data_30900 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30900 _Entry.Title ; LyeTx I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-29 _Entry.Accession_date 2021-04-29 _Entry.Last_release_date 2021-09-20 _Entry.Original_release_date 2021-09-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 R. Verly R. M. . . 30900 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 30900 'Antimicrobial peptide' . 30900 'Lycosa erythrognatha' . 30900 LyeTx . 30900 'Spider venom.' . 30900 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30900 spectral_peak_list 1 30900 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 105 30900 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 . . 2021-10-01 . original BMRB . 30900 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7MMM 'BMRB Entry Tracking System' 30900 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30900 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 19946788 _Citation.DOI 10.1007/s00726-009-0385-x _Citation.Full_citation . _Citation.Title ; LyeTx I, a potent antimicrobial peptide from the venom of the spider Lycosa erythrognatha ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Amino Acids' _Citation.Journal_name_full . _Citation.Journal_volume 39 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0939-4451 _Citation.Journal_CSD . _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 135 _Citation.Page_last 144 _Citation.Year 2010 _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 R. Verly R. M. . . 30900 1 2 M. Lima M. E. . . 30900 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30900 _Assembly.ID 1 _Assembly.Name 'Toxin LyeTx 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30900 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30900 _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 ; IWLTALKFLGKNLGKHLAKQ QLAKLX ; _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 26 _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 2837.517 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ILE . 30900 1 2 . TRP . 30900 1 3 . LEU . 30900 1 4 . THR . 30900 1 5 . ALA . 30900 1 6 . LEU . 30900 1 7 . LYS . 30900 1 8 . PHE . 30900 1 9 . LEU . 30900 1 10 . GLY . 30900 1 11 . LYS . 30900 1 12 . ASN . 30900 1 13 . LEU . 30900 1 14 . GLY . 30900 1 15 . LYS . 30900 1 16 . HIS . 30900 1 17 . LEU . 30900 1 18 . ALA . 30900 1 19 . LYS . 30900 1 20 . GLN . 30900 1 21 . GLN . 30900 1 22 . LEU . 30900 1 23 . ALA . 30900 1 24 . LYS . 30900 1 25 . LEU . 30900 1 26 . NH2 . 30900 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 . ILE 1 1 30900 1 . TRP 2 2 30900 1 . LEU 3 3 30900 1 . THR 4 4 30900 1 . ALA 5 5 30900 1 . LEU 6 6 30900 1 . LYS 7 7 30900 1 . PHE 8 8 30900 1 . LEU 9 9 30900 1 . GLY 10 10 30900 1 . LYS 11 11 30900 1 . ASN 12 12 30900 1 . LEU 13 13 30900 1 . GLY 14 14 30900 1 . LYS 15 15 30900 1 . HIS 16 16 30900 1 . LEU 17 17 30900 1 . ALA 18 18 30900 1 . LYS 19 19 30900 1 . GLN 20 20 30900 1 . GLN 21 21 30900 1 . LEU 22 22 30900 1 . ALA 23 23 30900 1 . LYS 24 24 30900 1 . LEU 25 25 30900 1 . NH2 26 26 30900 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 30900 _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 . 332789 organism . 'Lycosa erythrognatha' 'Wolf spider, Scaptocosa raptoria' . . Eukaryota Metazoa Lycosa erythrognatha . . . . . . . . . . . . . 30900 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 30900 _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' . . . . . . . . . . . . . . . . 30900 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 30900 _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 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _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 no _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 30900 NH2 N SMILES ACDLabs 10.04 30900 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 30900 NH2 [NH2] SMILES CACTVS 3.341 30900 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 30900 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 30900 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30900 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 30900 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 N N . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 30900 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 N N . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 30900 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 N N . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 30900 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 N N 1 . 30900 NH2 2 . SING N HN2 N N 2 . 30900 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30900 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM LyeTx I, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LyeTx I' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 30900 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 30900 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30900 1 pH 7 . pH 30900 1 pressure 1 . atm 30900 1 temperature 293 . K 30900 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30900 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30900 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30900 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30900 _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' . . 30900 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30900 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30900 _Software.ID 3 _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' . . 30900 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30900 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30900 _Software.ID 4 _Software.Type . _Software.Name 'PROCHECK / PROCHECK-NMR' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 30900 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30900 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30900 _Software.ID 5 _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' . . 30900 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30900 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30900 _Software.ID 6 _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' . . 30900 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30900 6 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 30900 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'triple-resonance (1H/13C/15N) gradient probe (5 mm diameter)]' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DRX spectrometer' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600.043 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 30900 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Avance DRX spectrometer' . 600.043 . . . 30900 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 30900 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30900 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30900 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30900 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30900 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 30900 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . Hz 0 internal direct 1.0 . . . . . 30900 1 H 1 DSS 'methyl protons' . . . . Hz 0 internal direct 1.0 . . . . . 30900 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 30900 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 30900 1 2 '2D 1H-1H NOESY' . . . 30900 1 3 '2D 1H-13C HSQC' . . . 30900 1 4 '2D 1H-15N HSQC' . . . 30900 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ILE H H 1 8.467 0.0 . 1 . . . . A 1 ILE H1 . 30900 1 2 . 1 . 1 1 1 ILE HA H 1 4.0059 0.0 . 1 . . . . A 1 ILE HA . 30900 1 3 . 1 . 1 1 1 ILE HB H 1 2.05914285714 0.0 . 1 . . . . A 1 ILE HB . 30900 1 4 . 1 . 1 1 1 ILE HG21 H 1 1.06642857143 0.0 . 1 . . . . A 1 ILE HG21 . 30900 1 5 . 1 . 1 1 1 ILE HG22 H 1 1.06642857143 0.0 . 1 . . . . A 1 ILE HG22 . 30900 1 6 . 1 . 1 1 1 ILE HG23 H 1 1.06642857143 0.0 . 1 . . . . A 1 ILE HG23 . 30900 1 7 . 1 . 1 1 1 ILE HD11 H 1 0.969666666667 0.0 . 1 . . . . A 1 ILE HD11 . 30900 1 8 . 1 . 1 1 1 ILE HD12 H 1 0.969666666667 0.0 . 1 . . . . A 1 ILE HD12 . 30900 1 9 . 1 . 1 1 1 ILE HD13 H 1 0.969666666667 0.0 . 1 . . . . A 1 ILE HD13 . 30900 1 10 . 1 . 1 2 2 TRP H H 1 8.31415384615 0.0 . 1 . . . . A 2 TRP H . 30900 1 11 . 1 . 1 2 2 TRP HA H 1 4.928 0.0 . 1 . . . . A 2 TRP HA . 30900 1 12 . 1 . 1 2 2 TRP HB2 H 1 3.369 0.0 . 2 . . . . A 2 TRP HB2 . 30900 1 13 . 1 . 1 2 2 TRP HE3 H 1 7.428 0.0 . 1 . . . . A 2 TRP HE3 . 30900 1 14 . 1 . 1 3 3 LEU H H 1 7.44992307692 0.0 . 1 . . . . A 3 LEU H . 30900 1 15 . 1 . 1 3 3 LEU HA H 1 4.0856 0.0 . 1 . . . . A 3 LEU HA . 30900 1 16 . 1 . 1 3 3 LEU HB2 H 1 1.4277 0.0 . 2 . . . . A 3 LEU HB2 . 30900 1 17 . 1 . 1 3 3 LEU HD21 H 1 0.8255 0.0 . 2 . . . . A 3 LEU HD21 . 30900 1 18 . 1 . 1 3 3 LEU HD22 H 1 0.8255 0.0 . 2 . . . . A 3 LEU HD22 . 30900 1 19 . 1 . 1 3 3 LEU HD23 H 1 0.8255 0.0 . 2 . . . . A 3 LEU HD23 . 30900 1 20 . 1 . 1 4 4 THR H H 1 7.448 0.0 . 1 . . . . A 4 THR H . 30900 1 21 . 1 . 1 4 4 THR HA H 1 3.864875 0.0 . 1 . . . . A 4 THR HA . 30900 1 22 . 1 . 1 4 4 THR HG21 H 1 1.25183333333 0.0 . 1 . . . . A 4 THR HG1 . 30900 1 23 . 1 . 1 4 4 THR HG22 H 1 1.25183333333 0.0 . 1 . . . . A 4 THR HG1 . 30900 1 24 . 1 . 1 4 4 THR HG23 H 1 1.25183333333 0.0 . 1 . . . . A 4 THR HG1 . 30900 1 25 . 1 . 1 5 5 ALA H H 1 7.32071428571 0.0 . 1 . . . . A 5 ALA H . 30900 1 26 . 1 . 1 5 5 ALA HA H 1 4.20866666667 0.0 . 1 . . . . A 5 ALA HA . 30900 1 27 . 1 . 1 6 6 LEU H H 1 7.69508333333 0.0 . 1 . . . . A 6 LEU H . 30900 1 28 . 1 . 1 6 6 LEU HA H 1 4.20333333333 0.0 . 1 . . . . A 6 LEU HA . 30900 1 29 . 1 . 1 6 6 LEU HB2 H 1 1.7315 0.0 . 2 . . . . A 6 LEU HB2 . 