data_30396 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30396 _Entry.Title ; The clavanin peptide in the presence of TFE (2,2,2-trifluoroethanol), presented a amphipathic alpha-helices from Phe-2 to Val-22 residues ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-11 _Entry.Accession_date 2018-01-11 _Entry.Last_release_date 2018-01-31 _Entry.Original_release_date 2018-01-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30396 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 E. Alves E. S.F. . . 30396 2 L. Liao L. M. . . 30396 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 30396 'Antimicrobial peptides' . 30396 biofilm . 30396 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30396 spectral_peak_list 4 30396 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 24 30396 '1H chemical shifts' 140 30396 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-02-02 . original BMRB . 30396 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6C41 . 30396 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30396 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep27128 _Citation.PubMed_ID 27292548 _Citation.Full_citation . _Citation.Title ; Structural Studies of a Lipid-Binding Peptide from Tunicate Hemocytes with Anti-Biofilm Activity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 27128 _Citation.Page_last 27128 _Citation.Year 2016 _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 O. Silva O. N. . . 30396 1 2 E. Alves E. S. . . 30396 1 3 C. 'de la Fuente-Nunez' C. . . . 30396 1 4 S. Ribeiro S. M. . . 30396 1 5 S. Mandal S. M. . . 30396 1 6 D. Gaspar D. . . . 30396 1 7 A. Veiga A. S. . . 30396 1 8 M. Castanho M. A. . . 30396 1 9 C. Andrade C. A. . . 30396 1 10 J. Nascimento J. M. . . 30396 1 11 I. Fensterseifer I. C. . . 30396 1 12 W. Porto W. F. . . 30396 1 13 J. Correa J. R. . . 30396 1 14 R. Hancock R. E. . . 30396 1 15 S. Korpole S. . . . 30396 1 16 A. Oliveira A. L. . . 30396 1 17 L. Liao L. M. . . 30396 1 18 O. Franco O. L. . . 30396 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30396 _Assembly.ID 1 _Assembly.Name Clavanin-A _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30396 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30396 _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 ; VFQFLGKIIHHVGNFVHGFS HVFX ; _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2670.120 _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 . VAL . 30396 1 2 . PHE . 30396 1 3 . GLN . 30396 1 4 . PHE . 30396 1 5 . LEU . 30396 1 6 . GLY . 30396 1 7 . LYS . 30396 1 8 . ILE . 30396 1 9 . ILE . 30396 1 10 . HIS . 30396 1 11 . HIS . 30396 1 12 . VAL . 30396 1 13 . GLY . 30396 1 14 . ASN . 30396 1 15 . PHE . 30396 1 16 . VAL . 30396 1 17 . HIS . 30396 1 18 . GLY . 30396 1 19 . PHE . 30396 1 20 . SER . 30396 1 21 . HIS . 30396 1 22 . VAL . 30396 1 23 . PHE . 30396 1 24 . NH2 . 30396 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 . VAL 1 1 30396 1 . PHE 2 2 30396 1 . GLN 3 3 30396 1 . PHE 4 4 30396 1 . LEU 5 5 30396 1 . GLY 6 6 30396 1 . LYS 7 7 30396 1 . ILE 8 8 30396 1 . ILE 9 9 30396 1 . HIS 10 10 30396 1 . HIS 11 11 30396 1 . VAL 12 12 30396 1 . GLY 13 13 30396 1 . ASN 14 14 30396 1 . PHE 15 15 30396 1 . VAL 16 16 30396 1 . HIS 17 17 30396 1 . GLY 18 18 30396 1 . PHE 19 19 30396 1 . SER 20 20 30396 1 . HIS 21 21 30396 1 . VAL 22 22 30396 1 . PHE 23 23 30396 1 . NH2 24 24 30396 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 30396 _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 . 7725 organism . 'Styela clava' 'Sea squirt' . . Eukaryota Metazoa Styela clava . . . . . . . . . . . . . 30396 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 30396 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Styela clava' . . 7725 Styela clava . . . . . . . . . . 30396 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 30396 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 30396 NH2 N SMILES ACDLabs 10.04 30396 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 30396 NH2 [NH2] SMILES CACTVS 3.341 30396 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 30396 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 30396 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30396 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 30396 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30396 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 30396 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 30396 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 30396 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 30396 NH2 2 . SING N HN2 no N 2 . 30396 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30396 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM Clavanin A, 35 % [U-99% 2H] TFE, 10 % [U-99% 2H] D2O, 55 % H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TFE '[U-99% 2H]' . . . . . . 35 . . % . . . . 30396 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 30396 1 3 H2O 'natural abundance' . . . . . . 55 . . % . . . . 30396 1 4 'Clavanin A' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 30396 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 30396 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.3 . pH 30396 1 pressure 1 . atm 30396 1 temperature 298 . K 30396 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30396 _Software.ID 1 _Software.Type . _Software.Name X-PLOR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 30396 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30396 1 'structure calculation' 30396 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30396 _Software.ID 2 _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' . . 30396 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30396 2 'peak picking' 30396 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30396 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30396 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30396 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30396 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30396 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30396 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30396 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30396 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 500 . . . 30396 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 30396 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30396 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30396 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30396 1 4 '2D 1H-15N HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30396 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 30396 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . 30396 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 30396 1 N 15 formamide nitrogen . . . . ppm 112.5 external indirect 1.0 . . . . . 30396 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 30396 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 30396 1 2 '2D 1H-1H NOESY' . . . 30396 1 3 '2D 1H-13C HSQC' . . . 30396 1 4 '2D 1H-15N HMQC' . . . 30396 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 3.777 . . . . . . . A 1 VAL HA . 30396 1 2 . 1 1 1 1 VAL HB H 1 2.185 . . . . . . . A 1 VAL HB . 30396 1 3 . 1 1 1 1 VAL HG11 H 1 0.864 . . . . . . . A 1 VAL HG11 . 30396 1 4 . 1 1 1 1 VAL HG12 H 1 0.864 . . . . . . . A 1 VAL HG12 . 30396 1 5 . 1 1 1 1 VAL HG13 H 1 0.864 . . . . . . . A 1 VAL HG13 . 30396 1 6 . 1 1 1 1 VAL HG21 H 1 1.001 . . . . . . . A 1 VAL HG21 . 30396 1 7 . 1 1 1 1 VAL HG22 H 1 1.001 . . . . . . . A 1 VAL HG22 . 30396 1 8 . 1 1 1 1 VAL HG23 H 1 1.001 . . . . . . . A 1 VAL HG23 . 30396 1 9 . 1 1 2 2 PHE H H 1 7.308 . . . . . . . A 2 PHE H . 30396 1 10 . 1 1 2 2 PHE HA H 1 4.708 . . . . . . . A 2 PHE HA . 30396 1 11 . 1 1 2 2 PHE HB3 H 1 3.053 . . . . . . . A 2 PHE HB3 . 30396 1 12 . 1 1 2 2 PHE N N 15 120.583 . . . . . . . A 2 PHE N . 30396 1 13 . 1 1 3 3 GLN H H 1 8.740 . . . . . . . A 3 GLN H . 30396 1 14 . 1 1 3 3 GLN HA H 1 4.174 . . . . . . . A 3 GLN HA . 30396 1 15 . 1 1 3 3 GLN HB2 H 1 1.985 . . . . . . . A 3 GLN HB2 . 30396 1 16 . 1 1 3 3 GLN HB3 H 1 1.969 . . . . . . . A 3 GLN HB3 . 30396 1 17 . 1 1 3 3 GLN HG2 H 1 2.267 . . . . . . . A 3 GLN HG2 . 30396 1 18 . 1 1 3 3 GLN HG3 H 1 2.254 . . . . . . . A 3 GLN HG3 . 30396 1 19 . 1 1 3 3 GLN HE21 H 1 7.341 . . . . . . . A 3 GLN HE21 . 30396 1 20 . 1 1 3 3 GLN HE22 H 1 6.788 . . . . . . . A 3 GLN HE22 . 30396 1 21 . 1 1 3 3 GLN N N 15 118.680 . . . . . . . A 3 GLN N . 30396 1 22 . 1 1 3 3 GLN NE2 N 15 113.275 . . . . . . . A 3 GLN NE2 . 30396 1 23 . 1 1 4 4 PHE H H 1 7.465 . . . . . . . A 4 PHE H . 30396 1 24 . 1 1 4 4 PHE HA H 1 4.569 . . . . . . . A 4 PHE HA . 30396 1 25 . 1 1 4 4 PHE HB3 H 1 3.114 . . . . . . . A 4 PHE HB3 . 30396 1 26 . 1 1 4 4 PHE N N 15 119.069 . . . . . . . A 4 PHE N . 30396 1 27 . 1 1 5 5 LEU H H 1 7.553 . . . . . . . A 5 LEU H . 30396 1 28 . 1 1 5 5 LEU HA H 1 4.115 . . . . . . . A 5 LEU HA . 30396 1 29 . 1 1 5 5 LEU HB2 H 1 1.644 . . . . . . . A 5 LEU HB2 . 30396 1 30 . 1 1 5 5 LEU HB3 H 1 1.647 . . . . . . . A 5 LEU HB3 . 30396 1 31 . 1 1 5 5 LEU HG H 1 1.648 . . . . . . . A 5 LEU HG . 30396 1 32 . 1 1 5 5 LEU HD11 H 1 0.927 . . . . . . . A 5 LEU HD11 . 30396 1 33 . 1 1 5 5 LEU HD12 H 1 0.927 . . . . . . . A 5 LEU HD12 . 30396 1 34 . 1 1 5 5 LEU HD13 H 1 0.927 . . . . . . . A 5 LEU HD13 . 30396 1 35 . 1 1 5 5 LEU HD21 H 1 0.983 . . . . . . . A 5 LEU HD21 . 30396 1 36 . 1 1 5 5 LEU HD22 H 1 0.983 . . . . . . . A 5 LEU HD22 . 30396 1 37 . 1 1 5 5 LEU HD23 H 1 0.983 . . . . . . . A 5 LEU HD23 . 30396 1 38 . 1 1 5 5 LEU N N 15 119.242 . . . . . . . A 5 LEU N . 30396 1 39 . 1 1 6 6 GLY H H 1 8.075 . . . . . . . A 6 GLY H . 30396 1 40 . 1 1 6 6 GLY HA2 H 1 3.781 . . . . . . . A 6 GLY HA2 . 30396 1 41 . 1 1 6 6 GLY HA3 H 1 3.867 . . . . . . . A 6 GLY HA3 . 30396 1 42 . 1 1 6 6 GLY N N 15 110.315 . . . . . . . A 6 GLY N . 30396 1 43 . 1 1 7 7 LYS H H 1 7.744 . . . . . . . A 7 LYS H . 30396 1 44 . 1 1 7 7 LYS HA H 1 4.202 . . . . . . . A 7 LYS HA . 30396 1 45 . 1 1 7 7 LYS HB2 H 1 1.999 . . . . . . . A 7 LYS HB2 . 30396 1 46 . 1 1 7 7 LYS HB3 H 1 1.974 . . . . . . . A 7 LYS HB3 . 30396 1 47 . 1 1 7 7 LYS HG2 H 1 1.484 . . . . . . . A 7 LYS HG2 . 30396 1 48 . 1 1 7 7 LYS HG3 H 1 1.485 . . . . . . . A 7 LYS HG3 . 30396 1 49 . 1 1 7 7 LYS HD2 H 1 1.733 . . . . . . . A 7 LYS HD2 . 30396 1 50 . 1 1 7 7 LYS HD3 H 1 1.652 . . . . . . . A 7 LYS HD3 . 30396 1 51 . 1 1 7 7 LYS HE2 H 1 2.994 . . . . . . . A 7 LYS HE2 . 30396 1 52 . 1 1 7 7 LYS HE3 H 1 2.989 . . . . . . . A 7 LYS HE3 . 30396 1 53 . 1 1 7 7 LYS N N 15 118.818 . . . . . . . A 7 LYS N . 30396 1 54 . 1 1 8 8 ILE H H 1 7.712 . . . . . . . A 8 ILE H . 30396 1 55 . 1 1 8 8 ILE HA H 1 3.870 . . . . . . . A 8 ILE HA . 30396 1 56 . 1 1 8 8 ILE HB H 1 2.111 . . . . . . . A 8 ILE HB . 30396 1 57 . 1 1 8 8 ILE HG12 H 1 1.175 . . . . . . . A 8 ILE HG12 . 30396 1 58 . 1 1 8 8 ILE HG13 H 1 0.930 . . . . . . . A 8 ILE HG13 . 30396 1 59 . 1 1 8 8 ILE HD11 H 1 0.877 . . . . . . . A 8 ILE HD11 . 30396 1 60 . 1 1 8 8 ILE HD12 H 1 0.877 . . . . . . . A 8 ILE HD12 . 30396 1 61 . 1 1 8 8 ILE HD13 H 1 0.877 . . . . . . . A 8 ILE HD13 . 30396 1 62 . 1 1 8 8 ILE N N 15 117.460 . . . . . . . A 8 ILE N . 30396 1 63 . 1 1 9 9 ILE H H 1 8.446 . . . . . . . A 9 ILE H . 30396 1 64 . 1 1 9 9 ILE HA H 1 3.778 . . . . . . . A 9 ILE HA . 30396 1 65 . 1 1 9 9 ILE HB H 1 1.965 . . . . . . . A 9 ILE HB . 30396 1 66 . 1 1 9 9 ILE HG12 H 1 1.232 . . . . . . . A 9 ILE HG12 . 30396 1 67 . 1 1 9 9 ILE HG13 H 1 0.949 . . . . . . . A 9 ILE HG13 . 30396 1 68 . 1 1 9 9 ILE HD11 H 1 0.891 . . . . . . . A 9 ILE HD11 . 30396 1 69 . 1 1 9 9 ILE HD12 H 1 0.891 . . . . . . . A 9 ILE HD12 . 30396 1 70 . 1 1 9 9 ILE HD13 H 1 0.891 . . . . . . . A 9 ILE HD13 . 30396 1 71 . 1 1 9 9 ILE N N 15 117.402 . . . . . . . A 9 ILE N . 30396 1 72 . 1 1 10 10 HIS H H 1 8.145 . . . . . . . A 10 HIS H . 30396 1 73 . 1 1 10 10 HIS HA H 1 4.423 . . . . . . . A 10 HIS HA . 30396 1 74 . 1 1 10 10 HIS HB2 H 1 3.313 . . . . . . . A 10 HIS HB2 . 30396 1 75 . 1 1 10 10 HIS HB3 H 1 3.324 . . . . . . . A 10 HIS HB3 . 30396 1 76 . 1 1 10 10 HIS HD2 H 1 7.219 . . . . . . . A 10 HIS HD2 . 30396 1 77 . 1 1 10 10 HIS HE2 H 1 8.530 . . . . . . . A 10 HIS HE2 . 30396 1 78 . 1 1 10 10 HIS N N 15 117.937 . . . . . . . A 10 HIS N . 30396 1 79 . 1 1 11 11 HIS H H 1 8.202 . . . . . . . A 11 HIS H . 30396 1 80 . 1 1 11 11 HIS HA H 1 4.548 . . . . . . . A 11 HIS HA . 30396 1 81 . 1 1 11 11 HIS HB2 H 1 3.530 . . . . . . . A 11 HIS HB2 . 30396 1 82 . 1 1 11 11 HIS HB3 H 1 3.413 . . . . . . . A 11 HIS HB3 . 30396 1 83 . 1 1 11 11 HIS HD2 H 1 7.145 . . . . . . . A 11 HIS HD2 . 30396 1 84 . 1 1 11 11 HIS HE2 H 1 8.492 . . . . . . . A 11 HIS HE2 . 30396 1 85 . 1 1 11 11 HIS N N 15 118.966 . . . . . . . A 11 HIS N . 30396 1 86 . 1 1 12 12 VAL H H 1 8.647 . . . . . . . A 12 VAL H . 30396 1 87 . 1 1 12 12 VAL HA H 1 3.830 . . . . . . . A 12 VAL HA . 30396 1 88 . 1 1 12 12 VAL HB H 1 2.209 . . . . . . . A 12 VAL HB . 30396 1 89 . 1 1 12 12 VAL HG11 H 1 1.000 . . . . . . . A 12 VAL HG11 . 30396 1 90 . 1 1 12 12 VAL HG12 H 1 1.000 . . . . . . . A 12 VAL HG12 . 30396 1 91 . 1 1 12 12 VAL HG13 H 1 1.000 . . . . . . . A 12 VAL HG13 . 30396 1 92 . 1 1 12 12 VAL HG21 H 1 1.102 . . . . . . . A 12 VAL HG21 . 30396 1 93 . 1 1 12 12 VAL HG22 H 1 1.102 . . . . . . . A 12 VAL HG22 . 30396 1 94 . 1 1 12 12 VAL HG23 H 1 1.102 . . . . . . . A 12 VAL HG23 . 30396 1 95 . 1 1 12 12 VAL N N 15 117.922 . . . . . . . A 12 VAL N . 30396 1 96 . 1 1 13 13 GLY H H 1 8.610 . . . . . . . A 13 GLY H . 30396 1 97 . 1 1 13 13 GLY HA2 H 1 3.899 . . . . . . . A 13 GLY HA2 . 