114 {} 7.41266 0.03611 0.07405 ++ {0.0} {} {} 4.04684 0.11654 0.26607 ++ {0.0} {} {} 114.89527 0.55580 1.22459 ++ {0.0} {} 17.2620639801 0.7355 0 {} 0 0 0 115 {} 7.41310 0.03507 0.08463 ++ {0.0} {} {} 2.47004 0.21639 0.30912 ++ {0.0} {} {} 114.88963 0.57216 1.31262 ++ {0.0} {} 35.6831054687 1.3675 0 {} 0 0 0 116 {} 8.36193 0.04277 0.00649 ++ {0.0} {} {} 2.07141 0.12527 0.01393 ++ {0.0} {} {} 114.72578 0.49677 0.05523 ++ {0.0} {} 0.144752115011 0.0752 0 {} 0 0 0 117 {} 8.04681 0.03328 0.04178 ++ {0.0} {} {} 4.34011 0.13775 0.18558 ++ {0.0} {} {} 114.10708 0.68565 0.93437 ++ {0.0} {} 4.04314565659 0.2175 0 {} 0 0 0 118 {} 8.04740 0.03293 0.04337 ++ {0.0} {} {} 1.84611 0.13570 0.18734 ++ {0.0} {} {} 114.10997 0.65466 0.92524 ++ {0.0} {} 4.17049837112 0.2292 0 {} 0 0 0 119 {} 8.04683 0.03338 0.06252 ++ {0.0} {} {} 1.43976 0.17077 0.29247 ++ {0.0} {} {} 114.10925 0.65672 1.16399 ++ {0.0} {} 9.54816436768 0.4469 0 {} 0 0 0 120 {} 8.04707 0.03178 0.04533 ++ {0.0} {} {} 0.81876 0.13917 0.23108 ++ {0.0} {} {} 114.11613 0.69151 1.06054 ++ {0.0} {} 5.09695959091 0.2842 0 {} 0 0 0 121 {} 8.04748 0.03238 0.04674 ++ {0.0} {} {} 0.44753 0.11188 0.16953 ++ {0.0} {} {} 114.12913 0.65139 1.02221 ++ {0.0} {} 5.33124494553 0.2929 0 {} 0 0 0 122 {} 7.54993 0.02686 0.02887 ++ {0.0} {} {} 2.70263 0.18036 0.19819 ++ {0.0} {} {} 112.30582 0.93179 0.99272 ++ {0.0} {} 3.13741660118 0.1559 0 {} 0 0 0 123 {} 7.49928 0.03122 0.04337 ++ {0.0} {} {} 4.26443 0.18750 0.25540 ++ {0.0} {} {} 111.88847 1.19253 1.48710 ++ {0.0} {} 9.09034252167 0.2194 0 {} 0 0 0 124 {} 7.64493 0.02147 0.01568 ++ {0.0} {} {} 4.09100 0.14911 0.09730 ++ {0.0} {} {} 112.01902 0.88385 0.58139 ++ {0.0} {} 0.976899981499 0.1054 0 {} 0 0 0 125 {} 7.64618 0.02072 0.02120 ++ {0.0} {} {} 2.55224 0.17714 0.18135 ++ {0.0} {} {} 112.02232 0.84278 0.86317 ++ {0.0} {} 2.18870544434 0.1455 0 {} 0 0 0 126 {} 6.89248 0.03253 0.04381 ++ {0.0} {} {} 2.55634 0.36094 0.51562 ++ {0.0} {} {} 111.81496 1.03608 1.52068 ++ {0.0} {} 20.6281433105 0.2456 0 {} 0 0 0 127 {} 7.36404 0.02690 0.02039 ++ {0.0} {} {} 2.37016 0.14667 0.09844 ++ {0.0} {} {} 111.91811 0.99148 0.73203 ++ {0.0} {} 1.34215128422 0.1069 0 {} 0 0 0 128 {} 6.85230 0.02897 0.03236 ++ {0.0} {} {} 4.27882 0.16075 0.18558 ++ {0.0} {} {} 111.68176 0.81483 0.94229 ++ {0.0} {} 4.4354596138 0.1679 0 {} 0 0 0 129 {} 6.89140 0.04381 0.04991 ++ {0.0} {} {} 4.12910 0.16886 0.21776 ++ {0.0} {} {} 111.71142 0.85318 1.06477 ++ {0.0} {} 9.87472057343 0.1814 0 {} 0 0 0 130 {} 7.48084 0.02650 0.02983 ++ {0.0} {} {} 2.54076 0.16410 0.19180 ++ {0.0} {} {} 111.52006 1.10063 1.24956 ++ {0.0} {} 4.41195774078 0.1699 0 {} 0 0 0 131 {} 7.49973 0.02847 0.03754 ++ {0.0} {} {} 2.30964 0.17963 0.24514 ++ {0.0} {} {} 111.77586 0.70691 0.98010 ++ {0.0} {} 8.86449432373 0.2081 0 {} 0 0 0 132 {} 6.85213 0.02824 0.03588 ++ {0.0} {} {} 2.29711 0.16799 0.22068 ++ {0.0} {} {} 111.66188 0.82552 1.07352 ++ {0.0} {} 5.01732110977 0.2022 0 {} 0 0 0 133 {} 8.40800 0.04242 0.08561 ++ {0.0} {} {} 4.28375 0.14385 0.29174 ++ {0.0} {} {} 110.43626 0.52352 1.13116 ++ {0.0} {} 15.2089653015 0.5630 0 {} 0 0 0 134 {} 8.40810 0.04250 0.15376 ++ {0.0} {} {} 2.30151 0.15535 0.32354 ++ {0.0} {} {} 110.43623 0.51038 1.30210 ++ {0.0} {} 52.934589386 1.9348 0 {} 0 0 0 135 {} 7.16045 0.02574 0.00680 ++ {0.0} {} {} 4.01522 0.16683 0.04294 ++ {0.0} {} {} 110.06499 0.82783 0.21176 ++ {0.0} {} 0.292771458626 0.0815 0 {} 0 0 0 136 {} 7.16086 0.02180 0.00046 ++ {0.0} {} {} 2.49045 0.27453 0.00730 ++ {0.0} {} {} 109.98529 0.74315 0.01471 ++ {0.0} {} 0.142958700657 0.0717 0 {} 0 0 0 137 {} 6.83188 0.02672 0.00753 ++ {0.0} {} {} 4.01975 0.15934 0.03832 ++ {0.0} {} {} 109.87970 0.69672 0.16754 ++ {0.0} {} 0.15200278163 0.0807 0 {} 0 0 0 138 {} 8.30530 0.03534 0.01979 ++ {0.0} {} {} 4.01332 0.16850 0.09188 ++ {0.0} {} {} 108.92081 0.58448 0.31921 ++ {0.0} {} 1.32571673393 0.0977 0 {} 0 0 0 139 {} 8.31059 0.02325 0.01756 ++ {0.0} {} {} 3.76892 0.14340 0.10074 ++ {0.0} {} {} 108.59280 0.51463 0.36154 ++ {0.0} {} 1.13446557522 0.1094 0 {} 0 0 0 140 {} 8.02301 0.03315 0.03201 ++ {0.0} {} {} 4.08783 0.14913 0.14439 ++ {0.0} {} {} 108.12841 0.52761 0.51082 ++ {0.0} {} 2.52187824249 0.1376 0 {} 0 0 0 141 {} 8.02467 0.05045 0.08535 ++ {0.0} {} {} 2.90792 0.14582 0.27044 ++ {0.0} {} {} 108.10870 0.51218 0.95370 ++ {0.0} {} 12.4114637375 0.4002 0 {} 0 0 0 142 {} 8.02996 0.03658 0.04498 ++ {0.0} {} {} 1.37422 0.13107 0.16863 ++ {0.0} {} {} 108.06256 0.53234 0.68489 ++ {0.0} {} 4.88217115402 0.1990 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 2 2 . . C 13 C-aliphatic . 'not observed' 9649.142 Hz . . . 46.153 . . 31014 2 3 . . N 15 HN . 'not observed' 1400.021 Hz . . . 119.161 . . 31014 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 31014 _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 4 _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 ; 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 text _Spectral_peak_list.Text_data ; label dataset sw sf 1H C13 cHSQC.nv 3600.66455078 10553.75 599.598022461 150.772994995 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 {} 4.79943 0.03381 0.02159 ++ {0.0} {} {} 62.60254 0.11406 0.06803 ++ {0.0} {} 4.10921096802 0.6005 0 {} 0 0 0 1 {} 4.67232 0.03872 0.07166 ++ {0.0} {} {} 56.20668 0.15360 0.24885 ++ {0.0} {} 47.4036636353 3.6285 0 {} 0 0 0 2 {} 4.67339 0.03565 0.07049 ++ {0.0} {} {} 53.06243 0.14991 0.25898 ++ {0.0} {} 60.4588890076 4.6431 0 {} 0 0 0 3 {} 4.66415 0.04569 0.05521 ++ {0.0} {} {} 55.59449 0.18959 0.22446 ++ {0.0} {} 19.5837554932 1.1838 0 {} 0 0 0 4 {} 4.64489 0.04622 0.05268 ++ {0.0} {} {} 60.18409 0.16813 0.19885 ++ {0.0} {} 16.8645706177 1.0197 0 {} 0 0 0 5 {} 4.61369 0.05062 0.10509 ++ {0.0} {} {} 54.30982 0.15402 0.27028 ++ {0.0} {} 268.368560791 11.0803 0 {} 0 0 0 6 {} 4.60142 0.04269 0.05072 ++ {0.0} {} {} 54.12754 0.01390 0.01723 ++ {0.0} {} -7.77674293518 -1.1087 0 {} 0 0 0 7 {} 4.60606 0.03336 0.06014 ++ {0.0} {} {} 53.94454 0.18373 0.27035 ++ {0.0} {} 82.6476974487 5.5973 0 {} 0 0 0 8 {} 4.59655 0.01333 0.00455 ++ {0.0} {} {} 56.12369 0.03961 0.01356 ++ {0.0} {} -0.50849878788 -0.5085 0 {} 0 0 0 9 {} 4.59537 0.03012 0.01217 ++ {0.0} {} {} 55.92222 0.09761 0.06792 ++ {0.0} {} -2.57371687889 -0.6463 0 {} 0 0 0 10 {} 4.58618 0.02435 0.00444 ++ {0.0} {} {} 54.78117 0.03770 0.00542 ++ {0.0} {} -0.903420627117 -0.4541 0 {} 0 0 0 11 {} 4.58261 0.04792 0.10302 ++ {0.0} {} {} 54.50369 0.27492 0.45614 ++ {0.0} {} 396.090484619 10.0856 0 {} 0 0 0 12 {} 4.57923 0.02847 0.00025 ++ {0.0} {} {} 62.58593 0.18363 0.00124 ++ {0.0} {} 0.422926694155 0.4229 0 {} 0 0 0 13 {} 4.57791 0.03533 0.08125 ++ {0.0} {} {} 56.34031 0.17988 0.38422 ++ {0.0} {} 148.387527466 7.3947 0 {} 0 0 0 14 {} 4.54024 0.04734 0.06763 ++ {0.0} {} {} 56.01237 0.16415 0.03272 ++ {0.0} {} -4.36730861664 -0.4688 0 {} 0 0 0 15 {} 4.54254 0.02744 0.01723 ++ {0.0} {} {} 54.28323 0.16725 0.05996 ++ {0.0} {} -2.53477144241 -0.4956 0 {} 0 0 0 16 {} 4.52857 0.03902 0.05813 ++ {0.0} {} {} 55.43386 0.14155 0.22022 ++ {0.0} {} 24.6349754333 1.6748 0 {} 0 0 0 17 {} 4.51805 0.03348 0.12138 ++ {0.0} {} {} 58.04524 0.15481 0.27510 ++ {0.0} {} 80.8430557251 4.3106 0 {} 0 0 0 18 {} 4.48633 0.03405 0.06968 ++ {0.0} {} {} 58.52723 0.16373 0.28328 ++ {0.0} {} 79.3563079834 5.7828 0 {} 0 0 0 19 {} 4.45774 0.03791 0.03091 ++ {0.0} {} {} 53.73056 0.14810 0.11293 ++ {0.0} {} 7.32684659958 0.6811 0 {} 0 0 0 20 {} 4.45079 0.05114 0.07251 ++ {0.0} {} {} 57.26972 0.14982 0.23026 ++ {0.0} {} 32.3853683472 1.4601 0 {} 0 0 0 21 {} 4.44411 0.04918 0.06116 ++ {0.0} {} {} 57.97902 0.19521 0.23404 ++ {0.0} {} 24.1059856415 1.1900 0 {} 0 0 0 22 {} 4.42842 0.02845 0.02686 ++ {0.0} {} {} 55.99070 0.17582 0.16326 ++ {0.0} {} -7.81830596924 -0.7683 0 {} 0 0 0 23 {} 4.42079 0.03749 0.02476 ++ {0.0} {} {} 55.64231 0.17648 0.05865 ++ {0.0} {} -4.50145864487 -0.5040 0 {} 0 0 0 24 {} 4.41281 0.02764 0.01361 ++ {0.0} {} {} 63.60638 0.03226 0.00991 ++ {0.0} {} -1.34858262539 -0.4979 0 {} 0 0 0 25 {} 4.41470 0.03520 0.08369 ++ {0.0} {} {} 63.38491 0.15790 0.22558 ++ {0.0} {} 123.200881958 6.3311 0 {} 0 0 0 26 {} 4.40615 0.03256 0.06836 ++ {0.0} {} {} 63.18806 0.07202 0.30784 ++ {0.0} {} 111.885612488 7.2287 0 {} 0 0 0 27 {} 4.37622 0.04476 0.06451 ++ {0.0} {} {} 60.86945 0.18082 0.24761 ++ {0.0} {} 28.9457530975 1.5020 0 {} 0 0 0 28 {} 4.37515 0.03226 0.06320 ++ {0.0} {} {} 56.01257 0.12357 0.24852 ++ {0.0} {} 136.987289429 10.3340 0 {} 0 0 0 29 {} 4.37592 0.04469 0.00648 ++ {0.0} {} {} 55.43975 0.06615 0.00605 ++ {0.0} {} -0.872879087925 -0.4417 0 {} 0 0 0 30 {} 4.37125 0.02942 0.04817 ++ {0.0} {} {} 55.85801 0.02043 0.03119 ++ {0.0} {} -8.42625999451 -1.7802 0 {} 0 0 0 31 {} 4.36447 0.03494 0.07433 ++ {0.0} {} {} 55.70781 0.10703 0.23302 ++ {0.0} {} 124.529678345 9.3357 0 {} 0 0 0 32 {} 4.34392 0.06587 0.06865 ++ {0.0} {} {} 58.18351 0.19937 0.20545 ++ {0.0} {} 20.3069801331 0.8832 0 {} 0 0 0 33 {} 4.32979 0.05666 0.08094 ++ {0.0} {} {} 56.34084 0.19013 0.31916 ++ {0.0} {} 62.7399787903 2.6224 0 {} 0 0 0 34 {} 4.32164 0.03554 0.02734 ++ {0.0} {} {} 62.15816 0.06187 0.04155 ++ {0.0} {} -2.63918614388 -0.6345 0 {} 0 0 0 35 {} 4.32037 0.03063 0.05801 ++ {0.0} {} {} 61.97168 0.10601 0.25006 ++ {0.0} {} 45.8029556274 4.0438 0 {} 0 0 0 36 {} 4.27293 0.04110 0.12775 ++ {0.0} {} {} 55.98059 0.18625 0.33920 ++ {0.0} {} 173.669418335 6.5517 0 {} 0 0 0 37 {} 4.27340 0.05143 0.04408 ++ {0.0} {} {} 45.01299 0.12907 0.10457 ++ {0.0} {} -8.85399627686 -0.7084 0 {} 0 0 0 38 {} 4.26468 0.04502 0.10000 ++ {0.0} {} {} 55.56189 0.12464 0.25975 ++ {0.0} {} 121.512168884 5.9990 0 {} 0 0 0 39 {} 4.24991 0.03676 0.08128 ++ {0.0} {} {} 57.08220 0.17247 0.31974 ++ {0.0} {} 122.554229736 5.6289 0 {} 0 0 0 40 {} 4.24889 0.04023 0.11685 ++ {0.0} {} {} 56.53025 0.19582 0.38809 ++ {0.0} {} 212.564025879 7.1344 0 {} 0 0 0 41 {} 4.24067 0.04713 0.07108 ++ {0.0} {} {} 60.90592 0.15600 0.21286 ++ {0.0} {} 31.01304245 1.5928 0 {} 0 0 0 42 {} 4.23259 0.03077 0.00786 ++ {0.0} {} {} 69.89449 0.03538 0.00693 ++ {0.0} {} 0.912344157696 0.4672 0 {} 0 0 0 43 {} 4.23026 0.03284 0.05733 ++ {0.0} {} {} 69.70439 0.09619 0.22764 ++ {0.0} {} -59.2591094971 -4.3459 0 {} 0 0 0 44 {} 4.22934 0.04660 0.06636 ++ {0.0} {} {} 60.17105 0.19100 0.24847 ++ {0.0} {} 29.3980236053 1.5181 0 {} 0 0 0 45 {} 4.22476 0.04512 0.06485 ++ {0.0} {} {} 57.90898 0.19684 0.25853 ++ {0.0} {} 29.7607975006 1.5296 0 {} 0 0 0 46 {} 4.20155 0.04014 0.05795 ++ {0.0} {} {} 54.89606 0.15604 0.20681 ++ {0.0} {} 22.5349845886 1.4980 0 {} 0 0 0 47 {} 4.17369 0.04062 0.05855 ++ {0.0} {} {} 64.74409 0.19029 0.24584 ++ {0.0} {} 24.5726070404 1.5045 0 {} 0 0 0 48 {} 4.17016 0.01583 0.01298 ++ {0.0} {} {} 62.57654 0.03126 0.02594 ++ {0.0} {} -1.79164302349 -0.7203 0 {} 0 0 0 49 {} 4.16424 0.05143 0.09226 ++ {0.0} {} {} 58.68572 0.17804 0.29591 ++ {0.0} {} 77.8188934326 3.1763 0 {} 0 0 0 50 {} 4.15949 0.02890 0.05273 ++ {0.0} {} {} 62.36014 0.16008 0.31969 ++ {0.0} {} 132.80557251 12.1637 0 {} 0 0 0 51 {} 4.13373 0.04334 0.06373 ++ {0.0} {} {} 59.44170 0.17877 0.26941 ++ {0.0} {} 35.1519203186 1.6830 0 {} 0 0 0 52 {} 4.13497 0.04083 0.11272 ++ {0.0} {} {} 58.14406 0.16232 0.30627 ++ {0.0} {} 97.5053253174 3.5449 0 {} 0 0 0 53 {} 4.12323 0.01511 0.01663 ++ {0.0} {} {} 62.34317 0.14288 0.18665 ++ {0.0} {} -9.87956047058 -1.2870 0 {} 0 0 0 54 {} 4.11971 0.03755 0.04183 ++ {0.0} {} {} 61.66393 0.14414 0.16111 ++ {0.0} {} 11.3818302155 0.9921 0 {} 0 0 0 55 {} 4.10746 0.06223 0.03179 ++ {0.0} {} {} 47.12546 0.18556 0.04908 ++ {0.0} {} -4.90905094147 -0.4801 0 {} 0 0 0 56 {} 4.08015 0.03845 0.06506 ++ {0.0} {} {} 56.88646 0.17880 0.25157 ++ {0.0} {} 33.9514122009 2.0105 0 {} 0 0 0 57 {} 4.07036 0.03682 0.05260 ++ {0.0} {} {} 45.16971 0.10334 0.28233 ++ {0.0} {} -148.892730713 -9.0579 0 {} 0 0 0 58 {} 4.05424 0.04516 0.07642 ++ {0.0} {} {} 58.03416 0.15914 0.26544 ++ {0.0} {} 52.8642616272 2.9271 0 {} 0 0 0 59 {} 4.04439 0.02630 0.03757 ++ {0.0} {} {} 45.16553 0.09914 0.25910 ++ {0.0} {} -106.803794861 -7.5260 0 {} 0 0 0 60 {} 4.02959 0.08038 0.15781 ++ {0.0} {} {} 59.05798 0.18377 0.37324 ++ {0.0} {} 199.720718384 3.6843 0 {} 0 0 0 61 {} 4.02367 0.04830 0.06522 ++ {0.0} {} {} 59.80752 0.16168 0.21488 ++ {0.0} {} 25.6922054291 1.3292 0 {} 0 0 0 62 {} 3.98731 0.03764 0.06105 ++ {0.0} {} {} 62.60934 0.11267 0.21719 ++ {0.0} {} 33.9688415527 2.5389 0 {} 0 0 0 63 {} 3.98361 0.08883 0.04836 ++ {0.0} {} {} 45.34957 0.04749 0.08463 ++ {0.0} {} -8.47740650177 -0.7083 0 {} 0 0 0 64 {} 3.95348 0.09549 0.12666 ++ {0.0} {} {} 45.56730 0.12623 0.23384 ++ {0.0} {} -52.8480796814 -1.3974 0 {} 0 0 0 65 {} 3.94079 0.05217 0.03095 ++ {0.0} {} {} 45.02805 0.15080 0.05233 ++ {0.0} {} -4.81276607513 -0.5100 0 {} 0 0 0 66 {} 3.93112 0.05024 0.07734 ++ {0.0} {} {} 59.12447 0.13745 0.24385 ++ {0.0} {} 40.5338554382 2.0484 0 {} 0 0 0 67 {} 3.91188 0.04411 0.06301 ++ {0.0} {} {} 63.77507 0.11170 0.24382 ++ {0.0} {} 60.9283638 3.9061 0 {} 0 0 0 68 {} 3.88356 0.04407 0.05501 ++ {0.0} {} {} 60.18617 0.15187 0.19217 ++ {0.0} {} 19.5748271942 1.1539 0 {} 0 0 0 69 {} 3.86247 0.04734 0.06763 ++ {0.0} {} {} 63.77540 0.11724 0.26134 ++ {0.0} {} 69.4740982056 4.1735 0 {} 0 0 0 70 {} 3.86745 0.02286 0.01516 ++ {0.0} {} {} 43.76982 0.14801 0.03718 ++ {0.0} {} 1.36689889431 0.4803 0 {} 0 0 0 71 {} 3.84523 0.04701 0.06116 ++ {0.0} {} {} 60.97741 0.18239 0.22883 ++ {0.0} {} 21.5486984253 1.2480 0 {} 0 0 0 72 {} 3.82749 0.04197 0.04917 ++ {0.0} {} {} 58.97248 0.16111 0.19387 ++ {0.0} {} 18.9062137604 1.0467 0 {} 0 0 0 73 {} 3.82655 0.02241 0.05606 ++ {0.0} {} {} 43.85568 0.11138 0.30020 ++ {0.0} {} -223.619842529 -24.7665 0 {} 0 0 0 74 {} 3.79390 0.04574 0.10806 ++ {0.0} {} {} 50.67363 0.14588 0.26825 ++ {0.0} {} 116.671440125 5.5489 0 {} 0 0 0 75 {} 3.77899 0.06487 0.03867 ++ {0.0} {} {} 47.12780 0.18422 0.07356 ++ {0.0} {} -6.26349639893 -0.5196 0 {} 0 0 0 76 {} 3.73971 0.05739 0.08198 ++ {0.0} {} {} 50.59386 0.15072 0.26790 ++ {0.0} {} 112.977119446 4.4364 0 {} 0 0 0 77 {} 3.68935 0.04779 0.12775 ++ {0.0} {} {} 50.67585 0.13129 0.26161 ++ {0.0} {} 160.699050903 6.0142 0 {} 0 0 0 78 {} 3.61126 0.04093 0.08613 ++ {0.0} {} {} 50.58723 0.12166 0.25781 ++ {0.0} {} 68.6279907227 4.4352 0 {} 0 0 0 79 {} 3.57813 0.02209 0.00025 ++ {0.0} {} {} 50.14630 0.14963 0.00033 ++ {0.0} {} 0.421906709671 0.4219 0 {} 0 0 0 80 {} 3.50480 0.04112 0.01859 ++ {0.0} {} {} 50.13944 0.15403 0.02053 ++ {0.0} {} 1.73392045498 0.4516 0 {} 0 0 0 81 {} 3.34935 0.05627 0.04916 ++ {0.0} {} {} 38.66086 0.13978 0.11902 ++ {0.0} {} 11.5809421539 0.7339 0 {} 0 0 0 82 {} 3.30042 0.05016 0.05097 ++ {0.0} {} {} 43.35629 0.19312 0.19732 ++ {0.0} {} -14.1070451736 -0.8823 0 {} 0 0 0 83 {} 3.28194 0.04734 0.06763 ++ {0.0} {} {} 43.70298 0.16080 0.28643 ++ {0.0} {} 61.1058807373 2.4779 0 {} 0 0 0 84 {} 3.26118 0.05824 0.06135 ++ {0.0} {} {} 43.27031 0.04659 0.05261 ++ {0.0} {} -10.4126491547 -0.9679 0 {} 0 0 0 85 {} 3.22142 0.10249 0.05720 ++ {0.0} {} {} 43.08537 0.24225 0.19773 ++ {0.0} {} -15.1677761078 -0.5979 0 {} 0 0 0 86 {} 3.20904 0.08860 0.16051 ++ {0.0} {} {} 43.42968 0.14935 0.39304 ++ {0.0} {} 822.390625 25.8964 0 {} 0 0 0 87 {} 3.18425 0.06736 0.09623 ++ {0.0} {} {} 43.99416 0.25820 0.35025 ++ {0.0} {} 51.8513031006 1.0936 0 {} 0 0 0 88 {} 3.17367 0.04233 0.03529 ++ {0.0} {} {} 43.18877 0.01886 0.01461 ++ {0.0} {} -6.36681747437 -0.6878 0 {} 0 0 0 89 {} 3.14724 0.05870 0.05891 ++ {0.0} {} {} 31.17897 0.27011 0.27120 ++ {0.0} {} 23.2867774963 0.8469 0 {} 0 0 0 90 {} 3.11547 0.02937 0.07001 ++ {0.0} {} {} 43.98717 0.19404 0.21203 ++ {0.0} {} 24.6356945038 0.9511 0 {} 0 0 0 91 {} 3.10319 0.03396 0.06900 ++ {0.0} {} {} 30.75245 0.19017 0.65076 ++ {0.0} {} 96.5937271118 3.7756 0 {} 0 0 0 92 {} 3.03054 0.07026 0.11272 ++ {0.0} {} {} 31.04029 0.30757 0.37735 ++ {0.0} {} 72.0979766846 1.1656 0 {} 0 0 0 93 {} 2.99011 0.07421 0.06391 ++ {0.0} {} {} 38.84644 0.22858 0.19552 ++ {0.0} {} 17.2201843262 0.6984 0 {} 0 0 0 94 {} 2.98724 0.02461 0.03255 ++ {0.0} {} {} 41.96359 0.01842 0.02753 ++ {0.0} {} -10.086810112 -1.6681 0 {} 0 0 0 95 {} 2.98303 0.05729 0.04967 ++ {0.0} {} {} 41.73170 0.26317 0.37596 ++ {0.0} {} -21.2369689941 -0.7643 0 {} 0 0 0 96 {} 2.97661 0.05745 0.02985 ++ {0.0} {} {} 42.73806 0.26268 0.15258 ++ {0.0} {} 6.45867109299 0.5303 0 {} 0 0 0 97 {} 2.97491 0.05017 0.03209 ++ {0.0} {} {} 41.50294 0.14935 0.23130 ++ {0.0} {} -13.3364973068 -0.6063 0 {} 0 0 0 98 {} 2.97158 0.04039 0.15461 ++ {0.0} {} {} 42.15274 0.10620 0.28605 ++ {0.0} {} 691.005615234 32.6566 0 {} 0 0 0 99 {} 2.93432 0.22324 0.05667 ++ {0.0} {} {} 43.48232 0.19302 0.05965 ++ {0.0} {} 7.05332612991 0.4947 0 {} 0 0 0 100 {} 2.93164 0.04661 0.08460 ++ {0.0} {} {} 42.05829 0.14762 0.29087 ++ {0.0} {} 377.278839111 12.0505 0 {} 0 0 0 101 {} 2.90174 0.06283 0.11098 ++ {0.0} {} {} 43.13196 0.11920 0.23708 ++ {0.0} {} 73.6296386719 3.2645 0 {} 0 0 0 102 {} 2.74114 0.03888 0.06892 ++ {0.0} {} {} 38.77040 0.16939 0.24996 ++ {0.0} {} 44.552570343 2.5664 0 {} 0 0 0 103 {} 2.71858 0.00944 0.00234 ++ {0.0} {} {} 41.71738 0.06107 0.01513 ++ {0.0} {} 0.481014788151 0.4810 0 {} 0 0 0 104 {} 2.71675 0.01011 0.00688 ++ {0.0} {} {} 41.48742 0.04749 0.03231 ++ {0.0} {} 1.52949631214 0.6387 0 {} 0 0 0 105 {} 2.71880 0.01100 0.00871 ++ {0.0} {} {} 41.37967 0.02997 0.02372 ++ {0.0} {} -1.32540464401 -0.6974 0 {} 0 0 0 106 {} 2.71158 0.02500 0.01075 ++ {0.0} {} {} 42.11256 0.03898 0.02249 ++ {0.0} {} -1.35396158695 -0.5923 0 {} 0 0 0 107 {} 2.70728 0.05067 0.05568 ++ {0.0} {} {} 33.33698 0.11258 0.12517 ++ {0.0} {} 15.0686540604 0.9490 0 {} 0 0 0 108 {} 2.68402 0.04666 0.08235 ++ {0.0} {} {} 42.30299 0.11208 0.25719 ++ {0.0} {} 90.3246307373 4.8599 0 {} 0 0 0 109 {} 2.67992 0.11047 0.15781 ++ {0.0} {} {} 41.18012 0.14736 0.28935 ++ {0.0} {} 327.472259521 8.8938 0 {} 0 0 0 110 {} 2.67199 0.01876 0.02145 ++ {0.0} {} {} 42.10878 0.03268 0.03623 ++ {0.0} {} -2.78842163086 -0.9459 0 {} 0 0 0 111 {} 2.66886 0.01214 0.00896 ++ {0.0} {} {} 41.99211 0.04876 0.03598 ++ {0.0} {} 1.14876568317 0.6679 0 {} 0 0 0 112 {} 2.66800 0.01321 0.00279 ++ {0.0} {} {} 41.63912 0.04434 0.00935 ++ {0.0} {} -0.881496369839 -0.4711 0 {} 0 0 0 113 {} 2.66513 0.01042 0.00553 ++ {0.0} {} {} 41.85263 0.05455 0.02894 ++ {0.0} {} -1.02074277401 -0.5736 0 {} 0 0 0 114 {} 2.66326 0.01223 0.01089 ++ {0.0} {} {} 41.72560 0.04883 0.04350 ++ {0.0} {} 1.43026673794 0.7599 0 {} 0 0 0 115 {} 2.66493 0.01113 0.01409 ++ {0.0} {} {} 41.50053 0.05739 0.07270 ++ {0.0} {} 3.48866510391 1.1496 0 {} 0 0 0 116 {} 2.66226 0.01925 0.02066 ++ {0.0} {} {} 41.38842 0.02115 0.02311 ++ {0.0} {} -2.42700386047 -0.9292 0 {} 0 0 0 117 {} 2.64715 0.04497 0.07811 ++ {0.0} {} {} 38.76829 0.17084 