30900 1 30 . 1 . 1 6 6 LEU HD11 H 1 0.969666666667 0.0 . 2 . . . . A 6 LEU HD11 . 30900 1 31 . 1 . 1 6 6 LEU HD12 H 1 0.969666666667 0.0 . 2 . . . . A 6 LEU HD12 . 30900 1 32 . 1 . 1 6 6 LEU HD13 H 1 0.969666666667 0.0 . 2 . . . . A 6 LEU HD13 . 30900 1 33 . 1 . 1 7 7 LYS H H 1 8.04514285714 0.0 . 1 . . . . A 7 LYS H . 30900 1 34 . 1 . 1 7 7 LYS HA H 1 4.1027 0.0 . 1 . . . . A 7 LYS HA . 30900 1 35 . 1 . 1 7 7 LYS HG2 H 1 1.4532 0.0 . 2 . . . . A 7 LYS HG2 . 30900 1 36 . 1 . 1 8 8 PHE H H 1 8.07575 0.0 . 1 . . . . A 8 PHE H . 30900 1 37 . 1 . 1 8 8 PHE HA H 1 4.3564375 0.0 . 1 . . . . A 8 PHE HA . 30900 1 38 . 1 . 1 8 8 PHE HB2 H 1 3.2685 0.0 . 2 . . . . A 8 PHE HB2 . 30900 1 39 . 1 . 1 9 9 LEU H H 1 8.6974 0.0 . 1 . . . . A 9 LEU H . 30900 1 40 . 1 . 1 9 9 LEU HA H 1 4.445875 0.0 . 1 . . . . A 9 LEU HA . 30900 1 41 . 1 . 1 9 9 LEU HB2 H 1 1.76511111111 0.0 . 2 . . . . A 9 LEU HB2 . 30900 1 42 . 1 . 1 9 9 LEU HD11 H 1 1.01366666667 0.0 . 2 . . . . A 9 LEU HD11 . 30900 1 43 . 1 . 1 9 9 LEU HD12 H 1 1.01366666667 0.0 . 2 . . . . A 9 LEU HD12 . 30900 1 44 . 1 . 1 9 9 LEU HD13 H 1 1.01366666667 0.0 . 2 . . . . A 9 LEU HD13 . 30900 1 45 . 1 . 1 10 10 GLY H H 1 8.57911764706 0.0 . 1 . . . . A 10 GLY H . 30900 1 46 . 1 . 1 10 10 GLY HA2 H 1 3.87618181818 0.0 . 2 . . . . A 10 GLY HA2 . 30900 1 47 . 1 . 1 11 11 LYS H H 1 8.12252173913 0.0 . 1 . . . . A 11 LYS H . 30900 1 48 . 1 . 1 11 11 LYS HA H 1 4.23166666667 0.0 . 1 . . . . A 11 LYS HA . 30900 1 49 . 1 . 1 11 11 LYS HB2 H 1 1.9285 0.0 . 2 . . . . A 11 LYS HB2 . 30900 1 50 . 1 . 1 11 11 LYS HG2 H 1 1.54314285714 0.0 . 2 . . . . A 11 LYS HG2 . 30900 1 51 . 1 . 1 12 12 ASN H H 1 8.01064285714 0.0 . 1 . . . . A 12 ASN H . 30900 1 52 . 1 . 1 12 12 ASN HA H 1 4.56223076923 0.0 . 1 . . . . A 12 ASN HA . 30900 1 53 . 1 . 1 12 12 ASN HB2 H 1 2.733 0.0 . 2 . . . . A 12 ASN HB2 . 30900 1 54 . 1 . 1 13 13 LEU H H 1 8.79157142857 0.0 . 1 . . . . A 13 LEU H . 30900 1 55 . 1 . 1 13 13 LEU HA H 1 4.25155555556 0.0 . 1 . . . . A 13 LEU HA . 30900 1 56 . 1 . 1 13 13 LEU HD11 H 1 0.952571428571 0.0 . 2 . . . . A 13 LEU HD11 . 30900 1 57 . 1 . 1 13 13 LEU HD12 H 1 0.952571428571 0.0 . 2 . . . . A 13 LEU HD12 . 30900 1 58 . 1 . 1 13 13 LEU HD13 H 1 0.952571428571 0.0 . 2 . . . . A 13 LEU HD13 . 30900 1 59 . 1 . 1 14 14 GLY H H 1 8.467125 0.0 . 1 . . . . A 14 GLY H . 30900 1 60 . 1 . 1 14 14 GLY HA2 H 1 3.86736363636 0.0 . 2 . . . . A 14 GLY HA2 . 30900 1 61 . 1 . 1 15 15 LYS H H 1 7.95733333333 0.0 . 1 . . . . A 15 LYS H . 30900 1 62 . 1 . 1 15 15 LYS HA H 1 4.16875 0.0 . 1 . . . . A 15 LYS HA . 30900 1 63 . 1 . 1 15 15 LYS HB2 H 1 1.933 0.0 . 2 . . . . A 15 LYS HB2 . 30900 1 64 . 1 . 1 15 15 LYS HG2 H 1 1.5102 0.0 . 2 . . . . A 15 LYS HG2 . 30900 1 65 . 1 . 1 16 16 HIS H H 1 7.998125 0.0 . 1 . . . . A 16 HIS H . 30900 1 66 . 1 . 1 16 16 HIS HA H 1 4.37877777778 0.0 . 1 . . . . A 16 HIS HA . 30900 1 67 . 1 . 1 17 17 LEU H H 1 8.5384 0.0 . 1 . . . . A 17 LEU H . 30900 1 68 . 1 . 1 17 17 LEU HA H 1 4.21855555556 0.0 . 1 . . . . A 17 LEU HA . 30900 1 69 . 1 . 1 17 17 LEU HB2 H 1 1.65525 0.0 . 2 . . . . A 17 LEU HB2 . 30900 1 70 . 1 . 1 17 17 LEU HD11 H 1 0.968333333333 0.0 . 2 . . . . A 17 LEU HD11 . 30900 1 71 . 1 . 1 17 17 LEU HD12 H 1 0.968333333333 0.0 . 2 . . . . A 17 LEU HD12 . 30900 1 72 . 1 . 1 17 17 LEU HD13 H 1 0.968333333333 0.0 . 2 . . . . A 17 LEU HD13 . 30900 1 73 . 1 . 1 18 18 ALA H H 1 8.34613333333 0.0 . 1 . . . . A 18 ALA H . 30900 1 74 . 1 . 1 18 18 ALA HA H 1 3.141 0.0 . 1 . . . . A 18 ALA HA . 30900 1 75 . 1 . 1 18 18 ALA HB1 H 1 1.523 0.0 . 1 . . . . A 18 ALA HB1 . 30900 1 76 . 1 . 1 18 18 ALA HB2 H 1 1.523 0.0 . 1 . . . . A 18 ALA HB2 . 30900 1 77 . 1 . 1 18 18 ALA HB3 H 1 1.523 0.0 . 1 . . . . A 18 ALA HB3 . 30900 1 78 . 1 . 1 19 19 LYS H H 1 7.9945 0.0 . 1 . . . . A 19 LYS H . 30900 1 79 . 1 . 1 19 19 LYS HA H 1 4.03158333333 0.0 . 1 . . . . A 19 LYS HA . 30900 1 80 . 1 . 1 20 20 GLN H H 1 8.009 0.0 . 1 . . . . A 20 GLN H . 30900 1 81 . 1 . 1 20 20 GLN HA H 1 4.1255 0.0 . 1 . . . . A 20 GLN HA . 30900 1 82 . 1 . 1 20 20 GLN HG2 H 1 2.43442857143 0.0 . 2 . . . . A 20 GLN HG2 . 30900 1 83 . 1 . 1 21 21 GLN H H 1 8.09322222222 0.0 . 1 . . . . A 21 GLN H . 30900 1 84 . 1 . 1 21 21 GLN HA H 1 4.1925 0.0 . 1 . . . . A 21 GLN HA . 30900 1 85 . 1 . 1 21 21 GLN HB2 H 1 2.2366 0.0 . 2 . . . . A 21 GLN HB2 . 30900 1 86 . 1 . 1 22 22 LEU H H 1 8.26081818182 0.0 . 1 . . . . A 22 LEU H . 30900 1 87 . 1 . 1 22 22 LEU HA H 1 4.1994 0.0 . 1 . . . . A 22 LEU HA . 30900 1 88 . 1 . 1 22 22 LEU HB2 H 1 1.64875 0.0 . 2 . . . . A 22 LEU HB2 . 30900 1 89 . 1 . 1 22 22 LEU HD11 H 1 0.947857142857 0.0 . 2 . . . . A 22 LEU HD11 . 30900 1 90 . 1 . 1 22 22 LEU HD12 H 1 0.947857142857 0.0 . 2 . . . . A 22 LEU HD12 . 30900 1 91 . 1 . 1 22 22 LEU HD13 H 1 0.947857142857 0.0 . 2 . . . . A 22 LEU HD13 . 30900 1 92 . 1 . 1 23 23 ALA H H 1 8.01244444444 0.0 . 1 . . . . A 23 ALA H . 30900 1 93 . 1 . 1 23 23 ALA HA H 1 4.204 0.0 . 1 . . . . A 23 ALA HA . 30900 1 94 . 1 . 1 23 23 ALA HB1 H 1 1.554 0.0 . 1 . . . . A 23 ALA HB1 . 30900 1 95 . 1 . 1 23 23 ALA HB2 H 1 1.554 0.0 . 1 . . . . A 23 ALA HB2 . 30900 1 96 . 1 . 1 23 23 ALA HB3 H 1 1.554 0.0 . 1 . . . . A 23 ALA HB3 . 30900 1 97 . 1 . 1 24 24 LYS H H 1 7.68588888889 0.0 . 1 . . . . A 24 LYS H . 30900 1 98 . 1 . 1 24 24 LYS HA H 1 4.20083333333 0.0 . 1 . . . . A 24 LYS HA . 30900 1 99 . 1 . 1 24 24 LYS HG2 H 1 1.54785714286 0.0 . 2 . . . . A 24 LYS HG2 . 30900 1 100 . 1 . 1 25 25 LEU H H 1 7.80942857143 0.0 . 1 . . . . A 25 LEU H . 30900 1 101 . 1 . 1 25 25 LEU HA H 1 4.28875 0.0 . 1 . . . . A 25 LEU HA . 30900 1 102 . 1 . 1 25 25 LEU HB3 H 1 1.67328571429 0.0 . 2 . . . . A 25 LEU HB3 . 30900 1 103 . 1 . 1 25 25 LEU HD11 H 1 1.01225 0.0 . 2 . . . . A 25 LEU HD11 . 30900 1 104 . 1 . 1 25 25 LEU HD12 H 1 1.01225 0.0 . 2 . . . . A 25 LEU HD12 . 30900 1 105 . 1 . 1 25 25 LEU HD13 H 1 1.01225 0.0 . 2 . . . . A 25 LEU HD13 . 30900 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 30900 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 1Hi noesy_lyetx.nv {7183.91 } {7183.91 } {600.2230 } {600.2230 } 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 1Hi.L 1Hi.P 1Hi.W 1Hi.B 1Hi.E 1Hi.J 1Hi.U vol int stat comment flag0 0 {?} 7.686 0.033 0.073 ++ 0.000 {?} {?} 4.222 0.033 0.079 ++ 0.000 {?} 0.00000 11.47830 -1 {?} 0 1 {?} 7.209 0.030 0.065 ++ 0.000 {?} {?} 4.389 0.030 0.069 ++ 0.000 {?} 0.00000 4.39300 -1 {?} 0 2 {?} 6.069 0.029 0.040 ++ 0.000 {?} {?} 4.154 0.028 0.042 ++ 0.000 {?} 0.00000 0.39280 -1 {?} 0 3 {1.HT1} 8.467 0.034 0.042 ++ 0.000 {?} {1.HA} 4.050 0.034 0.069 ++ 0.000 {?} 5.58440 5.58440 0 {?} 0 4 {2.HN} 8.315 0.029 0.058 ++ 0.000 {?} {1.HA} 3.995 0.028 0.066 ++ 0.000 {?} 8.31520 8.31520 0 {?} 0 5 {2.HN} 8.315 0.028 0.028 ++ 0.000 {?} {2.HA} 4.929 0.029 0.028 ++ 0.000 {?} 0.33739 0.33740 0 {?} 0 6 {8.HN} 8.072 0.030 0.063 ++ 0.000 {?} {8.HA} 4.355 0.041 0.079 ++ 0.000 {?} 5.10139 5.10140 0 {?} 0 7 {12.HN} 8.012 0.034 0.055 ++ 0.000 {?} {12.HA} 4.563 0.042 0.071 ++ 0.000 {?} 2.93658 2.93660 0 {?} 0 8 {12.HB1} 2.762 0.057 0.065 ++ 0.000 {?} {9.HA} 4.155 0.028 0.078 ++ 0.000 {?} 1.53117 1.53120 0 {?} 0 9 {12.HB2} 2.720 0.057 0.062 ++ 0.000 {?} {9.HA} 4.155 0.028 0.079 ++ 0.000 {?} 1.90862 1.90860 0 {?} 0 10 {9.HN} 8.697 0.033 0.064 ++ 0.000 {?} {9.HA} 4.158 0.034 0.079 ++ 0.000 {?} 4.55313 4.55310 0 {?} 0 11 {9.HN} 8.697 0.030 0.044 ++ 0.000 {?} {8.HA} 4.355 0.039 0.065 ++ 0.000 {?} 1.45760 1.45760 0 {?} 0 12 {9.HN} 8.697 0.030 0.057 ++ 0.000 {?} {8.HN} 8.071 0.046 0.085 ++ 0.000 {?} 6.44077 6.44080 0 {?} 0 13 {8.HN} 8.072 0.029 0.060 ++ 0.000 {?} {9.HN} 8.697 0.035 0.076 ++ 0.000 {?} 4.54582 4.54580 0 {?} 0 14 {9.HN} 8.697 0.032 0.047 ++ 0.000 {?} {10.HN} 8.577 0.024 0.061 ++ 0.000 {?} 2.99769 2.99770 0 {?} 0 15 {10.HN} 8.580 0.032 0.051 ++ 0.000 {?} {9.HN} 8.701 0.033 0.054 ++ 0.000 {?} 3.67791 3.67790 0 {?} 0 16 {13.HN} 8.791 0.031 0.060 ++ 0.000 {?} {13.HA} 4.242 0.034 0.072 ++ 0.000 {?} 4.08649 4.08650 0 {?} 0 17 {13.HN} 8.791 0.031 0.033 ++ 0.000 {?} {12.HA} 4.563 0.042 0.047 ++ 0.000 {?} 1.14348 1.14350 0 {?} 0 18 {5.HN} 7.327 0.035 0.061 ++ 0.000 {?} {5.HA} 4.209 0.037 0.081 ++ 0.000 {?} 6.17714 6.17710 0 {?} 0 19 {8.HB1} 3.336 0.043 0.086 ++ 0.000 {?} {8.HA} 4.355 0.041 0.078 ++ 0.000 {?} 0.00000 3.47050 0 {?} 0 20 {8.HB2} 3.268 0.039 0.073 ++ 0.000 {?} {8.HA} 4.354 0.047 0.084 ++ 0.000 {?} 0.00000 3.86480 0 {?} 0 21 {8.HB1} 3.337 0.042 0.069 ++ 0.000 {?} {5.HA} 4.209 0.037 0.078 ++ 0.000 {?} 3.29965 3.29960 0 {?} 0 22 {8.HB2} 3.269 0.038 0.061 ++ 0.000 {?} {5.HA} 4.209 0.035 0.067 ++ 0.000 {?} 1.48430 1.48430 0 {?} 0 23 {16.HB1} 3.474 0.048 0.093 ++ 0.000 {?} {16.HA} 4.379 0.039 0.081 ++ 0.000 {?} 0.00000 2.78060 0 {?} 0 24 {16.HB1} 3.473 0.046 0.089 ++ 0.000 {?} {13.HA} 4.241 0.041 0.081 ++ 0.000 {?} 3.71250 3.71250 0 {?} 0 25 {15.HN} 7.954 0.032 0.054 ++ 0.000 {?} {15.HA} 4.166 0.039 0.082 ++ 0.000 {?} 6.84891 6.84890 0 {?} 0 26 {15.HN} 7.956 0.032 0.033 ++ 0.000 {?} {12.HA} 4.562 0.043 0.045 ++ 0.000 {?} 1.00712 1.00710 0 {?} 0 27 {4.HN} 7.425 0.028 0.059 ++ 0.000 {?} {4.HA} 3.855 0.030 0.080 ++ 0.000 {?} 11.72252 11.72250 0 {?} 0 28 {5.HN} 7.327 0.029 0.054 ++ 0.000 {?} {4.HA} 3.855 0.030 0.078 ++ 0.000 {?} 5.61388 5.61390 0 {?} 0 29 {7.HN} 8.068 0.015 0.056 ++ 0.000 {?} {7.HA} 4.096 0.036 0.078 ++ 0.000 {?} 7.90868 7.90870 0 {?} 0 30 {7.HN} 8.072 0.030 0.053 ++ 0.000 {?} {4.HA} 3.854 0.029 0.067 ++ 0.000 {?} 2.65289 2.65290 0 {?} 0 31 {3.HN} 7.455 0.029 0.060 ++ 0.000 {?} {3.HA} 4.026 0.045 0.083 ++ 0.000 {?} 6.81520 6.81520 0 {?} 0 32 {4.HN} 7.429 0.029 0.060 ++ 0.000 {?} {4.HA} 4.026 0.045 0.083 ++ 0.000 {?} 6.81520 6.81520 0 {?} 0 33 {5.HN} 7.328 0.030 0.038 ++ 0.000 {?