30396 1 98 . 1 1 13 13 GLY HA3 H 1 3.809 . . . . . . . A 13 GLY HA3 . 30396 1 99 . 1 1 13 13 GLY N N 15 110.534 . . . . . . . A 13 GLY N . 30396 1 100 . 1 1 14 14 ASN H H 1 7.995 . . . . . . . A 14 ASN H . 30396 1 101 . 1 1 14 14 ASN HA H 1 4.574 . . . . . . . A 14 ASN HA . 30396 1 102 . 1 1 14 14 ASN HB2 H 1 2.818 . . . . . . . A 14 ASN HB2 . 30396 1 103 . 1 1 14 14 ASN HB3 H 1 2.766 . . . . . . . A 14 ASN HB3 . 30396 1 104 . 1 1 14 14 ASN HD21 H 1 6.733 . . . . . . . A 14 ASN HD21 . 30396 1 105 . 1 1 14 14 ASN HD22 H 1 7.454 . . . . . . . A 14 ASN HD22 . 30396 1 106 . 1 1 14 14 ASN N N 15 118.779 . . . . . . . A 14 ASN N . 30396 1 107 . 1 1 14 14 ASN ND2 N 15 113.842 . . . . . . . A 14 ASN ND2 . 30396 1 108 . 1 1 15 15 PHE H H 1 8.111 . . . . . . . A 15 PHE H . 30396 1 109 . 1 1 15 15 PHE HA H 1 4.426 . . . . . . . A 15 PHE HA . 30396 1 110 . 1 1 15 15 PHE HB2 H 1 3.302 . . . . . . . A 15 PHE HB2 . 30396 1 111 . 1 1 15 15 PHE HB3 H 1 3.104 . . . . . . . A 15 PHE HB3 . 30396 1 112 . 1 1 15 15 PHE N N 15 119.908 . . . . . . . A 15 PHE N . 30396 1 113 . 1 1 16 16 VAL H H 1 8.497 . . . . . . . A 16 VAL H . 30396 1 114 . 1 1 16 16 VAL HA H 1 3.734 . . . . . . . A 16 VAL HA . 30396 1 115 . 1 1 16 16 VAL HB H 1 2.115 . . . . . . . A 16 VAL HB . 30396 1 116 . 1 1 16 16 VAL HG11 H 1 1.065 . . . . . . . A 16 VAL HG11 . 30396 1 117 . 1 1 16 16 VAL HG12 H 1 1.065 . . . . . . . A 16 VAL HG12 . 30396 1 118 . 1 1 16 16 VAL HG13 H 1 1.065 . . . . . . . A 16 VAL HG13 . 30396 1 119 . 1 1 16 16 VAL HG21 H 1 0.921 . . . . . . . A 16 VAL HG21 . 30396 1 120 . 1 1 16 16 VAL HG22 H 1 0.921 . . . . . . . A 16 VAL HG22 . 30396 1 121 . 1 1 16 16 VAL HG23 H 1 0.921 . . . . . . . A 16 VAL HG23 . 30396 1 122 . 1 1 16 16 VAL N N 15 118.471 . . . . . . . A 16 VAL N . 30396 1 123 . 1 1 17 17 HIS H H 1 8.280 . . . . . . . A 17 HIS H . 30396 1 124 . 1 1 17 17 HIS HA H 1 4.537 . . . . . . . A 17 HIS HA . 30396 1 125 . 1 1 17 17 HIS HB2 H 1 3.318 . . . . . . . A 17 HIS HB2 . 30396 1 126 . 1 1 17 17 HIS HB3 H 1 3.317 . . . . . . . A 17 HIS HB3 . 30396 1 127 . 1 1 17 17 HIS HD2 H 1 7.321 . . . . . . . A 17 HIS HD2 . 30396 1 128 . 1 1 17 17 HIS HE2 H 1 8.447 . . . . . . . A 17 HIS HE2 . 30396 1 129 . 1 1 17 17 HIS N N 15 117.803 . . . . . . . A 17 HIS N . 30396 1 130 . 1 1 18 18 GLY H H 1 8.094 . . . . . . . A 18 GLY H . 30396 1 131 . 1 1 18 18 GLY HA2 H 1 3.913 . . . . . . . A 18 GLY HA2 . 30396 1 132 . 1 1 18 18 GLY N N 15 112.253 . . . . . . . A 18 GLY N . 30396 1 133 . 1 1 19 19 PHE H H 1 8.209 . . . . . . . A 19 PHE H . 30396 1 134 . 1 1 19 19 PHE HA H 1 4.419 . . . . . . . A 19 PHE HA . 30396 1 135 . 1 1 19 19 PHE HB2 H 1 3.073 . . . . . . . A 19 PHE HB2 . 30396 1 136 . 1 1 19 19 PHE HB3 H 1 2.907 . . . . . . . A 19 PHE HB3 . 30396 1 137 . 1 1 19 19 PHE N N 15 119.256 . . . . . . . A 19 PHE N . 30396 1 138 . 1 1 20 20 SER H H 1 8.122 . . . . . . . A 20 SER H . 30396 1 139 . 1 1 20 20 SER HA H 1 4.258 . . . . . . . A 20 SER HA . 30396 1 140 . 1 1 20 20 SER HB3 H 1 3.911 . . . . . . . A 20 SER HB3 . 30396 1 141 . 1 1 20 20 SER N N 15 116.819 . . . . . . . A 20 SER N . 30396 1 142 . 1 1 21 21 HIS H H 1 8.066 . . . . . . . A 21 HIS H . 30396 1 143 . 1 1 21 21 HIS HA H 1 4.671 . . . . . . . A 21 HIS HA . 30396 1 144 . 1 1 21 21 HIS HB2 H 1 3.204 . . . . . . . A 21 HIS HB2 . 30396 1 145 . 1 1 21 21 HIS HB3 H 1 3.284 . . . . . . . A 21 HIS HB3 . 30396 1 146 . 1 1 21 21 HIS HD2 H 1 7.213 . . . . . . . A 21 HIS HD2 . 30396 1 147 . 1 1 21 21 HIS HE1 H 1 8.538 . . . . . . . A 21 HIS HE1 . 30396 1 148 . 1 1 21 21 HIS HE2 H 1 7.221 . . . . . . . A 21 HIS HE2 . 30396 1 149 . 1 1 21 21 HIS N N 15 117.926 . . . . . . . A 21 HIS N . 30396 1 150 . 1 1 22 22 VAL H H 1 7.809 . . . . . . . A 22 VAL H . 30396 1 151 . 1 1 22 22 VAL HA H 1 3.897 . . . . . . . A 22 VAL HA . 30396 1 152 . 1 1 22 22 VAL HB H 1 1.846 . . . . . . . A 22 VAL HB . 30396 1 153 . 1 1 22 22 VAL HG11 H 1 0.596 . . . . . . . A 22 VAL HG11 . 30396 1 154 . 1 1 22 22 VAL HG12 H 1 0.596 . . . . . . . A 22 VAL HG12 . 30396 1 155 . 1 1 22 22 VAL HG13 H 1 0.596 . . . . . . . A 22 VAL HG13 . 30396 1 156 . 1 1 22 22 VAL HG21 H 1 0.823 . . . . . . . A 22 VAL HG21 . 30396 1 157 . 1 1 22 22 VAL HG22 H 1 0.823 . . . . . . . A 22 VAL HG22 . 30396 1 158 . 1 1 22 22 VAL HG23 H 1 0.823 . . . . . . . A 22 VAL HG23 . 30396 1 159 . 1 1 22 22 VAL N N 15 118.840 . . . . . . . A 22 VAL N . 30396 1 160 . 1 1 23 23 PHE H H 1 7.857 . . . . . . . A 23 PHE H . 30396 1 161 . 1 1 23 23 PHE HA H 1 4.578 . . . . . . . A 23 PHE HA . 30396 1 162 . 1 1 23 23 PHE HB2 H 1 2.744 . . . . . . . A 23 PHE HB2 . 30396 1 163 . 1 1 23 23 PHE HB3 H 1 2.989 . . . . . . . A 23 PHE HB3 . 30396 1 164 . 1 1 23 23 PHE N N 15 118.044 . . . . . . . A 23 PHE N . 30396 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 30396 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1Hx 13C hsqc212.nv 6009.61523437 11312.2167969 500.132995605 125.762001038 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 0 {2.HA} 4.71034 0.04133 0.04314 ++ {0.0} {} {2.CA} 58.94244 0.43599 0.46713 ++ {0.0} {} 0.0 29.5619 0 {} 0 1 {21.HA} 4.61730 0.03775 0.04250 ++ {0.0} {} {21.CA} 57.40378 0.33316 0.38770 ++ {0.0} {} 0.0 32.8246 0 {} 0 2 {23.HA} 4.56756 0.04661 0.06487 ++ {0.0} {} {23.CA} 59.62537 0.45650 0.69999 ++ {0.0} {} 0.0 58.8277 0 {} 0 3 {4.HA} 4.56049 0.05521 0.07462 ++ {0.0} {} {4.CA} 58.61520 0.45754 0.45402 ++ {0.0} {} 0.0 47.2871 0 {} 0 4 {14.HA} 4.58333 0.03233 0.04619 ++ {0.0} {} {14.CA} 56.45752 0.45705 0.41839 ++ {0.0} {} 0.0 25.3097 0 {} 0 5 {5.HA} 4.12437 0.04107 0.05867 ++ {0.0} {} {5.CA} 58.68163 0.43651 0.52669 ++ {0.0} {} 0.0 34.5979 0 {} 0 6 {3.HA} 4.17234 0.04107 0.05867 ++ {0.0} {} {3.CA} 58.67069 0.43305 0.58310 ++ {0.0} {} 0.0 42.0050 0 {} 0 7 {7.HA} 4.20766 0.03526 0.04346 ++ {0.0} {} {7.CA} 60.30092 0.45722 0.58413 ++ {0.0} {} 0.0 37.9975 0 {} 0 8 {20.HA} 4.26960 0.03830 0.05451 ++ {0.0} {} {20.CA} 60.80803 0.47663 0.62447 ++ {0.0} {} 0.0 39.7946 0 {} 0 9 {10.HA} 4.42944 0.01241 0.04562 ++ {0.0} {} {10.CA} 59.63483 0.64841 0.69838 ++ {0.0} {} 0.0 26.7421 0 {} 0 10 {15.HA} 4.43313 0.01280 0.01829 ++ {0.0} {} {15.CA} 61.36190 0.60515 0.43169 ++ {0.0} {} 0.0 26.6690 0 {} 0 11 {19.HA} 4.43175 0.02978 0.02900 ++ {0.0} {} {19.CA} 60.45458 0.55287 0.54135 ++ {0.0} {} 0.0 33.6127 0 {} 0 12 {6.HA1} 3.81565 0.01644 0.02349 ++ {0.0} {} {6.CA} 47.78002 0.53738 0.23038 ++ {0.0} {} 0.0 34.1216 0 {} 0 13 {18.HA2} 3.91820 0.03424 0.03981 ++ {0.0} {} {18.CA} 47.10476 0.49625 0.58542 ++ {0.0} {} 0.0 65.3595 0 {} 0 14 {13.HA2} 3.88017 0.02166 0.03094 ++ {0.0} {} {13.CA} 47.98704 0.68432 0.27573 ++ {0.0} {} 0.0 33.5706 0 {} 0 15 {16.HA} 3.74149 0.04786 0.04713 ++ {0.0} {} {16.CA} 65.96864 0.35184 0.34617 ++ {0.0} {} 0.0 52.7642 -1 {} 0 16 {8.HA} 3.91150 0.04566 0.06420 ++ {0.0} {} {8.CA} 64.49861 0.47811 0.67779 ++ {0.0} {} 0.0 92.0672 0 {} 0 17 {9.HA} 3.78189 0.03565 0.03688 ++ {0.0} {} {9.CA} 62.50048 0.44622 0.46370 ++ {0.0} {} 0.0 55.8007 0 {} 0 18 {11.HA} 4.54908 0.00694 0.07092 ++ {0.0} {} {11.CA} 58.38766 0.10927 0.58820 ++ {0.0} {} 0.0 23.3575 0 {} 0 19 {12.HA} 3.85189 0.04202 0.08804 ++ {0.0} {} {12.CA} 73.12331 0.39293 1.15159 ++ {0.0} {} 0.0 673.8650 0 {} 0 20 {22.HA} 3.89088 0.05603 0.08869 ++ {0.0} {} {22.CA} 66.90490 0.44888 1.18244 ++ {0.0} {} 0.0 761.2100 0 {} 0 21 {} 4.98346 0.06146 0.12123 ++ {0.0} {} {} 70.88417 0.50394 1.25731 ++ {0.0} {} 0.0 480.0394 0 {} 0 22 {16.HA} 3.73265 0.05593 0.08047 ++ {0.0} {} {16.CA} 67.07195 0.67140 0.46258 ++ {0.0} {} 0.0 680.7730 0 {} 0 23 {17.HB1} 3.32142 0.04877 0.11279 ++ {0.0} {} {17.CB} 29.32482 0.49021 0.98800 ++ {0.0} {} 0.0 120.4230 0 {} 0 24 {21.HB1} 3.20466 0.05061 0.04850 ++ {0.0} {} {21.CB} 29.51792 0.43745 0.42245 ++ {0.0} {} 0.0 41.4694 0 {} 0 25 {11.HB2} 3.53976 0.03604 0.02480 ++ {0.0} {} {11.CB} 29.74431 0.44540 0.25794 ++ {0.0} {} 0.0 24.1496 0 {} 0 26 {10.HB2} 3.32142 0.07550 0.14917 ++ {0.0} {} {10.CB} 29.32482 0.49021 1.08464 ++ {0.0} {} 0.0 120.4230 0 {} 0 27 {15.HB2} 3.30514 0.05663 0.05050 ++ {0.0} {} {15.CB} 40.32726 0.66396 0.54166 ++ {0.0} {} 0.0 28.9761 0 {} 0 28 {23.HB2} 3.15482 0.08163 0.09757 ++ {0.0} {} {23.CB} 40.62204 0.50117 0.64989 ++ {0.0} {} 0.0 48.7918 0 {} 0 29 {19.HB2} 3.06786 0.05002 0.09462 ++ {0.0} {} {19.CB} 40.05032 0.50389 1.08012 ++ {0.0} {} 0.0 117.0360 0 {} 0 30 {14.HB2} 2.83215 0.06345 0.05116 ++ {0.0} {} {14.CB} 39.54114 0.45123 0.37984 ++ {0.0} {} 0.0 29.6263 0 {} 0 31 {14.HB1} 2.77075 0.05750 0.08214 ++ {0.0} {} {14.CB} 39.51089 0.35802 0.31089 ++ {0.0} {} 0.0 30.3217 0 {} 0 32 {23.HB1} 2.77829 0.06420 0.06540 ++ {0.0} {} {23.CB} 40.62280 0.37341 0.38572 ++ {0.0} {} 0.0 35.4828 0 {} 0 33 {11.HB1} 3.40518 0.01375 0.01964 ++ {0.0} {} {11.CB} 52.57992 0.40042 0.32890 ++ {0.0} {} 0.0 29.1136 0 {} 0 34 {1.HA} 3.80444 0.02464 0.17362 ++ {0.0} {} {1.CA} 74.84096 0.49271 1.25051 ++ {0.0} {} 0.0 63.8007 0 {} 0 35 {20.HB2} 3.91284 0.05603 0.09070 ++ {0.0} {} {20.CB} 67.08366 0.44888 1.24102 ++ {0.0} {} 0.0 761.2100 0 {} 0 36 {} 3.97139 0.03071 0.06026 ++ {0.0} {} {} 62.83723 0.64794 1.18665 ++ {0.0} {} 0.0 615.6208 0 {} 0 37 {7.HE1} 2.99243 0.03451 0.06714 ++ {0.0} {} {7.CE} 43.09582 0.42410 0.78993 ++ {0.0} {} 0.0 122.9190 0 {} 0 38 {19.HB1} 2.91631 0.04970 0.05498 ++ {0.0} {} {19.CB} 40.30564 0.63350 0.74161 ++ {0.0} {} 0.0 39.6975 0 {} 0 39 {17.HA} 4.54943 0.03071 0.06797 ++ {0.0} {} {17.CA} 58.52663 0.64794 0.74862 ++ {0.0} {} 0.0 615.6210 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 . . 6009.615 ppm . . . 2786.97 . . 30396 1 2 . . C 13 CA . . 11319.045 ppm . . . 4401.52 . . 30396 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30396 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '2D 1H-15N HMQC' _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 1Hx 15N Nhmqc241.nv 4401.40869141 1000.0 500.132995605 50.6839981079 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U vol int stat comment flag0 0 {19.HN} 8.15411 0.01815 0.02593 ++ {0.0} {} {19.N} 119.90306 0.25089 0.35842 ++ {0.0} {} 50.4350013733 17.9215 0 {} 0 1 {11.HN} 8.19225 0.01702 0.02432 ++ {0.0} {} {11.N} 119.21844 0.29493 0.42132 ++ {0.0} {} 59.220199585 22.5003 0 {} 0 2 {7.HN} 7.63512 0.03085 0.03371 ++ {0.0} {} {7.N} 119.22243 0.41549 0.45038 ++ {0.0} {} 183.345993042 32.6573 0 {} 0 3 {17.HN} 8.27616 0.02910 0.03577 ++ {0.0} {} {17.N} 117.80299 0.48473 0.30886 ++ {0.0} {} 165.972000122 27.8551 0 {} 0 4 {14.HN} 7.93875 0.03100 0.03810 ++ {0.0} {} {14.N} 118.77925 0.49844 0.54559 ++ {0.0} {} 251.871002197 35.2435 0 {} 0 5 {22.HN} 7.80407 0.04032 0.09253 ++ {0.0} {} {22.N} 118.88840 0.38514 0.57343 ++ {0.0} {} 305.5 51.3760 0 {} 0 6 {3.HN} 8.73993 0.04474 0.04236 ++ {0.0} {} {3.N} 118.67967 0.34096 0.32341 ++ {0.0} {} 156.95199585 27.5713 0 {} 0 7 {16.HN} 8.52627 0.02910 0.03621 ++ {0.0} {} {16.N} 118.47108 0.49525 0.56156 ++ {0.0} {} 260.92401123 38.1032 0 {} 0 8 {10.HN} 8.13859 0.02213 0.03162 ++ {0.0} {} {10.N} 117.95742 0.45384 0.39991 ++ {0.0} {} 84.0344009399 26.8818 0 {} 0 9 {} 7.90297 0.03593 0.04305 ++ {0.0} {} {} 116.98769 0.37928 0.43159 ++ {0.0} {} 229.253097534 38.0689 -1 {} 0 10 {12.HN} 8.59933 0.02989 0.01868 ++ {0.0} {} {12.N} 117.89368 0.19706 0.28152 ++ {0.0} {} 36.8392982483 21.5504 0 {} 0 11 {15.HN} 8.29434 0.01911 0.05919 ++ {0.0} {} {15.N} 118.92282 0.17564 0.46841 ++ {0.0} {} 21.1131000519 21.1131 0 {} 0 12 {21.HN} 8.07780 0.02839 0.01902 ++ {0.0} {} {21.NE2} 117.90675 0.17019 0.24313 ++ {0.0} {} 44.4835014343 22.2871 0 {} 0 13 {9.HN} 8.36225 0.03396 0.03337 ++ {0.0} {} {9.N} 117.40244 0.44589 0.44107 ++ {0.0} {} 151.279998779 29.1300 0 {} 0 14 {8.HN} 7.54940 0.02717 0.02677 ++ {0.0} {} {8.N} 117.39356 0.47541 0.47080 ++ {0.0} {} 114.852996826 29.1985 0 {} 0 15 {20.HN} 8.23005 0.03051 0.03450 ++ {0.0} {} {20.N} 116.82364 0.37054 0.40547 ++ {0.0} {} 130.444000244 34.0113 0 {} 0 16 {} 8.20837 0.02039 0.02913 ++ {0.0} {} {} 115.55052 0.36903 0.32275 ++ {0.0} {} 55.7432022095 24.1656 0 {} 0 17 {} 7.53943 0.05478 0.05954 ++ {0.0} {} {} 113.87225 0.49778 0.56308 ++ {0.0} {} 280.308685303 35.4218 0 {} 0 18 {14.HD22} 7.42302 0.02597 0.03876 ++ {0.0} {} {14.ND2} 113.84693 0.41956 0.53073 ++ {0.0} {} 187.604003906 50.3689 0 {} 0 19 {3.HE21} 7.34349 0.02620 0.04218 ++ {0.0} {} {3.NE2} 113.27470 0.00561 0.47244 ++ {0.0} {} 14.9638004303 14.9638 0 {} 0 20 {18.HN} 8.19095 0.05652 0.05364 ++ {0.0} {} {18.N} 112.24326 0.29643 0.27508 ++ {0.0} {} 139.60899353 27.6458 0 {} 0 21 {} 6.87387 0.03410 0.05157 ++ {0.0} {} {} 113.85475 0.47746 0.57160 ++ {0.0} {} 278.954559326 41.4591 0 {} 0 22 {} 6.81684 0.03500 0.05110 ++ {0.0} {} {} 113.88206 0.41656 0.52956 ++ {0.0} {} 237.347702026 42.8668 0 {} 0 23 {13.HN} 8.69102 0.02014 0.02877 ++ {0.0} {} {13.N} 112.04465 0.25726 0.17879 ++ {0.0} {} 41.1786003113 22.7096 0 {} 0 24 {} 7.26099 0.03965 0.04803 ++ {0.0} {} {} 111.44701 0.38427 0.51280 ++ {0.0} {} 243.49520874 42.9664 0 {} 0 25 {13.HN} 8.53766 0.02560 0.00564 ++ {0.0} {} {13.N} 110.53012 0.12755 0.18221 ++ {0.0} {} 16.6539993286 16.6540 -1 {} 0 26 {6.HN} 8.15984 0.02650 0.01836 ++ {0.0} {} {6.N} 110.31064 0.39956 0.33165 ++ {0.0} {} 72.5439987183 22.6728 0 {} 0 27 {} 7.03368 0.03270 0.04518 ++ {0.0} {} {} 111.44052 0.39541 0.52730 ++ {0.0} {} 242.057495117 41.9355 0 {} 0 28 {} 7.00436 0.00263 0.00895 ++ {0.0} {} {} 110.61655 0.02730 0.07156 ++ {0.0} {} 15.3191204071 15.3191 0 {} 0 29 {2.HN} 7.31680 0.02671 0.01663 ++ {0.0} {} {2.N} 120.58315 0.20387 0.29124 ++ {0.0} {} 30.1198997498 17.2152 0 {} 0 30 {} 7.22966 0.05126 0.04086 ++ {0.0} {} {} 124.00555 0.48666 0.43221 ++ {0.0} {} 139.136642456 20.6532 0 {} 0 31 {4.HN} 7.47109 0.02286 0.01203 ++ {0.0} {} {4.N} 122.67098 0.19636 0.28052 ++ {0.0} {} 16.0902996063 16.0903 0 {} 0 32 {5.HN} 7.55421 0.01392 0.01988 ++ {0.0} {} {5.N} 119.03732 0.15934 0.22762 ++ {0.0} {} 15.2115001678 15.2115 0 {} 0 33 {} 7.22655 0.01443 0.02062 ++ {0.0} {} {} 122.01520 0.34035 0.48622 ++ {0.0} {} 44.9981651306 16.2691 0 {} 0 34 {} 7.53852 0.02876 0.01883 ++ {0.0} {} {} 109.22724 0.50023 0.38085 ++ {0.0} {} 72.2253189087 17.6235 0 {} 0 35 {} 6.83006 0.02760 0.01880 ++ {0.0} {} {} 108.45234 0.49499 0.38273 ++ {0.0} {} 56.6131134033 17.9772 0 {} 0 36 {23.HN} 7.88635 0.04032 0.07799 ++ {0.0} {} {23.N} 118.06096 0.38514 0.49742 ++ {0.0} {} 0.0 51.3760 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 . . 