0.25316 ++ {0.0} {} 49.3248786926 2.6235 0 {} 0 0 0 118 {} 2.59080 0.05787 0.08266 ++ {0.0} {} {} 41.15978 0.13989 0.28043 ++ {0.0} {} 140.484207153 6.0272 0 {} 0 0 0 119 {} 2.57482 0.02335 0.01220 ++ {0.0} {} {} 41.45338 0.06162 0.03529 ++ {0.0} {} 1.38978838921 0.5905 0 {} 0 0 0 120 {} 2.57465 0.04734 0.06763 ++ {0.0} {} {} 34.60583 0.19349 0.29104 ++ {0.0} {} 65.0346984863 2.5963 0 {} 0 0 0 121 {} 2.57312 0.04157 0.02394 ++ {0.0} {} {} 33.65995 0.13648 0.03203 ++ {0.0} {} -2.21347808838 -0.4775 0 {} 0 0 0 122 {} 2.55983 0.03002 0.02327 ++ {0.0} {} {} 42.11005 0.03152 0.02235 ++ {0.0} {} -2.54139208794 -0.6530 0 {} 0 0 0 123 {} 2.54239 0.05293 0.09584 ++ {0.0} {} {} 42.30279 0.10177 0.25250 ++ {0.0} {} 96.7204666138 5.1991 0 {} 0 0 0 124 {} 2.52987 0.04734 0.06763 ++ {0.0} {} {} 34.60361 0.19834 0.30923 ++ {0.0} {} 64.3212356567 2.7589 0 {} 0 0 0 125 {} 2.52979 0.05130 0.12775 ++ {0.0} {} {} 33.86287 0.20444 0.34280 ++ {0.0} {} 227.794845581 4.2969 0 {} 0 0 0 126 {} 2.51347 0.04940 0.07115 ++ {0.0} {} {} 36.11721 0.16368 0.22444 ++ {0.0} {} 29.0140380859 1.6512 0 {} 0 0 0 127 {} 2.49144 0.04279 0.01548 ++ {0.0} {} {} 33.63143 0.14565 0.00354 ++ {0.0} {} -1.26597392559 -0.4266 0 {} 0 0 0 128 {} 2.44419 0.04734 0.06763 ++ {0.0} {} {} 33.98024 0.28574 0.61604 ++ {0.0} {} 210.291900635 5.0922 0 {} 0 0 0 129 {} 2.44413 0.11752 0.05733 ++ {0.0} {} {} 33.56013 0.10557 0.04144 ++ {0.0} {} -7.84440517426 -0.5244 0 {} 0 0 0 130 {} 2.41811 0.07080 0.11710 ++ {0.0} {} {} 36.68382 0.11453 0.25404 ++ {0.0} {} 101.838058472 3.2092 0 {} 0 0 0 131 {} 2.42067 0.06013 0.01912 ++ {0.0} {} {} 36.32395 0.05209 0.01106 ++ {0.0} {} -1.8059886694 -0.4715 0 {} 0 0 0 132 {} 2.42017 0.05502 0.07362 ++ {0.0} {} {} 36.12453 0.15949 0.21714 ++ {0.0} {} 28.1905879974 1.4511 0 {} 0 0 0 133 {} 2.38871 0.05787 0.08266 ++ {0.0} {} {} 33.96922 0.20066 0.66803 ++ {0.0} {} 359.895294189 6.2559 0 {} 0 0 0 134 {} 2.39163 0.04764 0.04020 ++ {0.0} {} {} 33.52248 0.07635 0.13511 ++ {0.0} {} -8.08509635925 -0.5067 0 {} 0 0 0 135 {} 2.35771 0.05787 0.08266 ++ {0.0} {} {} 33.77990 0.09787 0.33475 ++ {0.0} {} 192.176101685 4.9888 0 {} 0 0 0 136 {} 2.35005 0.05501 0.07478 ++ {0.0} {} {} 27.75853 0.12653 0.17701 ++ {0.0} {} -21.4864730835 -1.2687 0 {} 0 0 0 137 {} 2.30034 0.04677 0.03971 ++ {0.0} {} {} 34.41166 0.13666 0.11155 ++ {0.0} {} 8.67877197266 0.7121 0 {} 0 0 0 138 {} 2.29665 0.02609 0.04909 ++ {0.0} {} {} 34.13279 0.10742 0.08749 ++ {0.0} {} 10.546423912 0.7110 0 {} 0 0 0 139 {} 2.29381 0.06839 0.09769 ++ {0.0} {} {} 33.78578 0.19334 0.32358 ++ {0.0} {} 176.838043213 6.9948 0 {} 0 0 0 140 {} 2.29725 0.04683 0.07832 ++ {0.0} {} {} 33.56880 0.04968 0.07116 ++ {0.0} {} -14.7514219284 -1.4845 0 {} 0 0 0 141 {} 2.29076 0.02668 0.02301 ++ {0.0} {} {} 33.44109 0.04704 0.04005 ++ {0.0} {} 2.60334396362 0.7339 0 {} 0 0 0 142 {} 2.28794 0.03501 0.03708 ++ {0.0} {} {} 33.31395 0.06826 0.07237 ++ {0.0} {} -6.53926134109 -0.8969 0 {} 0 0 0 143 {} 2.28754 0.05416 0.01754 ++ {0.0} {} {} 32.36014 0.03698 0.00419 ++ {0.0} {} 1.31106078625 0.4468 0 {} 0 0 0 144 {} 2.28480 0.06215 0.10010 ++ {0.0} {} {} 32.14598 0.19147 0.30741 ++ {0.0} {} -96.0637664795 -3.1153 0 {} 0 0 0 145 {} 2.28470 0.05456 0.04827 ++ {0.0} {} {} 28.17953 0.21458 0.19256 ++ {0.0} {} -12.6192541122 -0.7256 0 {} 0 0 0 146 {} 2.27867 0.03987 0.02873 ++ {0.0} {} {} 33.04520 0.08244 0.05395 ++ {0.0} {} -4.13343763351 -0.6264 0 {} 0 0 0 147 {} 2.27822 0.06146 0.02791 ++ {0.0} {} {} 31.83396 0.03800 0.02838 ++ {0.0} {} -4.59187698364 -0.5076 0 {} 0 0 0 148 {} 2.27270 0.07441 0.04426 ++ {0.0} {} {} 37.01234 0.13080 0.20258 ++ {0.0} {} 11.3964729309 0.6140 0 {} 0 0 0 149 {} 2.27401 0.05919 0.17885 ++ {0.0} {} {} 36.34156 0.12853 0.37596 ++ {0.0} {} 615.585571289 18.3745 0 {} 0 0 0 150 {} 2.27118 0.05134 0.06545 ++ {0.0} {} {} 35.75695 0.09235 0.11274 ++ {0.0} {} -12.9301948547 -1.0817 0 {} 0 0 0 151 {} 2.27413 0.04095 0.02360 ++ {0.0} {} {} 32.76207 0.10864 0.04943 ++ {0.0} {} -2.39768505096 -0.5456 0 {} 0 0 0 152 {} 2.27209 0.05943 0.04221 ++ {0.0} {} {} 32.49102 0.09528 0.05012 ++ {0.0} {} -3.68039488792 -0.5719 0 {} 0 0 0 153 {} 2.27177 0.02944 0.02418 ++ {0.0} {} {} 30.06826 0.24103 0.19110 ++ {0.0} {} -7.71958446503 -0.6958 0 {} 0 0 0 154 {} 2.26401 0.04137 0.10665 ++ {0.0} {} {} 36.01654 0.14307 0.28620 ++ {0.0} {} 203.354354858 9.2862 0 {} 0 0 0 155 {} 2.26607 0.05439 0.03736 ++ {0.0} {} {} 35.49877 0.21371 0.14438 ++ {0.0} {} -8.98325538635 -0.6186 0 {} 0 0 0 156 {} 2.26481 0.05789 0.07930 ++ {0.0} {} {} 27.77052 0.17977 0.21456 ++ {0.0} {} -29.4764003754 -1.1872 0 {} 0 0 0 157 {} 2.25435 0.02786 0.00744 ++ {0.0} {} {} 36.16880 0.00612 0.00130 ++ {0.0} {} -0.885456502438 -0.4716 0 {} 0 0 0 158 {} 2.25151 0.06404 0.06215 ++ {0.0} {} {} 29.43092 0.14305 0.13781 ++ {0.0} {} -14.9642791748 -0.8131 0 {} 0 0 0 159 {} 2.21042 0.06297 0.08995 ++ {0.0} {} {} 28.31013 0.21825 0.24023 ++ {0.0} {} -44.605014801 -0.9988 0 {} 0 0 0 160 {} 2.21409 0.04873 0.07121 ++ {0.0} {} {} 27.90780 0.17512 0.23340 ++ {0.0} {} -32.6711845398 -1.6328 0 {} 0 0 0 161 {} 2.17228 0.05990 0.02574 ++ {0.0} {} {} 29.66286 0.08746 0.06040 ++ {0.0} {} -4.31806468964 -0.4873 0 {} 0 0 0 162 {} 2.12231 0.06515 0.05871 ++ {0.0} {} {} 28.85123 0.19703 0.18111 ++ {0.0} {} -13.9188108444 -0.7590 0 {} 0 0 0 163 {} 2.11503 0.05185 0.03396 ++ {0.0} {} {} 32.90763 0.03858 0.01867 ++ {0.0} {} -3.03327012062 -0.5559 0 {} 0 0 0 164 {} 2.11519 0.03895 0.08047 ++ {0.0} {} {} 32.71038 0.09594 0.21614 ++ {0.0} {} 106.591880798 7.9653 0 {} 0 0 0 165 {} 2.11673 0.05064 0.06223 ++ {0.0} {} {} 32.53608 0.03167 0.04204 ++ {0.0} {} -13.1914682388 -1.2534 0 {} 0 0 0 166 {} 2.11884 0.01692 0.01528 ++ {0.0} {} {} 17.55151 0.00686 0.00579 ++ {0.0} {} 3.07162475586 0.7290 0 {} 0 0 0 167 {} 2.10793 0.04576 0.09726 ++ {0.0} {} {} 28.36757 0.15048 0.27842 ++ {0.0} {} -99.7911376953 -4.0780 0 {} 0 0 0 168 {} 2.11045 0.02230 0.04210 ++ {0.0} {} {} 17.72578 0.13538 0.28802 ++ {0.0} {} -153.028869629 -21.6236 0 {} 0 0 0 169 {} 2.09039 0.02323 0.01862 ++ {0.0} {} {} 17.03619 0.19357 0.16372 ++ {0.0} {} -4.6538028717 -0.6840 0 {} 0 0 0 170 {} 2.08208 0.04622 0.05153 ++ {0.0} {} {} 27.74836 0.12197 0.13773 ++ {0.0} {} -13.99173069 -0.9680 0 {} 0 0 0 171 {} 2.08213 0.01346 0.01595 ++ {0.0} {} {} 17.70826 0.11808 0.19474 ++ {0.0} {} 7.71362400055 1.8084 0 {} 0 0 0 172 {} 2.07244 0.08275 0.17284 ++ {0.0} {} {} 29.33838 0.19478 0.27587 ++ {0.0} {} -101.774909973 -2.2353 0 {} 0 0 0 173 {} 2.05964 0.03412 0.04985 ++ {0.0} {} {} 36.37933 0.21213 0.13012 ++ {0.0} {} 9.77878761292 0.5554 0 {} 0 0 0 174 {} 2.06449 0.03837 0.02163 ++ {0.0} {} {} 29.80085 0.04565 0.02196 ++ {0.0} {} 1.98094034195 0.5549 0 {} 0 0 0 175 {} 2.05363 0.05942 0.13652 ++ {0.0} {} {} 30.16996 0.26008 0.52635 ++ {0.0} {} -296.261138916 -5.0158 0 {} 0 0 0 176 {} 2.04555 0.07440 0.11272 ++ {0.0} {} {} 30.51464 0.20038 0.34883 ++ {0.0} {} -90.4536590576 -2.1594 0 {} 0 0 0 177 {} 2.04484 0.02469 0.03819 ++ {0.0} {} {} 28.86241 0.20978 0.16195 ++ {0.0} {} -8.62773704529 -0.6114 0 {} 0 0 0 178 {} 2.02356 0.07193 0.14764 ++ {0.0} {} {} 29.96181 0.15482 0.27851 ++ {0.0} {} -180.860061646 -4.6157 0 {} 0 0 0 179 {} 2.01984 0.11335 0.00866 ++ {0.0} {} {} 27.20294 0.02494 0.00511 ++ {0.0} {} 0.867917597294 0.4420 0 {} 0 0 0 180 {} 2.01447 0.06250 0.06549 ++ {0.0} {} {} 28.10691 0.20072 0.20972 ++ {0.0} {} -19.9289264679 -0.9017 0 {} 0 0 0 181 {} 2.00460 0.03183 0.07636 ++ {0.0} {} {} 27.72963 0.13727 0.15681 ++ {0.0} {} -22.5718345642 -0.9852 0 {} 0 0 0 182 {} 1.98316 0.04480 0.08427 ++ {0.0} {} {} 36.70438 0.12698 0.25263 ++ {0.0} {} 50.7193717957 2.5528 0 {} 0 0 0 183 {} 1.98203 0.05453 0.10206 ++ {0.0} {} {} 27.36413 0.15146 0.28258 ++ {0.0} {} -167.325866699 -7.2881 0 {} 0 0 0 184 {} 1.98202 0.07410 0.00486 ++ {0.0} {} {} 27.13815 0.07994 0.00380 ++ {0.0} {} 0.85421025753 0.4317 0 {} 0 0 0 185 {} 1.96644 0.06814 0.09769 ++ {0.0} {} {} 30.51024 0.19698 0.26719 ++ {0.0} {} -61.985534668 -1.9010 0 {} 0 0 0 186 {} 1.96658 0.06463 0.04026 ++ {0.0} {} {} 29.67773 0.10149 0.04166 ++ {0.0} {} -3.40935921669 -0.5303 0 {} 0 0 0 187 {} 1.95186 0.04313 0.00534 ++ {0.0} {} {} 36.36859 0.15415 0.01269 ++ {0.0} {} 0.850410580635 0.4395 0 {} 0 0 0 188 {} 1.95045 0.05702 0.11638 ++ {0.0} {} {} 30.13981 0.15895 0.28760 ++ {0.0} {} -162.216842651 -4.4001 0 {} 0 0 0 189 {} 1.95144 0.05954 0.10062 ++ {0.0} {} {} 29.34816 0.17854 0.25082 ++ {0.0} {} -50.9877967834 -2.3163 0 {} 0 0 0 190 {} 1.95092 0.11908 0.07574 ++ {0.0} {} {} 29.11891 0.07109 0.04648 ++ {0.0} {} 10.8095493317 0.6261 0 {} 0 0 0 191 {} 1.91038 0.04347 0.00617 ++ {0.0} {} {} 32.35348 0.04617 0.00291 ++ {0.0} {} 0.856798291206 0.4352 0 {} 0 0 0 192 {} 1.91346 0.05201 0.08616 ++ {0.0} {} {} 32.15364 0.17376 0.25576 ++ {0.0} {} -48.2906112671 -2.3737 0 {} 0 0 0 193 {} 1.91464 0.05757 0.04572 ++ {0.0} {} {} 31.85392 0.11092 0.08089 ++ {0.0} {} -7.7189540863 -0.6633 0 {} 0 0 0 194 {} 1.90700 0.03810 0.00211 ++ {0.0} {} {} 29.77647 0.05123 0.00308 ++ {0.0} {} 0.434504181147 0.4345 0 {} 0 0 0 195 {} 1.89790 0.02772 0.11175 ++ {0.0} {} {} 29.98141 0.13958 0.25002 ++ {0.0} {} -155.134521484 -4.3439 0 {} 0 0 0 196 {} 1.88951 0.06710 0.11530 ++ {0.0} {} {} 32.73611 0.19027 0.28994 ++ {0.0} {} -81.8258209229 -2.3750 0 {} 0 0 0 197 {} 1.87642 0.05787 0.08266 ++ {0.0} {} {} 29.16117 0.19299 0.08304 ++ {0.0} {} 12.1427507401 0.5363 0 {} 0 0 0 198 {} 1.86230 0.05195 0.07242 ++ {0.0} {} {} 30.92677 0.17921 0.26546 ++ {0.0} {} -47.274105072 -2.1079 0 {} 0 0 0 199 {} 1.85768 0.05250 0.08803 ++ {0.0} {} {} 36.70043 0.15262 0.25677 ++ {0.0} {} 47.7311897278 2.1063 0 {} 0 0 0 200 {} 1.84304 0.04926 0.08819 ++ {0.0} {} {} 31.35642 0.09765 0.18991 ++ {0.0} {} -71.180305481 -3.3827 0 {} 0 0 0 201 {} 1.83767 0.02174 0.01788 ++ {0.0} {} {} 31.17536 0.03094 0.02509 ++ {0.0} {} 1.75835442543 0.7090 0 {} 0 0 0 202 {} 1.83081 0.04096 0.06366 ++ {0.0} {} {} 30.61413 0.06627 0.03849 ++ {0.0} {} -9.41684436798 -0.5939 0 {} 0 0 0 203 {} 1.82194 0.05083 0.09997 ++ {0.0} {} {} 30.28429 0.16679 0.25725 ++ {0.0} {} -60.0531005859 -2.5921 0 {} 0 0 0 204 {} 1.80706 0.05099 0.07606 ++ {0.0} {} {} 27.63415 0.17394 0.25534 ++ {0.0} {} -40.3603363037 -2.0230 0 {} 0 0 0 205 {} 1.80156 0.03485 0.02861 ++ {0.0} {} {} 27.16962 0.12714 0.02787 ++ {0.0} {} 2.25818157196 0.4733 0 {} 0 0 0 206 {} 1.79480 0.03454 0.07971 ++ {0.0} {} {} 32.69819 0.14555 0.15316 ++ {0.0} {} -19.7917747498 -0.8922 0 {} 0 0 0 207 {} 1.78943 0.05498 0.00644 ++ {0.0} {} {} 32.42493 0.06356 0.00211 ++ {0.0} {} -0.845305800438 -0.4285 0 {} 0 0 0 208 {} 1.79060 0.05671 0.10454 ++ {0.0} {} {} 32.09798 0.13992 0.24428 ++ {0.0} {} -79.5812911987 -3.3332 0 {} 0 0 0 209 {} 1.78534 0.04288 0.00565 ++ {0.0} {} {} 31.88433 0.05657 0.00502 ++ {0.0} {} 0.881345927715 0.4410 0 {} 0 0 0 210 {} 1.77277 0.05421 0.08143 ++ {0.0} {} {} 30.92926 0.16998 0.26305 ++ {0.0} {} -46.1536140442 -2.0684 0 {} 0 0 0 211 {} 1.76666 0.04989 0.09029 ++ {0.0} {} {} 33.25553 0.13899 0.23091 ++ {0.0} {} -50.2473907471 -2.3752 0 {} 0 0 0 212 {} 1.76796 0.09814 0.03244 ++ {0.0} {} {} 32.95338 0.07942 0.03281 ++ {0.0} {} -2.44231534004 -0.5312 0 {} 0 0 0 213 {} 1.76544 0.06570 0.09984 ++ {0.0} {} {} 27.37173 0.13953 0.22863 ++ {0.0} {} -66.5709228516 -2.5440 0 {} 0 0 0 214 {} 1.75530 0.05609 0.05817 ++ {0.0} {} {} 28.09749 0.19933 0.20691 ++ {0.0} {} -17.87774086 -0.8876 0 {} 0 0 0 215 {} 1.74631 0.05727 0.06871 ++ {0.0} {} {} 41.70668 0.13372 0.17023 ++ {0.0} {} -20.9686431885 -1.1098 0 {} 0 0 0 216 {} 1.73772 0.02400 0.06836 ++ {0.0} {} {} 29.94656 0.12787 0.17016 ++ {0.0} {} -20.7918395996 -1.2560 0 {} 0 0 0 217 {} 1.73403 0.02170 0.04625 ++ {0.0} {} {} 29.14829 0.21545 0.19777 ++ {0.0} {} 12.8346652985 0.7545 0 {} 0 0 0 218 {} 1.72687 0.05084 0.09045 ++ {0.0} {} {} 30.27588 0.13705 0.24961 ++ {0.0} {} -57.5027770996 -2.6283 0 {} 0 0 0 219 {} 1.71417 0.05787 0.08266 ++ {0.0} {} {} 27.10542 0.14280 0.23118 ++ {0.0} {} 49.0635452271 2.4661 0 {} 0 0 0 220 {} 1.70284 0.05372 0.09511 ++ {0.0} {} {} 31.36421 0.15173 0.26231 ++ {0.0} {} -73.808303833 -3.0761 0 {} 0 0 0 221 {} 1.69085 0.04960 0.07326 ++ {0.0} {} {} 27.62303 0.18913 0.26012 ++ {0.0} {} -45.9027061462 -1.8925 0 {} 0 0 0 222 {} 1.68333 0.04093 0.06724 ++ {0.0} {} {} 42.35775 0.09648 0.17354 ++ {0.0} {} -44.3342056274 -2.5634 0 {} 0 0 0 223 {} 1.68348 0.04836 0.09122 ++ {0.0} {} {} 33.26396 0.13291 0.23060 ++ {0.0} {} -51.4476699829 -2.3049 0 {} 0 0 0 224 {} 1.68878 0.05295 0.10682 ++ {0.0} {} {} 29.58886 0.15286 0.28134 ++ {0.0} {} -98.4352874756 -4.3928 0 {} 0 0 0 225 {} 1.68503 0.03094 0.02509 ++ {0.0} {} {} 29.40671 0.02585 0.01994 ++ {0.0} {} 2.64534211159 0.6860 0 {} 0 0 0 226 {} 1.68362 0.04283 0.04743 ++ {0.0} {} {} 28.98250 0.05316 0.05779 ++ {0.0} {} 9.25014591217 0.9233 0 {} 0 0 0 227 {} 1.67254 0.05315 0.03653 ++ {0.0} {} {} 28.72046 0.13479 0.07587 ++ {0.0} {} 5.36171245575 0.5865 0 {} 0 0 0 228 {} 1.65073 0.05151 0.11199 ++ {0.0} {} {} 29.15497 0.13154 0.28332 ++ {0.0} {} -342.214294434 -14.0431 0 {} 0 0 0 229 {} 1.64263 0.04576 0.11236 ++ {0.0} {} {} 27.02338 0.07323 0.13453 ++ {0.0} {} 51.0187759399 5.1741 0 {} 0 0 0 230 {} 1.63987 0.04687 0.03419 ++ {0.0} {} {} 30.28207 0.16628 0.11148 ++ {0.0} {} -7.67514419556 -0.6338 0 {} 0 0 0 231 {} 1.63758 0.06544 0.11012 ++ {0.0} {} {} 27.22782 0.17867 0.24164 ++ {0.0} {} -110.167045593 -4.6764 0 {} 0 0 0 232 {} 1.63658 0.05787 0.08266 ++ {0.0} {} {} 26.86293 0.07781 0.14692 ++ {0.0} {} -125.158790588 -7.5386 0 {} 0 0 0 233 {} 1.62495 0.03767 0.14347 ++ {0.0} {} {} 29.94218 0.18685 0.26958 ++ {0.0} {} -67.6112136841 -1.7375 0 {} 0 0 0 234 {} 1.62304 0.12414 0.10704 ++ {0.0} {} {} 26.65588 0.04192 0.03309 ++ {0.0} {} 15.4622955322 0.6963 0 {} 0 0 0 235 {} 1.62613 0.05173 0.05996 ++ {0.0} {} {} 25.38696 0.17340 0.19572 ++ {0.0} {} -18.4870128632 -1.0225 0 {} 0 0 0 236 {} 1.61274 0.06499 0.04195 ++ {0.0} {} {} 28.98873 0.04835 0.03169 ++ {0.0} {} 3.72146296501 0.6268 0 {} 0 0 0 237 {} 1.58774 0.03926 0.02712 ++ {0.0} {} {} 31.36893 0.17154 0.11667 ++ {0.0} {} -6.73782157898 -0.6374 0 {} 0 0 0 238 {} 1.58651 0.04307 0.10407 ++ {0.0} {} {} 26.82505 0.12110 0.26644 ++ {0.0} {} -186.558105469 -9.0947 0 {} 0 0 0 239 {} 1.57759 0.05074 0.09999 ++ {0.0} {} {} 42.36989 0.10351 0.21816 ++ {0.0} {} -55.5554885864 -2.8862 0 {} 0 0 0 240 {} 1.54636 0.04734 0.06763 ++ {0.0} {} {} 29.94715 0.18863 0.21108 ++ {0.0} {} -22.8193817139 -1.0200 0 {} 0 0 0 241 {} 1.53525 0.02163 0.04916 ++ {0.0} {} {} 25.36615 0.12858 0.13184 ++ {0.0} {} -12.7190313339 -0.8648 0 {} 0 0 0 242 {} 1.50802 0.05011 0.07851 ++ {0.0} {} {} 25.07963 0.10057 0.19825 ++ {0.0} {} -40.9028892517 -2.4074 0 {} 0 0 0 243 {} 1.46951 0.06321 0.08098 ++ {0.0} {} {} 27.37574 0.19330 0.24550 ++ {0.0} {} -33.0098381042 -1.2021 0 {} 0 0 0 244 {} 1.45883 0.03440 0.01600 ++ {0.0} {} {} 18.31672 0.03746 0.01452 ++ {0.0} {} -1.45342636108 -0.5228 0 {} 0 0 0 245 {} 1.45137 0.03275 0.02307 ++ {0.0} {} {} 18.86464 0.25672 0.15573 ++ {0.0} {} 5.80220270157 0.6354 0 {} 0 0 0 246 {} 1.45612 0.02952 0.06366 ++ {0.0} {} {} 18.51950 0.10232 0.25998 ++ {0.0} {} 86.077911377 8.0058 0 {} 0 0 0 247 {} 1.43896 0.05200 0.04680 ++ {0.0} {} {} 26.93987 0.17591 0.15777 ++ {0.0} {} 10.9224309921 0.7439 0 {} 0 0 0 248 {} 1.43669 0.06170 0.14372 ++ {0.0} {} {} 25.36541 0.15928 0.24788 ++ {0.0} {} -66.5907821655 -2.5370 0 {} 0 0 0 249 {} 1.42491 0.05073 0.07856 ++ {0.0} {} {} 24.87510 0.14350 0.22558 ++ {0.0} {} -49.6366996765 -2.1363 0 {} 0 0 0 250 {} 1.42850 0.06515 0.03259 ++ {0.0} {} {} 24.61322 0.15049 0.03541 ++ {0.0} {} 2.70447850227 0.4775 0 {} 0 0 0 251 {} 1.41805 0.03972 0.03858 ++ {0.0} {} {} 29.22945 0.15336 0.04191 ++ {0.0} {} -6.02351665497 -0.4879 0 {} 0 0 0 252 {} 1.40701 0.05778 0.10183 ++ {0.0} {} {} 25.08558 0.12002 0.24305 ++ {0.0} {} -68.5678863525 -2.7427 0 {} 0 0 0 253 {} 1.40160 0.02875 0.04104 ++ {0.0} {} {} 19.24899 0.12675 0.20001 ++ {0.0} {} 20.3038330078 1.5618 0 {} 0 0 0 254 {} 1.37458 0.04348 0.08544 ++ {0.0} {} {} 26.60542 0.16074 0.25377 ++ {0.0} {} -59.2691764832 -3.3009 0 {} 0 0 0 255 {} 1.32870 0.05226 0.10509 ++ {0.0} {} {} 24.61966 0.14713 0.28369 ++ {0.0} {} -131.656600952 -6.6346 0 {} 0 0 0 256 {} 1.32721 0.12491 0.01547 ++ {0.0} {} {} 24.41515 0.08255 0.00742 ++ {0.0} {} 1.72891068459 0.4413 0 {} 0 0 0 257 {} 1.15712 0.02036 0.02528 ++ {0.0} {} {} 21.75951 0.05505 0.06869 ++ {0.0} {} -3.48638081551 -1.1206 0 {} 0 0 0 258 {} 1.15721 0.02776 0.06155 ++ {0.0} {} {} 21.56204 0.10616 0.24816 ++ {0.0} {} 157.258789062 19.1628 0 {} 0 0 0 259 {} 1.15831 0.02883 0.05224 ++ {0.0} {} {} 21.38633 0.02232 0.03667 ++ {0.0} {} -15.5472612381 -2.3599 0 {} 0 0 0 260 {} 1.15930 0.04010 0.00328 ++ {0.0} {} {} 21.05506 0.29585 0.09225 ++ {0.0} {} -0.847741246223 -0.4346 0 {} 0 0 0 261 {} 0.98770 0.08549 0.06509 ++ {0.0} {} {} 20.10443 0.17887 0.10198 ++ {0.0} {} -12.1063632965 -0.5623 0 {} 0 0 0 262 {} 0.94512 0.01910 0.04416 ++ {0.0} {} {} 24.28061 0.14726 0.35335 ++ {0.0} {} 189.836578369 17.8952 0 {} 0 0 0 263 {} 0.93947 0.02566 0.06284 ++ {0.0} {} {} 21.13865 0.15547 0.30848 ++ {0.0} {} 286.354125977 30.6039 0 {} 0 0 0 264 {} 0.93656 0.00663 0.00767 ++ {0.0} {} {} 24.76980 0.04962 0.05734 ++ {0.0} {} 1.86178314686 0.9982 0 {} 0 0 0 265 {} 0.93346 0.00368 0.00340 ++ {0.0} {} {} 24.48866 0.02738 0.02529 ++ {0.0} {} -0.783177137375 -0.7832 0 {} 0 0 0 266 {} 0.93422 0.02324 0.02470 ++ {0.0} {} {} 21.72495 0.09490 0.10166 ++ {0.0} {} 5.44724082947 0.9075 0 {} 0 0 0 267 {} 0.93288 0.01692 0.02891 ++ {0.0} {} {} 21.46345 0.09138 0.13503 ++ {0.0} {} 9.81621837616 1.6137 0 {} 0 0 0 268 {} 0.93468 0.02364 0.03588 ++ {0.0} {} {} 20.91612 0.03468 0.05487 ++ {0.0} {} -9.41632843018 -2.0166 0 {} 0 0 0 269 {} 0.93626 0.00899 0.00937 ++ {0.0} {} {} 20.61607 0.05707 0.05946 ++ {0.0} {} -2.89325022697 -0.8798 0 {} 0 0 0 270 {} 0.93125 0.00717 0.00683 ++ {0.0} {} {} 21.35682 0.01561 0.01486 ++ {0.0} {} -1.58242058754 -0.8046 0 {} 0 0 0 271 {} 0.92972 0.00830 0.01156 ++ {0.0} {} {} 20.34086 0.01592 0.02217 ++ {0.0} {} -2.47752714157 -1.3877 0 {} 0 0 0 272 {} 0.92930 0.02036 0.02957 ++ {0.0} {} {} 19.93024 0.08982 0.13783 ++ {0.0} {} -13.8620386124 -1.8106 0 {} 0 0 0 273 {} 0.92481 0.02182 0.01936 ++ {0.0} {} {} 19.68159 0.12124 0.10803 ++ {0.0} {} -4.98334932327 -0.7601 0 {} 0 0 0 274 {} 0.91933 0.03341 0.02439 ++ {0.0} {} {} 25.66659 0.25881 0.12151 ++ {0.0} {} 6.11495923996 0.6299 0 {} 0 0 0 275 {} 0.92003 0.02553 0.08376 ++ {0.0} {} {} 25.05744 0.12108 0.26932 ++ {0.0} {} 198.688751221 17.1710 0 {} 0 0 0 276 {} 0.91907 0.00988 0.01275 ++ {0.0} {} {} 24.86694 0.01160 0.01497 ++ {0.0} {} -4.43123865128 -1.1875 0 {} 0 0 0 277 {} 0.91830 0.01611 0.01055 ++ {0.0} {} {} 23.59455 0.07931 0.05511 ++ {0.0} {} -1.2664295435 -0.6458 0 {} 0 0 0 278 {} 0.91884 0.01218 0.00010 ++ {0.0} {} {} 23.29774 0.05748 0.00046 ++ {0.0} {} -0.42313799262 -0.4231 0 {} 0 0 0 279 {} 0.92409 0.01295 0.01365 ++ {0.0} {} {} 20.78316 0.07734 0.08150 ++ {0.0} {} 3.28092813492 0.8909 0 {} 0 0 0 280 {} 0.92009 0.01128 0.01212 ++ {0.0} {} {} 20.51473 0.10812 0.11618 ++ {0.0} {} 4.17875814438 0.9107 0 {} 0 0 0 281 {} 0.91867 0.02150 0.05510 ++ {0.0} {} {} 20.13295 0.11129 0.27402 ++ {0.0} {} 264.718139648 30.2412 0 {} 0 0 0 282 {} 0.92037 0.03258 0.02070 ++ {0.0} {} {} 19.43043 0.15790 0.22558 ++ {0.0} {} -8.73185634613 -0.5847 0 {} 0 0 0 283 {} 0.91572 0.02429 0.02963 ++ {0.0} {} {} 25.37932 0.12262 0.15678 ++ {0.0} {} 8.25000572205 1.1233 0 {} 0 0 0 284 {} 0.91126 0.01373 0.01169 ++ {0.0} {} {} 24.73834 0.03239 0.02759 ++ {0.0} {} 2.31553030014 0.7342 0 {} 0 0 0 285 {} 0.91308 0.00632 0.00686 ++ {0.0} {} {} 24.29133 0.02705 0.02933 ++ {0.0} {} -1.35196256638 -0.9207 0 {} 0 0 0 286 {} 0.91339 0.02533 0.04567 ++ {0.0} {} {} 23.86526 0.05423 0.08536 ++ {0.0} {} -5.93031692505 -1.9793 0 {} 0 0 0 287 {} 0.91394 0.00946 0.01708 ++ {0.0} {} {} 23.73827 0.04895 0.03231 ++ {0.0} {} 1.62349462509 0.6291 0 {} 0 0 0 288 {} 0.90896 0.02561 0.05887 ++ {0.0} {} {} 24.07662 0.16540 0.30949 ++ {0.0} {} 184.122817993 16.3096 0 {} 0 0 0 289 {} 0.90584 0.00718 0.00758 ++ {0.0} {} {} 21.07181 0.16620 0.17206 ++ {0.0} {} -3.37116074562 -0.8932 0 {} 0 0 0 290 {} 0.86236 0.01856 0.03355 ++ {0.0} {} {} 24.24773 0.24686 0.35266 ++ {0.0} {} 17.9282493591 0.7241 0 {} 0 0 0 291 {} 0.85700 0.02653 0.06395 ++ {0.0} {} {} 23.37319 0.10703 0.29304 ++ {0.0} {} 206.972473145 21.8426 0 {} 0 0 0 292 {} 0.86209 0.02140 0.02493 ++ {0.0} {} {} 23.16517 0.02452 0.03022 ++ {0.0} {} -5.79369544983 -1.0980 0 {} 0 0 0 293 {} 0.85877 0.03120 0.00830 ++ {0.0} {} {} 22.80420 0.31319 0.06911 ++ {0.0} {} -1.74285066128 -0.4663 0 {} 0 0 0 294 {} 0.81871 0.03026 0.07218 ++ {0.0} {} {} 23.67845 0.13664 0.29527 ++ {0.0} {} 86.8082504272 6.8829 0 {} 0 0 0 295 {} 0.43369 0.02941 0.06988 ++ {0.0} {} {} 24.84465 0.10828 0.24595 ++ {0.0} {} 65.1166687012 5.9947 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 3 2 . . C 13 C-aliphatic . 