} {3.HA} 4.024 0.036 0.052 ++ 0.000 {?} 0.70300 0.70300 0 {?} 0 34 {4.HN} 7.428 0.032 0.043 ++ 0.000 {?} {2.HA} 4.927 0.029 0.042 ++ 0.000 {?} 0.72660 0.72660 0 {?} 0 35 {3.HN} 7.460 0.032 0.043 ++ 0.000 {?} {3.HA} 4.934 0.029 0.042 ++ 0.000 {?} 0.72660 0.72660 0 {?} 0 36 {HNT2} 6.805 0.032 0.043 ++ 0.000 {?} {25.HA} 4.288 0.029 0.042 ++ 0.000 {?} 0.72660 0.72660 0 {?} 0 37 {3.HN} 7.456 0.023 0.037 ++ 0.000 {?} {2.HN} 8.313 0.026 0.057 ++ 0.000 {?} 0.96780 0.96780 0 {?} 0 38 {4.HN} 7.421 0.028 0.045 ++ 0.000 {?} {2.HN} 8.312 0.029 0.059 ++ 0.000 {?} 1.99210 1.99210 0 {?} 0 39 {2.HN} 8.314 0.027 0.045 ++ 0.000 {?} {3.HN} 7.455 0.043 0.048 ++ 0.000 {?} 2.57280 2.57280 0 {?} 0 40 {2.HN} 8.315 0.027 0.040 ++ 0.000 {?} {4.HN} 7.413 0.043 0.042 ++ 0.000 {?} 2.57280 2.57280 0 {?} 0 41 {9.HN} 8.697 0.029 0.064 ++ 0.000 {?} {9.HB1} 1.969 0.071 0.076 ++ 0.000 {?} 6.61160 6.61160 0 {?} 0 42 {9.HN} 8.697 0.029 0.061 ++ 0.000 {?} {9.HB2} 1.767 0.036 0.079 ++ 0.000 {?} 4.12220 4.12220 0 {?} 0 43 {10.HN} 8.579 0.034 0.067 ++ 0.000 {?} {11.HN} 8.121 0.062 0.078 ++ 0.000 {?} 4.47390 4.47390 0 {?} 0 44 {11.HN} 8.125 0.030 0.062 ++ 0.000 {?} {10.HN} 8.579 0.034 0.073 ++ 0.000 {?} 4.31720 4.31720 0 {?} 0 45 {11.HN} 8.127 0.027 0.033 ++ 0.000 {?} {9.HA} 8.699 0.027 0.033 ++ 0.000 {?} 0.54690 0.54690 0 {?} 0 46 {11.HN} 8.126 0.026 0.059 ++ 0.000 {?} {12.HN} 8.001 0.032 0.059 ++ 0.000 {?} 5.30280 5.30280 0 {?} 0 47 {11.HN} 8.129 0.034 0.058 ++ 0.000 {?} {11.HA} 4.233 0.031 0.067 ++ 0.000 {?} 6.34800 6.34800 0 {?} 0 48 {10.HN} 8.579 0.036 0.076 ++ 0.000 {?} {10.HA1} 3.981 0.047 0.088 ++ 0.000 {?} 7.00250 7.00250 0 {?} 0 49 {10.HN} 8.579 0.036 0.066 ++ 0.000 {?} {10.HA2} 3.881 0.037 0.092 ++ 0.000 {?} 5.47140 5.47140 0 {?} 0 50 {14.HN} 8.467 0.032 0.063 ++ 0.000 {?} {13.HN} 8.792 0.038 0.080 ++ 0.000 {?} 4.91550 4.91550 0 {?} 0 51 {13.HN} 8.791 0.035 0.066 ++ 0.000 {?} {14.HN} 8.466 0.042 0.082 ++ 0.000 {?} 4.94100 4.94100 0 {?} 0 52 {13.HN} 8.791 0.036 0.067 ++ 0.000 {?} {12.HN} 8.011 0.033 0.085 ++ 0.000 {?} 5.66300 5.66300 0 {?} 0 53 {12.HN} 8.012 0.034 0.066 ++ 0.000 {?} {13.HN} 8.791 0.036 0.078 ++ 0.000 {?} 6.21570 6.21570 0 {?} 0 54 {13.HN} 8.790 0.031 0.044 ++ 0.000 {?} {11.HN} 8.126 0.023 0.046 ++ 0.000 {?} 0.84550 0.84550 0 {?} 0 55 {11.HN} 8.126 0.031 0.042 ++ 0.000 {?} {13.HN} 8.791 0.033 0.052 ++ 0.000 {?} 0.88720 0.88720 0 {?} 0 56 {14.HN} 8.467 0.036 0.073 ++ 0.000 {?} {14.HA2} 3.863 0.053 0.087 ++ 0.000 {?} 6.89580 6.89580 1 {?} 0 57 {14.HN} 8.467 0.036 0.072 ++ 0.000 {?} {14.HA1} 3.992 0.034 0.080 ++ 0.000 {?} 7.42190 7.42190 0 {?} 0 58 {14.HN} 8.467 0.037 0.070 ++ 0.000 {?} {13.HA} 4.237 0.053 0.085 ++ 0.000 {?} 3.16120 3.16120 0 {?} 0 59 {13.HN} 8.791 0.031 0.049 ++ 0.000 {?} {10.HA1} 3.987 0.033 0.056 ++ 0.000 {?} 1.05410 1.05410 0 {?} 0 60 {13.HN} 8.791 0.031 0.051 ++ 0.000 {?} {10.HA2} 3.873 0.037 0.065 ++ 0.000 {?} 1.12500 1.12500 0 {?} 0 61 {17.HN} 8.535 0.032 0.058 ++ 0.000 {?} {17.HA} 4.213 0.054 0.084 ++ 0.000 {?} 5.98980 5.98980 0 {?} 0 62 {16.HN} 8.006 0.034 0.069 ++ 0.000 {?} {16.HA} 4.379 0.041 0.077 ++ 0.000 {?} 6.68470 6.68470 0 {?} 0 63 {17.HN} 8.536 0.032 0.051 ++ 0.000 {?} {16.HA} 4.379 0.037 0.062 ++ 0.000 {?} 1.71040 1.71040 0 {?} 0 64 {17.HN} 8.536 0.032 0.060 ++ 0.000 {?} {16.HN} 8.003 0.058 0.095 ++ 0.000 {?} 7.28180 7.28180 -1 {?} 0 65 {16.HN} 8.005 0.031 0.065 ++ 0.000 {?} {17.HN} 8.536 0.041 0.084 ++ 0.000 {?} 7.21370 7.21370 0 {?} 0 66 {17.HN} 8.536 0.031 0.059 ++ 0.000 {?} {18.HN} 8.345 0.031 0.066 ++ 0.000 {?} 5.70920 5.70920 0 {?} 0 67 {18.HN} 8.346 0.028 0.050 ++ 0.000 {?} {17.HN} 8.536 0.037 0.074 ++ 0.000 {?} 5.37310 5.37310 0 {?} 0 68 {18.HN} 8.346 0.030 0.063 ++ 0.000 {?} {18.HA} 4.197 0.039 0.086 ++ 0.000 {?} 9.67560 9.67560 0 {?} 0 69 {18.HN} 8.346 0.034 0.072 ++ 0.000 {?} {18.HA} 1.561 0.028 0.072 ++ 0.000 {?} 13.55240 13.55240 0 {?} 0 70 {2.HN} 8.315 0.032 0.054 ++ 0.000 {?} {2.HB1} 3.475 0.029 0.059 ++ 0.000 {?} 3.24290 3.24290 0 {?} 0 71 {2.HN} 8.315 0.027 0.049 ++ 0.000 {?} {2.HB2} 3.368 0.037 0.068 ++ 0.000 {?} 3.21050 3.21050 0 {?} 0 72 {17.HN} 8.535 0.033 0.062 ++ 0.000 {?} {16.HB1} 3.473 0.043 0.089 ++ 0.000 {?} 3.90900 3.90900 0 {?} 0 73 {16.HN} 8.005 0.032 0.069 ++ 0.000 {?} {16.HB1} 3.471 0.046 0.099 ++ 0.000 {?} 9.11710 9.11710 0 {?} 0 74 {9.HN} 8.697 0.029 0.055 ++ 0.000 {?} {8.HB1} 3.339 0.033 0.069 ++ 0.000 {?} 2.94230 2.94230 0 {?} 0 75 {9.HN} 8.697 0.029 0.048 ++ 0.000 {?} {8.HB2} 3.268 0.049 0.070 ++ 0.000 {?} 1.89010 1.89010 0 {?} 0 76 {8.HN} 8.072 0.035 0.064 ++ 0.000 {?} {8.HB1} 3.339 0.033 0.073 ++ 0.000 {?} 5.25980 5.25980 0 {?} 0 77 {8.HN} 8.072 0.035 0.066 ++ 0.000 {?} {8.HB2} 3.267 0.049 0.070 ++ 0.000 {?} 5.86150 5.86150 0 {?} 0 78 {6.HN} 7.697 0.029 0.054 ++ 0.000 {?} {5.HN} 7.325 0.037 0.082 ++ 0.000 {?} 6.78630 6.78630 0 {?} 0 79 {5.HN} 7.327 0.026 0.047 ++ 0.000 {?} {7.HN} 7.696 0.043 0.079 ++ 0.000 {?} 7.03150 7.03150 0 {?} 0 80 {6.HN} 7.698 0.031 0.054 ++ 0.000 {?} {7.HN} 8.070 0.051 0.083 ++ 0.000 {?} 6.38710 6.38710 0 {?} 0 81 {7.HN} 8.073 0.032 0.067 ++ 0.000 {?} {6.HN} 7.696 0.044 0.082 ++ 0.000 {?} 7.18660 7.18660 0 {?} 0 82 {18.HN} 8.346 0.029 0.058 ++ 0.000 {?} {19.HN} 8.003 0.040 0.087 ++ 0.000 {?} 7.86020 7.86020 0 {?} 0 83 {19.HN} 8.004 0.032 0.060 ++ 0.000 {?} {18.HN} 8.347 0.030 0.064 ++ 0.000 {?} 6.45050 6.45050 0 {?} 0 84 {15.HN} 7.956 0.032 0.061 ++ 0.000 {?} {14.HN} 8.466 0.052 0.086 ++ 0.000 {?} 4.62960 4.62960 0 {?} 0 85 {14.HN} 8.470 0.036 0.066 ++ 0.000 {?} {15.HN} 7.960 0.042 0.081 ++ 0.000 {?} 4.70900 4.70900 0 {?} 0 86 {13.HN} 8.791 0.033 0.043 ++ 0.000 {?} {9.HA} 4.149 0.027 0.037 ++ 0.000 {?} 0.85680 0.85680 0 {?} 0 87 {22.HN} 8.262 0.029 0.058 ++ 0.000 {?} {23.HN} 8.014 0.028 0.070 ++ 0.000 {?} 7.13020 7.13020 0 {?} 0 88 {21.HN} 8.094 0.027 0.046 ++ 0.000 {?} {22.HN} 8.261 0.031 0.060 ++ 0.000 {?} 6.08540 6.08540 0 {?} 0 89 {22.HN} 8.262 0.028 0.054 ++ 0.000 {?} {21.HN} 8.094 0.039 0.071 ++ 0.000 {?} 6.26210 6.26210 0 {?} 0 90 {23.HN} 8.017 0.028 0.051 ++ 0.000 {?} {22.HN} 8.260 0.030 0.060 ++ 0.000 {?} 6.80370 6.80370 0 {?} 0 91 {22.HN} 8.261 0.030 0.062 ++ 0.000 {?} {22.HA} 4.192 0.042 0.084 ++ 0.000 {?} 10.44470 10.44470 0 {?} 0 92 {23.HN} 8.013 0.030 0.064 ++ 0.000 {?} {23.HA} 4.204 0.067 0.079 ++ 0.000 {?} 16.96130 16.96130 0 {?} 0 93 {15.HN} 7.956 0.032 0.053 ++ 0.000 {?} {14.HA1} 3.992 0.031 0.086 ++ 0.000 {?} 2.29580 2.29580 0 {?} 0 94 {15.HN} 7.956 0.033 0.054 ++ 0.000 {?} {14.HA2} 3.862 0.052 0.077 ++ 0.000 {?} 1.99850 1.99850 0 {?} 0 95 {23.HN} 8.017 0.032 0.060 ++ 0.000 {?} {24.HN} 7.681 0.028 0.064 ++ 0.000 {?} 6.15020 6.15020 0 {?} 0 96 {24.HN} 7.683 0.027 0.048 ++ 0.000 {?} {23.HN} 8.021 0.060 0.086 ++ 0.000 {?} 5.67250 5.67250 0 {?} 0 97 {6.HN} 7.695 0.038 0.071 ++ 0.000 {?} {6.HA} 4.203 0.051 0.092 ++ 0.000 {?} 13.73650 13.73650 0 {?} 0 98 {24.HN} 7.678 0.038 0.074 ++ 0.000 {?} {24.HA} 4.214 0.051 0.092 ++ 0.000 {?} 13.73650 13.73650 0 {?} 0 99 {22.HN} 8.262 0.030 0.054 ++ 0.000 {?} {19.HA} 4.039 0.025 0.061 ++ 0.000 {?} 1.86680 1.86680 0 {?} 0 100 {19.HN} 8.006 0.033 0.069 ++ 0.000 {?} {19.HA} 4.036 0.029 0.071 ++ 0.000 {?} 8.51140 8.51140 0 {?} 0 101 {6.HN} 7.696 0.032 0.052 ++ 0.000 {?} {3.HA} 4.026 0.039 0.070 ++ 0.000 {?} 1.91040 1.91040 0 {?} 0 102 {4.HN} 7.697 0.033 0.045 ++ 0.000 {?} {4.HA} 3.855 0.030 0.044 ++ 0.000 {?} 1.09170 1.09170 0 {?} 0 103 {20.HN} 8.013 0.030 0.085 ++ 0.000 {?} {20.HA} 4.190 0.067 0.117 ++ 0.000 {?} 16.96130 16.96130 -1 {?} 0 104 {20.HN} 8.011 0.035 0.063 ++ 0.000 {?} {20.HA} 4.125 0.049 0.070 ++ 0.000 {?} 6.91710 6.91710 0 {?} 0 105 {25.HN} 7.809 0.031 0.048 ++ 0.000 {?} {24.HN} 7.679 0.026 0.052 ++ 0.000 {?} 5.75870 5.75870 0 {?} 0 106 {24.HN} 7.683 0.022 0.037 ++ 0.000 {?} {25.HN} 7.813 0.028 0.049 ++ 0.000 {?} 4.82540 4.82540 0 {?} 0 107 {25.HN} 7.808 0.029 0.055 ++ 0.000 {?} {25.HA} 4.287 0.060 0.088 ++ 0.000 {?} 5.23630 5.23630 0 {?} 0 108 {25.HN} 7.809 0.029 0.054 ++ 0.000 {?} {24.HA} 4.203 0.042 0.070 ++ 0.000 {?} 3.22440 3.22440 0 {?} 0 109 {11.HN} 8.126 0.035 0.049 ++ 0.000 {?} {8.HA} 4.356 0.034 0.065 ++ 0.000 {?} 1.38780 1.38780 0 {?} 0 110 {11.HN} 8.123 0.032 0.040 ++ 0.000 {?} {7.HA} 4.110 0.033 0.057 ++ 0.000 {?} 7.90870 7.90870 0 {?} 0 111 {11.HN} 8.125 0.032 0.049 ++ 0.000 {?} {10.HA1} 3.981 0.048 0.081 ++ 0.000 {?} 2.40930 2.40930 0 {?} 0 112 {11.HN} 8.125 0.031 0.051 ++ 0.000 {?} {10.HA2} 3.881 0.036 0.076 ++ 0.000 {?} 1.78920 1.78920 0 {?} 0 113 {18.HN} 8.345 0.030 0.033 ++ 0.000 {?} {14.HA2} 3.861 0.048 0.053 ++ 0.000 {?} 0.62420 0.62420 0 {?} 0 114 {17.HN} 8.539 0.036 0.044 ++ 0.000 {?} {14.HA2} 3.861 0.037 0.073 ++ 0.000 {?} 5.47140 5.47140 0 {?} 0 115 {17.HN} 8.539 0.036 0.040 ++ 0.000 {?} {14.HA1} 3.993 0.047 0.052 ++ 0.000 {?} 7.00250 7.00250 0 {?} 0 116 {HNT1} 7.263 0.025 0.032 ++ 0.000 {?} {25.HA} 4.289 0.061 0.073 ++ 0.000 {?} 1.06020 1.06020 0 {?} 0 117 {HNT1} 7.264 0.030 0.044 ++ 0.000 {?} {24.HA} 4.192 0.046 0.073 ++ 0.000 {?} 1.48850 1.48850 0 {?} 0 118 {HNT2} 6.804 0.028 0.036 ++ 0.000 {?} {24.HA} 4.190 0.052 0.066 ++ 0.000 {?} 0.87230 0.87230 0 {?} 0 119 {HNT1} 7.263 0.032 0.062 ++ 0.000 {?} {HNT2} 6.805 0.035 0.079 ++ 0.000 {?} 52.82850 52.82850 0 {?} 0 120 {HNT2} 6.805 0.028 0.060 ++ 0.000 {?} {HNT1} 7.262 0.028 0.071 ++ 0.000 {?} 48.29170 48.29170 0 {?} 0 121 {25.HN} 7.809 0.029 0.054 ++ 0.000 {?} {HNT1} 7.261 0.028 0.061 ++ 0.000 {?} 4.14810 4.14810 0 {?} 0 122 {25.HN} 7.809 0.028 0.048 ++ 0.000 {?} {HNT2} 6.805 0.035 0.069 ++ 0.000 {?} 2.39330 2.39330 0 {?} 0 123 {HNT1} 7.262 0.027 0.050 ++ 0.000 {?} {25.HN} 7.809 0.032 0.068 ++ 0.000 {?} 4.10650 4.10650 0 {?} 0 124 {HNT2} 6.805 0.029 0.048 ++ 0.000 {?} {25.HN} 7.809 0.033 0.065 ++ 0.000 {?} 2.25380 2.25380 0 {?} 0 125 {3.HN} 7.456 0.018 0.035 ++ 0.000 {?