8802.817 ppm . . . 2815.73 . . 30396 2 2 . . N 15 N . . 2000.000 ppm . . . 5979.97 . . 30396 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30396 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _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 1Hx 1Hy tocsy606.nv 6009.61523437 6009.61523437 500.132995605 500.132995605 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 0 {} 8.74188 0.01005 0.01436 ++ {0.0} {} {} 4.06332 0.01163 0.00706 ++ {0.0} {} -683.370544434 -148.7593 -1 {} 0 1 {3.HN} 8.73745 0.02350 0.04381 ++ {0.0} {} {3.HA} 4.17036 0.06822 0.15190 ++ {0.0} {} 12382.8535156 1582.7966 0 {} 0 2 {3.HN} 8.74102 0.02328 0.03592 ++ {0.0} {} {3.HG1} 2.27039 0.06001 0.12581 ++ {0.0} {} 3820.66479492 481.2768 0 {} 0 3 {3.HN} 8.74032 0.02300 0.03488 ++ {0.0} {} {3.HB1} 1.96785 0.10345 0.13219 ++ {0.0} {} 8023.24658203 511.3588 0 {} 0 4 {3.HA} 4.17233 0.02635 0.03667 ++ {0.0} {} {3.HN} 8.74939 0.05248 0.11456 ++ {0.0} {} 7494.57226563 876.4978 0 {} 0 5 {3.HG2} 2.26891 0.03889 0.03309 ++ {0.0} {} {3.HN} 8.74322 0.05274 0.05993 ++ {0.0} {} 2696.86254883 191.8145 0 {} 0 6 {3.HB2} 1.99101 0.02106 0.02415 ++ {0.0} {} {3.HN} 8.73030 0.05271 0.03878 ++ {0.0} {} 1178.98937988 141.7903 0 {} 0 7 {3.HG2} 2.27645 0.02259 0.06599 ++ {0.0} {} {3.HA} 4.17474 0.07166 0.09761 ++ {0.0} {} 5550.24853516 491.4954 0 {} 0 8 {3.HG1} 2.24997 0.01848 0.04740 ++ {0.0} {} {3.HA} 4.17705 0.07127 0.10575 ++ {0.0} {} 4625.17041016 471.8151 0 {} 0 9 {3.HB2} 1.98563 0.07223 0.13034 ++ {0.0} {} {3.HA} 4.17522 0.07066 0.15344 ++ {0.0} {} 25282.2578125 790.0958 0 {} 0 10 {3.HA} 4.17465 0.02924 0.04450 ++ {0.0} {} {3.HG1} 2.26164 0.06186 0.12907 ++ {0.0} {} 7317.61035156 681.4818 0 {} 0 11 {3.HA} 4.17429 0.05719 0.07497 ++ {0.0} {} {3.HB1} 1.96255 0.08878 0.17406 ++ {0.0} {} 27701.4355469 909.1191 0 {} 0 12 {} 4.19954 0.02788 0.03983 ++ {0.0} {} {} 1.48531 0.07953 0.06272 ++ {0.0} {} 1867.17626953 109.4961 -1 {} 0 13 {3.HG1} 2.23592 0.06738 0.07563 ++ {0.0} {} {3.HB1} 1.96839 0.09048 0.18428 ++ {0.0} {} 33315.859375 1053.7008 0 {} 0 14 {3.HG2} 2.26168 0.06738 0.08207 ++ {0.0} {} {3.HB1} 1.97549 0.09048 0.18428 ++ {0.0} {} 40763.0898437 1053.7008 0 {} 0 15 {3.HB2} 1.97967 0.09806 0.13582 ++ {0.0} {} {3.HG2} 2.25916 0.06991 0.15414 ++ {0.0} {} 30518.9042969 736.4396 0 {} 0 16 {12.HN} 8.64364 0.02884 0.05292 ++ {0.0} {} {12.HA} 3.83525 0.05767 0.12184 ++ {0.0} {} 7102.98828125 770.6497 0 {} 0 17 {12.HN} 8.64744 0.02585 0.03807 ++ {0.0} {} {12.HB} 2.22026 0.05678 0.08788 ++ {0.0} {} 2598.32836914 293.3262 0 {} 0 18 {12.HN} 8.65110 0.02198 0.03403 ++ {0.0} {} {12.HG21} 1.11451 0.04910 0.08137 ++ {0.0} {} 2906.26855469 386.8278 0 {} 0 19 {12.HN} 8.64900 0.02213 0.03528 ++ {0.0} {} {12.HG11} 0.99490 0.05046 0.08661 ++ {0.0} {} 3470.06298828 467.3946 0 {} 0 20 {} 2.21490 0.02747 0.04566 ++ {0.0} {} {} 3.82984 0.06687 0.08467 ++ {0.0} {} 1819.6784668 447.2341 0 {} 0 21 {12.HB} 2.19868 0.02747 0.05377 ++ {0.0} {} {12.HA} 3.83342 0.06687 0.09183 ++ {0.0} {} 1512.66748047 447.2341 0 {} 0 22 {12.HG21} 1.09784 0.02965 0.04699 ++ {0.0} {} {12.HA} 3.83585 0.05696 0.14128 ++ {0.0} {} 10263.6914062 1101.9850 0 {} 0 23 {12.HG11} 0.99121 0.02815 0.03458 ++ {0.0} {} {12.HA} 3.85041 0.13731 0.13209 ++ {0.0} {} 30320.0898437 2820.8125 0 {} 0 24 {12.HG11} 0.99679 0.02996 0.05280 ++ {0.0} {} {12.HN} 8.65099 0.04544 0.11092 ++ {0.0} {} 2756.80664062 275.0372 0 {} 0 25 {12.HG21} 1.09790 0.02216 0.04853 ++ {0.0} {} {12.HN} 8.65357 0.04526 0.11199 ++ {0.0} {} 1712.25036621 198.4609 0 {} 0 26 {12.HB} 2.21224 0.01848 0.06657 ++ {0.0} {} {12.HN} 8.65387 0.05514 0.12312 ++ {0.0} {} 1168.64526367 140.6702 0 {} 0 27 {12.HG21} 1.09406 0.02415 0.02808 ++ {0.0} {} {12.HB} 2.20664 0.08491 0.10580 ++ {0.0} {} 16062.078125 979.6166 0 {} 0 28 {12.HG21} 1.09794 0.02779 0.05836 ++ {0.0} {} {12.HG21} 1.10979 0.04810 0.11652 ++ {0.0} {} 69798.2421875 7400.6016 -1 {} 0 29 {} 1.24724 0.02779 0.05836 ++ {0.0} {} {} 1.01842 0.04810 0.09106 ++ {0.0} {} -131.559448242 7400.6016 -1 {} 0 30 {12.HG21} 1.09690 0.02589 0.03885 ++ {0.0} {} {12.HG11} 0.99213 0.05429 0.10048 ++ {0.0} {} 29392.9160156 3054.2732 0 {} 0 31 {12.HG11} 0.99462 0.02407 0.03989 ++ {0.0} {} {12.HG21} 1.10898 0.04367 0.07754 ++ {0.0} {} 30787.5820313 3523.9570 0 {} 0 32 {12.HG11} 0.99733 0.04151 0.05778 ++ {0.0} {} {12.HB} 2.22419 0.10404 0.13244 ++ {0.0} {} 56591.5 3336.9600 0 {} 0 33 {12.HB} 2.19390 0.02259 0.11033 ++ {0.0} {} {12.HG11} 1.02366 0.05561 0.14654 ++ {0.0} {} 12646.2480469 1344.2269 0 {} 0 34 {4.HN} 7.46825 0.02638 0.05894 ++ {0.0} {} {4.HA} 4.57575 0.04776 0.14414 ++ {0.0} {} 9013.15234375 1028.0969 0 {} 0 35 {4.HN} 7.46620 0.02660 0.05868 ++ {0.0} {} {4.HB1} 3.11995 0.05566 0.14747 ++ {0.0} {} 14089.9863281 1590.6949 0 {} 0 36 {4.HB1} 3.11195 0.03355 0.05750 ++ {0.0} {} {4.HA} 4.56770 0.05118 0.14045 ++ {0.0} {} 13603.1884766 1096.9760 0 {} 0 37 {4.HB1} 3.11093 0.03249 0.05247 ++ {0.0} {} {4.HN} 7.46314 0.05796 0.09653 ++ {0.0} {} 11973.3505859 1102.9528 0 {} 0 38 {4.HA} 4.56259 0.02071 0.01811 ++ {0.0} {} {4.HN} 7.46122 0.06278 0.05373 ++ {0.0} {} 346.420806885 59.3493 0 {} 0 39 {5.HN} 7.55189 0.02220 0.04409 ++ {0.0} {} {5.HA} 4.11870 0.05856 0.14103 ++ {0.0} {} 7765.6015625 1020.8854 0 {} 0 40 {5.HN} 7.55160 0.02581 0.04910 ++ {0.0} {} {5.HG} 1.64702 0.06395 0.11185 ++ {0.0} {} 4698.65771484 573.0462 0 {} 0 41 {5.HN} 7.55156 0.01648 0.02285 ++ {0.0} {} {5.HD11} 0.95167 0.07220 0.11189 ++ {0.0} {} 931.307922363 101.9415 0 {} 0 42 {5.HN} 7.55160 0.02581 0.05248 ++ {0.0} {} {5.HB2} 1.64702 0.06395 0.16489 ++ {0.0} {} 4698.65771484 573.0462 0 {} 0 43 {5.HB1} 1.64859 0.05316 0.10037 ++ {0.0} {} {5.HA} 4.11985 0.09898 0.16323 ++ {0.0} {} 22187.5214844 762.6619 0 {} 0 44 {5.HD21} 0.98397 0.02636 0.04003 ++ {0.0} {} {5.HA} 4.11828 0.06769 0.14787 ++ {0.0} {} 5009.90527344 545.9346 0 {} 0 45 {5.HD11} 0.92517 0.03017 0.04759 ++ {0.0} {} {5.HA} 4.11798 0.06955 0.14457 ++ {0.0} {} 6492.26513672 513.8056 0 {} 0 46 {7.HB2} 1.98328 0.05260 0.10507 ++ {0.0} {} {7.HA} 4.13828 0.06036 0.09178 ++ {0.0} {} 5255.17041016 345.8404 0 {} 0 47 {5.HG} 1.64859 0.05316 0.10649 ++ {0.0} {} {5.HA} 4.11985 0.09898 0.16680 ++ {0.0} {} 22187.5214844 762.6619 0 {} 0 48 {5.HD21} 0.98285 0.02299 0.04380 ++ {0.0} {} {5.HB2} 1.64189 0.11750 0.29724 ++ {0.0} {} 47542.59375 2975.8669 0 {} 0 49 {5.HD11} 0.92558 0.02641 0.06161 ++ {0.0} {} {5.HG} 1.64156 0.11558 0.26614 ++ {0.0} {} 53735.4335938 3236.2971 0 {} 0 50 {5.HG} 1.65289 0.05511 0.13357 ++ {0.0} {} {5.HD11} 0.94418 0.15465 0.27314 ++ {0.0} {} 121153.117187 2306.3352 0 {} 0 51 {5.HB1} 1.64712 0.05214 0.07813 ++ {0.0} {} {5.HN} 7.55642 0.06490 0.10458 ++ {0.0} {} 4970.66748047 281.6270 0 {} 0 52 {5.HA} 4.11711 0.02268 0.04098 ++ {0.0} {} {5.HN} 7.55273 0.06690 0.15774 ++ {0.0} {} 8476.78125 1114.4331 0 {} 0 53 {7.HN} 7.74743 0.02622 0.05058 ++ {0.0} {} {7.HA} 4.20980 0.05665 0.15110 ++ {0.0} {} 10038.9921875 1125.1906 0 {} 0 54 {7.HN} 7.74363 0.00717 0.01024 ++ {0.0} {} {7.HE1} 2.99049 0.06991 0.02492 ++ {0.0} {} 233.761672974 80.7023 0 {} 0 55 {7.HN} 7.74326 0.02533 0.03923 ++ {0.0} {} {7.HB1} 1.99926 0.10672 0.17563 ++ {0.0} {} 8063.93994141 432.3498 0 {} 0 56 {7.HN} 7.74762 0.02261 0.02923 ++ {0.0} {} {7.HD1} 1.73451 0.08375 0.12150 ++ {0.0} {} 3119.88134766 223.0381 0 {} 0 57 {7.HN} 7.74737 0.02762 0.03104 ++ {0.0} {} {7.HD1} 1.65511 0.09857 0.14081 ++ {0.0} {} 3061.08837891 162.5631 0 {} 0 58 {7.HN} 7.74743 0.02592 0.02716 ++ {0.0} {} {7.HG1} 1.49554 0.08118 0.08681 ++ {0.0} {} 2291.3359375 142.5235 0 {} 0 59 {7.HE1} 2.97506 0.01848 0.02640 ++ {0.0} {} {7.HA} 4.20928 0.06855 0.12271 ++ {0.0} {} 2506.72509766 273.6305 0 {} 0 60 {7.HE2} 3.00416 0.02131 0.03146 ++ {0.0} {} {7.HA} 4.20877 0.06436 0.10836 ++ {0.0} {} 2166.52832031 280.3981 0 {} 0 61 {7.HB1} 1.94654 0.07223 0.09077 ++ {0.0} {} {7.HA} 4.20837 0.07066 0.11001 ++ {0.0} {} 13978.9179687 790.0958 0 {} 0 62 {7.HB1} 2.00158 0.05260 0.08414 ++ {0.0} {} {7.HA} 4.20910 0.06036 0.10943 ++ {0.0} {} 8940.25976562 345.8404 0 {} 0 63 {} 1.73285 0.05260 0.07407 ++ {0.0} {} {} 4.20910 0.06036 0.10943 ++ {0.0} {} 6130.46875 345.8404 0 {} 0 64 {7.HD1} 1.63204 0.05226 0.05870 ++ {0.0} {} {7.HA} 4.21173 0.06294 0.09615 ++ {0.0} {} 2285.07714844 126.7274 0 {} 0 65 {7.HE1} 2.99141 0.04793 0.06711 ++ {0.0} {} {7.HB1} 1.98105 0.17853 0.27071 ++ {0.0} {} 29788.7929687 641.2511 0 {} 0 66 {7.HE2} 2.98977 0.04197 0.09140 ++ {0.0} {} {7.HD2} 1.73162 0.10260 0.13871 ++ {0.0} {} 64665.0390625 2636.2356 0 {} 0 67 {7.HE1} 2.98846 0.04165 0.06292 ++ {0.0} {} {7.HG1} 1.48168 0.05369 0.14081 ++ {0.0} {} 11991.4199219 898.6650 0 {} 0 68 {7.HE1} 2.98611 0.04197 0.06942 ++ {0.0} {} {7.HD1} 1.65702 0.10260 0.16797 ++ {0.0} {} 32249.2714844 2636.2356 0 {} 0 69 {7.HB2} 2.01588 0.03491 0.04987 ++ {0.0} {} {7.HE2} 2.99010 0.06037 0.10634 ++ {0.0} {} 5400.63867187 352.5430 0 {} 0 70 {7.HB1} 1.96002 0.06366 0.09094 ++ {0.0} {} {7.HE1} 2.99276 0.06343 0.12465 ++ {0.0} {} 9194.89941406 406.4013 0 {} 0 71 {7.HB2} 2.01543 0.03491 0.04987 ++ {0.0} {} {7.HD2} 1.73064 0.09000 0.15052 ++ {0.0} {} 10700.7548828 436.0126 0 {} 0 72 {7.HB2} 1.95835 0.06777 0.09681 ++ {0.0} {} {7.HD2} 1.72904 0.08955 0.16155 ++ {0.0} {} 20953.2695312 525.6797 0 {} 0 73 {7.HB2} 2.01863 0.05830 0.07197 ++ {0.0} {} {7.HG2} 1.48355 0.06391 0.08915 ++ {0.0} {} 4470.08105469 219.2323 0 {} 0 74 {7.HB1} 1.96259 0.03080 0.04400 ++ {0.0} {} {7.HG1} 1.48319 0.06933 0.08217 ++ {0.0} {} 2751.15600586 162.8054 0 {} 0 75 {7.HD1} 1.63351 0.06768 0.11441 ++ {0.0} {} {7.HE1} 2.99210 0.05788 0.13285 ++ {0.0} {} 15924.4365234 752.3747 0 {} 0 76 {7.HD1} 1.63642 0.05818 0.08964 ++ {0.0} {} {7.HB1} 1.96938 0.20021 0.26195 ++ {0.0} {} 20467.2441406 325.9038 0 {} 0 77 {7.HD1} 1.63102 0.04732 0.08690 ++ {0.0} {} {7.HG1} 1.48574 0.04518 0.07751 ++ {0.0} {} 7787.81787109 466.2701 0 {} 0 78 {} 1.63907 0.05214 0.07813 ++ {0.0} {} {} 7.73478 0.06490 0.10458 ++ {0.0} {} 1202.74938965 281.6270 -1 {} 0 79 {7.HD1} 1.63002 0.01971 0.05034 ++ {0.0} {} {7.HN} 7.73781 0.05895 0.11891 ++ {0.0} {} 548.470397949 69.7838 0 {} 0 80 {7.HB1} 1.96334 0.05928 0.07314 ++ {0.0} {} {7.HN} 7.74319 0.06525 0.09045 ++ {0.0} {} 3281.07617187 172.9079 0 {} 0 81 {7.HB2} 2.01916 0.03902 0.05574 ++ {0.0} {} {7.HN} 7.74420 0.06252 0.07221 ++ {0.0} {} 2016.80566406 125.5748 0 {} 0 82 {7.HG1} 1.47154 0.03583 0.05119 ++ {0.0} {} {7.HN} 7.73995 0.09164 0.06605 ++ {0.0} {} 1017.0222168 42.4707 0 {} 0 83 {9.HN} 8.43889 0.02815 0.05221 ++ {0.0} {} {9.HA} 3.78039 0.05392 0.12333 ++ {0.0} {} 5057.62011719 922.9385 0 {} 0 84 {9.HN} 8.49463 0.02524 0.03880 ++ {0.0} {} {9.HG11} 1.06638 0.05756 0.09680 ++ {0.0} {} 2924.32080078 371.1889 -1 {} 0 85 {9.HN} 8.44012 0.02363 0.03639 ++ {0.0} {} {9.HD11} 0.84010 0.04975 0.06077 ++ {0.0} {} 1786.06433105 429.8364 0 {} 0 86 {9.HN} 8.44167 0.02731 0.03594 ++ {0.0} {} {9.HB} 1.88462 0.05742 0.07668 ++ {0.0} {} 1944.96325684 319.7211 0 {} 0 87 {9.HB} 1.87689 0.02259 0.06708 ++ {0.0} {} {9.HA} 3.78052 0.04629 0.10552 ++ {0.0} {} 1674.36242676 153.5670 0 {} 0 88 {} 1.10002 0.02842 0.04642 ++ {0.0} {} {} 3.79315 0.05038 0.06723 ++ {0.0} {} 5373.18017578 1053.5979 0 {} 0 89 {9.HD11} 0.81874 0.03010 0.03322 ++ {0.0} {} {9.HA} 3.76832 0.05185 0.07652 ++ {0.0} {} 1258.58190918 1084.2412 0 {} 0 90 {9.HB} 2.11022 0.09046 0.13865 ++ {0.0} {} {9.HD11} 0.92543 0.08824 0.16231 ++ {0.0} {} 58122.9609375 1029.0363 -1 {} 0 91 {9.HB} 2.10862 0.06777 0.09681 ++ {0.0} {} {9.HG11} 1.05895 0.09857 0.14081 ++ {0.0} {} 20900.8652344 419.1700 -1 {} 0 92 {9.HG11} 1.05847 0.02314 0.03897 ++ {0.0} {} {9.HB} 2.10950 0.08959 0.21708 ++ {0.0} {} 15623.9003906 956.1752 -1 {} 0 93 {9.HD11} 0.93052 0.03646 0.07051 ++ {0.0} {} {9.HB} 2.10900 0.10151 0.18501 ++ {0.0} {} 47618.4492187 2223.7090 -1 {} 0 94 {9.HG11} 1.06401 0.03363 0.06305 ++ {0.0} {} {9.HD11} 0.92210 0.04419 0.08707 ++ {0.0} {} 39812.2851562 3577.1282 0 {} 0 95 {9.HD11} 0.91976 0.02961 0.05521 ++ {0.0} {} {9.HG11} 1.05573 0.09857 0.14081 ++ {0.0} {} 66741.6171875 3787.5286 0 {} 0 96 {13.HN} 8.60449 0.03742 0.04753 ++ {0.0} {} {13.HA2} 3.88649 0.10638 0.14383 ++ {0.0} {} 12972.6953125 485.5443 0 {} 0 97 {13.HN} 8.61017 0.03742 0.04795 ++ {0.0} {} {13.HA1} 3.80923 0.10638 0.10844 ++ {0.0} {} 8894.43164062 485.5443 0 {} 0 98 {} 8.46502 0.03742 0.04687 ++ {0.0} {} {} 3.94908 0.10638 0.14000 ++ {0.0} {} -2024.7824707 485.5443 -1 {} 0 99 {} 8.36743 0.03742 0.03794 ++ {0.0} {} {} 3.96506 0.10638 0.09534 ++ {0.0} {} -1239.79431152 485.5443 -1 {} 0 100 {9.HN} 8.43424 0.00678 0.02343 ++ {0.0} {} {9.HG12} 1.24711 0.07646 0.06360 ++ {0.0} {} 104.775001526 28.9920 0 {} 0 101 {9.HB} 1.87911 0.02546 0.03637 ++ {0.0} {} {9.HG12} 1.22723 0.06344 0.05201 ++ {0.0} {} 1728.27478027 175.6021 0 {} 0 102 {9.HB} 1.88696 0.04039 0.07294 ++ {0.0} {} {9.HD11} 0.83324 0.07345 0.16175 ++ {0.0} {} 20922.0605469 1227.8381 0 {} 0 103 {} 1.86159 0.02259 0.06393 ++ {0.0} {} {} 0.59825 0.06612 0.16243 ++ {0.0} {} 7171.39990234 690.2157 -1 {} 0 104 {} 0.87137 0.02937 0.06128 ++ {0.0} {} {} 1.22164 0.06651 0.08355 ++ {0.0} {} 10576.8613281 1328.4652 -1 {} 0 105 {9.HA} 3.79025 0.01848 0.02640 ++ {0.0} {} {9.HN} 8.44322 0.06374 0.13378 ++ {0.0} {} 3212.48120117 655.7600 0 {} 0 106 {9.HG11} 0.85477 0.03537 0.03299 ++ {0.0} {} {9.HN} 8.44269 0.06190 0.08794 ++ {0.0} {} 1324.64001465 218.8450 0 {} 0 107 {9.HG11} 0.87492 0.01828 0.02016 ++ {0.0} {} {9.HN} 8.44050 0.06505 0.07216 ++ {0.0} {} 957.229003906 148.8990 0 {} 0 108 {9.HB} 1.88256 0.04728 0.05326 ++ {0.0} {} {9.HN} 8.43797 0.06573 0.07824 ++ {0.0} {} 2335.58642578 163.8036 0 {} 0 109 {9.HN} 8.43656 0.01989 0.03248 ++ {0.0} {} {9.HG11} 0.88036 0.05468 0.07947 ++ {0.0} {} 1494.28796387 245.6114 0 {} 0 110 {16.HN} 8.49396 0.02815 0.05059 ++ {0.0} {} {16.HA} 3.73659 0.05392 0.12250 ++ {0.0} {} 8474.24804687 922.9380 0 {} 0 111 {1.HT1} 8.49599 0.02731 0.03869 ++ {0.0} {} {1.HB} 2.11658 0.05742 0.08507 ++ {0.0} {} 2879.38818359 319.7211 0 {} 0 112 {1.HT1} 8.49463 0.02435 0.03627 ++ {0.0} {} {1.HG21} 1.06638 0.05756 0.08941 ++ {0.0} {} 2924.32080078 371.1889 0 {} 0 113 {1.HT1} 8.49384 0.02363 0.03610 ++ {0.0} {} {1.HG11} 0.92201 0.04975 0.08032 ++ {0.0} {} 3371.23583984 429.8364 0 {} 0 114 {1.HG21} 1.06398 0.02842 0.03466 ++ {0.0} {} {1.HA} 3.73560 0.05038 0.07052 ++ {0.0} {} 9917.44628906 1053.5979 0 {} 0 115 {1.HA} 3.73284 0.03505 0.04574 ++ {0.0} {} {1.HG21} 1.06884 0.05661 0.08252 ++ {0.0} {} 13515.1347656 1165.8655 0 {} 0 116 {1.HA} 3.73282 0.03616 0.04736 ++ {0.0} {} {1.HG11} 0.92062 0.04674 0.06834 ++ {0.0} {} 13809.9472656 1175.8850 0 {} 0 117 {1.HB} 2.11022 0.07867 0.09983 ++ {0.0} {} {1.HG11} 0.92543 0.12948 0.16333 ++ {0.0} {} 59020.3203125 1029.0363 0 {} 0 118 {1.HB} 2.10862 0.02365 0.03379 ++ {0.0} {} {1.HG21} 1.05895 0.07381 0.03625 ++ {0.0} {} 6012.25439453 419.1700 0 {} 0 119 {1.HG11} 0.92093 0.02842 0.03554 ++ {0.0} {} {1.HA} 3.73644 0.05185 0.07345 ++ {0.0} {} 10316.2773437 1084.2412 0 {} 0 120 {1.HB} 2.11235 0.02122 0.03818 ++ {0.0} {} {1.HT1} 8.49590 0.06190 0.06304 ++ {0.0} {} 1886.98474121 218.8447 0 {} 0 121 {1.HG21} 1.07213 0.01206 0.01722 ++ {0.0} {} {1.HT1} 8.49502 0.05765 0.04161 ++ {0.0} {} 936.878173828 202.6675 0 {} 0 122 {1.HG11} 0.91804 0.02553 0.02672 ++ {0.0} {} {1.HT1} 8.49458 0.05830 0.06258 ++ {0.0} {} 2434.45751953 279.5862 0 {} 0 123 {1.HA} 3.72953 0.01848 0.07749 ++ {0.0} {} {1.HT1} 8.50863 0.06370 0.12022 ++ {0.0} {} 5382.41162109 666.1147 0 {} 0 124 {22.HN} 7.80966 0.02583 0.04676 ++ {0.0} {} {22.HA} 3.90207 0.06322 0.15391 ++ {0.0} {} 22443.2558594 2355.6899 0 {} 0 125 {22.HN} 7.81239 0.02375 0.04104 ++ {0.0} {} {22.HB} 1.85205 0.06498 0.13236 ++ {0.0} {} 2939.73901367 342.0780 0 {} 0 126 {22.HN} 7.80933 0.01848 0.05478 ++ {0.0} {} {22.HG21} 0.81284 0.05292 0.12085 ++ {0.0} {} 2595.89648437 517.7660 0 {} 0 127 {22.HN} 7.80486 0.02259 0.06498 ++ {0.0} {} {22.HG11} 0.59102 0.05651 0.10843 ++ {0.0} {} 6015.52734375 652.9659 0 {} 0 128 {22.HB} 1.83915 0.05559 0.07609 ++ {0.0} {} {22.HA} 3.89690 0.08054 0.12104 ++ {0.0} {} 2020.20727539 150.3098 0 {} 0 129 {8.HD11} 0.82454 0.02469 0.04423 ++ {0.0} {} {8.HA} 3.89213 0.07779 0.16026 ++ {0.0} {} 16148.3056641 1394.6077 0 {} 0 130 {22.HG11} 0.59786 0.02607 0.04217 ++ {0.0} {} {22.HA} 3.89268 0.05509 0.12627 ++ {0.0} {} 11811.078125 1297.4701 0 {} 0 131 {22.HG11} 0.59133 0.02244 0.04515 ++ {0.0} {} {22.HB} 1.84507 0.05942 0.16494 ++ {0.0} {} 12307.0859375 1353.4789 0 {} 0 132 {9.HG11} 0.82225 0.02701 0.05505 ++ {0.0} {} {9.HB} 1.86079 0.07951 0.20943 ++ {0.0} {} 31728.5996094 1672.1100 0 {} 0 133 {} 0.82870 0.02433 0.04970 ++ {0.0} {} {} 0.59823 0.08619 0.17791 ++ {0.0} {} 73670.5390625 5584.0679 -1 {} 0 134 {22.HG11} 0.59764 0.02748 0.05090 ++ {0.0} {} {22.HG21} 0.82641 0.05072 0.15792 ++ {0.0} {} 54836.6328125 5860.2876 0 {} 0 135 {8.HN} 7.71203 0.02603 0.04853 ++ {0.0} {} {8.HA} 3.87506 0.05610 0.13299 ++ {0.0} {} 6086.07763672 681.9620 0 {} 0 136 {8.HN} 7.71613 0.02704 0.03635 ++ {0.0} {} {8.HB} 2.12443 0.06573 0.09816 ++ {0.0} {} 3233.13623047 389.5409 0 {} 0 137 {8.HN} 7.70883 0.02963 0.03698 ++ {0.0} {} {8.HG11} 0.96326 0.06912 0.09033 ++ {0.0} {} 1892.42993164 373.7447 0 {} 0 138 {8.HN} 7.71001 0.02963 0.05086 ++ {0.0} {} {8.HD11} 0.91378 0.06912 0.09973 ++ {0.0} {} 4339.6796875 373.7447 0 {} 0 139 {8.HA} 3.85740 0.01184 0.03770 ++ {0.0} {} {8.HB} 2.11043 0.06098 0.07985 ++ {0.0} {} 1657.58483887 347.6640 0 {} 0 140 {8.HB} 2.10828 0.04926 0.05278 ++ {0.0} {} {8.HA} 3.87477 0.05009 0.05496 ++ {0.0} {} 2323.73388672 146.9131 0 {} 0 141 {8.HA} 3.85969 0.04316 0.06524 ++ {0.0} {} {8.HN} 7.71439 0.13823 0.15510 ++ {0.0} {} 11868.3701172 1525.3165 0 {} 0 142 {8.HB} 2.11615 0.04537 0.06011 ++ {0.0} {} {8.HN} 7.71292 0.05109 0.07078 ++ {0.0} {} 3500.37597656 215.7930 0 {} 0 143 {8.HG11} 0.93723 0.03040 0.04484 ++ {0.0} {} {8.HN} 7.71177 0.05547 0.09020 ++ {0.0} {} 3784.16894531 354.6356 0 {} 0 144 {8.HB} 2.11022 0.09046 0.06900 ++ {0.0} {} {8.HD11} 0.89526 0.08824 0.19379 ++ {0.0} {} 39467.3164063 1029.0363 0 {} 0 145 {8.HB} 2.10372 0.06777 0.13477 ++ {0.0} {} {8.HG11} 0.98353 0.09857 0.15837 ++ {0.0} {} 42375.6640625 419.1700 0 {} 0 146 {8.HG11} 0.87301 0.02931 0.03304 ++ {0.0} {} {8.HB} 2.10636 0.08213 0.09507 ++ {0.0} {} 9105.08300781 593.2453 0 {} 0 147 {8.HG11} 0.93052 0.03646 0.05959 ++ {0.0} {} {8.HB} 2.10900 0.07618 0.16277 ++ {0.0} {} 39448.6171875 2223.7090 0 {} 0 148 {8.HG11} 0.94287 0.02419 0.02361 ++ {0.0} {} {8.HG12} 1.17226 0.04745 0.04604 ++ {0.0} {} 3699.9440918 491.3875 0 {} 0 149 {8.HG11} 0.87137 0.02937 0.05849 ++ {0.0} {} {8.HG12} 1.18054 0.06651 0.12390 ++ {0.0} {} 12593.9511719 1328.4652 0 {} 0 150 {17.HN} 8.28086 0.02494 0.04630 ++ {0.0} {} {17.HA} 4.53429 0.05438 0.11740 ++ {0.0} {} 6205.36523437 749.5350 0 {} 0 151 {19.HN} 8.20805 0.02470 0.04942 ++ {0.0} {} {19.HA} 4.41610 0.05441 0.09283 ++ {0.0} {} 7542.0 930.4400 0 {} 0 152 {11.HN} 8.19936 0.02690 0.04834 ++ {0.0} {} {11.HA} 4.55468 0.08074 0.12578 ++ {0.0} {} 11439.9003906 823.3720 0 {} 0 153 {10.HN} 8.14518 0.02831 0.03359 ++ {0.0} {} {10.HA} 4.42907 0.05534 0.12740 ++ {0.0} {} 6045.85009766 697.4490 0 {} 0 154 {15.HN} 8.10773 0.02787 0.04547 ++ {0.0} {} {15.HA} 4.43430 0.05185 0.12450 ++ {0.0} {} 7175.50976563 775.5020 0 {} 0 155 {20.HN} 8.12086 0.02317 0.04870 ++ {0.0} {} {20.HA} 4.25840 0.06007 0.13593 ++ {0.0} {} 12864.8173828 1628.8691 0 {} 0 156 {2.HN} 7.30963 0.02715 0.03725 ++ {0.0} {} {2.HA} 4.71838 0.05651 0.08632 ++ {0.0} {} 136.052993774 1070.6300 0 {} 0 157 {14.HN} 7.99681 0.02349 0.04623 ++ {0.0} {} {14.HA} 4.58221 0.05073 0.11610 ++ {0.0} {} 7501.93017578 950.2630 0 {} 0 158 {23.HN} 7.85421 0.02856 0.05272 ++ {0.0} {} {23.HA} 4.57536 0.04941 0.13737 ++ {0.0} {} 11372.4003906 1227.4301 0 {} 0 159 {21.HN} 8.06575 0.02856 0.04593 ++ {0.0} {} {21.HA} 4.61035 0.04941 0.12790 ++ {0.0} {} 9514.12988281 1227.4301 0 {} 0 160 {6.HN} 8.07673 0.03253 0.05388 ++ {0.0} {} {6.HA2} 3.78250 0.05253 0.09713 ++ {0.0} {} 3731.7800293 1967.7200 0 {} 0 161 {6.HN} 8.07797 0.03253 0.05388 ++ {0.0} {} {6.HA1} 3.87857 0.05253 0.09713 ++ {0.0} {} 15882.5996094 1967.7200 0 {} 0 162 {18.HN} 8.09418 0.03253 0.05182 ++ {0.0} {} {18.HA2} 3.91342 0.05253 0.09156 ++ {0.0} {} 17535.1992187 1967.7200 0 {} 0 163 {17.HN} 8.27892 0.02432 0.04627 ++ {0.0} {} {17.HB1} 3.31247 0.06011 0.15385 ++ {0.0} {} 7709.97021484 937.2630 0 {} 0 164 {17.HB1} 3.31701 0.03701 0.04660 ++ {0.0} {} {17.HA} 4.54349 0.09857 0.14081 ++ {0.0} {} 0.0 624.7930 0 {} 0 165 {} 3.31933 0.04138 0.04216 ++ {0.0} {} {} 7.31752 0.07523 0.07667 ++ {0.0} {} 0.0 90.2698 -1 {} 0 166 {17.HB2} 3.31652 0.03162 0.07895 ++ {0.0} {} {17.HE2} 8.28140 0.05306 0.13311 ++ {0.0} {} 0.0 480.2940 0 {} 0 167 {} 4.53183 0.00920 0.03132 ++ {0.0} {} {} 8.28012 0.06223 0.07846 ++ {0.0} {} 0.0 54.3693 0 {} 0 168 {19.HN} 8.20644 0.02562 0.03845 ++ {0.0} {} {19.HB2} 3.08475 0.06506 0.12326 ++ {0.0} {} 0.0 696.3830 0 {} 0 169 {19.HN} 8.20632 0.02524 0.03843 ++ {0.0} {} {19.HB1} 2.90360 0.07826 0.13776 ++ {0.0} {} 0.0 744.7130 0 {} 0 170 {19.HB1} 2.89107 0.04812 0.05236 ++ {0.0} {} {19.HA} 4.41988 0.05627 0.12490 ++ {0.0} {} 0.0 391.6600 0 {} 0 171 {19.HB2} 3.07144 0.04319 0.05930 ++ {0.0} {} {19.HA} 4.42961 0.05233 0.13465 ++ {0.0} {} 0.0 542.9060 0 {} 0 172 {19.HB1} 2.88980 0.05435 0.04248 ++ {0.0} {} {19.HN} 8.20849 0.06956 0.10350 ++ {0.0} {} 0.0 376.4800 0 {} 0 173 {19.HB2} 3.07246 0.03627 0.04942 ++ {0.0} {} {19.HN} 8.20727 0.07575 0.13172 ++ {0.0} {} 0.0 390.1640 0 {} 0 174 {19.HB2} 3.05924 0.02325 0.02388 ++ {0.0} {} {19.HB1} 2.90702 0.08555 0.09047 ++ {0.0} {} 0.0 358.3820 0 {} 0 175 {19.HB1} 2.92853 0.01232 0.01759 ++ {0.0} {} {19.HB2} 3.07956 0.05612 0.08018 ++ {0.0} {} 0.0 265.5930 0 {} 0 176 {11.HN} 8.20082 0.02597 0.03975 ++ {0.0} {} {11.HB2} 3.53592 0.06867 0.10027 ++ {0.0} {} 0.0 377.8480 0 {} 0 177 {11.HN} 8.20130 0.02734 0.03687 ++ {0.0} {} {11.HB1} 3.41449 0.07349 0.10108 ++ {0.0} {} 0.0 331.0060 0 {} 0 178 {11.HB1} 3.41096 0.02632 0.03761 ++ {0.0} {} {11.HA} 4.54662 0.07424 0.05488 ++ {0.0} {} 0.0 267.8960 0 {} 0 179 {11.HB2} 3.52578 0.02656 0.03795 ++ {0.0} {} {11.HA} 4.54670 0.07340 0.05340 ++ {0.0} {} 0.0 265.4310 0 {} 0 180 {11.HB2} 3.52141 0.02697 0.03853 ++ {0.0} {} {11.HN} 8.20260 0.06285 0.05769 ++ {0.0} {} 0.0 159.8160 0 {} 0 181 {11.HB1} 3.41352 0.03347 0.03365 ++ {0.0} {} {11.HN} 8.20150 0.06114 0.06170 ++ {0.0} {} 0.0 174.5260 0 {} 0 182 {10.HN} 8.14376 0.02385 0.04002 ++ {0.0} {} {10.HB1} 3.32235 0.06901 0.13589 ++ {0.0} {} 0.0 773.5150 0 {} 0 183 {10.HB1} 3.32545 0.03047 0.04133 ++ {0.0} {} {10.HA} 4.41700 0.05362 0.07773 ++ {0.0} {} 0.0 767.2230 0 {} 0 184 {} 3.32379 0.02704 0.02896 ++ {0.0} {} {} 8.13066 0.10795 0.12172 ++ {0.0} {} 0.0 468.0086 0 {} 0 185 {15.HN} 8.10732 0.02464 0.03212 ++ {0.0} {} {15.HB1} 3.11155 0.06507 0.10565 ++ {0.0} {} 0.0 401.2660 0 {} 0 186 {15.HN} 8.10393 0.02868 0.02764 ++ {0.0} {} {15.HB2} 3.29927 0.05405 0.05148 ++ {0.0} {} 0.0 403.0380 0 {} 0 187 {15.HB2} 3.29280 0.03047 0.05230 ++ {0.0} {} {15.HA} 4.42782 0.05362 0.10607 ++ {0.0} {} 0.0 767.2230 0 {} 0 188 {15.HB1} 3.09949 0.04319 0.05519 ++ {0.0} {} {15.HA} 4.42523 0.05233 0.12202 ++ {0.0} {} 0.0 542.9060 0 {} 0 189 {15.HB1} 3.11205 0.02266 0.03238 ++ {0.0} {} {15.HN} 8.11064 0.08844 0.05373 ++ {0.0} {} 0.0 242.5750 0 {} 0 190 {15.HB2} 3.29591 0.04993 0.05100 ++ {0.0} {} {15.HN} 8.12562 0.06697 0.07113 ++ {0.0} {} 0.0 360.1260 0 {} 0 191 {14.HN} 7.99066 0.02278 0.04464 ++ {0.0} {} {14.HB1} 2.77272 0.14876 0.13623 ++ {0.0} {} 0.0 709.8000 0 {} 0 192 {14.HN} 7.99233 0.02278 0.03380 ++ {0.0} {} {14.HB2} 2.83375 0.14876 0.18775 ++ {0.0} {} 0.0 709.8000 0 {} 0 193 {14.HB1} 2.74012 0.03212 0.04191 ++ {0.0} {} {14.HA} 4.56923 0.05298 0.11311 ++ {0.0} {} 0.0 325.1340 0 {} 0 194 {14.HB1} 2.77398 0.04312 0.04823 ++ {0.0} {} {14.HA} 4.57245 0.05281 0.12501 ++ {0.0} {} 0.0 771.0600 0 {} 0 195 {14.HB2} 2.77437 0.01848 0.04105 ++ {0.0} {} {14.HN} 7.99590 0.05055 0.11254 ++ {0.0} {} 0.0 503.7600 0 {} 0 196 {14.HB1} 2.75259 0.01848 0.03197 ++ {0.0} {} {14.HN} 7.99603 0.05174 0.11421 ++ {0.0} {} 0.0 383.8450 0 {} 0 197 {20.HN} 8.11684 0.03253 0.05850 ++ {0.0} {} {20.HB1} 3.91558 0.05253 0.13999 ++ {0.0} {} 0.0 1967.7200 0 {} 0 198 {20.HB1} 3.90851 0.05550 0.04441 ++ {0.0} {} {20.HA} 4.25573 0.08128 0.09933 ++ {0.0} {} 0.0 1647.2800 0 {} 0 199 {20.HB1} 3.91020 0.02936 0.07839 ++ {0.0} {} {20.HN} 8.12558 0.06860 0.15694 ++ {0.0} {} 0.0 2555.3201 0 {} 0 200 {23.HN} 7.86010 0.02613 0.05297 ++ {0.0} {} {23.HB1} 3.15053 0.06540 0.14491 ++ {0.0} {} 0.0 1264.8600 0 {} 0 201 {23.HN} 7.85816 0.02591 0.05199 ++ {0.0} {} {23.HB1} 2.76357 0.07622 0.15678 ++ {0.0} {} 0.0 1398.8101 0 {} 0 202 {23.HB1} 3.12512 0.02276 0.04510 ++ {0.0} {} {23.HA} 4.58652 0.06462 0.10307 ++ {0.0} {} 0.0 669.1990 0 {} 0 203 {23.HB2} 2.73657 0.03271 0.04148 ++ {0.0} {} {23.HA} 4.58068 0.05281 0.08937 ++ {0.0} {} 0.0 771.0600 0 {} 0 204 {21.HN} 8.06340 0.02929 0.05659 ++ {0.0} {} {21.HB1} 3.33019 0.05841 0.12976 ++ {0.0} {} 0.0 920.3100 0 {} 0 205 {21.HN} 8.05945 0.02971 0.04195 ++ {0.0} {} {21.HB2} 3.19564 0.06041 0.10157 ++ {0.0} {} 0.0 1023.1300 0 {} 0 206 {21.HB2} 3.16495 0.02276 0.02650 ++ {0.0} {} {21.HA} 4.58026 0.06462 0.08847 ++ {0.0} {} 0.0 669.1990 0 {} 0 207 {21.HB1} 3.30139 0.03078 0.04105 ++ {0.0} {} {21.HA} 4.59568 0.11575 0.10333 ++ {0.0} {} 0.0 630.9690 0 {} 0 208 {21.HB2} 3.17247 0.01319 0.01885 ++ {0.0} {} {21.HN} 8.06323 0.07263 0.04866 ++ {0.0} {} 0.0 203.1720 0 {} 0 209 {21.HB1} 3.30121 0.03055 0.05128 ++ {0.0} {} {21.HN} 8.07758 0.07405 0.08150 ++ {0.0} {} 0.0 564.2990 0 {} 0 210 {} 3.05140 0.03373 0.06433 ++ {0.0} {} {} 4.69836 0.05576 0.11347 ++ {0.0} {} 0.0 490.3908 0 {} 0 211 {2.HN} 7.32003 0.02006 0.02319 ++ {0.0} {} {2.HB1} 3.31755 0.07346 0.08868 ++ {0.0} {} 0.0 340.7700 0 {} 0 212 {7.HD2} 1.73742 0.04531 0.08031 ++ {0.0} {} {7.HE2} 2.99168 0.06431 0.13692 ++ {0.0} {} 0.0 1872.9301 0 {} 0 213 {7.HG1} 1.48869 0.05343 0.06334 ++ {0.0} {} {7.HE1} 2.99090 0.05740 0.06979 ++ {0.0} {} 0.0 673.0010 0 {} 0 214 {22.HB} 1.84907 0.02259 0.09040 ++ {0.0} {} {22.HG11} 0.59825 0.06612 0.15417 ++ {0.0} {} 0.0 690.2160 0 {} 0 215 {22.HA} 3.89556 0.03480 0.04419 ++ {0.0} {} {22.HG11} 0.59770 0.05536 0.08073 ++ {0.0} {} 0.0 1521.8400 0 {} 0 216 {} 3.76665 0.02077 0.02278 ++ {0.0} {} {} 2.18461 0.04739 0.05335 ++ {0.0} {} 0.0 943.1137 0 {} 0 217 {5.HA} 4.11928 0.03912 0.05337 ++ {0.0} {} {5.HB1} 1.64616 0.06428 0.11012 ++ {0.0} {} 0.0 764.5580 0 {} 0 218 {5.HA} 4.12121 0.01963 0.06474 ++ {0.0} {} {5.HD11} 0.94813 0.07532 0.14766 ++ {0.0} {} 0.0 266.0150 0 {} 0 219 {7.HA} 4.19454 0.03714 0.03584 ++ {0.0} {} {7.HE1} 2.99090 0.06446 0.06060 ++ {0.0} {} 0.0 203.9620 0 {} 0 220 {7.HA} 4.20517 0.04387 0.05071 ++ {0.0} {} {7.HD2} 1.73733 0.08797 0.11161 ++ {0.0} {} 0.0 291.2140 0 {} 0 221 {7.HA} 4.20974 0.04387 0.05476 ++ {0.0} {} {7.HD1} 1.66205 0.08797 0.12544 ++ {0.0} {} 