'not observed' 9649.143 Hz . . . 46.153 . . 31014 3 3 . . N 15 HN . 'not observed' 1399.997 Hz . . . 119.161 . . 31014 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 31014 _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 1 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 HNCO.nv 2105.50805664 2261.51806641 1400.02099609 599.598022461 150.794006348 60.763999939 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 {} 8.04191 0.02656 0.05787 ++ {0.0} {} {} 174.75296 0.32946 0.91909 ++ {0.0} {} {} 127.27464 0.45174 1.21848 ++ {0.0} {} 351.776245117 16.8737 0 {} 0 0 0 1 {} 8.16268 0.03853 0.07206 ++ {0.0} {} {} 175.29820 0.43441 0.76717 ++ {0.0} {} {} 123.89718 0.59519 1.19870 ++ {0.0} {} 72.2358093262 3.3064 0 {} 0 0 0 2 {} 8.42797 0.03508 0.09992 ++ {0.0} {} {} 175.94400 0.34642 0.85489 ++ {0.0} {} {} 123.11307 0.70160 1.35952 ++ {0.0} {} 236.279678345 7.8303 0 {} 0 0 0 3 {} 8.36679 0.04072 0.06082 ++ {0.0} {} {} 175.14963 0.32194 0.46381 ++ {0.0} {} {} 123.21284 0.52818 0.76094 ++ {0.0} {} 46.4731063843 1.7926 0 {} 0 0 0 4 {} 8.13759 0.02834 0.06153 ++ {0.0} {} {} 175.70499 0.49727 1.06620 ++ {0.0} {} {} 122.24276 0.45782 1.15433 ++ {0.0} {} 357.940216064 9.9442 0 {} 0 0 0 5 {} 7.97704 0.03889 0.06640 ++ {0.0} {} {} 178.56520 0.44352 0.73126 ++ {0.0} {} {} 122.03990 0.64635 1.08942 ++ {0.0} {} 53.2663612366 2.4722 0 {} 0 0 0 6 {} 8.09365 0.03514 0.06320 ++ {0.0} {} {} 177.83969 0.38862 0.77270 ++ {0.0} {} {} 122.12540 0.52343 1.06396 ++ {0.0} {} 68.7321929932 3.2380 0 {} 0 0 0 7 {} 8.70778 0.04055 0.07013 ++ {0.0} {} {} 176.66490 0.37332 0.67414 ++ {0.0} {} {} 122.07170 0.61437 1.07602 ++ {0.0} {} 57.9635543823 2.4574 0 {} 0 0 0 8 {} 8.11385 0.02951 0.07103 ++ {0.0} {} {} 176.42577 0.36633 0.88545 ++ {0.0} {} {} 121.70364 0.66145 1.34187 ++ {0.0} {} 259.895141602 12.8186 0 {} 0 0 0 9 {} 8.07405 0.03031 0.02598 ++ {0.0} {} {} 175.51802 0.43937 0.35444 ++ {0.0} {} {} 121.58389 0.46851 0.37794 ++ {0.0} {} 11.0635709763 0.8402 0 {} 0 0 0 10 {} 8.54378 0.03601 0.06893 ++ {0.0} {} {} 175.26959 0.39933 0.78267 ++ {0.0} {} {} 121.51058 0.44554 0.76226 ++ {0.0} {} 85.5969161987 3.4682 0 {} 0 0 0 11 {} 8.14856 0.03196 0.06599 ++ {0.0} {} {} 178.63359 0.35793 0.84373 ++ {0.0} {} {} 120.99598 0.60530 1.25158 ++ {0.0} {} 118.682296753 5.3034 0 {} 0 0 0 12 {} 8.21537 0.03385 0.07346 ++ {0.0} {} {} 177.60931 0.39248 0.81518 ++ {0.0} {} {} 120.88560 0.52400 1.13370 ++ {0.0} {} 97.327255249 4.4105 0 {} 0 0 0 13 {} 7.99926 0.03487 0.06421 ++ {0.0} {} {} 177.62526 0.44349 0.78753 ++ {0.0} {} {} 120.82431 0.46597 0.78994 ++ {0.0} {} 72.3749542236 3.2902 0 {} 0 0 0 14 {} 8.37283 0.03237 0.06584 ++ {0.0} {} {} 176.81235 0.31807 0.69331 ++ {0.0} {} {} 120.99489 0.67923 1.29325 ++ {0.0} {} 111.414421082 4.1587 0 {} 0 0 0 15 {} 8.07016 0.04315 0.05278 ++ {0.0} {} {} 174.59401 0.44161 0.55972 ++ {0.0} {} {} 120.79435 0.44839 0.56045 ++ {0.0} {} 31.1217880249 1.3368 0 {} 0 0 0 16 {} 8.07917 0.03162 0.06803 ++ {0.0} {} {} 180.00996 0.40697 0.85299 ++ {0.0} {} {} 120.62653 0.62470 1.25945 ++ {0.0} {} 111.061645508 5.9181 0 {} 0 0 0 17 {} 8.32216 0.02848 0.05749 ++ {0.0} {} {} 178.73459 0.33610 0.75705 ++ {0.0} {} {} 120.59731 0.64010 1.22663 ++ {0.0} {} 127.466552734 4.8029 0 {} 0 0 0 18 {} 8.64014 0.04029 0.05621 ++ {0.0} {} {} 177.61464 0.40430 0.58156 ++ {0.0} {} {} 120.70532 0.50929 0.69953 ++ {0.0} {} 37.0612983704 1.6005 0 {} 0 0 0 19 {} 8.28452 0.03078 0.07511 ++ {0.0} {} {} 177.58572 0.34867 0.88620 ++ {0.0} {} {} 120.55226 0.58993 1.34240 ++ {0.0} {} 211.136642456 9.0527 0 {} 0 0 0 20 {} 8.29239 0.03369 0.07453 ++ {0.0} {} {} 176.32253 0.32678 0.81956 ++ {0.0} {} {} 120.24132 0.64968 1.28433 ++ {0.0} {} 145.195007324 6.5481 0 {} 0 0 0 21 {} 8.18428 0.03184 0.06520 ++ {0.0} {} {} 176.03793 0.37092 0.85818 ++ {0.0} {} {} 120.21772 0.62612 1.29732 ++ {0.0} {} 148.725387573 8.3203 0 {} 0 0 0 22 {} 7.89012 0.03175 0.03753 ++ {0.0} {} {} 174.86621 0.36630 0.45630 ++ {0.0} {} {} 120.09035 0.45721 0.56956 ++ {0.0} {} 22.4279556274 1.3293 0 {} 0 0 0 23 {} 8.39195 0.04378 0.08854 ++ {0.0} {} {} 178.29172 0.35966 0.82569 ++ {0.0} {} {} 119.91007 1.05596 1.78821 ++ {0.0} {} 265.123596191 5.4361 0 {} 0 0 0 24 {} 8.40084 0.04824 0.05190 ++ {0.0} {} {} 176.64793 0.36480 0.39839 ++ {0.0} {} {} 120.00022 0.48714 0.53199 ++ {0.0} {} 27.0368232727 1.1044 0 {} 0 0 0 25 {} 8.06840 0.05351 0.02187 ++ {0.0} {} {} 174.35220 0.43758 0.11133 ++ {0.0} {} {} 119.37238 0.47065 0.11974 ++ {0.0} {} 4.17141628265 0.5744 0 {} 0 0 0 26 {} 7.89119 0.02858 0.05964 ++ {0.0} {} {} 179.99112 0.44666 0.86194 ++ {0.0} {} {} 119.22041 0.55892 1.28115 ++ {0.0} {} 117.828819275 6.7505 0 {} 0 0 0 27 {} 7.92147 0.03313 0.07385 ++ {0.0} {} {} 179.03098 0.53772 0.76817 ++ {0.0} {} {} 119.22946 0.54611 1.24685 ++ {0.0} {} 165.971984863 5.4268 0 {} 0 0 0 28 {} 8.55512 0.03872 0.04963 ++ {0.0} {} {} 178.26872 0.33822 0.43396 ++ {0.0} {} {} 119.27840 0.49181 0.63103 ++ {0.0} {} 34.0466194153 1.3986 0 {} 0 0 0 29 {} 7.76958 0.02877 0.05420 ++ {0.0} {} {} 178.13684 0.61737 0.93070 ++ {0.0} {} {} 119.23010 0.54325 1.12054 ++ {0.0} {} 107.272979736 3.3196 0 {} 0 0 0 30 {} 8.20921 0.03718 0.06286 ++ {0.0} {} {} 177.90732 0.39011 0.70909 ++ {0.0} {} {} 119.10387 0.54763 0.94281 ++ {0.0} {} 51.4494285583 2.3956 0 {} 0 0 0 31 {} 8.20278 0.04565 0.04356 ++ {0.0} {} {} 178.91278 0.33078 0.31413 ++ {0.0} {} {} 118.73966 0.53665 0.50964 ++ {0.0} {} 19.4033584595 0.9546 0 {} 0 0 0 32 {} 7.95215 0.03136 0.05907 ++ {0.0} {} {} 176.45407 0.43765 0.82773 ++ {0.0} {} {} 118.94660 0.47627 1.05278 ++ {0.0} {} 98.5909957886 4.6645 0 {} 0 0 0 33 {} 8.22111 0.03809 0.08372 ++ {0.0} {} {} 174.29999 0.34533 0.77070 ++ {0.0} {} {} 118.80225 0.64642 1.22572 ++ {0.0} {} 112.847442627 4.4069 0 {} 0 0 0 34 {} 7.50838 0.03325 0.06018 ++ {0.0} {} {} 177.20920 0.37638 0.80027 ++ {0.0} {} {} 118.27074 0.44668 0.78355 ++ {0.0} {} 96.7204589844 4.0786 0 {} 0 0 0 35 {} 8.23537 0.02630 0.03757 ++ {0.0} {} {} 180.16800 0.37338 0.71831 ++ {0.0} {} {} 118.11139 0.62181 1.12319 ++ {0.0} {} 56.1298980713 2.8346 0 {} 0 0 0 36 {} 8.02136 0.03226 0.05600 ++ {0.0} {} {} 178.25537 0.32208 0.57703 ++ {0.0} {} {} 118.19620 0.49821 0.90823 ++ {0.0} {} 71.2367630005 2.9096 0 {} 0 0 0 37 {} 8.27615 0.03109 0.08981 ++ {0.0} {} {} 180.20445 0.43819 0.84110 ++ {0.0} {} {} 117.77481 0.58167 1.27253 ++ {0.0} {} 153.259552002 5.4833 0 {} 0 0 0 38 {} 7.92610 0.02721 0.05582 ++ {0.0} {} {} 179.67461 0.33095 0.74760 ++ {0.0} {} {} 117.57963 0.46359 0.96492 ++ {0.0} {} 111.770050049 4.9502 0 {} 0 0 0 39 {} 8.76518 0.03208 0.06498 ++ {0.0} {} {} 177.62590 0.43800 0.81699 ++ {0.0} {} {} 117.77636 0.56377 1.20356 ++ {0.0} {} 84.1523361206 4.2307 0 {} 0 0 0 40 {} 7.67556 0.03443 0.07505 ++ {0.0} {} {} 176.65947 0.36814 0.82652 ++ {0.0} {} {} 116.99760 0.64088 1.23814 ++ {0.0} {} 104.165184021 5.0957 0 {} 0 0 0 41 {} 8.52089 0.05953 0.00509 ++ {0.0} {} {} 177.14822 0.40702 0.01874 ++ {0.0} {} {} 116.06201 0.47521 0.02188 ++ {0.0} {} 1.02244544029 0.5132 0 {} 0 0 0 42 {} 7.41735 0.03463 0.06701 ++ {0.0} {} {} 177.02486 0.32613 0.71962 ++ {0.0} {} {} 114.88853 0.57690 1.20073 ++ {0.0} {} 92.5680389404 4.1108 0 {} 0 0 0 43 {} 8.05073 0.03385 0.06753 ++ {0.0} {} {} 178.15384 0.37681 0.80283 ++ {0.0} {} {} 114.11416 0.64036 1.18294 ++ {0.0} {} 76.2799835205 3.8155 0 {} 0 0 0 44 {} 7.50615 0.04543 0.01055 ++ {0.0} {} {} 180.25009 0.42846 0.05884 ++ {0.0} {} {} 111.59670 0.69146 0.09496 ++ {0.0} {} 1.53150892258 0.5383 0 {} 0 0 0 45 {} 6.89418 0.06971 0.02036 ++ {0.0} {} {} 180.18274 0.42100 0.14179 ++ {0.0} {} {} 111.66006 0.78632 0.26483 ++ {0.0} {} 3.86251306534 0.6029 0 {} 0 0 0 46 {} 8.41248 0.04292 0.06518 ++ {0.0} {} {} 176.84641 0.32316 0.48044 ++ {0.0} {} {} 110.44008 0.51143 0.76034 ++ {0.0} {} 50.6888999939 1.9534 0 {} 0 0 0 47 {} 8.03226 0.05004 0.03557 ++ {0.0} {} {} 177.13031 0.36434 0.23382 ++ {0.0} {} {} 108.10350 0.50440 0.32371 ++ {0.0} {} 11.2880191803 0.7382 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 4 2 . . C 13 CO . 'not observed' 2261.518 Hz . . . 174.125 . . 31014 4 3 . . N 15 HN . 'not observed' 1400.021 Hz . . . 119.161 . . 31014 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 31014 _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 6 _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 ; 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 text _Spectral_peak_list.Text_data ; NOESYTYPE 1 13C-NOESY AXISORDER 1 ChH 36.159 2.302 2.302 190773249.57 E26CG E26HG2 E26HG2 43.311 3.216 3.216 172340441.43 R53CD R53HD2 R53HD2 33.878 2.420 2.420 53895804.44 Q29CG Q29HG2 Q29HG2 42.120 2.957 2.957 40992834.23 K52CE K52HE2 K52HE2 33.708 2.479 2.479 37763541.71 Q17CG Q17HG2 Q17HG2 45.177 4.061 4.061 32194778.80 G1CA G1HA2 G1HA2 41.194 2.676 2.676 31114296.63 D3CB D3HB2 D3HB2 33.802 2.551 2.551 30696658.06 Q21CG Q21HG2 Q21HG2 50.646 3.743 3.743 28102589.03 P10CD P10HD2 P10HD2 54.612 4.626 4.626 24019478.00 D55CA D55HA D55HA 45.424 3.981 3.981 17689626.54 G47CA G47HA2 G47HA2 36.069 2.470 2.470 17212298.61 E23CG E23HG2 E23HG2 33.190 1.745 1.745 16274027.33 K52CB K52HB2 K52HB2 32.156 2.291 2.291 14850990.00 P5CB P5HB2 P5HB2 33.674 2.373 2.373 14152622.29 Q32CG Q32HG2 Q32HG2 43.536 3.143 3.143 12519877.90 R41CD R41HD2 R41HD2 32.783 1.900 1.900 10894326.00 K44CB K44HB2 K44HB2 36.634 1.923 1.923 8051228.76 E40CG E40HG2 E40HG2 32.675 1.765 1.765 7320304.73 K31CB K31HB2 K31HB2 41.194 2.594 2.594 6837306.66 D3CB D3HB3 D3HB3 42.954 2.908 2.908 6117230.81 R46CD R46HD2 R46HD2 38.807 2.987 2.987 5082743.70 Y51CB Y51HB2 Y51HB2 36.656 2.396 2.396 4150728.00 E12CG E12HG2 E12HG2 34.638 2.540 2.540 3883731.50 Q30CG Q30HG2 Q30HG2 33.236 2.719 2.719 3590460.23 M19CG M19HG2 M19HG2 62.387 4.162 4.162 3041313.31 V2CA V2HA V2HA 35.945 3.171 3.171 2920166.55 C22CB C22HB2 C22HB2 54.947 4.202 4.202 2786548.90 A11CA A11HA A11HA 63.428 4.426 4.426 2732376.51 P5CA P5HA P5HA 45.088 3.928 3.928 2499290.80 G27CA G27HA3 G27HA3 36.850 3.504 3.504 2374046.68 C18CB C18HB2 C18HB2 42.407 1.685 1.685 2224104.00 D56CB D56HB2 D56HB2 38.650 3.347 3.347 1920473.11 F36CB F36HB2 F36HB2 58.120 4.047 4.047 1656767.59 E23CA E23HA E23HA 56.942 4.088 4.088 1630187.63 R46CA R46HA R46HA 56.660 4.265 4.265 1594640.43 R53CA R53HA R53HA 39.054 3.085 3.085 1485499.62 Y42CB Y42HB2 Y42HB2 60.219 4.149 4.149 1033554.30 R35CA R35HA R35HA 59.824 4.023 4.023 999285.61 R37CA R37HA R37HA 59.468 4.113 4.113 968825.14 R20CA R20HA R20HA 69.775 4.232 4.232 923800.94 T7CB T7HB T7HB 41.187 1.846 1.846 810019.58 L15CB L15HB2 L15HB2 57.121 4.261 4.261 768134.41 E54CA E54HA E54HA 61.472 4.117 4.117 606171.30 S16CA S16HA S16HA 58.531 4.490 4.490 568962.48 S6CA S6HA S6HA 56.231 4.567 4.567 520707.81 H49CA H49HA H49HA 39.054 3.225 3.225 483920.72 Y42CB Y42HB3 Y42HB3 42.407 1.581 1.581 470306.41 D56CB D56HB3 D56HB3 36.850 3.144 3.144 444839.91 C18CB C18HB3 C18HB3 62.041 4.305 4.305 441997.51 T7CA T7HA T7HA 64.748 4.181 4.181 435661.80 P10CA P10HA P10HA 35.350 3.049 3.049 431815.47 C34CB C34HB2 C34HB2 42.245 3.108 3.108 321814.09 R35CD R35HD2 R35HD2 37.464 3.454 3.454 314582.16 C38CB C38HB2 C38HB2 58.003 4.679 4.679 286257.53 M19CA M19HA M19HA 60.933 4.249 4.249 146375.53 C18CA C18HA C18HA 35.350 3.518 3.518 130753.87 C34CB C34HB3 C34HB3 61.019 3.846 3.846 119143.11 K31CA K31HA K31HA 58.087 4.604 4.604 104705.94 H14CA H14HA H14HA ; 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 . 'not observed' 6303.663 Hz . . . 4.788 . . 31014 5 2 . . H 1 H . 'not observed' 6595.218 Hz . . . 4.788 . . 31014 5 3 . . C 13 C . aliased 3618.763 Hz . . . 67.147 . . 31014 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 31014 _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 8 _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 ; 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 text _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 HNCO.nv 2105.50805664 2261.51806641 1400.02099609 599.598022461 150.794006348 60.763999939 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 {} 8.04191 0.02656 0.05787 ++ {0.0} {} {} 174.75296 0.32946 0.91909 ++ {0.0} {} {} 127.27464 0.45174 1.21848 ++ {0.0} {} 351.776245117 16.8737 0 {} 0 0 0 1 {} 8.16268 0.03853 0.07206 ++ {0.0} {} {} 175.29820 0.43441 0.76717 ++ {0.0} {} {} 123.89718 0.59519 1.19870 ++ {0.0} {} 72.2358093262 3.3064 0 {} 0 0 0 2 {} 8.42797 0.03508 0.09992 ++ {0.0} {} {} 175.94400 0.34642 0.85489 ++ {0.0} {} {} 123.11307 0.70160 1.35952 ++ {0.0} {} 236.279678345 7.8303 0 {} 0 0 0 3 {} 8.36679 0.04072 0.06082 ++ {0.0} {} {} 175.14963 0.32194 0.46381 ++ {0.0} {} {} 123.21284 0.52818 0.76094 ++ {0.0} {} 46.4731063843 1.7926 0 {} 0 0 0 4 {} 8.13759 0.02834 0.06153 ++ {0.0} {} {} 175.70499 0.49727 1.06620 ++ {0.0} {} {} 122.24276 0.45782 1.15433 ++ {0.0} {} 357.940216064 9.9442 0 {} 0 0 0 5 {} 7.97704 0.03889 0.06640 ++ {0.0} {} {} 178.56520 0.44352 0.73126 ++ {0.0} {} {} 122.03990 0.64635 1.08942 ++ {0.0} {} 53.2663612366 2.4722 0 {} 0 0 0 6 {} 8.09365 0.03514 0.06320 ++ {0.0} {} {} 177.83969 0.38862 0.77270 ++ {0.0} {} {} 122.12540 0.52343 1.06396 ++ {0.0} {} 68.7321929932 3.2380 0 {} 0 0 0 7 {} 8.70778 0.04055 0.07013 ++ {0.0} {} {} 176.66490 0.37332 0.67414 ++ {0.0} {} {} 122.07170 0.61437 1.07602 ++ {0.0} {} 57.9635543823 2.4574 0 {} 0 0 0 8 {} 8.11385 0.02951 0.07103 ++ {0.0} {} {} 176.42577 0.36633 0.88545 ++ {0.0} {} {} 121.70364 0.66145 1.34187 ++ {0.0} {} 259.895141602 12.8186 0 {} 0 0 0 9 {} 8.07405 0.03031 0.02598 ++ {0.0} {} {} 175.51802 0.43937 0.35444 ++ {0.0} {} {} 121.58389 0.46851 0.37794 ++ {0.0} {} 11.0635709763 0.8402 0 {} 0 0 0 10 {} 8.54378 0.03601 0.06893 ++ {0.0} {} {} 175.26959 0.39933 0.78267 ++ {0.0} {} {} 121.51058 0.44554 0.76226 ++ {0.0} {} 85.5969161987 3.4682 0 {} 0 0 0 11 {} 8.14856 0.03196 0.06599 ++ {0.0} {} {} 178.63359 0.35793 0.84373 ++ {0.0} {} {} 120.99598 0.60530 1.25158 ++ {0.0} {} 118.682296753 5.3034 0 {} 0 0 0 12 {} 8.21537 0.03385 0.07346 ++ {0.0} {} {} 177.60931 0.39248 0.81518 ++ {0.0} {} {} 120.88560 0.52400 1.13370 ++ {0.0} {} 97.327255249 4.4105 0 {} 0 0 0 13 {} 7.99926 0.03487 0.06421 ++ {0.0} {} {} 177.62526 0.44349 0.78753 ++ {0.0} {} {} 120.82431 0.46597 0.78994 ++ {0.0} {} 72.3749542236 3.2902 0 {} 0 0 0 14 {} 8.37283 0.03237 0.06584 ++ {0.0} {} {} 176.81235 0.31807 0.69331 ++ {0.0} {} {} 120.99489 0.67923 1.29325 ++ {0.0} {} 111.414421082 4.1587 0 {} 0 0 0 15 {} 8.07016 0.04315 0.05278 ++ {0.0} {} {} 174.59401 0.44161 0.55972 ++ {0.0} {} {} 120.79435 0.44839 0.56045 ++ {0.0} {} 31.1217880249 1.3368 0 {} 0 0 0 16 {} 8.07917 0.03162 0.06803 ++ {0.0} {} {} 180.00996 0.40697 0.85299 ++ {0.0} {} {} 120.62653 0.62470 1.25945 ++ {0.0} {} 111.061645508 5.9181 0 {} 0 0 0 17 {} 8.32216 0.02848 0.05749 ++ {0.0} {} {} 178.73459 0.33610 0.75705 ++ {0.0} {} {} 120.59731 0.64010 1.22663 ++ {0.0} {} 127.466552734 4.8029 0 {} 0 0 0 18 {} 8.64014 0.04029 0.05621 ++ {0.0} {} {} 177.61464 0.40430 0.58156 ++ {0.0} {} {} 120.70532 0.50929 0.69953 ++ {0.0} {} 37.0612983704 1.6005 0 {} 0 0 0 19 {} 8.28452 0.03078 0.07511 ++ {0.0} {} {} 177.58572 0.34867 0.88620 ++ {0.0} {} {} 120.55226 0.58993 1.34240 ++ {0.0} {} 211.136642456 9.0527 0 {} 0 0 0 20 {} 8.29239 0.03369 0.07453 ++ {0.0} {} {} 176.32253 0.32678 0.81956 ++ {0.0} {} {} 120.24132 0.64968 1.28433 ++ {0.0} {} 145.195007324 6.5481 0 {} 0 0 0 21 {} 8.18428 0.03184 0.06520 ++ {0.0} {} {} 176.03793 0.37092 0.85818 ++ {0.0} {} {} 120.21772 0.62612 1.29732 ++ {0.0} {} 148.725387573 8.3203 0 {} 0 0 0 22 {} 7.89012 0.03175 0.03753 ++ {0.0} {} {} 174.86621 0.36630 0.45630 ++ {0.0} {} {} 120.09035 0.45721 0.56956 ++ {0.0} {} 22.4279556274 1.3293 0 {} 0 0 0 23 {} 8.39195 0.04378 0.08854 ++ {0.0} {} {} 178.29172 0.35966 0.82569 ++ {0.0} {} {} 119.91007 1.05596 1.78821 ++ {0.0} {} 265.123596191 5.4361 0 {} 0 0 0 24 {} 8.40084 0.04824 0.05190 ++ {0.0} {} {} 176.64793 0.36480 0.39839 ++ {0.0} {} {} 120.00022 0.48714 0.53199 ++ {0.0} {} 27.0368232727 1.1044 0 {} 0 0 0 25 {} 8.06840 0.05351 0.02187 ++ {0.0} {} {} 174.35220 0.43758 0.11133 ++ {0.0} {} {} 119.37238 0.47065 0.11974 ++ {0.0} {} 4.17141628265 0.5744 0 {} 0 0 0 26 {} 7.89119 0.02858 0.05964 ++ {0.0} {} {} 179.99112 0.44666 0.86194 ++ {0.0} {} {} 119.22041 0.55892 1.28115 ++ {0.0} {} 117.828819275 6.7505 0 {} 0 0 0 27 {} 7.92147 0.03313 0.07385 ++ {0.0} {} {} 179.03098 0.53772 0.76817 ++ {0.0} {} {} 119.22946 0.54611 1.24685 ++ {0.0} {} 165.971984863 5.4268 0 {} 0 0 0 28 {} 8.55512 0.03872 0.04963 ++ {0.0} {} {} 