} {2.HB1} 3.476 0.029 0.057 ++ 0.000 {?} 0.66370 0.66370 0 {?} 0 126 {4.HN} 7.421 0.027 0.041 ++ 0.000 {?} {2.HB1} 3.475 0.029 0.053 ++ 0.000 {?} 2.12640 2.12640 0 {?} 0 127 {3.HN} 7.456 0.018 0.031 ++ 0.000 {?} {2.HB2} 3.368 0.038 0.056 ++ 0.000 {?} 0.70110 0.70110 0 {?} 0 128 {4.HN} 7.422 0.027 0.042 ++ 0.000 {?} {2.HB2} 3.368 0.037 0.065 ++ 0.000 {?} 2.10770 2.10770 0 {?} 0 129 {18.HN} 8.348 0.028 0.027 ++ 0.000 {?} {16.HA} 4.379 0.029 0.023 ++ 0.000 {?} 0.40940 0.40940 0 {?} 0 130 {14.HN} 8.466 0.030 0.033 ++ 0.000 {?} {12.HA} 4.563 0.044 0.036 ++ 0.000 {?} 0.33990 0.33990 0 {?} 0 131 {10.HN} 8.578 0.036 0.041 ++ 0.000 {?} {9.HA} 4.357 0.031 0.050 ++ 0.000 {?} 0.36560 0.36560 0 {?} 0 132 {19.HN} 8.007 0.036 0.049 ++ 0.000 {?} {14.HA2} 3.866 0.038 0.056 ++ 0.000 {?} 0.82230 0.82230 0 {?} 0 133 {8.HN} 8.070 0.029 0.038 ++ 0.000 {?} {10.HN} 8.576 0.020 0.048 ++ 0.000 {?} 0.72250 0.72250 0 {?} 0 134 {10.HN} 8.579 0.034 0.066 ++ 0.000 {?} {8.HN} 8.121 0.062 0.091 ++ 0.000 {?} 4.47390 4.47390 -1 {?} 0 135 {10.HN} 8.585 0.032 0.036 ++ 0.000 {?} {12.HN} 8.013 0.058 0.060 ++ 0.000 {?} 7.28180 7.28180 0 {?} 0 136 {17.HN} 8.536 0.032 0.067 ++ 0.000 {?} {16.HN} 8.003 0.058 0.084 ++ 0.000 {?} 7.28180 7.28180 0 {?} 0 137 {14.HN} 8.467 0.036 0.035 ++ 0.000 {?} {12.HN} 8.020 0.042 0.032 ++ 0.000 {?} 4.70900 4.70900 0 {?} 0 138 {12.HN} 8.017 0.020 0.028 ++ 0.000 {?} {14.HN} 8.474 0.020 0.018 ++ 0.000 {?} 0.40930 0.40930 0 {?} 0 139 {24.HN} 7.684 0.025 0.032 ++ 0.000 {?} {22.HN} 8.262 0.027 0.036 ++ 0.000 {?} 0.69260 0.69260 0 {?} 0 140 {22.HN} 8.262 0.030 0.044 ++ 0.000 {?} {24.HN} 7.683 0.028 0.040 ++ 0.000 {?} 0.81100 0.81100 0 {?} 0 141 {7.HN} 8.072 0.030 0.056 ++ 0.000 {?} {5.HN} 7.309 0.035 0.099 ++ 0.000 {?} 0.00000 2.36440 0 {?} 0 142 {5.HN} 7.305 0.034 0.050 ++ 0.000 {?} {7.HN} 8.071 0.045 0.078 ++ 0.000 {?} 0.00000 2.10850 0 {?} 0 143 {15.HN} 7.953 0.027 0.038 ++ 0.000 {?} {11.HA} 4.236 0.057 0.050 ++ 0.000 {?} 0.51830 0.51830 0 {?} 0 144 {?} 7.300 0.032 0.061 ++ 0.000 {?} {?} 4.354 0.039 0.079 ++ 0.000 {?} 0.00000 6.96120 0 {?} 0 145 {13.HN} 8.791 0.031 0.060 ++ 0.000 {?} {12.HB2} 2.741 0.069 0.111 ++ 0.000 {?} 0.00000 3.09130 0 {?} 0 146 {22.HN} 8.261 0.030 0.046 ++ 0.000 {?} {21.HG1} 2.498 0.031 0.076 ++ 0.000 {?} 0.00000 1.28000 0 {?} 0 147 {22.HN} 8.261 0.030 0.052 ++ 0.000 {?} {20.HB1} 2.305 0.070 0.093 ++ 0.000 {?} 0.00000 2.42510 0 {?} 0 148 {22.HN} 8.262 0.030 0.054 ++ 0.000 {?} {21.HB2} 2.232 0.037 0.078 ++ 0.000 {?} 0.00000 1.74550 0 {?} 0 149 {2.HN} 8.314 0.026 0.046 ++ 0.000 {?} {1.HB} 2.060 0.042 0.081 ++ 0.000 {?} 0.00000 2.46430 0 {?} 0 150 {18.HN} 8.346 0.029 0.044 ++ 0.000 {?} {17.HB1} 1.970 0.060 0.087 ++ 0.000 {?} 0.00000 3.59190 0 {?} 0 151 {22.HN} 8.261 0.030 0.056 ++ 0.000 {?} {22.HB1} 1.882 0.062 0.105 ++ 0.000 {?} 0.00000 8.55080 0 {?} 0 152 {14.HN} 8.467 0.033 0.057 ++ 0.000 {?} {13.HB1} 1.832 0.041 0.085 ++ 0.000 {?} 0.00000 4.10940 0 {?} 0 153 {?} 8.535 0.032 0.055 ++ 0.000 {?} {?} 1.858 0.038 0.071 ++ 0.000 {?} 4.90724 4.90720 0 {?} 0 154 {17.HN} 8.536 0.032 0.054 ++ 0.000 {?} {17.HB1} 1.966 0.049 0.085 ++ 0.000 {?} 4.80430 4.80430 0 {?} 0 155 {17.HN} 8.578 0.032 0.068 ++ 0.000 {?} {17.HB1} 1.978 0.075 0.103 ++ 0.000 {?} 0.00000 2.59350 0 {?} 0 156 {21.HN} 8.094 0.031 0.058 ++ 0.000 {?} {21.HG1} 2.499 0.032 0.087 ++ 0.000 {?} 0.00000 5.84080 0 {?} 0 157 {20.HN} 8.009 0.031 0.056 ++ 0.000 {?} {20.HG1} 2.519 0.033 0.081 ++ 0.000 {?} 0.00000 2.91440 0 {?} 0 158 {20.HN} 8.010 0.031 0.050 ++ 0.000 {?} {20.HG2} 2.434 0.040 0.071 ++ 0.000 {?} 0.00000 1.19250 0 {?} 0 159 {12.HN} 8.012 0.033 0.059 ++ 0.000 {?} {12.HB1} 2.744 0.063 0.106 ++ 0.000 {?} 0.00000 4.41460 0 {?} 0 160 {20.HN} 8.009 0.031 0.059 ++ 0.000 {?} {20.HB1} 2.257 0.045 0.086 ++ 0.000 {?} 0.00000 9.73680 0 {?} 0 161 {21.HN} 8.094 0.031 0.051 ++ 0.000 {?} {21.HB1} 2.286 0.070 0.103 ++ 0.000 {?} 0.00000 6.13910 0 {?} 0 162 {21.HN} 8.094 0.031 0.054 ++ 0.000 {?} {21.HB2} 2.250 0.070 0.070 ++ 0.000 {?} 0.00000 5.57530 0 {?} 0 163 {11.HN} 8.125 0.034 0.066 ++ 0.000 {?} {11.HB1} 2.016 0.035 0.076 ++ 0.000 {?} 0.00000 6.64770 0 {?} 0 164 {11.HN} 8.125 0.031 0.053 ++ 0.000 {?} {11.HD1} 1.926 0.043 0.075 ++ 0.000 {?} 0.00000 4.53060 0 {?} 0 165 {8.HN} 8.073 0.032 0.063 ++ 0.000 {?} {6.HB1} 1.879 0.045 0.086 ++ 0.000 {?} 0.00000 8.20400 0 {?} 0 166 {11.HN} 8.073 0.033 0.067 ++ 0.000 {?} {11.HB1} 1.988 0.045 0.085 ++ 0.000 {?} 9.42660 9.42660 0 {?} 0 167 {23.HN} 8.007 0.019 0.045 ++ 0.000 {?} {22.HB1} 1.858 0.018 0.077 ++ 0.000 {?} 0.00000 23.42000 0 {?} 0 168 {15.HN} 7.956 0.033 0.054 ++ 0.000 {?} {15.HD1} 1.930 0.070 0.081 ++ 0.000 {?} 0.00000 3.86230 0 {?} 0 169 {19.HN} 7.954 0.032 0.052 ++ 0.000 {?} {19.HB1} 2.012 0.037 0.083 ++ 0.000 {?} 0.00000 4.33440 0 {?} 0 170 {19.HN} 8.006 0.022 0.068 ++ 0.000 {?} {19.HB1} 1.993 0.019 0.103 ++ 0.000 {?} 0.00000 2.52970 1 {?} 0 171 {25.HN} 7.809 0.028 0.060 ++ 0.000 {?} {25.HB1} 1.896 0.069 0.101 ++ 0.000 {?} 0.00000 5.56080 0 {?} 0 172 {25.HN} 7.809 0.029 0.042 ++ 0.000 {?} {24.HB1} 2.017 0.043 0.063 ++ 0.000 {?} 0.00000 2.94080 0 {?} 0 173 {24.HN} 7.684 0.030 0.057 ++ 0.000 {?} {24.HB1} 2.014 0.047 0.084 ++ 0.000 {?} 0.00000 10.16000 0 {?} 0 174 {6.HN} 7.696 0.031 0.062 ++ 0.000 {?} {6.HB1} 1.885 0.043 0.084 ++ 0.000 {?} 0.00000 5.82980 0 {?} 0 175 {24.HN} 7.696 0.032 0.047 ++ 0.000 {?} {24.HD1} 1.807 0.070 0.070 ++ 0.000 {?} 0.00000 3.13510 0 {?} 0 176 {10.HN} 8.579 0.034 0.055 ++ 0.000 {?} {9.HB2} 1.766 0.039 0.079 ++ 0.000 {?} 0.00000 2.27170 0 {?} 0 177 {17.HN} 8.536 0.032 0.048 ++ 0.000 {?} {17.HB2} 1.654 0.032 0.055 ++ 0.000 {?} 0.00000 2.46020 0 {?} 0 178 {?} 8.791 0.032 0.040 ++ 0.000 {?} {?} 1.755 0.037 0.067 ++ 0.000 {?} 0.00000 2.16510 0 {?} 0 179 {13.HN} 8.791 0.031 0.073 ++ 0.000 {?} {13.HB1} 1.832 0.041 0.094 ++ 0.000 {?} 0.00000 7.59900 0 {?} 0 180 {?} 8.535 0.023 0.045 ++ 0.000 {?} {?} 1.555 0.027 0.051 ++ 0.000 {?} 0.00000 0.97720 0 {?} 0 181 {18.HN} 8.346 0.029 0.049 ++ 0.000 {?} {17.HB2} 1.663 0.032 0.061 ++ 0.000 {?} 0.00000 2.21100 0 {?} 0 182 {22.HN} 8.261 0.030 0.048 ++ 0.000 {?} {22.HB2} 1.646 0.039 0.073 ++ 0.000 {?} 0.00000 4.43840 0 {?} 0 183 {22.HN} 8.261 0.031 0.047 ++ 0.000 {?} {18.HA} 1.554 0.030 0.061 ++ 0.000 {?} 1.23030 1.23030 0 {?} 0 184 {11.HN} 8.128 0.026 0.045 ++ 0.000 {?} {11.HG2} 1.540 0.034 0.071 ++ 0.000 {?} 0.00000 1.39390 0 {?} 0 185 {7.HN} 8.073 0.031 0.051 ++ 0.000 {?} {7.HG2} 1.425 0.038 0.079 ++ 0.000 {?} 0.00000 1.87830 0 {?} 0 186 {7.HN} 8.075 0.036 0.049 ++ 0.000 {?} {7.HG1} 1.570 0.052 0.084 ++ 0.000 {?} 0.00000 2.62740 0 {?} 0 187 {11.HN} 8.124 0.038 0.058 ++ 0.000 {?} {11.HG1} 1.640 0.048 0.076 ++ 0.000 {?} 0.00000 2.04820 0 {?} 0 188 {7.HN} 8.073 0.031 0.055 ++ 0.000 {?} {6.HB2} 1.733 0.065 0.101 ++ 0.000 {?} 0.00000 2.16720 0 {?} 0 189 {11.HN} 8.125 0.033 0.042 ++ 0.000 {?} {9.HB2} 1.757 0.043 0.074 ++ 0.000 {?} 0.00000 0.99530 0 {?} 0 190 {19.HN} 8.008 0.033 0.049 ++ 0.000 {?} {19.HD1} 1.754 0.031 0.076 ++ 0.000 {?} 0.00000 2.18800 0 {?} 0 191 {19.HN} 8.009 0.034 0.058 ++ 0.000 {?} {19.HG1} 1.659 0.039 0.084 ++ 0.000 {?} 0.00000 4.18520 0 {?} 0 192 {12.HN} 8.013 0.032 0.068 ++ 0.000 {?} {11.HG2} 1.556 0.032 0.091 ++ 0.000 {?} 0.00000 15.51630 0 {?} 0 193 {15.HN} 7.956 0.035 0.041 ++ 0.000 {?} {15.HG2} 1.505 0.051 0.060 ++ 0.000 {?} 0.00000 1.60220 0 {?} 0 194 {15.HN} 7.956 0.033 0.044 ++ 0.000 {?} {15.HG1} 1.680 0.043 0.092 ++ 0.000 {?} 0.00000 2.63180 0 {?} 0 195 {19.HN} 7.956 0.033 0.044 ++ 0.000 {?} {19.HD1} 1.755 0.039 0.068 ++ 0.000 {?} 0.00000 1.24340 0 {?} 0 196 {25.HN} 7.809 0.029 0.055 ++ 0.000 {?} {25.HB2} 1.682 0.036 0.079 ++ 0.000 {?} 0.00000 3.39220 0 {?} 0 197 {25.HN} 7.810 0.020 0.044 ++ 0.000 {?} {24.HG2} 1.554 0.029 0.056 ++ 0.000 {?} 0.00000 0.87370 0 {?} 0 198 {24.HN} 7.687 0.037 0.077 ++ 0.000 {?} {24.HG2} 1.560 0.028 0.089 ++ 0.000 {?} 0.00000 9.09070 0 {?} 0 199 {24.HN} 7.682 0.029 0.039 ++ 0.000 {?} {24.HG1} 1.681 0.071 0.084 ++ 0.000 {?} 0.00000 2.44150 0 {?} 0 200 {24.HN} 7.698 0.028 0.057 ++ 0.000 {?} {24.HD1} 1.739 0.061 0.079 ++ 0.000 {?} 0.00000 3.36510 0 {?} 0 201 {3.HN} 7.453 0.020 0.051 ++ 0.000 {?} {3.HB1} 1.541 0.037 0.067 ++ 0.000 {?} 0.00000 4.10480 0 {?} 0 202 {3.HN} 7.456 0.029 0.054 ++ 0.000 {?} {3.HB2} 1.430 0.047 0.082 ++ 0.000 {?} 0.00000 10.59440 0 {?} 0 203 {3.HN} 7.426 0.029 0.044 ++ 0.000 {?} {3.HB1} 1.550 0.051 0.080 ++ 0.000 {?} 0.00000 3.22220 0 {?} 0 204 {5.HN} 7.327 0.030 0.066 ++ 0.000 {?} {3.HB1} 1.562 0.028 0.084 ++ 0.000 {?} 0.00000 11.46870 0 {?} 0 205 {13.HN} 8.791 0.031 0.055 ++ 0.000 {?} {13.HD11} 0.969 0.057 0.094 ++ 0.000 {?} 0.00000 1.80460 0 {?} 0 206 {9.HN} 8.697 0.029 0.044 ++ 0.000 {?} {9.HD11} 1.013 0.042 0.068 ++ 0.000 {?} 0.00000 3.13300 0 {?} 0 207 {?} 8.579 0.033 0.034 ++ 0.000 {?} {?} 1.010 0.055 0.057 ++ 0.000 {?} 1.54385 1.54380 0 {?} 0 208 {17.HN} 8.535 0.032 0.050 ++ 0.000 {?} {17.HD11} 0.963 0.051 0.078 ++ 0.000 {?} 0.00000 4.47000 0 {?} 0 209 {14.HN} 8.466 0.031 0.045 ++ 0.000 {?} {13.HD11} 0.967 0.052 0.081 ++ 0.000 {?} 0.00000 1.30630 0 {?} 0 210 {18.HN} 8.346 0.030 0.035 ++ 0.000 {?} {17.HD11} 0.961 0.042 0.052 ++ 0.000 {?} 0.00000 1.83670 0 {?} 0 211 {22.HN} 8.261 0.029 0.045 ++ 0.000 {?} {22.HD11} 0.944 0.037 0.064 ++ 0.000 {?} 0.00000 3.76460 0 {?} 0 212 {23.HN} 8.009 0.033 0.051 ++ 0.000 {?} {22.HD11} 0.955 0.045 0.086 ++ 0.000 {?} 0.00000 1.73540 0 {?} 0 213 {25.HN} 7.809 0.028 0.045 ++ 0.000 {?} {22.HD11} 0.941 0.049 0.074 ++ 0.000 {?} 0.00000 1.81590 0 {?} 0 214 {6.HN} 7.695 0.030 0.055 ++ 0.000 {?} {6.HD11} 0.981 0.070 0.076 ++ 0.000 {?} 0.00000 1.53300 0 {?} 0 215 {4.HN} 7.425 0.029 0.047 ++ 0.000 {?} {4.HG1} 1.253 0.028 0.074 ++ 0.000 {?} 0.00000 2.47130 0 {?} 0 216 {?} 7.348 0.025 0.033 ++ 0.000 {?