data_30263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30263 _Entry.Title ; Suboptimization of a glycine rich peptide allows the combinatorial space exploration for designing novel antimicrobial peptides ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-02 _Entry.Accession_date 2017-03-02 _Entry.Last_release_date 2017-06-20 _Entry.Original_release_date 2017-06-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 E. Alves E. S.F. . . 30263 2 C. Matos C. O. . . 30263 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 30263 antibacterial . 30263 helix . 30263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30263 spectral_peak_list 1 30263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 20 30263 '1H chemical shifts' 108 30263 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 . . 2018-03-01 . original BMRB . 30263 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5V1E 'BMRB Entry Tracking System' 30263 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30263 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Suboptimization of a glycine rich peptide allows the combinatorial space exploration for designing novel antimicrobial peptides ; _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 E. Alves E. S.F . . 30263 1 2 C. Matos C. O. . . 30263 1 3 W. Porto W. F. . . 30263 1 4 L. Irazazabal L. . . . 30263 1 5 S. Ribeiro S. M. . . 30263 1 6 A. Pires A. S. . . 30263 1 7 I. Fensterseifer I. C.M. . . 30263 1 8 Evan Haney E. F. . . 30263 1 9 C. 'de la Fuente-Nunez' C. . . . 30263 1 10 V. Humblot V. . . . 30263 1 11 R. Hancock R. E.W. . . 30263 1 12 L. Liao L. M. . . 30263 1 13 A. Ladram A. . . . 30263 1 14 O. Franco O. L. . . 30263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30263 _Assembly.ID 1 _Assembly.Name 'Guavanin 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30263 _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 ; RQYMRQIEQALRYGYRISRR X ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2648.084 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Design of the guavanins, unnatural AMPs derived from the guava peptide Pg-AMP1, by means of genetic algorithm. ; _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 . ARG . 30263 1 2 . GLN . 30263 1 3 . TYR . 30263 1 4 . MET . 30263 1 5 . ARG . 30263 1 6 . GLN . 30263 1 7 . ILE . 30263 1 8 . GLU . 30263 1 9 . GLN . 30263 1 10 . ALA . 30263 1 11 . LEU . 30263 1 12 . ARG . 30263 1 13 . TYR . 30263 1 14 . GLY . 30263 1 15 . TYR . 30263 1 16 . ARG . 30263 1 17 . ILE . 30263 1 18 . SER . 30263 1 19 . ARG . 30263 1 20 . ARG . 30263 1 21 . NH2 . 30263 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 . ARG 1 1 30263 1 . GLN 2 2 30263 1 . TYR 3 3 30263 1 . MET 4 4 30263 1 . ARG 5 5 30263 1 . GLN 6 6 30263 1 . ILE 7 7 30263 1 . GLU 8 8 30263 1 . GLN 9 9 30263 1 . ALA 10 10 30263 1 . LEU 11 11 30263 1 . ARG 12 12 30263 1 . TYR 13 13 30263 1 . GLY 14 14 30263 1 . TYR 15 15 30263 1 . ARG 16 16 30263 1 . ILE 17 17 30263 1 . SER 18 18 30263 1 . ARG 19 19 30263 1 . ARG 20 20 30263 1 . NH2 21 21 30263 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 30263 _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 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30263 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 30263 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . 'Peptide derived from the guava peptide Pg-AMP1, by means of genetic algorithm' 30263 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 30263 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 30263 NH2 N SMILES ACDLabs 10.04 30263 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 30263 NH2 [NH2] SMILES CACTVS 3.341 30263 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 30263 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 30263 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30263 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 30263 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30263 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 30263 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 30263 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 30263 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 30263 NH2 2 . SING N HN2 no N 2 . 30263 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30263 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 mM dodecylphosphocholine, 5 % D2O, 1 mM peptide, 5 % sodium 2,2-dimethyl-2-silapentane-5-sulfonate, 90 % H2O, 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 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30263 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30263 1 3 dodecylphosphocholine 'natural abundance' . . . . . . 100 . . mM . . . . 30263 1 4 peptide 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 30263 1 5 'sodium 2,2-dimethyl-2-silapentane-5-sulfonate' 'natural abundance' . . . . . . 5 . . % . . . . 30263 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 30263 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 30263 1 pH 4 . pH 30263 1 pressure 1 . atm 30263 1 temperature 289 . K 30263 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30263 _Software.ID 1 _Software.Type . _Software.Name Molmol _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 30263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30263 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30263 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30263 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30263 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30263 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30263 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30263 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30263 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30263 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30263 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30263 _Software.ID 5 _Software.Type . _Software.Name QUEEN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' . . 30263 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30263 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30263 _Software.ID 6 _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' . . 30263 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30263 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30263 _Software.ID 7 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.28 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30263 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30263 7 'structure calculation' 30263 7 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 30263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 30263 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 500 . . . 30263 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 30263 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30263 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30263 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30263 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 30263 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30263 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30263 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 30263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 30263 1 2 '2D 1H-1H NOESY' . . . 30263 1 3 '2D 1H-13C HSQC' . . . 30263 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG H H 1 8.6440 0.0000 . 1 . . . . A 1 ARG H1 . 30263 1 2 . 1 1 1 1 ARG HA H 1 4.3910 0.0000 . 1 . . . . A 1 ARG HA . 30263 1 3 . 1 1 1 1 ARG HB2 H 1 2.0400 0.0000 . 1 . . . . A 1 ARG HB2 . 30263 1 4 . 1 1 1 1 ARG HG2 H 1 1.8690 0.0000 . 1 . . . . A 1 ARG HG2 . 30263 1 5 . 1 1 1 1 ARG HD2 H 1 3.2200 0.0000 . 1 . . . . A 1 ARG HD2 . 30263 1 6 . 1 1 1 1 ARG CA C 13 59.1300 0.0000 . 1 . . . . A 1 ARG CA . 30263 1 7 . 1 1 2 2 GLN H H 1 8.0690 0.0000 . 1 . . . . A 2 GLN H . 30263 1 8 . 1 1 2 2 GLN HA H 1 4.0280 0.0000 . 1 . . . . A 2 GLN HA . 30263 1 9 . 1 1 2 2 GLN HB2 H 1 2.2800 0.0000 . 2 . . . . A 2 GLN HB2 . 30263 1 10 . 1 1 2 2 GLN HG2 H 1 2.5200 0.0000 . 2 . . . . A 2 GLN HG2 . 30263 1 11 . 1 1 2 2 GLN HE21 H 1 6.7830 0.0000 . 2 . . . . A 2 GLN HE21 . 30263 1 12 . 1 1 2 2 GLN HE22 H 1 7.3240 0.0000 . 2 . . . . A 2 GLN HE22 . 30263 1 13 . 1 1 2 2 GLN CA C 13 58.0150 0.0000 . 1 . . . . A 2 GLN CA . 30263 1 14 . 1 1 3 3 TYR H H 1 8.0690 0.0000 . 1 . . . . A 3 TYR H . 30263 1 15 . 1 1 3 3 TYR HA H 1 4.6510 0.0000 . 1 . . . . A 3 TYR HA . 30263 1 16 . 1 1 3 3 TYR HB2 H 1 3.1380 0.0000 . 2 . . . . A 3 TYR HB2 . 30263 1 17 . 1 1 3 3 TYR HD1 H 1 7.1690 0.0000 . 3 . . . . A 3 TYR HD1 . 30263 1 18 . 1 1 3 3 TYR HE1 H 1 6.8400 0.0000 . 3 . . . . A 3 TYR HE1 . 30263 1 19 . 1 1 3 3 TYR CA C 13 60.6060 0.0000 . 1 . . . . A 3 TYR CA . 30263 1 20 . 1 1 4 4 MET H H 1 8.0260 0.0000 . 1 . . . . A 4 MET H . 30263 1 21 . 1 1 4 4 MET HA H 1 4.2960 0.0000 . 1 . . . . A 4 MET HA . 30263 1 22 . 1 1 4 4 MET HB2 H 1 2.2150 0.0000 . 1 . . . . A 4 MET HB2 . 30263 1 23 . 1 1 4 4 MET HG2 H 1 2.6700 0.0000 . 1 . . . . A 4 MET HG2 . 30263 1 24 . 1 1 4 4 MET HE1 H 1 1.6300 0.0000 . 1 . . . . A 4 MET HE1 . 30263 1 25 . 1 1 4 4 MET HE2 H 1 1.6300 0.0000 . 1 . . . . A 4 MET HE2 . 30263 1 26 . 1 1 4 4 MET HE3 H 1 1.6300 0.0000 . 1 . . . . A 4 MET HE3 . 30263 1 27 . 1 1 4 4 MET CA C 13 55.9150 0.0000 . 1 . . . . A 4 MET CA . 30263 1 28 . 1 1 5 5 ARG H H 1 7.8050 0.0000 . 1 . . . . A 5 ARG H . 30263 1 29 . 1 1 5 5 ARG HA H 1 4.1940 0.0000 . 1 . . . . A 5 ARG HA . 30263 1 30 . 1 1 5 5 ARG HB2 H 1 1.8340 0.0000 . 1 . . . . A 5 ARG HB2 . 30263 1 31 . 1 1 5 5 ARG HG2 H 1 1.6760 0.0000 . 1 . . . . A 5 ARG HG2 . 30263 1 32 . 1 1 5 5 ARG HD2 H 1 3.2030 0.0000 . 1 . . . . A 5 ARG HD2 . 30263 1 33 . 1 1 5 5 ARG CA C 13 59.3620 0.0000 . 1 . . . . A 5 ARG CA . 30263 1 34 . 1 1 6 6 GLN H H 1 8.1990 0.0000 . 1 . . . . A 6 GLN H . 30263 1 35 . 1 1 6 6 GLN HA H 1 4.1060 0.0000 . 1 . . . . A 6 GLN HA . 30263 1 36 . 1 1 6 6 GLN HB2 H 1 1.5840 0.0000 . 1 . . . . A 6 GLN HB2 . 30263 1 37 . 1 1 6 6 GLN HG2 H 1 1.8870 0.0000 . 1 . . . . A 6 GLN HG2 . 30263 1 38 . 1 1 6 6 GLN HE21 H 1 7.0760 0.0000 . 2 . . . . A 6 GLN HE21 . 30263 1 39 . 1 1 6 6 GLN CA C 13 58.7100 0.0000 . 1 . . . . A 6 GLN CA . 30263 1 40 . 1 1 7 7 ILE H H 1 8.2660 0.0000 . 1 . . . . A 7 ILE H . 30263 1 41 . 1 1 7 7 ILE HA H 1 3.7070 0.0000 . 1 . . . . A 7 ILE HA . 30263 1 42 . 1 1 7 7 ILE HB H 1 2.0700 0.0000 . 1 . . . . A 7 ILE HB . 30263 1 43 . 1 1 7 7 ILE HG12 H 1 1.4650 0.0000 . 1 . . . . A 7 ILE HG12 . 30263 1 44 . 1 1 7 7 ILE HG21 H 1 0.9250 0.0000 . 1 . . . . A 7 ILE HG21 . 30263 1 45 . 1 1 7 7 ILE HG22 H 1 0.9250 0.0000 . 1 . . . . A 7 ILE HG22 . 30263 1 46 . 1 1 7 7 ILE HG23 H 1 0.9250 0.0000 . 1 . . . . A 7 ILE HG23 . 30263 1 47 . 1 1 7 7 ILE CA C 13 65.2660 0.0000 . 1 . . . . A 7 ILE CA . 30263 1 48 . 1 1 8 8 GLU H H 1 8.4090 0.0000 . 1 . . . . A 8 GLU H . 30263 1 49 . 1 1 8 8 GLU HA H 1 3.8440 0.0000 . 1 . . . . A 8 GLU HA . 30263 1 50 . 1 1 8 8 GLU HB2 H 1 2.3450 0.0000 . 1 . . . . A 8 GLU HB2 . 30263 1 51 . 1 1 8 8 GLU HG2 H 1 2.6900 0.0000 . 1 . . . . A 8 GLU HG2 . 30263 1 52 . 1 1 8 8 GLU CA C 13 59.7500 0.0000 . 1 . . . . A 8 GLU CA . 30263 1 53 . 1 1 9 9 GLN H H 1 8.0690 0.0000 . 1 . . . . A 9 GLN H . 30263 1 54 . 1 1 9 9 GLN HA H 1 4.2040 0.0000 . 1 . . . . A 9 GLN HA . 30263 1 55 . 1 1 9 9 GLN HB2 H 1 2.3400 0.0000 . 2 . . . . A 9 GLN HB2 . 30263 1 56 . 1 1 9 9 GLN HG2 H 1 2.5200 0.0000 . 2 . . . . A 9 GLN HG2 . 30263 1 57 . 1 1 9 9 GLN HE21 H 1 6.7050 0.0000 . 1 . . . . A 9 GLN HE21 . 30263 1 58 . 1 1 9 9 GLN HE22 H 1 7.3250 0.0000 . 1 . . . . A 9 GLN HE22 . 30263 1 59 . 1 1 9 9 GLN CA C 13 56.4150 0.0000 . 1 . . . . A 9 GLN CA . 30263 1 60 . 1 1 10 10 ALA H H 1 8.1510 0.0000 . 1 . . . . A 10 ALA H . 30263 1 61 . 1 1 10 10 ALA HA H 1 4.2140 0.0000 . 1 . . . . A 10 ALA HA . 30263 1 62 . 1 1 10 10 ALA HB1 H 1 1.5820 0.0000 . 1 . . . . A 10 ALA HB1 . 30263 1 63 . 1 1 10 10 ALA HB2 H 1 1.5820 0.0000 . 1 . . . . A 10 ALA HB2 . 30263 1 64 . 1 1 10 10 ALA HB3 H 1 1.5820 0.0000 . 