178.26872 0.33822 0.43396 ++ {0.0} {} {} 119.27840 0.49181 0.63103 ++ {0.0} {} 34.0466194153 1.3986 0 {} 0 0 0 29 {} 7.76958 0.02877 0.05420 ++ {0.0} {} {} 178.13684 0.61737 0.93070 ++ {0.0} {} {} 119.23010 0.54325 1.12054 ++ {0.0} {} 107.272979736 3.3196 0 {} 0 0 0 30 {} 8.20921 0.03718 0.06286 ++ {0.0} {} {} 177.90732 0.39011 0.70909 ++ {0.0} {} {} 119.10387 0.54763 0.94281 ++ {0.0} {} 51.4494285583 2.3956 0 {} 0 0 0 31 {} 8.20278 0.04565 0.04356 ++ {0.0} {} {} 178.91278 0.33078 0.31413 ++ {0.0} {} {} 118.73966 0.53665 0.50964 ++ {0.0} {} 19.4033584595 0.9546 0 {} 0 0 0 32 {} 7.95215 0.03136 0.05907 ++ {0.0} {} {} 176.45407 0.43765 0.82773 ++ {0.0} {} {} 118.94660 0.47627 1.05278 ++ {0.0} {} 98.5909957886 4.6645 0 {} 0 0 0 33 {} 8.22111 0.03809 0.08372 ++ {0.0} {} {} 174.29999 0.34533 0.77070 ++ {0.0} {} {} 118.80225 0.64642 1.22572 ++ {0.0} {} 112.847442627 4.4069 0 {} 0 0 0 34 {} 7.50838 0.03325 0.06018 ++ {0.0} {} {} 177.20920 0.37638 0.80027 ++ {0.0} {} {} 118.27074 0.44668 0.78355 ++ {0.0} {} 96.7204589844 4.0786 0 {} 0 0 0 35 {} 8.23537 0.02630 0.03757 ++ {0.0} {} {} 180.16800 0.37338 0.71831 ++ {0.0} {} {} 118.11139 0.62181 1.12319 ++ {0.0} {} 56.1298980713 2.8346 0 {} 0 0 0 36 {} 8.02136 0.03226 0.05600 ++ {0.0} {} {} 178.25537 0.32208 0.57703 ++ {0.0} {} {} 118.19620 0.49821 0.90823 ++ {0.0} {} 71.2367630005 2.9096 0 {} 0 0 0 37 {} 8.27615 0.03109 0.08981 ++ {0.0} {} {} 180.20445 0.43819 0.84110 ++ {0.0} {} {} 117.77481 0.58167 1.27253 ++ {0.0} {} 153.259552002 5.4833 0 {} 0 0 0 38 {} 7.92610 0.02721 0.05582 ++ {0.0} {} {} 179.67461 0.33095 0.74760 ++ {0.0} {} {} 117.57963 0.46359 0.96492 ++ {0.0} {} 111.770050049 4.9502 0 {} 0 0 0 39 {} 8.76518 0.03208 0.06498 ++ {0.0} {} {} 177.62590 0.43800 0.81699 ++ {0.0} {} {} 117.77636 0.56377 1.20356 ++ {0.0} {} 84.1523361206 4.2307 0 {} 0 0 0 40 {} 7.67556 0.03443 0.07505 ++ {0.0} {} {} 176.65947 0.36814 0.82652 ++ {0.0} {} {} 116.99760 0.64088 1.23814 ++ {0.0} {} 104.165184021 5.0957 0 {} 0 0 0 41 {} 8.52089 0.05953 0.00509 ++ {0.0} {} {} 177.14822 0.40702 0.01874 ++ {0.0} {} {} 116.06201 0.47521 0.02188 ++ {0.0} {} 1.02244544029 0.5132 0 {} 0 0 0 42 {} 7.41735 0.03463 0.06701 ++ {0.0} {} {} 177.02486 0.32613 0.71962 ++ {0.0} {} {} 114.88853 0.57690 1.20073 ++ {0.0} {} 92.5680389404 4.1108 0 {} 0 0 0 43 {} 8.05073 0.03385 0.06753 ++ {0.0} {} {} 178.15384 0.37681 0.80283 ++ {0.0} {} {} 114.11416 0.64036 1.18294 ++ {0.0} {} 76.2799835205 3.8155 0 {} 0 0 0 44 {} 7.50615 0.04543 0.01055 ++ {0.0} {} {} 180.25009 0.42846 0.05884 ++ {0.0} {} {} 111.59670 0.69146 0.09496 ++ {0.0} {} 1.53150892258 0.5383 0 {} 0 0 0 45 {} 6.89418 0.06971 0.02036 ++ {0.0} {} {} 180.18274 0.42100 0.14179 ++ {0.0} {} {} 111.66006 0.78632 0.26483 ++ {0.0} {} 3.86251306534 0.6029 0 {} 0 0 0 46 {} 8.41248 0.04292 0.06518 ++ {0.0} {} {} 176.84641 0.32316 0.48044 ++ {0.0} {} {} 110.44008 0.51143 0.76034 ++ {0.0} {} 50.6888999939 1.9534 0 {} 0 0 0 47 {} 8.03226 0.05004 0.03557 ++ {0.0} {} {} 177.13031 0.36434 0.23382 ++ {0.0} {} {} 108.10350 0.50440 0.32371 ++ {0.0} {} 11.2880191803 0.7382 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 . 'not observed' 2405.85888672 Hz . . . 4.78800010681 . . 31014 6 2 . . H 1 H . 'not observed' 6595.21777344 Hz . . . 4.78800010681 . . 31014 6 3 . . N 15 HN . 'not observed' 1399.99597168 Hz . . . 119.161 . . 31014 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 31014 _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 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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 gc_co_nh.nv 2105.50805664 9649.14257813 1399.99694824 599.598022461 150.774993896 60.763999939 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 {} 8.01446 0.02187 0.00754 ++ {0.0} {} {} 55.71609 0.77703 0.26932 ++ {0.0} {} {} 130.27061 0.67235 0.23304 ++ {0.0} {} 0.0800807401538 0.0422 0 {} 0 0 0 1 {} 8.01021 0.02118 0.02535 ++ {0.0} {} {} 33.76466 0.70304 0.87924 ++ {0.0} {} {} 130.22974 0.43013 0.53793 ++ {0.0} {} 1.05160570145 0.0931 0 {} 0 0 0 2 {} 8.08834 0.02708 0.02789 ++ {0.0} {} {} 33.86407 0.69214 0.72003 ++ {0.0} {} {} 127.78467 0.68432 0.71141 ++ {0.0} {} 0.966268599033 0.0727 0 {} 0 0 0 3 {} 8.03960 0.02952 0.07528 ++ {0.0} {} {} 43.32678 0.78597 1.12281 ++ {0.0} {} {} 127.26253 0.44838 1.33178 ++ {0.0} {} 122.582878113 5.5452 0 {} 0 0 0 4 {} 7.91686 0.05593 0.00828 ++ {0.0} {} {} 43.27444 0.91595 0.16857 ++ {0.0} {} {} 127.44852 0.68049 0.12524 ++ {0.0} {} 0.103548154235 0.0384 0 {} 0 0 0 5 {} 8.03380 0.02823 0.02894 ++ {0.0} {} {} 38.46776 0.68167 0.70655 ++ {0.0} {} {} 127.29426 0.48294 0.50057 ++ {0.0} {} 1.01072955132 0.0724 0 {} 0 0 0 6 {} 7.77420 0.02689 0.03140 ++ {0.0} {} {} 38.66272 0.97442 1.19288 ++ {0.0} {} {} 127.36326 0.56134 0.68328 ++ {0.0} {} 1.31259632111 0.0891 0 {} 0 0 0 7 {} 8.03958 0.02964 0.07497 ++ {0.0} {} {} 26.76371 0.70784 1.88441 ++ {0.0} {} {} 127.26380 0.44804 1.31153 ++ {0.0} {} 60.9101982117 3.2074 0 {} 0 0 0 8 {} 8.04004 0.02964 0.06770 ++ {0.0} {} {} 55.72654 1.01098 1.79800 ++ {0.0} {} {} 127.25377 0.47423 1.47852 ++ {0.0} {} 29.6762275696 1.4275 0 {} 0 0 0 9 {} 8.03390 0.02769 0.04508 ++ {0.0} {} {} 36.19504 0.82028 1.59989 ++ {0.0} {} {} 127.05419 0.70961 1.29400 ++ {0.0} {} 4.03015518188 0.3020 0 {} 0 0 0 10 {} 8.04056 0.02909 0.07001 ++ {0.0} {} {} 31.31109 0.76911 1.09873 ++ {0.0} {} {} 127.26045 0.47130 1.53172 ++ {0.0} {} 58.5543365479 2.7492 0 {} 0 0 0 11 {} 7.97688 0.02819 0.03442 ++ {0.0} {} {} 33.76745 0.72359 0.91507 ++ {0.0} {} {} 125.77760 0.46788 0.59169 ++ {0.0} {} 1.39619374275 0.0948 0 {} 0 0 0 12 {} 7.85361 0.03843 0.05203 ++ {0.0} {} {} 45.63586 0.94444 1.49766 ++ {0.0} {} {} 124.56918 0.66787 1.08238 ++ {0.0} {} 3.17288446426 0.1559 0 {} 0 0 0 13 {} 7.94728 0.02552 0.05022 ++ {0.0} {} {} 45.38217 0.64106 1.56597 ++ {0.0} {} {} 124.59537 0.63247 1.32898 ++ {0.0} {} 10.4560985565 0.5312 0 {} 0 0 0 14 {} 8.47885 0.04128 0.03757 ++ {0.0} {} {} 50.64940 0.95981 0.81980 ++ {0.0} {} {} 124.17870 0.72212 0.61679 ++ {0.0} {} 1.27443897724 0.0609 0 {} 0 0 0 15 {} 8.47193 0.03999 0.04824 ++ {0.0} {} {} 27.47775 0.72962 0.96691 ++ {0.0} {} {} 124.21883 0.70824 0.94571 ++ {0.0} {} 2.66867423058 0.1034 0 {} 0 0 0 16 {} 8.15978 0.03957 0.08248 ++ {0.0} {} {} 58.04317 0.59632 1.08785 ++ {0.0} {} {} 123.90076 0.56479 1.26210 ++ {0.0} {} 8.71628952026 0.3969 0 {} 0 0 0 17 {} 8.16133 0.03968 0.12653 ++ {0.0} {} {} 38.73717 0.87812 1.25445 ++ {0.0} {} {} 123.89769 0.58635 1.41839 ++ {0.0} {} 69.1116638184 2.4788 0 {} 0 0 0 18 {} 8.40030 0.03910 0.09977 ++ {0.0} {} {} 56.03294 0.76110 1.75916 ++ {0.0} {} {} 123.51245 0.61600 1.24690 ++ {0.0} {} 9.7778377533 0.3864 0 {} 0 0 0 19 {} 8.40031 0.04010 0.09385 ++ {0.0} {} {} 42.11992 0.99197 1.90648 ++ {0.0} {} {} 123.52484 0.58959 1.29925 ++ {0.0} {} 15.704536438 0.6138 0 {} 0 0 0 20 {} 8.15673 0.06254 0.21682 ++ {0.0} {} {} 30.68511 1.02113 1.45876 ++ {0.0} {} {} 123.39011 0.47856 1.19790 ++ {0.0} {} 42.4553833008 0.9441 0 {} 0 0 0 21 {} 8.40085 0.04261 0.12062 ++ {0.0} {} {} 29.10803 0.86667 1.92344 ++ {0.0} {} {} 123.52325 0.60103 1.35960 ++ {0.0} {} 35.5530853271 1.0641 0 {} 0 0 0 22 {} 8.40114 0.04130 0.09130 ++ {0.0} {} {} 24.61347 1.00878 1.95979 ++ {0.0} {} {} 123.52714 0.58804 1.30248 ++ {0.0} {} 16.8042201996 0.6207 0 {} 0 0 0 23 {} 8.42606 0.03523 0.09082 ++ {0.0} {} {} 62.57737 1.02085 1.45836 ++ {0.0} {} {} 123.08867 0.61874 1.33841 ++ {0.0} {} 25.4933128357 0.9984 0 {} 0 0 0 24 {} 8.53366 0.04094 0.01893 ++ {0.0} {} {} 43.35036 0.68714 0.23632 ++ {0.0} {} {} 123.04504 0.55975 0.19251 ++ {0.0} {} 0.283296078444 0.0421 0 {} 0 0 0 25 {} 8.42599 0.03540 0.10823 ++ {0.0} {} {} 32.65072 0.94272 1.49870 ++ {0.0} {} {} 123.09488 0.65342 1.52355 ++ {0.0} {} 80.2809066772 2.9279 0 {} 0 0 0 26 {} 8.36526 0.04299 0.14458 ++ {0.0} {} {} 31.12471 1.02511 1.75929 ++ {0.0} {} {} 123.21220 0.53396 1.45140 ++ {0.0} {} 76.8628158569 1.6085 0 {} 0 0 0 27 {} 8.42655 0.03502 0.09572 ++ {0.0} {} {} 20.30700 0.57874 1.81888 ++ {0.0} {} {} 123.08732 0.62452 1.43720 ++ {0.0} {} 58.5962562561 1.4770 0 {} 0 0 0 28 {} 8.42720 0.02353 0.00598 ++ {0.0} {} {} 15.76502 0.76581 0.34349 ++ {0.0} {} {} 123.12027 0.76752 0.16336 ++ {0.0} {} 0.140506386757 0.0390 0 {} 0 0 0 29 {} 8.15149 0.02999 0.07425 ++ {0.0} {} {} 56.62354 0.94250 1.94122 ++ {0.0} {} {} 122.70146 0.54400 1.37617 ++ {0.0} {} 37.2190208435 2.0903 0 {} 0 0 0 30 {} 8.56368 0.03614 0.02471 ++ {0.0} {} {} 36.28968 0.76232 0.41953 ++ {0.0} {} {} 122.71357 0.63479 0.34935 ++ {0.0} {} 0.513257205486 0.0481 0 {} 0 0 0 31 {} 8.31500 0.02215 0.02653 ++ {0.0} {} {} 36.21841 0.80322 0.99896 ++ {0.0} {} {} 122.90978 0.43461 0.54052 ++ {0.0} {} 1.16988921165 0.0922 0 {} 0 0 0 32 {} 8.15163 0.02945 0.08191 ++ {0.0} {} {} 36.25239 0.80157 1.14510 ++ {0.0} {} {} 122.70538 0.55897 1.45071 ++ {0.0} {} 119.002410889 5.8714 0 {} 0 0 0 33 {} 8.58741 0.04036 0.04537 ++ {0.0} {} {} 33.74851 0.83764 0.95933 ++ {0.0} {} {} 122.65597 0.52503 0.60131 ++ {0.0} {} 1.70448243618 0.0816 0 {} 0 0 0 34 {} 8.14771 0.02863 0.01323 ++ {0.0} {} {} 76.98165 0.90288 0.44883 ++ {0.0} {} {} 122.43404 0.80169 0.39783 ++ {0.0} {} 0.3261269629 0.0464 0 {} 0 0 0 35 {} 7.72728 0.02672 0.00941 ++ {0.0} {} {} 54.26361 0.76522 0.23030 ++ {0.0} {} {} 122.27356 0.47886 0.14412 ++ {0.0} {} 0.151089981198 0.0411 0 {} 0 0 0 36 {} 8.22861 0.04335 0.06193 ++ {0.0} {} {} 41.23195 1.03634 1.41942 ++ {0.0} {} {} 122.32983 0.59053 0.76560 ++ {0.0} {} 3.93049430847 0.0991 0 {} 0 0 0 37 {} 7.97488 0.03530 0.07305 ++ {0.0} {} {} 59.19644 0.88506 1.77877 ++ {0.0} {} {} 122.03977 0.66079 1.28899 ++ {0.0} {} 8.79941940308 0.3931 0 {} 0 0 0 38 {} 8.70465 0.04049 0.08235 ++ {0.0} {} {} 56.46742 0.74965 1.75822 ++ {0.0} {} {} 122.07693 0.61532 1.23158 ++ {0.0} {} 8.95422267914 0.2951 0 {} 0 0 0 39 {} 8.25315 0.03857 0.02942 ++ {0.0} {} {} 56.72424 0.94947 0.57828 ++ {0.0} {} {} 122.09377 0.99050 0.65917 ++ {0.0} {} 0.8976303339 0.0501 0 {} 0 0 0 40 {} 8.13458 0.03790 0.12713 ++ {0.0} {} {} 54.30779 0.64513 1.84931 ++ {0.0} {} {} 122.20110 0.79462 2.11035 ++ {0.0} {} 213.394241333 5.9213 0 {} 0 0 0 41 {} 8.70544 0.03707 0.12353 ++ {0.0} {} {} 43.31146 0.79172 2.04958 ++ {0.0} {} {} 122.07171 0.62273 1.36789 ++ {0.0} {} 40.4319839478 1.3196 0 {} 0 0 0 42 {} 8.13366 0.04460 0.13793 ++ {0.0} {} {} 41.13549 1.20403 1.72004 ++ {0.0} {} {} 122.18931 0.80811 2.07687 ++ {0.0} {} 173.146575928 3.9766 0 {} 0 0 0 43 {} 7.97484 0.03467 0.08907 ++ {0.0} {} {} 36.65644 0.93813 1.89064 ++ {0.0} {} {} 122.03800 0.63821 1.32616 ++ {0.0} {} 18.9753704071 0.8768 0 {} 0 0 0 44 {} 8.25309 0.04158 0.05801 ++ {0.0} {} {} 36.23452 0.82114 1.40600 ++ {0.0} {} {} 121.99507 0.83160 1.18800 ++ {0.0} {} 7.65221595764 0.1437 0 {} 0 0 0 45 {} 8.70532 0.03680 0.09432 ++ {0.0} {} {} 30.92362 0.68609 1.74286 ++ {0.0} {} {} 122.07084 0.62008 1.30674 ++ {0.0} {} 17.2540035248 0.5849 0 {} 0 0 0 46 {} 8.09173 0.03660 0.10178 ++ {0.0} {} {} 29.70873 0.93971 1.95407 ++ {0.0} {} {} 122.11726 0.54073 1.35599 ++ {0.0} {} 18.7264347076 0.8478 0 {} 0 0 0 47 {} 8.70525 0.03894 0.10559 ++ {0.0} {} {} 27.17336 0.87646 1.80907 ++ {0.0} {} {} 122.07503 0.62121 1.35404 ++ {0.0} {} 20.3197841644 0.8465 0 {} 0 0 0 48 {} 8.01377 0.03170 0.03594 ++ {0.0} {} {} 24.91840 0.62924 0.75972 ++ {0.0} {} {} 122.07448 0.72981 0.90230 ++ {0.0} {} 1.4840849638 0.0880 0 {} 0 0 0 49 {} 8.54048 0.03497 0.08570 ++ {0.0} {} {} 55.65067 0.97000 1.90252 ++ {0.0} {} {} 121.51332 0.47552 1.23922 ++ {0.0} {} 16.4600696564 0.5781 0 {} 0 0 0 50 {} 8.11152 0.02712 0.08505 ++ {0.0} {} {} 54.58065 0.74121 1.86502 ++ {0.0} {} {} 121.71579 0.63898 1.54431 ++ {0.0} {} 198.485610962 5.4991 0 {} 0 0 0 51 {} 8.11127 0.02837 0.08686 ++ {0.0} {} {} 41.16719 1.20292 1.71846 ++ {0.0} {} {} 121.72731 0.63295 1.51677 ++ {0.0} {} 162.665603638 3.3061 0 {} 0 0 0 52 {} 8.07157 0.03137 0.05605 ++ {0.0} {} {} 36.27844 0.77829 1.86775 ++ {0.0} {} {} 121.58424 0.49208 1.12446 ++ {0.0} {} 9.92663764954 0.4969 0 {} 0 0 0 53 {} 8.54115 0.03353 0.15906 ++ {0.0} {} {} 33.99659 0.69780 1.78044 ++ {0.0} {} {} 121.51173 0.46350 1.33690 ++ {0.0} {} 42.0174560547 1.2170 0 {} 0 0 0 54 {} 8.23652 0.07466 0.15441 ++ {0.0} {} {} 62.04982 0.82053 1.56495 ++ {0.0} {} {} 121.44412 0.50905 0.91363 ++ {0.0} {} 10.759390831 0.1870 0 {} 0 0 0 55 {} 8.16911 0.01578 0.02254 ++ {0.0} {} {} 62.04112 0.88230 0.49324 ++ {0.0} {} {} 121.43495 0.54084 0.30235 ++ {0.0} {} 0.705405652523 0.0484 0 {} 0 0 0 56 {} 8.33914 0.03733 0.09157 ++ {0.0} {} {} 59.11995 0.98097 1.87768 ++ {0.0} {} {} 121.32052 0.65865 1.32713 ++ {0.0} {} 22.3682613373 0.6036 0 {} 0 0 0 57 {} 8.23424 0.03812 0.03328 ++ {0.0} {} {} 59.07952 0.86030 0.20166 ++ {0.0} {} {} 121.35089 0.83073 0.19637 ++ {0.0} {} 0.208794608712 0.0395 0 {} 0 0 0 58 {} 8.21272 0.02844 0.02035 ++ {0.0} {} {} 45.18386 1.12531 0.69584 ++ {0.0} {} {} 121.34904 0.19478 0.12026 ++ {0.0} {} 0.381932526827 0.0504 0 {} 0 0 0 59 {} 8.34027 0.03759 0.31426 ++ {0.0} {} {} 33.70795 0.97580 1.95792 ++ {0.0} {} {} 121.31277 0.65897 1.47355 ++ {0.0} {} 71.6883926392 1.5014 0 {} 0 0 0 60 {} 8.23772 0.04734 0.06763 ++ {0.0} {} {} 33.71290 0.94531 1.34934 ++ {0.0} {} {} 121.20791 0.52458 0.70432 ++ {0.0} {} 4.2324962616 0.1061 0 {} 0 0 0 61 {} 8.24058 0.05513 0.07567 ++ {0.0} {} {} 21.53954 0.81357 1.13457 ++ {0.0} {} {} 121.47887 0.47539 0.65314 ++ {0.0} {} 3.53013014793 0.1114 0 {} 0 0 0 62 {} 7.99703 0.03599 0.13487 ++ {0.0} {} {} 61.79274 0.72874 1.90693 ++ {0.0} {} {} 120.80849 0.46448 1.26469 ++ {0.0} {} 34.9251861572 1.1715 0 {} 0 0 0 63 {} 8.14635 0.03595 0.08416 ++ {0.0} {} {} 59.21235 1.00574 1.77379 ++ {0.0} {} {} 121.09747 0.61611 1.47178 ++ {0.0} {} 27.9221858978 0.7365 0 {} 0 0 0 64 {} 8.21301 0.03040 0.06253 ++ {0.0} {} {} 57.25716 0.64739 1.30000 ++ {0.0} {} {} 120.87281 0.53697 1.23475 ++ {0.0} {} 7.11283349991 0.3288 0 {} 0 0 0 65 {} 8.06744 0.04890 0.20788 ++ {0.0} {} {} 53.09959 0.76332 1.76378 ++ {0.0} {} {} 120.78619 0.44807 1.19108 ++ {0.0} {} 46.9476242065 1.0921 0 {} 0 0 0 66 {} 8.06679 0.04598 0.10863 ++ {0.0} {} {} 38.70321 1.35028 1.92897 ++ {0.0} {} {} 120.78888 0.43806 0.86219 ++ {0.0} {} 18.3509922028 0.4315 0 {} 0 0 0 67 {} 8.21282 0.03139 0.08388 ++ {0.0} {} {} 37.32210 0.77437 2.01085 ++ {0.0} {} {} 120.88284 0.53486 1.35298 ++ {0.0} {} 23.1273174286 0.7780 0 {} 0 0 0 68 {} 8.37098 0.02765 0.07173 ++ {0.0} {} {} 35.24654 0.84768 1.21097 ++ {0.0} {} {} 120.99240 0.62489 1.36942 ++ {0.0} {} 28.1203651428 1.2444 0 {} 0 0 0 69 {} 8.14634 0.03380 0.12775 ++ {0.0} {} {} 33.67436 0.95659 1.38145 ++ {0.0} {} {} 120.98567 0.68331 1.40763 ++ {0.0} {} 64.4044189453 2.1250 0 {} 0 0 0 70 {} 8.63717 0.03525 0.06172 ++ {0.0} {} {} 64.81064 0.76975 1.50550 ++ {0.0} {} {} 120.71579 0.50296 0.91293 ++ {0.0} {} 5.72269916534 0.2008 0 {} 0 0 0 71 {} 8.07645 0.02832 0.07012 ++ {0.0} {} {} 58.09810 0.88294 1.87371 ++ {0.0} {} {} 120.62250 0.65641 1.32439 ++ {0.0} {} 12.3566970825 0.6111 0 {} 0 0 0 72 {} 8.28167 0.02755 0.06894 ++ {0.0} {} {} 55.58139 0.76209 1.08870 ++ {0.0} {} {} 120.55968 0.61050 1.39326 ++ {0.0} {} 26.8302078247 1.5004 0 {} 0 0 0 73 {} 8.63698 0.03306 0.05418 ++ {0.0} {} {} 50.64598 1.05199 1.62430 ++ {0.0} {} {} 120.72401 0.51547 0.84817 ++ {0.0} {} 4.20048427582 0.1624 0 {} 0 0 0 74 {} 8.32062 0.03193 0.06202 ++ {0.0} {} {} 43.96863 0.73061 1.76238 ++ {0.0} {} {} 120.59392 0.64282 1.29732 ++ {0.0} {} 12.1600379944 0.5204 0 {} 0 0 0 75 {} 8.28147 0.02884 0.09406 ++ {0.0} {} {} 42.32434 0.78123 1.11604 ++ {0.0} {} {} 120.56049 0.62403 1.54138 ++ {0.0} {} 57.3800392151 2.2943 0 {} 0 0 0 76 {} 8.07712 0.02746 0.06666 ++ {0.0} {} {} 33.23644 0.85691 1.22416 ++ {0.0} {} {} 120.62853 0.63526 1.35828 ++ {0.0} {} 19.5562953949 0.9554 0 {} 0 0 0 77 {} 8.63787 0.03943 0.07037 ++ {0.0} {} {} 31.86550 0.70955 1.27875 ++ {0.0} {} {} 120.70186 0.51811 0.94299 ++ {0.0} {} 5.97512483597 0.1899 0 {} 0 0 0 78 {} 7.96234 0.03301 0.04534 ++ {0.0} {} {} 30.82690 0.76274 1.02447 ++ {0.0} {} {} 120.77910 0.47508 0.63810 ++ {0.0} {} 2.38366889954 0.1062 0 {} 0 0 0 79 {} 8.32789 0.03552 0.07045 ++ {0.0} {} {} 29.05212 1.00255 1.43222 ++ {0.0} {} {} 120.45736 0.46829 1.17387 ++ {0.0} {} 19.4664039612 0.7004 0 {} 0 0 0 80 {} 8.63803 0.04050 0.08296 ++ {0.0} {} {} 27.70049 0.85309 1.71848 ++ {0.0} {} {} 120.70757 0.52136 1.22331 ++ {0.0} {} 8.63569164276 0.3252 0 {} 0 0 0 81 {} 8.28194 0.02776 0.06730 ++ {0.0} {} {} 27.06983 0.83238 1.87054 ++ {0.0} {} {} 120.54913 0.60940 1.41762 ++ {0.0} {} 19.0728473663 0.8916 0 {} 0 0 0 82 {} 8.28192 0.02765 0.07456 ++ {0.0} {} {} 25.08416 1.00885 1.86445 ++ {0.0} {} {} 120.55781 0.62927 1.45219 ++ {0.0} {} 42.2383460999 1.7764 0 {} 0 0 0 83 {} 8.28130 0.02854 0.07099 ++ {0.0} {} {} 23.34957 0.70370 1.94844 ++ {0.0} {} {} 120.55448 0.62379 1.54690 ++ {0.0} {} 32.0484542847 1.3742 0 {} 0 0 0 84 {} 8.40013 0.03437 0.08889 ++ {0.0} {} {} 59.15768 0.96071 1.87562 ++ {0.0} {} {} 120.20175 0.59438 1.31544 ++ {0.0} {} 18.5007762909 0.7089 0 {} 0 0 0 85 {} 8.29006 0.03495 0.11304 ++ {0.0} {} {} 57.15529 0.93853 1.34075 ++ {0.0} {} {} 120.23534 0.65748 1.38166 ++ {0.0} {} 42.9871482849 1.9154 0 {} 0 0 0 86 {} 8.59194 0.02438 0.00212 ++ {0.0} {} {} 54.58651 0.79072 0.04786 ++ {0.0} {} {} 120.21413 0.60647 0.03671 ++ {0.0} {} 0.0359625555575 0.0360 0 {} 0 0 0 87 {} 8.18222 0.03321 0.15767 ++ {0.0} {} {} 54.57609 0.73323 1.86135 ++ {0.0} {} {} 120.21069 0.61794 1.46313 ++ {0.0} {} 80.8096313477 4.1962 0 {} 0 0 0 88 {} 7.88794 0.03245 0.06598 ++ {0.0} {} {} 54.37884 0.60757 1.33403 ++ {0.0} {} {} 120.08344 0.45686 1.05738 ++ {0.0} {} 11.9503507614 0.5337 0 {} 0 0 0 89 {} 8.18174 0.03351 0.13455 ++ {0.0} {} {} 41.18356 1.15436 1.64909 ++ {0.0} {} {} 120.20860 0.62084 1.46804 ++ {0.0} {} 81.7804107666 3.2558 0 {} 0 0 0 90 {} 7.88689 0.03394 0.06070 ++ {0.0} {} {} 41.21725 1.22284 1.98176 ++ {0.0} {} {} 120.06466 0.44858 0.86113 ++ {0.0} {} 12.5716953278 0.3415 0 {} 0 0 0 91 {} 8.29039 0.03442 0.11619 ++ {0.0} {} {} 36.30060 0.75252 1.07503 ++ {0.0} {} {} 120.23485 0.64877 1.38823 ++ {0.0} {} 103.045692444 4.6108 0 {} 0 0 0 92 {} 8.40066 0.03525 0.20684 ++ {0.0} {} {} 34.04996 0.76476 1.81000 ++ {0.0} {} {} 120.19571 0.58642 1.45952 ++ {0.0} {} 71.4880905151 1.5542 0 {} 0 0 0 93 {} 8.40051 0.04596 0.09977 ++ {0.0} {} {} 63.28293 0.74121 1.59680 ++ {0.0} {} {} 119.99260 0.50244 1.10618 ++ {0.0} {} 9.84757328033 0.3015 0 {} 0 0 0 94 {} 8.39984 0.04600 0.11113 ++ {0.0} {} {} 50.57747 0.89564 1.85589 ++ {0.0} {} {} 119.99458 0.50271 1.18925 ++ {0.0} {} 13.1642112732 0.3795 0 {} 0 0 0 95 {} 8.40021 0.04788 0.13771 ++ {0.0} {} {} 32.06746 0.85026 1.21466 ++ {0.0} {} {} 120.00871 0.48442 1.16776 ++ {0.0} {} 20.2314281464 0.4680 