} {?} 0.965 0.059 0.075 ++ 0.000 {?} 0.00000 2.50150 0 {?} 0 217 {?} 7.300 0.029 0.040 ++ 0.000 {?} {?} 1.013 0.039 0.059 ++ 0.000 {?} 0.00000 2.65860 0 {?} 0 218 {5.HN} 7.325 0.038 0.058 ++ 0.000 {?} {4.HG1} 1.252 0.028 0.063 ++ 0.000 {?} 0.00000 1.06270 0 {?} 0 219 {?} 4.563 0.033 0.036 ++ 0.000 {?} {?} 8.791 0.037 0.041 ++ 0.000 {?} 0.00000 1.65860 0 {?} 0 220 {12.HA} 4.562 0.033 0.062 ++ 0.000 {?} {12.HN} 8.009 0.041 0.084 ++ 0.000 {?} 0.00000 4.13760 0 {?} 0 221 {?} 4.823 0.045 0.070 ++ 0.000 {?} {?} 8.007 0.041 0.081 ++ 0.000 {?} 0.00000 3.21710 0 {?} 0 222 {16.HA} 4.380 0.035 0.060 ++ 0.000 {?} {16.HN} 8.003 0.040 0.082 ++ 0.000 {?} 0.00000 7.36250 0 {?} 0 223 {8.HA} 4.354 0.033 0.057 ++ 0.000 {?} {8.HN} 8.072 0.050 0.081 ++ 0.000 {?} 0.00000 3.30770 0 {?} 0 224 {25.HA} 4.289 0.036 0.056 ++ 0.000 {?} {25.HN} 7.809 0.035 0.068 ++ 0.000 {?} 0.00000 5.57760 0 {?} 0 225 {6.HA} 4.211 0.051 0.084 ++ 0.000 {?} {6.HN} 7.691 0.035 0.074 ++ 0.000 {?} 0.00000 8.57750 0 {?} 0 226 {23.HA} 4.223 0.020 0.045 ++ 0.000 {?} {25.HN} 7.811 0.034 0.045 ++ 0.000 {?} 0.00000 2.24470 0 {?} 0 227 {24.HA} 4.190 0.036 0.046 ++ 0.000 {?} {25.HN} 7.809 0.031 0.044 ++ 0.000 {?} 0.00000 2.57480 0 {?} 0 228 {3.HA} 4.027 0.032 0.053 ++ 0.000 {?} {6.HN} 7.691 0.039 0.076 ++ 0.000 {?} 0.00000 1.98640 0 {?} 0 229 {4.HA} 3.853 0.031 0.045 ++ 0.000 {?} {6.HN} 7.695 0.042 0.058 ++ 0.000 {?} 0.00000 1.36740 0 {?} 0 230 {14.HA2} 3.867 0.037 0.064 ++ 0.000 {?} {16.HN} 7.957 0.043 0.076 ++ 0.000 {?} 0.00000 1.64310 0 {?} 0 231 {19.HA} 3.992 0.043 0.055 ++ 0.000 {?} {19.HN} 7.955 0.042 0.063 ++ 0.000 {?} 0.00000 1.92680 0 {?} 0 232 {19.HA} 4.039 0.032 0.057 ++ 0.000 {?} {19.HN} 8.004 0.037 0.077 ++ 0.000 {?} 0.00000 8.33510 0 {?} 0 233 {10.HA1} 3.978 0.041 0.068 ++ 0.000 {?} {11.HN} 8.123 0.035 0.076 ++ 0.000 {?} 0.00000 2.41650 0 {?} 0 234 {10.HA2} 3.887 0.040 0.057 ++ 0.000 {?} {11.HN} 8.122 0.035 0.068 ++ 0.000 {?} 0.00000 1.73740 0 {?} 0 235 {4.HA} 3.852 0.028 0.040 ++ 0.000 {?} {7.HN} 8.072 0.045 0.074 ++ 0.000 {?} 0.00000 3.31120 0 {?} 0 236 {14.HA2} 3.867 0.038 0.062 ++ 0.000 {?} {14.HN} 8.466 0.043 0.079 ++ 0.000 {?} 0.00000 6.20960 0 {?} 0 237 {1.HA} 3.993 0.026 0.051 ++ 0.000 {?} {2.HN} 8.314 0.027 0.081 ++ 0.000 {?} 0.00000 5.72360 0 {?} 0 238 {22.HA} 4.192 0.034 0.058 ++ 0.000 {?} {22.HN} 8.259 0.038 0.074 ++ 0.000 {?} 0.00000 9.69790 0 {?} 0 239 {17.HA} 4.200 0.042 0.073 ++ 0.000 {?} {18.HN} 8.347 0.032 0.065 ++ 0.000 {?} 0.00000 7.00050 0 {?} 0 240 {13.HA} 4.240 0.034 0.045 ++ 0.000 {?} {14.HN} 8.466 0.046 0.072 ++ 0.000 {?} 0.00000 2.51140 0 {?} 0 241 {17.HA} 4.213 0.040 0.069 ++ 0.000 {?} {17.HN} 8.538 0.054 0.085 ++ 0.000 {?} 0.00000 4.84240 0 {?} 0 242 {16.HA} 4.380 0.034 0.053 ++ 0.000 {?} {17.HN} 8.536 0.042 0.071 ++ 0.000 {?} 0.00000 2.16760 0 {?} 0 243 {8.HA} 4.355 0.033 0.051 ++ 0.000 {?} {9.HN} 8.697 0.035 0.063 ++ 0.000 {?} 0.00000 1.61760 0 {?} 0 244 {13.HA} 4.244 0.033 0.054 ++ 0.000 {?} {13.HN} 8.791 0.037 0.070 ++ 0.000 {?} 0.00000 2.04360 0 {?} 0 245 {6.HA} 4.209 0.034 0.050 ++ 0.000 {?} {9.HN} 8.697 0.033 0.047 ++ 0.000 {?} 0.00000 2.39260 0 {?} 0 246 {9.HA} 4.155 0.034 0.054 ++ 0.000 {?} {9.HN} 8.697 0.035 0.066 ++ 0.000 {?} 0.00000 4.87840 0 {?} 0 247 {9.HA} 4.155 0.033 0.051 ++ 0.000 {?} {10.HN} 8.577 0.031 0.071 ++ 0.000 {?} 0.00000 1.69380 0 {?} 0 248 {9.HA} 4.101 0.034 0.044 ++ 0.000 {?} {10.HN} 8.579 0.035 0.066 ++ 0.000 {?} 0.00000 1.18180 0 {?} 0 249 {10.HA1} 3.978 0.047 0.075 ++ 0.000 {?} {10.HN} 8.579 0.036 0.081 ++ 0.000 {?} 0.00000 6.54900 0 {?} 0 250 {10.HA2} 3.881 0.035 0.075 ++ 0.000 {?} {10.HN} 8.578 0.036 0.089 ++ 0.000 {?} 0.00000 4.73880 0 {?} 0 251 {14.HA1} 3.991 0.046 0.074 ++ 0.000 {?} {14.HN} 8.466 0.043 0.077 ++ 0.000 {?} 0.00000 7.84410 0 {?} 0 252 {21.HA} 4.193 0.036 0.057 ++ 0.000 {?} {21.HN} 8.087 0.023 0.062 ++ 0.000 {?} 0.00000 6.24450 0 {?} 0 253 {?} 4.415 0.034 0.057 ++ 0.000 {?} {?} 7.821 0.028 0.085 ++ 0.000 {?} 0.00000 10.13220 0 {?} 0 254 {7.HA} 4.102 0.033 0.056 ++ 0.000 {?} {7.HN} 8.073 0.063 0.117 ++ 0.000 {?} 0.00000 7.57740 0 {?} 0 255 {20.HA} 4.118 0.030 0.049 ++ 0.000 {?} {20.HN} 8.009 0.030 0.062 ++ 0.000 {?} 0.00000 7.85570 0 {?} 0 256 {23.HA} 4.185 0.045 0.064 ++ 0.000 {?} {23.HN} 8.008 0.034 0.089 ++ 0.000 {?} 0.00000 5.59080 0 {?} 0 257 {15.HA} 4.167 0.031 0.046 ++ 0.000 {?} {15.HN} 7.963 0.042 0.070 ++ 0.000 {?} 0.00000 5.87460 0 {?} 0 258 {11.HA} 4.243 0.045 0.049 ++ 0.000 {?} {12.HN} 8.001 0.034 0.084 ++ 0.000 {?} 4.12560 4.12560 0 {?} 0 259 {?} 3.472 0.037 0.038 ++ 0.000 {?} {?} 7.663 0.028 0.028 ++ 0.000 {?} 0.00000 1.48760 0 {?} 0 260 {?} 3.370 0.041 0.045 ++ 0.000 {?} {?} 7.663 0.028 0.032 ++ 0.000 {?} 0.00000 1.74480 0 {?} 0 261 {16.HB1} 3.473 0.045 0.093 ++ 0.000 {?} {16.HN} 8.003 0.041 0.084 ++ 0.000 {?} 0.00000 6.71240 0 {?} 0 262 {2.HB1} 3.473 0.044 0.071 ++ 0.000 {?} {2.HN} 8.317 0.031 0.074 ++ 0.000 {?} 0.00000 1.71900 0 {?} 0 263 {16.HB1} 3.474 0.047 0.079 ++ 0.000 {?} {17.HN} 8.535 0.039 0.067 ++ 0.000 {?} 0.00000 1.54620 0 {?} 0 264 {2.HB2} 3.371 0.036 0.057 ++ 0.000 {?} {2.HN} 8.313 0.028 0.061 ++ 0.000 {?} 0.00000 1.95330 0 {?} 0 265 {8.HB1} 3.336 0.032 0.072 ++ 0.000 {?} {8.HN} 8.071 0.046 0.078 ++ 0.000 {?} 0.00000 5.62180 0 {?} 0 266 {8.HB1} 3.337 0.032 0.073 ++ 0.000 {?} {9.HN} 8.697 0.035 0.076 ++ 0.000 {?} 0.00000 2.97610 0 {?} 0 267 {9.HA} 4.154 0.018 0.047 ++ 0.000 {?} {13.HN} 8.794 0.034 0.053 ++ 0.000 {?} 0.00000 0.92640 0 {?} 0 268 {10.HA1} 3.985 0.032 0.057 ++ 0.000 {?} {13.HN} 8.792 0.035 0.056 ++ 0.000 {?} 1.06990 1.06990 0 {?} 0 269 {10.HA2} 3.874 0.040 0.067 ++ 0.000 {?} {13.HN} 8.791 0.034 0.058 ++ 0.000 {?} 0.00000 1.09770 0 {?} 0 270 {11.HA} 4.231 0.037 0.053 ++ 0.000 {?} {11.HN} 8.126 0.028 0.076 ++ 0.000 {?} 0.00000 4.33020 0 {?} 0 271 {5.HA} 4.208 0.032 0.050 ++ 0.000 {?} {5.HN} 7.323 0.053 0.084 ++ 0.000 {?} 0.00000 3.64150 0 {?} 0 272 {3.HA} 4.026 0.033 0.054 ++ 0.000 {?} {3.HN} 7.447 0.040 0.077 ++ 0.000 {?} 0.00000 6.12080 0 {?} 0 273 {4.HA} 3.853 0.030 0.050 ++ 0.000 {?} {5.HN} 7.324 0.039 0.071 ++ 0.000 {?} 0.00000 6.20320 0 {?} 0 274 {4.HA} 3.853 0.030 0.054 ++ 0.000 {?} {4.HN} 7.425 0.027 0.059 ++ 0.000 {?} 0.00000 9.76080 0 {?} 0 275 {2.HB1} 3.472 0.037 0.062 ++ 0.000 {?} {2.HE3} 7.429 0.033 0.068 ++ 0.000 {?} 0.00000 1.55320 0 {?} 0 276 {?} 3.474 0.046 0.068 ++ 0.000 {?} {?} 7.344 0.035 0.068 ++ 0.000 {?} 0.00000 2.33670 0 {?} 0 277 {2.HB2} 3.371 0.036 0.060 ++ 0.000 {?} {2.HE3} 7.427 0.029 0.068 ++ 0.000 {?} 0.00000 1.36330 0 {?} 0 278 {?} 3.337 0.043 0.076 ++ 0.000 {?} {?} 7.300 0.042 0.069 ++ 0.000 {?} 0.00000 2.40920 0 {?} 0 279 {?} 3.269 0.038 0.067 ++ 0.000 {?} {?} 7.299 0.043 0.070 ++ 0.000 {?} 4.42885 4.42890 0 {?} 0 280 {?} 2.735 0.051 0.075 ++ 0.000 {?} {?} 6.970 0.041 0.065 ++ 0.000 {?} 0.00000 3.11060 0 {?} 0 281 {12.HB1} 2.745 0.054 0.118 ++ 0.000 {?} {12.HN} 8.010 0.031 0.094 ++ 0.000 {?} 0.00000 4.87330 0 {?} 0 282 {8.HB2} 3.268 0.036 0.067 ++ 0.000 {?} {8.HN} 8.071 0.046 0.080 ++ 0.000 {?} 0.00000 5.03500 0 {?} 0 283 {8.HB2} 3.270 0.037 0.060 ++ 0.000 {?} {9.HN} 8.697 0.035 0.068 ++ 0.000 {?} 0.00000 2.17060 0 {?} 0 284 {12.HB2} 2.738 0.052 0.097 ++ 0.000 {?} {13.HN} 8.790 0.037 0.074 ++ 0.000 {?} 0.00000 2.22810 0 {?} 0 285 {21.HG1} 2.496 0.031 0.050 ++ 0.000 {?} {21.HN} 8.094 0.045 0.075 ++ 0.000 {?} 0.00000 3.74320 0 {?} 0 286 {20.HG1} 2.521 0.044 0.075 ++ 0.000 {?} {20.HN} 8.005 0.031 0.071 ++ 0.000 {?} 0.00000 2.20270 0 {?} 0 287 {20.HG2} 2.431 0.037 0.060 ++ 0.000 {?} {20.HN} 8.008 0.031 0.064 ++ 0.000 {?} 0.00000 1.26500 0 {?} 0 288 {21.HG1} 2.495 0.033 0.045 ++ 0.000 {?} {22.HN} 8.260 0.037 0.063 ++ 0.000 {?} 0.00000 1.33830 0 {?} 0 289 {21.HB1} 2.306 0.046 0.066 ++ 0.000 {?} {22.HN} 8.260 0.038 0.076 ++ 0.000 {?} 2.26110 2.26110 0 {?} 0 290 {20.HB1} 2.232 0.048 0.055 ++ 0.000 {?} {22.HN} 8.260 0.037 0.068 ++ 0.000 {?} 0.00000 1.03460 0 {?} 0 291 {21.HB1} 2.305 0.048 0.076 ++ 0.000 {?} {21.HN} 8.094 0.044 0.075 ++ 0.000 {?} 0.00000 3.51420 0 {?} 0 292 {21.HB2} 2.242 0.050 0.073 ++ 0.000 {?} {21.HN} 8.094 0.039 0.075 ++ 0.000 {?} 0.00000 5.54250 0 {?} 0 293 {20.HB1} 2.256 0.050 0.092 ++ 0.000 {?} {20.HN} 8.007 0.031 0.067 ++ 0.000 {?} 5.56330 5.56330 0 {?} 0 294 {24.HB1} 2.014 0.039 0.070 ++ 0.000 {?} {24.HN} 7.683 0.028 0.058 ++ 0.000 {?} 0.00000 6.78500 0 {?} 0 295 {24.HG2} 1.560 0.033 0.061 ++ 0.000 {?} {24.HN} 7.687 0.031 0.067 ++ 0.000 {?} 0.00000 7.49160 0 {?} 0 296 {25.HB2} 1.681 0.042 0.056 ++ 0.000 {?} {25.HN} 7.809 0.034 0.055 ++ 0.000 {?} 0.00000 2.89150 0 {?} 0 297 {25.HB1} 1.854 0.046 0.050 ++ 0.000 {?} {25.HN} 7.809 0.033 0.058 ++ 0.000 {?} 0.00000 3.85600 0 {?} 0 298 {25.HB1} 1.910 0.044 0.068 ++ 0.000 {?} {25.HN} 7.809 0.035 0.065 ++ 0.000 {?} 0.00000 4.82970 0 {?} 0 299 {24.HB1} 2.015 0.037 0.055 ++ 0.000 {?} {25.HN} 7.810 0.032 0.061 ++ 0.000 {?} 0.00000 2.08000 0 {?} 0 300 {6.HB1} 1.885 0.045 0.085 ++ 0.000 {?} {6.HN} 7.695 0.042 0.072 ++ 0.000 {?} 0.00000 3.05220 0 {?} 0 301 {24.HD1} 1.811 0.048 0.073 ++ 0.000 {?} {24.HN} 7.695 0.045 0.069 ++ 0.000 {?} 0.00000 3.33080 0 {?} 0 302 {24.HD1} 1.742 0.053 0.079 ++ 0.000 {?} {24.HN} 7.696 0.047 0.069 ++ 0.000 {?} 0.00000 3.10850 0 {?} 0 303 {24.HG1} 1.676 0.051 0.060 ++ 0.000 {?} {24.HN} 7.681 0.030 0.071 ++ 0.000 {?} 0.00000 1.76680 0 {?} 0 304 {1.HB} 2.060 0.039 0.055 ++ 0.000 {?} {2.HN} 8.312 0.028 0.063 ++ 0.000 {?} 0.00000 1.33620 0 {?} 0 305 {17.HB1} 1.967 0.050 0.077 ++ 0.000 {?} {18.HN} 8.346 0.032 0.068 ++ 0.000 {?} 0.00000 2.81560 0 {?} 0 306 {22.HB1} 1.878 0.074 0.103 ++ 0.000 {?} {22.HN} 8.260 0.039 0.073 ++ 0.000 {?} 0.00000 5.90980 0 {?} 0 307 {17.HB1} 1.964 0.047 0.073 ++ 0.000 {?} {17.HN} 8.539 0.053 0.082 ++ 0.000 {?} 4.67670 4.67670 0 {?} 0 308 {9.HB1} 1.926 0.015 0.055 ++ 0.000 {?