1 . . . . A 10 ALA HB3 . 30263 1 65 . 1 1 10 10 ALA CA C 13 56.3490 0.0000 . 1 . . . . A 10 ALA CA . 30263 1 66 . 1 1 11 11 LEU H H 1 8.2700 0.0000 . 1 . . . . A 11 LEU H . 30263 1 67 . 1 1 11 11 LEU HA H 1 4.1540 0.0000 . 1 . . . . A 11 LEU HA . 30263 1 68 . 1 1 11 11 LEU HB2 H 1 1.9780 0.0000 . 1 . . . . A 11 LEU HB2 . 30263 1 69 . 1 1 11 11 LEU HD11 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD11 . 30263 1 70 . 1 1 11 11 LEU HD12 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD12 . 30263 1 71 . 1 1 11 11 LEU HD13 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD13 . 30263 1 72 . 1 1 11 11 LEU HD21 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD21 . 30263 1 73 . 1 1 11 11 LEU HD22 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD22 . 30263 1 74 . 1 1 11 11 LEU HD23 H 1 0.8800 0.0000 . 2 . . . . A 11 LEU HD23 . 30263 1 75 . 1 1 11 11 LEU CA C 13 57.6920 0.0000 . 1 . . . . A 11 LEU CA . 30263 1 76 . 1 1 12 12 ARG H H 1 8.1180 0.0000 . 1 . . . . A 12 ARG H . 30263 1 77 . 1 1 12 12 ARG HA H 1 4.0290 0.0000 . 1 . . . . A 12 ARG HA . 30263 1 78 . 1 1 12 12 ARG HB2 H 1 1.8590 0.0000 . 1 . . . . A 12 ARG HB2 . 30263 1 79 . 1 1 12 12 ARG HG2 H 1 1.5720 0.0000 . 1 . . . . A 12 ARG HG2 . 30263 1 80 . 1 1 12 12 ARG HD2 H 1 3.2390 0.0000 . 1 . . . . A 12 ARG HD2 . 30263 1 81 . 1 1 12 12 ARG CA C 13 58.5200 0.0000 . 1 . . . . A 12 ARG CA . 30263 1 82 . 1 1 13 13 TYR H H 1 8.0930 0.0000 . 1 . . . . A 13 TYR H . 30263 1 83 . 1 1 13 13 TYR HA H 1 4.3640 0.0000 . 1 . . . . A 13 TYR HA . 30263 1 84 . 1 1 13 13 TYR HB2 H 1 3.2380 0.0000 . 1 . . . . A 13 TYR HB2 . 30263 1 85 . 1 1 13 13 TYR HD2 H 1 7.1220 0.0000 . 1 . . . . A 13 TYR HD2 . 30263 1 86 . 1 1 13 13 TYR HE1 H 1 6.8100 0.0000 . 1 . . . . A 13 TYR HE1 . 30263 1 87 . 1 1 13 13 TYR CA C 13 59.1490 0.0000 . 1 . . . . A 13 TYR CA . 30263 1 88 . 1 1 14 14 GLY H H 1 8.5510 0.0000 . 1 . . . . A 14 GLY H . 30263 1 89 . 1 1 14 14 GLY HA2 H 1 3.7880 0.0000 . 1 . . . . A 14 GLY HA2 . 30263 1 90 . 1 1 14 14 GLY CA C 13 46.7300 0.0000 . 1 . . . . A 14 GLY CA . 30263 1 91 . 1 1 15 15 TYR H H 1 8.4210 0.0000 . 1 . . . . A 15 TYR H . 30263 1 92 . 1 1 15 15 TYR HA H 1 4.2130 0.0000 . 1 . . . . A 15 TYR HA . 30263 1 93 . 1 1 15 15 TYR HB2 H 1 3.0670 0.0000 . 1 . . . . A 15 TYR HB2 . 30263 1 94 . 1 1 15 15 TYR HD1 H 1 7.0260 0.0000 . 1 . . . . A 15 TYR HD1 . 30263 1 95 . 1 1 15 15 TYR HE1 H 1 6.7840 0.0000 . 1 . . . . A 15 TYR HE1 . 30263 1 96 . 1 1 15 15 TYR CA C 13 59.3650 0.0000 . 1 . . . . A 15 TYR CA . 30263 1 97 . 1 1 16 16 ARG H H 1 7.6600 0.0000 . 1 . . . . A 16 ARG H . 30263 1 98 . 1 1 16 16 ARG HA H 1 4.2780 0.0000 . 1 . . . . A 16 ARG HA . 30263 1 99 . 1 1 16 16 ARG HB2 H 1 2.1900 0.0000 . 1 . . . . A 16 ARG HB2 . 30263 1 100 . 1 1 16 16 ARG HG2 H 1 1.6900 0.0000 . 1 . . . . A 16 ARG HG2 . 30263 1 101 . 1 1 16 16 ARG HD2 H 1 3.0480 0.0000 . 1 . . . . A 16 ARG HD2 . 30263 1 102 . 1 1 16 16 ARG CA C 13 55.9150 0.0000 . 1 . . . . A 16 ARG CA . 30263 1 103 . 1 1 17 17 ILE H H 1 7.9840 0.0000 . 1 . . . . A 17 ILE H . 30263 1 104 . 1 1 17 17 ILE HA H 1 4.0540 0.0000 . 1 . . . . A 17 ILE HA . 30263 1 105 . 1 1 17 17 ILE HB H 1 1.9200 0.0000 . 1 . . . . A 17 ILE HB . 30263 1 106 . 1 1 17 17 ILE HG21 H 1 0.8500 0.0000 . 1 . . . . A 17 ILE HG21 . 30263 1 107 . 1 1 17 17 ILE HG22 H 1 0.8500 0.0000 . 1 . . . . A 17 ILE HG22 . 30263 1 108 . 1 1 17 17 ILE HG23 H 1 0.8500 0.0000 . 1 . . . . A 17 ILE HG23 . 30263 1 109 . 1 1 17 17 ILE HD11 H 1 0.8200 0.0000 . 1 . . . . A 17 ILE HD11 . 30263 1 110 . 1 1 17 17 ILE HD12 H 1 0.8200 0.0000 . 1 . . . . A 17 ILE HD12 . 30263 1 111 . 1 1 17 17 ILE HD13 H 1 0.8200 0.0000 . 1 . . . . A 17 ILE HD13 . 30263 1 112 . 1 1 17 17 ILE CA C 13 58.6180 0.0000 . 1 . . . . A 17 ILE CA . 30263 1 113 . 1 1 18 18 SER H H 1 7.8100 0.0000 . 1 . . . . A 18 SER H . 30263 1 114 . 1 1 18 18 SER HA H 1 4.3640 0.0000 . 1 . . . . A 18 SER HA . 30263 1 115 . 1 1 18 18 SER HB2 H 1 3.8870 0.0000 . 1 . . . . A 18 SER HB2 . 30263 1 116 . 1 1 18 18 SER CA C 13 56.9630 0.0000 . 1 . . . . A 18 SER CA . 30263 1 117 . 1 1 19 19 ARG H H 1 7.7210 0.0000 . 1 . . . . A 19 ARG H . 30263 1 118 . 1 1 19 19 ARG HA H 1 4.2800 0.0000 . 1 . . . . A 19 ARG HA . 30263 1 119 . 1 1 19 19 ARG HB2 H 1 2.2200 0.0000 . 1 . . . . A 19 ARG HB2 . 30263 1 120 . 1 1 19 19 ARG HG2 H 1 1.6300 0.0000 . 1 . . . . A 19 ARG HG2 . 30263 1 121 . 1 1 19 19 ARG HD2 H 1 3.0770 0.0000 . 1 . . . . A 19 ARG HD2 . 30263 1 122 . 1 1 19 19 ARG CA C 13 55.9020 0.0000 . 1 . . . . A 19 ARG CA . 30263 1 123 . 1 1 20 20 ARG HA H 1 4.2140 0.0000 . 1 . . . . A 20 ARG HA . 30263 1 124 . 1 1 20 20 ARG HB2 H 1 1.9100 0.0000 . 1 . . . . A 20 ARG HB2 . 30263 1 125 . 1 1 20 20 ARG HG2 H 1 1.6900 0.0000 . 1 . . . . A 20 ARG HG2 . 30263 1 126 . 1 1 20 20 ARG HD2 H 1 3.2000 0.0000 . 1 . . . . A 20 ARG HD2 . 30263 1 127 . 1 1 20 20 ARG CA C 13 55.1200 0.0000 . 1 . . . . A 20 ARG CA . 30263 1 128 . 1 1 21 21 NH2 HN1 H 1 7.8510 0.0000 . 1 . . . . A 21 NH2 HN1 . 30263 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 30263 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H 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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1Hx 1Hy noesy_.nv 8012.82 8012.82 500.132 500.132 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 0 {3.HN} 8.06900 0.02900 0.04800 ++ {0.0} {?} {3.HA} 4.65800 0.09500 0.19300 ++ {0.0} {?} 173.12739563 9.6662 0 {?} 0 1 {1.HT1} 8.64400 0.03500 0.05500 ++ {0.0} {?} {1.HA} 4.39100 0.07200 0.09600 ++ {0.0} {?} 146.533828735 9.8051 0 {?} 0 2 {13.HN} 8.09300 0.02900 0.03800 ++ {0.0} {?} {13.HA} 4.35600 0.07900 0.10900 ++ {0.0} {?} 195.315460205 8.0926 0 {?} 0 3 {18.HN} 7.80600 0.03400 0.05700 ++ {0.0} {?} {18.HA} 4.35800 0.07200 0.18800 ++ {0.0} {?} 146.386932373 7.9465 0 {?} 0 4 {4.HN} 8.02100 0.03400 0.05400 ++ {0.0} {?} {4.HA} 4.28600 0.10000 0.09400 ++ {0.0} {?} 129.983200073 7.5448 0 {?} 0 5 {15.HN} 8.42800 0.02600 0.06000 ++ {0.0} {?} {15.HA} 4.19600 0.07600 0.08300 ++ {0.0} {?} 95.0304260254 6.1551 0 {?} 0 6 {10.HN} 8.15300 0.02800 0.06000 ++ {0.0} {?} {10.HA} 4.19200 0.08900 0.08600 ++ {0.0} {?} 184.905593872 11.4849 0 {?} 0 7 {9.HN} 8.03500 0.03800 0.04400 ++ {0.0} {?} {9.HA} 4.17400 0.07100 0.05100 ++ {0.0} {?} 48.7290878296 0.9407 -1 {?} 0 8 {20.HN} 7.84900 0.02100 0.04600 ++ {0.0} {?} {20.HA} 4.19400 0.11800 0.08600 ++ {0.0} {?} 106.284301758 8.9753 0 {?} 0 9 {16.HN} 7.66600 0.03600 0.04200 ++ {0.0} {?} {13.HA} 4.34500 0.07700 0.04700 ++ {0.0} {?} 38.962020874 2.1348 0 {?} 0 10 {11.HN} 8.27000 0.04200 0.05700 ++ {0.0} {?} {11.HA} 4.13100 0.06500 0.08800 ++ {0.0} {?} 172.485824585 6.8238 0 {?} 0 11 {5.HN} 7.80100 0.03000 0.04700 ++ {0.0} {?} {5.HA} 4.21300 0.08800 0.14300 ++ {0.0} {?} 99.4580154419 3.1687 0 {?} 0 12 {6.HN} 8.20700 0.03300 0.03800 ++ {0.0} {?} {6.HA} 4.10000 0.04600 0.04400 ++ {0.0} {?} 63.5409126282 6.5693 0 {?} 0 13 {17.HN} 7.98400 0.03700 0.06000 ++ {0.0} {?} {17.HA} 4.05400 0.06800 0.07900 ++ {0.0} {?} 123.099143982 6.0490 0 {?} 0 14 {18.HN} 7.81300 0.03100 0.03800 ++ {0.0} {?} {18.HB2} 3.88800 0.15800 0.07000 ++ {0.0} {?} 103.095787048 5.6654 0 {?} 0 15 {8.HN} 8.40900 0.02500 0.03500 ++ {0.0} {?} {8.HA} 3.84400 0.08900 0.12600 ++ {0.0} {?} 112.383903503 8.0860 0 {?} 0 16 {19.HN} 7.72100 0.03000 0.04400 ++ {0.0} {?} {19.HA} 4.28000 0.09600 0.09000 ++ {0.0} {?} 103.735305786 6.3947 0 {?} 0 17 {16.HN} 7.66200 0.04100 0.04200 ++ {0.0} {?} {16.HA} 4.28800 0.08700 0.06800 ++ {0.0} {?} 53.3871498108 2.5092 0 {?} 0 18 {14.HN} 8.55100 0.02600 0.03700 ++ {0.0} {?} {14.HA2} 3.78800 0.09500 0.06600 ++ {0.0} {?} 158.141479492 9.4807 0 {?} 0 19 {7.HN} 8.27000 0.03700 0.04800 ++ {0.0} {?} {7.HA} 3.69700 0.07900 0.10900 ++ {0.0} {?} 122.054107666 6.5751 0 {?} 0 20 {2.HN} 8.07000 0.04100 0.07800 ++ {0.0} {?} {2.HA} 4.03200 0.06900 0.13700 ++ {0.0} {?} 341.221862793 11.5692 0 {?} 0 21 {3.HD1} 7.17000 0.02500 0.03500 ++ {0.0} {?} {3.HE1} 6.83300 0.07600 0.22300 ++ {0.0} {?} 1383.9440918 106.2221 0 {?} 0 22 {13.HD2} 7.11800 0.03000 0.04300 ++ {0.0} {?} {13.HE1} 6.80600 0.07100 0.25000 ++ {0.0} {?} 1865.29711914 114.7211 0 {?} 0 23 {15.HD1} 7.02900 0.03100 0.08500 ++ {0.0} {?} {15.HE1} 6.78400 0.11300 0.21800 ++ {0.0} {?} 1583.41442871 107.5379 0 {?} 0 24 {6.HE21} 6.82800 0.04200 0.05000 ++ {0.0} {?} {6.HE21} 7.32400 0.16100 0.13200 ++ {0.0} {?} 1610.89855957 58.6873 0 {?} 0 25 {2.HE21} 6.78300 0.02900 0.05000 ++ {0.0} {?} {2.HE22} 7.32400 0.06500 0.11200 ++ {0.0} {?} 1262.3203125 117.5080 0 {?} 0 26 {9.HE21} 6.70500 0.02600 0.03200 ++ {0.0} {?} {9.HE22} 7.32500 0.06700 0.08500 ++ {0.0} {?} 748.306640625 60.7495 0 {?} 0 27 {1.HT3} 8.64400 0.02900 0.06200 ++ {0.0} {?} {1.HB2} 2.03200 0.13100 0.18800 ++ {0.0} {?} 246.396820068 12.3409 0 {?} 0 28 {1.HT2} 8.64300 0.02700 0.05500 ++ {0.0} {?} {1.HB1} 1.90000 0.13100 0.18800 ++ {0.0} {?} 296.7394104 10.1683 0 {?} 0 29 {1.HB2} 2.04200 0.04000 0.08900 ++ {0.0} {?} {1.HA} 4.38900 0.03900 0.09100 ++ {0.0} {?} 151.119445801 12.6652 0 {?} 0 30 {1.HB1} 1.91600 0.05100 0.10100 ++ {0.0} {?} {1.HA} 4.37800 0.07300 0.15200 ++ {0.0} {?} 383.018249512 13.6471 0 {?} 0 31 {1.HG1} 1.86300 0.05100 0.10100 ++ {0.0} {?} {1.HA} 4.38700 0.07300 0.15200 ++ {0.0} {?} 339.925689697 11.1397 0 {?} 0 32 {15.HN} 8.43000 0.03200 0.04600 ++ {0.0} {?} {15.HB1} 3.17300 0.06500 0.09300 ++ {0.0} {?} 84.581199646 5.3562 0 {?} 0 33 {8.HG1} 2.69100 0.04300 0.05700 ++ {0.0} {?} {8.HA} 3.84500 0.07700 0.10000 ++ {0.0} {?} 107.472816467 4.4574 0 {?} 0 34 {8.HG2} 2.65700 0.04300 0.05700 ++ {0.0} {?} {8.HA} 3.84900 0.07700 0.10000 ++ {0.0} {?} 120.003601074 5.0609 0 {?} 0 35 {8.HB2} 2.34500 0.06100 0.05900 ++ {0.0} {?} {8.HA} 3.84400 0.03600 0.07700 ++ {0.0} {?} 109.497024536 7.4363 0 {?} 0 36 {8.HB1} 2.27900 0.04800 0.07200 ++ {0.0} {?} {8.HA} 3.85000 0.03500 0.08000 ++ {0.0} {?} 215.378433228 14.6523 0 {?} 0 37 {7.HN} 8.27100 0.03200 0.04100 ++ {0.0} {?} {7.HB} 2.09600 0.07600 0.11000 ++ {0.0} {?} 217.033294678 12.2890 0 {?} 0 38 {11.HN} 8.27300 0.06900 0.07100 ++ {0.0} {?} {11.HD11} 0.89700 0.10500 0.11000 ++ {0.0} {?} 642.849914551 22.7853 0 {?} 0 39 {7.HB} 2.10100 0.02500 0.03500 ++ {0.0} {?} {7.HA} 3.69400 0.03700 0.06400 ++ {0.0} {?} 30.8453865051 4.2163 0 {?} 0 40 {7.HG21} 0.91700 0.03500 0.06400 ++ {0.0} {?} {7.HA} 3.69500 0.03800 0.11000 ++ {0.0} {?} 285.547912598 31.4108 0 {?} 0 41 {17.HN} 7.99100 0.03200 0.03400 ++ {0.0} {?} {17.HB} 1.90900 0.07700 0.08300 ++ {0.0} {?} 178.350296021 10.3752 0 {?} 0 42 {17.HN} 7.98900 0.04100 0.03600 ++ {0.0} {?} {17.HD11} 0.84600 0.10800 0.09800 ++ {0.0} {?} 145.602294922 8.1892 0 {?} 0 43 {17.HB} 1.90900 0.07700 0.07800 ++ {0.0} {?} {17.HA} 4.03000 0.04900 0.10100 ++ {0.0} {?} 796.045410156 25.9980 0 {?} 0 44 {17.HG21} 0.85600 0.02600 0.04200 ++ {0.0} {?} {17.HA} 4.03800 0.06000 0.15400 ++ {0.0} {?} 390.477630615 28.3819 0 {?} 0 45 {10.HN} 8.15100 0.02800 0.04400 ++ {0.0} {?} {10.HB1} 1.58200 0.08300 0.13100 ++ {0.0} {?} 211.322967529 12.6856 0 {?} 0 46 {10.HB1} 1.57800 0.03200 0.05900 ++ {0.0} {?} {10.HA} 4.19000 0.04300 0.11000 ++ {0.0} {?} 293.670135498 37.4206 0 {?} 0 47 {3.HB2} 3.13800 0.03400 0.03200 ++ {0.0} {?} {3.HA} 4.66600 0.08500 0.07700 ++ {0.0} {?} 137.170089722 7.1536 0 {?} 0 48 {3.HB1} 3.02800 0.02500 0.03500 ++ {0.0} {?} {3.HA} 4.66700 0.10300 0.08200 ++ {0.0} {?} 85.2760314941 5.1165 0 {?} 0 49 {3.HN} 8.07100 0.03900 0.04200 ++ {0.0} {?} {3.HB2} 3.14500 0.09000 0.10500 ++ {0.0} {?} 258.765716553 10.5920 0 {?} 0 50 {3.HN} 8.06400 0.02400 0.03500 ++ {0.0} {?} {3.HB1} 3.02200 0.07400 0.09300 ++ {0.0} {?} 104.9141922 6.5209 0 {?} 0 51 {9.HN} 8.07800 0.03000 0.02800 ++ {0.0} {?} {9.HG2} 2.51300 0.08200 0.07800 ++ {0.0} {?} 192.187866211 13.0652 0 {?} 0 52 {9.HN} 8.07100 0.03100 0.02900 ++ {0.0} {?} {9.HB2} 2.34200 0.14000 0.12800 ++ {0.0} {?} 157.889221191 5.3321 0 {?} 0 53 {9.HG2} 2.52400 0.04000 0.06200 ++ {0.0} {?} {9.HA} 4.20700 0.07400 0.12000 ++ {0.0} {?} 532.39263916 26.3208 0 {?} 0 54 {9.HB2} 2.35363 0.05800 0.06200 ++ {0.0} {?} {9.HA} 4.19100 0.07300 0.08000 ++ {0.0} {?} 183.746109009 6.2540 0 {?} 0 55 {20.HN} 7.85400 0.01400 0.01600 ++ {0.0} {?