0.0 291.2140 0 {} 0 222 {7.HA} 4.19954 0.02155 0.03079 ++ {0.0} {} {7.HG1} 1.48531 0.07953 0.03345 ++ {0.0} {} 0.0 109.4960 0 {} 0 223 {15.HA} 4.43050 0.02476 0.03021 ++ {0.0} {} {15.HB2} 3.31920 0.07097 0.09324 ++ {0.0} {} 0.0 201.5990 0 {} 0 224 {15.HA} 4.41408 0.03039 0.03763 ++ {0.0} {} {15.HB1} 3.09142 0.08264 0.10928 ++ {0.0} {} 0.0 192.3100 0 {} 0 225 {19.HA} 4.41062 0.02724 0.02813 ++ {0.0} {} {19.HB1} 2.90422 0.07638 0.08031 ++ {0.0} {} 0.0 145.8500 0 {} 0 226 {21.HB2} 3.19898 0.03491 0.06181 ++ {0.0} {} {21.HA} 4.61269 0.05919 0.12336 ++ {0.0} {} 0.0 473.6120 0 {} 0 227 {} 2.83380 0.03212 0.04594 ++ {0.0} {} {} 4.56969 0.05298 0.10161 ++ {0.0} {} 0.0 325.1338 0 {} 0 228 {} 2.09880 0.01234 0.01762 ++ {0.0} {} {} 3.73256 0.04629 0.06845 ++ {0.0} {} 0.0 153.5670 0 {} 0 229 {16.HB} 2.12709 0.01580 0.02617 ++ {0.0} {} {16.HA} 3.73082 0.04145 0.05982 ++ {0.0} {} 0.0 153.6270 0 {} 0 230 {} 2.19463 0.02747 0.06558 ++ {0.0} {} {} 3.77611 0.06687 0.11976 ++ {0.0} {} 0.0 447.2341 -1 {} 0 231 {22.HB} 1.85265 0.04039 0.13333 ++ {0.0} {} {22.HG21} 0.83324 0.07345 0.15606 ++ {0.0} {} 0.0 1227.8400 0 {} 0 232 {22.HB} 1.83651 0.02259 0.03227 ++ {0.0} {} {22.HG11} 0.59769 0.06600 0.14736 ++ {0.0} {} 0.0 713.7420 -1 {} 0 233 {5.HD11} 0.86467 0.02161 0.06482 ++ {0.0} {} {5.HA} 4.08144 0.06506 0.10214 ++ {0.0} {} 0.0 480.3570 0 {} 0 234 {7.HG1} 1.49035 0.05226 0.07872 ++ {0.0} {} {7.HA} 4.20783 0.06294 0.08191 ++ {0.0} {} 0.0 126.7270 0 {} 0 235 {1.HG21} 1.00337 0.02815 0.06152 ++ {0.0} {} {1.HA} 3.77519 0.13731 0.14650 ++ {0.0} {} 0.0 2820.8101 0 {} 0 236 {9.HG11} 0.86415 0.03044 0.05101 ++ {0.0} {} {9.HA} 3.78532 0.11709 0.16043 ++ {0.0} {} 0.0 1612.2700 0 {} 0 237 {8.HG11} 0.93849 0.02665 0.04822 ++ {0.0} {} {8.HA} 3.87423 0.04896 0.09507 ++ {0.0} {} 0.0 1364.2300 0 {} 0 238 {8.HD11} 0.87279 0.03044 0.04829 ++ {0.0} {} {8.HA} 3.85857 0.11709 0.13043 ++ {0.0} {} 0.0 1612.2700 0 {} 0 239 {8.HN} 7.71373 0.02052 0.02931 ++ {0.0} {} {8.HG12} 1.17301 0.06681 0.05385 ++ {0.0} {} 0.0 47.4641 0 {} 0 240 {7.HG1} 1.48072 0.04317 0.04949 ++ {0.0} {} {7.HB1} 1.98103 0.10520 0.11809 ++ {0.0} {} 0.0 240.8530 0 {} 0 241 {7.HG1} 1.48656 0.05308 0.09021 ++ {0.0} {} {7.HD2} 1.72884 0.10526 0.16483 ++ {0.0} {} 0.0 629.6290 0 {} 0 242 {7.HD2} 1.73464 0.04336 0.07367 ++ {0.0} {} {7.HB2} 1.97925 0.08220 0.16897 ++ {0.0} {} 0.0 736.3070 0 {} 0 243 {7.HD2} 1.73499 0.04708 0.07301 ++ {0.0} {} {7.HG2} 1.48372 0.06537 0.14081 ++ {0.0} {} 0.0 627.5390 0 {} 0 244 {9.HG12} 1.22957 0.06874 0.15075 ++ {0.0} {} {9.HG11} 0.83367 0.11220 0.17533 ++ {0.0} {} 0.0 688.6060 0 {} 0 245 {9.HG12} 1.22513 0.04259 0.08482 ++ {0.0} {} {9.HB} 1.87147 0.12518 0.10158 ++ {0.0} {} 0.0 248.6410 0 {} 0 246 {7.HA} 4.20697 0.02770 0.03822 ++ {0.0} {} {7.HN} 7.74309 0.06257 0.09348 ++ {0.0} {} 0.0 834.2870 0 {} 0 247 {} 3.16410 0.01920 0.02083 ++ {0.0} {} {} 7.85778 0.05336 0.05935 ++ {0.0} {} 0.0 475.5132 -1 {} 0 248 {23.HB1} 3.13016 0.02061 0.02811 ++ {0.0} {} {23.HN} 7.85642 0.05090 0.07044 ++ {0.0} {} 0.0 685.0940 0 {} 0 249 {} 2.78548 0.02122 0.02374 ++ {0.0} {} {} 7.85651 0.05055 0.05873 ++ {0.0} {} 0.0 503.7605 -1 {} 0 250 {23.HB2} 2.76128 0.02259 0.03227 ++ {0.0} {} {23.HN} 7.85655 0.05144 0.06603 ++ {0.0} {} 0.0 589.3860 -1 {} 0 251 {23.HB2} 2.73330 0.01222 0.02716 ++ {0.0} {} {23.HN} 7.85609 0.05174 0.07774 ++ {0.0} {} 0.0 383.8450 0 {} 0 252 {6.HA2} 3.77957 0.02465 0.02841 ++ {0.0} {} {6.HN} 8.07459 0.06064 0.07294 ++ {0.0} {} 0.0 529.6840 0 {} 0 253 {6.HA1} 3.85456 0.02730 0.03412 ++ {0.0} {} {6.HN} 8.07225 0.06257 0.07972 ++ {0.0} {} 0.0 581.5480 0 {} 0 254 {} 4.25615 0.02253 0.03342 ++ {0.0} {} {} 8.11974 0.05882 0.09102 ++ {0.0} {} 0.0 933.1100 -1 {} 0 255 {} 3.88946 0.02551 0.02458 ++ {0.0} {} {} 8.60421 0.06318 0.06076 ++ {0.0} {} 0.0 406.6714 -1 {} 0 256 {13.HA2} 3.81928 0.02595 0.06486 ++ {0.0} {} {13.HN} 8.63022 0.09231 0.14948 ++ {0.0} {} 0.0 892.0560 0 {} 0 257 {} 2.82893 0.01087 0.02750 ++ {0.0} {} {} 7.99439 0.05119 0.06969 ++ {0.0} {} 0.0 259.5000 0 {} 0 258 {7.HD2} 1.73441 0.04256 0.05223 ++ {0.0} {} {7.HN} 7.74439 0.06053 0.08009 ++ {0.0} {} 0.0 130.8370 0 {} 0 259 {22.HB} 1.82993 0.03119 0.04573 ++ {0.0} {} {22.HN} 7.80725 0.04538 0.10058 ++ {0.0} {} 0.0 159.4940 0 {} 0 260 {} 1.86407 0.02737 0.03814 ++ {0.0} {} {} 7.80761 0.04598 0.06745 ++ {0.0} {} 0.0 166.1057 -1 {} 0 261 {} 0.82532 0.01848 0.02640 ++ {0.0} {} {} 7.81097 0.05319 0.10556 ++ {0.0} {} 0.0 433.2507 -1 {} 0 262 {22.HG11} 0.59746 0.02559 0.04433 ++ {0.0} {} {22.HN} 7.80612 0.05063 0.10988 ++ {0.0} {} 0.0 733.8990 0 {} 0 263 {} 0.83379 0.01848 0.02640 ++ {0.0} {} {} 7.80523 0.05268 0.10476 ++ {0.0} {} 0.0 458.0439 -1 {} 0 264 {} 3.31933 0.02282 0.03260 ++ {0.0} {} {} 7.31752 0.07523 0.05822 ++ {0.0} {} 0.0 90.2698 0 {} 0 265 {11.HD2} 7.14570 0.00618 0.02059 ++ {0.0} {} {11.HB2} 3.53602 0.06985 0.07685 ++ {0.0} {} 0.0 91.1701 0 {} 0 266 {11.HE2} 8.49245 0.01496 0.02800 ++ {0.0} {} {11.HD2} 7.14217 0.04668 0.08593 ++ {0.0} {} 0.0 1086.5000 0 {} 0 267 {21.HD2} 7.21346 0.01906 0.01911 ++ {0.0} {} {21.HB1} 3.20406 0.08692 0.08727 ++ {0.0} {} 0.0 111.1226 0 {} 0 268 {10.HD2} 7.21450 0.01733 0.01883 ++ {0.0} {} {10.HB2} 3.31343 0.06183 0.06918 ++ {0.0} {} 0.0 125.6130 0 {} 0 269 {14.HD22} 7.45374 0.02509 0.04247 ++ {0.0} {} {14.HD21} 6.73394 0.05272 0.09114 ++ {0.0} {} 0.0 1245.5200 0 {} 0 270 {3.HE21} 7.33987 0.01956 0.03757 ++ {0.0} {} {3.HE22} 6.78973 0.05820 0.12797 ++ {0.0} {} 0.0 1598.9900 0 {} 0 271 {3.HE22} 6.78682 0.02199 0.03977 ++ {0.0} {} {3.HE21} 7.34267 0.05143 0.09202 ++ {0.0} {} 0.0 1602.1300 0 {} 0 272 {14.HD21} 6.73121 0.02357 0.04380 ++ {0.0} {} {14.HD22} 7.45506 0.07194 0.15747 ++ {0.0} {} 0.0 1555.3800 0 {} 0 273 {11.HD2} 7.14718 0.01540 0.02465 ++ {0.0} {} {11.HE2} 8.49218 0.05900 0.10982 ++ {0.0} {} 0.0 1074.7700 0 {} 0 274 {21.HE1} 8.53670 0.01490 0.01715 ++ {0.0} {} {21.HD1} 7.22363 0.07148 0.08749 ++ {0.0} {} 0.0 1660.3239 0 {} 0 275 {} 8.52710 0.01555 0.02170 ++ {0.0} {} {} 7.32251 0.07990 0.12529 ++ {0.0} {} 0.0 2531.4670 0 {} 0 276 {21.HD1} 7.21757 0.01396 0.01293 ++ {0.0} {} {21.HE1} 8.53930 0.06269 0.05719 ++ {0.0} {} 0.0 1480.8322 0 {} 0 277 {} 7.32253 0.02807 0.03273 ++ {0.0} {} {} 3.28748 0.07590 0.09796 ++ {0.0} {} 0.0 99.3268 0 {} 0 278 {17.HD2} 7.32322 0.02159 0.03983 ++ {0.0} {} {17.HE2} 8.53212 0.10993 0.17397 ++ {0.0} {} 0.0 1689.6779 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 . . 6009.615 ppm . . . 2776.52 . . 30396 3 2 . . H 1 H . . 6009.594 ppm . . . 2776.52 . . 30396 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 30396 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 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 1Hx 1Hy noesy514.nv 6009.61523437 6009.61523437 500.132995605 500.132995605 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 0 {3.HN} 8.74107 0.02114 0.02989 ++ {0.0} {} {4.HN} 7.46350 0.03126 0.05536 ++ {0.0} {} 725.260437012 100.7250 0 {} 0 1 {13.HN} 8.61091 0.03079 0.04483 ++ {0.0} {} {14.HN} 7.99819 0.02657 0.05757 ++ {0.0} {} 1010.73144531 114.7380 0 {} 0 2 {12.HN} 8.65345 0.02692 0.04021 ++ {0.0} {} {11.HN} 8.19910 0.04407 0.06745 ++ {0.0} {} 1671.19152832 120.1420 0 {} 0 3 {12.HN} 8.69177 0.05482 0.05413 ++ {0.0} {} {11.HE2} 8.52577 0.03592 0.03446 ++ {0.0} {} 2259.63476562 54.1149 0 {} 0 4 {9.HN} 8.43910 0.02490 0.04833 ++ {0.0} {} {8.HN} 7.72024 0.02968 0.08450 ++ {0.0} {} 1513.61816406 178.1360 0 {} 0 5 {16.HN} 8.50124 0.02198 0.03152 ++ {0.0} {} {15.HN} 8.10676 0.03339 0.06573 ++ {0.0} {} 1123.57507324 187.1580 0 {} 0 6 {9.HN} 8.43971 0.02642 0.03695 ++ {0.0} {} {10.HN} 8.14602 0.03263 0.05831 ++ {0.0} {} 950.266479492 106.0560 0 {} 0 7 {17.HN} 8.28248 0.02451 0.03904 ++ {0.0} {} {18.HN} 8.10518 0.04139 0.06428 ++ {0.0} {} 892.820922852 147.7840 0 {} 0 8 {6.HN} 8.07617 0.02325 0.04483 ++ {0.0} {} {5.HN} 7.55274 0.02755 0.06717 ++ {0.0} {} 1085.09411621 141.3690 0 {} 0 9 {6.HN} 8.07602 0.01948 0.03663 ++ {0.0} {} {7.HN} 7.74160 0.02662 0.06215 ++ {0.0} {} 716.290710449 128.4450 0 {} 0 10 {21.HN} 8.05817 0.02497 0.03456 ++ {0.0} {} {22.HN} 7.80847 0.02680 0.05167 ++ {0.0} {} 534.715515137 101.3220 0 {} 0 11 {17.HN} 8.28101 0.02561 0.04016 ++ {0.0} {} {16.HN} 8.50265 0.06019 0.09227 ++ {0.0} {} 2958.93920898 182.1330 0 {} 0 12 {11.HN} 8.19944 0.02770 0.04390 ++ {0.0} {} {12.HN} 8.65844 0.03324 0.08784 ++ {0.0} {} 1597.61547852 159.9840 0 {} 0 13 {15.HN} 8.10536 0.01914 0.04144 ++ {0.0} {} {16.HN} 8.50454 0.05325 0.08068 ++ {0.0} {} 3489.30371094 226.4310 0 {} 0 14 {14.HN} 7.99487 0.02308 0.03541 ++ {0.0} {} {13.HN} 8.62240 0.06382 0.08321 ++ {0.0} {} 2170.12646484 142.2310 0 {} 0 15 {8.HN} 7.71344 0.02707 0.05231 ++ {0.0} {} {9.HN} 8.44437 0.02790 0.06717 ++ {0.0} {} 1430.1036377 165.0100 0 {} 0 16 {7.HN} 7.74187 0.02782 0.04333 ++ {0.0} {} {6.HN} 8.08318 0.05430 0.08817 ++ {0.0} {} 3339.55322266 184.1570 0 {} 0 17 {5.HN} 7.55184 0.02172 0.03770 ++ {0.0} {} {6.HN} 8.08307 0.04681 0.07887 ++ {0.0} {} 2505.13256836 192.2540 0 {} 0 18 {22.HN} 7.80517 0.02388 0.03363 ++ {0.0} {} {21.HN} 8.06082 0.03749 0.05315 ++ {0.0} {} 1446.25390625 78.6731 0 {} 0 19 {4.HN} 7.46383 0.02202 0.02429 ++ {0.0} {} {3.HN} 8.74525 0.02801 0.04134 ++ {0.0} {} 353.647796631 72.8648 0 {} 0 20 {} 7.20881 0.01701 0.02522 ++ {0.0} {} {} 8.51636 0.04297 0.04503 ++ {0.0} {} 538.549194336 47.6595 -1 {} 0 21 {} 7.14805 0.01946 0.02073 ++ {0.0} {} {} 8.20338 0.02919 0.03206 ++ {0.0} {} 269.156829834 62.4626 0 {} 0 22 {} 7.22210 0.04403 0.04110 ++ {0.0} {} {} 8.10497 0.05564 0.06274 ++ {0.0} {} 1602.64257812 82.0789 0 {} 0 23 {} 7.17721 0.01891 0.03363 ++ {0.0} {} {} 7.85945 0.02622 0.06569 ++ {0.0} {} 705.133850098 110.1607 0 {} 0 24 {} 7.85675 0.02634 0.03643 ++ {0.0} {} {} 7.17470 0.02929 0.05831 ++ {0.0} {} 1086.9083252 91.3103 0 {} 0 25 {} 8.20585 0.02995 0.03269 ++ {0.0} {} {} 7.15892 0.04073 0.05167 ++ {0.0} {} 1019.2008667 60.0077 0 {} 0 26 {21.HE1} 8.50325 0.02901 0.02709 ++ {0.0} {} {21.HD1} 7.22262 0.03384 0.03469 ++ {0.0} {} 283.724029541 44.4996 0 {} 0 27 {} 8.52122 0.01391 0.02055 ++ {0.0} {} {} 7.32098 0.02085 0.04355 ++ {0.0} {} 344.557861328 66.8960 0 {} 0 28 {} 8.10580 0.04269 0.05231 ++ {0.0} {} {} 7.21956 0.07587 0.07234 ++ {0.0} {} 3433.60473633 100.5714 0 {} 0 29 {10.HN} 8.14383 0.02744 0.04577 ++ {0.0} {} {9.HN} 8.44301 0.03344 0.07603 ++ {0.0} {} 1710.1159668 168.1140 0 {} 0 30 {19.HN} 8.20859 0.03297 0.04297 ++ {0.0} {} {20.HN} 8.11538 0.02312 0.06274 ++ {0.0} {} 734.510131836 217.5720 0 {} 0 31 {} 7.99372 0.02108 0.04110 ++ {0.0} {} {} 8.10605 0.04928 0.08046 ++ {0.0} {} 4623.90771484 273.4829 0 {} 0 32 {} 7.46378 0.02502 0.04297 ++ {0.0} {} {} 7.54756 0.04928 0.08120 ++ {0.0} {} 11905.0771484 240.2064 0 {} 0 33 {} 7.55127 0.02168 0.03456 ++ {0.0} {} {} 7.46560 0.02903 0.05905 ++ {0.0} {} -138.208587646 156.8511 0 {} 0 34 {22.HN} 7.80111 0.03203 0.05348 ++ {0.0} {} {23.HN} 7.86855 0.02890 0.05727 ++ {0.0} {} 3227.05883789 2585.8999 0 {} 0 35 {18.HN} 8.12026 0.04793 0.05486 ++ {0.0} {} {19.HN} 8.19632 0.04928 0.07041 ++ {0.0} {} 30873.21875 418.8770 0 {} 0 36 {18.HN} 8.10320 0.01431 0.03551 ++ {0.0} {} {17.HN} 8.27915 0.04928 0.07217 ++ {0.0} {} 4836.11328125 223.2170 0 {} 0 37 {} 7.30453 0.03790 0.03678 ++ {0.0} {} {} 7.41056 0.04230 0.07217 ++ {0.0} {} 52410.1367188 8387.4512 0 {} 0 38 {} 7.39700 0.02339 0.03995 ++ {0.0} {} {} 7.30701 0.04928 0.08720 ++ {0.0} {} 17111.3945312 2210.2407 0 {} 0 39 {} 7.34136 0.02377 0.03932 ++ {0.0} {} {} 7.21550 0.04928 0.08570 ++ {0.0} {} 17233.2285156 2060.2751 0 {} 0 40 {19.HE2} 7.26240 0.03268 0.04249 ++ {0.0} {} {19.HD2} 7.16816 0.03952 0.07267 ++ {0.0} {} -20729.0566406 20423.1641 0 {} 0 41 {} 7.21365 0.01611 0.03868 ++ {0.0} {} {} 7.34784 0.02338 0.08519 ++ {0.0} {} 22274.7558594 2519.5662 0 {} 0 42 {19.HD2} 7.17218 0.01546 0.02509 ++ {0.0} {} {19.HE2} 7.25893 0.03798 0.08135 ++ {0.0} {} 36154.359375 2794.5813 0 {} 0 43 {} 7.26397 0.02792 0.03650 ++ {0.0} {} {} 7.34594 0.02251 0.07833 ++ {0.0} {} 23779.6816406 1607.1874 0 {} 0 44 {3.HN} 8.74010 0.02207 0.04078 ++ {0.0} {} {2.HA} 4.70315 0.04003 0.07849 ++ {0.0} {} 2770.59423828 227.7490 0 {} 0 45 {12.HN} 8.65432 0.02888 0.03794 ++ {0.0} {} {11.HA} 4.54945 0.03172 0.04447 ++ {0.0} {} 671.117553711 73.8769 0 {} 0 46 {} 8.51798 0.00505 0.00721 ++ {0.0} {} {} 4.56813 0.03385 0.01522 ++ {0.0} {} 66.0008239746 28.4923 0 {} 0 47 {13.HN} 8.60915 0.03288 0.03332 ++ {0.0} {} {10.HA} 4.42107 0.03512 0.03599 ++ {0.0} {} 539.732849121 45.2977 0 {} 0 48 {3.HN} 8.73983 0.02137 0.03441 ++ {0.0} {} {3.HA} 4.16989 0.02981 0.05668 ++ {0.0} {} 810.691589355 139.7760 0 {} 0 49 {10.HN} 8.14099 0.01207 0.04843 ++ {0.0} {} {10.HA} 4.42498 0.03633 0.09379 ++ {0.0} {} 1497.84997559 28.8652 0 {} 0 50 {17.HN} 8.28165 0.02595 0.04407 ++ {0.0} {} {17.HA} 4.53467 0.06396 0.09267 ++ {0.0} {} 4191.23046875 216.7500 0 {} 0 51 {11.HN} 8.19939 0.02810 0.04438 ++ {0.0} {} {11.HA} 4.54918 0.03082 0.06762 ++ {0.0} {} 1520.98937988 165.7370 0 {} 0 52 {16.HN} 8.50088 0.02942 0.04137 ++ {0.0} {} {15.HA} 4.42734 0.03223 0.04588 ++ {0.0} {} 557.742126465 76.6457 0 {} 0 53 {17.HN} 8.27923 0.00823 0.01176 ++ {0.0} {} {15.HA} 4.42296 0.02875 0.01232 ++ {0.0} {} 80.4820098877 28.1143 0 {} 0 54 {19.HN} 8.20801 0.02836 0.05611 ++ {0.0} {} {19.HA} 4.42052 0.04661 0.08621 ++ {0.0} {} 5182.17480469 309.9300 0 {} 0 55 {10.HN} 8.14659 0.01772 0.01963 ++ {0.0} {} {7.HA} 4.20943 0.04837 0.05603 ++ {0.0} {} 638.453796387 57.5941 0 {} 0 56 {} 8.13538 0.00433 0.00204 ++ {0.0} {} {} 4.15065 0.02918 0.01376 ++ {0.0} {} -49.7468528748 -28.9050 -1 {} 0 57 {} 8.19633 0.00501 0.00092 ++ {0.0} {} {} 4.13680 0.02107 0.03011 ++ {0.0} {} -34.3940200806 -24.3191 -1 {} 0 58 {} 8.13986 0.00546 0.00158 ++ {0.0} {} {} 4.14175 0.06084 0.04919 ++ {0.0} {} -72.1795959473 -25.8362 -1 {} 0 59 {9.HN} 8.44040 0.00714 0.01021 ++ {0.0} {} {5.HA} 4.11469 0.04284 0.01822 ++ {0.0} {} 119.125396729 28.0535 0 {} 0 60 {} 8.19621 0.00446 0.00051 ++ {0.0} {} {} 4.09524 0.01507 0.02153 ++ {0.0} {} -23.4394283295 -23.4394 -1 {} 0 61 {} 8.19619 0.00447 0.00106 ++ {0.0} {} {} 4.04013 0.02138 0.03054 ++ {0.0} {} -33.6591033936 -25.0588 -1 {} 0 62 {} 8.13536 0.00392 0.00147 ++ {0.0} {} {} 4.02480 0.02727 0.03895 ++ {0.0} {} -18.5227737427 -27.1880 -1 {} 0 63 {21.HN} 8.05717 0.02827 0.04147 ++ {0.0} {} {21.HA} 4.60600 0.04200 0.08284 ++ {0.0} {} 2204.52685547 136.9820 0 {} 0 64 {22.HN} 7.80846 0.02644 0.03483 ++ {0.0} {} {21.HA} 4.60715 0.04956 0.06970 ++ {0.0} {} 1477.7442627 85.3997 0 {} 0 65 {15.HN} 8.10524 0.03037 0.06345 ++ {0.0} {} {14.HA} 4.55705 0.06647 0.12877 ++ {0.0} {} 4468.54101562 175.7220 0 {} 0 66 {14.HN} 7.99383 0.02272 0.04053 ++ {0.0} {} {14.HA} 4.56818 0.03442 0.08124 ++ {0.0} {} 2065.67675781 260.2380 0 {} 0 67 {23.HN} 7.85196 0.02497 0.03374 ++ {0.0} {} {23.HA} 4.57059 0.03149 0.05647 ++ {0.0} {} 859.957824707 111.2010 0 {} 0 68 {15.HN} 8.11428 0.03900 0.06233 ++ {0.0} {} {15.HA} 4.42490 0.03681 0.08288 ++ {0.0} {} 6677.37158203 304.6380 0 {} 0 69 {14.HN} 7.99614 0.01964 0.01767 ++ {0.0} {} {10.HA} 4.41800 0.03693 0.03155 ++ {0.0} {} 328.621765137 38.5579 0 {} 0 70 {22.HN} 7.81057 0.00370 0.02124 ++ {0.0} {} {19.HA} 4.42292 0.02705 0.01761 ++ {0.0} {} 22.8858356476 23.5886 0 {} 0 71 {20.HN} 8.12312 0.02354 0.03898 ++ {0.0} {} {20.HA} 4.25586 0.04147 0.08073 ++ {0.0} {} 2853.88085937 226.5570 0 {} 0 72 {21.HN} 8.06041 0.02649 0.03835 ++ {0.0} {} {20.HA} 4.25582 0.03886 0.07367 ++ {0.0} {} 1600.84387207 121.7040 0 {} 0 73 {6.HN} 8.07730 0.00819 0.02694 ++ {0.0} {} {3.HA} 4.18148 0.01961 0.04078 ++ {0.0} {} 75.5058746338 27.1332 0 {} 0 74 {6.HN} 8.07749 0.02314 0.03059 ++ {0.0} {} {5.HA} 4.11801 0.03778 0.05003 ++ {0.0} {} 826.661132812 63.0196 0 {} 0 75 {4.HN} 7.46343 0.00559 0.00799 ++ {0.0} {} {2.HA} 4.70153 0.01187 0.01695 ++ {0.0} {} 72.9163665771 25.0020 0 {} 0 76 {7.HN} 7.74289 0.02525 0.02814 ++ {0.0} {} {4.HA} 4.56730 0.02759 0.03058 ++ {0.0} {} 406.167266846 49.5447 0 {} 0 77 {5.HN} 7.55210 0.02140 0.03500 ++ {0.0} {} {4.HA} 4.56805 0.03053 0.05983 ++ {0.0} {} 904.226318359 146.2860 0 {} 0 78 {4.HN} 7.46289 0.02570 0.04094 ++ {0.0} {} {4.HA} 4.56720 0.03310 0.07405 ++ {0.0} {} 1802.60339355 199.2710 0 {} 0 79 {7.HN} 7.74614 0.02705 0.05971 ++ {0.0} {} {7.HA} 4.20871 0.04267 0.08820 ++ {0.0} {} 3141.73217773 200.5590 0 {} 0 80 {4.HN} 7.46442 0.02244 0.03775 ++ {0.0} {} {3.HA} 4.16951 0.03054 0.07196 ++ {0.0} {} 1224.54052734 179.5570 0 {} 0 81 {8.HN} 7.71536 0.03078 0.04028 ++ {0.0} {} {5.HA} 4.11548 0.04573 0.06306 ++ {0.0} {} 1270.07873535 71.4002 0 {} 0 82 {5.HN} 7.55233 0.02195 0.03965 ++ {0.0} {} {5.HA} 4.11660 0.04153 0.08225 ++ {0.0} {} 3029.56518555 241.3090 0 {} 0 83 {2.HN} 7.31346 0.02220 0.03069 ++ {0.0} {} {2.HA} 4.70637 0.03778 0.05358 ++ {0.0} {} 965.276794434 70.6534 0 {} 0 84 {17.HD2} 7.32093 0.01621 0.02503 ++ {0.0} {} {17.HA} 4.53759 0.05282 0.07796 ++ {0.0} {} 1143.23449707 107.9385 0 {} 0 85 {17.HD2} 7.31624 0.01533 0.01972 ++ {0.0} {} {15.HA} 4.42035 0.04889 0.06383 ++ {0.0} {} 701.805725098 74.4112 0 {} 0 86 {13.HN} 8.61023 0.03055 0.05441 ++ {0.0} {} {13.HA2} 3.89777 0.08652 0.11734 ++ {0.0} {} 7517.59814453 261.8350 0 {} 0 87 {} 8.52050 0.01570 0.02243 ++ {0.0} {} {} 3.89456 0.03282 0.02482 ++ {0.0} {} 212.364837646 35.5200 0 {} 0 88 {12.HN} 8.65299 0.04081 0.06011 ++ {0.0} {} {12.HA} 3.83080 0.07692 0.11038 ++ {0.0} {} 6136.40722656 192.5000 0 {} 0 89 {13.HN} 8.61051 0.02776 0.05161 ++ {0.0} {} {13.HA1} 3.81336 0.08040 0.11734 ++ {0.0} {} 7256.52734375 288.7660 0 {} 0 90 {16.HN} 8.50984 0.03414 0.03621 ++ {0.0} {} {13.HA1} 3.81514 0.04928 0.07041 ++ {0.0} {} 1197.25817871 48.6345 0 {} 0 91 {17.HN} 8.28234 0.03096 0.04140 ++ {0.0} {} {13.HA2} 3.90415 0.05688 0.08089 ++ {0.0} {} 1487.0012207 72.6062 0 {} 0 92 {19.HN} 8.20932 0.02288 0.05422 ++ {0.0} {} {18.HA2} 3.90600 0.05839 0.12401 ++ {0.0} {} 4776.16552734 291.5460 0 {} 0 93 {9.HN} 8.44061 0.02416 0.03509 ++ {0.0} {} {8.HA} 3.86699 0.03028 0.04435 ++ {0.0} {} 607.88659668 82.5791 0 {} 0 94 {17.HN} 8.28067 0.01617 0.02310 ++ {0.0} {} {13.HA1} 3.81168 0.04928 0.07041 ++ {0.0} {} 488.855621338 39.6614 0 {} 0 95 {9.HN} 8.43958 0.02596 0.04616 ++ {0.0} {} {9.HA} 3.78014 0.03343 0.09008 ++ {0.0} {} 1782.54492187 208.6070 0 {} 0 96 {} 8.20007 0.00493 0.00162 ++ {0.0} {} {} 3.79083 0.02339 0.03342 ++ {0.0} {} 47.8325004578 26.4230 -1 {} 0 97 {} 8.19131 0.00300 0.00428 ++ {0.0} {} {} 3.79365 0.00629 0.00899 ++ {0.0} {} 20.0519943237 24.0510 -1 {} 0 98 {10.HN} 8.14543 0.02618 0.04520 ++ {0.0} {} {9.HA} 3.78067 0.06852 0.09052 ++ {0.0} {} 2105.07983398 114.1670 0 {} 0 99 {16.HN} 8.50010 0.03207 0.04956 ++ {0.0} {} {16.HA} 3.73386 0.06608 0.09022 ++ {0.0} {} 3433.24267578 160.2520 0 {} 0 100 {17.HN} 8.28100 0.02653 0.03976 ++ {0.0} {} {16.HA} 3.73322 0.06576 0.08696 ++ {0.0} {} 2429.13476562 138.1060 0 {} 0 101 {19.HN} 8.21005 0.00764 0.01092 ++ {0.0} {} {16.HA} 3.73750 0.02940 0.04200 ++ {0.0} {} 110.579902649 38.3193 0 {} 0 102 {19.HN} 8.20178 0.00281 0.00402 ++ {0.0} {} {16.HA} 3.74004 0.01842 0.02631 ++ {0.0} {} 27.5251407623 27.5251 0 {} 0 103 {18.HN} 8.10524 0.04558 0.06606 ++ {0.0} {} {18.HA2} 3.90740 0.06147 0.07301 ++ {0.0} {} 19267.25 643.1650 0 {} 0 104 {14.HN} 7.99536 0.02174 0.03438 ++ {0.0} {} {13.HA2} 3.89683 0.05162 0.09117 ++ {0.0} {} 2080.92651367 121.2580 0 {} 0 105 {23.HN} 7.85703 0.03087 0.04045 ++ {0.0} {} {22.HA} 3.89399 0.02791 0.04345 ++ {0.0} {} 1025.29772949 99.6950 0 {} 0 106 {22.HN} 7.80525 0.02641 0.04054 ++ {0.0} {} {22.HA} 3.89594 0.03390 0.07081 ++ {0.0} {} 1246.4666748 138.8130 0 {} 0 107 {14.HN} 7.99634 0.02651 0.04199 ++ {0.0} {} {13.HA1} 3.81285 0.05416 0.08828 ++ {0.0} {} 2235.06567383 123.1150 0 {} 0 108 {6.HN} 8.07788 0.03036 0.05492 ++ {0.0} {} {6.HA2} 3.77005 0.04890 0.09273 ++ {0.0} {} 4660.03710937 229.6640 0 {} 0 109 {8.HN} 7.71285 0.02654 0.04377 ++ {0.0} {} {8.HA} 3.87148 0.03266 0.07568 ++ {0.0} {} 1619.6081543 163.3890 0 {} 0 110 {5.HN} 7.55140 0.00965 0.01378 ++ {0.0} {} {8.HA} 3.87978 0.02689 0.03841 ++ {0.0} {} 140.21194458 32.1050 0 {} 0 111 {7.HN} 7.74264 0.02259 0.03227 ++ {0.0} {} {6.HA1} 3.86720 0.03501 0.07958 ++ {0.0} {} 1446.50317383 114.3980 0 {} 0 112 {7.HN} 7.71257 0.01208 0.01726 ++ {0.0} {} {6.HA2} 3.78174 0.03057 0.01288 ++ {0.0} {} 132.029983521 27.9803 -1 {} 0 113 {5.HN} 7.54922 0.00920 0.01314 ++ {0.0} {} {6.HA2} 3.77861 0.02722 0.00456 ++ {0.0} {} 116.382492065 24.1062 0 {} 0 114 {7.HN} 7.74288 0.02636 0.04279 ++ {0.0} {} {6.HA2} 3.77393 0.04869 0.07190 ++ {0.0} {} 1334.82263184 72.0981 0 {} 0 115 {17.HD2} 7.32082 0.01838 0.02074 ++ {0.0} {} {18.HA2} 3.90194 0.05744 0.06321 ++ {0.0} {} 781.152038574 53.2933 0 {} 0 116 {17.HD2} 7.31771 0.01139 0.01627 ++ {0.0} {} {16.HA} 3.78560 0.04303 0.03286 ++ {0.0} {} 265.468566895 35.7278 0 {} 0 117 {12.HN} 8.65461 0.02669 0.03970 ++ {0.0} {} {11.HB2} 3.53034 0.05390 0.07770 ++ {0.0} {} 1755.81750488 96.3086 0 {} 0 118 {12.HN} 8.65538 0.02404 0.02915 ++ {0.0} {} {11.HB1} 3.40271 0.04240 0.05329 ++ {0.0} {} 961.017333984 58.0076 0 {} 0 119 {11.HN} 8.19966 0.02449 0.04015 ++ {0.0} {} {11.HB2} 3.53014 0.05726 0.09216 ++ {0.0} {} 2771.75048828 169.4360 0 {} 0 120 {11.HN} 8.19923 0.02762 0.04357 ++ {0.0} {} {11.HB1} 3.40218 0.04115 0.08390 ++ {0.0} {} 3036.44897461 180.1610 0 {} 0 121 {9.HN} 8.44146 0.00452 0.01691 ++ {0.0} {} {10.HB1} 3.32015 0.04443 0.03155 ++ {0.0} {} 84.081817627 23.2414 0 {} 0 122 {17.HN} 8.28183 0.02539 0.04652 ++ {0.0} {} {17.HB1} 3.31242 0.04292 0.11974 ++ {0.0} {} 5821.91357422 372.8560 0 {} 0 123 {11.HN} 8.19968 0.03030 0.05086 ++ {0.0} {} {10.HB2} 3.32109 0.03945 0.08300 ++ {0.0} {} 2884.88720703 176.1820 0 {} 0 124 {10.HN} 8.14537 0.03094 0.05574 ++ {0.0} {} {10.HB2} 3.32059 0.03958 0.09374 ++ {0.0} {} 7746.62109375 478.0520 0 {} 0 125 {16.HN} 8.51446 0.03101 0.04629 ++ {0.0} {} {15.HB2} 3.31923 0.04258 0.08191 ++ {0.0} {} 2292.10693359 129.4730 0 {} 0 126 {21.HN} 8.06050 0.02948 0.03328 ++ {0.0} {} {21.HB1} 3.30654 0.03708 0.04817 ++ {0.0} {} 976.934570312 62.1013 0 {} 0 127 {14.HN} 7.99360 0.00085 0.00122 ++ {0.0} {} {15.HB2} 3.31319 0.03800 0.00231 ++ {0.0} {} 22.778629303 22.7786 0 {} 0 128 {15.HN} 8.10547 0.03203 0.05574 ++ {0.0} {} {15.HB2} 3.30332 0.04101 0.09264 ++ {0.0} {} 6012.83544922 307.2690 0 {} 0 129 {22.HN} 7.81144 0.01300 0.01857 ++ {0.0} {} {21.HB1} 3.30240 0.03094 0.01896 ++ {0.0} {} 185.476989746 31.8426 0 {} 0 130 {2.HD2} 7.31797 0.01718 0.03289 ++ {0.0} {} {2.HB1} 3.31701 0.05124 0.09784 ++ {0.0} {} 2855.09741211 255.9410 0 {} 0 131 {} 7.29277 0.00393 0.00561 ++ {0.0} {} {} 3.31735 0.04263 0.00505 ++ {0.0} {} -23.4780235291 -23.4780 -1 {} 0 132 {3.HN} 8.73784 0.02799 0.02902 ++ {0.0} {} {4.HB1} 3.06379 0.04012 0.04256 ++ {0.0} {} 616.593994141 47.0366 0 {} 0 133 {19.HN} 8.20522 0.00385 0.00034 ++ {0.0} {} {21.HB2} 3.19693 0.00935 0.01336 ++ {0.0} {} -23.1052207947 -23.1052 -1 {} 0 134 {19.HN} 8.20509 0.00361 0.00009 ++ {0.0} {} {23.HB1} 3.16301 0.03171 0.00077 ++ {0.0} {} -21.0055408478 -22.3578 -1 {} 0 135 {16.HN} 8.50104 0.02877 0.03494 ++ {0.0} {} {15.HB1} 3.10262 0.04839 0.06967 ++ {0.0} {} 1195.83337402 66.0060 0 {} 0 136 {19.HN} 8.21052 0.02664 0.04113 ++ {0.0} {} {19.HB2} 3.08053 0.05404 0.08965 ++ {0.0} {} 2616.61791992 149.7040 0 {} 0 137 {19.HN} 8.21063 0.02610 0.04184 ++ {0.0} {} {19.HB1} 2.90121 0.04784 0.09320 ++ {0.0} {} 3548.02905273 222.0990 0 {} 0 138 {21.HN} 8.06003 0.02720 0.03884 ++ {0.0} {} {21.HB2} 3.19936 0.06148 0.08773 ++ {0.0} {} 2226.36474609 102.9110 0 {} 0 139 {23.HN} 7.85845 0.01753 0.02505 ++ {0.0} {} {23.HB1} 3.14674 0.04039 0.03203 ++ {0.0} {} 511.608551025 36.5998 0 {} 0 140 {15.HN} 8.10718 0.03038 0.05028 ++ {0.0} {} {15.HB1} 3.10199 0.04692 0.09461 ++ {0.0} {} 5236.41552734 260.8250 0 {} 0 141 {20.HN} 8.12253 0.02354 0.02780 ++ {0.0} {} {19.HB1} 2.90032 0.07152 0.08076 ++ {0.0} {} 1205.75280762 59.9234 0 {} 0 142 {15.HN} 8.10538 0.02379 0.03144 ++ {0.0} {} {14.HB2} 2.83769 0.08505 0.11734 ++ {0.0} {} 2024.08703613 79.0775 0 {} 0 143 {14.HN} 7.99638 0.02594 0.04264 ++ {0.0} {} {14.HB2} 2.83786 0.04809 0.09761 ++ {0.0} {} 3674.11621094 191.4420 0 {} 0 144 {15.HN} 8.10507 0.02744 0.03380 ++ {0.0} {} {14.HB1} 2.75834 0.05102 0.07465 ++ {0.0} {} 1290.10717773 69.5447 0 {} 0 145 {14.HN} 7.99556 0.02776 0.04373 ++ {0.0} {} {14.HB1} 2.76160 0.04236 0.09140 ++ {0.0} {} 2472.01342773 142.1630 0 {} 0 146 {23.HN} 7.85685 0.02849 0.03666 ++ {0.0} {} {23.HB2} 2.75455 0.06065 0.08296 ++ {0.0} {} 2043.1496582 96.0339 0 {} 0 147 {5.HN} 7.55247 0.02226 0.03625 ++ {0.0} {} {4.HB2} 3.10707 0.06458 0.09130 ++ {0.0} {} 1755.86315918 102.1020 0 {} 0 148 {4.HN} 7.46508 0.02806 0.04478 ++ {0.0} {} {4.HB1} 3.10714 0.05956 0.12388 ++ {0.0} {} 5565.78417969 294.4070 0 {} 0 149 {} 7.39644 0.01970 0.01866 ++ {0.0} {} {} 3.06642 0.04006 0.03642 ++ {0.0} {} 406.848175049 40.4979 0 {} 0 150 {14.HD21} 7.45635 0.01943 0.01994 ++ {0.0} {} {14.HB2} 2.83976 0.04325 0.04466 ++ {0.0} {} 572.362548828 45.6649 0 {} 0 151 {14.HD21} 7.45768 0.02126 0.01965 ++ {0.0} {} {14.HB1} 2.75748 0.03909 0.03523 ++ {0.0} {} 373.866973877 40.2009 0 {} 0 152 {2.HD2} 7.34558 0.02986 0.03603 ++ {0.0} {} {4.HB1} 3.10231 0.04801 0.06780 ++ {0.0} {} 1390.63635254 69.3916 0 {} 0 153 {} 7.30971 0.02278 0.04268 ++ {0.0} {} {} 3.06108 0.04616 0.08359 ++ {0.0} {} 2139.60766602 133.6240 0 {} 0 154 {22.HN} 7.80277 0.01109 0.01584 ++ {0.0} {} {21.HB2} 3.19735 0.01993 0.02847 ++ {0.0} {} 105.079681396 21.7859 0 {} 0 155 {16.HN} 8.50099 0.03101 0.04878 ++ {0.0} {} {17.HB1} 3.30106 0.04258 0.08619 ++ {0.0} {} 2585.96020508 129.4730 0 {} 0 156 {6.HN} 8.08038 0.04558 0.07139 ++ {0.0} {} {6.HA1} 3.86727 0.06147 0.07433 ++ {0.0} {} 14417.9208984 643.1650 0 {} 0 157 {12.HN} 8.65264 0.04081 0.04092 ++ {0.0} {} {9.HA} 3.78672 0.07692 0.07955 ++ {0.0} {} 4326.52294922 192.5000 0 {} 0 158 {8.HN} 7.72793 0.02705 0.06755 ++ {0.0} {} {7.HA} 4.20696 0.04267 0.09067 ++ {0.0} {} 2521.26245117 200.5590 0 {} 0 159 {17.HN} 8.28518 0.02595 0.04537 ++ {0.0} {} {14.HA} 4.56167 0.06396 0.09491 ++ {0.0} {} 3119.1262207 216.7500 0 {} 0 160 {} 8.51381 0.00419 0.00599 ++ {0.0} {} {} 2.35280 0.01230 0.01757 ++ {0.0} {} 20.4276752472 22.1033 -1 {} 0 161 {3.HN} 8.73910 0.02421 0.03033 ++ {0.0} {} {3.HG1} 2.25620 0.05762 0.07433 ++ {0.0} {} 986.814208984 54.0129 0 {} 0 162 {12.HN} 8.65307 0.03056 0.06161 ++ {0.0} {} {12.HB} 2.20817 0.04469 0.09142 ++ {0.0} {} 4044.27856445 204.2530 0 {} 0 163 {13.HN} 8.61053 0.03414 0.04400 ++ {0.0} {} {12.HB} 2.20871 0.04385 0.07935 ++ {0.0} {} 2312.73608398 116.0120 0 {} 0 164 {3.HN} 8.74021 0.02138 0.03569 ++ {0.0} {} {3.HB1} 1.96434 0.07930 0.13492 ++ {0.0} {} 2797.171875 122.9730 0 {} 0 165 {} 8.51426 0.01716 0.01614 ++ {0.0} {} {} 1.88417 0.03047 0.02819 ++ {0.0} {} 175.815719604 33.4894 0 {} 0 166 {9.HN} 8.43987 0.02369 0.04007 ++ {0.0} {} {8.HB} 2.10975 0.03791 0.08024 ++ {0.0} {} 1867.89501953 132.0620 0 {} 0 167 {16.HN} 8.50195 0.02842 0.05100 ++ {0.0} {} {16.HB} 2.10682 0.04072 0.08910 ++ {0.0} {} 2925.05297852 169.3950 0 {} 0 168 {17.HN} 8.28175 0.02380 0.03593 ++ {0.0} {} {16.HB} 2.10749 0.04025 0.08317 ++ {0.0} {} 1588.36474609 112.6890 0 {} 0 169 {9.HN} 8.43960 0.02638 0.04865 ++ {0.0} {} {9.HB} 1.87845 0.03998 0.08869 ++ {0.0} {} 3678.18725586 222.9530 0 {} 0 170 {10.HN} 8.14507 0.02696 0.04049 ++ {0.0} {} {9.HB} 1.87786 0.03783 0.07466 ++ {0.0} {} 1769.17700195 121.9320 0 {} 0 171 {15.HN} 8.10330 0.02092 0.01901 ++ {0.0} {} {16.HB} 2.10975 0.03215 0.02756 ++ {0.0} {} 212.566513062 31.4974 0 {} 0 172 {23.HN} 7.85556 0.02937 