} {9.HN} 8.697 0.034 0.081 ++ 0.000 {?} 0.00000 2.75220 0 {?} 0 309 {9.HB1} 1.979 0.049 0.074 ++ 0.000 {?} {9.HN} 8.697 0.035 0.063 ++ 0.000 {?} 0.00000 4.51140 0 {?} 0 310 {13.HB1} 1.832 0.036 0.065 ++ 0.000 {?} {13.HN} 8.791 0.037 0.077 ++ 0.000 {?} 0.00000 9.52850 0 {?} 0 311 {?} 1.757 0.041 0.051 ++ 0.000 {?} {?} 8.792 0.037 0.049 ++ 0.000 {?} 0.00000 2.05800 0 {?} 0 312 {9.HB2} 1.769 0.043 0.073 ++ 0.000 {?} {9.HN} 8.697 0.033 0.071 ++ 0.000 {?} 0.00000 3.18620 0 {?} 0 313 {9.HB2} 1.768 0.046 0.062 ++ 0.000 {?} {10.HN} 8.578 0.034 0.071 ++ 0.000 {?} 0.00000 1.67600 0 {?} 0 314 {17.HB2} 1.653 0.046 0.062 ++ 0.000 {?} {17.HN} 8.536 0.041 0.065 ++ 0.000 {?} 0.00000 2.89810 0 {?} 0 315 {?} 1.861 0.043 0.064 ++ 0.000 {?} {?} 8.535 0.041 0.071 ++ 0.000 {?} 0.00000 1.77770 0 {?} 0 316 {13.HB1} 1.832 0.036 0.055 ++ 0.000 {?} {14.HN} 8.466 0.044 0.081 ++ 0.000 {?} 0.00000 2.85930 0 {?} 0 317 {17.HB2} 1.654 0.042 0.066 ++ 0.000 {?} {18.HN} 8.348 0.032 0.058 ++ 0.000 {?} 0.00000 1.92450 0 {?} 0 318 {22.HB2} 1.646 0.043 0.061 ++ 0.000 {?} {22.HN} 8.259 0.039 0.064 ++ 0.000 {?} 0.00000 3.38260 0 {?} 0 319 {?} 1.561 0.030 0.056 ++ 0.000 {?} {?} 8.345 0.033 0.071 ++ 0.000 {?} 0.00000 12.53550 0 {?} 0 320 {?} 1.556 0.022 0.022 ++ 0.000 {?} {?} 8.257 0.027 0.020 ++ 0.000 {?} 0.00000 1.17070 0 {?} 0 321 {?} 1.561 0.018 0.018 ++ 0.000 {?} {?} 8.536 0.028 0.022 ++ 0.000 {?} 0.00000 0.75570 0 {?} 0 322 {7.HG2} 1.424 0.045 0.066 ++ 0.000 {?} {7.HN} 8.072 0.043 0.074 ++ 0.000 {?} 0.00000 0.88000 0 {?} 0 323 {15.HG2} 1.501 0.032 0.064 ++ 0.000 {?} {15.HN} 7.966 0.087 0.099 ++ 0.000 {?} 0.00000 1.13130 0 {?} 0 324 {11.HG2} 1.558 0.030 0.051 ++ 0.000 {?} {12.HN} 8.012 0.032 0.086 ++ 0.000 {?} 0.00000 10.43510 0 {?} 0 325 {11.HG1} 1.639 0.046 0.068 ++ 0.000 {?} {11.HN} 8.121 0.035 0.066 ++ 0.000 {?} 0.00000 1.03830 0 {?} 0 326 {6.HB2} 1.734 0.054 0.061 ++ 0.000 {?} {8.HN} 8.072 0.053 0.070 ++ 0.000 {?} 0.00000 1.78470 0 {?} 0 327 {19.HD1} 1.754 0.046 0.049 ++ 0.000 {?} {19.HN} 8.001 0.083 0.095 ++ 0.000 {?} 0.00000 1.63650 0 {?} 0 328 {19.HG1} 1.653 0.048 0.064 ++ 0.000 {?} {19.HN} 8.007 0.041 0.079 ++ 0.000 {?} 0.00000 4.20950 0 {?} 0 329 {19.HB1} 1.993 0.045 0.082 ++ 0.000 {?} {19.HN} 8.003 0.046 0.086 ++ 0.000 {?} 0.00000 17.22980 0 {?} 0 330 {11.HB1} 2.022 0.045 0.068 ++ 0.000 {?} {11.HN} 8.124 0.061 0.076 ++ 0.000 {?} 0.00000 4.40020 0 {?} 0 331 {11.HD1} 1.928 0.044 0.055 ++ 0.000 {?} {11.HN} 8.123 0.034 0.076 ++ 0.000 {?} 0.00000 2.57410 0 {?} 0 332 {6.HB1} 1.880 0.041 0.066 ++ 0.000 {?} {7.HN} 8.072 0.051 0.085 ++ 0.000 {?} 0.00000 5.42620 0 {?} 0 333 {?} 1.842 0.046 0.053 ++ 0.000 {?} {?} 8.009 0.037 0.048 ++ 0.000 {?} 0.00000 2.02640 0 {?} 0 334 {11.HD1} 1.924 0.050 0.067 ++ 0.000 {?} {12.HN} 8.006 0.071 0.076 ++ 0.000 {?} 0.00000 2.69800 0 {?} 0 335 {3.HB1} 1.542 0.050 0.069 ++ 0.000 {?} {3.HN} 7.441 0.055 0.078 ++ 0.000 {?} 0.00000 2.89090 0 {?} 0 336 {3.HB2} 1.429 0.040 0.071 ++ 0.000 {?} {3.HN} 7.451 0.030 0.094 ++ 0.000 {?} 0.00000 6.67250 0 {?} 0 337 {4.HG1} 1.251 0.029 0.045 ++ 0.000 {?} {4.HN} 7.422 0.031 0.066 ++ 0.000 {?} 0.00000 2.34160 0 {?} 0 338 {?} 1.014 0.030 0.034 ++ 0.000 {?} {?} 7.301 0.042 0.051 ++ 0.000 {?} 0.00000 1.26620 0 {?} 0 339 {4.HG1} 1.252 0.026 0.045 ++ 0.000 {?} {5.HN} 7.319 0.050 0.076 ++ 0.000 {?} 0.00000 1.56370 0 {?} 0 340 {3.HB1} 1.561 0.030 0.056 ++ 0.000 {?} {5.HN} 7.325 0.041 0.084 ++ 0.000 {?} 0.00000 6.72770 0 {?} 0 341 {1.HG21} 1.078 0.028 0.042 ++ 0.000 {?} {3.HN} 7.437 0.054 0.081 ++ 0.000 {?} 0.00000 1.71280 0 {?} 0 342 {13.HD11} 0.955 0.030 0.044 ++ 0.000 {?} {13.HN} 8.800 0.046 0.053 ++ 0.000 {?} 0.00000 1.57200 0 {?} 0 343 {9.HD11} 1.016 0.026 0.038 ++ 0.000 {?} {9.HN} 8.701 0.035 0.053 ++ 0.000 {?} 0.00000 2.24790 0 {?} 0 344 {9.HD11} 1.016 0.039 0.045 ++ 0.000 {?} {10.HN} 8.584 0.052 0.057 ++ 0.000 {?} 0.00000 1.90350 0 {?} 0 345 {17.HD11} 0.960 0.042 0.060 ++ 0.000 {?} {17.HN} 8.535 0.044 0.081 ++ 0.000 {?} 0.00000 2.06690 0 {?} 0 346 {17.HD11} 0.960 0.038 0.047 ++ 0.000 {?} {18.HN} 8.344 0.026 0.046 ++ 0.000 {?} 0.00000 0.86620 0 {?} 0 347 {22.HD11} 0.942 0.032 0.045 ++ 0.000 {?} {22.HN} 8.260 0.038 0.061 ++ 0.000 {?} 0.00000 1.95740 0 {?} 0 348 {22.HD11} 0.949 0.036 0.051 ++ 0.000 {?} {23.HN} 8.006 0.040 0.068 ++ 0.000 {?} 0.00000 3.00490 0 {?} 0 349 {?} 0.938 0.027 0.031 ++ 0.000 {?} {?} 7.807 0.030 0.037 ++ 0.000 {?} 0.00000 1.40860 0 {?} 0 350 {25.HD11} 0.997 0.023 0.031 ++ 0.000 {?} {25.HN} 7.811 0.038 0.061 ++ 0.000 {?} 0.00000 1.17750 0 {?} 0 351 {6.HD11} 0.976 0.035 0.038 ++ 0.000 {?} {6.HN} 7.696 0.051 0.056 ++ 0.000 {?} 0.00000 1.63040 0 {?} 0 352 {25.HD11} 1.032 0.027 0.040 ++ 0.000 {?} {24.HN} 7.686 0.036 0.076 ++ 0.000 {?} 0.00000 1.21820 0 {?} 0 353 {?} 0.826 0.019 0.019 ++ 0.000 {?} {?} 7.448 0.037 0.023 ++ 0.000 {?} 0.00000 0.99730 0 {?} 0 354 {?} 0.950 0.027 0.027 ++ 0.000 {?} {?} 7.346 0.036 0.029 ++ 0.000 {?} 0.00000 1.21180 0 {?} 0 355 {3.HD21} 0.825 0.026 0.040 ++ 0.000 {?} {3.HA} 4.026 0.046 0.072 ++ 0.000 {?} 0.00000 4.29800 0 {?} 0 356 {13.HD11} 0.937 0.026 0.035 ++ 0.000 {?} {13.HA} 4.286 0.044 0.072 ++ 0.000 {?} 0.00000 6.86630 0 {?} 0 357 {17.HD11} 0.984 0.030 0.048 ++ 0.000 {?} {17.HA} 4.239 0.037 0.078 ++ 0.000 {?} 0.00000 12.32980 0 {?} 0 358 {6.HD11} 0.944 0.038 0.057 ++ 0.000 {?} {6.HA} 4.192 0.050 0.079 ++ 0.000 {?} 0.00000 6.98100 0 {?} 0 359 {9.HD11} 1.013 0.029 0.041 ++ 0.000 {?} {9.HA} 4.158 0.046 0.089 ++ 0.000 {?} 0.00000 7.96400 0 {?} 0 360 {3.HD11} 0.940 0.034 0.053 ++ 0.000 {?} {3.HA} 4.031 0.036 0.074 ++ 0.000 {?} 0.00000 2.87380 0 {?} 0 361 {4.HG1} 1.252 0.026 0.057 ++ 0.000 {?} {4.HA} 3.855 0.031 0.089 ++ 0.000 {?} 0.00000 14.59200 0 {?} 0 362 {12.HB1} 2.732 0.057 0.075 ++ 0.000 {?} {12.HA} 4.562 0.041 0.059 ++ 0.000 {?} 0.00000 2.81930 0 {?} 0 363 {21.HG1} 2.496 0.031 0.053 ++ 0.000 {?} {21.HA} 4.192 0.041 0.077 ++ 0.000 {?} 0.00000 5.10990 0 {?} 0 364 {20.HG2} 2.437 0.041 0.062 ++ 0.000 {?} {20.HA} 4.117 0.038 0.061 ++ 0.000 {?} 0.00000 1.19330 0 {?} 0 365 {21.HB1} 2.315 0.050 0.062 ++ 0.000 {?} {21.HA} 4.191 0.041 0.080 ++ 0.000 {?} 0.00000 6.62000 0 {?} 0 366 {20.HB1} 2.257 0.045 0.080 ++ 0.000 {?} {20.HA} 4.117 0.035 0.080 ++ 0.000 {?} 0.00000 7.48150 0 {?} 0 367 {21.HB2} 2.222 0.047 0.069 ++ 0.000 {?} {21.HA} 4.191 0.034 0.083 ++ 0.000 {?} 0.00000 8.13640 0 {?} 0 368 {19.HB1} 1.993 0.045 0.069 ++ 0.000 {?} {16.HA} 4.376 0.046 0.067 ++ 0.000 {?} 3.69030 3.69030 0 {?} 0 369 {11.HB1} 2.011 0.032 0.082 ++ 0.000 {?} {11.HA} 4.220 0.030 0.089 ++ 0.000 {?} 0.00000 9.22130 0 {?} 0 370 {1.HB} 2.059 0.039 0.051 ++ 0.000 {?} {1.HA} 3.994 0.026 0.066 ++ 0.000 {?} 0.00000 2.56650 0 {?} 0 371 {7.HB1} 1.978 0.060 0.094 ++ 0.000 {?} {4.HA} 3.858 0.038 0.066 ++ 0.000 {?} 0.00000 2.14760 0 {?} 0 372 {19.HB1} 1.990 0.039 0.067 ++ 0.000 {?} {19.HA} 4.037 0.029 0.059 ++ 0.000 {?} 0.00000 8.00870 0 {?} 0 373 {?} 1.877 0.009 0.046 ++ 0.000 {?} {?} 3.857 0.036 0.036 ++ 0.000 {?} 0.00000 1.78280 0 {?} 0 374 {13.HB1} 1.833 0.036 0.062 ++ 0.000 {?} {10.HA2} 3.875 0.033 0.079 ++ 0.000 {?} 0.00000 2.53270 0 {?} 0 375 {3.HB2} 1.430 0.041 0.063 ++ 0.000 {?} {3.HA} 4.025 0.041 0.072 ++ 0.000 {?} 0.00000 4.86330 0 {?} 0 376 {7.HG2} 1.421 0.048 0.075 ++ 0.000 {?} {7.HA} 4.103 0.029 0.061 ++ 0.000 {?} 0.00000 1.93730 0 {?} 0 377 {7.HG1} 1.561 0.036 0.069 ++ 0.000 {?} {4.HA} 3.856 0.031 0.066 ++ 0.000 {?} 1.91880 1.91880 0 {?} 0 378 {25.HB2} 1.683 0.040 0.062 ++ 0.000 {?} {25.HA} 4.288 0.038 0.076 ++ 0.000 {?} 0.00000 2.60280 0 {?} 0 379 {25.HB2} 1.651 0.047 0.072 ++ 0.000 {?} {22.HA} 4.203 0.039 0.082 ++ 0.000 {?} 2.79460 2.79460 0 {?} 0 380 {19.HG1} 1.651 0.045 0.069 ++ 0.000 {?} {19.HA} 4.038 0.032 0.074 ++ 0.000 {?} 2.36570 2.36570 0 {?} 0 381 {3.HB1} 1.533 0.051 0.074 ++ 0.000 {?} {3.HA} 4.028 0.045 0.076 ++ 0.000 {?} 0.00000 4.74480 0 {?} 0 382 {24.HB1} 1.560 0.031 0.061 ++ 0.000 {?} {21.HA} 4.194 0.049 0.120 ++ 0.000 {?} 1.48410 1.48410 0 {?} 0 383 {18.HB1} 1.495 0.036 0.054 ++ 0.000 {?} {15.HA} 4.168 0.040 0.059 ++ 0.000 {?} 2.14490 2.14490 0 {?} 0 384 {25.HB1} 1.757 0.057 0.056 ++ 0.000 {?} {22.HA} 4.211 0.068 0.070 ++ 0.000 {?} 6.42990 6.42990 0 {?} 0 385 {19.HD1} 1.741 0.045 0.055 ++ 0.000 {?} {19.HA} 4.027 0.047 0.065 ++ 0.000 {?} 2.56230 2.56230 0 {?} 0 386 {7.HD1} 1.707 0.032 0.051 ++ 0.000 {?} {7.HA} 4.098 0.036 0.058 ++ 0.000 {?} 1.42800 1.42800 0 {?} 0 387 {7.HB1} 1.878 0.040 0.055 ++ 0.000 {?} {7.HA} 4.099 0.038 0.070 ++ 0.000 {?} 2.47320 2.47320 0 {?} 0 388 {22.HB1} 1.890 0.051 0.081 ++ 0.000 {?} {19.HA} 4.030 0.034 0.079 ++ 0.000 {?} 2.98060 2.98060 0 {?} 0 389 {13.HB1} 1.832 0.035 0.052 ++ 0.000 {?} {10.HA1} 3.988 0.037 0.072 ++ 0.000 {?} 1.83880 1.83880 0 {?} 0 390 {9.HB1} 1.891 0.087 0.068 ++ 0.000 {?} {6.HA} 4.198 0.032 0.065 ++ 0.000 {?} 8.52200 8.52200 0 {?} 0 391 {13.HB1} 1.832 0.039 0.055 ++ 0.000 {?} {13.HA} 4.241 0.050 0.068 ++ 0.000 {?} 0.00000 7.05510 0 {?} 0 392 {25.HB1} 1.911 0.038 0.055 ++ 0.000 {?} {25.HA} 4.293 0.036 0.053 ++ 0.000 {?} 0.00000 1.76570 0 {?} 0 393 {?} 1.561 0.029 0.029 ++ 0.000 {?} {?} 3.356 0.053 0.051 ++ 0.000 {?} 0.00000 1.66810 0 {?} 0 394 {?} 1.560 0.024 0.024 ++ 0.000 {?} {?} 3.478 0.038 0.026 ++ 0.000 {?} 0.00000 1.33690 0 {?} 0 395 {?} 0.982 0.020 0.033 ++ 0.000 {?} {?} 3.470 0.061 0.049 ++ 0.000 {?} 0.00000 1.05810 0 {?} 0 396 {7.HG2} 1.424 0.044 0.071 ++ 0.000 {?} {7.HE1} 2.954 0.040 0.066 ++ 0.000 {?} 0.00000 1.82270 0 {?} 0 397 {15.HG2} 1.515 0.056 0.079 ++ 0.000 {?} {15.HE1} 3.009 0.030 0.081 ++ 0.000 {?} 0.00000 2.98450 0 {?} 0 398 {19.HG1} 1.659 0.061 0.080 ++ 0.000 {?} {19.HE1} 3.014 0.043 0.072 ++ 0.000 {?} 3.39930 3.39930 0 {?} 0 399 {19.HD1} 1.761 0.039 0.069 ++ 0.000 {?} {19.HE1} 3.016 0.043 0.082 ++ 0.000 {?} 0.00000 13.33860 0 {?