} {20.HD2} 3.20900 0.05100 0.06400 ++ {0.0} {?} 9.99342155457 1.3193 0 {?} 0 56 {20.HN} 7.85300 0.03300 0.05200 ++ {0.0} {?} {20.HB1} 1.79000 0.08400 0.17200 ++ {0.0} {?} 115.173377991 5.8415 0 {?} 0 57 {20.HN} 7.85300 0.02700 0.04200 ++ {0.0} {?} {20.HB2} 1.92200 0.05000 0.10200 ++ {0.0} {?} 91.1756896973 8.2140 0 {?} 0 58 {20.HN} 7.85300 0.03300 0.05200 ++ {0.0} {?} {20.HG2} 1.67700 0.08400 0.17200 ++ {0.0} {?} 166.690383911 7.8294 0 {?} 0 59 {5.HD2} 3.20800 0.08300 0.06100 ++ {0.0} {?} {5.HA} 4.19400 0.03700 0.08100 ++ {0.0} {?} 182.774581909 12.2756 0 {?} 0 60 {5.HN} 7.80800 0.01500 0.02200 ++ {0.0} {?} {5.HD2} 3.18600 0.06900 0.04400 ++ {0.0} {?} 12.4882984161 1.7806 0 {?} 0 61 {20.HB2} 1.91400 0.05100 0.07700 ++ {0.0} {?} {20.HA} 4.19100 0.05200 0.07500 ++ {0.0} {?} 336.34979248 14.5078 0 {?} 0 62 {20.HB1} 1.79600 0.05900 0.08600 ++ {0.0} {?} {20.HA} 4.19400 0.07400 0.11700 ++ {0.0} {?} 285.990631104 10.6146 0 {?} 0 63 {5.HG2} 1.67000 0.04900 0.06900 ++ {0.0} {?} {5.HA} 4.19400 0.03000 0.05800 ++ {0.0} {?} 166.324203491 13.1470 0 {?} 0 64 {5.HN} 7.80100 0.02900 0.03000 ++ {0.0} {?} {4.HB1} 1.72200 0.04600 0.05100 ++ {0.0} {?} 27.1885051727 2.9682 0 {?} 0 65 {5.HN} 7.80100 0.03500 0.05000 ++ {0.0} {?} {5.HG2} 1.67500 0.08600 0.07600 ++ {0.0} {?} 120.10912323 5.7365 0 {?} 0 66 {5.HN} 7.80300 0.04300 0.04600 ++ {0.0} {?} {5.HB1} 1.80000 0.06600 0.07200 ++ {0.0} {?} 70.6806945801 3.3117 0 {?} 0 67 {15.HB1} 3.15000 0.04200 0.05500 ++ {0.0} {?} {15.HA} 4.19300 0.05500 0.09000 ++ {0.0} {?} 260.130584717 11.5858 0 {?} 0 68 {4.HN} 8.01800 0.02500 0.02900 ++ {0.0} {?} {4.HB2} 2.20000 0.09300 0.11000 ++ {0.0} {?} 122.34286499 8.4755 0 {?} 0 69 {4.HG2} 2.67700 0.03300 0.05200 ++ {0.0} {?} {4.HA} 4.28900 0.04700 0.07400 ++ {0.0} {?} 76.192741394 6.4579 0 {?} 0 70 {4.HG2} 2.62400 0.03200 0.05300 ++ {0.0} {?} {4.HA} 4.28700 0.05000 0.07800 ++ {0.0} {?} 80.8192825317 5.6955 0 {?} 0 71 {16.HB2} 2.19400 0.05900 0.07300 ++ {0.0} {?} {16.HA} 4.28800 0.07300 0.08800 ++ {0.0} {?} 219.887939453 8.1131 0 {?} 0 72 {16.HB1} 2.09800 0.03100 0.04000 ++ {0.0} {?} {16.HA} 4.28800 0.04600 0.06100 ++ {0.0} {?} 152.927871704 12.2679 0 {?} 0 73 {2.HN} 8.08400 0.03100 0.02500 ++ {0.0} {?} {2.HB2} 2.27800 0.21900 0.16800 ++ {0.0} {?} 271.168273926 13.1581 0 {?} 0 74 {2.HN} 8.08100 0.03100 0.02400 ++ {0.0} {?} {2.HB1} 2.16800 0.21900 0.10600 ++ {0.0} {?} 116.931671143 5.0605 0 {?} 0 75 {2.HB1} 2.17800 0.03000 0.04600 ++ {0.0} {?} {2.HA} 4.03800 0.06000 0.10100 ++ {0.0} {?} 131.505981445 7.6845 0 {?} 0 76 {2.HB2} 2.28500 0.05100 0.08000 ++ {0.0} {?} {2.HA} 4.04100 0.04100 0.07800 ++ {0.0} {?} 130.357040405 10.1245 0 {?} 0 77 {2.HG1} 2.53100 0.08300 0.05100 ++ {0.0} {?} {2.HA} 4.02400 0.09400 0.14000 ++ {0.0} {?} 273.859436035 10.3803 0 {?} 0 78 {2.HG2} 2.49400 0.07200 0.06300 ++ {0.0} {?} {2.HA} 4.03000 0.06800 0.15500 ++ {0.0} {?} 256.487976074 8.5093 0 {?} 0 79 {18.HB2} 3.97200 0.02100 0.03000 ++ {0.0} {?} {18.Ha} 4.38400 0.06500 0.10800 ++ {0.0} {?} 180.796035767 14.9199 0 {?} 0 80 {18.HB1} 3.88600 0.04000 0.06300 ++ {0.0} {?} {18.Ha} 4.36600 0.07000 0.11200 ++ {0.0} {?} 299.634094238 13.4644 0 {?} 0 81 {9.HE22} 7.32200 0.02700 0.05300 ++ {0.0} {?} {9.HE21} 6.69000 0.09900 0.16100 ++ {0.0} {?} 869.050109863 50.5931 0 {?} 0 82 {2.HE22} 7.30600 0.02700 0.03900 ++ {0.0} {?} {3.HE1} 6.83800 0.09900 0.11000 ++ {0.0} {?} 891.039306641 46.4562 0 {?} 0 83 {2.HE22} 7.32100 0.02700 0.04000 ++ {0.0} {?} {2.HE21} 6.77300 0.09900 0.16400 ++ {0.0} {?} 1581.52099609 58.7313 0 {?} 0 84 {12.HN} 8.11800 0.03500 0.07400 ++ {0.0} {?} {12.Ha} 4.02700 0.07900 0.09500 ++ {0.0} {?} 333.891235352 13.7098 0 {?} 0 85 {Gln?} 8.27200 0.03000 0.05400 ++ {0.0} {?} {?} 4.54300 0.08800 0.14800 ++ {0.0} {?} -7.44531726837 -0.5808 -1 {?} 0 86 {?} 3.97700 0.01200 0.02200 ++ {0.0} {?} {?} 3.78400 0.02100 0.13000 ++ {0.0} {?} -5.35528612137 -1.4835 0 {?} 0 87 {15.HN} 8.43304 0.02600 0.04759 ++ {0.0} {?} {15.HB2} 3.06200 0.07600 0.08240 ++ {0.0} {?} 75.0301361084 4.9487 0 {?} 0 88 {8.HN} 8.41200 0.06900 0.06100 ++ {0.0} {?} {8.HB1} 2.27800 0.18400 0.15400 ++ {0.0} {?} 502.725036621 16.8527 0 {?} 0 89 {?} 3.33700 0.01700 0.01600 ++ {0.0} {?} {?} 3.84900 0.13800 0.13500 ++ {0.0} {?} -7.93547964096 -1.0809 -1 {?} 0 90 {7.HN} 8.26900 0.02800 0.02800 ++ {0.0} {?} {7.HG12} 1.46500 0.35700 0.09300 ++ {0.0} {?} 56.3435058594 4.0964 0 {?} 0 91 {11.HN} 8.27300 0.03400 0.03300 ++ {0.0} {?} {11.HB2} 1.97200 0.13500 0.12700 ++ {0.0} {?} 380.18347168 14.0014 0 {?} 0 92 {11.HD11} 0.87700 0.02600 0.03400 ++ {0.0} {?} {11.HA} 4.13100 0.09200 0.13800 ++ {0.0} {?} 641.826843262 44.5701 0 {?} 0 93 {11.HB2} 1.97000 0.02200 0.04200 ++ {0.0} {?} {11.HA} 4.13000 0.06900 0.11000 ++ {0.0} {?} 136.29107666 10.3058 0 {?} 0 94 {?} 2.98800 0.02000 0.02200 ++ {0.0} {?} {?} 4.66200 0.09700 0.10700 ++ {0.0} {?} 47.4224090576 3.1933 -1 {?} 0 95 {13.HB2} 3.23500 0.05500 0.06300 ++ {0.0} {?} {13.HA} 4.35500 0.05900 0.07200 ++ {0.0} {?} 280.844726562 10.3617 0 {?} 0 96 {13.HB1} 3.14281 0.03100 0.06200 ++ {0.0} {?} {13.HA} 4.35588 0.05600 0.08400 ++ {0.0} {?} 184.22479248 9.9336 0 {?} 0 97 {13.HB2} 3.22400 0.02500 0.03000 ++ {0.0} {?} {13.HA} 4.40200 0.04500 0.06900 ++ {0.0} {?} 13.040517807 1.1698 -1 {?} 0 98 {13.HB1} 3.13716 0.05200 0.04385 ++ {0.0} {?} {13.HA} 4.37350 0.05500 0.06039 ++ {0.0} {?} 200.564834595 8.1633 0 {?} 0 99 {9.HB2} 2.33300 0.03200 0.04400 ++ {0.0} {?} {9.HA} 4.19700 0.14400 0.05700 ++ {0.0} {?} 123.058502197 6.1657 -1 {?} 0 100 {5.HB1} 1.73600 0.01100 0.03300 ++ {0.0} {?} {5.HA} 4.22000 0.01800 0.03800 ++ {0.0} {?} 3.41658616066 1.0882 0 {?} 0 101 {13.HE1} 6.82100 0.01300 0.03300 ++ {0.0} {?} {12.HD2} 3.23300 0.04100 0.09900 ++ {0.0} {?} 52.3707733154 11.2142 0 {?} 0 102 {15.HE1} 6.78700 0.04000 0.04300 ++ {0.0} {?} {15.HB1} 3.16900 0.10900 0.18200 ++ {0.0} {?} 445.807678223 12.0737 0 {?} 0 103 {13.HE1} 6.78300 0.03100 0.03500 ++ {0.0} {?} {10.HB1} 1.63200 0.06600 0.08300 ++ {0.0} {?} 204.956756592 12.2834 0 {?} 0 104 {3.HE1} 6.83700 0.01600 0.03400 ++ {0.0} {?} {4.HE1} 1.62600 0.05100 0.12800 ++ {0.0} {?} 95.7555923462 11.4002 0 {?} 0 105 {3.HE1} 6.82500 0.03100 0.03100 ++ {0.0} {?} {1.HG2} 1.89600 0.11700 0.11300 ++ {0.0} {?} 197.608551025 8.5961 0 {?} 0 106 {?} 7.22700 0.02500 0.04600 ++ {0.0} {?} {?} 3.23200 0.02400 0.10000 ++ {0.0} {?} 159.16960144 20.0864 0 {?} 0 107 {3.HD1} 7.18700 0.03000 0.04600 ++ {0.0} {?} {1.HD2} 3.21100 0.04100 0.13000 ++ {0.0} {?} 175.033782959 20.2650 0 {?} 0 108 {13.HD2} 7.12700 0.02100 0.05800 ++ {0.0} {?} {13.HB2} 3.23000 0.02400 0.10200 ++ {0.0} {?} 257.271484375 39.2724 0 {?} 0 109 {13.HD2} 7.11300 0.05700 0.05700 ++ {0.0} {?} {13.HB1} 3.15200 0.02400 0.13000 ++ {0.0} {?} 426.923950195 44.2973 0 {?} 0 110 {?} 7.22700 0.02100 0.03500 ++ {0.0} {?} {?} 2.04500 0.05600 0.09100 ++ {0.0} {?} 53.8266029358 4.5538 0 {?} 0 111 {?} 7.23100 0.01600 0.04600 ++ {0.0} {?} {?} 1.69000 0.05100 0.10800 ++ {0.0} {?} 74.9281158447 8.4571 0 {?} 0 112 {?} 7.22900 0.01200 0.03700 ++ {0.0} {?} {?} 1.84900 0.03000 0.08800 ++ {0.0} {?} 19.0619792938 4.0140 0 {?} 0 113 {3.HD1} 7.18900 0.00900 0.03500 ++ {0.0} {?} {4.HE1} 1.61600 0.04900 0.11800 ++ {0.0} {?} 25.4318180084 6.1292 0 {?} 0 114 {3.HD1} 7.18500 0.01500 0.04800 ++ {0.0} {?} {1.HB1} 1.89600 0.05100 0.14700 ++ {0.0} {?} 122.258117676 13.2448 0 {?} 0 115 {6.HE21} 7.10000 0.02400 0.04700 ++ {0.0} {?} {4.HE1} 1.66500 0.02000 0.07100 ++ {0.0} {?} 88.7241287231 11.6238 0 {?} 0 116 {6.HE21} 7.11300 0.02600 0.05100 ++ {0.0} {?} {6.HG2} 1.88300 0.04600 0.23100 ++ {0.0} {?} 125.114372253 13.5099 0 {?} 0 117 {6.HE21} 7.11100 0.02400 0.04700 ++ {0.0} {?} {7.HG12} 1.50000 0.04100 0.15000 ++ {0.0} {?} 67.5670852661 9.6702 0 {?} 0 118 {19.HN} 7.72300 0.02800 0.03900 ++ {0.0} {?} {17.HB} 1.91000 0.08500 0.12100 ++ {0.0} {?} 94.8071365356 5.9469 0 {?} 0 119 {19.HN} 7.72200 0.03000 0.05100 ++ {0.0} {?} {19.HG1} 1.69200 0.11100 0.24500 ++ {0.0} {?} 171.910675049 4.4560 0 {?} 0 120 {16.HN} 7.65700 0.03200 0.03300 ++ {0.0} {?} {16.HG2} 1.69000 0.10100 0.10500 ++ {0.0} {?} 69.0410003662 3.0627 0 {?} 0 121 {19.HN} 7.72100 0.01500 0.01500 ++ {0.0} {?} {19.HD2} 3.07100 0.11200 0.07700 ++ {0.0} {?} 16.8699588776 1.8117 0 {?} 0 122 {15.HB2} 3.06465 0.06100 0.05414 ++ {0.0} {?} {15.HA} 4.18862 0.10700 0.09297 ++ {0.0} {?} 203.404006958 7.4048 -1 {?} 0 123 {19.HG2} 1.63100 0.03500 0.03800 ++ {0.0} {?} {19.HA} 4.28100 0.04000 0.04900 ++ {0.0} {?} 78.7151870728 8.3506 0 {?} 0 124 {19.HG1} 1.71600 0.02400 0.05000 ++ {0.0} {?} {19.HA} 4.28300 0.03500 0.07800 ++ {0.0} {?} 57.6131248474 6.6996 0 {?} 0 125 {13.HN} 8.09500 0.04500 0.03200 ++ {0.0} {?} {13.HB1} 3.13900 0.17000 0.15300 ++ {0.0} {?} 318.907440186 10.6921 0 {?} 0 126 {6.HN} 8.20700 0.03700 0.03500 ++ {0.0} {?} {6.HG2} 1.89900 0.10400 0.09800 ++ {0.0} {?} 259.145782471 10.5219 0 {?} 0 127 {6.HN} 8.20600 0.02200 0.03500 ++ {0.0} {?} {6.HB2} 1.57100 0.04100 0.07600 ++ {0.0} {?} 36.8181533813 5.4797 0 {?} 0 128 {12.HD2} 3.24287 0.02100 0.04800 ++ {0.0} {?} {12.HA} 4.02739 0.07800 0.06786 ++ {0.0} {?} 111.050727844 6.2734 0 {?} 0 129 {13.HB1} 3.15400 0.05200 0.06100 ++ {0.0} {?} {12.HA} 4.03000 0.03800 0.07000 ++ {0.0} {?} 205.526199341 16.7175 0 {?} 0 130 {12.HB1} 1.69300 0.03500 0.03800 ++ {0.0} {?} {12.HA} 4.04100 0.04000 0.04900 ++ {0.0} {?} 34.5297088623 2.7881 0 {?} 0 131 {17.HG12} 1.28600 0.02100 0.02700 ++ {0.0} {?} {17.HA} 4.09600 0.09200 0.19100 ++ {0.0} {?} -3.08552455902 -1.6326 0 {?} 0 132 {?} 1.31700 0.02400 0.06000 ++ {0.0} {?} {?} 4.11400 0.06700 0.12500 ++ {0.0} {?} -34.198059082 -1.1648 0 {?} 0 133 {17.HD11} 0.82400 0.01200 0.01200 ++ {0.0} {?} {17.HA} 4.04500 0.08900 0.14900 ++ {0.0} {?} 51.9205551147 6.0809 0 {?} 0 134 {17.HG11} 1.45500 0.02500 0.02500 ++ {0.0} {?} {14.HA2} 3.79300 0.10200 0.11600 ++ {0.0} {?} 44.1670761108 2.3723 0 {?} 0 135 {17.HA} 4.01300 0.02400 0.04200 ++ {0.0} {?} {17.HG21} 0.84300 0.05600 0.14600 ++ {0.0} {?} 195.245040894 13.9773 0 {?} 0 136 {17.HA} 4.06200 0.03500 0.06200 ++ {0.0} {?} {17.HG21} 0.84800 0.07600 0.19800 ++ {0.0} {?} 403.628356934 22.9676 0 {?} 0 137 {11.HA} 4.12900 0.02300 0.02200 ++ {0.0} {?} {11.HD11} 0.88500 0.08700 0.08500 ++ {0.0} {?} 295.320800781 23.0502 0 {?} 0 138 {?} 4.12700 0.02200 0.03300 ++ {0.0} {?} {?} 1.32400 0.07700 0.21400 ++ {0.0} {?} -26.312002182 -2.0724 0 {?} 0 139 {?} 3.69900 0.04300 0.07700 ++ {0.0} {?} {?} 0.83400 0.07500 0.23300 ++ {0.0} {?} 211.922943115 4.0699 0 {?} 0 140 {7.HA} 3.70500 0.04300 0.07700 ++ {0.0} {?} {7.HG21} 0.91400 0.07500 0.23300 ++ {0.0} {?} 809.391662598 37.1903 0 {?} 0 141 {?} 3.67700 0.01400 0.02700 ++ {0.0} {?} {?} 1.12700 0.09100 0.10200 ++ {0.0} {?} 14.9015522003 0.2264 0 {?} 0 142 {?} 3.65000 0.01700 0.04300 ++ {0.0} {?} {?} 1.16600 0.06100 0.09800 ++ {0.0} {?} -8.85017776489 -1.7629 0 {?} 0 143 {?} 3.62200 0.02000 0.02000 ++ {0.0} {?} {?} 1.15700 0.08100 0.09900 ++ {0.0} {?} 2.41093683243 0.4670 0 {?} 0 144 {17.HA} 4.08100 0.01800 0.02700 ++ {0.0} {?} {17.HG12} 1.29200 0.06100 0.07600 ++ {0.0} {?} 11.4961585999 0.8805 0 {?} 0 145 {17.HA} 4.05600 0.01200 0.01200 ++ {0.0} {?} {17.HG12} 1.27500 0.08200 0.07000 ++ {0.0} {?} 21.2297649384 2.0582 0 {?} 0 146 {10.HA} 4.20200 0.02100 0.04400 ++ {0.0} {?} {10.HB1} 1.57400 0.03300 0.08400 ++ {0.0} {?} 92.5829391479 13.8389 0 {?} 0 147 {5.HA} 4.19400 0.02200 0.03400 ++ {0.0} {?} {5.HG2} 1.66500 0.03000 0.06900 ++ {0.0} {?} 52.147315979 8.0342 0 {?} 0 148 {19.HA} 4.28200 0.03400 0.03700 ++ {0.0} {?} {19.HG1} 1.71700 0.07100 0.07900 ++ {0.0} {?} 62.3384475708 3.3039 0 {?} 0 149 {6.HA} 4.09500 0.02600 0.04000 ++ {0.0} {?} {4.HB1} 1.71100 0.08800 0.11000 ++ {0.0} {?} 122.961639404 7.6740 0 {?} 0 150 {12.HA} 4.02600 0.03600 0.07200 ++ {0.0} {?} {12.HG1} 1.53300 0.08700 0.20200 ++ {0.0} {?} 202.684402466 7.0361 0 {?} 0 151 {6.HA} 4.09300 0.02300 0.03700 ++ {0.0} {?} {6.HG2} 1.88400 0.05500 0.12400 ++ {0.0} {?} 223.847412109 14.1597 0 {?} 0 152 {12.HA} 4.02600 0.09400 0.09000 ++ {0.0} {?} {12.HB2} 1.89200 0.12800 0.11800 ++ {0.0} {?} 1915.54016113 34.7130 0 {?} 0 153 {1.HA} 4.38800 0.04200 0.04200 ++ {0.0} {?