0 {} 0 0 0 96 {} 8.39983 0.04685 0.13194 ++ {0.0} {} {} 27.31442 0.67872 1.66127 ++ {0.0} {} {} 119.99129 0.50956 1.31489 ++ {0.0} {} 20.4902038574 0.5786 0 {} 0 0 0 97 {} 8.38828 0.03927 0.04134 ++ {0.0} {} {} 60.92133 0.50031 0.53976 ++ {0.0} {} {} 119.65065 0.49910 0.53845 ++ {0.0} {} 1.41741359234 0.0757 0 {} 0 0 0 98 {} 8.06651 0.06051 0.20295 ++ {0.0} {} {} 45.59196 0.81927 1.86523 ++ {0.0} {} {} 119.38427 0.47873 1.31080 ++ {0.0} {} 45.1793518066 0.9000 0 {} 0 0 0 99 {} 7.87288 0.04050 0.03904 ++ {0.0} {} {} 39.00353 0.72279 0.68183 ++ {0.0} {} {} 119.40568 0.53559 0.50524 ++ {0.0} {} 1.01531970501 0.0660 0 {} 0 0 0 100 {} 8.38529 0.03478 0.08996 ++ {0.0} {} {} 38.61184 0.98071 1.70777 ++ {0.0} {} {} 119.64311 0.50672 1.52059 ++ {0.0} {} 45.7861862183 1.9128 0 {} 0 0 0 101 {} 8.02549 0.01354 0.01500 ++ {0.0} {} {} 59.15809 1.30254 0.49406 ++ {0.0} {} {} 119.16917 0.67357 0.25247 ++ {0.0} {} 0.187144637108 0.0429 0 {} 0 0 0 102 {} 7.91775 0.04612 0.13053 ++ {0.0} {} {} 59.18516 1.06323 1.51890 ++ {0.0} {} {} 119.22260 0.56576 1.32829 ++ {0.0} {} 30.1828193665 0.8258 0 {} 0 0 0 103 {} 7.76855 0.03481 0.07525 ++ {0.0} {} {} 59.07973 0.87137 1.85704 ++ {0.0} {} {} 119.21330 0.58301 1.30486 ++ {0.0} {} 11.313996315 0.4744 0 {} 0 0 0 104 {} 8.55169 0.04451 0.09531 ++ {0.0} {} {} 58.75261 0.77394 1.71439 ++ {0.0} {} {} 119.25966 0.50403 1.16870 ++ {0.0} {} 10.8115081787 0.3656 0 {} 0 0 0 105 {} 8.20628 0.03317 0.06948 ++ {0.0} {} {} 58.20894 0.87933 1.70203 ++ {0.0} {} {} 119.10216 0.56472 1.28962 ++ {0.0} {} 11.0903625488 0.4291 0 {} 0 0 0 106 {} 7.76820 0.03219 0.07239 ++ {0.0} {} {} 43.53633 0.79617 1.85785 ++ {0.0} {} {} 119.21887 0.58226 1.36067 ++ {0.0} {} 17.7568454742 0.7066 0 {} 0 0 0 107 {} 7.88943 0.03130 0.08885 ++ {0.0} {} {} 43.36520 0.75641 1.08058 ++ {0.0} {} {} 119.20829 0.59223 1.38251 ++ {0.0} {} 28.5729637146 1.2016 0 {} 0 0 0 108 {} 7.92133 0.03362 0.11466 ++ {0.0} {} {} 41.65977 0.96670 1.94716 ++ {0.0} {} {} 119.15207 0.64955 1.35682 ++ {0.0} {} 29.6647624969 1.0773 0 {} 0 0 0 109 {} 8.20726 0.03256 0.13513 ++ {0.0} {} {} 36.58830 0.81391 1.70404 ++ {0.0} {} {} 119.10878 0.56304 1.34283 ++ {0.0} {} 32.9687919617 1.2337 0 {} 0 0 0 110 {} 8.02049 0.02068 0.03363 ++ {0.0} {} {} 36.65672 0.97535 0.75271 ++ {0.0} {} {} 119.29638 0.52836 0.40775 ++ {0.0} {} 1.03866422176 0.0568 0 {} 0 0 0 111 {} 7.91988 0.02991 0.10411 ++ {0.0} {} {} 36.63368 0.92017 1.89197 ++ {0.0} {} {} 119.22607 0.55754 1.39120 ++ {0.0} {} 41.1816215515 1.9171 0 {} 0 0 0 112 {} 7.92114 0.03214 0.04383 ++ {0.0} {} {} 34.76502 0.97466 1.40520 ++ {0.0} {} {} 119.16669 0.64889 0.88313 ++ {0.0} {} 2.61480808258 0.1078 0 {} 0 0 0 113 {} 8.55277 0.04261 0.12483 ++ {0.0} {} {} 33.87846 0.70440 2.06717 ++ {0.0} {} {} 119.26457 0.50839 1.38983 ++ {0.0} {} 34.1918106079 1.0323 0 {} 0 0 0 114 {} 7.76951 0.03640 0.06698 ++ {0.0} {} {} 32.55661 0.74445 1.52085 ++ {0.0} {} {} 119.19910 0.59092 1.15503 ++ {0.0} {} 5.51019763947 0.2505 0 {} 0 0 0 115 {} 7.88899 0.03010 0.05766 ++ {0.0} {} {} 29.93443 0.67556 1.73871 ++ {0.0} {} {} 119.22131 0.55525 1.29208 ++ {0.0} {} 11.4606981277 0.5700 0 {} 0 0 0 116 {} 7.77012 0.03809 0.09115 ++ {0.0} {} {} 29.77002 0.92385 1.98034 ++ {0.0} {} {} 119.19927 0.60763 1.32297 ++ {0.0} {} 17.0004024506 0.6061 0 {} 0 0 0 117 {} 7.89029 0.03354 0.07613 ++ {0.0} {} {} 27.60855 0.81933 1.81217 ++ {0.0} {} {} 119.21323 0.57517 1.34950 ++ {0.0} {} 21.1938228607 0.8685 0 {} 0 0 0 118 {} 7.76789 0.03310 0.06790 ++ {0.0} {} {} 27.31795 0.66969 0.95671 ++ {0.0} {} {} 119.22678 0.56576 1.31259 ++ {0.0} {} 9.78959941864 0.4390 0 {} 0 0 0 119 {} 7.76915 0.03400 0.06757 ++ {0.0} {} {} 25.38354 0.77667 1.55745 ++ {0.0} {} {} 119.19664 0.61924 1.16019 ++ {0.0} {} 5.86328077316 0.2138 0 {} 0 0 0 120 {} 7.92151 0.03336 0.09696 ++ {0.0} {} {} 24.19436 1.01113 1.78804 ++ {0.0} {} {} 119.15131 0.65615 1.36852 ++ {0.0} {} 28.1363887787 1.3203 0 {} 0 0 0 121 {} 8.36502 0.04519 0.07343 ++ {0.0} {} {} 19.18497 0.98651 1.82169 ++ {0.0} {} {} 119.19022 0.66632 1.28496 ++ {0.0} {} 9.78533554077 0.3345 0 {} 0 0 0 122 {} 9.29200 0.03768 0.00268 ++ {0.0} {} {} 45.12023 0.95326 0.05408 ++ {0.0} {} {} 118.82585 0.62907 0.03569 ++ {0.0} {} 0.0358922407031 0.0359 0 {} 0 0 0 123 {} 8.92292 0.02409 0.01494 ++ {0.0} {} {} 45.17715 1.02029 0.57323 ++ {0.0} {} {} 118.81597 0.70759 0.39686 ++ {0.0} {} 0.504977345467 0.0484 0 {} 0 0 0 124 {} 8.77181 0.03304 0.02644 ++ {0.0} {} {} 45.13071 1.01008 0.76521 ++ {0.0} {} {} 118.84235 0.60294 0.45486 ++ {0.0} {} 0.869349062443 0.0560 0 {} 0 0 0 125 {} 8.62816 0.04964 0.08082 ++ {0.0} {} {} 45.15268 0.91072 1.40387 ++ {0.0} {} {} 118.82124 0.64370 0.99142 ++ {0.0} {} 4.00676584244 0.1359 0 {} 0 0 0 126 {} 8.44463 0.05787 0.08266 ++ {0.0} {} {} 45.14368 0.91579 1.07725 ++ {0.0} {} {} 118.87420 0.52732 0.61712 ++ {0.0} {} 3.34294724464 0.0841 0 {} 0 0 0 127 {} 8.21870 0.03921 0.30189 ++ {0.0} {} {} 45.16693 0.89207 1.95774 ++ {0.0} {} {} 118.79933 0.65433 1.40508 ++ {0.0} {} 333.805786133 12.0446 0 {} 0 0 0 128 {} 7.81114 0.02223 0.01819 ++ {0.0} {} {} 45.15532 0.99067 0.76853 ++ {0.0} {} {} 118.82801 0.58139 0.45103 ++ {0.0} {} 0.669639289379 0.0570 0 {} 0 0 0 129 {} 8.20287 0.04416 0.07213 ++ {0.0} {} {} 42.03513 1.01775 1.54886 ++ {0.0} {} {} 118.75504 0.62057 1.12505 ++ {0.0} {} 6.07741451263 0.1824 0 {} 0 0 0 130 {} 7.95050 0.03422 0.08285 ++ {0.0} {} {} 38.97737 0.70371 1.77605 ++ {0.0} {} {} 118.93462 0.48432 1.39971 ++ {0.0} {} 29.5143718719 1.1832 0 {} 0 0 0 131 {} 8.20289 0.04296 0.07375 ++ {0.0} {} {} 32.10160 0.91001 1.58731 ++ {0.0} {} {} 118.74207 0.64654 1.16760 ++ {0.0} {} 5.39976072311 0.1799 0 {} 0 0 0 132 {} 8.20116 0.04598 0.08965 ++ {0.0} {} {} 29.17977 1.01835 1.76946 ++ {0.0} {} {} 118.74459 0.56248 1.17269 ++ {0.0} {} 8.21437168121 0.2822 0 {} 0 0 0 133 {} 8.20121 0.03578 0.06280 ++ {0.0} {} {} 24.86797 0.69675 1.03246 ++ {0.0} {} {} 118.73766 0.60279 0.97112 ++ {0.0} {} 3.41733622551 0.1346 0 {} 0 0 0 134 {} 8.61547 0.02822 0.01613 ++ {0.0} {} {} 18.76618 0.81207 0.41178 ++ {0.0} {} {} 118.72250 0.60842 0.30852 ++ {0.0} {} 0.3871730268 0.0467 0 {} 0 0 0 135 {} 8.35053 0.03555 0.02151 ++ {0.0} {} {} 34.17435 1.16270 0.46599 ++ {0.0} {} {} 118.49164 0.63035 0.23964 ++ {0.0} {} 0.257383346558 0.0431 0 {} 0 0 0 136 {} 7.50711 0.03598 0.07189 ++ {0.0} {} {} 30.44421 0.69606 1.70295 ++ {0.0} {} {} 118.26588 0.45458 1.02073 ++ {0.0} {} 12.6958217621 0.4361 0 {} 0 0 0 137 {} 8.01850 0.03308 0.06241 ++ {0.0} {} {} 61.06947 0.86544 1.75574 ++ {0.0} {} {} 118.19454 0.51416 1.06880 ++ {0.0} {} 5.80953550339 0.2478 0 {} 0 0 0 138 {} 7.50747 0.03461 0.05864 ++ {0.0} {} {} 56.40803 0.69771 1.53037 ++ {0.0} {} {} 118.25635 0.47357 0.98858 ++ {0.0} {} 7.68947458267 0.2759 0 {} 0 0 0 139 {} 7.50788 0.03448 0.08479 ++ {0.0} {} {} 43.41446 0.68745 1.82226 ++ {0.0} {} {} 118.25703 0.47310 1.42192 ++ {0.0} {} 35.4594917297 1.1257 0 {} 0 0 0 140 {} 8.01887 0.03427 0.06531 ++ {0.0} {} {} 42.28616 0.77663 1.64853 ++ {0.0} {} {} 118.20127 0.49614 1.03795 ++ {0.0} {} 6.97883176804 0.2637 0 {} 0 0 0 141 {} 8.01943 0.03496 0.06289 ++ {0.0} {} {} 32.67500 0.99551 1.82647 ++ {0.0} {} {} 118.20156 0.49499 1.08822 ++ {0.0} {} 8.80320167542 0.3240 0 {} 0 0 0 142 {} 8.02034 0.03396 0.06841 ++ {0.0} {} {} 29.94615 0.69089 1.65322 ++ {0.0} {} {} 118.18668 0.52098 1.23661 ++ {0.0} {} 10.5382099152 0.4008 0 {} 0 0 0 143 {} 7.50828 0.03396 0.07090 ++ {0.0} {} {} 27.30719 0.67702 1.73871 ++ {0.0} {} {} 118.26043 0.46264 1.21097 ++ {0.0} {} 14.2529716492 0.5745 0 {} 0 0 0 144 {} 8.01915 0.03258 0.05850 ++ {0.0} {} {} 25.34820 0.77444 1.65241 ++ {0.0} {} {} 118.19601 0.50318 1.01201 ++ {0.0} {} 6.15866470337 0.2410 0 {} 0 0 0 145 {} 8.23428 0.03340 0.08992 ++ {0.0} {} {} 18.42892 0.61106 1.43886 ++ {0.0} {} {} 118.11756 0.60974 1.36930 ++ {0.0} {} 28.4837703705 1.0481 0 {} 0 0 0 146 {} 8.76594 0.03264 0.04117 ++ {0.0} {} {} 60.89455 0.49042 0.61617 ++ {0.0} {} {} 117.75326 0.59325 0.74536 ++ {0.0} {} 1.72529530525 0.0938 0 {} 0 0 0 147 {} 8.27530 0.02689 0.05459 ++ {0.0} {} {} 59.83866 0.70743 1.68365 ++ {0.0} {} {} 117.75936 0.62877 1.30400 ++ {0.0} {} 8.85482311249 0.3994 0 {} 0 0 0 148 {} 7.92520 0.03137 0.06995 ++ {0.0} {} {} 58.70851 0.98496 1.73379 ++ {0.0} {} {} 117.57422 0.47386 1.23128 ++ {0.0} {} 19.7678756714 0.8585 0 {} 0 0 0 149 {} 8.27542 0.02676 0.06757 ++ {0.0} {} {} 43.63948 0.99566 1.65018 ++ {0.0} {} {} 117.76220 0.59793 1.35970 ++ {0.0} {} 22.2161979675 0.9722 0 {} 0 0 0 150 {} 8.76401 0.03531 0.13120 ++ {0.0} {} {} 36.99349 0.70069 1.71935 ++ {0.0} {} {} 117.76913 0.58589 1.36477 ++ {0.0} {} 26.6870365143 1.0128 0 {} 0 0 0 151 {} 7.92494 0.03096 0.08414 ++ {0.0} {} {} 33.80220 0.74716 1.06737 ++ {0.0} {} {} 117.56853 0.46229 1.31115 ++ {0.0} {} 45.5724182129 1.8920 0 {} 0 0 0 152 {} 8.27526 0.02760 0.05689 ++ {0.0} {} {} 29.66517 0.90772 1.64992 ++ {0.0} {} {} 117.76244 0.59685 1.27913 ++ {0.0} {} 10.0120134354 0.4275 0 {} 0 0 0 153 {} 8.27558 0.02544 0.05414 ++ {0.0} {} {} 28.10880 0.85407 1.22010 ++ {0.0} {} {} 117.76603 0.59203 1.31741 ++ {0.0} {} 11.277841568 0.6289 0 {} 0 0 0 154 {} 7.67489 0.03535 0.08704 ++ {0.0} {} {} 55.62440 0.78812 1.65733 ++ {0.0} {} {} 116.99180 0.64977 1.30204 ++ {0.0} {} 9.83273506165 0.5630 0 {} 0 0 0 155 {} 7.67466 0.03532 0.08782 ++ {0.0} {} {} 35.82595 0.81513 2.06936 ++ {0.0} {} {} 116.99459 0.66194 1.35907 ++ {0.0} {} 21.9992790222 0.8217 0 {} 0 0 0 156 {} 8.22365 0.03189 0.05068 ++ {0.0} {} {} 45.17711 0.98157 1.63832 ++ {0.0} {} {} 116.25451 0.57246 1.53172 ++ {0.0} {} 3.02254319191 0.1756 0 {} 0 0 0 157 {} 8.52000 0.05954 0.10881 ++ {0.0} {} {} 63.53939 0.79181 1.52514 ++ {0.0} {} {} 116.04706 0.50440 0.90290 ++ {0.0} {} 8.12162017822 0.1913 0 {} 0 0 0 158 {} 8.51604 0.06134 0.11579 ++ {0.0} {} {} 50.68209 1.04697 1.76690 ++ {0.0} {} {} 116.04657 0.48482 0.91672 ++ {0.0} {} 10.5300445557 0.2363 0 {} 0 0 0 159 {} 8.51816 0.06129 0.11686 ++ {0.0} {} {} 32.11926 0.92815 1.72363 ++ {0.0} {} {} 116.05795 0.47902 0.95876 ++ {0.0} {} 11.0303192139 0.2657 0 {} 0 0 0 160 {} 8.51790 0.05921 0.13027 ++ {0.0} {} {} 27.40397 0.65536 1.42050 ++ {0.0} {} {} 116.04775 0.46803 0.96073 ++ {0.0} {} 14.8365135193 0.3181 0 {} 0 0 0 161 {} 8.23986 0.05409 0.06891 ++ {0.0} {} {} 58.51458 0.74753 0.92458 ++ {0.0} {} {} 115.46748 0.58903 0.72854 ++ {0.0} {} 3.31468224525 0.0914 0 {} 0 0 0 162 {} 8.11707 0.06873 0.10462 ++ {0.0} {} {} 63.92933 0.74495 1.33200 ++ {0.0} {} {} 115.15663 0.59892 1.06445 ++ {0.0} {} 7.79842996597 0.1628 0 {} 0 0 0 163 {} 8.12166 0.07488 0.25763 ++ {0.0} {} {} 58.60558 0.86627 1.81450 ++ {0.0} {} {} 115.15900 0.59935 1.30316 ++ {0.0} {} 26.9388370514 0.5173 0 {} 0 0 0 164 {} 8.01393 0.02190 0.01715 ++ {0.0} {} {} 58.59937 0.83883 0.41723 ++ {0.0} {} {} 115.15771 0.57859 0.28779 ++ {0.0} {} 0.313155323267 0.0464 0 {} 0 0 0 165 {} 7.92325 0.03228 0.03784 ++ {0.0} {} {} 24.61977 0.92414 1.15173 ++ {0.0} {} {} 115.14112 0.54554 0.67054 ++ {0.0} {} 1.54845511913 0.0905 0 {} 0 0 0 166 {} 7.41482 0.03358 0.09771 ++ {0.0} {} {} 58.13311 0.96639 1.91358 ++ {0.0} {} {} 114.88821 0.57963 1.33286 ++ {0.0} {} 17.122959137 0.7828 0 {} 0 0 0 167 {} 8.22181 0.02955 0.03115 ++ {0.0} {} {} 45.20108 1.12217 1.19357 ++ {0.0} {} {} 114.86642 0.72114 0.75841 ++ {0.0} {} 1.27705025673 0.0735 0 {} 0 0 0 168 {} 7.41572 0.03598 0.12371 ++ {0.0} {} {} 36.06918 0.78328 1.75148 ++ {0.0} {} {} 114.88570 0.58837 1.37823 ++ {0.0} {} 37.2493171692 1.6780 0 {} 0 0 0 169 {} 8.36689 0.04916 0.05164 ++ {0.0} {} {} 24.88123 0.65295 0.72149 ++ {0.0} {} {} 114.76537 0.58599 0.64751 ++ {0.0} {} 2.0424387455 0.0779 0 {} 0 0 0 170 {} 8.05145 0.03217 0.05528 ++ {0.0} {} {} 58.19017 0.82885 1.50353 ++ {0.0} {} {} 114.11723 0.63399 1.16960 ++ {0.0} {} 4.01719474792 0.1913 0 {} 0 0 0 171 {} 8.17950 0.02415 0.01234 ++ {0.0} {} {} 41.14100 1.06507 0.38280 ++ {0.0} {} {} 114.16211 0.62583 0.22599 ++ {0.0} {} 0.0844128727913 0.0426 0 {} 0 0 0 172 {} 8.04856 0.03048 0.07315 ++ {0.0} {} {} 41.12859 0.99869 1.88248 ++ {0.0} {} {} 114.12374 0.66183 1.30503 ++ {0.0} {} 10.6688213348 0.5566 0 {} 0 0 0 173 {} 8.04951 0.02855 0.03759 ++ {0.0} {} {} 26.97058 0.73197 1.02358 ++ {0.0} {} {} 114.12476 0.62600 0.90801 ++ {0.0} {} 2.07430529594 0.1159 0 {} 0 0 0 174 {} 8.04898 0.03051 0.06466 ++ {0.0} {} {} 24.74742 1.15495 1.64992 ++ {0.0} {} {} 114.11021 0.70229 1.30433 ++ {0.0} {} 10.3601026535 0.3590 0 {} 0 0 0 175 {} 8.22177 0.02311 0.01892 ++ {0.0} {} {} 45.14553 1.01890 0.82116 ++ {0.0} {} {} 113.39329 0.56354 0.74463 ++ {0.0} {} 0.798537731171 0.0584 0 {} 0 0 0 176 {} 6.90569 0.03432 0.02907 ++ {0.0} {} {} 55.66906 0.95955 0.82767 ++ {0.0} {} {} 112.40015 0.71198 0.61329 ++ {0.0} {} 1.05922293663 0.0613 0 {} 0 0 0 177 {} 6.89237 0.02242 0.00382 ++ {0.0} {} {} 53.20483 1.04227 0.14935 ++ {0.0} {} {} 112.19843 0.77391 0.11089 ++ {0.0} {} 0.0375654697418 0.0376 0 {} 0 0 0 178 {} 7.55154 0.02780 0.05121 ++ {0.0} {} {} 38.69535 0.81307 1.53773 ++ {0.0} {} {} 112.32071 1.02954 1.57565 ++ {0.0} {} 5.20537948608 0.2187 0 {} 0 0 0 179 {} 6.89500 0.02491 0.04055 ++ {0.0} {} {} 38.72932 0.75429 1.41826 ++ {0.0} {} {} 112.21129 0.88759 1.39126 ++ {0.0} {} 4.80696153641 0.1994 0 {} 0 0 0 180 {} 7.64785 0.02111 0.02585 ++ {0.0} {} {} 59.01001 0.70462 0.86774 ++ {0.0} {} {} 112.03230 0.84125 1.03024 ++ {0.0} {} 1.68382120132 0.0908 0 {} 0 0 0 181 {} 7.36730 0.02434 0.02794 ++ {0.0} {} {} 59.16268 1.00577 1.13664 ++ {0.0} {} {} 111.89964 0.99683 1.10056 ++ {0.0} {} 1.50654017925 0.0801 0 {} 0 0 0 182 {} 7.50109 0.02572 0.03787 ++ {0.0} {} {} 56.05473 0.81669 1.48181 ++ {0.0} {} {} 111.87592 1.12357 1.75956 ++ {0.0} {} 4.87424707413 0.1683 0 {} 0 0 0 183 {} 7.64772 0.02112 0.03310 ++ {0.0} {} {} 34.52818 0.73747 1.15213 ++ {0.0} {} {} 112.05565 0.88191 1.32077 ++ {0.0} {} 3.14308404922 0.1465 0 {} 0 0 0 184 {} 7.50223 0.04464 0.07651 ++ {0.0} {} {} 33.75600 0.77536 1.73597 ++ {0.0} {} {} 111.79210 1.06253 2.52775 ++ {0.0} {} 20.4216003418 0.3300 0 {} 0 0 0 185 {} 7.36629 0.02236 0.02899 ++ {0.0} {} {} 33.65624 0.95996 1.38964 ++ {0.0} {} {} 111.93507 0.97483 1.25776 ++ {0.0} {} 2.52826523781 0.1218 0 {} 0 0 0 186 {} 7.51335 0.03371 0.04816 ++ {0.0} {} {} 58.70680 0.91654 1.42716 ++ {0.0} {} {} 111.63433 0.97693 1.28424 ++ {0.0} {} 4.84255695343 0.1262 0 {} 0 0 0 187 {} 7.48205 0.00952 0.02939 ++ {0.0} {} {} 58.72044 0.90281 1.43651 ++ {0.0} {} {} 111.59653 1.08387 1.46367 ++ {0.0} {} 3.20226264 0.1327 0 {} 0 0 0 188 {} 6.89632 0.04704 0.06950 ++ {0.0} {} {} 58.82024 0.79311 1.51851 ++ {0.0} {} {} 111.63749 1.05745 1.71430 ++ {0.0} {} 9.87354183197 0.1914 0 {} 0 0 0 189 {} 6.85426 0.02369 0.03311 ++ {0.0} {} {} 56.09404 0.85039 1.37677 ++ {0.0} {} {} 111.66354 0.82302 1.25141 ++ {0.0} {} 3.05876421928 0.1350 0 {} 0 0 0 190 {} 6.90364 0.04004 0.09068 ++ {0.0} {} {} 33.76614 0.80841 1.81148 ++ {0.0} {} {} 111.61659 1.30051 2.50466 ++ {0.0} {} 23.3056926727 0.3196 0 {} 0 0 0 191 {} 8.67441 0.10981 0.12334 ++ {0.0} {} {} 45.02838 0.73748 0.88949 ++ {0.0} {} {} 110.88833 0.67738 0.82338 ++ {0.0} {} 4.58983469009 0.0879 0 {} 0 0 0 192 {} 8.41097 0.03768 0.08134 ++ {0.0} {} {} 57.04061 0.75679 1.78597 ++ {0.0} {} {} 110.43742 0.51521 1.22365 ++ {0.0} {} 11.6564512253 0.4635 0 {} 0 0 0 193 {} 8.41072 0.04092 0.14106 ++ {0.0} {} {} 36.15870 0.93960 1.44563 ++ {0.0} {} {} 110.43562 0.51905 1.39533 ++ {0.0} {} 53.6136131287 1.8440 0 {} 0 0 0 194 {} 7.16263 0.02377 0.02833 ++ {0.0} {} {} 59.10851 0.95283 1.15812 ++ {0.0} {} {} 110.06162 1.01300 1.17591 ++ {0.0} {} 1.72298765182 0.0871 0 {} 0 0 0 195 {} 7.16300 0.02347 0.03492 ++ {0.0} {} {} 34.07481 0.81313 1.26124 ++ {0.0} {} {} 110.01864 0.85809 1.26144 ++ {0.0} {} 2.68000817299 0.1299 0 {} 0 0 0 196 {} 6.83466 0.02148 0.02170 ++ {0.0} {} {} 59.09692 0.91730 0.92737 ++ {0.0} {} {} 109.84109 0.81814 0.82726 ++ {0.0} {} 1.0118598938 0.0705 0 {} 0 0 0 197 {} 6.83429 0.02287 0.02914 ++ {0.0} {} {} 34.07628 0.80303 1.08221 ++ {0.0} {} {} 109.90465 0.71233 1.00961 ++ {0.0} {} 2.15375733376 0.1069 0 {} 0 0 0 198 {} 8.30655 0.04532 0.06232 ++ {0.0} {} {} 45.48639 0.75067 1.01147 ++ {0.0} {} {} 108.98320 0.58211 0.78434 ++ {0.0} {} 3.6112101078 0.1069 0 {} 0 0 0 199 {} 8.25795 0.03609 0.05156 ++ {0.0} {} {} 45.53076 0.86173 0.81863 ++ {0.0} {} {} 108.94020 0.54820 0.52079 ++ {0.0} {} 1.80933725834 0.0664 0 {} 0 0 0 200 {} 8.31342 0.02387 0.02584 ++ {0.0} {} {} 47.78798 0.63999 0.73321 ++ {0.0} {} {} 108.57742 0.47388 0.54290 ++ {0.0} {} 0.963238835335 0.0816 0 {} 0 0 0 201 {} 8.03050 0.02991 0.03511 ++ {0.0} {} {} 56.94817 0.63734 0.72593 ++ {0.0} {} {} 108.08065 0.50784 0.57843 ++ {0.0} {} 1.49816250801 0.0810 0 {} 0 0 0 202 {} 8.02608 0.04531 0.12562 ++ {0.0} {} {} 43.09422 0.91894 1.83719 ++ {0.0} {} {} 108.10392 0.49237 1.12381 ++ {0.0} {} 11.6189107895 0.3422 0 {} 0 0 0 203 {} 8.02754 0.05203 0.07292 ++ {0.0} {} {} 29.99969 0.74441 1.13412 ++ {0.0} {} {} 108.14391 0.49137 0.73639 ++ {0.0} {} 4.70458745956 0.1391 0 {} 0 0 0 204 {} 8.02593 0.04856 0.10549 ++ {0.0} {} {} 26.58582 0.76860 1.52500 ++ {0.0} {} {} 108.12198 0.46533 0.78649 ++ {0.0} {} 6.99768638611 0.2251 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 C-aliphatic . 'not observed' 3600.665 Hz . . . 4.788 . . 31014 7 2 . . C 13 C-aliphatic . 'not observed' 10553.75 Hz . . . 35.083 . . 