} 0 400 {15.HD1} 1.929 0.029 0.053 ++ 0.000 {?} {15.HE1} 3.013 0.037 0.063 ++ 0.000 {?} 0.00000 1.16160 0 {?} 0 401 {19.HB1} 1.998 0.052 0.052 ++ 0.000 {?} {19.HE1} 3.012 0.043 0.083 ++ 0.000 {?} 0.00000 1.72370 0 {?} 0 402 {21.HB1} 2.307 0.046 0.072 ++ 0.000 {?} {21.HG1} 2.496 0.029 0.055 ++ 0.000 {?} 0.00000 6.17410 0 {?} 0 403 {20.HB1} 2.242 0.052 0.073 ++ 0.000 {?} {20.HG1} 2.503 0.041 0.081 ++ 0.000 {?} 0.00000 9.84730 0 {?} 0 404 {20.HB1} 2.264 0.034 0.044 ++ 0.000 {?} {20.HG2} 2.435 0.043 0.061 ++ 0.000 {?} 0.00000 3.48220 0 {?} 0 405 {?} 1.559 0.025 0.025 ++ 0.000 {?} {?} 2.503 0.034 0.034 ++ 0.000 {?} 0.00000 1.30800 0 {?} 0 406 {?} 1.559 0.029 0.027 ++ 0.000 {?} {?} 2.253 0.070 0.126 ++ 0.000 {?} 0.00000 1.60450 0 {?} 0 407 {3.HD21} 0.825 0.027 0.053 ++ 0.000 {?} {3.HB1} 1.539 0.035 0.086 ++ 0.000 {?} 0.00000 4.00850 0 {?} 0 408 {3.HD21} 0.827 0.027 0.045 ++ 0.000 {?} {3.HB2} 1.427 0.041 0.073 ++ 0.000 {?} 0.00000 7.20800 0 {?} 0 409 {3.HD11} 0.927 0.026 0.040 ++ 0.000 {?} {3.HB2} 1.426 0.037 0.067 ++ 0.000 {?} 0.00000 6.72730 0 {?} 0 410 {?} 1.282 0.044 0.064 ++ 0.000 {?} {?} 1.549 0.048 0.072 ++ 0.000 {?} 0.00000 4.54520 0 {?} 0 411 {3.HB2} 1.430 0.037 0.052 ++ 0.000 {?} {3.HB1} 1.547 0.052 0.065 ++ 0.000 {?} 0.00000 12.51730 0 {?} 0 412 {15.HG2} 1.513 0.042 0.054 ++ 0.000 {?} {15.HG1} 1.666 0.055 0.082 ++ 0.000 {?} 0.00000 10.45590 0 {?} 0 413 {24.HG2} 1.525 0.048 0.055 ++ 0.000 {?} {24.HD1} 1.749 0.028 0.071 ++ 0.000 {?} 0.00000 5.87910 0 {?} 0 414 {24.HG2} 1.556 0.047 0.075 ++ 0.000 {?} {24.HB1} 2.004 0.043 0.091 ++ 0.000 {?} 0.00000 7.06180 0 {?} 0 415 {25.HB2} 1.666 0.071 0.120 ++ 0.000 {?} {25.HB1} 1.906 0.063 0.120 ++ 0.000 {?} 0.00000 19.95290 0 {?} 0 416 {9.HB2} 1.765 0.046 0.096 ++ 0.000 {?} {9.HB1} 1.988 0.053 0.088 ++ 0.000 {?} 0.00000 11.18750 0 {?} 0 417 {?} 1.423 0.046 0.057 ++ 0.000 {?} {?} 1.877 0.047 0.060 ++ 0.000 {?} 0.00000 2.42020 0 {?} 0 418 {?} 1.423 0.040 0.040 ++ 0.000 {?} {?} 1.987 0.042 0.036 ++ 0.000 {?} 0.00000 1.43900 0 {?} 0 419 {?} 1.429 0.050 0.069 ++ 0.000 {?} {?} 1.706 0.030 0.045 ++ 0.000 {?} 0.00000 3.24380 0 {?} 0 420 {?} 1.003 0.031 0.061 ++ 0.000 {?} {?} 1.552 0.039 0.068 ++ 0.000 {?} 0.00000 4.87830 0 {?} 0 421 {3.HD11} 0.938 0.026 0.044 ++ 0.000 {?} {3.HB1} 1.549 0.041 0.063 ++ 0.000 {?} 0.00000 3.21850 0 {?} 0 422 {22.HD11} 0.951 0.039 0.071 ++ 0.000 {?} {22.HB2} 1.651 0.036 0.083 ++ 0.000 {?} 0.00000 14.54840 0 {?} 0 423 {6.HD11} 0.980 0.038 0.053 ++ 0.000 {?} {6.HB2} 1.752 0.070 0.089 ++ 0.000 {?} 8.36450 8.36450 0 {?} 0 424 {13.HD11} 0.947 0.033 0.063 ++ 0.000 {?} {13.HB1} 1.855 0.058 0.134 ++ 0.000 {?} 26.93960 26.93960 0 {?} 0 425 {25.HD11} 1.011 0.034 0.058 ++ 0.000 {?} {25.HB1} 1.931 0.053 0.096 ++ 0.000 {?} 8.65950 8.65950 0 {?} 0 426 {9.HD11} 1.012 0.032 0.055 ++ 0.000 {?} {9.HB2} 1.768 0.037 0.072 ++ 0.000 {?} 8.56410 8.56410 0 {?} 0 427 {1.HG21} 1.079 0.024 0.038 ++ 0.000 {?} {1.HB} 2.060 0.042 0.071 ++ 0.000 {?} 0.00000 5.29300 0 {?} 0 428 {?} 0.953 0.032 0.038 ++ 0.000 {?} {?} 2.250 0.072 0.085 ++ 0.000 {?} 0.00000 2.37120 0 {?} 0 429 {20.HG1} 2.498 0.036 0.049 ++ 0.000 {?} {20.HB1} 2.237 0.075 0.071 ++ 0.000 {?} 0.00000 8.23610 0 {?} 0 430 {21.HG1} 2.495 0.034 0.046 ++ 0.000 {?} {21.HB1} 2.301 0.068 0.052 ++ 0.000 {?} 0.00000 5.14180 0 {?} 0 431 {20.HG2} 2.435 0.038 0.050 ++ 0.000 {?} {20.HB1} 2.258 0.037 0.059 ++ 0.000 {?} 0.00000 3.29330 0 {?} 0 432 {11.HB1} 2.002 0.047 0.062 ++ 0.000 {?} {11.HG2} 1.547 0.061 0.101 ++ 0.000 {?} 0.00000 6.71330 0 {?} 0 433 {11.HD1} 1.929 0.037 0.055 ++ 0.000 {?} {11.HG2} 1.522 0.056 0.076 ++ 0.000 {?} 0.00000 2.43640 0 {?} 0 434 {?} 1.878 0.037 0.041 ++ 0.000 {?} {?} 1.425 0.031 0.038 ++ 0.000 {?} 0.00000 2.18030 0 {?} 0 435 {25.HB1} 1.907 0.061 0.079 ++ 0.000 {?} {25.HB2} 1.667 0.065 0.099 ++ 0.000 {?} 0.00000 19.35620 0 {?} 0 436 {17.HB1} 1.964 0.050 0.075 ++ 0.000 {?} {17.HB2} 1.653 0.033 0.084 ++ 0.000 {?} 0.00000 12.15410 0 {?} 0 437 {9.HB1} 1.987 0.058 0.099 ++ 0.000 {?} {9.HB2} 1.761 0.046 0.076 ++ 0.000 {?} 0.00000 12.66490 0 {?} 0 438 {24.HD1} 1.748 0.034 0.052 ++ 0.000 {?} {24.HG2} 1.519 0.034 0.055 ++ 0.000 {?} 0.00000 4.10920 0 {?} 0 439 {11.HG1} 1.662 0.046 0.069 ++ 0.000 {?} {11.HG2} 1.519 0.041 0.057 ++ 0.000 {?} 0.00000 8.41160 0 {?} 0 440 {7.HG1} 1.591 0.024 0.030 ++ 0.000 {?} {7.HG2} 1.425 0.031 0.050 ++ 0.000 {?} 0.00000 3.95280 0 {?} 0 441 {6.HB2} 1.706 0.029 0.035 ++ 0.000 {?} {7.HG2} 1.426 0.032 0.043 ++ 0.000 {?} 0.00000 2.77080 0 {?} 0 442 {3.HB1} 1.532 0.017 0.025 ++ 0.000 {?} {3.HB2} 1.424 0.011 0.020 ++ 0.000 {?} 0.00000 7.09970 0 {?} 0 443 {?} 1.542 0.029 0.036 ++ 0.000 {?} {?} 1.280 0.015 0.022 ++ 0.000 {?} 0.00000 3.12050 0 {?} 0 444 {1.HB} 2.057 0.038 0.056 ++ 0.000 {?} {1.HG21} 1.080 0.037 0.062 ++ 0.000 {?} 0.00000 4.47670 0 {?} 0 445 {?} 2.249 0.042 0.042 ++ 0.000 {?} {?} 0.954 0.031 0.023 ++ 0.000 {?} 0.00000 1.31910 0 {?} 0 446 {1.HB} 2.059 0.027 0.038 ++ 0.000 {?} {1.HD11} 0.994 0.020 0.053 ++ 0.000 {?} 0.00000 1.43790 0 {?} 0 447 {?} 1.555 0.038 0.052 ++ 0.000 {?} {?} 1.004 0.027 0.117 ++ 0.000 {?} 0.00000 4.81020 0 {?} 0 448 {3.HB2} 1.424 0.041 0.061 ++ 0.000 {?} {3.HD11} 0.925 0.022 0.036 ++ 0.000 {?} 0.00000 3.12700 0 {?} 0 449 {3.HB2} 1.426 0.045 0.071 ++ 0.000 {?} {3.HD21} 0.826 0.033 0.060 ++ 0.000 {?} 0.00000 5.17090 0 {?} 0 450 {3.HB1} 1.534 0.036 0.050 ++ 0.000 {?} {3.HD21} 0.825 0.035 0.054 ++ 0.000 {?} 0.00000 2.97350 0 {?} 0 451 {?} 1.107 0.023 0.025 ++ 0.000 {?} {?} 0.885 0.014 0.016 ++ 0.000 {?} 1.52457 1.52460 0 {?} 0 452 {22.HB2} 1.652 0.046 0.078 ++ 0.000 {?} {22.HD11} 0.953 0.035 0.078 ++ 0.000 {?} 0.00000 15.13060 0 {?} 0 453 {6.HB2} 1.756 0.038 0.081 ++ 0.000 {?} {6.HD11} 0.981 0.063 0.109 ++ 0.000 {?} 12.52940 12.52940 0 {?} 0 454 {13.HB1} 1.849 0.029 0.074 ++ 0.000 {?} {13.HD11} 0.954 0.039 0.094 ++ 0.000 {?} 0.00000 30.16150 0 {?} 0 455 {25.HB1} 1.927 0.022 0.077 ++ 0.000 {?} {25.HD11} 1.009 0.035 0.093 ++ 0.000 {?} 0.00000 6.67680 0 {?} 0 456 {?} 2.499 0.031 0.030 ++ 0.000 {?} {?} 0.962 0.066 0.065 ++ 0.000 {?} 0.00000 1.51740 0 {?} 0 457 {?} 3.474 0.045 0.051 ++ 0.000 {?} {?} 0.971 0.042 0.049 ++ 0.000 {?} 0.00000 0.89710 0 {?} 0 458 {?} 3.473 0.035 0.035 ++ 0.000 {?} {?} 1.559 0.031 0.020 ++ 0.000 {?} 0.00000 1.29600 0 {?} 0 459 {?} 3.474 0.032 0.032 ++ 0.000 {?} {?} 1.846 0.026 0.026 ++ 0.000 {?} 0.00000 1.04190 0 {?} 0 460 {?} 3.474 0.030 0.030 ++ 0.000 {?} {?} 1.984 0.027 0.027 ++ 0.000 {?} 0.00000 1.16820 0 {?} 0 461 {?} 3.357 0.045 0.045 ++ 0.000 {?} {?} 1.561 0.029 0.017 ++ 0.000 {?} 0.00000 1.17060 0 {?} 0 462 {19.HE1} 3.007 0.033 0.033 ++ 0.000 {?} {19.HB1} 1.994 0.063 0.063 ++ 0.000 {?} 0.00000 1.23010 0 {?} 0 463 {19.HE1} 3.010 0.040 0.064 ++ 0.000 {?} {19.HD1} 1.757 0.046 0.074 ++ 0.000 {?} 0.00000 13.20390 0 {?} 0 464 {7.HE1} 2.953 0.038 0.055 ++ 0.000 {?} {6.HB2} 1.708 0.038 0.064 ++ 0.000 {?} 0.00000 4.67930 0 {?} 0 465 {7.HE1} 2.954 0.026 0.045 ++ 0.000 {?} {7.HG1} 1.578 0.040 0.061 ++ 0.000 {?} 0.00000 1.32070 0 {?} 0 466 {19.HE1} 3.010 0.030 0.047 ++ 0.000 {?} {19.HG1} 1.661 0.042 0.063 ++ 0.000 {?} 2.66580 2.66580 0 {?} 0 467 {15.HE1} 3.009 0.036 0.049 ++ 0.000 {?} {15.HG2} 1.517 0.049 0.071 ++ 0.000 {?} 3.48760 3.48760 0 {?} 0 468 {7.HE1} 2.954 0.034 0.055 ++ 0.000 {?} {7.HG2} 1.425 0.039 0.071 ++ 0.000 {?} 0.00000 2.00550 0 {?} 0 469 {?} 3.868 0.044 0.056 ++ 0.000 {?} {?} 0.970 0.041 0.059 ++ 0.000 {?} 0.00000 2.94430 0 {?} 0 470 {4.HA} 3.852 0.030 0.057 ++ 0.000 {?} {4.HG1} 1.251 0.030 0.066 ++ 0.000 {?} 0.00000 16.83630 0 {?} 0 471 {10.HA2} 3.853 0.031 0.055 ++ 0.000 {?} {11.HG2} 1.560 0.033 0.079 ++ 0.000 {?} 0.00000 2.74680 0 {?} 0 472 {14.HA2} 3.873 0.028 0.042 ++ 0.000 {?} {17.HB2} 1.656 0.068 0.063 ++ 0.000 {?} 1.55010 1.55010 0 {?} 0 473 {10.HA2} 3.886 0.040 0.057 ++ 0.000 {?} {13.HB1} 1.829 0.076 0.075 ++ 0.000 {?} 3.10390 3.10390 0 {?} 0 474 {4.HA} 3.854 0.033 0.065 ++ 0.000 {?} {7.HB1} 1.982 0.042 0.106 ++ 0.000 {?} 3.57860 3.57860 0 {?} 0 475 {1.HA} 3.993 0.026 0.038 ++ 0.000 {?} {1.HB} 2.059 0.041 0.068 ++ 0.000 {?} 0.00000 4.42820 0 {?} 0 476 {19.HA} 4.038 0.035 0.062 ++ 0.000 {?} {19.HB1} 1.992 0.050 0.086 ++ 0.000 {?} 0.00000 11.16430 0 {?} 0 477 {19.HA} 4.034 0.032 0.057 ++ 0.000 {?} {22.HB1} 1.889 0.031 0.081 ++ 0.000 {?} 4.55960 4.55960 0 {?} 0 478 {19.HA} 4.030 0.037 0.050 ++ 0.000 {?} {19.HD1} 1.740 0.043 0.085 ++ 0.000 {?} 0.00000 3.01370 0 {?} 0 479 {19.HA} 4.039 0.032 0.051 ++ 0.000 {?} {19.HG1} 1.652 0.028 0.063 ++ 0.000 {?} 0.00000 3.24420 0 {?} 0 480 {3.HA} 4.032 0.035 0.052 ++ 0.000 {?} {3.HB1} 1.537 0.036 0.067 ++ 0.000 {?} 0.00000 5.72910 0 {?} 0 481 {3.HA} 4.026 0.031 0.048 ++ 0.000 {?} {3.HB2} 1.431 0.048 0.078 ++ 0.000 {?} 0.00000 6.39780 0 {?} 0 482 {10.HA1} 3.982 0.048 0.066 ++ 0.000 {?} {13.HB1} 1.832 0.044 0.083 ++ 0.000 {?} 2.26100 2.26100 0 {?} 0 483 {7.HA} 4.102 0.033 0.050 ++ 0.000 {?} {7.HG1} 1.878 0.048 0.080 ++ 0.000 {?} 5.19410 5.19410 0 {?} 0 484 {9.HA} 4.104 0.035 0.052 ++ 0.000 {?} {9.HB1} 1.990 0.051 0.082 ++ 0.000 {?} 0.00000 2.77360 0 {?} 0 485 {7.HA} 4.102 0.034 0.051 ++ 0.000 {?} {7.HG2} 1.710 0.052 0.091 ++ 0.000 {?} 1.24430 1.24430 0 {?} 0 486 {7.HA} 4.113 0.030 0.047 ++ 0.000 {?} {7.HG1} 1.561 0.032 0.065 ++ 0.000 {?} 0.00000 5.66100 0 {?} 0 487 {7.HA} 4.102 0.033 0.058 ++ 0.000 {?} {7.HG2} 1.424 0.037 0.076 ++ 0.000 {?} 0.00000 2.38950 0 {?} 0 488 {16.HA} 4.377 0.040 0.061 ++ 0.000 {?} {19.HB1} 1.992 0.058 0.087 ++ 0.000 {?} 5.96420 5.96420 0 {?} 0 489 {12.HA} 4.560 0.033 0.057 ++ 0.000 {?} {15.HB1} 2.007 0.038 0.071 ++ 0.000 {?} 1.86140 1.86140 0 {?} 0 490 {12.HA} 4.562 0.033 0.051 ++ 0.000 {?} {15.HB2} 1.933 0.033 0.061 ++ 0.000 {?} 1.54190 1.54190 0 {?} 0 491 {8.HA} 4.364 0.040 0.043 ++ 0.000 {?} {11.HG1} 1.754 0.043 0.035 ++ 0.000 {?