} {1.HG1} 1.87800 0.15600 0.14000 ++ {0.0} {?} 136.317733765 4.6934 0 {?} 0 154 {1.HA} 4.39100 0.02700 0.02800 ++ {0.0} {?} {1.HB2} 2.04800 0.10000 0.10400 ++ {0.0} {?} 40.92137146 3.0013 0 {?} 0 155 {12.HA} 3.99500 0.02500 0.04700 ++ {0.0} {?} {12.HB1} 1.67200 0.23400 0.12800 ++ {0.0} {?} 337.749603271 11.4874 0 {?} 0 156 {2.HA} 4.03000 0.04400 0.04300 ++ {0.0} {?} {2.HB2} 2.28600 0.08400 0.07800 ++ {0.0} {?} 191.838989258 9.9307 0 {?} 0 157 {11.HA} 4.13500 0.02900 0.04700 ++ {0.0} {?} {11.HB2} 1.96800 0.04100 0.09400 ++ {0.0} {?} 104.138214111 10.9491 0 {?} 0 158 {7.HA} 3.70500 0.04200 0.06800 ++ {0.0} {?} {7.HB} 2.09300 0.04800 0.11000 ++ {0.0} {?} 177.34765625 10.5554 0 {?} 0 159 {7.HA} 3.70500 0.04200 0.06700 ++ {0.0} {?} {7.HB} 2.09300 0.08600 0.19500 ++ {0.0} {?} 245.955993652 10.5554 0 {?} 0 160 {7.HA} 3.70500 0.04200 0.06700 ++ {0.0} {?} {7.HB} 2.09300 0.08600 0.19500 ++ {0.0} {?} 245.955993652 10.5554 0 {?} 0 161 {7.HA} 3.70500 0.04200 0.06700 ++ {0.0} {?} {7.HB} 2.09300 0.08600 0.19500 ++ {0.0} {?} 245.955993652 10.5554 0 {?} 0 162 {2.HA} 4.00200 0.03100 0.05700 ++ {0.0} {?} {1.HB2} 2.02400 0.07700 0.18500 ++ {0.0} {?} 196.495498657 9.7048 0 {?} 0 163 {8.HA} 3.85000 0.03800 0.06900 ++ {0.0} {?} {8.HB1} 2.28600 0.07400 0.17700 ++ {0.0} {?} 624.053344727 27.7114 0 {?} 0 164 {7.HA} 3.70500 0.04200 0.06700 ++ {0.0} {?} {7.HB} 2.09300 0.08600 0.19500 ++ {0.0} {?} 245.955993652 10.5554 0 {?} 0 165 {7.HA} 3.69700 0.05200 0.05000 ++ {0.0} {?} {6.HG2} 1.90600 0.11100 0.10300 ++ {0.0} {?} 274.659088135 10.6208 0 {?} 0 166 {16.HA} 4.28900 0.03300 0.03900 ++ {0.0} {?} {16.HB2} 2.18700 0.07700 0.08900 ++ {0.0} {?} 51.5646820068 3.0992 0 {?} 0 167 {9.HA} 4.20100 0.03800 0.04700 ++ {0.0} {?} {9.HB2} 2.35700 0.07100 0.08900 ++ {0.0} {?} 49.6849441528 1.4197 0 {?} 0 168 {15.HA} 4.18600 0.02100 0.01700 ++ {0.0} {?} {16.HB1} 2.09600 0.07500 0.05200 ++ {0.0} {?} 32.0023002625 3.3246 0 {?} 0 169 {4.HA} 4.30200 0.00700 0.01000 ++ {0.0} {?} {4.HG1} 2.64500 0.06700 0.10800 ++ {0.0} {?} 7.43417644501 1.5192 0 {?} 0 170 {9.HA} 4.19400 0.02500 0.03400 ++ {0.0} {?} {9.HG2} 2.51700 0.01900 0.07400 ++ {0.0} {?} 63.4786186218 7.3760 0 {?} 0 171 {2.HA} 4.03100 0.04300 0.07300 ++ {0.0} {?} {2.HG1} 2.51700 0.08400 0.19100 ++ {0.0} {?} 189.312103271 8.6395 0 {?} 0 172 {8.HA} 3.84900 0.03300 0.05500 ++ {0.0} {?} {8.HG1} 2.66500 0.05700 0.11300 ++ {0.0} {?} 151.772018433 9.6340 0 {?} 0 173 {20.HA} 4.20700 0.05400 0.07500 ++ {0.0} {?} {20.HD2} 3.19300 0.02900 0.16700 ++ {0.0} {?} 97.6199874878 8.5850 0 {?} 0 174 {6.HA} 4.10200 0.04200 0.08200 ++ {0.0} {?} {5.HD2} 3.22500 0.07300 0.12200 ++ {0.0} {?} 128.988128662 5.5615 0 {?} 0 175 {2.HA} 4.00200 0.03100 0.08100 ++ {0.0} {?} {1.HD2} 3.22600 0.07300 0.16300 ++ {0.0} {?} 244.037384033 9.2851 0 {?} 0 176 {2.HA} 4.01900 0.02900 0.07800 ++ {0.0} {?} {3.HB2} 3.15300 0.05500 0.12400 ++ {0.0} {?} 295.613647461 17.5053 0 {?} 0 177 {20.HD2} 3.22500 0.11900 0.11900 ++ {0.0} {?} {20.HG2} 1.69200 0.13800 0.16300 ++ {0.0} {?} 2784.14331055 42.7018 0 {?} 0 178 {1.HD1} 3.15200 0.05100 0.05100 ++ {0.0} {?} {1.HG1} 1.87100 0.25600 0.12300 ++ {0.0} {?} 959.911865234 19.7108 0 {?} 0 179 {3.HB1} 3.03100 0.06000 0.06000 ++ {0.0} {?} {4.HE1} 1.62900 0.69400 0.30300 ++ {0.0} {?} 652.184631348 12.4501 0 {?} 0 180 {19.HD2} 3.05500 0.15800 0.15800 ++ {0.0} {?} {19.HG2} 1.64800 0.28700 0.16800 ++ {0.0} {?} 1109.95300293 9.0122 0 {?} 0 181 {1.HD2} 3.23500 0.15100 0.09500 ++ {0.0} {?} {1.HG2} 1.88400 0.25100 0.14300 ++ {0.0} {?} 2250.33984375 28.2112 0 {?} 0 182 {15.HB1} 3.14700 0.05200 0.07200 ++ {0.0} {?} {17.HG11} 1.50500 0.05700 0.10300 ++ {0.0} {?} 355.219146729 14.9575 0 {?} 0 183 {12.HD2} 3.22100 0.03700 0.08400 ++ {0.0} {?} {12.HG2} 1.55800 0.07700 0.24100 ++ {0.0} {?} 144.591140747 3.1653 0 {?} 0 184 {19.HD2} 3.05900 0.04800 0.07800 ++ {0.0} {?} {19.HB1} 1.90400 0.09800 0.12400 ++ {0.0} {?} 262.739471436 8.0050 0 {?} 0 185 {?} 3.21300 0.04800 0.04800 ++ {0.0} {?} {?} 1.37900 0.26000 0.18000 ++ {0.0} {?} 31.9699420929 0.0996 -1 {?} 0 186 {?} 2.91900 0.01300 0.03400 ++ {0.0} {?} {?} 1.76300 0.02400 0.10900 ++ {0.0} {?} 36.3914871216 9.2521 0 {?} 0 187 {?} 2.88800 0.04500 0.04500 ++ {0.0} {?} {?} 1.75200 0.17600 0.20800 ++ {0.0} {?} -62.963344574 -3.8600 -1 {?} 0 188 {?} 2.92200 0.03000 0.03000 ++ {0.0} {?} {?} 1.60900 0.14000 0.14000 ++ {0.0} {?} -2.96039366722 -0.6671 -1 {?} 0 189 {1.HD2} 3.23800 0.05200 0.05200 ++ {0.0} {?} {1.HB2} 2.04600 0.22600 0.09900 ++ {0.0} {?} 351.396026611 9.8961 0 {?} 0 190 {?} 2.87900 0.01200 0.01200 ++ {0.0} {?} {?} 1.59200 0.06100 0.11200 ++ {0.0} {?} -0.239899888635 0.1668 -1 {?} 0 191 {?} 2.90100 0.00500 0.01800 ++ {0.0} {?} {?} 1.59500 0.03400 0.11200 ++ {0.0} {?} -0.364696413279 -0.3647 -1 {?} 0 192 {?} 2.85300 0.03300 0.03300 ++ {0.0} {?} {?} 1.74400 0.24500 0.11800 ++ {0.0} {?} -5.17205142975 -0.1943 -1 {?} 0 193 {?} 2.29500 0.04600 0.06400 ++ {0.0} {?} {?} 1.34000 0.07000 0.10400 ++ {0.0} {?} -12.8514976501 0.1636 0 {?} 0 194 {} 2.29700 0.04500 0.06500 ++ {0.0} {?} {} 1.58500 0.07400 0.11300 ++ {0.0} {?} -6.60501623154 0.1421 -1 {?} 0 195 {2.HG1} 2.52300 0.01700 0.06000 ++ {0.0} {?} {2.HB1} 2.14600 0.08400 0.20000 ++ {0.0} {?} 201.742477417 15.6288 0 {?} 0 196 {?} 2.44700 0.01700 0.03300 ++ {0.0} {?} {?} 2.12800 0.02900 0.04400 ++ {0.0} {?} 7.21253347397 1.4942 0 {?} 0 197 {2.HG2} 2.51500 0.02000 0.06000 ++ {0.0} {?} {2.HB2} 2.30500 0.07000 0.19800 ++ {0.0} {?} 285.884643555 17.2393 0 {?} 0 198 {18.HA} 4.37200 0.03000 0.03500 ++ {0.0} {?} {18.HB2} 3.90400 0.14000 0.15500 ++ {0.0} {?} 58.4120292664 0.2171 0 {?} 0 199 {?} 3.48600 0.02000 0.02000 ++ {0.0} {?} {?} 3.96400 0.08700 0.09100 ++ {0.0} {?} -12.6263017654 -1.0144 -1 {?} 0 200 {?} 3.86100 0.02000 0.01800 ++ {0.0} {?} {?} 3.35600 0.08900 0.07500 ++ {0.0} {?} -20.0669307709 -2.0802 0 {?} 0 201 {?} 2.91400 0.01200 0.01200 ++ {0.0} {?} {?} 4.70300 0.06200 0.03600 ++ {0.0} {?} 1.15628087521 -0.0136 -1 {?} 0 202 {1.HB2} 2.04200 0.03000 0.06900 ++ {0.0} {?} {1.HD2} 3.22900 0.04600 0.08100 ++ {0.0} {?} 77.9801559448 6.3938 0 {?} 0 203 {?} 1.76900 0.03500 0.08500 ++ {0.0} {?} {?} 2.90200 0.09100 0.23000 ++ {0.0} {?} -27.3839893341 -0.1005 0 {?} 0 204 {7.HG11} 1.51500 0.03400 0.05700 ++ {0.0} {?} {5.HD2} 3.15400 0.05400 0.10200 ++ {0.0} {?} 148.33454895 7.9485 0 {?} 0 205 {?} 1.76200 0.01200 0.01200 ++ {0.0} {?} {?} 2.70500 0.04600 0.06000 ++ {0.0} {?} -4.05194854736 -0.6011 -1 {?} 0 206 {19.HB1} 1.90600 0.01500 0.03600 ++ {0.0} {?} {19.HD2} 3.05400 0.02700 0.09800 ++ {0.0} {?} 24.8047237396 5.4960 0 {?} 0 207 {1.HG2} 1.90800 0.04400 0.11000 ++ {0.0} {?} {1.HD2} 3.21500 0.03400 0.12400 ++ {0.0} {?} 263.101837158 18.9336 0 {?} 0 208 {5.HG2} 1.68500 0.03300 0.10200 ++ {0.0} {?} {5.HD2} 3.22300 0.02700 0.10500 ++ {0.0} {?} 271.431610107 26.4218 0 {?} 0 209 {19.HG2} 1.62400 0.02400 0.07300 ++ {0.0} {?} {19.HD2} 3.04500 0.02900 0.11000 ++ {0.0} {?} 72.9097824097 8.5523 0 {?} 0 210 {?} 1.55800 0.03600 0.03600 ++ {0.0} {?} {?} 2.27200 0.08200 0.15900 ++ {0.0} {?} 6.38481235504 0.6719 -1 {?} 0 211 {?} 1.59100 0.04100 0.04100 ++ {0.0} {?} {?} 2.28100 0.08400 0.16300 ++ {0.0} {?} 7.6157040596 2.0096 0 {?} 0 212 {7.HB} 2.08600 0.02000 0.11200 ++ {0.0} {?} {7.HG21} 0.91400 0.06200 0.10600 ++ {0.0} {?} 371.45690918 27.7183 0 {?} 0 213 {11.HB2} 1.93000 0.02600 0.06700 ++ {0.0} {?} {11.HD21} 0.86000 0.03800 0.12500 ++ {0.0} {?} 325.006164551 37.0542 0 {?} 0 214 {17.HG11} 1.46400 0.04100 0.08000 ++ {0.0} {?} {17.HG21} 0.86600 0.03200 0.08400 ++ {0.0} {?} 234.288421631 17.5852 0 {?} 0 215 {11.HD13} 0.88300 0.02800 0.03800 ++ {0.0} {?} {8.HB1} 2.28300 0.07600 0.11000 ++ {0.0} {?} 72.1978683472 4.8021 0 {?} 0 216 {7.HG22} 0.91600 0.02700 0.05100 ++ {0.0} {?} {7.HB} 2.08800 0.02900 0.09000 ++ {0.0} {?} 315.609130859 43.1485 0 {?} 0 217 {11.HD21} 0.88000 0.01800 0.04700 ++ {0.0} {?} {11.HB2} 1.96900 0.05600 0.12300 ++ {0.0} {?} 740.760498047 73.3158 0 {?} 0 218 {?} 0.61000 0.01900 0.02700 ++ {0.0} {?} {?} 2.90100 0.09300 0.18800 ++ {0.0} {?} -4.23929834366 -0.0185 0 {?} 0 219 {7.HG21} 0.91800 0.01300 0.03000 ++ {0.0} {?} {8.HB1} 2.28500 0.10700 0.12300 ++ {0.0} {?} 91.4621582031 5.9869 0 {?} 0 220 {6.HG2} 1.91200 0.01100 0.03000 ++ {0.0} {?} {7.HG12} 1.06500 0.03800 0.08900 ++ {0.0} {?} 19.0364379883 6.8182 0 {?} 0 221 {?} 1.77100 0.01500 0.03800 ++ {0.0} {?} {?} 0.62200 0.04100 0.07900 ++ {0.0} {?} 42.3293113708 9.7566 0 {?} 0 222 {?} 1.68600 0.01200 0.05100 ++ {0.0} {?} {?} 0.64000 0.09400 0.09900 ++ {0.0} {?} 1.51204121113 -0.3296 0 {?} 0 223 {9.HG2} 2.52200 0.06700 0.06700 ++ {0.0} {?} {9.HN} 8.08000 0.17400 0.13300 ++ {0.0} {?} 698.19720459 21.2745 0 {?} 0 224 {7.HB} 2.10000 0.03600 0.02800 ++ {0.0} {?} {7.HN} 8.27000 0.09200 0.07700 ++ {0.0} {?} 176.920730591 9.5596 0 {?} 0 225 {?} 2.03900 0.04300 0.04500 ++ {0.0} {?} {?} 7.22800 0.06200 0.06600 ++ {0.0} {?} 68.5389938354 2.2918 0 {?} 0 226 {1.HB1} 1.89500 0.08700 0.17600 ++ {0.0} {?} {3.HD1} 7.13700 0.11300 0.22800 ++ {0.0} {?} 445.627258301 4.8539 0 {?} 0 227 {5.HB2} 1.78400 0.04800 0.05300 ++ {0.0} {?} {6.HE21} 7.10400 0.03000 0.06600 ++ {0.0} {?} 55.3293457031 4.2037 0 {?} 0 228 {5.HG2} 1.67300 0.03000 0.06300 ++ {0.0} {?} {6.HE21} 7.10400 0.03300 0.08100 ++ {0.0} {?} 56.2549362183 5.6613 0 {?} 0 229 {4.HE1} 1.63600 0.04600 0.05705 ++ {0.0} {?} {3.HE1} 6.83400 0.08400 0.06788 ++ {0.0} {?} 175.21836853 5.2830 0 {?} 0 230 {7.HG11} 1.50500 0.04000 0.05300 ++ {0.0} {?} {6.HE21} 7.10800 0.06200 0.07700 ++ {0.0} {?} 56.8723754883 3.4722 0 {?} 0 231 {19.HG2} 1.63400 0.02200 0.02200 ++ {0.0} {?} {19.HN} 7.72100 0.09900 0.09400 ++ {0.0} {?} 63.9820556641 4.1404 0 {?} 0 232 {20.HG2} 1.67300 0.03900 0.05700 ++ {0.0} {?} {20.HN} 7.84100 0.05100 0.09000 ++ {0.0} {?} 101.06879425 5.2111 0 {?} 0 233 {10.HB1} 1.57900 0.02300 0.03800 ++ {0.0} {?} {10.HN} 8.16700 0.06400 0.12100 ++ {0.0} {?} 253.588500977 17.5469 0 {?} 0 234 {20.HB1} 1.80200 0.03100 0.04200 ++ {0.0} {?} {20.HN} 7.84300 0.06700 0.10600 ++ {0.0} {?} 63.1096763611 3.5792 0 {?} 0 235 {20.HB2} 1.91000 0.03400 0.04400 ++ {0.0} {?} {20.HN} 7.82400 0.04300 0.12400 ++ {0.0} {?} 63.0459403992 7.0648 0 {?} 0 236 {17.HB} 1.91900 0.06300 0.06300 ++ {0.0} {?} {17.HN} 8.00500 0.03900 0.09800 ++ {0.0} {?} 97.8133468628 7.1295 0 {?} 0 237 {1.HG2} 1.86700 0.01900 0.01900 ++ {0.0} {?} {1.HT1} 8.64200 0.08500 0.09000 ++ {0.0} {?} 74.0414810181 6.8675 0 {?} 0 238 {1.HB2} 2.04000 0.02300 0.03300 ++ {0.0} {?} {1.HT1} 8.64400 0.06600 0.10200 ++ {0.0} {?} 98.1504211426 7.1914 0 {?} 0 239 {1.HB1} 1.90500 0.05100 0.05100 ++ {0.0} {?} {1.HT1} 8.64000 0.10000 0.10700 ++ {0.0} {?} 115.373382568 4.6414 0 {?} 0 240 {17.HD11} 0.85600 0.04100 0.04600 ++ {0.0} {?} {17.HN} 7.98600 0.09900 0.10900 ++ {0.0} {?} 172.157989502 8.7950 0 {?} 0 241 {11.HD11} 0.91600 0.03800 0.04000 ++ {0.0} {?} {11.HN} 8.26900 0.08200 0.08700 ++ {0.0} {?} 428.46673584 21.0763 0 {?} 0 242 {?} 2.90600 0.02000 0.06900 ++ {0.0} {?} {?} 0.62300 0.06800 0.43800 ++ {0.0} {?} -21.4401531219 -1.6315 -1 {?} 0 243 {?} 3.27200 0.03300 0.05500 ++ {0.0} {?} {?} 7.20100 0.05100 0.10000 ++ {0.0} {?} 179.736602783 9.9712 0 {?} 0 244 {13.HB1} 3.10400 0.06800 0.06800 ++ {0.0} {?} {13.HD2} 7.11800 0.04300 0.11100 ++ {0.0} {?} 146.325271606 4.3759 0 {?} 0 245 {5.HD2} 3.20800 0.03500 0.03500 ++ {0.0} {?} {5.HN} 7.83900 0.10900 0.09300 ++ {0.0} {?} 1.53030836582 0.4932 0 {?} 0 246 {5.HD2} 3.18700 0.00800 0.00800 ++ {0.0} {?} {5.HN} 7.82400 0.06600 0.05100 ++ {0.0} {?} 7.75020599365 1.2290 0 {?} 0 247 {13.HB1} 3.14300 0.05900 0.07300 ++ {0.0} {?} {13.HN} 8.08700 0.13100 0.16100 ++ {0.0} {?} 713.11315918 16.0784 0 {?} 0 248 {3.HB1} 3.01232 0.04900 0.04900 ++ {0.0} {?} {3.HN} 8.06600 0.29400 0.09300 ++ {0.0} {?} 193.533218384 7.0875 0 {?} 0 249 {12.HD2} 3.22200 0.02600 0.02600 ++ {0.0} {?} {12.HN} 8.13900 0.89700 0.25000 ++ {0.0} {?} 289.207427979 5.4453 0 {?} 0 250 {?} 3.35700 0.01600 0.01600 ++ {0.0} {?} {?} 9.13100 0.14100 0.06400 ++ {0.0} {?} 13.8322887421 1.4598 -1 {?} 0 251 {18.HA} 4.36500 0.02600 0.02800 ++ {0.0} {?} {18.HN} 7.80900 0.06800 0.07600 ++ {0.0} {?} 27.8723831177 2.1658 0 {?