31014 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 31014 _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 5 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 CBCACONH.nv 2105.50805664 9649.14257813 1400.02099609 599.598022461 150.774993896 60.763999939 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 {} 8.04473 0.02522 0.03071 ++ {0.0} {} {} 55.72984 0.90616 1.15835 ++ {0.0} {} {} 128.23700 0.22759 0.28713 ++ {0.0} {} -9.92260074615 -0.9917 0 {} 0 0 0 1 {} 8.04473 0.02515 0.01083 ++ {0.0} {} {} 31.33357 0.76526 0.26941 ++ {0.0} {} {} 128.23238 0.23000 0.08097 ++ {0.0} {} -1.61007118225 -0.4443 0 {} 0 0 0 2 {} 8.04190 0.02628 0.05766 ++ {0.0} {} {} 55.73050 0.91288 1.84224 ++ {0.0} {} {} 127.26010 0.46777 1.44546 ++ {0.0} {} 262.194671631 12.9116 0 {} 0 0 0 3 {} 8.04172 0.02762 0.02798 ++ {0.0} {} {} 54.43316 0.06968 0.07085 ++ {0.0} {} {} 127.24943 0.48114 0.48918 ++ {0.0} {} -8.2678194046 -0.7447 0 {} 0 0 0 4 {} 8.04183 0.02645 0.05360 ++ {0.0} {} {} 31.34728 0.76374 1.86185 ++ {0.0} {} {} 127.25800 0.46953 1.28019 ++ {0.0} {} 136.198883057 5.9532 0 {} 0 0 0 5 {} 7.94916 0.02854 0.02455 ++ {0.0} {} {} 45.39286 0.72078 0.59615 ++ {0.0} {} {} 124.59716 0.61524 0.50886 ++ {0.0} {} 9.2145614624 0.6243 0 {} 0 0 0 6 {} 8.43229 0.02121 0.01610 ++ {0.0} {} {} 62.42369 0.72424 0.50059 ++ {0.0} {} {} 123.97396 0.07428 0.05134 ++ {0.0} {} -3.68311452866 -0.5595 0 {} 0 0 0 7 {} 8.16216 0.03870 0.07707 ++ {0.0} {} {} 58.10450 0.98255 1.72568 ++ {0.0} {} {} 123.89809 0.54774 1.15222 ++ {0.0} {} 65.0101699829 2.6889 0 {} 0 0 0 8 {} 8.16175 0.03841 0.06194 ++ {0.0} {} {} 38.80719 0.80444 1.37017 ++ {0.0} {} {} 123.89829 0.54766 0.92173 ++ {0.0} {} 41.8553390503 1.6245 0 {} 0 0 0 9 {} 8.40054 0.04923 0.12471 ++ {0.0} {} {} 56.05182 0.91270 1.80637 ++ {0.0} {} {} 123.50169 0.68387 1.22052 ++ {0.0} {} 130.676879883 2.8193 0 {} 0 0 0 10 {} 8.42788 0.03414 0.09451 ++ {0.0} {} {} 62.38701 0.71669 1.78795 ++ {0.0} {} {} 123.09276 0.60908 1.30385 ++ {0.0} {} 187.868942261 7.3126 0 {} 0 0 0 11 {} 8.14077 0.03079 0.02972 ++ {0.0} {} {} 54.30851 0.77054 0.74278 ++ {0.0} {} {} 123.18967 0.24860 0.23965 ++ {0.0} {} -6.5405497551 -0.7068 0 {} 0 0 0 12 {} 8.14024 0.02625 0.02305 ++ {0.0} {} {} 41.15495 1.09064 0.93723 ++ {0.0} {} {} 123.18856 0.23291 0.19731 ++ {0.0} {} -4.61315107346 -0.6352 0 {} 0 0 0 13 {} 8.42762 0.03463 0.06994 ++ {0.0} {} {} 32.73202 0.95940 1.82771 ++ {0.0} {} {} 123.10401 0.66813 1.21025 ++ {0.0} {} 91.4241485596 2.8048 0 {} 0 0 0 14 {} 8.36585 0.04063 0.05453 ++ {0.0} {} {} 31.19516 1.02439 1.39208 ++ {0.0} {} {} 123.21001 0.50957 0.68688 ++ {0.0} {} 27.4849338531 1.1230 0 {} 0 0 0 15 {} 8.15339 0.03244 0.07441 ++ {0.0} {} {} 56.62151 1.05482 1.91253 ++ {0.0} {} {} 122.70992 0.60740 1.39604 ++ {0.0} {} 168.003326416 6.7901 0 {} 0 0 0 16 {} 8.15340 0.03234 0.06514 ++ {0.0} {} {} 30.16270 1.06789 1.83238 ++ {0.0} {} {} 122.70132 0.55392 1.23949 ++ {0.0} {} 88.3119888306 3.7001 0 {} 0 0 0 17 {} 7.97650 0.03897 0.05408 ++ {0.0} {} {} 59.17662 1.06355 1.44772 ++ {0.0} {} {} 122.03106 0.61496 0.89514 ++ {0.0} {} 26.7492294312 1.2255 0 {} 0 0 0 18 {} 8.09398 0.03521 0.05290 ++ {0.0} {} {} 58.08738 0.98075 1.52772 ++ {0.0} {} {} 122.11285 0.51284 0.75438 ++ {0.0} {} 31.8175010681 1.3841 0 {} 0 0 0 19 {} 8.70702 0.04095 0.08142 ++ {0.0} {} {} 56.47340 0.79084 1.64735 ++ {0.0} {} {} 122.06740 0.60407 1.12934 ++ {0.0} {} 67.5547485352 2.4235 0 {} 0 0 0 20 {} 8.13647 0.03713 0.09319 ++ {0.0} {} {} 54.34639 0.74706 1.83837 ++ {0.0} {} {} 122.19377 0.78871 1.62531 ++ {0.0} {} 338.295806885 8.5834 0 {} 0 0 0 21 {} 8.13719 0.03682 0.02777 ++ {0.0} {} {} 52.97192 0.10956 0.07670 ++ {0.0} {} {} 122.18247 0.57107 0.39980 ++ {0.0} {} -4.33945560455 -0.5633 0 {} 0 0 0 22 {} 8.13572 0.03858 0.09557 ++ {0.0} {} {} 41.15717 1.05802 1.92835 ++ {0.0} {} {} 122.17413 0.80506 1.73853 ++ {0.0} {} 315.394439697 8.6766 0 {} 0 0 0 23 {} 8.70711 0.04086 0.06063 ++ {0.0} {} {} 30.95029 0.74555 1.08167 ++ {0.0} {} {} 122.06544 0.60744 0.93264 ++ {0.0} {} 33.1041374207 1.3334 0 {} 0 0 0 24 {} 8.09343 0.03464 0.02941 ++ {0.0} {} {} 29.74116 0.92822 0.74593 ++ {0.0} {} {} 122.10802 0.54645 0.43914 ++ {0.0} {} 8.79749202728 0.6120 0 {} 0 0 0 25 {} 7.97666 0.03883 0.03066 ++ {0.0} {} {} 29.24272 0.89136 0.65335 ++ {0.0} {} {} 122.03561 0.61357 0.44974 ++ {0.0} {} 8.46337890625 0.5779 0 {} 0 0 0 26 {} 8.11356 0.03187 0.07447 ++ {0.0} {} {} 54.60454 0.99668 1.93010 ++ {0.0} {} {} 121.73030 0.63234 1.47106 ++ {0.0} {} 314.436126709 8.3415 0 {} 0 0 0 27 {} 8.11364 0.03234 0.07450 ++ {0.0} {} {} 41.18589 1.04742 1.92681 ++ {0.0} {} {} 121.73756 0.63060 1.46771 ++ {0.0} {} 289.435058594 7.9520 0 {} 0 0 0 28 {} 8.54460 0.03555 0.05742 ++ {0.0} {} {} 55.65350 1.05522 1.60387 ++ {0.0} {} {} 121.49712 0.45235 0.71244 ++ {0.0} {} 41.2035369873 1.7229 0 {} 0 0 0 29 {} 8.29148 0.02345 0.00274 ++ {0.0} {} {} 55.71949 0.80226 0.07549 ++ {0.0} {} {} 121.46628 0.07290 0.00686 ++ {0.0} {} -0.384194523096 -0.3842 0 {} 0 0 0 30 {} 8.54468 0.03572 0.03635 ++ {0.0} {} {} 28.84649 0.74598 0.76327 ++ {0.0} {} {} 121.49638 0.44416 0.45445 ++ {0.0} {} 14.0404100418 0.7496 0 {} 0 0 0 31 {} 8.34115 0.03491 0.03589 ++ {0.0} {} {} 28.33414 0.76655 0.79464 ++ {0.0} {} {} 121.31459 0.61007 0.63243 ++ {0.0} {} 12.5222406387 0.7601 0 {} 0 0 0 32 {} 7.99863 0.03478 0.04803 ++ {0.0} {} {} 62.36311 0.65224 1.84440 ++ {0.0} {} {} 120.81104 0.43202 0.60300 ++ {0.0} {} 36.2967033386 1.2118 0 {} 0 0 0 33 {} 8.37250 0.03322 0.06482 ++ {0.0} {} {} 60.18795 1.05771 1.70872 ++ {0.0} {} {} 120.98233 0.62252 1.09171 ++ {0.0} {} 63.3842849731 2.0333 0 {} 0 0 0 34 {} 8.14830 0.03336 0.05967 ++ {0.0} {} {} 59.20245 0.98937 1.71182 ++ {0.0} {} {} 121.05304 0.58257 1.15129 ++ {0.0} {} 74.5925064087 2.3624 0 {} 0 0 0 35 {} 8.29677 0.02434 0.00759 ++ {0.0} {} {} 57.12330 1.02984 0.31114 ++ {0.0} {} {} 121.10214 0.06675 0.01903 ++ {0.0} {} -0.841302752495 -0.4270 0 {} 0 0 0 36 {} 8.21470 0.03224 0.05226 ++ {0.0} {} {} 57.30583 0.78220 1.25914 ++ {0.0} {} {} 120.86147 0.48021 0.72445 ++ {0.0} {} 34.032989502 1.4901 0 {} 0 0 0 37 {} 8.18706 0.02872 0.02290 ++ {0.0} {} {} 54.60054 0.98448 0.75603 ++ {0.0} {} {} 121.08274 0.09739 0.07479 ++ {0.0} {} -4.32331895828 -0.5943 0 {} 0 0 0 38 {} 8.06907 0.04523 0.06864 ++ {0.0} {} {} 53.10744 0.98952 1.47325 ++ {0.0} {} {} 120.78854 0.42332 0.61743 ++ {0.0} {} 38.524772644 1.3524 0 {} 0 0 0 39 {} 8.18676 0.02540 0.01848 ++ {0.0} {} {} 41.20434 0.99964 0.67213 ++ {0.0} {} {} 121.08553 0.08614 0.05792 ++ {0.0} {} -4.04366254807 -0.5515 0 {} 0 0 0 40 {} 8.06931 0.04406 0.06902 ++ {0.0} {} {} 38.75577 0.86173 1.40399 ++ {0.0} {} {} 120.78423 0.42229 0.63429 ++ {0.0} {} 44.3075408936 1.4704 0 {} 0 0 0 41 {} 8.21436 0.03058 0.03256 ++ {0.0} {} {} 37.40920 0.73099 0.76945 ++ {0.0} {} {} 120.87242 0.48752 0.51317 ++ {0.0} {} 11.7183628082 0.7729 0 {} 0 0 0 42 {} 8.37289 0.03177 0.03928 ++ {0.0} {} {} 35.35042 0.75755 0.97706 ++ {0.0} {} {} 120.99023 0.59306 0.76490 ++ {0.0} {} 19.1880569458 1.0310 0 {} 0 0 0 43 {} 8.14842 0.03205 0.04331 ++ {0.0} {} {} 28.21423 0.95690 1.38576 ++ {0.0} {} {} 121.03181 0.59478 0.85644 ++ {0.0} {} 25.308927536 1.2077 0 {} 0 0 0 44 {} 8.63955 0.03981 0.04932 ++ {0.0} {} {} 64.74791 0.87382 1.08900 ++ {0.0} {} {} 120.70245 0.47506 0.59205 ++ {0.0} {} 21.7233562469 0.9715 0 {} 0 0 0 45 {} 8.32164 0.03012 0.05249 ++ {0.0} {} {} 60.21912 0.93162 1.66913 ++ {0.0} {} {} 120.59286 0.62700 1.09194 ++ {0.0} {} 47.4268836975 2.0325 0 {} 0 0 0 46 {} 8.07901 0.03212 0.05826 ++ {0.0} {} {} 58.08435 0.95409 1.68967 ++ {0.0} {} {} 120.62253 0.61542 1.08076 ++ {0.0} {} 42.5599021912 2.0774 0 {} 0 0 0 47 {} 8.28400 0.03049 0.07050 ++ {0.0} {} {} 55.59503 0.97690 1.39557 ++ {0.0} {} {} 120.54867 0.56946 1.32492 ++ {0.0} {} 150.687606812 7.5807 0 {} 0 0 0 48 {} 8.28406 0.03053 0.06170 ++ {0.0} {} {} 42.36622 0.74268 1.71179 ++ {0.0} {} {} 120.54733 0.57130 1.26074 ++ {0.0} {} 86.8235549927 3.9087 0 {} 0 0 0 49 {} 8.63915 0.03872 0.00572 ++ {0.0} {} {} 31.92019 0.72915 0.08023 ++ {0.0} {} {} 120.70104 0.48129 0.05296 ++ {0.0} {} 1.5023702383 0.3874 0 {} 0 0 0 50 {} 8.07956 0.03013 0.02717 ++ {0.0} {} {} 31.95528 0.74718 0.65105 ++ {0.0} {} {} 120.61770 0.62379 0.54354 ++ {0.0} {} 8.85598945618 0.6488 0 {} 0 0 0 51 {} 8.40179 0.03295 0.05717 ++ {0.0} {} {} 59.14144 1.06818 1.69174 ++ {0.0} {} {} 120.19437 0.53117 0.96988 ++ {0.0} {} 47.6339988708 2.1064 0 {} 0 0 0 52 {} 8.29202 0.03340 0.07583 ++ {0.0} {} {} 57.15165 1.11971 1.81769 ++ {0.0} {} {} 120.23804 0.63575 1.28904 ++ {0.0} {} 170.622634888 6.0215 0 {} 0 0 0 53 {} 8.18384 0.03207 0.07198 ++ {0.0} {} {} 54.59775 0.97427 1.90572 ++ {0.0} {} {} 120.21112 0.59040 1.27393 ++ {0.0} {} 122.801994324 6.5799 0 {} 0 0 0 54 {} 7.88980 0.03208 0.03394 ++ {0.0} {} {} 54.43243 0.74604 0.80453 ++ {0.0} {} {} 120.08476 0.44397 0.47878 ++ {0.0} {} 13.0061035156 0.7945 0 {} 0 0 0 55 {} 8.18384 0.03206 0.07044 ++ {0.0} {} {} 41.20594 0.98331 1.89292 ++ {0.0} {} {} 120.21186 0.59129 1.26278 ++ {0.0} {} 112.241172791 6.0075 0 {} 0 0 0 56 {} 7.88983 0.03172 0.03389 ++ {0.0} {} {} 41.22716 0.93756 1.02585 ++ {0.0} {} {} 120.08348 0.44182 0.48343 ++ {0.0} {} 13.9841480255 0.8084 0 {} 0 0 0 57 {} 8.33128 0.03585 0.04070 ++ {0.0} {} {} 32.74242 0.94874 1.09816 ++ {0.0} {} {} 120.41704 0.45399 0.52550 ++ {0.0} {} 18.5623836517 0.8691 0 {} 0 0 0 58 {} 8.29226 0.03428 0.06657 ++ {0.0} {} {} 30.09421 0.96952 1.80560 ++ {0.0} {} {} 120.23740 0.62611 1.19437 ++ {0.0} {} 73.4917755127 3.2617 0 {} 0 0 0 59 {} 8.40182 0.03218 0.03878 ++ {0.0} {} {} 28.18572 1.06241 1.31322 ++ {0.0} {} {} 120.19242 0.52745 0.65959 ++ {0.0} {} 17.0192298889 0.9770 0 {} 0 0 0 60 {} 8.40011 0.04757 0.08472 ++ {0.0} {} {} 63.20533 0.97045 1.60284 ++ {0.0} {} {} 119.99794 0.47830 0.76518 ++ {0.0} {} 58.1527900696 1.8296 0 {} 0 0 0 61 {} 8.40012 0.04629 0.05104 ++ {0.0} {} {} 32.11554 1.02779 1.15086 ++ {0.0} {} {} 120.00524 0.47640 0.53143 ++ {0.0} {} 19.2046260834 0.8279 0 {} 0 0 0 62 {} 8.38661 0.03319 0.05464 ++ {0.0} {} {} 60.88066 0.72487 1.23964 ++ {0.0} {} {} 119.64297 0.48002 0.76575 ++ {0.0} {} 44.9547615051 1.8090 0 {} 0 0 0 63 {} 8.06841 0.05580 0.07201 ++ {0.0} {} {} 45.60949 1.03626 1.35943 ++ {0.0} {} {} 119.37662 0.43895 0.56649 ++ {0.0} {} 32.054977417 1.0321 0 {} 0 0 0 64 {} 8.22401 0.03232 0.03855 ++ {0.0} {} {} 45.16960 1.05460 1.29486 ++ {0.0} {} {} 119.66447 0.06288 0.07867 ++ {0.0} {} -11.6657247543 -0.9778 0 {} 0 0 0 65 {} 8.38680 0.03356 0.04372 ++ {0.0} {} {} 38.66671 1.06531 1.39100 ++ {0.0} {} {} 119.64437 0.47712 0.64150 ++ {0.0} {} 22.3761482239 1.1171 0 {} 0 0 0 66 {} 7.89232 0.02951 0.05818 ++ {0.0} {} {} 59.48978 0.82145 1.77360 ++ {0.0} {} {} 119.21817 0.53977 1.15592 ++ {0.0} {} 100.083282471 2.9931 0 {} 0 0 0 67 {} 7.91656 0.04274 0.08839 ++ {0.0} {} {} 59.16562 1.15495 1.64992 ++ {0.0} {} {} 119.22392 0.53121 1.10011 ++ {0.0} {} 157.179504395 2.9100 0 {} 0 0 0 68 {} 7.76986 0.03009 0.06062 ++ {0.0} {} {} 59.05589 0.88520 1.76612 ++ {0.0} {} {} 119.21487 0.53195 1.12126 ++ {0.0} {} 62.121055603 2.8507 0 {} 0 0 0 69 {} 8.55453 0.04021 0.05645 ++ {0.0} {} {} 58.74278 0.86790 1.23618 ++ {0.0} {} {} 119.26391 0.47786 0.65687 ++ {0.0} {} 28.327299118 1.1708 0 {} 0 0 0 70 {} 8.20876 0.03763 0.05840 ++ {0.0} {} {} 58.22497 0.97266 1.54915 ++ {0.0} {} {} 119.09156 0.51244 0.77559 ++ {0.0} {} 43.9689826965 1.5052 0 {} 0 0 0 71 {} 7.92212 0.03180 0.04763 ++ {0.0} {} {} 41.70039 0.98397 1.51488 ++ {0.0} {} {} 119.15079 0.61769 0.97125 ++ {0.0} {} 26.7758769989 1.4452 0 {} 0 0 0 72 {} 7.77276 0.03952 0.03438 ++ {0.0} {} {} 32.58032 0.92244 0.76614 ++ {0.0} {} {} 119.19846 0.55770 0.46321 ++ {0.0} {} 11.2196111679 0.6261 0 {} 0 0 0 73 {} 8.20874 0.03724 0.03717 ++ {0.0} {} {} 30.22862 0.92705 0.92478 ++ {0.0} {} {} 119.10794 0.53694 0.53563 ++ {0.0} {} 13.1668081284 0.7305 0 {} 0 0 0 74 {} 7.89495 0.04347 0.05617 ++ {0.0} {} {} 29.96191 0.75161 1.07466 ++ {0.0} {} {} 119.21100 0.55479 0.79481 ++ {0.0} {} 38.1263885498 1.2842 0 {} 0 0 0 75 {} 7.76890 0.02987 0.02886 ++ {0.0} {} {} 30.10339 0.99946 0.95780 ++ {0.0} {} {} 119.21925 0.51983 0.49817 ++ {0.0} {} 10.8523626328 0.7029 0 {} 0 0 0 76 {} 8.55406 0.04073 0.03002 ++ {0.0} {} {} 28.38458 0.73531 0.50242 ++ {0.0} {} {} 119.26400 0.48508 0.33144 ++ {0.0} {} 8.3721075058 0.5561 0 {} 0 0 0 77 {} 7.95157 0.03264 0.05185 ++ {0.0} {} {} 60.18183 1.09468 1.64539 ++ {0.0} {} {} 118.94740 0.45864 0.71507 ++ {0.0} {} 52.119228363 1.6608 0 {} 0 0 0 78 {} 8.22018 0.03558 0.12984 ++ {0.0} {} {} 45.17705 1.06115 1.78179 ++ {0.0} {} {} 118.79822 0.63500 1.33668 ++ {0.0} {} 334.695861816 12.8632 0 {} 0 0 0 79 {} 7.95164 0.03236 0.03385 ++ {0.0} {} {} 39.04904 0.87880 0.92879 ++ {0.0} {} {} 118.93703 0.45745 0.48346 ++ {0.0} {} 13.3692321777 0.7764 0 {} 0 0 0 80 {} 8.20082 0.04276 0.00420 ++ {0.0} {} {} 32.10071 0.96866 0.07181 ++ {0.0} {} {} 118.72713 0.51467 0.03815 ++ {0.0} {} 0.757741093636 0.3802 0 {} 0 0 0 81 {} 8.02090 0.03345 0.05187 ++ {0.0} {} {} 61.04133 0.84354 1.43182 ++ {0.0} {} {} 118.18610 0.48360 0.74376 ++ {0.0} {} 35.6541290283 1.5848 0 {} 0 0 0 82 {} 7.50885 0.03175 0.05344 ++ {0.0} {} {} 56.41119 0.73539 1.40495 ++ {0.0} {} {} 118.26089 0.44525 0.73265 ++ {0.0} {} 57.2611312866 2.0655 0 {} 0 0 0 83 {} 8.23437 0.03233 0.04536 ++ {0.0} {} {} 54.94735 0.76978 1.08200 ++ {0.0} {} {} 118.11576 0.56901 0.80746 ++ {0.0} {} 27.2308673859 1.2319 0 {} 0 0 0 84 {} 8.02037 0.03304 0.03310 ++ {0.0} {} {} 32.70566 0.98774 0.98973 ++ {0.0} {} {} 118.18492 0.49287 0.49386 ++ {0.0} {} 12.1079730988 0.7337 0 {} 0 0 0 85 {} 7.50875 0.03211 0.04041 ++ {0.0} {} {} 30.46373 0.74473 0.96496 ++ {0.0} {} {} 118.25929 0.44851 0.58115 ++ {0.0} {} 21.5184249878 1.0397 0 {} 0 0 0 86 {} 8.23459 0.03173 0.03674 ++ {0.0} {} {} 18.56602 0.90081 1.04784 ++ {0.0} {} {} 118.11637 0.57799 0.67233 ++ {0.0} {} 16.1610336304 0.8751 0 {} 0 0 0 87 {} 8.76431 0.03355 0.05138 ++ {0.0} {} {} 60.93271 0.73462 1.13194 ++ {0.0} {} {} 117.76933 0.55014 0.88485 ++ {0.0} {} 34.5272750854 1.5077 0 {} 0 0 0 88 {} 8.27629 0.03172 0.05823 ++ {0.0} {} {} 59.82377 0.76761 1.53281 ++ {0.0} {} {} 117.75462 0.58023 1.11523 ++ {0.0} {} 51.0378265381 2.4555 0 {} 0 0 0 89 {} 7.92557 0.02859 0.05437 ++ {0.0} {} {} 58.70087 0.99018 1.74409 ++ {0.0} {} {} 117.57063 0.43678 0.75272 ++ {0.0} {} 53.760017395 2.6466 0 {} 0 0 0 90 {} 8.76432 0.03322 0.03880 ++ {0.0} {} {} 37.07708 0.93317 1.12331 ++ {0.0} {} {} 117.76583 0.54970 0.65816 ++ {0.0} {} 16.4833755493 0.9122 0 {} 0 0 0 91 {} 8.27638 0.02988 0.03770 ++ {0.0} {} {} 29.66620 1.06222 1.28785 ++ {0.0} {} {} 117.75497 0.57167 0.70462 ++ {0.0} {} 15.704199791 0.9541 0 {} 0 0 0 92 {} 7.92558 0.02850 0.03973 ++ {0.0} {} {} 27.75608 0.85444 1.23663 ++ {0.0} {} {} 117.56751 0.42496 0.59076 ++ {0.0} {} 21.7003955841 1.2007 0 {} 0 0 0 93 {} 7.67541 0.03452 0.06227 ++ {0.0} {} {} 55.65143 1.05364 1.66497 ++ {0.0} {} {} 116.99300 0.60927 1.07008 ++ {0.0} {} 40.8928375244 2.0467 0 {} 0 0 0 94 {} 7.67552 0.03460 0.04414 ++ {0.0} {} {} 35.94458 0.74034 0.96241 ++ {0.0} {} {} 116.99376 0.61171 0.81259 ++ {0.0} {} 21.1522693634 1.0460 0 {} 0 0 0 95 {} 8.51947 0.06022 0.07171 ++ {0.0} {} {} 63.42834 0.73039 0.87808 ++ {0.0} {} {} 116.05377 0.46919 0.56406 ++ {0.0} {} 27.0289859772 0.9178 0 {} 0 0 0 96 {} 8.51930 0.05853 0.03480 ++ {0.0} {} {} 32.15553 1.05522 0.48951 ++ {0.0} {} {} 116.05357 0.45875 0.21129 ++ {0.0} {} 4.75626754761 0.4757 0 {} 0 0 0 97 {} 8.12445 0.07067 0.03893 ++ {0.0} {} {} 63.78853 0.82300 0.37726 ++ {0.0} {} {} 115.15140 0.56869 0.26068 ++ {0.0} {} 4.70161437988 0.4750 0 {} 0 0 0 98 {} 8.12446 0.07622 0.05772 ++ {0.0} {} {} 58.59578 0.99207 0.68397 ++ {0.0} {} {} 115.15179 0.56663 0.39066 ++ {0.0} {} 15.2170753479 0.5587 0 {} 0 0 0 99 {} 7.41707 0.03476 0.06292 ++ {0.0} {} {} 58.12019 1.04278 1.72602 ++ {0.0} {} {} 114.88403 0.55939 1.11157 ++ {0.0} {} 49.280960083 2.4698 0 {} 0 0 0 100 {} 7.41697 0.03448 0.04254 ++ {0.0} {} {} 29.46699 0.75403 0.97249 ++ {0.0} {} {} 114.88354 0.56260 0.72560 ++ {0.0} {} 19.9805545807 1.0309 0 {} 0 0 0 101 {} 8.05041 0.03137 0.05333 ++ {0.0} {} {} 58.20919 0.95379 1.55681 ++ {0.0} {} {} 114.11028 0.60292 0.98873 ++ {0.0} {} 31.3229255676 1.6260 0 {} 0 0 0 102 {} 8.05095 0.03293 0.03085 ++ {0.0} {} {} 41.18606 1.03127 0.97219 ++ {0.0} {} {} 114.10799 0.60812 0.57328 ++ {0.0} {} 11.4620704651 0.6926 0 {} 0 0 0 103 {} 7.64865 0.02289 0.00317 ++ {0.0} {} {} 34.58810 0.96959 0.12452 ++ {0.0} {} {} 112.04764 0.73534 0.09444 ++ {0.0} {} 0.74756538868 0.3912 0 {} 0 0 0 104 {} 6.89445 0.05069 0.04488 ++ {0.0} {} {} 34.12281 1.31864 1.19021 ++ {0.0} {} {} 111.80042 0.67670 0.58927 ++ {0.0} {} 19.2654037476 0.6485 0 {} 0 0 0 105 {} 7.50166 0.04235 0.03991 ++ {0.0} {} {} 33.81075 0.81463 0.75969 ++ {0.0} {} {} 111.79949 0.87476 0.80589 ++ {0.0} {} 22.7452831268 0.6860 0 {} 0 0 0 106 {} 8.41221 0.03910 0.06124 ++ {0.0} {} {} 57.03426 0.85294 1.47044 ++ {0.0} {} {} 110.44117 0.49538 0.76054 ++ {0.0} {} 42.2892074585 1.5756 0 {} 0 0 0 107 {} 8.41162 0.03814 0.04659 ++ {0.0} {} {} 30.55767 0.88132 1.08782 ++ {0.0} {} {} 110.44003 0.49644 0.61275 ++ {0.0} {} 21.8522548676 0.9563 0 {} 0 0 0 108 {} 8.03256 0.05007 0.04728 ++ {0.0} {} {} 56.94191 0.78131 0.72797 ++ {0.0} {} {} 108.11416 0.48064 0.44783 ++ {0.0} {} 15.0593748093 0.6854 0 {} 0 0 0 109 {} 8.03346 0.04716 0.00413 ++ {0.0} {} {} 30.01421 0.85251 0.03587 ++ {0.0} {} {} 108.11398 0.48928 0.02059 ++ {0.0} {} 0.373985916376 0.3740 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 . 'not observed' 2105.508 Hz . . . 4.788 . . 31014 8 2 . . H 1 H . 'not observed' 6595.544 Hz . . . 4.788 . . 31014 8 3 . . N 15 HN . 'not observed' 1399.997 Hz . . . 119.161 . . 