} 0.95830 0.95830 0 {?} 0 492 {25.HA} 4.289 0.035 0.058 ++ 0.000 {?} {25.HB2} 1.683 0.039 0.084 ++ 0.000 {?} 0.00000 3.72500 0 {?} 0 493 {25.HA} 4.287 0.029 0.050 ++ 0.000 {?} {25.HB1} 1.904 0.074 0.083 ++ 0.000 {?} 0.00000 3.17430 0 {?} 0 494 {8.HA} 4.355 0.031 0.031 ++ 0.000 {?} {11.HB2} 1.928 0.053 0.053 ++ 0.000 {?} 1.77650 1.77650 0 {?} 0 495 {11.HA} 4.227 0.033 0.057 ++ 0.000 {?} {11.HB1} 2.013 0.048 0.086 ++ 0.000 {?} 0.00000 17.04570 0 {?} 0 496 {9.HA} 4.166 0.044 0.054 ++ 0.000 {?} {9.HB1} 1.989 0.067 0.073 ++ 0.000 {?} 0.00000 6.42710 0 {?} 0 497 {22.HA} 4.199 0.038 0.053 ++ 0.000 {?} {22.HB1} 1.884 0.058 0.079 ++ 0.000 {?} 0.00000 11.60430 0 {?} 0 498 {?} 4.217 0.051 0.089 ++ 0.000 {?} {?} 1.759 0.060 0.091 ++ 0.000 {?} 0.00000 4.82230 0 {?} 0 499 {9.HA} 4.157 0.038 0.056 ++ 0.000 {?} {9.HB2} 1.765 0.039 0.077 ++ 0.000 {?} 4.63070 4.63070 0 {?} 0 500 {17.HA} 4.203 0.058 0.082 ++ 0.000 {?} {17.HB2} 1.654 0.033 0.056 ++ 0.000 {?} 0.00000 8.03100 0 {?} 0 501 {24.HA} 4.216 0.054 0.061 ++ 0.000 {?} {24.HG2} 1.561 0.028 0.068 ++ 0.000 {?} 0.00000 34.67730 0 {?} 0 502 {9.HA} 4.156 0.035 0.060 ++ 0.000 {?} {9.HD11} 1.012 0.037 0.072 ++ 0.000 {?} 0.00000 8.68170 0 {?} 0 503 {3.HA} 4.034 0.033 0.049 ++ 0.000 {?} {3.HD11} 0.942 0.050 0.071 ++ 0.000 {?} 0.00000 2.71350 0 {?} 0 504 {1.HA} 3.991 0.038 0.057 ++ 0.000 {?} {1.HD11} 0.981 0.039 0.068 ++ 0.000 {?} 0.00000 1.40450 0 {?} 0 505 {1.HA} 4.026 0.030 0.043 ++ 0.000 {?} {1.HG21} 1.037 0.036 0.062 ++ 0.000 {?} 0.00000 1.43560 0 {?} 0 506 {1.HA} 3.994 0.027 0.049 ++ 0.000 {?} {1.HG21} 1.078 0.035 0.068 ++ 0.000 {?} 0.00000 3.50190 0 {?} 0 507 {3.HA} 4.026 0.033 0.049 ++ 0.000 {?} {3.HD21} 0.825 0.038 0.064 ++ 0.000 {?} 0.00000 2.29950 0 {?} 0 508 {17.HA} 4.248 0.044 0.049 ++ 0.000 {?} {17.HD11} 0.982 0.046 0.079 ++ 0.000 {?} 0.00000 18.93780 0 {?} 0 509 {13.HA} 4.289 0.036 0.067 ++ 0.000 {?} {13.HD11} 0.939 0.037 0.076 ++ 0.000 {?} 0.00000 4.15210 0 {?} 0 510 {6.HA} 4.207 0.044 0.057 ++ 0.000 {?} {6.HD11} 0.956 0.046 0.074 ++ 0.000 {?} 0.00000 6.90810 0 {?} 0 511 {?} 7.278 0.025 0.039 ++ 0.000 {?} {?} 7.522 0.020 0.037 ++ 0.000 {?} 0.00000 10.25830 0 {?} 0 512 {?} 7.273 0.027 0.052 ++ 0.000 {?} {?} 6.593 0.032 0.073 ++ 0.000 {?} 0.00000 27.95210 0 {?} 0 513 {?} 7.031 0.027 0.052 ++ 0.000 {?} {?} 6.635 0.027 0.063 ++ 0.000 {?} 0.00000 0.95090 0 {?} 0 514 {?} 6.592 0.026 0.051 ++ 0.000 {?} {?} 7.273 0.036 0.078 ++ 0.000 {?} 0.00000 13.83580 0 {?} 0 515 {?} 6.635 0.026 0.052 ++ 0.000 {?} {?} 7.030 0.026 0.060 ++ 0.000 {?} 0.00000 34.36030 0 {?} 0 516 {?} 6.970 0.031 0.032 ++ 0.000 {?} {?} 8.012 0.029 0.031 ++ 0.000 {?} 0.00000 1.76900 0 {?} 0 517 {?} 8.013 0.031 0.038 ++ 0.000 {?} {?} 6.970 0.042 0.054 ++ 0.000 {?} 0.00000 2.16370 0 {?} 0 518 {?} 8.698 0.025 0.025 ++ 0.000 {?} {?} 7.301 0.041 0.033 ++ 0.000 {?} 1.14862 1.14860 0 {?} 0 519 {?} 7.300 0.027 0.024 ++ 0.000 {?} {?} 8.697 0.034 0.029 ++ 0.000 {?} 0.00000 1.52940 0 {?} 0 520 {?} 7.031 0.027 0.033 ++ 0.000 {?} {?} 2.498 0.030 0.039 ++ 0.000 {?} 0.00000 2.02920 0 {?} 0 521 {?} 6.970 0.029 0.044 ++ 0.000 {?} {?} 2.744 0.063 0.088 ++ 0.000 {?} 0.00000 4.08240 0 {?} 0 522 {?} 6.635 0.023 0.023 ++ 0.000 {?} {?} 2.498 0.030 0.024 ++ 0.000 {?} 0.00000 1.43620 0 {?} 0 523 {?} 6.970 0.028 0.058 ++ 0.000 {?} {?} 6.068 0.031 0.074 ++ 0.000 {?} 0.00000 4.24850 0 {?} 0 524 {?} 6.069 0.029 0.062 ++ 0.000 {?} {?} 6.970 0.040 0.081 ++ 0.000 {?} 0.00000 14.14920 0 {?} 0 525 {?} 4.928 0.030 0.037 ++ 0.000 {?} {?} 7.448 0.041 0.054 ++ 0.000 {?} 0.00000 2.33060 0 {?} 0 526 {?} 4.809 0.044 0.042 ++ 0.000 {?} {?} 7.680 0.039 0.035 ++ 0.000 {?} 0.00000 1.35640 0 {?} 0 527 {?} 4.823 0.037 0.037 ++ 0.000 {?} {?} 8.092 0.067 0.117 ++ 0.000 {?} 0.00000 1.37910 0 {?} 0 528 {8.HA} 4.355 0.033 0.049 ++ 0.000 {?} {5.HN} 7.299 0.042 0.066 ++ 0.000 {?} 0.00000 3.87350 0 {?} 0 529 {?} 2.497 0.031 0.036 ++ 0.000 {?} {?} 7.030 0.026 0.031 ++ 0.000 {?} 0.00000 2.16710 0 {?} 0 530 {?} 2.498 0.026 0.026 ++ 0.000 {?} {?} 6.632 0.032 0.021 ++ 0.000 {?} 0.00000 1.29770 0 {?} 0 531 {?} 2.735 0.051 0.047 ++ 0.000 {?} {?} 6.068 0.032 0.029 ++ 0.000 {?} 0.00000 1.56220 0 {?} 0 532 {12.HA} 4.562 0.033 0.051 ++ 0.000 {?} {12.HB1} 2.738 0.068 0.108 ++ 0.000 {?} 0.00000 5.29310 0 {?} 0 533 {8.HA} 4.355 0.031 0.057 ++ 0.000 {?} {8.HB1} 3.338 0.031 0.081 ++ 0.000 {?} 0.00000 3.04210 0 {?} 0 534 {8.HA} 4.354 0.036 0.056 ++ 0.000 {?} {8.HB2} 3.267 0.070 0.070 ++ 0.000 {?} 0.00000 1.02310 0 {?} 0 535 {16.HA} 4.380 0.035 0.056 ++ 0.000 {?} {16.HB1} 3.473 0.042 0.081 ++ 0.000 {?} 0.00000 2.12310 0 {?} 0 536 {13.HA} 4.244 0.033 0.062 ++ 0.000 {?} {16.HB1} 3.472 0.046 0.099 ++ 0.000 {?} 0.97480 0.97480 0 {?} 0 537 {5.HA} 4.208 0.033 0.064 ++ 0.000 {?} {8.HB1} 3.339 0.035 0.074 ++ 0.000 {?} 2.23030 2.23030 0 {?} 0 538 {5.HA} 4.209 0.032 0.055 ++ 0.000 {?} {8.HB2} 3.271 0.070 0.070 ++ 0.000 {?} 1.83210 1.83210 0 {?} 0 539 {9.HA} 4.155 0.035 0.057 ++ 0.000 {?} {12.HB1} 2.742 0.067 0.109 ++ 0.000 {?} 3.10220 3.10220 0 {?} 0 540 {21.HA} 4.193 0.036 0.064 ++ 0.000 {?} {21.HG1} 2.498 0.032 0.084 ++ 0.000 {?} 0.00000 7.68630 0 {?} 0 541 {21.HA} 4.192 0.038 0.060 ++ 0.000 {?} {21.HB1} 2.315 0.070 0.081 ++ 0.000 {?} 0.00000 5.66260 0 {?} 0 542 {21.HA} 4.194 0.034 0.057 ++ 0.000 {?} {21.HB2} 2.237 0.036 0.073 ++ 0.000 {?} 0.00000 8.55850 0 {?} 0 543 {20.HA} 4.117 0.034 0.055 ++ 0.000 {?} {20.HB1} 2.255 0.045 0.085 ++ 0.000 {?} 0.00000 8.58230 0 {?} 0 544 {20.HA} 4.117 0.034 0.043 ++ 0.000 {?} {20.HG2} 2.434 0.041 0.062 ++ 0.000 {?} 0.00000 2.10620 0 {?} 0 545 {20.HA} 4.117 0.033 0.036 ++ 0.000 {?} {20.HG1} 2.524 0.037 0.042 ++ 0.000 {?} 0.00000 1.73300 0 {?} 0 546 {10.HA1} 4.001 0.020 0.062 ++ 0.000 {?} {10.HA2} 3.869 0.018 0.079 ++ 0.000 {?} 0.00000 24.69490 0 {?} 0 547 {10.HA2} 3.878 0.015 0.079 ++ 0.000 {?} {10.HA1} 4.013 0.033 0.059 ++ 0.000 {?} 0.00000 5.70590 0 {?} 0 548 {2.HB1} 3.471 0.038 0.058 ++ 0.000 {?} {2.HB2} 3.366 0.030 0.062 ++ 0.000 {?} 0.00000 12.08860 0 {?} 0 549 {2.HB2} 3.371 0.036 0.061 ++ 0.000 {?} {2.HB1} 3.475 0.027 0.056 ++ 0.000 {?} 0.00000 13.26120 0 {?} 0 550 {?} 0.969 0.041 0.048 ++ 0.000 {?} {?} 3.864 0.052 0.062 ++ 0.000 {?} 0.00000 1.54870 0 {?} 0 551 {1.HG21} 1.078 0.028 0.042 ++ 0.000 {?} {1.HA} 3.996 0.032 0.066 ++ 0.000 {?} 0.00000 1.55750 0 {?} 0 552 {1.HG21} 1.035 0.026 0.035 ++ 0.000 {?} {1.HA} 4.027 0.041 0.057 ++ 0.000 {?} 0.00000 1.69150 0 {?} 0 553 {3.HD11} 0.977 0.052 0.056 ++ 0.000 {?} {3.HA} 3.993 0.057 0.056 ++ 0.000 {?} 0.00000 1.14480 0 {?} 0 554 {15.HB1} 2.004 0.049 0.065 ++ 0.000 {?} {12.HA} 4.563 0.043 0.062 ++ 0.000 {?} 1.00540 1.00540 0 {?} 0 555 {15.HB2} 1.933 0.049 0.062 ++ 0.000 {?} {12.HA} 4.562 0.043 0.061 ++ 0.000 {?} 0.94820 0.94820 0 {?} 0 556 {15.HG1} 1.756 0.038 0.046 ++ 0.000 {?} {12.HA} 4.562 0.044 0.058 ++ 0.000 {?} 0.81540 0.81540 0 {?} 0 557 {12.HA} 4.563 0.033 0.043 ++ 0.000 {?} {15.HG1} 1.757 0.045 0.065 ++ 0.000 {?} 1.44020 1.44020 0 {?} 0 558 {11.HB2} 1.929 0.046 0.057 ++ 0.000 {?} {8.HA} 4.361 0.038 0.058 ++ 0.000 {?} 1.05860 1.05860 0 {?} 0 559 {11.HG1} 1.755 0.024 0.058 ++ 0.000 {?} {8.HA} 4.362 0.031 0.063 ++ 0.000 {?} 0.79580 0.79580 -1 {?} 0 560 {11.HB1} 2.012 0.047 0.059 ++ 0.000 {?} {8.HA} 4.361 0.046 0.057 ++ 0.000 {?} 3.74180 3.74180 0 {?} 0 561 {8.HA} 4.352 0.040 0.048 ++ 0.000 {?} {11.HB1} 2.017 0.058 0.071 ++ 0.000 {?} 6.01630 6.01630 0 {?} 0 562 {20.HG2} 2.435 0.029 0.027 ++ 0.000 {?} {17.HA} 4.216 0.028 0.033 ++ 0.000 {?} 0.55830 0.55830 0 {?} 0 563 {20.HB1} 2.257 0.053 0.065 ++ 0.000 {?} {17.HA} 4.216 0.041 0.068 ++ 0.000 {?} 6.62000 6.62000 0 {?} 0 564 {17.HA} 4.219 0.041 0.051 ++ 0.000 {?} {20.HB1} 2.256 0.080 0.084 ++ 0.000 {?} 9.47930 9.47930 0 {?} 0 565 {?} 2.467 0.036 0.048 ++ 0.000 {?} {?} 4.386 0.034 0.072 ++ 0.000 {?} 0.00000 1.50140 -1 {?} 0 566 {20.HG1} 2.527 0.036 0.048 ++ 0.000 {?} {20.HA} 4.115 0.034 0.059 ++ 0.000 {?} 1.50140 1.50140 0 {?} 0 567 {21.HB1} 2.223 0.036 0.048 ++ 0.000 {?} {18.HA} 4.192 0.034 0.072 ++ 0.000 {?} 1.50140 1.50140 0 {?} 0 568 {18.HA} 4.201 0.036 0.045 ++ 0.000 {?} {21.HB1} 2.241 0.076 0.094 ++ 0.000 {?} 0.84800 0.84800 0 {?} 0 569 {15.HA} 4.174 0.035 0.056 ++ 0.000 {?} {18.HB1} 1.551 0.027 0.081 ++ 0.000 {?} 0.80180 0.80180 0 {?} 0 570 {23.HB1} 1.554 0.043 0.046 ++ 0.000 {?} {20.HA} 4.122 0.027 0.053 ++ 0.000 {?} 0.78770 0.78770 0 {?} 0 571 {7.HG2} 1.428 0.043 0.049 ++ 0.000 {?} {4.HA} 3.853 0.027 0.058 ++ 0.000 {?} 0.78770 0.78770 0 {?} 0 572 {17.HB2} 1.655 0.043 0.061 ++ 0.000 {?} {14.HA2} 3.864 0.052 0.066 ++ 0.000 {?} 0.81910 0.81910 0 {?} 0 573 {17.HB1} 1.765 0.043 0.047 ++ 0.000 {?} {14.HA1} 3.991 0.032 0.048 ++ 0.000 {?} 0.94990 0.94990 0 {?} 0 574 {17.HB1} 1.760 0.046 0.045 ++ 0.000 {?} {14.HA2} 3.874 0.044 0.065 ++ 0.000 {?} 0.91160 0.91160 0 {?} 0 575 {7.HB1} 1.705 0.043 0.061 ++ 0.000 {?} {4.HA} 3.854 0.032 0.045 ++ 0.000 {?} 0.94990 0.94990 0 {?} 0 576 {14.HA1} 3.976 0.040 0.046 ++ 0.000 {?} {17.HB1} 1.649 0.046 0.064 ++ 0.000 {?} 0.69120 0.69120 0 {?} 0 577 {?} 3.852 0.027 0.040 ++ 0.000 {?} {?} 1.429 0.038 0.059 ++ 0.000 {?} 0.00000 1.29920 0 {?} 0 578 {?} 3.850 0.055 0.049 ++ 0.000 {?} {?} 1.702 0.040 0.068 ++ 0.000 {?} 0.00000 3.20840 0 {?} 0 579 {?} 3.877 0.052 0.054 ++ 0.000 {?} {?} 1.754 0.045 0.059 ++ 0.000 {?} 0.00000 0.92760 0 {?} 0 580 {?} 3.994 0.035 0.047 ++ 0.000 {?} {?} 1.559 0.036 0.060 ++ 0.000 {?} 0.00000 5.95590 0 {?} 0 581 {14.HA1} 3.977 0.051 0.045 ++ 0.000 {?} {17.HB1} 1.946 0.040 0.057 ++ 0.000 {?} 1.26420 1.26420 0 {?} 0 582 {14.HA2} 3.883 0.040 0.053 ++ 0.000 {?} {17.HB1} 1.946 0.076 0.056 ++ 0.000 {?} 3.15490 3.15490 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 2 . 6900 Hz . . . 4.76 . . 30900 1 2 . . H 1 H 1 . 6900 Hz . . . 4.76 . . 30900 1 stop_ save_