} 0 252 {19.HA} 4.26869 0.02100 0.03006 ++ {0.0} {?} {19.HN} 7.72226 0.08400 0.05732 ++ {0.0} {?} 26.6777114868 1.8124 0 {?} 0 253 {4.HA} 4.29300 0.02300 0.01900 ++ {0.0} {?} {4.HN} 8.01500 0.07200 0.05400 ++ {0.0} {?} 24.330373764 2.5595 0 {?} 0 254 {20.HA} 4.20700 0.02400 0.03900 ++ {0.0} {?} {20.HN} 7.83700 0.04900 0.11400 ++ {0.0} {?} 44.1114196777 3.0008 0 {?} 0 255 {9.HA} 4.19419 0.04200 0.05500 ++ {0.0} {?} {9.HN} 8.08065 0.07400 0.08900 ++ {0.0} {?} 214.643035889 10.1060 0 {?} 0 256 {15.HA} 4.21100 0.02600 0.02600 ++ {0.0} {?} {15.HN} 8.42700 0.14400 0.09700 ++ {0.0} {?} 41.1090965271 2.9920 0 {?} 0 257 {1.HA} 4.37700 0.00900 0.01100 ++ {0.0} {?} {1.HT2} 8.64400 0.02200 0.02500 ++ {0.0} {?} 3.00766134262 1.1014 0 {?} 0 258 {11.HA} 4.14500 0.01500 0.02800 ++ {0.0} {?} {11.HN} 8.29100 0.08900 0.08500 ++ {0.0} {?} 46.4696426392 4.1043 0 {?} 0 259 {6.HA} 4.09200 0.03400 0.05300 ++ {0.0} {?} {6.HN} 8.22300 0.10000 0.16800 ++ {0.0} {?} 188.84375 7.1281 0 {?} 0 260 {17.HA} 4.05600 0.02400 0.04000 ++ {0.0} {?} {17.HN} 7.98300 0.04500 0.09800 ++ {0.0} {?} 55.9408493042 6.8898 0 {?} 0 261 {2.HA} 4.02918 0.03200 0.06900 ++ {0.0} {?} {2.HN} 8.08100 0.10300 0.19183 ++ {0.0} {?} 589.555480957 19.2498 0 {?} 0 262 {12.HA} 4.03300 0.03200 0.06900 ++ {0.0} {?} {12.HN} 8.08100 0.10300 0.15803 ++ {0.0} {?} 570.868408203 18.6964 0 {?} 0 263 {18.HB1} 3.95900 0.04600 0.04600 ++ {0.0} {?} {18.HN} 7.81300 0.09100 0.07600 ++ {0.0} {?} 123.795722961 4.5502 0 {?} 0 264 {18.HB2} 3.86500 0.04900 0.04900 ++ {0.0} {?} {18.HN} 7.80900 0.09500 0.08900 ++ {0.0} {?} 110.310302734 3.9008 0 {?} 0 265 {8.HA} 3.84800 0.02900 0.05000 ++ {0.0} {?} {8.HN} 8.41700 0.05900 0.10600 ++ {0.0} {?} 177.212554932 12.0062 0 {?} 0 266 {2.HA} 3.99300 0.02700 0.02500 ++ {0.0} {?} {3.HD1} 7.20600 0.08000 0.07300 ++ {0.0} {?} 24.6849040985 1.6333 0 {?} 0 267 {?} 3.72000 0.02700 0.03900 ++ {0.0} {?} {?} 7.97100 0.07800 0.10000 ++ {0.0} {?} -12.0782270432 -0.9666 -1 {?} 0 268 {7.HA} 3.70000 0.04400 0.05500 ++ {0.0} {?} {7.HN} 8.27200 0.07400 0.10200 ++ {0.0} {?} 236.835784912 10.0487 0 {?} 0 269 {14.HA2} 3.79000 0.05400 0.06300 ++ {0.0} {?} {14.HN} 8.56100 0.13700 0.08900 ++ {0.0} {?} 374.56350708 10.7678 0 {?} 0 270 {13.HB2} 3.23600 0.00700 0.05100 ++ {0.0} {?} {13.HD2} 7.14300 0.10100 0.24700 ++ {0.0} {?} 187.666030884 26.8680 0 {?} 0 271 {13.HB1} 3.14800 0.07300 0.07300 ++ {0.0} {?} {13.HD2} 7.12000 0.06300 0.16200 ++ {0.0} {?} 898.215393066 23.4747 0 {?} 0 272 {15.HB2} 3.04100 0.07000 0.11500 ++ {0.0} {?} {15.HE1} 6.80800 0.07900 0.15300 ++ {0.0} {?} 470.292663574 10.3122 0 {?} 0 273 {1.HT1} 8.64800 0.02800 0.04700 ++ {0.0} {?} {2.HA} 4.00000 0.04300 0.08600 ++ {0.0} {?} 121.695671082 17.0796 -1 {?} 0 274 {?} 8.65500 0.04200 0.03900 ++ {0.0} {?} {?} 3.77300 0.04200 0.06000 ++ {0.0} {?} 30.2890071869 3.3613 -1 {?} 0 275 {8.HN} 8.41200 0.01600 0.02400 ++ {0.0} {?} {7.HA} 3.70500 0.11400 0.05500 ++ {0.0} {?} 19.6560649872 2.4228 0 {?} 0 276 {15.HN} 8.43200 0.03600 0.03100 ++ {0.0} {?} {12.HA} 4.03300 0.07400 0.06100 ++ {0.0} {?} 48.0544586182 3.0894 0 {?} 0 277 {?} 8.36000 0.03900 0.04000 ++ {0.0} {?} {?} 3.95200 0.07000 0.05600 ++ {0.0} {?} -18.9198951721 -0.8759 -1 {?} 0 278 {8.HN} 8.41200 0.03500 0.03500 ++ {0.0} {?} {6.HA} 4.10400 0.04400 0.06200 ++ {0.0} {?} 26.6127872467 3.5777 0 {?} 0 279 {15.HN} 8.41500 0.01300 0.03400 ++ {0.0} {?} {16.HA} 4.28400 0.04900 0.04500 ++ {0.0} {?} 13.8782463074 2.6259 0 {?} 0 280 {?} 8.24900 0.04400 0.03100 ++ {0.0} {?} {?} 3.45200 0.04000 0.03400 ++ {0.0} {?} -4.18100309372 -0.6591 -1 {?} 0 281 {11.HN} 8.26600 0.03700 0.02400 ++ {0.0} {?} {8.HA} 3.84200 0.05500 0.04600 ++ {0.0} {?} 29.6353549957 2.7331 0 {?} 0 282 {10.HN} 8.15800 0.01400 0.02000 ++ {0.0} {?} {7.HA} 3.70200 0.04500 0.03300 ++ {0.0} {?} 12.9580717087 2.9049 0 {?} 0 283 {?} 8.04300 0.01300 0.01800 ++ {0.0} {?} {?} 3.74400 0.17900 0.08900 ++ {0.0} {?} -2.89154458046 -0.6211 -1 {?} 0 284 {11.HN} 8.28300 0.00700 0.01100 ++ {0.0} {?} {12.HA} 4.03600 0.05700 0.02100 ++ {0.0} {?} 6.530377388 2.2376 -1 {?} 0 285 {7.HN} 8.28100 0.00800 0.02800 ++ {0.0} {?} {4.HA} 4.28700 0.06600 0.07300 ++ {0.0} {?} 24.214597702 3.7404 0 {?} 0 286 {?} 8.26300 0.01900 0.03700 ++ {0.0} {?} {?} 4.29200 0.04100 0.06900 ++ {0.0} {?} 25.702419281 4.1448 -1 {?} 0 287 {6.HN} 8.20600 0.02600 0.02500 ++ {0.0} {?} {4.HA} 4.29500 0.05200 0.06200 ++ {0.0} {?} 39.0365104675 3.5925 0 {?} 0 288 {10.HN} 8.15000 0.03100 0.02900 ++ {0.0} {?} {13.HA} 4.58300 0.05500 0.06700 ++ {0.0} {?} 11.0377111435 0.7222 -1 {?} 0 289 {6.HN} 8.20500 0.02500 0.04700 ++ {0.0} {?} {5.HA} 4.19700 0.04800 0.06800 ++ {0.0} {?} 57.2545013428 5.3913 0 {?} 0 290 {4.HN} 8.02600 0.01900 0.02700 ++ {0.0} {?} {1.HA} 4.37900 0.05500 0.05300 ++ {0.0} {?} 32.4575004578 3.5124 0 {?} 0 291 {3.HN} 8.06300 0.04100 0.04300 ++ {0.0} {?} {4.HA} 4.27900 0.04700 0.05200 ++ {0.0} {?} 49.4521827698 3.8074 0 {?} 0 292 {4.HN} 8.02400 0.03200 0.05100 ++ {0.0} {?} {3.HA} 4.65900 0.06900 0.08300 ++ {0.0} {?} 77.1638946533 4.6126 0 {?} 0 293 {19.HN} 7.71800 0.02700 0.04000 ++ {0.0} {?} {18.HA} 4.37100 0.04500 0.08200 ++ {0.0} {?} 49.5493202209 6.9876 0 {?} 0 294 {11.HN} 8.26900 0.02300 0.04900 ++ {0.0} {?} {10.HA} 4.19000 0.03900 0.07100 ++ {0.0} {?} 59.895275116 7.6818 0 {?} 0 295 {20.HN} 7.85300 0.01400 0.02100 ++ {0.0} {?} {18.HA} 4.37600 0.10700 0.05700 ++ {0.0} {?} 22.3350791931 2.4948 0 {?} 0 296 {15.HN} 8.42600 0.03400 0.03200 ++ {0.0} {?} {14.HA2} 3.80600 0.05200 0.10100 ++ {0.0} {?} 98.4157028198 5.7519 0 {?} 0 297 {12.HN} 8.12000 0.05200 0.06000 ++ {0.0} {?} {11.HA} 4.14500 0.06100 0.07100 ++ {0.0} {?} 155.310073853 4.1379 0 {?} 0 298 {9.HN} 8.08100 0.05200 0.05500 ++ {0.0} {?} {9.HA} 4.19700 0.06100 0.08300 ++ {0.0} {?} 341.159057617 15.1268 0 {?} 0 299 {18.HN} 7.81000 0.03700 0.04400 ++ {0.0} {?} {18.HB1} 3.98900 0.08800 0.07600 ++ {0.0} {?} 151.649139404 7.2562 0 {?} 0 300 {18.HN} 7.80900 0.03700 0.04900 ++ {0.0} {?} {17.HA} 4.03700 0.08800 0.10800 ++ {0.0} {?} 214.243515015 9.9661 0 {?} 0 301 {14.HN} 8.55000 0.01900 0.03200 ++ {0.0} {?} {11.HA} 4.16500 0.03400 0.06100 ++ {0.0} {?} 11.7311553955 1.7349 0 {?} 0 302 {14.HN} 8.56000 0.01500 0.03100 ++ {0.0} {?} {13.HA} 4.35500 0.04700 0.06900 ++ {0.0} {?} 11.9304695129 2.1456 0 {?} 0 303 {1.HT1} 8.64900 0.03400 0.05200 ++ {0.0} {?} {2.HN} 8.07400 0.05900 0.10900 ++ {0.0} {?} 107.419380188 7.4422 0 {?} 0 304 {2.HN} 8.07100 0.02900 0.04100 ++ {0.0} {?} {1.HT1} 8.64200 0.08500 0.11000 ++ {0.0} {?} 94.4619140625 5.9656 0 {?} 0 305 {14.HN} 8.56300 0.02500 0.03500 ++ {0.0} {?} {13.HN} 8.10200 0.08700 0.09200 ++ {0.0} {?} 53.6048545837 3.2437 0 {?} 0 306 {13.HN} 8.09200 0.06000 0.06800 ++ {0.0} {?} {14.HN} 8.55500 0.11000 0.15600 ++ {0.0} {?} 170.89465332 3.4091 0 {?} 0 307 {14.HN} 8.54900 0.02600 0.03800 ++ {0.0} {?} {15.HN} 8.42500 0.03700 0.02800 ++ {0.0} {?} 17.9283027649 2.3295 0 {?} 0 308 {15.HN} 8.42800 0.02500 0.03400 ++ {0.0} {?} {14.HN} 8.56200 0.05800 0.11700 ++ {0.0} {?} 56.5437393188 4.4729 0 {?} 0 309 {8.HN} 8.41400 0.02900 0.05900 ++ {0.0} {?} {7.HN} 8.26900 0.05400 0.15600 ++ {0.0} {?} 95.4820251465 7.2807 0 {?} 0 310 {7.HN} 8.27300 0.03500 0.08600 ++ {0.0} {?} {8.HN} 8.41300 0.05900 0.10800 ++ {0.0} {?} 113.716209412 7.0031 0 {?} 0 311 {8.HN} 8.41600 0.03200 0.06100 ++ {0.0} {?} {9.HN} 8.07900 0.06200 0.12200 ++ {0.0} {?} 142.076019287 8.7164 0 {?} 0 312 {9.HN} 8.07600 0.04400 0.07400 ++ {0.0} {?} {8.HN} 8.41800 0.06700 0.15600 ++ {0.0} {?} 194.174758911 9.0804 0 {?} 0 313 {11.HN} 8.27300 0.04800 0.04700 ++ {0.0} {?} {12.HN} 8.09700 0.11300 0.16100 ++ {0.0} {?} 384.173339844 9.9247 0 {?} 0 314 {12.HN} 8.07700 0.02500 0.05500 ++ {0.0} {?} {11.HN} 8.26100 0.11000 0.15700 ++ {0.0} {?} 309.727294922 12.8901 0 {?} 0 315 {10.HN} 8.15500 0.04400 0.04416 ++ {0.0} {?} {11.HN} 8.26900 0.06600 0.09400 ++ {0.0} {?} 247.379394531 8.9077 0 {?} 0 316 {11.HN} 8.27200 0.04100 0.06000 ++ {0.0} {?} {10.HN} 8.14400 0.11000 0.12100 ++ {0.0} {?} 407.692901611 9.2837 0 {?} 0 317 {10.HN} 8.11700 0.02500 0.03500 ++ {0.0} {?} {11.HN} 8.25400 0.11000 0.15600 ++ {0.0} {?} 189.450531006 7.1925 0 {?} 0 318 {6.HN} 8.20800 0.04100 0.05900 ++ {0.0} {?} {4.HN} 8.07500 0.10500 0.09500 ++ {0.0} {?} 302.216217041 10.2711 0 {?} 0 319 {18.HN} 7.81400 0.01600 0.02300 ++ {0.0} {?} {17.HN} 7.99400 0.06600 0.09400 ++ {0.0} {?} 45.2910232544 3.9081 0 {?} 0 320 {17.HN} 7.99100 0.01600 0.02300 ++ {0.0} {?} {18.HN} 7.81000 0.06600 0.06500 ++ {0.0} {?} 33.0694313049 3.0144 0 {?} 0 321 {20.HN} 7.84800 0.03600 0.05200 ++ {0.0} {?} {19.HN} 7.73400 0.05300 0.09900 ++ {0.0} {?} 97.7340316772 4.0655 0 {?} 0 322 {19.HN} 7.71800 0.03600 0.06300 ++ {0.0} {?} {20.HN} 7.81800 0.06600 0.09400 ++ {0.0} {?} 143.847625732 6.8553 0 {?} 0 323 {16.HN} 7.65900 0.02500 0.03500 ++ {0.0} {?} {18.HN} 7.79700 0.05800 0.05900 ++ {0.0} {?} 46.2166061401 3.6805 0 {?} 0 324 {18.HN} 7.80400 0.03600 0.04800 ++ {0.0} {?} {16.HN} 7.69800 0.05000 0.14600 ++ {0.0} {?} 75.6582260132 3.9339 0 {?} 0 325 {20.HN} 7.85300 0.03600 0.05100 ++ {0.0} {?} {19.HA} 4.28800 0.04300 0.08500 ++ {0.0} {?} 103.038841248 11.7015 0 {?} 0 326 {2.HN} 8.07300 0.05000 0.04700 ++ {0.0} {?} {1.HA} 4.38000 0.06000 0.11400 ++ {0.0} {?} 325.994995117 16.8077 0 {?} 0 327 {?} 8.26900 0.05000 0.10300 ++ {0.0} {?} {?} 4.44700 0.06000 0.11400 ++ {0.0} {?} 6.61036586761 0.1809 -1 {?} 0 328 {?} 8.50400 0.03200 0.03300 ++ {0.0} {?} {?} 4.17400 0.06600 0.07000 ++ {0.0} {?} 39.442035675 2.2777 -1 {?} 0 329 {?} 8.65200 0.02100 0.01600 ++ {0.0} {?} {?} 4.69600 0.03500 0.03500 ++ {0.0} {?} 6.87521886826 1.4498 -1 {?} 0 330 {?} 8.58200 0.03600 0.03600 ++ {0.0} {?} {?} 3.79200 0.07600 0.07600 ++ {0.0} {?} 142.301483154 5.1268 -1 {?} 0 331 {1.HT1} 8.66800 0.03000 0.05200 ++ {0.0} {?} {1.HA} 4.39400 0.05300 0.10800 ++ {0.0} {?} 69.6889877319 3.2406 -1 {?} 0 332 {?} 8.50500 0.02900 0.03300 ++ {0.0} {?} {?} 3.76800 0.04700 0.05700 ++ {0.0} {?} 26.2972164154 2.6721 -1 {?} 0 333 {?} 8.50100 0.01700 0.01700 ++ {0.0} {?} {?} 4.00500 0.04400 0.04400 ++ {0.0} {?} 6.61695432663 1.5078 -1 {?} 0 334 {?} 8.28300 0.02000 0.03600 ++ {0.0} {?} {?} 4.03600 0.05700 0.06000 ++ {0.0} {?} 22.0643253326 2.2376 -1 {?} 0 335 {6.HN} 8.21400 0.01500 0.02000 ++ {0.0} {?} {2.HA} 4.01100 0.06900 0.04700 ++ {0.0} {?} 10.5516624451 1.5638 0 {?} 0 336 {7.HN} 8.26300 0.01900 0.01900 ++ {0.0} {?} {4.HA} 4.29200 0.07200 0.07200 ++ {0.0} {?} 35.83020401 4.1448 0 {?} 0 337 {?} 8.23200 0.02800 0.02800 ++ {0.0} {?} {?} 4.15000 0.06800 0.06800 ++ {0.0} {?} 44.8746566772 1.1194 0 {?} 0 338 {10.HN} 8.16200 0.01300 0.01300 ++ {0.0} {?} {8.HA} 3.84100 0.05900 0.05900 ++ {0.0} {?} 9.69851779938 1.5074 0 {?} 0 339 {?} 8.17500 0.01800 0.01800 ++ {0.0} {?} {?} 3.72500 0.05100 0.05100 ++ {0.0} {?} 16.111700058 1.6622 -1 {?} 0 340 {17.HN} 7.98400 0.01200 0.01200 ++ {0.0} {?} {15.HA} 4.19000 0.01700 0.03600 ++ {0.0} {?} 5.10829257965 1.4541 0 {?} 0 341 {12.HN} 8.10000 0.01200 0.02483 ++ {0.0} {?} {8.HA} 3.84300 0.06300 0.05668 ++ {0.0} {?} 15.2229089737 2.3230 0 {?} 0 342 {9.HN} 8.08800 0.01800 0.02000 ++ {0.0} {?} {8.HA} 3.84100 0.03100 0.03400 ++ {0.0} {?} 11.402258873 2.2993 0 {?} 0 343 {6.HN} 8.19900 0.00600 0.00600 ++ {0.0} {?} {3.HA} 4.64200 0.04600 0.04600 ++ {0.0} {?} 3.84178781509 1.3109 0 {?} 0 344 {9.HN} 8.04100 0.03300 0.03300 ++ {0.0} {?} {8.HA} 3.82400 0.09800 0.09800 ++ {0.0} {?} -9.19371509552 -0.6315 -1 {?} 0 345 {16.HN} 7.65400 0.01200 0.01200 ++ {0.0} {?} {18.HB1} 3.98600 0.05200 0.05200 ++ {0.0} {?} 10.1783628464 1.5860 0 {?} 0 346 {19.HN} 7.71600 0.01500 0.01400 ++ {0.0} {?} {18.HB1} 3.98300 0.06700 0.10400 ++ {0.0} {?} 15.8023681641 1.7328 0 {?} 0 347 {19.HN} 7.72900 0.01400 0.02000 ++ {0.0} {?} {18.HB1} 3.96300 0.04400 0.03600 ++ {0.0} {?} 8.09610271454 1.7252 0 {?} 0 348 {?} 7.62500 0.01400 0.01400 ++ {0.0} {?} {?} 3.63100 0.04500 0.03700 ++ {0.0} {?} 6.3284945488 1.6384 -1 {?} 0 349 {1.HT1} 8.64600 0.03600 0.04200 ++ {0.0} {?} {1.HD2} 3.22600 0.09700 0.15600 ++ {0.0} {?} 71.3354110718 2.9720 0 {?} 0 350 {1.HT1} 8.65000 0.02000 0.02000 ++ {0.0} {?} {1.HD1} 3.13900 0.09000 0.07800 ++ {0.0} {?