0.03908 ++ {0.0} {} {22.HB} 1.84082 0.05257 0.08479 ++ {0.0} {} 1772.12353516 83.8037 0 {} 0 173 {22.HN} 7.80746 0.03000 0.04367 ++ {0.0} {} {22.HB} 1.84223 0.04748 0.09231 ++ {0.0} {} 2559.50561523 124.8500 0 {} 0 174 {4.HN} 7.46554 0.00934 0.01334 ++ {0.0} {} {3.HG2} 2.25864 0.02186 0.03123 ++ {0.0} {} 105.111686707 21.6835 0 {} 0 175 {8.HN} 7.71319 0.02473 0.04735 ++ {0.0} {} {8.HB} 2.11409 0.03735 0.08513 ++ {0.0} {} 3023.45874023 202.9780 0 {} 0 176 {7.HN} 7.74173 0.02702 0.07761 ++ {0.0} {} {7.HB2} 1.99027 0.05374 0.18035 ++ {0.0} {} 3723.01245117 161.3020 0 {} 0 177 {4.HN} 7.46326 0.02249 0.02821 ++ {0.0} {} {3.HB2} 1.97296 0.06799 0.08802 ++ {0.0} {} 1140.57824707 55.7747 0 {} 0 178 {9.HN} 8.43966 0.02690 0.04619 ++ {0.0} {} {7.HD1} 1.63034 0.05759 0.11592 ++ {0.0} {} 3398.98339844 171.7180 0 {} 0 179 {10.HN} 8.14360 0.03279 0.03095 ++ {0.0} {} {7.HD1} 1.63226 0.05260 0.04723 ++ {0.0} {} 699.41192627 32.4768 0 {} 0 180 {6.HN} 8.07768 0.03136 0.04639 ++ {0.0} {} {5.HB2} 1.64707 0.05585 0.09939 ++ {0.0} {} 2503.64672852 113.4040 0 {} 0 181 {7.HN} 7.74922 0.00824 0.01177 ++ {0.0} {} {7.HD2} 1.72595 0.02169 0.03099 ++ {0.0} {} 71.3815307617 24.6495 0 {} 0 182 {8.HN} 7.71375 0.02559 0.04420 ++ {0.0} {} {7.HD1} 1.64574 0.05117 0.09378 ++ {0.0} {} 3129.37792969 158.4460 0 {} 0 183 {5.HN} 7.55266 0.02636 0.04746 ++ {0.0} {} {5.HB1} 1.64339 0.05195 0.12262 ++ {0.0} {} 7333.02197266 392.6610 0 {} 0 184 {4.HN} 7.46275 0.01075 0.01536 ++ {0.0} {} {5.HG} 1.64536 0.04444 0.02784 ++ {0.0} {} 219.720932007 26.2018 0 {} 0 185 {7.HN} 7.74408 0.02670 0.03814 ++ {0.0} {} {7.HD1} 1.63341 0.05370 0.08902 ++ {0.0} {} 2239.62426758 100.4530 0 {} 0 186 {7.HN} 7.74413 0.01572 0.02245 ++ {0.0} {} {7.HG1} 1.47666 0.04129 0.03640 ++ {0.0} {} 408.353546143 32.1804 0 {} 0 187 {} 7.74984 0.02473 0.04735 ++ {0.0} {} {} 2.08936 0.03735 0.08513 ++ {0.0} {} 657.099243164 202.9778 -1 {} 0 188 {12.HN} 8.65332 0.02959 0.07623 ++ {0.0} {} {12.HG21} 1.09129 0.05608 0.08599 ++ {0.0} {} 4453.90283203 251.5580 0 {} 0 189 {13.HN} 8.61399 0.01848 0.02640 ++ {0.0} {} {12.HG21} 1.08992 0.06115 0.06848 ++ {0.0} {} 773.081542969 45.9883 0 {} 0 190 {9.HN} 8.43970 0.02672 0.03715 ++ {0.0} {} {9.HG12} 1.22471 0.05199 0.07733 ++ {0.0} {} 1531.31726074 81.1203 0 {} 0 191 {11.HN} 8.19912 0.02257 0.02027 ++ {0.0} {} {12.HG21} 1.08945 0.02729 0.03898 ++ {0.0} {} 200.790206909 30.4808 0 {} 0 192 {16.HN} 8.50166 0.02871 0.05203 ++ {0.0} {} {16.HG11} 1.06064 0.03185 0.07537 ++ {0.0} {} 2273.48291016 241.0770 0 {} 0 193 {17.HN} 8.28245 0.02291 0.03141 ++ {0.0} {} {16.HG11} 1.06095 0.03208 0.05053 ++ {0.0} {} 590.051147461 73.1718 0 {} 0 194 {15.HN} 8.10504 0.02531 0.03011 ++ {0.0} {} {16.HG11} 1.06159 0.04009 0.05307 ++ {0.0} {} 726.946472168 49.1466 0 {} 0 195 {8.HN} 7.71179 0.02523 0.03651 ++ {0.0} {} {8.HG12} 1.17306 0.04307 0.07299 ++ {0.0} {} 1241.62561035 75.4378 0 {} 0 196 {12.HN} 8.65408 0.03018 0.05024 ++ {0.0} {} {12.HG11} 0.99271 0.04204 0.08671 ++ {0.0} {} 1528.19580078 87.7193 0 {} 0 197 {13.HN} 8.60920 0.03096 0.03966 ++ {0.0} {} {12.HG11} 0.99164 0.03362 0.04642 ++ {0.0} {} 621.944824219 58.1071 0 {} 0 198 {} 8.65893 0.03104 0.03014 ++ {0.0} {} {} 0.92911 0.03900 0.03754 ++ {0.0} {} 478.665374756 34.6902 0 {} 0 199 {12.HN} 8.61093 0.00694 0.03105 ++ {0.0} {} {9.HD11} 0.86677 0.00824 0.04071 ++ {0.0} {} 59.068687439 20.5650 0 {} 0 200 {} 8.65885 0.00278 0.00397 ++ {0.0} {} {} 0.85594 0.00648 0.00925 ++ {0.0} {} 19.9045944214 19.9046 -1 {} 0 201 {} 8.70220 0.00717 0.01024 ++ {0.0} {} {} 0.77921 0.03119 0.00595 ++ {0.0} {} -5.486515522 19.8940 -1 {} 0 202 {} 8.51798 0.01078 0.01539 ++ {0.0} {} {} 0.85656 0.04119 0.03111 ++ {0.0} {} 194.511871338 28.9120 0 {} 0 203 {} 8.49751 0.02664 0.02593 ++ {0.0} {} {} 0.99478 0.04928 0.07041 ++ {0.0} {} 520.690673828 34.5912 0 {} 0 204 {} 8.28359 0.00856 0.01223 ++ {0.0} {} {} 0.99362 0.03541 0.01514 ++ {0.0} {} 110.792816162 22.8898 0 {} 0 205 {16.HN} 8.50187 0.02822 0.04087 ++ {0.0} {} {16.HG21} 0.91895 0.03365 0.08744 ++ {0.0} {} 901.563842773 93.0251 0 {} 0 206 {9.HN} 8.43818 0.02392 0.03394 ++ {0.0} {} {8.HG11} 0.93140 0.02802 0.04028 ++ {0.0} {} 440.755126953 63.9867 0 {} 0 207 {17.HN} 8.28233 0.02554 0.03346 ++ {0.0} {} {16.HG21} 0.91500 0.02656 0.03688 ++ {0.0} {} 474.205108643 58.8716 0 {} 0 208 {11.HN} 8.20439 0.00836 0.01195 ++ {0.0} {} {8.HD11} 0.92290 0.03597 0.02010 ++ {0.0} {} 80.0034484863 24.9707 0 {} 0 209 {9.HN} 8.44002 0.02563 0.04068 ++ {0.0} {} {9.HD11} 0.85342 0.06139 0.08930 ++ {0.0} {} 2129.27978516 120.0990 0 {} 0 210 {10.HN} 8.14540 0.02236 0.03460 ++ {0.0} {} {9.HD11} 0.85509 0.05623 0.07580 ++ {0.0} {} 1377.20751953 83.9690 0 {} 0 211 {15.HN} 8.10368 0.01494 0.02134 ++ {0.0} {} {12.HG11} 0.99172 0.03662 0.03042 ++ {0.0} {} 272.533630371 30.7816 0 {} 0 212 {14.HN} 7.99533 0.00431 0.00616 ++ {0.0} {} {12.HG11} 0.99402 0.03542 0.00370 ++ {0.0} {} 55.7756004333 18.9884 0 {} 0 213 {15.HN} 8.10257 0.03494 0.04991 ++ {0.0} {} {16.HG21} 0.92032 0.03489 0.03115 ++ {0.0} {} 542.887817383 32.5111 0 {} 0 214 {21.HN} 8.06560 0.00597 0.00852 ++ {0.0} {} {22.HG21} 0.81883 0.03404 0.01073 ++ {0.0} {} 62.3224182129 21.3624 0 {} 0 215 {22.HN} 7.80545 0.02921 0.04496 ++ {0.0} {} {22.HG21} 0.81980 0.02623 0.04363 ++ {0.0} {} 1067.64599609 106.9120 0 {} 0 216 {23.HN} 7.85364 0.01217 0.03013 ++ {0.0} {} {22.HG21} 0.81780 0.02878 0.04474 ++ {0.0} {} 111.994293213 26.8249 0 {} 0 217 {23.HN} 7.85278 0.02772 0.02661 ++ {0.0} {} {22.HG11} 0.59155 0.03044 0.02829 ++ {0.0} {} 301.008880615 33.6237 0 {} 0 218 {23.HN} 7.80482 0.02595 0.02662 ++ {0.0} {} {22.HG11} 0.59251 0.03460 0.03642 ++ {0.0} {} 349.434051514 37.9897 0 {} 0 219 {5.HN} 7.55186 0.01887 0.01801 ++ {0.0} {} {5.HD21} 0.98756 0.02619 0.02472 ++ {0.0} {} 202.850860596 34.0817 0 {} 0 220 {4.HN} 7.46598 0.01286 0.01838 ++ {0.0} {} {5.HD21} 0.99363 0.03650 0.01602 ++ {0.0} {} 174.92565918 23.0546 0 {} 0 221 {8.HN} 7.75113 0.01340 0.01914 ++ {0.0} {} {8.HD11} 0.92701 0.03855 0.00951 ++ {0.0} {} 172.871856689 20.5272 0 {} 0 222 {8.HN} 7.71315 0.02548 0.04238 ++ {0.0} {} {8.HD11} 0.92795 0.04468 0.07041 ++ {0.0} {} 1381.97680664 85.5947 0 {} 0 223 {5.HN} 7.55181 0.02252 0.02481 ++ {0.0} {} {8.HD11} 0.92220 0.03588 0.04056 ++ {0.0} {} 422.524414062 41.3880 0 {} 0 224 {8.HN} 7.71306 0.02267 0.03533 ++ {0.0} {} {9.HG11} 0.87006 0.04928 0.07041 ++ {0.0} {} 1273.25622559 75.4355 0 {} 0 225 {} 7.55594 0.00341 0.00488 ++ {0.0} {} {} 0.88166 0.01588 0.02268 ++ {0.0} {} 20.8132801056 20.8133 -1 {} 0 226 {} 3.38760 0.03168 0.04150 ++ {0.0} {} {} 4.54883 0.02923 0.05352 ++ {0.0} {} 1299.44165039 145.8350 0 {} 0 227 {10.HB1} 3.32724 0.02621 0.03696 ++ {0.0} {} {7.HA} 4.20808 0.04426 0.06156 ++ {0.0} {} 2499.55322266 171.7100 0 {} 0 228 {7.HB2} 2.02658 0.03029 0.03090 ++ {0.0} {} {4.HA} 4.56132 0.03982 0.04134 ++ {0.0} {} 365.109161377 23.9463 0 {} 0 229 {8.HB} 2.10735 0.05128 0.08680 ++ {0.0} {} {5.HA} 4.11587 0.04070 0.07477 ++ {0.0} {} 2286.14575195 78.8805 0 {} 0 230 {9.HB} 1.87970 0.05849 0.09232 ++ {0.0} {} {6.HA2} 3.77432 0.02484 0.04422 ++ {0.0} {} 1826.28833008 104.8150 0 {} 0 231 {} 2.10501 0.03665 0.04526 ++ {0.0} {} {} 3.88320 0.00710 0.00868 ++ {0.0} {} 383.50692749 29.6030 -1 {} 0 232 {14.HB1} 2.76872 0.02821 0.04538 ++ {0.0} {} {11.HA} 4.55435 0.03842 0.04364 ++ {0.0} {} 3711.7824707 254.9090 0 {} 0 233 {17.HB1} 3.31331 0.03620 0.08990 ++ {0.0} {} {14.HA} 4.57699 0.09356 0.09383 ++ {0.0} {} 11029.0009766 372.7000 0 {} 0 234 {22.HB} 1.84848 0.02670 0.03814 ++ {0.0} {} {19.HA} 4.41937 0.03662 0.02354 ++ {0.0} {} 284.545471191 21.2161 0 {} 0 235 {9.HN} 8.43415 0.01089 0.05668 ++ {0.0} {} {6.HA1} 3.76152 0.03093 0.05267 ++ {0.0} {} 683.042724609 24.0510 0 {} 0 236 {11.HN} 8.19616 0.02050 0.02602 ++ {0.0} {} {8.HA} 3.86284 0.05848 0.08070 ++ {0.0} {} 1415.54406738 17.4836 0 {} 0 237 {14.HN} 7.99406 0.02272 0.04445 ++ {0.0} {} {11.HA} 4.55141 0.03442 0.07314 ++ {0.0} {} 2414.23608398 260.2380 0 {} 0 238 {15.HN} 8.10884 0.01690 0.03214 ++ {0.0} {} {12.HA} 3.83130 0.05245 0.06697 ++ {0.0} {} 1398.12658691 18.2649 0 {} 0 239 {18.HN} 8.11131 0.01559 0.03979 ++ {0.0} {} {15.HA} 4.40197 0.05989 0.05551 ++ {0.0} {} 2093.57519531 9.4560 0 {} 0 240 {21.HN} 8.07095 0.02059 0.04036 ++ {0.0} {} {18.HA2} 3.90132 0.06160 0.07238 ++ {0.0} {} 5027.16503906 13.4851 0 {} 0 241 {22.HA} 3.89214 0.03768 0.04455 ++ {0.0} {} {22.HG11} 0.58674 0.02944 0.03738 ++ {0.0} {} 516.084777832 49.2734 0 {} 0 242 {22.HB} 1.84775 0.05535 0.08300 ++ {0.0} {} {22.HG11} 0.58698 0.03112 0.05661 ++ {0.0} {} 1942.54504395 102.1915 0 {} 0 243 {22.HG11} 0.59612 0.02054 0.03520 ++ {0.0} {} {22.HB} 1.83492 0.06325 0.10695 ++ {0.0} {} 3660.75268555 223.9997 0 {} 0 244 {22.HG11} 0.60562 0.01929 0.02134 ++ {0.0} {} {19.HB2} 3.06979 0.06484 0.07031 ++ {0.0} {} 613.200256348 40.7228 0 {} 0 245 {22.HG11} 0.59185 0.01613 0.02304 ++ {0.0} {} {22.HN} 7.85487 0.03613 0.03165 ++ {0.0} {} 295.609588623 32.0167 0 {} 0 246 {22.HG21} 0.82065 0.02628 0.03867 ++ {0.0} {} {22.HN} 7.81147 0.06440 0.08208 ++ {0.0} {} 2302.203125 116.2744 0 {} 0 247 {22.HB} 1.84108 0.03243 0.06687 ++ {0.0} {} {22.HN} 7.81244 0.06010 0.07117 ++ {0.0} {} 1798.02099609 56.1060 0 {} 0 248 {22.HA} 3.89419 0.02328 0.02939 ++ {0.0} {} {22.HN} 7.81645 0.04928 0.07041 ++ {0.0} {} 984.335632324 59.3727 0 {} 0 249 {} 0.82257 0.01921 0.03267 ++ {0.0} {} {} 1.83923 0.07802 0.15407 ++ {0.0} {} 8392.83398437 493.7511 0 {} 0 250 {22.HB} 1.85001 0.05194 0.09114 ++ {0.0} {} {22.HG21} 0.82018 0.06747 0.10657 ++ {0.0} {} 9060.73242187 202.1241 0 {} 0 251 {} 1.84230 0.03243 0.05903 ++ {0.0} {} {} 7.84842 0.06010 0.08428 ++ {0.0} {} 1734.04992676 56.1060 -1 {} 0 252 {9.HB} 1.87840 0.04943 0.10156 ++ {0.0} {} {9.HG11} 0.84852 0.05556 0.08628 ++ {0.0} {} 8861.23242188 251.5431 0 {} 0 253 {9.HG12} 1.24479 0.04125 0.06012 ++ {0.0} {} {9.HD11} 0.81429 0.04650 0.09002 ++ {0.0} {} 3074.28271484 95.9076 0 {} 0 254 {9.HD11} 0.81817 0.01848 0.02640 ++ {0.0} {} {9.HG12} 1.21800 0.05945 0.07077 ++ {0.0} {} 1855.26013184 109.0101 0 {} 0 255 {9.HD11} 0.81788 0.03080 0.04400 ++ {0.0} {} {9.HA} 3.78610 0.04958 0.08793 ++ {0.0} {} 6704.0703125 245.8051 0 {} 0 256 {9.HB} 1.87937 0.06170 0.08990 ++ {0.0} {} {9.HN} 8.44189 0.06853 0.08436 ++ {0.0} {} 4203.66845703 98.9249 0 {} 0 257 {} 0.82068 0.02333 0.02475 ++ {0.0} {} {} 8.44359 0.03283 0.03559 ++ {0.0} {} 287.488494873 39.2884 0 {} 0 258 {7.HD1} 1.62958 0.06177 0.07879 ++ {0.0} {} {9.HN} 8.44227 0.03355 0.05213 ++ {0.0} {} 1261.31164551 62.9694 0 {} 0 259 {9.HG12} 1.23398 0.04370 0.06242 ++ {0.0} {} {9.HN} 8.44191 0.04193 0.02878 ++ {0.0} {} 743.536132812 27.3954 0 {} 0 260 {9.HA} 3.77405 0.02636 0.03494 ++ {0.0} {} {9.HN} 8.43946 0.02356 0.03815 ++ {0.0} {} 953.643493652 94.5727 0 {} 0 261 {13.HN} 8.61789 0.01437 0.02054 ++ {0.0} {} {15.HN} 8.10896 0.03389 0.02822 ++ {0.0} {} 177.587783813 30.8317 0 {} 0 262 {9.HD11} 0.86630 0.05779 0.05516 ++ {0.0} {} {9.HA} 3.76006 0.06004 0.06708 ++ {0.0} {} 10578.8955078 430.2901 0 {} 0 263 {8.HB} 2.10703 0.05519 0.10083 ++ {0.0} {} {8.HD11} 0.87495 0.04983 0.08992 ++ {0.0} {} 6258.72460937 374.7544 0 {} 0 264 {8.HB} 2.11067 0.05519 0.10083 ++ {0.0} {} {8.HG11} 0.91798 0.04983 0.08992 ++ {0.0} {} 12885.4316406 374.7544 0 {} 0 265 {8.HD11} 0.86951 0.01915 0.03028 ++ {0.0} {} {8.HG12} 1.16406 0.02731 0.04541 ++ {0.0} {} 1368.99157715 208.1748 0 {} 0 266 {8.HD11} 0.86947 0.02987 0.04587 ++ {0.0} {} {8.HB} 2.09916 0.04009 0.06699 ++ {0.0} {} 2105.14111328 121.7439 0 {} 0 267 {8.HG11} 0.92610 0.03276 0.06338 ++ {0.0} {} {8.HB} 2.10185 0.04296 0.12196 ++ {0.0} {} 12359.4248047 557.2674 0 {} 0 268 {9.HD11} 0.82281 0.03897 0.05130 ++ {0.0} {} {8.HA} 3.87372 0.04307 0.06304 ++ {0.0} {} 10634.3164062 111.1847 0 {} 0 269 {8.HD11} 0.92901 0.03127 0.04717 ++ {0.0} {} {8.HA} 3.86646 0.04505 0.07153 ++ {0.0} {} 9959.76269531 161.1536 0 {} 0 270 {} 2.10175 0.02181 0.03115 ++ {0.0} {} {} 1.16989 0.03140 0.02044 ++ {0.0} {} 316.517944336 33.3532 0 {} 0 271 {5.HA} 4.11607 0.01125 0.01608 ++ {0.0} {} {5.HD11} 0.96039 0.03333 0.01364 ++ {0.0} {} 133.743942261 28.2827 0 {} 0 272 {5.HA} 4.12262 0.02522 0.02920 ++ {0.0} {} {5.HB1} 1.63844 0.04796 0.06569 ++ {0.0} {} 1131.77404785 60.0158 0 {} 0 273 {5.HD21} 0.93197 0.02913 0.06161 ++ {0.0} {} {5.HB2} 1.63855 0.04878 0.11677 ++ {0.0} {} 7149.10595703 360.9159 0 {} 0 274 {5.HB2} 1.66670 0.06379 0.05940 ++ {0.0} {} {5.HD21} 0.95351 0.04223 0.11734 ++ {0.0} {} 3043.06982422 205.8644 0 {} 0 275 {5.HB1} 1.64778 0.05418 0.10437 ++ {0.0} {} {5.HA} 4.11103 0.04154 0.08142 ++ {0.0} {} 6545.29492188 219.6861 0 {} 0 276 {5.HD11} 0.98277 0.02893 0.05187 ++ {0.0} {} {5.HA} 4.11140 0.04035 0.07849 ++ {0.0} {} 2663.63110352 176.5510 0 {} 0 277 {5.HD11} 0.92901 0.03197 0.06747 ++ {0.0} {} {5.HA} 4.11029 0.04505 0.07893 ++ {0.0} {} 2921.95166016 161.1536 0 {} 0 278 {} 0.87012 0.03897 0.06747 ++ {0.0} {} {} 4.11037 0.04307 0.07623 ++ {0.0} {} 2417.14331055 111.1847 0 {} 0 279 {12.HB} 2.18644 0.04406 0.07301 ++ {0.0} {} {12.HG11} 0.99092 0.05438 0.08677 ++ {0.0} {} 8744.29394531 308.4248 0 {} 0 280 {12.HG21} 1.09729 0.02628 0.04374 ++ {0.0} {} {12.HB} 2.20200 0.04747 0.10361 ++ {0.0} {} 7446.92529297 412.6252 0 {} 0 281 {} 1.00135 0.02458 0.04026 ++ {0.0} {} {} 2.18398 0.06678 0.13552 ++ {0.0} {} 11122.7773437 597.9772 0 {} 0 282 {12.HG21} 1.09651 0.03747 0.04482 ++ {0.0} {} {12.HA} 3.82711 0.07412 0.08765 ++ {0.0} {} 18174.0507812 517.4573 0 {} 0 283 {12.HG11} 0.99314 0.04191 0.04375 ++ {0.0} {} {12.HA} 3.82684 0.08345 0.08610 ++ {0.0} {} 17988.1640625 434.4224 0 {} 0 284 {12.HG21} 1.09635 0.02859 0.04082 ++ {0.0} {} {12.HN} 8.65768 0.06658 0.09037 ++ {0.0} {} 5051.75634766 257.9757 0 {} 0 285 {12.HG11} 0.99552 0.02650 0.02509 ++ {0.0} {} {12.HN} 8.65519 