31014 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 31014 _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 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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H1 C13 N15 HNCACB.nv 2105.50805664 9649.14257813 1400.02099609 599.598022461 150.774993896 60.763999939 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 {} 8.01457 0.02075 0.01718 ++ {0.0} {} {} 56.75509 1.01497 0.81872 ++ {0.0} {} {} 130.21022 0.53624 0.43255 ++ {0.0} {} 0.880348324776 0.0736 0 {} 0 0 0 1 {} 8.04388 0.01991 0.02563 ++ {0.0} {} {} 55.98785 0.72366 0.95202 ++ {0.0} {} {} 130.28343 0.69990 2.29892 ++ {0.0} {} -4.36434316635 -0.1283 0 {} 0 0 0 2 {} 8.04034 0.02438 0.02114 ++ {0.0} {} {} 42.44082 0.76505 0.62015 ++ {0.0} {} {} 130.30580 0.62675 1.19661 ++ {0.0} {} 1.69760870934 0.0738 0 {} 0 0 0 3 {} 8.04553 0.02599 0.04580 ++ {0.0} {} {} 55.99884 0.75736 1.77530 ++ {0.0} {} {} 128.24751 0.17682 0.32075 ++ {0.0} {} -4.52611780167 -0.4721 0 {} 0 0 0 4 {} 8.04191 0.02509 0.02781 ++ {0.0} {} {} 31.46838 0.74704 0.84345 ++ {0.0} {} {} 128.24219 0.15224 0.17189 ++ {0.0} {} 0.694361507893 0.1008 0 {} 0 0 0 5 {} 8.09188 0.02389 0.00418 ++ {0.0} {} {} 58.08757 0.86073 0.14925 ++ {0.0} {} {} 127.77431 0.59344 0.10290 ++ {0.0} {} 0.0944077074528 0.0481 0 {} 0 0 0 6 {} 7.77556 0.01978 0.00709 ++ {0.0} {} {} 57.77927 0.73621 0.23682 ++ {0.0} {} {} 127.37079 0.54971 0.17683 ++ {0.0} {} 0.100277863443 0.0523 0 {} 0 0 0 7 {} 8.04118 0.02813 0.07233 ++ {0.0} {} {} 55.98177 0.73814 2.02975 ++ {0.0} {} {} 127.27175 0.44693 1.28670 ++ {0.0} {} 157.732192993 7.1901 0 {} 0 0 0 8 {} 8.04150 0.02713 0.06603 ++ {0.0} {} {} 42.33656 0.67966 1.89402 ++ {0.0} {} {} 127.26959 0.44527 1.27074 ++ {0.0} {} -105.203659058 -4.9466 0 {} 0 0 0 9 {} 8.04172 0.02727 0.05990 ++ {0.0} {} {} 31.45534 0.75002 2.08130 ++ {0.0} {} {} 127.26953 0.44093 1.14693 ++ {0.0} {} -36.5488624573 -1.5845 0 {} 0 0 0 10 {} 8.04037 0.02979 0.03180 ++ {0.0} {} {} 30.01276 0.19796 0.21557 ++ {0.0} {} {} 127.32288 0.49789 0.54218 ++ {0.0} {} 0.684382975101 0.0964 0 {} 0 0 0 11 {} 8.03955 0.02490 0.02287 ++ {0.0} {} {} 60.17546 1.21113 1.10297 ++ {0.0} {} {} 127.26093 0.51483 0.44989 ++ {0.0} {} 1.15377008915 0.0780 0 {} 0 0 0 12 {} 8.00315 0.00469 0.00396 ++ {0.0} {} {} 55.96972 0.69687 0.58842 ++ {0.0} {} {} 127.01769 0.35201 0.29723 ++ {0.0} {} -0.387277215719 -0.0760 0 {} 0 0 0 13 {} 8.04044 0.02784 0.01900 ++ {0.0} {} {} 47.15689 1.26855 0.66392 ++ {0.0} {} {} 127.24921 0.45870 0.22062 ++ {0.0} {} -0.72058147192 -0.0578 0 {} 0 0 0 14 {} 8.00352 0.00742 0.00576 ++ {0.0} {} {} 42.24921 0.78836 0.61169 ++ {0.0} {} {} 127.05390 0.50710 0.39346 ++ {0.0} {} 0.319185853004 0.0717 0 {} 0 0 0 15 {} 8.04129 0.02618 0.04266 ++ {0.0} {} {} 40.98004 0.13638 0.23350 ++ {0.0} {} {} 127.25791 0.46283 0.79424 ++ {0.0} {} 3.37492346764 0.3051 0 {} 0 0 0 16 {} 8.43105 0.02601 0.00925 ++ {0.0} {} {} 54.32508 0.72809 0.21866 ++ {0.0} {} {} 125.95852 0.58293 0.35441 ++ {0.0} {} -0.331732720137 -0.0517 0 {} 0 0 0 17 {} 7.95062 0.02981 0.03794 ++ {0.0} {} {} 57.34745 0.65488 0.91758 ++ {0.0} {} {} 124.59010 0.64980 0.96905 ++ {0.0} {} 2.56581115723 0.1467 0 {} 0 0 0 18 {} 7.85401 0.02986 0.00885 ++ {0.0} {} {} 57.11250 0.95759 0.23688 ++ {0.0} {} {} 124.56624 0.66844 0.16535 ++ {0.0} {} 0.0959958583117 0.0501 0 {} 0 0 0 19 {} 7.94896 0.02776 0.03136 ++ {0.0} {} {} 45.42438 0.64333 0.74198 ++ {0.0} {} {} 124.61391 0.56064 0.64661 ++ {0.0} {} 1.60056495667 0.1037 0 {} 0 0 0 20 {} 7.94948 0.02587 0.03070 ++ {0.0} {} {} 30.54879 0.80857 0.99734 ++ {0.0} {} {} 124.59639 0.64407 0.79589 ++ {0.0} {} -1.70643997192 -0.1146 0 {} 0 0 0 21 {} 8.40733 0.02727 0.00681 ++ {0.0} {} {} 56.29342 0.75452 0.11826 ++ {0.0} {} {} 124.36992 0.03268 0.00512 ++ {0.0} {} -0.092098839581 -0.0476 0 {} 0 0 0 22 {} 8.47167 0.03560 0.03982 ++ {0.0} {} {} 52.88016 0.66701 0.77146 ++ {0.0} {} {} 124.22643 0.62478 0.72261 ++ {0.0} {} 2.05071234703 0.1041 0 {} 0 0 0 23 {} 8.47249 0.02781 0.02211 ++ {0.0} {} {} 19.31349 0.70789 0.52513 ++ {0.0} {} {} 124.22422 0.72110 0.53493 ++ {0.0} {} -0.912020027637 -0.0698 0 {} 0 0 0 24 {} 8.16292 0.03825 0.07017 ++ {0.0} {} {} 58.10050 0.86632 1.63723 ++ {0.0} {} {} 123.90796 0.53171 1.08145 ++ {0.0} {} 6.56284475327 0.3169 0 {} 0 0 0 25 {} 8.16236 0.03834 0.09040 ++ {0.0} {} {} 55.97668 0.70385 1.86232 ++ {0.0} {} {} 123.89164 0.71154 1.48131 ++ {0.0} {} 26.2343273163 0.8535 0 {} 0 0 0 26 {} 8.43482 0.02483 0.03192 ++ {0.0} {} {} 54.28507 0.69181 0.96679 ++ {0.0} {} {} 123.97728 0.06998 0.09780 ++ {0.0} {} -1.2115893364 -0.1458 0 {} 0 0 0 27 {} 8.11698 0.02668 0.00190 ++ {0.0} {} {} 42.56005 0.84102 0.06044 ++ {0.0} {} {} 123.81102 0.72599 0.05807 ++ {0.0} {} 0.0455491133034 0.0455 0 {} 0 0 0 28 {} 8.43117 0.02179 0.02830 ++ {0.0} {} {} 41.16427 0.97204 1.43169 ++ {0.0} {} {} 123.98261 0.05842 0.08462 ++ {0.0} {} 1.26676082611 0.1592 0 {} 0 0 0 29 {} 8.16185 0.04063 0.06121 ++ {0.0} {} {} 38.83369 0.72469 1.24839 ++ {0.0} {} {} 123.92921 0.51524 0.84650 ++ {0.0} {} -5.58929920197 -0.2110 0 {} 0 0 0 30 {} 8.16203 0.03795 0.09401 ++ {0.0} {} {} 33.30223 0.74288 1.77846 ++ {0.0} {} {} 123.90531 0.54602 1.27259 ++ {0.0} {} -16.8390598297 -0.6187 0 {} 0 0 0 31 {} 8.28705 0.02253 0.01173 ++ {0.0} {} {} 56.66611 0.99001 0.42432 ++ {0.0} {} {} 123.46408 2.01144 1.56150 ++ {0.0} {} -0.649764060974 -0.0559 0 {} 0 0 0 32 {} 8.40125 0.04511 0.16716 ++ {0.0} {} {} 56.25221 0.96539 1.37914 ++ {0.0} {} {} 123.51985 0.60069 1.32289 ++ {0.0} {} 43.9433441162 1.0236 0 {} 0 0 0 33 {} 8.15459 0.03049 0.04548 ++ {0.0} {} {} 53.99070 0.76218 1.22394 ++ {0.0} {} {} 123.60660 0.10769 0.16907 ++ {0.0} {} -3.22723340988 -0.2042 0 {} 0 0 0 34 {} 8.40183 0.04504 0.11845 ++ {0.0} {} {} 31.03656 0.82965 1.95204 ++ {0.0} {} {} 123.52938 0.57419 1.24443 ++ {0.0} {} -20.4971046448 -0.5015 0 {} 0 0 0 35 {} 8.15388 0.03078 0.04417 ++ {0.0} {} {} 30.23898 0.76631 1.32436 ++ {0.0} {} {} 123.59928 0.10570 0.16533 ++ {0.0} {} 2.1687169075 0.2015 0 {} 0 0 0 36 {} 8.42857 0.03362 0.08803 ++ {0.0} {} {} 62.31746 0.71281 1.86184 ++ {0.0} {} {} 123.10470 0.65328 1.29675 ++ {0.0} {} 16.2686843872 0.7604 0 {} 0 0 0 37 {} 8.09210 0.02990 0.00482 ++ {0.0} {} {} 58.13953 0.97914 0.15859 ++ {0.0} {} {} 123.10341 0.69917 0.12011 ++ {0.0} {} -0.0936487242579 -0.0478 0 {} 0 0 0 38 {} 8.42813 0.03382 0.11008 ++ {0.0} {} {} 54.30266 0.70169 1.91283 ++ {0.0} {} {} 123.09831 0.63527 1.36945 ++ {0.0} {} 56.0515480042 2.3274 0 {} 0 0 0 39 {} 8.42786 0.02860 0.00319 ++ {0.0} {} {} 44.77376 0.25122 0.35889 ++ {0.0} {} {} 123.11098 0.72349 0.07251 ++ {0.0} {} -0.0853582322598 -0.0462 0 {} 0 0 0 40 {} 8.42821 0.03376 0.11013 ++ {0.0} {} {} 41.19329 0.97071 1.71808 ++ {0.0} {} {} 123.09917 0.63178 1.35943 ++ {0.0} {} -51.5197868347 -2.4651 0 {} 0 0 0 41 {} 8.18295 0.02469 0.01698 ++ {0.0} {} {} 41.19929 0.94385 0.52081 ++ {0.0} {} {} 123.13819 0.95696 0.59555 ++ {0.0} {} 0.574937641621 0.0606 0 {} 0 0 0 42 {} 8.13996 0.02443 0.02156 ++ {0.0} {} {} 41.17995 0.98760 0.83392 ++ {0.0} {} {} 123.22672 0.13651 0.11527 ++ {0.0} {} 0.553757548332 0.0760 0 {} 0 0 0 43 {} 8.42833 0.03397 0.08099 ++ {0.0} {} {} 32.75619 0.82914 1.87331 ++ {0.0} {} {} 123.11137 0.68639 1.30969 ++ {0.0} {} -19.9117774963 -0.5549 0 {} 0 0 0 44 {} 8.36659 0.03841 0.06440 ++ {0.0} {} {} 29.50090 0.75407 1.07725 ++ {0.0} {} {} 123.21173 0.50944 0.97523 ++ {0.0} {} -7.00350666046 -0.2731 0 {} 0 0 0 45 {} 7.97795 0.03341 0.01529 ++ {0.0} {} {} 59.02394 0.74979 0.12996 ++ {0.0} {} {} 122.90148 0.05732 0.00994 ++ {0.0} {} -0.138399988413 -0.0481 0 {} 0 0 0 46 {} 8.71511 0.02858 0.00748 ++ {0.0} {} {} 57.14505 0.96024 0.21021 ++ {0.0} {} {} 122.92088 0.04972 0.01088 ++ {0.0} {} -0.0932904332876 -0.0493 0 {} 0 0 0 47 {} 8.15414 0.03193 0.07204 ++ {0.0} {} {} 56.57460 0.99340 1.78685 ++ {0.0} {} {} 122.71093 0.58124 1.39671 ++ {0.0} {} 29.1664543152 0.8835 0 {} 0 0 0 48 {} 8.16972 0.03252 0.01439 ++ {0.0} {} {} 60.96558 0.67751 0.17251 ++ {0.0} {} {} 122.44685 0.25918 0.06599 ++ {0.0} {} -0.265611886978 -0.0503 0 {} 0 0 0 49 {} 8.54657 0.03340 0.00835 ++ {0.0} {} {} 57.00129 0.68799 0.10675 ++ {0.0} {} {} 122.49458 0.14328 0.02223 ++ {0.0} {} -0.0917895138264 -0.0476 0 {} 0 0 0 50 {} 8.12180 0.02397 0.03824 ++ {0.0} {} {} 55.72586 0.41296 0.69454 ++ {0.0} {} {} 122.54771 0.06162 0.10364 ++ {0.0} {} 0.872665882111 -0.2760 0 {} 0 0 0 51 {} 8.14076 0.03668 0.08866 ++ {0.0} {} {} 54.29095 0.78686 1.99010 ++ {0.0} {} {} 122.31783 0.69279 1.99663 ++ {0.0} {} 191.098266602 4.8892 0 {} 0 0 0 52 {} 8.11772 0.01758 0.02328 ++ {0.0} {} {} 42.44251 0.70510 0.95207 ++ {0.0} {} {} 122.56239 0.03401 0.04592 ++ {0.0} {} 1.20924866199 0.1352 0 {} 0 0 0 53 {} 8.13834 0.02483 0.02755 ++ {0.0} {} {} 38.19347 0.86406 0.98265 ++ {0.0} {} {} 122.33506 0.75003 0.87977 ++ {0.0} {} 1.76292562485 0.1018 0 {} 0 0 0 54 {} 8.14287 0.03851 0.14001 ++ {0.0} {} {} 30.14251 1.04113 1.57752 ++ {0.0} {} {} 122.37245 0.88725 1.98530 ++ {0.0} {} -110.321723938 -3.2278 0 {} 0 0 0 55 {} 8.34294 0.03192 0.01838 ++ {0.0} {} {} 60.94448 0.65351 0.31010 ++ {0.0} {} {} 122.17548 0.08467 0.04018 ++ {0.0} {} -0.38852751255 -0.0576 0 {} 0 0 0 56 {} 7.97689 0.03689 0.08792 ++ {0.0} {} {} 58.98623 0.72466 1.83165 ++ {0.0} {} {} 122.04236 0.61669 1.36467 ++ {0.0} {} 16.0170345306 0.6756 0 {} 0 0 0 57 {} 8.09388 0.03541 0.08798 ++ {0.0} {} {} 58.15224 0.97208 1.93129 ++ {0.0} {} {} 122.12537 0.50569 1.32649 ++ {0.0} {} 24.8526515961 0.9522 0 {} 0 0 0 58 {} 8.70763 0.04042 0.11570 ++ {0.0} {} {} 56.98366 0.85170 1.95772 ++ {0.0} {} {} 122.07285 0.60038 1.28136 ++ {0.0} {} 24.8949069977 0.7608 0 {} 0 0 0 59 {} 8.04149 0.01827 0.01991 ++ {0.0} {} {} 55.74609 0.73598 0.22107 ++ {0.0} {} {} 122.06818 0.67252 0.20201 ++ {0.0} {} 0.183604672551 0.0517 0 {} 0 0 0 60 {} 8.13640 0.03483 0.04571 ++ {0.0} {} {} 52.96891 0.09787 0.13568 ++ {0.0} {} {} 122.10426 0.51206 0.70983 ++ {0.0} {} -1.55495429039 -0.1431 0 {} 0 0 0 61 {} 7.97717 0.03727 0.06997 ++ {0.0} {} {} 32.16381 1.00052 1.78967 ++ {0.0} {} {} 122.04315 0.62218 1.16644 ++ {0.0} {} -7.50037240982 -0.3471 0 {} 0 0 0 62 {} 8.70703 0.04081 0.08812 ++ {0.0} {} {} 30.28508 0.46412 1.90087 ++ {0.0} {} {} 122.07274 0.59710 1.22446 ++ {0.0} {} -16.3099517822 -0.4871 0 {} 0 0 0 63 {} 7.97677 0.03798 0.04189 ++ {0.0} {} {} 29.29521 0.63398 0.71991 ++ {0.0} {} {} 122.04253 0.62301 0.70744 ++ {0.0} {} -1.66245353222 -0.1016 0 {} 0 0 0 64 {} 8.16346 0.03620 0.09501 ++ {0.0} {} {} 61.01957 0.72594 1.75147 ++ {0.0} {} {} 121.54562 0.44292 0.88199 ++ {0.0} {} 13.1152610779 0.5218 0 {} 0 0 0 65 {} 8.38035 0.02916 0.03442 ++ {0.0} {} {} 60.11719 0.75826 0.93842 ++ {0.0} {} {} 121.83834 0.06145 0.07605 ++ {0.0} {} -1.21501421928 -0.1152 0 {} 0 0 0 66 {} 8.22161 0.02555 0.01938 ++ {0.0} {} {} 59.12318 0.97747 0.67356 ++ {0.0} {} {} 121.77586 0.11731 0.08084 ++ {0.0} {} -0.464087426662 -0.0670 0 {} 0 0 0 67 {} 8.15594 0.02479 0.02629 ++ {0.0} {} {} 57.87472 0.67188 0.73774 ++ {0.0} {} {} 121.81979 0.06898 0.07574 ++ {0.0} {} -0.640917897224 -0.0974 0 {} 0 0 0 68 {} 8.54344 0.03557 0.09106 ++ {0.0} {} {} 56.99360 0.70747 1.85580 ++ {0.0} {} {} 121.51385 0.44267 1.03312 ++ {0.0} {} 24.0915908813 0.7966 0 {} 0 0 0 69 {} 8.11362 0.02978 0.08901 ++ {0.0} {} {} 55.53790 0.82416 2.11424 ++ {0.0} {} {} 121.70374 0.65361 1.37319 ++ {0.0} {} 133.069320679 3.9607 0 {} 0 0 0 70 {} 8.07428 0.02986 0.04884 ++ {0.0} {} {} 53.66088 0.95166 1.74921 ++ {0.0} {} {} 121.60082 0.52216 1.05934 ++ {0.0} {} 12.0633935928 0.3190 0 {} 0 0 0 71 {} 8.11405 0.02788 0.01872 ++ {0.0} {} {} 46.69489 0.70724 1.01034 ++ {0.0} {} {} 121.73847 0.54597 0.30905 ++ {0.0} {} -0.718957185745 -0.0612 0 {} 0 0 0 72 {} 8.11127 0.02223 0.00880 ++ {0.0} {} {} 45.09853 0.97240 0.94764 ++ {0.0} {} {} 121.72122 0.60398 0.24822 ++ {0.0} {} -0.291902899742 -0.0553 0 {} 0 0 0 73 {} 8.11342 0.02995 0.08875 ++ {0.0} {} {} 42.41721 0.73898 1.05568 ++ {0.0} {} {} 121.70536 0.65898 1.37032 ++ {0.0} {} -85.8828430176 -2.7644 0 {} 0 0 0 74 {} 8.11365 0.02752 0.03850 ++ {0.0} {} {} 39.96718 0.14872 0.21708 ++ {0.0} {} {} 121.72361 0.60258 0.94733 ++ {0.0} {} 1.94909584522 0.1625 0 {} 0 0 0 75 {} 8.16409 0.03383 0.07362 ++ {0.0} {} {} 32.76503 0.83441 1.78124 ++ {0.0} {} {} 121.54053 0.49639 1.31146 ++ {0.0} {} -11.128367424 -0.3701 0 {} 0 0 0 76 {} 8.54413 0.03591 0.08473 ++ {0.0} {} {} 30.62850 1.04664 1.49520 ++ {0.0} {} {} 121.51063 0.44183 0.94759 ++ {0.0} {} -17.0771694183 -0.6088 0 {} 0 0 0 77 {} 8.08701 0.02205 0.02286 ++ {0.0} {} {} 59.48074 0.67757 0.71224 ++ {0.0} {} {} 121.47193 0.05443 0.05721 ++ {0.0} {} -0.527696490288 -0.0926 0 {} 0 0 0 78 {} 8.32884 0.02615 0.02082 ++ {0.0} {} {} 57.99951 0.24995 0.18793 ++ {0.0} {} {} 121.42751 0.13693 0.10296 ++ {0.0} {} -0.239910766482 -0.0704 0 {} 0 0 0 79 {} 8.29532 0.01202 0.01120 ++ {0.0} {} {} 56.69501 0.83657 0.77945 ++ {0.0} {} {} 121.48201 0.03829 0.03567 ++ {0.0} {} -0.292016208172 -0.0822 0 {} 0 0 0 80 {} 8.32479 0.01883 0.01070 ++ {0.0} {} {} 38.77792 0.77954 0.43473 ++ {0.0} {} {} 121.46076 0.07008 0.03908 ++ {0.0} {} 0.203340470791 0.0609 0 {} 0 0 0 81 {} 8.34138 0.03609 0.07734 ++ {0.0} {} {} 37.11582 0.98448 1.85686 ++ {0.0} {} {} 121.32708 0.61861 1.21113 ++ {0.0} {} -12.2102804184 -0.4738 0 {} 0 0 0 82 {} 8.08683 0.01948 0.00090 ++ {0.0} {} {} 29.96685 0.45991 0.01746 ++ {0.0} {} {} 121.45411 0.04474 0.00170 ++ {0.0} {} 0.0447619184852 0.0448 0 {} 0 0 0 83 {} 8.34057 0.03372 0.04743 ++ {0.0} {} {} 28.39371 0.67483 0.97562 ++ {0.0} {} {} 121.30901 0.67949 0.98999 ++ {0.0} {} -2.80088281631 -0.1585 0 {} 0 0 0 84 {} 8.37245 0.03136 0.15073 ++ {0.0} {} {} 60.19059 1.00663 1.79925 ++ {0.0} {} {} 120.99489 0.65231 1.37027 ++ {0.0} {} 92.6563186646 1.5233 0 {} 0 0 0 85 {} 8.40483 0.02590 0.03587 ++ {0.0} {} {} 59.06278 0.45407 0.64899 ++ {0.0} {} {} 121.07024 0.09793 0.13997 ++ {0.0} {} -0.946279346943 -0.1539 0 {} 0 0 0 86 {} 8.21398 0.02888 0.09769 ++ {0.0} {} {} 59.11726 0.97617 1.72162 ++ {0.0} {} {} 120.89119 0.53472 1.32488 ++ {0.0} {} 33.0708351135 1.0756 0 {} 0 0 0 87 {} 7.99850 0.03498 0.08174 ++ {0.0} {} {} 59.08022 1.00179 1.79092 ++ {0.0} {} {} 120.82867 0.73418 1.70150 ++ {0.0} {} 22.5223617554 0.8465 0 {} 0 0 0 88 {} 8.14806 0.03352 0.09769 ++ {0.0} {} {} 57.93709 0.90335 1.29051 ++ {0.0} {} {} 120.99136 0.59334 1.29580 ++ {0.0} {} 37.9999275208 1.2032 0 {} 0 0 0 89 {} 8.21600 0.03416 0.08198 ++ {0.0} {} {} 57.28392 0.85009 1.85808 ++ {0.0} {} {} 120.89104 0.53353 1.13486 ++ {0.0} {} 13.6858816147 0.3297 0 {} 0 0 0 90 {} 8.10672 0.01537 0.01867 ++ {0.0} {} {} 55.61905 0.86849 1.06756 ++ {0.0} {} {} 120.81181 0.03276 0.04027 ++ {0.0} {} -0.556145846844 -0.1139 0 {} 0 0 0 91 {} 8.29882 0.02902 0.03609 ++ {0.0} {} {} 54.48914 0.31368 0.42023 ++ {0.0} {} {} 121.10824 0.05444 0.07293 ++ {0.0} {} -1.17304992676 -0.1330 0 {} 0 0 0 92 {} 8.18659 0.02593 0.03933 ++ {0.0} {} {} 54.58238 0.81508 1.54017 ++ {0.0} {} {} 121.09599 0.06696 0.10938 ++ {0.0} {} -2.23289346695 -0.2396 0 {} 0 0 0 93 {} 7.96104 0.02639 0.02081 ++ {0.0} {} {} 53.51253 0.74337 0.52860 ++ {0.0} {} {} 120.80129 0.46580 0.33123 ++ {0.0} {} 0.801461935043 0.0681 0 {} 0 0 0 94 {} 8.10772 0.01800 0.01343 ++ {0.0} {} {} 42.53722 0.77086 0.53070 ++ {0.0} {} {} 120.80817 0.02671 0.01839 ++ {0.0} {} 0.259653449059 0.0670 0 {} 0 0 0 95 {} 8.14825 0.03067 0.06080 ++ {0.0} {} {} 41.73006 0.84507 1.78516 ++ {0.0} {} {} 120.99112 0.62204 1.50968 ++ {0.0} {} -64.8846054077 -0.8914 0 {} 0 0 0 96 {} 8.29533 0.02643 0.03655 ++ {0.0} {} {} 41.15848 0.76930 1.05052 ++ {0.0} {} {} 121.10612 0.05496 0.07563 ++ {0.0} {} 1.32001817226 0.1408 0 {} 0 0 0 97 {} 8.06999 0.04391 0.08987 ++ {0.0} {} {} 38.83473 0.69441 1.45445 ++ {0.0} {} {} 120.80865 0.44451 0.77992 ++ {0.0} {} -12.4126205444 -0.3578 0 {} 0 0 0 98 {} 8.21581 0.03265 0.05421 ++ {0.0} {} {} 37.46378 0.73239 1.40187 ++ {0.0} {} {} 120.89095 0.52505 0.92857 ++ {0.0} {} -5.09716939926 -0.2280 0 {} 0 0 0 99 {} 8.37256 0.03033 0.05106 ++ {0.0} {} {} 35.39826 0.67486 1.14056 ++ {0.0} {} {} 121.00546 0.56178 1.04880 ++ {0.0} {} -5.11830091476 -0.2468 0 {} 0 0 0 100 {} 8.37264 0.03129 0.08357 ++ {0.0} {} {} 30.69340 1.06138 1.78153 ++ {0.0} {} {} 120.97260 0.73379 1.45479 ++ {0.0} {} -39.812171936 -0.7047 0 {} 0 0 0 101 {} 7.99892 0.03333 0.06968 ++ {0.0} {} {} 28.43945 0.79895 2.07558 ++ {0.0} {} {} 120.83549 0.45585 0.90995 ++ {0.0} {} -11.2564334869 -0.4415 0 {} 0 0 0 102 {} 8.21406 0.02704 0.08266 ++ {0.0} {} {} 28.25105 0.81126 1.78855 ++ {0.0} {} {} 120.89156 0.53586 1.26497 ++ {0.0} {} -15.252363205 -0.6209 0 {} 0 0 0 103 {} 8.14908 0.03233 0.05562 ++ {0.0} {} {} 28.26313 0.79983 1.59987 ++ {0.0} {} {} 121.02723 0.59465 1.16928 ++ {0.0} {} -7.63187122345 -0.2876 0 {} 0 0 0 104 {} 8.63831 0.03895 0.04862 ++ {0.0} {} {} 64.69005 0.89160 1.15281 ++ {0.0} {} {} 120.72996 0.45595 0.57986 ++ {0.0} {} 2.38939905167 0.1206 0 {} 0 0 0 105 {} 7.99790 0.02820 0.02914 ++ {0.0} {} {} 61.55431 0.58339 0.60950 ++ {0.0} {} {} 120.77575 0.48600 0.50776 ++ {0.0} {} 1.10390865803 0.0919 0 {} 0 0 0 106 {} 8.32156 0.03006 0.09482 ++ {0.0} {} {} 60.73136 1.11414 1.59163 ++ {0.0} {} {} 120.60656 0.66027 1.47007 ++ {0.0} {} 50.0573501587 1.3507 0 {} 0 0 0 107 {} 8.07938 0.03177 0.14278 ++ {0.0} {} {} 59.47156 0.69631 1.94359 ++ {0.0} {} {} 120.63174 0.60091 1.33146 ++ {0.0} {} 52.4496650696 1.4539 0 {} 0 0 0 108 {} 8.32979 0.03043 0.12040 ++ {0.0} {} {} 58.15346 0.97351 1.52349 ++ {0.0} {} {} 120.45387 0.45018 1.13924 ++ {0.0} {} 58.0817260742 1.1062 0 {} 0 0 0 109 {} 8.28479 0.03106 0.08939 ++ {0.0} {} {} 56.57687 0.93909 1.34156 ++ {0.0} {} {} 120.53146 0.58493 1.52946 ++ {0.0} {} 75.3084106445 3.2632 0 {} 0 0 0 110 {} 8.64014 0.03892 0.08185 ++ {0.0} {} {} 54.87289 0.68042 1.43964 ++ {0.0} {} {} 120.71828 0.46599 0.89134 ++ {0.0} {} 10.7151012421 0.3561 0 {} 0 0 0 111 {} 8.32204 0.02742 0.05700 ++ {0.0} {} {} 38.72358 0.85722 1.77275 ++ {0.0} {} {} 120.59798 0.62158 1.27050 ++ {0.0} {} -13.0646533966 -0.7555 0 {} 0 0 0 112 {} 8.28359 0.01602 0.00551 ++ {0.0} {} {} 38.14437 0.73001 0.23444 ++ {0.0} {} {} 120.43301 0.48536 0.15587 ++ {0.0} {} 0.190601587296 0.0523 0 {} 0 0 0 113 {} 8.33078 0.03523 0.06161 ++ {0.0} {} {} 32.78307 1.12090 1.87421 ++ {0.0} {} {} 120.43615 0.44481 0.68224 ++ {0.0} {} -5.77036762238 -0.1884 0 {} 0 0 0 114 {} 8.07932 0.03035 0.05334 ++ {0.0} {} {} 31.98015 0.83694 1.86764 ++ {0.0} {} {} 120.62967 0.60001 1.16013 ++ {0.0} {} -7.47921466827 -0.2855 0 {} 0 0 0 115 {} 8.63714 0.02464 0.01568 ++ {0.0} {} {} 31.88677 0.68244 0.43250 ++ {0.0} {} {} 120.68963 0.56605 0.35873 ++ {0.0} {} -0.774348855019 -0.0643 0 {} 0 0 0 116 {} 8.28538 0.03259 0.07702 ++ {0.0} {} {} 30.22095 1.03014 1.80982 ++ {0.0} {} {} 120.51299 0.56904 1.51595 ++ {0.0} {} -65.7639694214 -2.4163 0 {} 0 0 0 117 {} 8.07938 0.03128 0.07439 ++ {0.0} {} {} 30.02972 0.82470 1.17814 ++ {0.0} {} {} 120.63059 0.59370 1.29184 ++ {0.0} {} -17.1877670288 -0.8734 0 {} 0 0 0 118 {} 8.28410 0.02969 0.03994 ++ {0.0} {} {} 28.93890 0.07948 0.11298 ++ {0.0} {} {} 120.54001 0.58715 0.87008 ++ {0.0} {} 1.90634191036 0.1518 0 {} 0 0 0 119 {} 8.07761 0.02348 0.00179 ++ {0.0} {} {} 28.49586 0.24319 0.01884 ++ {0.0} {} {} 120.56955 0.58973 0.04569 ++ {0.0} {} 0.0911292433739 0.0457 0 {} 0 0 0 120 {} 8.64010 0.04073 0.06317 ++ {0.0} {} {} 18.64842 0.95009 1.54202 ++ {0.0} {} {} 120.70619 0.48824 0.76670 ++ {0.0} {} -4.75236654282 -0.2044 0 {} 0 0 0 121 {} 8.40183 0.03316 0.09693 ++ {0.0} {} {} 59.12119 0.95699 1.68677 ++ {0.0} {} {} 120.17807 0.54809 1.33227 ++ {0.0} {} 77.2547073364 1.6879 0 {} 0 0 0 122 {} 8.14482 0.01981 0.01268 ++ {0.0} {} {} 57.92991 0.73285 0.46631 ++ {0.0} {} {} 120.11266 0.06263 0.03985 ++ {0.0} {} -0.322915315628 -0.0644 0 {} 0 0 0 123 {} 8.29229 0.03396 0.13457 ++ {0.0} {} {} 54.60969 1.01813 1.45447 ++ {0.0} {} {} 120.24580 0.63910 1.35194 ++ {0.0} {} 52.3230400085 2.2100 0 {} 0 0 0 124 {} 8.18406 0.03216 0.08613 ++ {0.0} {} {} 54.58907 0.83061 1.94624 ++ {0.0} {} {} 120.21871 0.61743 1.35125 ++ {0.0} {} 57.8502693176 3.2833 0 {} 0 0 0 125 {} 7.89046 0.03153 0.05449 ++ {0.0} {} {} 53.83434 0.76811 1.77977 ++ {0.0} {} {} 120.08887 0.43663 0.80053 ++ {0.0} {} 11.8240537643 0.4815 0 {} 0 0 0 126 {} 8.29234 0.03356 0.13452 ++ {0.0} {} {} 41.25773 0.78840 1.92971 ++ {0.0} {} {} 120.24116 0.62967 1.33952 ++ {0.0} {} -51.2571144104 -2.0377 0 {} 0 0 0 127 {} 8.18416 0.03188 0.08072 ++ {0.0} {} {} 41.23024 0.99450 1.78998 ++ {0.0} {} {} 120.21917 0.62154 1.35887 ++ {0.0} {} -65.7717437744 -3.2472 0 {} 0 0 0 128 {} 7.88970 0.02966 0.03760 ++ {0.0} {} {} 41.24838 0.79506 1.13111 ++ {0.0} {} {} 120.09167 0.43749 0.61335 ++ {0.0} {} -2.32018661499 -0.1469 0 {} 0 0 0 129 {} 8.18429 0.03081 0.04896 ++ {0.0} {} {} 39.94968 0.09310 0.14813 ++ {0.0} {} {} 120.22332 0.69104 1.12898 ++ {0.0} {} 2.78455448151 0.2148 0 {} 0 0 0 130 {} 7.89018 0.03123 0.04864 ++ {0.0} {} {} 31.43748 0.74773 1.67024 ++ {0.0} {} {} 120.08917 0.44871 0.75841 ++ {0.0} {} -6.37256002426 -0.2835 0 {} 0 0 0 131 {} 8.40172 0.03447 0.09769 ++ {0.0} {} {} 30.12865 1.28459 1.83512 ++ {0.0} {} {} 120.13989 0.61090 1.48622 ++ {0.0} {} -52.8241195679 -0.8117 0 {} 0 0 0 132 {} 8.39663 0.04104 0.05327 ++ {0.0} {} {} 63.19531 0.90875 1.25570 ++ {0.0} {} {} 120.00686 0.47688 0.63426 ++ {0.0} {} 3.16405391693 0.1311 0 {} 0 0 0 133 {} 8.31317 0.02239 0.01308 ++ {0.0} {} {} 60.91610 0.64050 0.29850 ++ {0.0} {} {} 119.73878 0.06112 0.02849 ++ {0.0} {} -0.289828032255 -0.0573 0 {} 0 0 0 134 {} 7.93068 0.02783 0.03390 ++ {0.0} {} {} 60.08012 0.44952 1.21949 ++ {0.0} {} {} 120.00480 0.10035 0.12243 ++ {0.0} {} -1.128657341 -0.1126 0 {} 0 0 0 135 {} 7.77645 0.01962 0.01155 ++ {0.0} {} {} 60.09037 0.95691 0.50498 ++ {0.0} {} {} 120.03985 0.04967 0.02621 ++ {0.0} {} -0.187702015042 -0.0597 0 {} 0 0 0 136 {} 8.06979 0.01948 0.01433 ++ {0.0} {} {} 59.48243 0.75875 0.54371 ++ {0.0} {} {} 119.76376 0.09030 0.06471 ++ {0.0} {} -0.329922258854 -0.0684 0 {} 0 0 0 137 {} 7.90229 0.02645 0.02979 ++ {0.0} {} {} 58.62214 0.86969 1.07334 ++ {0.0} {} {} 120.05380 0.03501 0.04321 ++ {0.0} {} -1.71222710609 -0.1147 0 {} 0 0 0 138 {} 7.78055 0.02811 0.01189 ++ {0.0} {} {} 58.11701 0.98217 0.28759 ++ {0.0} {} {} 120.03942 0.04980 0.01458 ++ {0.0} {} -0.136942923069 -0.0514 0 {} 0 0 0 139 {} 8.21198 0.03294 0.00728 ++ {0.0} {} {} 56.86016 0.64510 0.08526 ++ {0.0} {} {} 119.99641 0.08667 0.01145 ++ {0.0} {} -0.177170693874 -0.0470 0 {} 0 0 0 140 {} 8.39986 0.04613 0.08768 ++ {0.0} {} {} 56.38484 0.67500 1.33071 ++ {0.0} {} {} 120.02647 0.47442 0.87886 ++ {0.0} {} 12.9491043091 0.3062 0 {} 0 0 0 141 {} 7.92498 0.02917 0.02251 ++ {0.0} {} {} 35.43430 0.98207 0.69575 ++ {0.0} {} {} 120.02389 0.07127 0.05049 ++ {0.0} {} 0.454669833183 0.0680 0 {} 0 0 0 142 {} 7.95722 0.02990 0.00099 ++ {0.0} {} {} 32.65583 1.00272 0.01635 ++ {0.0} {} {} 119.91753 0.30048 0.00490 ++ {0.0} {} 0.044273737818 0.0443 0 {} 0 0 0 143 {} 8.20995 0.03209 0.01095 ++ {0.0} {} {} 30.12341 0.91591 0.20495 ++ {0.0} {} {} 119.99438 0.09582 0.02144 ++ {0.0} {} 0.135950177908 0.0494 0 {} 0 0 0 144 {} 7.92331 0.03147 0.00556 ++ {0.0} {} {} 30.11556 0.80621 0.14815 ++ {0.0} {} {} 120.06027 0.02335 0.00429 ++ {0.0} {} 0.0950151234865 0.0484 0 {} 0 0 0 145 {} 8.22418 0.03011 0.02558 ++ {0.0} {} {} 62.34689 0.71751 0.56364 ++ {0.0} {} {} 119.66531 0.05542 0.04353 ++ {0.0} {} -0.526807069778 -0.0723 0 {} 0 0 0 146 {} 8.06907 0.03462 0.04218 ++ {0.0} {} {} 56.03657 0.77423 1.05313 ++ {0.0} {} {} 119.39253 0.47716 0.64905 ++ {0.0} {} 2.92053604126 0.1373 0 {} 0 0 0 147 {} 8.28264 0.02600 0.02024 ++ {0.0} {} {} 54.57269 0.72633 0.50863 ++ {0.0} {} {} 119.37045 0.03041 0.02130 ++ {0.0} {} -0.387112230062 -0.0676 0 {} 0 0 0 148 {} 8.06810 0.03555 0.03621 ++ {0.0} {} {} 45.62167 0.98060 1.00577 ++ {0.0} {} {} 119.41973 0.48974 0.50232 ++ {0.0} {} 1.78941500187 0.0901 0 {} 0 0 0 149 {} 8.38545 0.03226 0.05510 ++ {0.0} {} {} 38.70845 0.84920 1.53208 ++ {0.0} {} {} 119.63473 0.49809 0.86818 ++ {0.0} {} -4.77586841583 -0.2390 0 {} 0 0 0 150 {} 7.76864 0.03035 0.07276 ++ {0.0} {} {} 60.13058 0.51923 2.08229 ++ {0.0} {} {} 119.22458 0.52111 1.24124 ++ {0.0} {} 19.4513301849 0.7354 0 {} 0 0 0 151 {} 8.55468 0.03919 0.08344 ++ {0.0} {} {} 58.95986 0.71891 1.63632 ++ {0.0} {} {} 119.27343 0.46681 0.94805 ++ {0.0} {} 12.1799488068 0.3908 0 {} 0 0 0 152 {} 7.91916 0.07659 0.19240 ++ {0.0} {} {} 59.02514 0.84312 2.64980 ++ {0.0} {} {} 119.22727 0.53480 1.33219 ++ {0.0} {} 154.321334839 2.1532 0 {} 0 0 0 153 {} 7.89431 0.04320 0.20290 ++ {0.0} {} {} 58.75951 0.95193 1.35991 ++ {0.0} {} {} 119.21534 0.55471 1.34875 ++ {0.0} {} 133.601898193 2.1681 0 {} 0 0 0 154 {} 7.77318 0.03969 0.09611 ++ {0.0} {} {} 58.32973 0.46543 2.07019 ++ {0.0} {} {} 119.21346 0.53785 1.24116 ++ {0.0} {} 23.6068286896 0.6985 0 {} 0 0 0 155 {} 8.20878 0.03617 0.08035 ++ {0.0} {} {} 56.88548 0.68476 1.77542 ++ {0.0} {} {} 119.10740 0.54923 1.24166 ++ {0.0} {} 18.8412914276 0.6015 0 {} 0 0 0 156 {} 7.51266 0.02845 0.02600 ++ {0.0} {} {} 55.62733 1.11641 1.00219 ++ {0.0} {} {} 119.24206 0.15884 0.14132 ++ {0.0} {} -0.638523221016 -0.0791 0 {} 0 0 0 157 {} 7.92300 0.03183 0.06148 ++ {0.0} {} {} 41.73893 0.78347 1.57197 ++ {0.0} {} {} 119.15302 0.61592 1.16835 ++ {0.0} {} -6.64308786392 -0.3480 0 {} 0 0 0 158 {} 7.76869 0.03114 0.06711 ++ {0.0} {} {} 39.09587 0.94488 1.90205 ++ {0.0} {} {} 119.22153 0.52601 1.18433 ++ {0.0} {} -9.84178352356 -0.4665 0 {} 0 0 0 159 {} 7.92247 0.03208 0.07471 ++ {0.0} {} {} 35.42729 0.76815 1.09736 ++ {0.0} {} {} 119.15380 0.62938 1.22435 ++ {0.0} {} -16.4506626129 -0.7665 0 {} 0 0 0 160 {} 7.77321 0.03782 0.08996 ++ {0.0} {} {} 32.76385 0.82366 1.85653 ++ {0.0} {} {} 119.20714 0.55287 1.21279 ++ {0.0} {} -13.2161769867 -0.5385 0 {} 0 0 0 161 {} 8.20898 0.03634 0.09637 ++ {0.0} {} {} 30.09957 1.06717 1.94079 ++ {0.0} {} {} 119.08070 0.53507 1.22218 ++ {0.0} {} -19.7588424683 -0.5960 0 {} 0 0 0 162 {} 7.91931 0.03918 0.11770 ++ {0.0} {} {} 30.12957 1.04026 1.50528 ++ {0.0} {} {} 119.23258 0.52372 1.30681 ++ {0.0} {} -31.3910560608 -1.1917 0 {} 0 0 0 163 {} 7.76817 0.02895 0.04186 ++ {0.0} {} {} 30.14365 0.93187 1.40953 ++ {0.0} {} {} 119.20971 0.59092 0.96219 ++ {0.0} {} -2.86867213249 -0.1664 0 {} 0 0 0 164 {} 8.55525 0.03841 0.07465 ++ {0.0} {} {} 28.14222 1.16026 1.82345 ++ {0.0} {} {} 119.27152 0.47219 0.78590 ++ {0.0} {} -7.88935804367 -0.2617 0 {} 0 0 0 165 {} 7.89134 0.02806 0.06958 ++ {0.0} {} {} 27.81877 0.71815 1.75925 ++ {0.0} {} {} 119.22430 0.53913 1.31094 ++ {0.0} {} -20.3871936798 -1.0421 0 {} 0 0 0 166 {} 7.89261 0.02774 0.02828 ++ {0.0} {} {} 26.46243 0.14799 0.15132 ++ {0.0} {} {} 119.20307 0.57616 0.58911 ++ {0.0} {} 1.11882698536 0.0898 0 {} 0 0 0 167 {} 8.22005 0.03542 0.10295 ++ {0.0} {} {} 62.32615 0.70128 1.92568 ++ {0.0} {} {} 118.80019 0.64533 1.32641 ++ {0.0} {} 26.9658718109 1.0666 0 {} 0 0 0 168 {} 8.38031 0.02378 0.01755 ++ {0.0} {} {} 59.71255 1.07533 0.67210 ++ {0.0} {} {} 118.71947 0.13903 0.08689 ++ {0.0} {} -0.358595311642 -0.0639 0 {} 0 0 0 169 {} 8.22038 0.03549 0.11559 ++ {0.0} {} {} 45.19735 0.83259 1.87188 ++ {0.0} {} {} 118.80029 0.64254 1.34741 ++ {0.0} {} 35.5764312744 1.5884 0 {} 0 0 0 170 {} 8.22248 0.03687 0.04212 ++ {0.0} {} {} 43.97213 0.08840 0.10027 ++ {0.0} {} {} 118.80894 0.65081 0.73840 ++ {0.0} {} -0.986593127251 -0.1014 0 {} 0 0 0 171 {} 7.95093 0.03134 0.04817 ++ {0.0} {} {} 39.05384 0.80750 1.43849 ++ {0.0} {} {} 118.94832 0.46752 0.72425 ++ {0.0} {} -3.88533043861 -0.1948 0 {} 0 0 0 172 {} 8.22011 0.03719 0.10019 ++ {0.0} {} {} 32.75337 0.87546 1.90163 ++ {0.0} {} {} 118.80656 0.65195 1.30647 ++ {0.0} {} -21.8736858368 -0.7854 0 {} 0 0 0 173 {} 7.95185 0.03199 0.07152 ++ {0.0} {} {} 32.64849 1.01636 1.56737 ++ {0.0} {} {} 118.96204 0.45177 1.12564 ++ {0.0} {} -17.9405250549 -0.7512 0 {} 0 0 0 174 {} 7.91771 0.03427 0.03677 ++ {0.0} {} {} 58.92492 1.07438 1.53483 ++ {0.0} {} {} 118.31786 0.06271 0.07304 ++ {0.0} {} -1.39118516445 -0.1051 0 {} 0 0 0 175 {} 7.88336 0.01290 0.03106 ++ {0.0} {} {} 58.68069 1.00888 1.12751 ++ {0.0} {} {} 118.33027 0.08772 0.09753 ++ {0.0} {} -0.772333920002 -0.0989 0 {} 0 0 0 176 {} 8.77231 0.02002 0.01943 ++ {0.0} {} {} 58.07759 0.82862 0.79063 ++ {0.0} {} {} 118.60009 0.05429 0.05180 ++ {0.0} {} -0.803167879581 -0.0840 0 {} 0 0 0 177 {} 8.28413 0.02545 0.02839 ++ {0.0} {} {} 57.22952 0.74761 0.85590 ++ {0.0} {} {} 118.58334 0.06047 0.06923 ++ {0.0} {} -0.674309372902 -0.1027 0 {} 0 0 0 178 {} 7.93092 0.02567 0.03446 ++ {0.0} {} {} 55.62673 0.98268 1.32657 ++ {0.0} {} {} 118.51630 0.20298 0.26997 ++ {0.0} {} -1.10068702698 -0.1311 0 {} 0 0 0 179 {} 7.50827 0.03341 0.08783 ++ {0.0} {} {} 55.65276 1.08518 1.72429 ++ {0.0} {} {} 118.28043 0.44355 1.17414 ++ {0.0} {} 38.7387619019 1.4150 0 {} 0 0 0 180 {} 8.28208 0.01925 0.01384 ++ {0.0} {} {} 37.49514 0.72267 0.47451 ++ {0.0} {} {} 118.60658 0.03591 0.02358 ++ {0.0} {} 0.315783828497 0.0654 0 {} 0 0 0 181 {} 7.92775 0.02795 0.02824 ++ {0.0} {} {} 35.88495 0.81685 0.82595 ++ {0.0} {} {} 118.37663 0.09291 0.09394 ++ {0.0} {} 0.693901538849 0.0888 0 {} 0 0 0 182 {} 7.91899 0.04831 0.00737 ++ {0.0} {} {} 30.13686 1.10475 0.18984 ++ {0.0} {} {} 118.31862 0.05606 0.00938 ++ {0.0} {} 0.0937707424164 0.0479 0 {} 0 0 0 183 {} 7.50847 0.03317 0.09080 ++ {0.0} {} {} 28.95569 0.81172 1.15959 ++ {0.0} {} {} 118.28372 0.44563 1.06817 ++ {0.0} {} -23.2473449707 -0.7925 0 {} 0 0 0 184 {} 7.51231 0.03213 0.02249 ++ {0.0} {} {} 27.48937 0.23740 0.15727 ++ {0.0} {} {} 118.27256 0.44807 0.29684 ++ {0.0} {} 0.442365288734 0.0657 0 {} 0 0 0 185 {} 8.02024 0.03245 0.05130 ++ {0.0} {} {} 61.01851 0.76589 1.43461 ++ {0.0} {} {} 118.20415 0.49120 0.79118 ++ {0.0} {} 5.00011539459 0.2256 0 {} 0 0 0 186 {} 8.23441 0.03189 0.07925 ++ {0.0} {} {} 59.14125 0.96595 1.86409 ++ {0.0} {} {} 118.13300 0.55590 1.27259 ++ {0.0} {} 22.2388343811 0.6669 0 {} 0 0 0 187 {} 8.02174 0.03144 0.07231 ++ {0.0} {} {} 59.16961 0.94842 1.89202 ++ {0.0} {} {} 118.20532 0.47010 1.17391 ++ {0.0} {} 20.2472438812 0.8163 0 {} 0 0 0 188 {} 8.23386 0.02995 0.04979 ++ {0.0} {} {} 54.87542 0.68789 1.21307 ++ {0.0} {} {} 118.11821 0.58971 1.08433 ++ {0.0} {} 5.35235357285 0.2459 0 {} 0 0 0 189 {} 8.01989 0.03143 0.04171 ++ {0.0} {} {} 32.75320 0.83299 1.24637 ++ {0.0} {} {} 118.20641 0.45259 0.63849 ++ {0.0} {} -2.86460185051 -0.1490 0 {} 0 0 0 190 {} 8.23371 0.03154 0.06425 ++ {0.0} {} {} 29.29572 0.75089 1.61870 ++ {0.0} {} {} 118.13017 0.57753 1.21499 ++ {0.0} {} -13.2842502594 -0.3760 0 {} 0 0 0 191 {} 8.02097 0.03187 0.06757 ++ {0.0} {} {} 28.28330 0.78100 1.74774 ++ {0.0} {} {} 118.20410 0.47588 1.06365 ++ {0.0} {} -11.7444219589 -0.4647 0 {} 0 0 0 192 {} 8.23649 0.03607 0.04802 ++ {0.0} {} {} 18.62823 0.91467 1.29328 ++ {0.0} {} {} 118.12032 0.57290 0.78900 ++ {0.0} {} -2.64884829521 -0.1410 0 {} 0 0 0 193 {} 8.76408 0.03410 0.05657 ++ {0.0} {} {} 60.87715 0.67853 1.27228 ++ {0.0} {} {} 117.76947 0.56271 1.10358 ++ {0.0} {} 5.86453962326 0.2685 0 {} 0 0 0 194 {} 8.27513 0.03278 0.08529 ++ {0.0} {} {} 59.75933 0.86425 1.84991 ++ {0.0} {} {} 117.78141 0.56237 1.18602 ++ {0.0} {} 17.7090244293 0.3543 0 {} 0 0 0 195 {} 7.92733 0.03151 0.06497 ++ {0.0} {} {} 58.65313 1.00108 1.79800 ++ {0.0} {} {} 117.58862 0.44338 0.78081 ++ {0.0} {} 7.67220544815 0.3675 0 {} 0 0 0 196 {} 8.76460 0.03306 0.12689 ++ {0.0} {} {} 58.05289 0.78365 1.83262 ++ {0.0} {} {} 117.77831 0.53894 1.29072 ++ {0.0} {} 22.9789333344 1.0463 0 {} 0 0 0 197 {} 7.68027 0.02089 0.02421 ++ {0.0} {} {} 58.08730 0.83411 0.99433 ++ {0.0} {} {} 117.85951 0.06337 0.07554 ++ {0.0} {} -0.685519516468 -0.1087 0 {} 0 0 0 198 {} 8.27608 0.03160 0.08234 ++ {0.0} {} {} 57.27737 0.74546 1.87863 ++ {0.0} {} {} 117.76028 0.57808 1.32073 ++ {0.0} {} 27.7485275269 1.4338 0 {} 0 0 0 199 {} 7.92536 0.02884 0.08820 ++ {0.0} {} {} 55.63001 0.95749 1.93479 ++ {0.0} {} {} 117.59047 0.45815 1.20398 ++ {0.0} {} 31.4521770477 1.5099 0 {} 0 0 0 200 {} 8.27623 0.03126 0.07656 ++ {0.0} {} {} 37.49763 0.79165 1.13093 ++ {0.0} {} {} 117.76558 0.56267 1.29941 ++ {0.0} {} -22.054441452 -1.1387 0 {} 0 0 0 201 {} 8.76411 0.03280 0.05971 ++ {0.0} {} {} 37.11401 1.04361 1.78619 ++ {0.0} {} {} 117.76588 0.55844 1.08243 ++ {0.0} {} -5.22413063049 -0.2723 0 {} 0 0 0 202 {} 7.92578 0.02780 0.07477 ++ {0.0} {} {} 36.01801 0.81835 1.16907 ++ {0.0} {} {} 117.58883 0.45713 1.17308 ++ {0.0} {} -26.8298931122 -1.2089 0 {} 0 0 0 203 {} 8.76463 0.03289 0.07575 ++ {0.0} {} {} 32.02792 0.84680 1.97796 ++ {0.0} {} {} 117.77574 0.54877 1.24019 ++ {0.0} {} -12.840215683 -0.5652 0 {} 0 0 0 204 {} 8.27467 0.03436 0.06199 ++ {0.0} {} {} 29.67289 0.97755 1.53860 ++ {0.0} {} {} 117.80199 0.56330 0.97028 ++ {0.0} {} -6.90331888199 -0.1985 0 {} 0 0 0 205 {} 7.68209 0.02890 0.02422 ++ {0.0} {} {} 29.55106 0.89170 0.70912 ++ {0.0} {} {} 117.85894 0.08298 0.06599 ++ {0.0} {} 0.529860317707 0.0729 0 {} 0 0 0 206 {} 7.92692 0.02862 0.05085 ++ {0.0} {} {} 27.81218 0.67558 1.06441 ++ {0.0} {} {} 117.56468 0.44002 0.69327 ++ {0.0} {} -4.25643539429 -0.2069 0 {} 0 0 0 207 {} 8.01721 0.03937 0.00580 ++ {0.0} {} {} 59.23566 0.79407 0.10757 ++ {0.0} {} {} 117.24937 0.10612 0.01438 ++ {0.0} {} -0.0924410969019 -0.0471 0 {} 0 0 0 208 {} 8.75571 0.02975 0.01341 ++ {0.0} {} {} 58.03562 0.78154 0.32017 ++ {0.0} {} {} 116.88927 0.08612 0.03528 ++ {0.0} {} -0.256174176931 -0.0552 0 {} 0 0 0 209 {} 7.67574 0.03437 0.11841 ++ {0.0} {} {} 58.08534 0.98710 1.79282 ++ {0.0} {} {} 117.00027 0.62091 1.31396 ++ {0.0} {} 28.4603462219 1.3653 0 {} 0 0 0 210 {} 8.26838 0.02230 0.01771 ++ {0.0} {} {} 57.30309 0.74525 0.56372 ++ {0.0} {} {} 116.88326 0.09107 0.06888 ++ {0.0} {} -0.415706425905 -0.0706 0 {} 0 0 0 211 {} 7.67578 0.03398 0.07105 ++ {0.0} {} {} 55.62069 0.95287 1.81369 ++ {0.0} {} {} 117.00156 0.60686 1.15332 ++ {0.0} {} 7.66984796524 0.3870 0 {} 0 0 0 212 {} 8.27189 0.03372 0.01854 ++ {0.0} {} {} 37.51291 0.83017 0.34109 ++ {0.0} {} {} 116.87022 0.06087 0.02501 ++ {0.0} {} 0.281321644783 0.0553 0 {} 0 0 0 213 {} 7.67566 0.03346 0.06245 ++ {0.0} {} {} 35.99772 0.80597 1.81128 ++ {0.0} {} {} 117.00011 0.62556 1.13491 ++ {0.0} {} -6.32188415527 -0.3094 0 {} 0 0 0 214 {} 7.67564 0.03413 0.09150 ++ {0.0} {} {} 29.55029 0.86580 1.23686 ++ {0.0} {} {} 116.99970 0.62542 1.28306 ++ {0.0} {} -17.8059940338 -0.8500 0 {} 0 0 0 215 {} 8.03335 0.02168 0.02166 ++ {0.0} {} {} 55.98139 0.72235 0.72148 ++ {0.0} {} {} 116.58063 0.56199 0.56132 ++ {0.0} {} -1.01402401924 -0.0877 0 {} 0 0 0 216 {} 8.03196 0.02016 0.00186 ++ {0.0} {} {} 42.37495 0.71554 0.05398 ++ {0.0} {} {} 116.53033 0.47341 0.03571 ++ {0.0} {} 0.0456337481737 0.0456 0 {} 0 0 0 217 {} 8.51319 0.04476 0.02935 ++ {0.0} {} {} 63.85434 0.51878 0.32635 ++ {0.0} {} {} 116.11285 0.43482 0.27353 ++ {0.0} {} -1.07310497761 -0.0641 0 {} 0 0 0 218 {} 7.66561 0.02451 0.02044 ++ {0.0} {} {} 58.03320 0.73501 0.56014 ++ {0.0} {} {} 116.15321 0.07208 0.05493 ++ {0.0} {} -0.375002503395 -0.0709 0 {} 0 0 0 219 {} 8.52181 0.04170 0.06361 ++ {0.0} {} {} 58.54485 0.76292 1.00555 ++ {0.0} {} {} 116.05739 0.47165 0.62165 ++ {0.0} {} 3.31228470802 0.1288 0 {} 0 0 0 220 {} 7.42611 0.02487 0.02165 ++ {0.0} {} {} 56.34277 0.74941 0.61122 ++ {0.0} {} {} 115.72014 0.04895 0.03992 ++ {0.0} {} -0.455699831247 -0.0742 0 {} 0 0 0 221 {} 7.42437 0.03058 0.01141 ++ {0.0} {} {} 30.55318 1.01632 0.13304 ++ {0.0} {} {} 115.72792 0.03945 0.00516 ++ {0.0} {} 0.134223103523 0.0470 0 {} 0 0 0 222 {} 8.12014 0.02246 0.02012 ++ {0.0} {} {} 61.80594 0.77176 0.16260 ++ {0.0} {} {} 115.14410 0.55424 0.11677 ++ {0.0} {} 0.177280515432 0.0491 0 {} 0 0 0 223 {} 8.03132 0.01960 0.00151 ++ {0.0} {} {} 55.94804 0.70322 0.04462 ++ {0.0} {} {} 115.08610 0.43042 0.02731 ++ {0.0} {} 0.0453511551023 0.0454 0 {} 0 0 0 224 {} 7.92376 0.03403 0.00668 ++ {0.0} {} {} 52.26361 0.80822 0.08732 ++ {0.0} {} {} 115.14647 0.53876 0.05821 ++ {0.0} {} 0.046420186758 0.0464 0 {} 0 0 0 225 {} 7.41693 0.03338 0.06303 ++ {0.0} {} {} 58.10340 0.87835 1.81749 ++ {0.0} {} {} 114.88954 0.55729 1.16188 ++ {0.0} {} 7.94462919235 0.3570 0 {} 0 0 0 226 {} 7.41751 0.03478 0.09736 ++ {0.0} {} {} 56.34935 0.69145 1.89678 ++ {0.0} {} {} 114.89382 0.54450 1.29111 ++ {0.0} {} 24.0404701233 1.0643 0 {} 0 0 0 227 {} 7.41749 0.03409 0.08821 ++ {0.0} {} {} 30.50742 0.86746 1.23923 ++ {0.0} {} {} 114.89348 0.54808 1.27298 ++ {0.0} {} -20.4050655365 -0.8306 0 {} 0 0 0 228 {} 8.36944 0.02826 0.00387 ++ {0.0} {} {} 25.00096 0.65757 0.08969 ++ {0.0} {} {} 114.78176 0.61367 0.08370 ++ {0.0} {} 0.0897025465965 0.0471 0 {} 0 0 0 229 {} 8.05125 0.02931 0.03975 ++ {0.0} {} {} 62.70614 0.42499 0.57027 ++ {0.0} {} {} 114.13832 0.64067 0.87495 ++ {0.0} {} -1.31522643566 -0.1334 0 {} 0 0 0 230 {} 8.05046 0.03537 0.06959 ++ {0.0} {} {} 61.56368 0.60618 1.08658 ++ {0.0} {} {} 114.11132 0.61029 1.17962 ++ {0.0} {} 6.97189474106 0.4233 0 {} 0 0 0 231 {} 8.05155 0.03089 0.05509 ++ {0.0} {} {} 58.17369 0.94521 1.69725 ++ {0.0} {} {} 114.12590 0.64279 1.15524 ++ {0.0} {} 5.15771484375 0.3050 0 {} 0 0 0 232 {} 7.41093 0.03280 0.01698 ++ {0.0} {} {} 56.36891 0.67942 0.25617 ++ {0.0} {} {} 114.00799 0.07331 0.02764 ++ {0.0} {} -0.290042251348 -0.0541 0 {} 0 0 0 233 {} 8.04951 0.02620 0.02655 ++ {0.0} {} {} 46.33976 0.57675 0.58504 ++ {0.0} {} {} 114.13103 0.71621 0.72612 ++ {0.0} {} 1.24799489975 0.0891 0 {} 0 0 0 234 {} 8.05151 0.03158 0.05118 ++ {0.0} {} {} 41.18658 1.00840 1.69192 ++ {0.0} {} {} 114.12639 0.66774 1.12591 ++ {0.0} {} -4.66720199585 -0.2263 0 {} 0 0 0 235 {} 7.65118 0.02200 0.01966 ++ {0.0} {} {} 34.62764 0.93962 0.81420 ++ {0.0} {} {} 111.93839 0.63694 0.55192 ++ {0.0} {} 0.831474125385 0.0775 0 {} 0 0 0 236 {} 7.65155 0.01904 0.00095 ++ {0.0} {} {} 27.98626 0.91541 0.04198 ++ {0.0} {} {} 111.93141 0.58620 0.02688 ++ {0.0} {} -0.0449429154396 -0.0449 0 {} 0 0 0 237 {} 6.90164 0.05200 0.04693 ++ {0.0} {} {} 34.29943 1.50201 1.28664 ++ {0.0} {} {} 111.60728 0.79086 0.61187 ++ {0.0} {} 2.71424818039 0.0723 0 {} 0 0 0 238 {} 7.50580 0.04263 0.04144 ++ {0.0} {} {} 33.83605 0.66573 0.64409 ++ {0.0} {} {} 111.63992 0.65895 0.63753 ++ {0.0} {} 1.805778265 0.0851 0 {} 0 0 0 239 {} 6.85394 0.00793 0.00638 ++ {0.0} {} {} 33.78445 0.73023 0.25071 ++ {0.0} {} {} 111.72032 0.48605 0.16688 ++ {0.0} {} 0.301823079586 0.0530 0 {} 0 0 0 240 {} 6.90372 0.03477 0.00839 ++ {0.0} {} {} 28.00980 0.86924 0.25863 ++ {0.0} {} {} 111.60638 0.69868 0.20789 ++ {0.0} {} -0.187311559916 -0.0516 0 {} 0 0 0 241 {} 8.41198 0.03574 0.02825 ++ {0.0} {} {} 45.06367 0.80163 0.62376 ++ {0.0} {} {} 111.34379 0.09773 0.07605 ++ {0.0} {} -0.622056603432 -0.0719 0 {} 0 0 0 242 {} 8.41418 0.04330 0.06436 ++ {0.0} {} {} 56.97467 0.68033 1.01460 ++ {0.0} {} {} 110.44722 0.49732 0.74167 ++ {0.0} {} 4.32840871811 0.1727 0 {} 0 0 0 243 {} 8.41240 0.04306 0.13012 ++ {0.0} {} {} 45.08837 0.84862 1.90053 ++ {0.0} {} {} 110.44396 0.50695 1.26515 ++ {0.0} {} 26.2021579742 0.9824 0 {} 0 0 0 244 {} 8.41212 0.03408 0.04750 ++ {0.0} {} {} 30.61626 1.02963 1.45870 ++ {0.0} {} {} 110.44614 0.53124 0.71800 ++ {0.0} {} -2.98976659775 -0.1354 0 {} 0 0 0 245 {} 7.16761 0.02114 0.01236 ++ {0.0} {} {} 34.15116 0.89850 0.48862 ++ {0.0} {} {} 109.88026 0.53897 0.29310 ++ {0.0} {} 0.264895915985 0.0603 0 {} 0 0 0 246 {} 8.31173 0.03033 0.01752 ++ {0.0} {} {} 45.30416 0.68575 0.29157 ++ {0.0} {} {} 108.71049 0.80477 0.35053 ++ {0.0} {} 0.43832436204 0.0558 0 {} 0 0 0 247 {} 8.03527 0.04850 0.10877 ++ {0.0} {} {} 45.63920 0.88879 1.66098 ++ {0.0} {} {} 108.12612 0.46486 0.91968 ++ {0.0} {} 11.815905571 0.3790 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aromatic . 'not observed' 1503.349 Hz . . . 4.788 . . 31014 9 2 . . C 13 C-aromatic . 'not observed' 4523.036 Hz . . . 125.083 . . 31014 9 stop_ save_