} 24.3479251862 1.6877 0 {?} 0 351 {14.HN} 8.56600 0.03200 0.03700 ++ {0.0} {?} {13.HB1} 3.13900 0.05600 0.06800 ++ {0.0} {?} 44.1688041687 2.5575 -1 {?} 0 352 {14.HN} 8.56100 0.03000 0.03200 ++ {0.0} {?} {13.HB2} 3.24200 0.06600 0.15600 ++ {0.0} {?} 40.3281059265 2.5745 0 {?} 0 353 {?} 8.45900 0.01700 0.03100 ++ {0.0} {?} {?} 3.96200 0.03300 0.13800 ++ {0.0} {?} -0.7024076581 -0.0173 -1 {?} 0 354 {?} 8.50600 0.03200 0.03300 ++ {0.0} {?} {?} 3.77100 0.06600 0.07000 ++ {0.0} {?} 48.4725952148 2.5445 -1 {?} 0 355 {7.HN} 8.24000 0.00300 0.01900 ++ {0.0} {?} {6.HA} 4.09400 0.04500 0.05900 ++ {0.0} {?} 4.61422204971 4.6142 0 {?} 0 356 {?} 7.72000 0.01900 0.01600 ++ {0.0} {?} {?} 3.74900 0.04800 0.03600 ++ {0.0} {?} -2.4538872242 -0.5546 -1 {?} 0 357 {5.HN} 7.80100 0.04000 0.05100 ++ {0.0} {?} {4.HA} 4.28500 0.09400 0.09880 ++ {0.0} {?} 169.815261841 6.4758 0 {?} 0 358 {20.HN} 7.85800 0.00400 0.00400 ++ {0.0} {?} {18.HB2} 3.88200 0.03700 0.00600 ++ {0.0} {?} 1.14921522141 1.1492 0 {?} 0 359 {?} 7.71900 0.01600 0.02900 ++ {0.0} {?} {?} 4.41000 0.02100 0.07100 ++ {0.0} {?} 9.99388313293 2.3357 -1 {?} 0 360 {3.HD1} 7.17800 0.05800 0.05000 ++ {0.0} {?} {3.HB2} 3.14400 0.08700 0.06900 ++ {0.0} {?} 568.418395996 22.0728 0 {?} 0 361 {3.HD1} 7.19000 0.02600 0.02500 ++ {0.0} {?} {2.HA} 4.02100 0.03400 0.03200 ++ {0.0} {?} 13.3821020126 2.4003 0 {?} 0 362 {3.HD1} 7.17500 0.03400 0.07000 ++ {0.0} {?} {3.HA} 4.66400 0.07000 0.14600 ++ {0.0} {?} 406.513702393 22.8354 0 {?} 0 363 {3.HD1} 7.18200 0.03300 0.05100 ++ {0.0} {?} {1.HA} 4.38000 0.06800 0.08900 ++ {0.0} {?} 68.411781311 3.8706 0 {?} 0 364 {13.HD2} 7.12100 0.02900 0.05200 ++ {0.0} {?} {13.HA} 4.35600 0.05100 0.12300 ++ {0.0} {?} 295.02230835 21.5864 0 {?} 0 365 {3.HD1} 7.17600 0.02300 0.02300 ++ {0.0} {?} {4.HA} 4.28900 0.03500 0.02800 ++ {0.0} {?} 12.3715877533 2.1025 0 {?} 0 366 {13.HD2} 7.11700 0.02700 0.05400 ++ {0.0} {?} {15.HA} 4.19100 0.06000 0.15600 ++ {0.0} {?} 118.271064758 8.9977 0 {?} 0 367 {13.HD2} 7.11400 0.02900 0.05400 ++ {0.0} {?} {12.HA} 4.02800 0.04800 0.13900 ++ {0.0} {?} 112.455787659 9.9533 0 {?} 0 368 {13.HD2} 7.11700 0.01200 0.01200 ++ {0.0} {?} {14.HA1} 3.78300 0.07000 0.10000 ++ {0.0} {?} 29.8233718872 4.2927 0 {?} 0 369 {13.HD2} 7.12800 0.02000 0.03500 ++ {0.0} {?} {14.HA1} 3.78400 0.06200 0.10000 ++ {0.0} {?} 49.8797302246 4.7193 0 {?} 0 370 {15.HD1} 7.04400 0.02000 0.02400 ++ {0.0} {?} {14.HA1} 3.79100 0.04800 0.03500 ++ {0.0} {?} 16.6115112305 1.9880 0 {?} 0 371 {15.HD1} 7.02400 0.01200 0.01200 ++ {0.0} {?} {14.HA1} 3.77900 0.06900 0.06600 ++ {0.0} {?} 16.8933029175 2.3791 0 {?} 0 372 {15.HD1} 7.03000 0.03200 0.06100 ++ {0.0} {?} {12.HA} 4.02200 0.04400 0.12000 ++ {0.0} {?} 80.7967681885 10.3570 0 {?} 0 373 {15.HD1} 7.02900 0.03400 0.06900 ++ {0.0} {?} {15.HA} 4.18800 0.06200 0.12300 ++ {0.0} {?} 323.951873779 18.2789 0 {?} 0 374 {3.HD1} 7.02300 0.02100 0.01800 ++ {0.0} {?} {1.HA} 4.34900 0.05500 0.05500 ++ {0.0} {?} 18.3570556641 2.0906 0 {?} 0 375 {3.HE1} 6.82900 0.02700 0.04200 ++ {0.0} {?} {3.HA} 4.66600 0.07100 0.12200 ++ {0.0} {?} 125.087265015 8.5404 0 {?} 0 376 {13.HE1} 6.80500 0.02800 0.05000 ++ {0.0} {?} {13.HA} 4.35200 0.05900 0.12900 ++ {0.0} {?} 108.043701172 7.3160 0 {?} 0 377 {3.HE1} 6.83200 0.03000 0.05100 ++ {0.0} {?} {4.HA} 4.28400 0.09400 0.15600 ++ {0.0} {?} 80.1825637817 4.3796 0 {?} 0 378 {15.HE1} 6.78500 0.03000 0.04500 ++ {0.0} {?} {15.HA} 4.18600 0.06100 0.17400 ++ {0.0} {?} 151.663238525 9.6815 0 {?} 0 379 {2.HE21} 6.79300 0.04500 0.05800 ++ {0.0} {?} {2.HA} 4.02400 0.04800 0.09900 ++ {0.0} {?} 110.034759521 6.4556 0 {?} 0 380 {3.HE1} 6.82500 0.01200 0.01200 ++ {0.0} {?} {2.HA} 4.02700 0.04400 0.05700 ++ {0.0} {?} 14.0230426788 3.5779 0 {?} 0 381 {13.HE1} 6.80800 0.02000 0.01800 ++ {0.0} {?} {14.HA1} 3.78200 0.05300 0.04200 ++ {0.0} {?} 15.6410446167 2.0778 0 {?} 0 382 {15.HD1} 7.03000 0.03000 0.06200 ++ {0.0} {?} {15.HB1} 3.16000 0.05100 0.15500 ++ {0.0} {?} 339.734436035 21.7210 0 {?} 0 383 {15.HD1} 7.02900 0.03700 0.07800 ++ {0.0} {?} {15.HB2} 3.06300 0.09200 0.09400 ++ {0.0} {?} 534.215820312 25.5763 0 {?} 0 384 {3.HD1} 7.17200 0.03000 0.06300 ++ {0.0} {?} {3.HB1} 3.01000 0.06500 0.15000 ++ {0.0} {?} 362.191253662 21.7297 0 {?} 0 385 {9.HE22} 7.32100 0.02800 0.02400 ++ {0.0} {?} {9.HA} 4.19100 0.04300 0.03400 ++ {0.0} {?} 12.9957304001 2.0966 0 {?} 0 386 {9.HE22} 7.32800 0.02700 0.05100 ++ {0.0} {?} {9.HG2} 2.52200 0.04500 0.10900 ++ {0.0} {?} 69.7095489502 9.9864 0 {?} 0 387 {2.HE22} 7.32400 0.02200 0.03600 ++ {0.0} {?} {1.HB2} 2.04400 0.05600 0.11400 ++ {0.0} {?} 99.7986602783 9.1698 0 {?} 0 388 {2.HE22} 7.32400 0.02700 0.03000 ++ {0.0} {?} {1.HB1} 1.88300 0.08500 0.09500 ++ {0.0} {?} 46.3210029602 3.0472 0 {?} 0 389 {?} 7.17300 0.03100 0.04500 ++ {0.0} {?} {?} 0.90500 0.05500 0.10600 ++ {0.0} {?} 94.8002624512 6.1169 0 {?} 0 390 {13.HD2} 7.12200 0.03000 0.05200 ++ {0.0} {?} {11.HD21} 0.84500 0.06400 0.11300 ++ {0.0} {?} 154.725692749 10.3409 0 {?} 0 391 {15.HD1} 7.02700 0.03000 0.03600 ++ {0.0} {?} {17.HG21} 0.86600 0.04600 0.05900 ++ {0.0} {?} 30.5159015656 3.5428 0 {?} 0 392 {2.HE21} 6.82500 0.03000 0.04000 ++ {0.0} {?} {2.HG2} 2.51600 0.04200 0.06400 ++ {0.0} {?} 39.2214508057 5.0837 0 {?} 0 393 {3.HE1} 6.83000 0.03100 0.04300 ++ {0.0} {?} {1.HB2} 2.05000 0.04600 0.07800 ++ {0.0} {?} 52.5387802124 5.6961 0 {?} 0 394 {2.HE21} 6.78500 0.02000 0.03000 ++ {0.0} {?} {1.HB2} 2.03400 0.08600 0.15600 ++ {0.0} {?} 61.0161781311 5.6485 0 {?} 0 395 {13.HE1} 6.80600 0.02700 0.06500 ++ {0.0} {?} {11.HD21} 0.84200 0.06000 0.12800 ++ {0.0} {?} 251.976364136 17.0985 0 {?} 0 396 {9.HE21} 6.70400 0.02500 0.03700 ++ {0.0} {?} {9.HG2} 2.52600 0.05400 0.10600 ++ {0.0} {?} 76.7451934814 6.1193 0 {?} 0 397 {15.HD1} 7.02500 0.03500 0.06000 ++ {0.0} {?} {17.HB} 1.90000 0.05800 0.13500 ++ {0.0} {?} 155.72277832 8.6170 0 {?} 0 398 {6.HE21} 7.02900 0.02700 0.04600 ++ {0.0} {?} {5.HB2} 1.80800 0.03700 0.08800 ++ {0.0} {?} 27.1189250946 3.6250 0 {?} 0 399 {3.HD1} 7.02900 0.03200 0.05100 ++ {0.0} {?} {4.HE2} 1.61500 0.08300 0.17800 ++ {0.0} {?} 142.086227417 7.5683 0 {?} 0 400 {6.HE21} 7.10800 0.04700 0.04700 ++ {0.0} {?} {5.HB1} 1.79100 0.10100 0.10100 ++ {0.0} {?} 306.341217041 10.6701 0 {?} 0 401 {13.HD2} 7.12812 0.03300 0.03300 ++ {0.0} {?} {12.HB1} 1.68745 0.14200 0.14200 ++ {0.0} {?} 217.615783691 7.0986 0 {?} 0 402 {3.HD1} 7.17500 0.03100 0.04800 ++ {0.0} {?} {1.HB2} 2.05700 0.04200 0.13100 ++ {0.0} {?} 61.7349433899 6.9242 0 {?} 0 403 {1.HT1} 8.65100 0.03600 0.03800 ++ {0.0} {?} {4.HB1} 1.69100 0.09200 0.10100 ++ {0.0} {?} 63.6115493774 2.9016 0 {?} 0 404 {8.HN} 8.41400 0.03400 0.07400 ++ {0.0} {?} {7.HG21} 0.90700 0.07400 0.12100 ++ {0.0} {?} 178.105316162 10.7749 0 {?} 0 405 {8.HN} 8.41700 0.03300 0.06200 ++ {0.0} {?} {7.HB} 2.09100 0.07400 0.15600 ++ {0.0} {?} 131.83883667 7.4616 0 {?} 0 406 {8.HN} 8.41700 0.03000 0.05300 ++ {0.0} {?} {6.HG2} 1.90300 0.08200 0.11300 ++ {0.0} {?} 68.3375320435 3.7922 0 {?} 0 407 {17.HN} 7.98700 0.02100 0.03300 ++ {0.0} {?} {17.HG11} 1.45700 0.02500 0.06800 ++ {0.0} {?} 17.1746807098 2.7660 0 {?} 0 408 {8.HN} 8.41200 0.03000 0.04800 ++ {0.0} {?} {8.HG1} 2.66600 0.05700 0.10100 ++ {0.0} {?} 86.5086593628 5.7630 0 {?} 0 409 {4.HN} 8.01800 0.03900 0.04700 ++ {0.0} {?} {4.HG1} 2.63600 0.07300 0.09800 ++ {0.0} {?} 115.70980072 5.0637 0 {?} 0 410 {7.HN} 8.26800 0.02900 0.03100 ++ {0.0} {?} {9.HG2} 2.52300 0.03500 0.03900 ++ {0.0} {?} 19.572593689 2.9069 0 {?} 0 411 {12.HN} 8.15500 0.02000 0.03100 ++ {0.0} {?} {11.HD11} 0.87200 0.03600 0.04600 ++ {0.0} {?} 37.4804039001 5.5259 -1 {?} 0 412 {10.HN} 8.12100 0.02900 0.07400 ++ {0.0} {?} {11.HD12} 0.88200 0.03700 0.06200 ++ {0.0} {?} 67.3908920288 6.7186 0 {?} 0 413 {9.HN} 8.07300 0.02900 0.03300 ++ {0.0} {?} {11.HD12} 0.88900 0.07500 0.08900 ++ {0.0} {?} 149.98878479 5.7957 0 {?} 0 414 {18.HN} 7.80800 0.03300 0.05800 ++ {0.0} {?} {17.HD11} 0.84700 0.05200 0.10500 ++ {0.0} {?} 111.797721863 8.7741 0 {?} 0 415 {11.HN} 8.31100 0.02000 0.01800 ++ {0.0} {?} {10.HB3} 1.56500 0.04500 0.03900 ++ {0.0} {?} 19.1667385101 3.3875 0 {?} 0 416 {7.HN} 8.27200 0.02500 0.02500 ++ {0.0} {?} {6.HB2} 1.57800 0.12700 0.08100 ++ {0.0} {?} 106.145507812 8.3111 0 {?} 0 417 {19.HN} 7.72500 0.02000 0.01800 ++ {0.0} {?} {17.HG21} 0.83500 0.04500 0.03900 ++ {0.0} {?} 8.84673118591 1.7031 0 {?} 0 418 {16.HN} 7.65800 0.03700 0.03200 ++ {0.0} {?} {17.HB} 1.91700 0.03800 0.02800 ++ {0.0} {?} 14.8996047974 2.0085 0 {?} 0 419 {11.HN} 8.27300 0.04200 0.04800 ++ {0.0} {?} {12.HB2} 1.05100 0.05800 0.07400 ++ {0.0} {?} 73.7092285156 4.1472 0 {?} 0 420 {17.HN} 7.98800 0.04400 0.05100 ++ {0.0} {?} {17.HG12} 1.24000 0.06300 0.08100 ++ {0.0} {?} 69.0207595825 3.3685 0 {?} 0 421 {10.HN} 8.15400 0.02600 0.03300 ++ {0.0} {?} {7.HG12} 1.46600 0.07300 0.08800 ++ {0.0} {?} 64.4068222046 3.1691 0 {?} 0 422 {9.HN} 8.11200 0.02900 0.03300 ++ {0.0} {?} {7.HG12} 1.47900 0.07500 0.08900 ++ {0.0} {?} 70.1371459961 3.6615 0 {?} 0 423 {10.HN} 8.12100 0.03200 0.04100 ++ {0.0} {?} {10.HB1} 1.56700 0.05100 0.06100 ++ {0.0} {?} 89.7788085937 4.4705 0 {?} 0 424 {3.HN} 8.06300 0.02900 0.03300 ++ {0.0} {?} {4.HE1} 1.64100 0.07500 0.08900 ++ {0.0} {?} 54.243144989 3.2574 0 {?} 0 425 {11.HN} 8.27000 0.02700 0.02700 ++ {0.0} {?} {9.HB2} 2.29300 0.08500 0.11200 ++ {0.0} {?} 66.3483886719 4.1474 0 {?} 0 426 {6.HN} 8.20700 0.02900 0.03300 ++ {0.0} {?} {4.HB1} 1.71000 0.07500 0.08900 ++ {0.0} {?} 57.8836517334 3.4346 0 {?} 0 427 {14.HN} 8.51100 0.02700 0.02800 ++ {0.0} {?} {13.HB1} 3.15600 0.09300 0.15600 ++ {0.0} {?} 37.9782066345 2.2036 0 {?} 0 428 {?} 8.49000 0.02000 0.02000 ++ {0.0} {?} {?} 3.14900 0.04300 0.04300 ++ {0.0} {?} 11.1834058762 1.8445 0 {?} 0 429 {10.HN} 8.14900 0.01600 0.03800 ++ {0.0} {?} {9.HG2} 2.51000 0.02600 0.07200 ++ {0.0} {?} 14.9014863968 3.1828 0 {?} 0 430 {11.HN} 8.29100 0.00900 0.01800 ++ {0.0} {?} {9.HB2} 2.35300 0.05100 0.09200 ++ {0.0} {?} 10.5949392319 2.1757 0 {?} 0 431 {7.HN} 8.28800 0.02200 0.02700 ++ {0.0} {?} {8.HB1} 2.26700 0.04000 0.05900 ++ {0.0} {?} 15.4927349091 2.4889 0 {?} 0 432 {7.HN} 8.31100 0.01700 0.03600 ++ {0.0} {?} {11.HB2} 1.97200 0.04800 0.08500 ++ {0.0} {?} 30.4563140869 4.8715 0 {?} 0 433 {6.HN} 8.17400 0.03300 0.03300 ++ {0.0} {?} {5.HB2} 1.79100 0.11800 0.07200 ++ {0.0} {?} 46.5905532837 1.8771 -1 {?} 0 434 {?} 8.12400 0.05200 0.05200 ++ {0.0} {?} {?} 1.79800 0.11800 0.07200 ++ {0.0} {?} 226.856552124 4.3164 -1 {?} 0 435 {13.HN} 8.12300 0.04200 0.04200 ++ {0.0} {?} {12.HB2} 1.88300 0.24600 0.15100 ++ {0.0} {?} 595.367431641 13.8148 0 {?} 0 436 {12.HN} 8.07400 0.06500 0.06500 ++ {0.0} {?} {12.HB2} 1.89600 0.16000 0.09900 ++ {0.0} {?} 852.099853516 21.2792 0 {?} 0 437 {4.HN} 8.03100 0.02200 0.02200 ++ {0.0} {?} {6.HG2} 1.88300 0.23500 0.14400 ++ {0.0} {?} 122.738372803 3.6063 0 {?} 0 438 {10.HN} 8.15600 0.02500 0.02500 ++ {0.0} {?} {11.HB2} 1.94900 0.21400 0.13100 ++ {0.0} {?} 232.909866333 7.3408 0 {?} 0 439 {6.HN} 8.20600 0.03800 0.03800 ++ {0.0} {?} {7.HB} 2.08300 0.09600 0.05900 ++ {0.0} {?} 65.8908462524 3.5262 0 {?} 0 440 {6.HN} 8.20600 0.03100 0.03100 ++ {0.0} {?} {4.HB2} 2.17900 0.12800 0.07900 ++ {0.0} {?} 41.5387611389 2.1899 0 {?} 0 441 {6.HN} 8.17300 0.01600 0.01600 ++ {0.0} {?} {4.HB2} 2.16500 0.09600 0.05900 ++ {0.0} {?} 29.4632968903 2.4501 0 {?} 0 442 {} 8.15100 0.03100 0.03100 ++ {0.0} {?} {} 2.15200 0.13900 0.08500 ++ {0.0} {?} 71.8268432617 3.3007 0 {?} 0 443 {3.HN} 8.11100 0.03600 0.03600 ++ {0.0} {?} {2.HB1} 2.15200 0.10700 0.06600 ++ {0.0} {?} 67.2406845093 3.2341 0 {?} 0 444 {9.HN} 8.07400 0.04500 0.04500 ++ {0.0} {?} {7.HB} 2.06700 0.13900 0.08500 ++ {0.0} {?} 239.643569946 11.0787 0 {?} 0 445 {4.HN} 8.02200 0.06700 0.06700 ++ {0.0} {?} {1.HB2} 2.06400 0.17100 0.10500 ++ {0.0} {?} 286.893432617 9.0926 0 {?} 0 446 {?} 8.17100 0.00900 0.01800 ++ {0.0} {?} {?} 2.28000 0.05100 0.09200 ++ {0.0} {?} 18.0296401978 4.1814 -1 {?} 0 447 {10.HN} 8.15300 0.04000 0.04000 ++ {0.0} {?} {8.HB1} 2.28400 0.10700 0.06600 ++ {0.0} {?} 120.698226929 6.0417 0 {?} 0 448 {3.HN} 8.11000 0.03100 0.03100 ++ {0.0} {?} {2.HB2} 2.28000 0.13900 0.08500 ++ {0.0} {?} 137.528656006 6.6872 0 {?} 0 449 {11.HN} 8.32000 0.03400 0.03400 ++ {0.0} {?} {7.HB} 2.10300 0.16000 0.09900 ++ {0.0} {?} 55.3498916626 2.4325 0 {?} 0 450 {4.HN} 8.01700 0.01700 0.03300 ++ {0.0} {?} {3.HB1} 3.01300 0.03900 0.05300 ++ {0.0} {?} 10.3477983475 2.1726 0 {?} 0 451 {4.HN} 8.02100 0.01400 0.04300 ++ {0.0} {?} {3.HB2} 3.15100 0.06000 0.08500 ++ {0.0} {?} 27.9666728973 2.9271 0 {?} 0 452 {13.HN} 8.09400 0.03900 0.04300 ++ {0.0} {?} {12.HD2} 3.22900 0.08300 0.07900 ++ {0.0} {?} 177.900894165 6.9050 0 {?} 0 453 {12.HN} 8.15900 0.03500 0.10700 ++ {0.0} {?} {12.HD2} 3.21900 0.10300 0.14700 ++ {0.0} {?} 141.230484009 3.4879 0 {?} 0 454 {6.HN} 8.21100 0.02000 0.02200 ++ {0.0} {?} {5.HD2} 3.22900 0.04000 0.03800 ++ {0.0} {?} 12.3733730316 2.3496 0 {?} 0 455 {6.HN} 8.15600 0.02100 0.06300 ++ {0.0} {?} {3.HB2} 3.13700 0.06400 0.09200 ++ {0.0} {?} 76.9935379028 5.6920 0 {?} 0 456 {?} 8.29300 0.02000 0.02000 ++ {0.0} {?} {?} 3.84700 0.03200 0.05300 ++ {0.0} {?} 15.2080059052 2.4133 -1 {?} 0 457 {14.HN} 8.56300 0.02000 0.02000 ++ {0.0} {?} {13.HD2} 7.13200 0.05200 0.05200 ++ {0.0} {?} 17.2651290894 2.1082 0 {?} 0 458 {14.HN} 8.53200 0.01300 0.01300 ++ {0.0} {?} {15.HD1} 7.02900 0.04500 0.02300 ++ {0.0} {?} 6.05000448227 1.7048 0 {?} 0 459 {?} 8.49700 0.01300 0.01300 ++ {0.0} {?} {?} 7.01700 0.03400 0.01800 ++ {0.0} {?} 7.39025163651 1.7149 -1 {?} 0 460 {12.HN} 8.15600 0.02300 0.05100 ++ {0.0} {?} {13.HD2} 7.12600 0.04600 0.06100 ++ {0.0} {?} 28.6147613525 3.7523 0 {?} 0 461 {15.HN} 8.42000 0.02000 0.02300 ++ {0.0} {?} {15.HD1} 7.02200 0.04200 0.04800 ++ {0.0} {?} 16.592502594 3.0151 0 {?} 0 462 {4.HN} 8.00600 0.02300 0.02700 ++ {0.0} {?} {3.HD1} 7.16800 0.05000 0.06100 ++ {0.0} {?} 30.5961265564 3.2258 0 {?} 0 463 {3.HN} 8.07100 0.03900 0.09200 ++ {0.0} {?} {3.HD1} 7.17200 0.05000 0.14100 ++ {0.0} {?} 172.777374268 11.5633 0 {?} 0 464 {13.HN} 8.05900 0.02900 0.03500 ++ {0.0} {?} {15.HD1} 7.03400 0.05100 0.06200 ++ {0.0} {?} 37.9574127197 3.2822 0 {?} 0 465 {13.HN} 8.09900 0.02000 0.06300 ++ {0.0} {?} {15.HD1} 7.02200 0.03800 0.03100 ++ {0.0} {?} 13.8535633087 2.1216 0 {?} 0 466 {2.HN} 8.06800 0.03300 0.05500 ++ {0.0} {?} {3.HE1} 6.82100 0.07200 0.08900 ++ {0.0} {?} 69.0774459839 3.8892 0 {?} 0 467 {12.HN} 8.10900 0.02200 0.04300 ++ {0.0} {?} {13.HE1} 6.79800 0.05700 0.05700 ++ {0.0} {?} 26.4951896667 2.1893 0 {?} 0 468 {14.HN} 8.50300 0.02300 0.02300 ++ {0.0} {?} {13.HN} 8.09900 0.08500 0.07200 ++ {0.0} {?} 30.7977256775 2.0416 0 {?} 0 469 {15.HE1} 6.78374 0.03235 0.03899 ++ {0.0} {} {15.HB2} 3.05140 0.11900 0.15646 ++ {0.0} {} 493.861114502 18.3923 0 {} 0 470 {2.HE21} 6.79080 0.02464 0.03520 ++ {0.0} {} {1.HB1} 1.90995 0.11007 0.08136 ++ {0.0} {} 155.976577759 8.9667 0 {} 0 471 {8.HG1} 2.67106 0.03312 0.04326 ++ {0.0} {} {6.HA} 4.10129 0.05255 0.06806 ++ {0.0} {} 50.1049346924 4.0426 0 {} 0 472 {10.HB1} 1.58113 0.02910 0.04024 ++ {0.0} {} {7.HA} 3.69895 0.04286 0.05944 ++ {0.0} {} 88.8575820923 11.6048 0 {} 0 473 {11.HB2} 1.97457 0.04578 0.04293 ++ {0.0} {} {8.HA} 3.84465 0.04941 0.04789 ++ {0.0} {} 68.8651580811 4.4186 0 {} 0 474 {16.HD2} 3.05401 0.02932 0.02969 ++ {0.0} {} {16.HA} 4.27893 0.04437 0.04499 ++ {0.0} {} 54.102596283 6.9645 0 {} 0 475 {15.HB2} 3.06325 0.05366 0.04807 ++ {0.0} {} {15.HA} 4.19020 0.03628 0.05183 ++ {0.0} {} 83.0355529785 7.4048 0 {} 0 476 {16.HB1} 2.10339 0.07925 0.07889 ++ {0.0} {} {15.HA} 4.19436 0.04804 0.04769 ++ {0.0} {} 207.514083862 8.8303 0 {} 0 477 {14.HN} 8.56643 0.03226 0.03457 ++ {0.0} {} {13.HB1} 3.13851 0.05632 0.06147 ++ {0.0} {} 43.6285209656 2.5666 0 {} 0 478 {7.HN} 8.27143 0.01013 0.01447 ++ {0.0} {} {8.HG1} 2.66288 0.05134 0.03082 ++ {0.0} {} 5.81654882431 1.6659 0 {} 0 479 {11.HN} 8.26853 0.03568 0.09038 ++ {0.0} {} {12.HB2} 1.90267 0.07262 0.11002 ++ {0.0} {} 252.817398071 9.9697 0 {} 0 480 {18.HN} 7.81551 0.01499 0.02141 ++ {0.0} {} {17.HG11} 1.45870 0.03528 0.06030 ++ {0.0} {} 8.49437332153 1.8274 0 {} 0 481 {18.HN} 7.81136 0.01999 0.01931 ++ {0.0} {} {17.HG12} 1.24395 0.04484 0.04290 ++ {0.0} {} 11.8741617203 2.2349 0 {} 0 482 {18.HN} 7.80295 0.01499 0.03790 ++ {0.0} {} {19.HG2} 1.63082 0.03528 0.09144 ++ {0.0} {} 17.739528656 3.7596 0 {} 0 483 {5.HN} 7.80605 0.03906 0.05867 ++ {0.0} {} {6.HG2} 1.91449 0.05920 0.15646 ++ {0.0} {} 211.202560425 11.7636 0 {} 0 484 {13.HD2} 7.13154 0.01078 0.01541 ++ {0.0} {} {14.HN} 8.56904 0.02577 0.03682 ++ {0.0} {} 9.24141788483 3.1348 0 {} 0 485 {15.HD1} 7.02917 0.02714 0.02622 ++ {0.0} {} {14.HN} 8.50210 0.06571 0.09388 ++ {0.0} {} 69.9705352783 4.4255 0 {} 0 486 {15.HD1} 7.03071 0.03372 0.03835 ++ {0.0} {} {15.HN} 8.43187 0.03455 0.04281 ++ {0.0} {} 51.7352256775 5.9859 0 {} 0 487 {3.HD1} 7.17504 0.04051 0.06290 ++ {0.0} {} {3.HN} 8.06970 0.05668 0.11402 ++ {0.0} {} 332.305206299 18.0859 0 {} 0 488 {13.HD2} 7.12278 0.03563 0.04587 ++ {0.0} {} {12.HN} 8.10788 0.08434 0.10441 ++ {0.0} {} 188.253356934 8.3176 0 {} 0 489 {13.HD2} 7.12691 0.03563 0.04587 ++ {0.0} {} {12.HN} 8.16669 0.08434 0.10441 ++ {0.0} {} 139.92527771 5.1553 0 {} 0 490 {15.HD1} 7.02823 0.02847 0.03595 ++ {0.0} {} {13.HN} 8.07526 0.07713 0.09279 ++ {0.0} {} 119.573890686 6.6126 0 {} 0 491 {3.HE1} 6.82434 0.04099 0.05091 ++ {0.0} {} {3.HN} 8.07534 0.06518 0.09714 ++ {0.0} {} 137.724395752 7.5896 0 {} 0 492 {2.HE21} 6.78198 0.01897 0.01886 ++ {0.0} {} {2.HN} 8.08253 0.06100 0.06041 ++ {0.0} {} 33.7022743225 2.8870 0 {} 0 493 {15.HE1} 6.78612 0.01988 0.04573 ++ {0.0} {} {15.HN} 8.42729 0.10687 0.04993 ++ {0.0} {} 26.6820011139 2.3887 0 {} 0 494 {3.HE1} 6.82211 0.01988 0.03049 ++ {0.0} {} {1.HT1} 8.63874 0.10687 0.07021 ++ {0.0} {} 19.373418808 1.8324 0 {} 0 495 {7.HA} 3.69788 0.03312 0.03495 ++ {0.0} {} {5.HA} 4.19487 0.05255 0.05657 ++ {0.0} {} 59.9613304138 4.9323 0 {} 0 496 {16.HD2} 3.06169 0.02932 0.02969 ++ {0.0} {} {17.HA} 4.01412 0.04437 0.04499 ++ {0.0} {} 32.8038253784 4.6188 0 {} 0 497 {8.HB1} 2.28857 0.05202 0.07432 ++ {0.0} {} {9.HA} 4.19534 0.05601 0.09388 ++ {0.0} {} 169.524597168 6.5393 0 {} 0 498 {8.HB1} 2.32738 0.06316 0.07432 ++ {0.0} {} {6.HA} 4.10125 0.04225 0.05486 ++ {0.0} {} 95.7282485962 4.3015 0 {} 0 499 {1.HB2} 2.03972 0.06316 0.07432 ++ {0.0} {} {2.HA} 4.00171 0.04225 0.05486 ++ {0.0} {} 101.247314453 6.4924 0 {} 0 500 {17.HB} 1.91903 0.05490 0.09175 ++ {0.0} {} {16.HA} 4.28339 0.06571 0.09388 ++ {0.0} {} 332.978851318 12.7595 0 {} 0 501 {4.HE1} 1.64659 0.08488 0.12126 ++ {0.0} {} {2.HA} 4.01058 0.07034 0.09919 ++ {0.0} {} 372.425079346 7.8993 0 {} 0 502 {5.HB1} 1.72658 0.03559 0.05085 ++ {0.0} {} {6.HA} 4.09117 0.04631 0.05920 ++ {0.0} {} 92.7645797729 6.3113 0 {} 0 503 {17.HG11} 1.50216 0.07079 0.09441 ++ {0.0} {} {17.HA} 4.02636 0.04630 0.07403 ++ {0.0} {} 179.248748779 7.6929 0 {} 0 504 {7.HG12} 1.46601 0.06689 0.07001 ++ {0.0} {} {6.HA} 4.13822 0.04803 0.05162 ++ {0.0} {} 111.882095337 4.9229 0 {} 0 505 {7.HG12} 1.06256 0.06476 0.06847 ++ {0.0} {} {7.HA} 3.69911 0.04237 0.04475 ++ {0.0} {} 71.5769424438 4.8261 0 {} 0 506 {17.HD11} 0.85144 0.05604 0.07354 ++ {0.0} {} {14.HA1} 3.78754 0.09723 0.15528 ++ {0.0} {} 341.132537842 8.4405 0 {} 0 507 {7.HG21} 0.90886 0.04384 0.04397 ++ {0.0} {} {8.HA} 3.84538 0.05607 0.10734 ++ {0.0} {} 195.473358154 8.4044 0 {} 0 508 {11.HD11} 0.88329 0.04384 0.09465 ++ {0.0} {} {8.HA} 3.84539 0.05607 0.10734 ++ {0.0} {} 289.894958496 15.3400 0 {} 0 509 {7.HG21} 0.91184 0.03428 0.06417 ++ {0.0} {} {4.HA} 4.28962 0.07391 0.12106 ++ {0.0} {} 330.371765137 20.2706 0 {} 0 510 {17.HD11} 0.85985 0.03054 0.03544 ++ {0.0} {} {18.HA} 4.36011 0.03836 0.04480 ++ {0.0} {} 41.7653198242 5.4742 0 {} 0 511 {2.HG2} 2.53098 0.00966 0.01380 ++ {0.0} {} {3.HA} 4.66203 0.03239 0.04628 ++ {0.0} {} 8.62336826324 3.0054 0 {} 0 512 {16.HG2} 1.71234 0.03012 0.04303 ++ {0.0} {} {16.HD2} 3.04761 0.04822 0.03461 ++ {0.0} {} 44.3200683594 3.5516 0 {} 0 513 {20.HB1} 1.80209 0.05750 0.08214 ++ {0.0} {} {20.HD2} 3.17970 0.14303 0.18194 ++ {0.0} {} 781.474731445 11.1622 0 {} 0 514 {} 1.93299 0.01369 0.01956 ++ {0.0} {} {} 3.04447 0.05374 0.05695 ++ {0.0} {} 39.386756897 4.8442 -1 {} 0 515 {} 1.74066 0.02665 0.03417 ++ {0.0} {} {} 2.87980 0.03225 0.04589 ++ {0.0} {} 57.3892936707 7.8960 -1 {} 0 516 {7.HG21} 0.91909 0.01917 0.02738 ++ {0.0} {} {8.HG2} 2.66156 0.08107 0.08176 ++ {0.0} {} 45.1131401062 3.7090 0 {} 0 517 {11.HD11} 0.88612 0.01134 0.01620 ++ {0.0} {} {8.HG1} 2.66367 0.06145 0.03864 ++ {0.0} {} 12.8428544998 2.6572 0 {} 0 518 {} 0.91262 0.02969 0.02583 ++ {0.0} {} {} 3.00971 0.05068 0.04266 ++ {0.0} {} 28.0414848328 3.1458 -1 {} 0 519 {11.HD21} 0.90906 0.03327 0.03574 ++ {0.0} {} {13.HB1} 3.14012 0.04487 0.04887 ++ {0.0} {} 32.3408927917 4.0001 -1 {} 0 520 {17.HG21} 0.86052 0.02023 0.02358 ++ {0.0} {} {15.HB1} 3.19425 0.09504 0.11416 ++ {0.0} {} 70.1776199341 4.6135 0 {} 0 521 {7.HG12} 1.06017 0.04416 0.07095 ++ {0.0} {} {7.HB} 2.09092 0.05369 0.07259 ++ {0.0} {} 103.573524475 5.0580 0 {} 0 522 {7.HG12} 1.07916 0.07287 0.10351 ++ {0.0} {} {6.HG2} 1.90785 0.06735 0.10791 ++ {0.0} {} 262.487823486 6.1880 -1 {} 0 523 {7.HG21} 0.91300 0.05202 0.07432 ++ {0.0} {} {6.HG2} 1.91326 0.07994 0.17095 ++ {0.0} {} 1048.46618652 36.9541 0 {} 0 524 {7.HG12} 1.05998 0.07287 0.10351 ++ {0.0} {} {6.HG2} 1.90597 0.06735 0.10791 ++ {0.0} {} 277.162902832 8.4156 0 {} 0 525 {17.HG21} 0.87909 0.03352 0.08170 ++ {0.0} {} {17.HG11} 1.46427 0.05912 0.15646 ++ {0.0} {} 569.542053223 33.6432 0 {} 0 526 {11.HD11} 0.88321 0.03261 0.04303 ++ {0.0} {} {12.HG1} 1.56974 0.06571 0.09388 ++ {0.0} {} 133.145217896 8.1276 0 {} 0 527 {7.HG21} 0.91584 0.02176 0.03520 ++ {0.0} {} {6.HB2} 1.57110 0.03509 0.05062 ++ {0.0} {} 35.0691146851 6.5367 0 {} 0 528 {17.HG21} 0.85245 0.03256 0.05044 ++ {0.0} {} {17.HG12} 1.25168 0.06450 0.12151 ++ {0.0} {} 338.816986084 21.8552 0 {} 0 529 {7.HG11} 1.51367 0.04459 0.09718 ++ {0.0} {} {5.HB2} 1.78657 0.08665 0.13200 ++ {0.0} {} 276.599365234 9.9279 0 {} 0 530 {17.HG11} 1.46682 0.07986 0.12589 ++ {0.0} {} {17.HB} 1.95614 0.07374 0.11727 ++ {0.0} {} 467.275054932 10.4240 0 {} 0 531 {5.HG2} 1.68321 0.08141 0.11282 ++ {0.0} {} {7.HB} 2.03478 0.06571 0.09388 ++ {0.0} {} 371.077545166 8.7109 0 {} 0 532 {17.HG11} 1.46300 0.05636 0.08250 ++ {0.0} {} {17.HG12} 1.24746 0.05844 0.10412 ++ {0.0} {} 364.444854736 13.6417 0 {} 0 533 {10.HB1} 1.58048 0.02714 0.04023 ++ {0.0} {} {11.HD11} 0.88964 0.05367 0.09255 ++ {0.0} {} 170.729995728 12.3568 0 {} 0 534 {7.HB} 2.10372 0.01917 0.02738 ++ {0.0} {} {7.HG12} 1.05630 0.03304 0.04720 ++ {0.0} {} 28.7216510773 4.4490 0 {} 0 535 {8.HB1} 2.29405 0.13887 0.14192 ++ {0.0} {} {11.HD11} 0.89839 0.06045 0.06181 ++ {0.0} {} 313.457977295 5.8244 0 {} 0 536 {7.HB} 2.07448 0.02804 0.02820 ++ {0.0} {} {7.HG12} 1.05374 0.05083 0.05107 ++ {0.0} {} 67.7885437012 5.7199 0 {} 0 537 {12.HD2} 3.20826 0.06859 0.08214 ++ {0.0} {} {11.HD11} 0.85067 0.05206 0.06319 ++ {0.0} {} 126.807777405 4.6088 0 {} 0 538 {15.HB1} 3.15632 0.03559 0.05085 ++ {0.0} {} {17.HG21} 0.88956 0.10628 0.11459 ++ {0.0} {} 128.76864624 4.4589 0 {} 0 539 {} 3.01178 0.03779 0.03798 ++ {0.0} {} {} 0.90032 0.04698 0.04724 ++ {0.0} {} 40.478313446 3.6643 0 {} 0 540 {8.HG2} 2.66823 0.04107 0.05867 ++ {0.0} {} {7.HG21} 0.90741 0.06121 0.08476 ++ {0.0} {} 98.1061935425 5.1888 0 {} 0 541 {8.HG1} 2.63144 0.02154 0.03077 ++ {0.0} {} {7.HG21} 0.90785 0.06045 0.05932 ++ {0.0} {} 39.1168060303 3.5770 0 {} 0 542 {9.HG2} 2.52539 0.04004 0.03971 ++ {0.0} {} {7.HG21} 0.90778 0.05450 0.05357 ++ {0.0} {} 48.6162109375 3.5822 0 {} 0 543 {7.HA} 3.69811 0.04172 0.06433 ++ {0.0} {} {7.HG12} 1.05923 0.06614 0.11479 ++ {0.0} {} 266.820770264 11.5051 0 {} 0 544 {14.HA2} 3.79833 0.03589 0.03903 ++ {0.0} {} {17.HG12} 1.23769 0.05795 0.06246 ++ {0.0} {} 67.8764724731 3.9512 0 {} 0 545 {8.HA} 3.84940 0.03758 0.08977 ++ {0.0} {} {11.HD11} 0.88523 0.05298 0.12107 ++ {0.0} {} 357.872192383 20.3032 0 {} 0 546 {14.HA1} 3.78801 0.05750 0.08214 ++ {0.0} {} {17.HD11} 0.84656 0.05999 0.09943 ++ {0.0} {} 251.517196655 9.2515 0 {} 0 547 {} 4.29302 0.03510 0.04965 ++ {0.0} {} {} 0.90709 0.06353 0.09980 ++ {0.0} {} 125.747367859 7.6452 0 {} 0 548 {10.HA} 4.20160 0.02647 0.02365 ++ {0.0} {} {11.HD11} 0.88140 0.04358 0.06226 ++ {0.0} {} 20.2651386261 3.2877 0 {} 0 549 {11.HA} 4.13384 0.04517 0.09779 ++ {0.0} {} {11.HD11} 0.87504 0.05830 0.12052 ++ {0.0} {} 457.755645752 23.8844 0 {} 0 550 {8.HA} 3.84326 0.05862 0.06211 ++ {0.0} {} {7.HG11} 1.46320 0.07343 0.08132 ++ {0.0} {} 110.983459473 4.1422 0 {} 0 551 {14.HA2} 3.78289 0.01917 0.02738 ++ {0.0} {} {17.HG11} 1.47241 0.03997 0.05710 ++ {0.0} {} 17.5504665375 2.6551 0 {} 0 552 {14.HA2} 3.76510 0.01917 0.02738 ++ {0.0} {} {17.HG12} 1.24791 0.03994 0.05706 ++ {0.0} {} 19.1869373322 2.9150 0 {} 0 553 {7.HA} 3.69910 0.03721 0.06862 ++ {0.0} {} {10.HB1} 1.57687 0.03804 0.08080 ++ {0.0} {} 130.61907959 13.2968 0 {} 0 554 {} 3.78435 0.04657 0.04760 ++ {0.0} {} {} 1.91836 0.04662 0.04773 ++ {0.0} {} 48.4452629089 3.7317 0 {} 0 555 {18.HB2} 3.86624 0.03114 0.05565 ++ {0.0} {} {17.HB} 1.93643 0.07688 0.11834 ++ {0.0} {} 122.168609619 4.0452 0 {} 0 556 {8.HA} 3.84394 0.01978 0.01741 ++ {0.0} {} {7.HB} 2.08647 0.05952 0.08502 ++ {0.0} {} 34.7149658203 3.1081 0 {} 0 557 {2.HA} 4.03826 0.03336 0.05170 ++ {0.0} {} {2.HB1} 2.16186 0.05254 0.08841 ++ {0.0} {} 111.392196655 8.5470 0 {} 0 558 {16.HA} 4.29024 0.03380 0.04919 ++ {0.0} {} {16.HB1} 2.08082 0.03976 0.05803 ++ {0.0} {} 57.8539428711 6.7415 0 {} 0 559 {19.HA} 4.28377 0.03932 0.05031 ++ {0.0} {} {20.HB2} 1.91366 0.05161 0.08051 ++ {0.0} {} 106.314613342 6.5922 0 {} 0 560 {20.HA} 4.19872 0.04244 0.05830 ++ {0.0} {} {20.HB2} 1.91006 0.07158 0.11121 ++ {0.0} {} 244.772949219 12.3211 0 {} 0 561 {5.HA} 4.19936 0.03059 0.04022 ++ {0.0} {} {5.HB1} 1.79322 0.04725 0.09401 ++ {0.0} {} 79.9240341187 7.0663 0 {} 0 562 {9.HA} 4.20252 0.04141 0.07041 ++ {0.0} {} {6.HB2} 1.57791 0.03353 0.05824 ++ {0.0} {} 157.857192993 13.8389 0 {} 0 563 {19.HA} 4.28777 0.02333 0.02753 ++ {0.0} {} {19.HG2} 1.62912 0.07228 0.08565 ++ {0.0} {} 65.5096893311 4.6853 0 {} 0 564 {6.HA} 4.09350 0.03560 0.06650 ++ {0.0} {} {8.HB1} 2.28001 0.09126 0.12382 ++ {0.0} {} 191.533126831 9.1424 0 {} 0 565 {7.HA} 3.69619 0.01373 0.01961 ++ {0.0} {} {8.HB1} 2.27254 0.05670 0.04581 ++ {0.0} {} 21.2090435028 3.0566 0 {} 0 566 {} 2.41388 0.02008 0.02869 ++ {0.0} {} {} 1.21731 0.04759 0.03882 ++ {0.0} {} 16.6150531769 2.4610 0 {} 0 567 {11.HB2} 1.96839 0.07738 0.11967 ++ {0.0} {} {11.HD21} 0.87838 0.05862 0.15823 ++ {0.0} {} 1650.29309082 39.6757 0 {} 0 568 {7.HG12} 1.06020 0.09808 0.14472 ++ {0.0} {} {7.HG21} 0.90653 0.06813 0.17728 ++ {0.0} {} 1284.08361816 31.1813 0 {} 0 569 {7.HG21} 0.91361 0.03848 0.10447 ++ {0.0} {} {7.HG12} 1.05788 0.10952 0.15646 ++ {0.0} {} 1182.04943848 44.2825 0 {} 0 570 {2.HG2} 2.51598 0.01520 0.02171 ++ {0.0} {} {1.HD2} 3.22972 0.05560 0.03978 ++ {0.0} {} 15.212015152 2.2692 0 {} 0 571 {2.HG2} 2.52462 0.00878 0.01254 ++ {0.0} {} {1.HD1} 3.14064 0.03474 0.01710 ++ {0.0} {} 5.28431844711 1.9332 0 {} 0 572 {7.HB} 2.06857 0.00821 0.02578 ++ {0.0} {} {7.HA} 3.69583 0.02872 0.06710 ++ {0.0} {} 12.062582016 4.2279 0 {} 0 573 {17.HG21} 0.85581 0.04070 0.07448 ++ {0.0} {} {17.HB} 1.91417 0.09366 0.12675 ++ {0.0} {} 1255.53723145 48.5214 0 {} 0 574 {2.HA} 4.02642 0.03721 0.03363 ++ {0.0} {} {2.HE21} 6.79502 0.03867 0.05525 ++ {0.0} {} 37.2892913818 5.0199 0 {} 0 575 {12.HA} 4.02770 0.03153 0.04504 ++ {0.0} {} {15.HD1} 7.03156 0.04379 0.03792 ++ {0.0} {} 47.4297409058 5.0202 0 {} 0 576 {5.HA} 4.19674 0.04854 0.05079 ++ {0.0} {} {6.HE21} 7.03549 0.04072 0.04324 ++ {0.0} {} 63.8972206116 6.0698 0 {} 0 577 {12.HA} 4.02886 0.02682 0.03831 ++ {0.0} {} {13.HD2} 7.11019 0.04173 0.04066 ++ {0.0} {} 43.212474823 5.5508 0 {} 0 578 {15.HB2} 3.01788 0.06780 0.09144 ++ {0.0} {} {13.HD2} 7.17149 0.03951 0.05901 ++ {0.0} {} 175.09954834 11.2365 0 {} 0 579 {9.HG2} 2.52027 0.01939 0.02771 ++ {0.0} {} {9.HE21} 6.69946 0.04917 0.03379 ++ {0.0} {} 33.8607826233 4.3365 0 {} 0 580 {2.HG2} 2.52862 0.02247 0.03210 ++ {0.0} {} {3.HE1} 6.81795 0.05448 0.03157 ++ {0.0} {} 37.7139053345 4.0076 0 {} 0 581 {9.HG2} 2.52647 0.04758 0.05675 ++ {0.0} {} {9.HE22} 7.31943 0.05506 0.07546 ++ {0.0} {} 160.727005005 8.2606 0 {} 0 582 {4.HG1} 2.62877 0.03559 0.05085 ++ {0.0} {} {4.HN} 8.02136 0.04113 0.03644 ++ {0.0} {} 55.6568069458 5.1107 0 {} 0 583 {8.HG2} 2.67096 0.03012 0.04303 ++ {0.0} {} {8.HN} 8.41587 0.03264 0.04662 ++ {0.0} {} 45.6460113525 4.4496 0 {} 0 584 {4.HG2} 2.67495 0.04896 0.05016 ++ {0.0} {} {4.HN} 8.01493 0.05751 0.05938 ++ {0.0} {} 125.019432068 5.8846 0 {} 0 585 {15.HB2} 3.06672 0.02734 0.03905 ++ {0.0} {} {15.HN} 8.42606 0.05238 0.03117 ++ {0.0} {} 50.372379303 4.0522 0 {} 0 586 {3.HB1} 3.05210 0.04743 0.06369 ++ {0.0} {} {2.HN} 8.06619 0.05961 0.07696 ++ {0.0} {} 163.79133606 5.1276 0 {} 0 587 {15.HB1} 3.15582 0.02659 0.03798 ++ {0.0} {} {15.HN} 8.42783 0.04617 0.04384 ++ {0.0} {} 46.1181564331 5.4199 0 {} 0 588 {13.HB1} 3.14586 0.01268 0.03341 ++ {0.0} {} {14.HN} 8.56668 0.02849 0.05873 ++ {0.0} {} 16.6254348755 3.4895 0 {} 0 589 {7.HA} 3.70238 0.03822 0.03697 ++ {0.0} {} {8.HN} 8.41384 0.04369 0.06242 ++ {0.0} {} 48.1181983948 5.4627 0 {} 0 590 {14.HA2} 3.79128 0.02431 0.03473 ++ {0.0} {} {15.HN} 8.43004 0.04508 0.03692 ++ {0.0} {} 37.0987625122 4.8203 0 {} 0 591 {} 4.00096 0.03834 0.05579 ++ {0.0} {} {} 8.64558 0.04041 0.07430 ++ {0.0} {} 146.5025177 15.3985 -1 {} 0 592 {8.HA} 3.84897 0.02326 0.02241 ++ {0.0} {} {11.HN} 8.27392 0.04930 0.04700 ++ {0.0} {} 44.010684967 5.4386 0 {} 0 593 {8.HA} 3.85101 0.03348 0.03480 ++ {0.0} {} {9.HN} 8.10991 0.09031 0.09305 ++ {0.0} {} 121.731742859 5.9908 0 {} 0 594 {19.HA} 4.27922 0.01748 0.02497 ++ {0.0} {} {20.HN} 7.84609 0.04502 0.01993 ++ {0.0} {} 23.8758335114 3.6555 0 {} 0 595 {12.HD2} 3.23716 0.06731 0.08214 ++ {0.0} {} {13.HE1} 6.81642 0.11585 0.24246 ++ {0.0} {} 627.4609375 12.3242 0 {} 0 596 {1.HD2} 3.22760 0.00934 0.03175 ++ {0.0} {} {1.HT1} 8.64343 0.01084 0.04221 ++ {0.0} {} 9.45399188995 3.1836 0 {} 0 597 {9.HG2} 2.52066 0.01624 0.02320 ++ {0.0} {} {8.HN} 8.41513 0.02490 0.03557 ++ {0.0} {} 18.0063228607 3.8925 0 {} 0 598 {8.HB1} 2.27932 0.06335 0.09422 ++ {0.0} {} {8.HN} 8.41333 0.05596 0.10436 ++ {0.0} {} 345.62286377 11.7036 0 {} 0 599 {9.HB2} 2.33326 0.02785 0.03082 ++ {0.0} {} {8.HN} 8.42714 0.05228 0.06281 ++ {0.0} {} 76.2687301636 5.1650 0 {} 0 600 {7.HB} 2.07765 0.02785 0.03082 ++ {0.0} {} {8.HN} 8.41493 0.05228 0.06281 ++ {0.0} {} 85.3676147461 7.1147 0 {} 0 601 {9.HG2} 2.52823 0.03846 0.04152 ++ {0.0} {} {7.HN} 8.26206 0.09978 0.10536 ++ {0.0} {} 174.84022522 6.2875 0 {} 0 602 {8.HB2} 2.34801 0.02304 0.03292 ++ {0.0} {} {7.HN} 8.26616 0.03116 0.04452 ++ {0.0} {} 33.6781806946 4.1188 0 {} 0 603 {11.HB2} 1.96906 0.07767 0.10457 ++ {0.0} {} {11.HN} 8.27676 0.05036 0.07748 ++ {0.0} {} 310.387207031 9.1687 0 {} 0 604 {8.HB2} 2.35303 0.08209 0.08743 ++ {0.0} {} {9.HN} 8.07711 0.10035 0.12366 ++ {0.0} {} 329.920349121 7.2724 0 {} 0 605 {2.HB1} 2.17627 0.06845 0.11000 ++ {0.0} {} {3.HN} 8.08099 0.14603 0.09705 ++ {0.0} {} 422.277801514 7.7798 0 {} 0 606 {7.HB} 2.07166 0.10213 0.13653 ++ {0.0} {} {9.HN} 8.06135 0.16825 0.14524 ++ {0.0} {} 894.904785156 12.8306 0 {} 0 607 {1.HB1} 1.91001 0.07567 0.16047 ++ {0.0} {} {2.HN} 8.07500 0.09785 0.13477 ++ {0.0} {} 993.691345215 18.3109 0 {} 0 608 {2.HB2} 2.29064 0.08209 0.15113 ++ {0.0} {} {3.HN} 8.09428 0.10035 0.12366 ++ {0.0} {} 642.158874512 11.5905 0 {} 0 609 {8.HB1} 2.29262 0.03908 0.03244 ++ {0.0} {} {7.HN} 8.25688 0.10054 0.08420 ++ {0.0} {} 112.2604599 4.5357 0 {} 0 610 {10.HB1} 1.58028 0.02900 0.04418 ++ {0.0} {} {11.HN} 8.27671 0.05352 0.12076 ++ {0.0} {} 189.078567505 13.3747 0 {} 0 611 {7.HG21} 0.91407 0.04071 0.05656 ++ {0.0} {} {8.HN} 8.41401 0.06133 0.11117 ++ {0.0} {} 214.919586182 11.5054 0 {} 0 612 {11.HD21} 0.87869 0.04279 0.06544 ++ {0.0} {} {12.HN} 8.13393 0.10749 0.15646 ++ {0.0} {} 329.903167725 9.7376 0 {} 0 613 {11.HD21} 0.91074 0.04014 0.05013 ++ {0.0} {} {12.HN} 8.07525 0.09708 0.14027 ++ {0.0} {} 235.717330933 8.1784 0 {} 0 614 {17.HG21} 0.85683 0.02487 0.02980 ++ {0.0} {} {18.HN} 7.81027 0.04242 0.05250 ++ {0.0} {} 49.1845092773 7.4668 0 {} 0 615 {17.HA} 4.05933 0.02675 0.03821 ++ {0.0} {} {18.HN} 7.81105 0.04754 0.04391 ++ {0.0} {} 67.4638900757 6.6117 0 {} 0 616 {9.HA} 4.19602 0.03595 0.05013 ++ {0.0} {} {10.HN} 8.16388 0.06157 0.08517 ++ {0.0} {} 155.465332031 7.2728 0 {} 0 617 {5.HA} 4.19376 0.02848 0.02875 ++ {0.0} {} {7.HN} 8.26762 0.06571 0.09388 ++ {0.0} {} 74.9476699829 4.6107 0 {} 0 618 {11.HD21} 0.85061 0.04234 0.05741 ++ {0.0} {} {13.HE1} 6.80631 0.04119 0.05958 ++ {0.0} {} 84.4936065674 8.2280 0 {} 0 619 {11.HD21} 0.85329 0.02454 0.02749 ++ {0.0} {} {13.HD2} 7.12243 0.04164 0.04658 ++ {0.0} {} 34.3668479919 5.1668 0 {} 0 620 {1.HB2} 2.04699 0.04894 0.04811 ++ {0.0} {} {2.HE22} 7.32166 0.05596 0.05390 ++ {0.0} {} 78.5217437744 4.3928 0 {} 0 621 {1.HB1} 1.91648 0.05698 0.07925 ++ {0.0} {} {2.HE21} 6.80878 0.07114 0.08905 ++ {0.0} {} 180.559906006 5.8333 0 {} 0 622 {1.HB2} 2.05186 0.02036 0.02908 ++ {0.0} {} {2.HE21} 6.80042 0.03496 0.04995 ++ {0.0} {} 22.8504066467 3.7374 0 {} 0 623 {6.HA} 4.09370 0.01290 0.01843 ++ {0.0} {} {8.HN} 8.41142 0.05094 0.03089 ++ {0.0} {} 20.8418540955 3.2681 0 {} 0 624 {12.HA} 4.02485 0.01369 0.01956 ++ {0.0} {} {15.HN} 8.42223 0.05278 0.04228 ++ {0.0} {} 29.8418998718 3.7986 0 {} 0 625 {7.HA} 3.69817 0.01639 0.02341 ++ {0.0} {} {10.HN} 8.15665 0.04122 0.05888 ++ {0.0} {} 16.2513961792 3.5671 0 {} 0 626 {7.HA} 3.70281 0.02038 0.02911 ++ {0.0} {} {9.HN} 8.07787 0.05323 0.02858 ++ {0.0} {} 27.1716251373 3.1130 0 {} 0 627 {6.HA} 4.09382 0.03559 0.05085 ++ {0.0} {} {9.HN} 8.07551 0.06079 0.08547 ++ {0.0} {} 130.766555786 6.4729 0 {} 0 628 {11.HA} 4.14165 0.02464 0.03520 ++ {0.0} {} {12.HN} 8.12510 0.03106 0.04438 ++ {0.0} {} 26.2007408142 3.2037 0 {} 0 629 {14.HA1} 3.78992 0.01109 0.01585 ++ {0.0} {} {13.HN} 8.09256 0.05832 0.02218 ++ {0.0} {} 15.6082544327 2.8120 -1 {} 0 630 {12.HA} 4.02437 0.03201 0.03714 ++ {0.0} {} {11.HN} 8.28357 0.06571 0.09388 ++ {0.0} {} 61.1563987732 3.0115 -1 {} 0 631 {4.HA} 4.30220 0.01839 0.02627 ++ {0.0} {} {7.HN} 8.28563 0.05832 0.04108 ++ {0.0} {} 23.6849708557 2.4494 0 {} 0 632 {2.HB2} 2.28965 0.05750 0.08214 ++ {0.0} {} {2.HG2} 2.51243 0.05635 0.11816 ++ {0.0} {} 426.205291748 14.6766 0 {} 0 633 {9.HB2} 2.36044 0.06297 0.08996 ++ {0.0} {} {9.HG2} 2.52225 0.05008 0.09765 ++ {0.0} {} 377.298461914 13.2423 0 {} 0 634 {8.HB2} 2.34728 0.03559 0.05085 ++ {0.0} {} {8.HG1} 2.66803 0.05971 0.10388 ++ {0.0} {} 259.367279053 12.0761 0 {} 0 635 {8.HB1} 2.29493 0.08868 0.15255 ++ {0.0} {} {8.HG2} 2.66660 0.05432 0.11181 ++ {0.0} {} 797.140136719 20.5312 0 {} 0 636 {4.HB2} 2.19092 0.04655 0.06650 ++ {0.0} {} {4.HG2} 2.65183 0.06932 0.11558 ++ {0.0} {} 223.177185059 6.6102 0 {} 0 637 {1.HB2} 2.07228 0.02069 0.03121 ++ {0.0} {} {2.HG2} 2.53219 0.04248 0.09388 ++ {0.0} {} 68.0902481079 12.1982 0 {} 0 638 {7.HB} 2.07095 0.02104 0.04037 ++ {0.0} {} {8.HG1} 2.65905 0.07964 0.14034 ++ {0.0} {} 228.497879028 19.8540 0 {} 0 639 {2.HB1} 2.16206 0.04655 0.06650 ++ {0.0} {} {2.HG2} 2.50886 0.06932 0.11558 ++ {0.0} {} 311.560333252 11.3533 0 {} 0 640 {7.HB} 2.07727 0.03383 0.05621 ++ {0.0} {} {6.HN} 8.21148 0.09526 0.06725 ++ {0.0} {} 185.516479492 10.7832 0 {} 0 641 {16.HA} 4.26890 0.02193 0.02786 ++ {0.0} {} {16.HN} 7.65269 0.11218 0.08538 ++ {0.0} {} 0.0 1.8124 0 {} 0 642 {13.HA} 4.38476 0.01401 0.04616 ++ {0.0} {} {13.HN} 8.07735 0.04435 0.05759 ++ {0.0} {} 0.0 1.7021 0 {} 0 643 {13.HA} 4.37805 0.02541 0.02816 ++ {0.0} {} {16.HN} 7.67799 0.07953 0.08813 ++ {0.0} {} 0.0 1.3924 0 {} 0 644 {14.HA1} 3.78862 0.01839 0.04005 ++ {0.0} {} {13.HN} 8.09682 0.05832 0.06333 ++ {0.0} {} 0.0 2.8120 0 {} 0 645 {5.HD2} 3.23646 0.03227 0.03341 ++ {0.0} {} {6.HA} 4.09133 0.04831 0.04937 ++ {0.0} {} 0.0 9.0942 0 {} 0 646 {10.HB1} 1.62835 0.04112 0.05067 ++ {0.0} {} {13.HE1} 6.79017 0.07891 0.09428 ++ {0.0} {} 0.0 3.5770 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 . . 8012.820 ppm . . . 4.682 . . 30263 1 2 . . H 1 H . . 8012.820 ppm . . . 4.682 . . 30263 1 3 . . H 1 H . . 8012.820 ppm . . . 4.682 . . 30263 1 stop_ save_