0.04217 0.03800 ++ {0.0} {} 1073.01220703 79.9559 0 {} 0 286 {12.HB} 2.20616 0.04632 0.05409 ++ {0.0} {} {12.HN} 8.65444 0.04192 0.05807 ++ {0.0} {} 3432.94165039 110.1084 0 {} 0 287 {3.HA} 4.16844 0.02087 0.02963 ++ {0.0} {} {3.HB2} 1.98299 0.07102 0.09070 ++ {0.0} {} 1541.34692383 89.0851 0 {} 0 288 {3.HB1} 2.26040 0.04631 0.11159 ++ {0.0} {} {3.HB2} 1.97361 0.08258 0.21122 ++ {0.0} {} 11711.2578125 239.4991 0 {} 0 289 {3.HB2} 1.99409 0.04523 0.09503 ++ {0.0} {} {3.HB1} 2.25495 0.06114 0.12041 ++ {0.0} {} 7277.53076172 219.1072 0 {} 0 290 {3.HB1} 2.25817 0.03660 0.08665 ++ {0.0} {} {3.HA} 4.16429 0.02448 0.03855 ++ {0.0} {} 696.137023926 54.1647 0 {} 0 291 {7.HB1} 1.96438 0.07047 0.11110 ++ {0.0} {} {7.HA} 4.18488 0.06563 0.12011 ++ {0.0} {} 9659.75292969 151.1394 0 {} 0 292 {3.HB2} 1.98504 0.05113 0.07104 ++ {0.0} {} {3.HN} 8.73913 0.02453 0.03627 ++ {0.0} {} 776.500183105 44.1630 0 {} 0 293 {3.HB1} 2.25634 0.04836 0.05175 ++ {0.0} {} {3.HN} 8.74088 0.02673 0.02959 ++ {0.0} {} 377.88293457 25.7948 0 {} 0 294 {23.HB2} 3.16027 0.02380 0.03814 ++ {0.0} {} {23.HB1} 2.75236 0.06669 0.12984 ++ {0.0} {} 6265.26220703 393.2105 0 {} 0 295 {} 3.12837 0.02086 0.03814 ++ {0.0} {} {} 2.74997 0.06245 0.12752 ++ {0.0} {} 7633.86669922 494.9840 0 {} 0 296 {} 2.77916 0.01848 0.02640 ++ {0.0} {} {} 3.14058 0.03744 0.09085 ++ {0.0} {} 4127.33496094 388.0147 0 {} 0 297 {23.HB1} 2.72892 0.01848 0.02640 ++ {0.0} {} {23.HB2} 3.13525 0.02865 0.06517 ++ {0.0} {} 1611.87512207 230.4111 0 {} 0 298 {19.HB2} 3.07664 0.03771 0.06826 ++ {0.0} {} {19.HB1} 2.89572 0.03968 0.11745 ++ {0.0} {} 14453.2568359 645.6372 0 {} 0 299 {19.HB1} 2.90235 0.03578 0.07098 ++ {0.0} {} {19.HB2} 3.07496 0.06032 0.12561 ++ {0.0} {} 17986.4648437 742.6982 0 {} 0 300 {19.HB1} 2.90570 0.04782 0.06716 ++ {0.0} {} {19.HA} 4.41471 0.04423 0.08102 ++ {0.0} {} 3714.28710937 126.8833 0 {} 0 301 {19.HB2} 3.07131 0.03633 0.06914 ++ {0.0} {} {19.HA} 4.41259 0.03905 0.08635 ++ {0.0} {} 3736.14379883 194.4824 0 {} 0 302 {19.HB2} 3.07622 0.04177 0.06199 ++ {0.0} {} {19.HN} 8.21359 0.05659 0.08167 ++ {0.0} {} 3046.80834961 106.7553 0 {} 0 303 {19.HB1} 2.90710 0.05259 0.07494 ++ {0.0} {} {19.HN} 8.21398 0.05625 0.08137 ++ {0.0} {} 4125.02001953 115.3646 0 {} 0 304 {3.HN} 8.73821 0.01721 0.01715 ++ {0.0} {} {5.HN} 7.55335 0.05395 0.05326 ++ {0.0} {} 378.204864502 28.6108 0 {} 0 305 {15.HB2} 3.29976 0.04478 0.09082 ++ {0.0} {} {15.HB1} 3.09918 0.08185 0.11734 ++ {0.0} {} 23385.1347656 634.6572 0 {} 0 306 {15.HB1} 3.10470 0.04198 0.07584 ++ {0.0} {} {15.HB2} 3.29279 0.07194 0.15612 ++ {0.0} {} 16757.0019531 492.3080 0 {} 0 307 {10.HB1} 3.29785 0.03071 0.08483 ++ {0.0} {} {10.HA} 4.42438 0.04224 0.08683 ++ {0.0} {} 7116.14111328 530.0706 0 {} 0 308 {15.HB1} 3.11773 0.03071 0.06462 ++ {0.0} {} {15.HA} 4.42569 0.04224 0.08683 ++ {0.0} {} 3601.49902344 530.0706 0 {} 0 309 {15.HB1} 3.10720 0.04123 0.06887 ++ {0.0} {} {15.HN} 8.10875 0.02477 0.04446 ++ {0.0} {} 2115.66479492 140.4299 0 {} 0 310 {15.HB2} 3.28991 0.03137 0.07069 ++ {0.0} {} {15.HN} 8.11863 0.06619 0.07797 ++ {0.0} {} 5527.75927734 384.1468 0 {} 0 311 {17.HB1} 3.31680 0.02735 0.09307 ++ {0.0} {} {17.HA} 4.52835 0.04366 0.11855 ++ {0.0} {} 7262.40087891 95.7366 0 {} 0 312 {16.HG11} 1.06407 0.02563 0.02762 ++ {0.0} {} {17.HB2} 3.29601 0.04160 0.04607 ++ {0.0} {} 675.219848633 40.3189 0 {} 0 313 {} 0.99756 0.00904 0.01292 ++ {0.0} {} {} 3.30295 0.03320 0.02069 ++ {0.0} {} 118.810638428 26.1412 0 {} 0 314 {16.HG21} 0.91436 0.01508 0.02155 ++ {0.0} {} {15.HB2} 3.31483 0.04638 0.03617 ++ {0.0} {} 336.387878418 29.4982 0 {} 0 315 {9.HD11} 0.86142 0.02699 0.02660 ++ {0.0} {} {10.HB1} 3.31356 0.03961 0.03873 ++ {0.0} {} 493.675140381 35.2128 0 {} 0 316 {9.HD11} 0.82243 0.01018 0.01454 ++ {0.0} {} {10.HB1} 3.30232 0.02700 0.01419 ++ {0.0} {} 114.925697327 24.4102 0 {} 0 317 {17.HB1} 3.31547 0.02938 0.09171 ++ {0.0} {} {17.HN} 8.28423 0.05968 0.11734 ++ {0.0} {} 5961.40527344 302.0342 0 {} 0 318 {15.HB2} 3.30148 0.05747 0.07366 ++ {0.0} {} {16.HN} 8.50340 0.03633 0.06595 ++ {0.0} {} 2531.67211914 94.3763 0 {} 0 319 {10.HB1} 3.33120 0.02735 0.03928 ++ {0.0} {} {10.HA} 4.41132 0.04366 0.07624 ++ {0.0} {} 7449.15283203 95.7366 0 {} 0 320 {9.HD11} 0.86194 0.02757 0.03383 ++ {0.0} {} {10.HA} 4.41109 0.03270 0.03996 ++ {0.0} {} 433.154907227 46.2497 0 {} 0 321 {9.HD11} 0.82204 0.02704 0.03249 ++ {0.0} {} {10.HA} 4.41302 0.04221 0.05147 ++ {0.0} {} 711.745361328 45.0182 0 {} 0 322 {20.HA} 4.25680 0.01882 0.01966 ++ {0.0} {} {20.HN} 8.12806 0.01673 0.01766 ++ {0.0} {} 187.081954956 30.5051 0 {} 0 323 {20.HB2} 3.90426 0.03821 0.06339 ++ {0.0} {} {21.HN} 8.10681 0.03455 0.07567 ++ {0.0} {} 4581.18310547 319.2776 0 {} 0 324 {} 3.06485 0.02735 0.02869 ++ {0.0} {} {} 4.69859 0.04366 0.04732 ++ {0.0} {} 1566.23156738 95.7366 -1 {} 0 325 {} 2.20728 0.05495 0.07835 ++ {0.0} {} {} 1.08577 0.03371 0.06713 ++ {0.0} {} 3291.05444336 185.7924 0 {} 0 326 {16.HB} 2.10749 0.05224 0.08230 ++ {0.0} {} {16.HG11} 1.05603 0.03215 0.06029 ++ {0.0} {} 3562.7175293 204.0358 0 {} 0 327 {5.HB2} 1.66256 0.01027 0.05834 ++ {0.0} {} {8.HG12} 1.17538 0.07870 0.12410 ++ {0.0} {} 2645.70874023 171.9431 0 {} 0 328 {7.HD1} 1.60791 0.00616 0.06096 ++ {0.0} {} {8.HG12} 1.20167 0.04999 0.12770 ++ {0.0} {} 1297.31994629 191.3250 0 {} 0 329 {7.HD2} 1.73497 0.03728 0.05974 ++ {0.0} {} {7.HG2} 1.47454 0.08791 0.14857 ++ {0.0} {} 9438.07324219 247.5785 0 {} 0 330 {8.HB} 2.10437 0.05066 0.05359 ++ {0.0} {} {5.HB2} 1.63982 0.04539 0.04919 ++ {0.0} {} 2377.87670898 76.3259 0 {} 0 331 {} 1.96031 0.04359 0.05438 ++ {0.0} {} {} 1.62416 0.06069 0.07822 ++ {0.0} {} 3864.01953125 111.2025 0 {} 0 332 {} 1.86743 0.07250 0.08094 ++ {0.0} {} {} 1.62667 0.06472 0.07933 ++ {0.0} {} 4739.12060547 88.6529 0 {} 0 333 {7.HB2} 1.97480 0.03492 0.03302 ++ {0.0} {} {7.HD2} 1.73122 0.07694 0.06547 ++ {0.0} {} 1948.89868164 67.2309 0 {} 0 334 {7.HB2} 2.01976 0.01873 0.02676 ++ {0.0} {} {7.HD2} 1.73590 0.02335 0.03335 ++ {0.0} {} 378.748626709 44.9806 0 {} 0 335 {7.HB2} 2.01183 0.01134 0.01620 ++ {0.0} {} {7.HD1} 1.63798 0.04344 0.01658 ++ {0.0} {} 320.194610596 43.4347 0 {} 0 336 {7.HB2} 1.98099 0.01145 0.01636 ++ {0.0} {} {7.HG2} 1.46931 0.04150 0.02006 ++ {0.0} {} 347.158477783 46.3526 0 {} 0 337 {7.HG1} 1.48496 0.06734 0.10132 ++ {0.0} {} {7.HD1} 1.62233 0.06366 0.10901 ++ {0.0} {} 11907.0947266 252.9527 0 {} 0 338 {7.HG2} 1.47836 0.04932 0.07041 ++ {0.0} {} {7.HD2} 1.72378 0.07108 0.09174 ++ {0.0} {} 7487.84667969 195.6965 0 {} 0 339 {9.HG12} 1.21374 0.09866 0.15022 ++ {0.0} {} {7.HD1} 1.62768 0.05603 0.09963 ++ {0.0} {} 19226.9804687 251.0071 0 {} 0 340 {7.HD1} 1.61415 0.01027 0.05672 ++ {0.0} {} {9.HD11} 0.83383 0.07939 0.10651 ++ {0.0} {} 2173.02685547 130.5377 0 {} 0 341 {} 1.17505 0.06643 0.10299 ++ {0.0} {} {} 0.86383 0.03312 0.16097 ++ {0.0} {} 5169.00341797 250.3927 0 {} 0 342 {} 0.86748 0.03867 0.05574 ++ {0.0} {} {} 1.63183 0.04393 0.11203 ++ {0.0} {} 8473.6796875 348.9688 0 {} 0 343 {} 0.81895 0.03902 0.05574 ++ {0.0} {} {} 1.62357 0.05937 0.11620 ++ {0.0} {} 7807.71630859 279.3379 0 {} 0 344 {7.HD1} 1.65238 0.02313 0.03304 ++ {0.0} {} {8.HB} 2.10541 0.03163 0.01636 ++ {0.0} {} 478.602813721 47.4042 0 {} 0 345 {} 1.18060 0.01617 0.03219 ++ {0.0} {} {} 2.10261 0.03308 0.03896 ++ {0.0} {} 283.254241943 41.4683 0 {} 0 346 {16.HG11} 1.06317 0.02425 0.04092 ++ {0.0} {} {16.HB} 2.10191 0.04253 0.10182 ++ {0.0} {} 6797.10351562 425.5754 0 {} 0 347 {7.HD2} 1.73412 0.03885 0.05087 ++ {0.0} {} {7.HE2} 2.98096 0.04392 0.06728 ++ {0.0} {} 2901.71313477 125.6119 0 {} 0 348 {} 2.95737 0.04283 0.05215 ++ {0.0} {} {} 3.14816 0.05756 0.06602 ++ {0.0} {} 2428.84326172 83.1445 0 {} 0 349 {} 3.15053 0.02695 0.03850 ++ {0.0} {} {} 2.96035 0.05861 0.05272 ++ {0.0} {} 1440.86816406 60.3545 0 {} 0 350 {16.HG11} 1.06174 0.02864 0.06835 ++ {0.0} {} {16.HA} 3.72986 0.03841 0.07041 ++ {0.0} {} 5527.19189453 327.7227 0 {} 0 351 {16.HG21} 0.91838 0.03701 0.08507 ++ {0.0} {} {16.HA} 3.73117 0.04679 0.07041 ++ {0.0} {} 5834.07763672 260.1841 0 {} 0 352 {7.HE2} 2.98793 0.02894 0.03768 ++ {0.0} {} {7.HD2} 1.73271 0.03800 0.06223 ++ {0.0} {} 2079.70043945 132.0388 0 {} 0 353 {22.HA} 3.88618 0.02017 0.02882 ++ {0.0} {} {22.HG21} 0.82309 0.05683 0.05606 ++ {0.0} {} 1114.75671387 68.4462 0 {} 0 354 {22.HA} 3.88661 0.02113 0.02671 ++ {0.0} {} {22.HB} 1.83748 0.04924 0.06463 ++ {0.0} {} 1651.83630371 110.9594 0 {} 0 355 {} 3.85960 0.04866 0.05432 ++ {0.0} {} {} 0.92461 0.02963 0.03718 ++ {0.0} {} 1499.36669922 94.2981 0 {} 0 356 {8.HA} 3.85940 0.01485 0.01319 ++ {0.0} {} {8.HG12} 1.16116 0.03272 0.02806 ++ {0.0} {} 255.490722656 61.5363 0 {} 0 357 {8.HA} 3.85904 0.00994 0.01420 ++ {0.0} {} {7.HD1} 1.63045 0.04053 0.02674 ++ {0.0} {} 356.63772583 52.4541 0 {} 0 358 {16.HA} 3.73283 0.04632 0.05526 ++ {0.0} {} {16.HG21} 0.91054 0.02796 0.04134 ++ {0.0} {} 1885.14343262 134.7931 0 {} 0 359 {16.HA} 3.73249 0.03272 0.04855 ++ {0.0} {} {16.HG11} 1.05453 0.02997 0.05139 ++ {0.0} {} 2256.63134766 186.8829 0 {} 0 360 {14.HD21} 7.45563 0.02251 0.06375 ++ {0.0} {} {14.HD22} 6.73375 0.05840 0.08824 ++ {0.0} {} 24043.7421875 1701.0991 0 {} 0 361 {3.HE21} 7.34086 0.02033 0.04463 ++ {0.0} {} {3.HE22} 6.78762 0.03106 0.07358 ++ {0.0} {} 12158.2207031 1901.7046 0 {} 0 362 {} 7.18001 0.01608 0.02545 ++ {0.0} {} {} 6.95041 0.02821 0.06046 ++ {0.0} {} 8038.04150391 1523.4573 0 {} 0 363 {3.HE21} 7.34211 0.02063 0.02887 ++ {0.0} {} {3.HG2} 2.25686 0.05246 0.07518 ++ {0.0} {} 0.0 57.0023 0 {} 0 364 {} 3.10784 0.05009 0.10456 ++ {0.0} {} {} 7.21575 0.02652 0.04685 ++ {0.0} {} 0.0 301.2305 0 {} 0 365 {4.HB1} 3.10879 0.03497 0.05865 ++ {0.0} {} {4.HN} 7.46613 0.04090 0.07085 ++ {0.0} {} 0.0 201.3507 0 {} 0 366 {4.HB2} 3.10883 0.03176 0.03287 ++ {0.0} {} {5.HN} 7.55064 0.03546 0.03749 ++ {0.0} {} 0.0 74.5632 0 {} 0 367 {} 3.29815 0.05470 0.06941 ++ {0.0} {} {} 7.22093 0.03507 0.06373 ++ {0.0} {} 0.0 143.8064 0 {} 0 368 {2.HB1} 3.31966 0.03434 0.05265 ++ {0.0} {} {2.HD2} 7.32065 0.03531 0.06623 ++ {0.0} {} 0.0 129.8797 0 {} 0 369 {} 2.90350 0.05726 0.05657 ++ {0.0} {} {} 7.15969 0.03985 0.03850 ++ {0.0} {} 0.0 67.9969 0 {} 0 370 {} 3.06095 0.03714 0.04685 ++ {0.0} {} {} 7.30630 0.02995 0.04178 ++ {0.0} {} 0.0 116.1466 0 {} 0 371 {14.HB2} 2.83079 0.04211 0.04782 ++ {0.0} {} {14.HN} 7.99855 0.03302 0.04255 ++ {0.0} {} 0.0 98.8048 0 {} 0 372 {14.HB1} 2.76669 0.02337 0.03426 ++ {0.0} {} {14.HN} 7.99965 0.03311 0.05460 ++ {0.0} {} 0.0 139.7611 0 {} 0 373 {14.HB1} 2.76701 0.03030 0.03134 ++ {0.0} {} {15.HN} 8.10686 0.02831 0.02953 ++ {0.0} {} 0.0 73.4610 0 {} 0 374 {14.HB2} 2.83731 0.01804 0.02577 ++ {0.0} {} {15.HN} 8.10691 0.02737 0.01724 ++ {0.0} {} 0.0 51.3074 0 {} 0 375 {11.HB1} 3.40979 0.03504 0.04363 ++ {0.0} {} {11.HN} 8.19893 0.03118 0.04124 ++ {0.0} {} 0.0 103.7554 0 {} 0 376 {11.HB2} 3.52587 0.04706 0.05188 ++ {0.0} {} {11.HN} 8.19873 0.02948 0.03591 ++ {0.0} {} 0.0 89.9178 0 {} 0 377 {16.HA} 3.73569 0.02849 0.02821 ++ {0.0} {} {17.HN} 8.28618 0.04564 0.04490 ++ {0.0} {} 0.0 69.1709 0 {} 0 378 {16.HA} 3.73532 0.03102 0.03874 ++ {0.0} {} {16.HN} 8.50148 0.03505 0.05030 ++ {0.0} {} 0.0 118.1877 0 {} 0 379 {15.HB1} 3.10595 0.02584 0.03692 ++ {0.0} {} {16.HN} 8.50360 0.02977 0.02163 ++ {0.0} {} 0.0 55.2085 0 {} 0 380 {16.HB} 2.10655 0.05112 0.06910 ++ {0.0} {} {16.HN} 8.50196 0.03760 0.08144 ++ {0.0} {} 0.0 108.4610 0 {} 0 381 {8.HB} 2.11000 0.05949 0.07560 ++ {0.0} {} {8.HN} 7.71911 0.06251 0.07450 ++ {0.0} {} 0.0 118.6578 0 {} 0 382 {11.HB1} 3.40621 0.02166 0.03094 ++ {0.0} {} {12.HN} 8.65776 0.04532 0.02858 ++ {0.0} {} 0.0 51.3347 0 {} 0 383 {11.HB2} 3.51891 0.02451 0.03501 ++ {0.0} {} {12.HN} 8.66015 0.04098 0.03105 ++ {0.0} {} 0.0 56.5814 0 {} 0 384 {8.HA} 3.85560 0.01027 0.01467 ++ {0.0} {} {8.HN} 7.72885 0.05342 0.04841 ++ {0.0} {} 0.0 60.9291 0 {} 0 385 {6.HA1} 3.77615 0.02174 0.03179 ++ {0.0} {} {6.HN} 8.07986 0.02927 0.04420 ++ {0.0} {} 0.0 143.5208 0 {} 0 386 {} 3.74570 0.02042 0.02433 ++ {0.0} {} {} 8.08019 0.02962 0.03823 ++ {0.0} {} 0.0 99.0995 -1 {} 0 387 {} 3.77452 0.02426 0.03466 ++ {0.0} {} {} 8.14159 0.02997 0.04281 ++ {0.0} {} 0.0 62.4450 -1 {} 0 388 {18.HA2} 3.90630 0.02485 0.04079 ++ {0.0} {} {19.HN} 8.21085 0.07289 0.11734 ++ {0.0} {} 0.0 148.1288 0 {} 0 389 {} 3.89149 0.03442 0.04575 ++ {0.0} {} {} 8.61553 0.05186 0.06463 ++ {0.0} {} 0.0 110.7086 0 {} 0 390 {3.HA} 4.17128 0.02548 0.03640 ++ {0.0} {} {4.HN} 7.46502 0.02599 0.03713 ++ {0.0} {} 0.0 57.4809 0 {} 0 391 {5.HA} 4.11672 0.01726 0.02466 ++ {0.0} {} {5.HN} 7.55418 0.03546 0.02138 ++ {0.0} {} 0.0 50.3157 0 {} 0 392 {11.HB2} 3.52271 0.03645 0.04846 ++ {0.0} {} {11.HA} 4.54180 0.02955 0.04406 ++ {0.0} {} 0.0 138.0802 0 {} 0 393 {23.HB2} 3.11212 0.04176 0.06368 ++ {0.0} {} {23.HA} 4.56220 0.03215 0.07165 ++ {0.0} {} 0.0 296.9304 0 {} 0 394 {14.HB2} 2.83774 0.05524 0.06679 ++ {0.0} {} {14.HA} 4.55994 0.03778 0.06531 ++ {0.0} {} 0.0 163.5637 0 {} 0 395 {21.HB1} 3.16429 0.02183 0.02541 ++ {0.0} {} {21.HA} 4.57453 0.05286 0.06093 ++ {0.0} {} 0.0 84.8671 0 {} 0 396 {} 3.06485 0.02735 0.03450 ++ {0.0} {} {} 4.69859 0.04366 0.06495 ++ {0.0} {} 0.0 95.7366 0 {} 0 397 {7.HE1} 2.98930 0.01284 0.01834 ++ {0.0} {} {7.HD1} 1.62586 0.03105 0.04436 ++ {0.0} {} 0.0 44.3069 0 {} 0 398 {7.HE1} 2.98332 0.01262 0.01803 ++ {0.0} {} {7.HG1} 1.46335 0.02197 0.03139 ++ {0.0} {} 0.0 38.4231 0 {} 0 399 {} 3.06437 0.01243 0.01775 ++ {0.0} {} {} 1.63038 0.02493 0.03561 ++ {0.0} {} 0.0 37.5322 0 {} 0 400 {15.HB2} 3.30372 0.01924 0.02748 ++ {0.0} {} {16.HG11} 1.05784 0.02486 0.03552 ++ {0.0} {} 0.0 34.5669 0 {} 0 401 {7.HD2} 1.73583 0.04262 0.04115 ++ {0.0} {} {7.HA} 4.20253 0.04394 0.04142 ++ {0.0} {} 0.0 42.5499 0 {} 0 402 {7.HD1} 1.62822 0.03432 0.04903 ++ {0.0} {} {7.HA} 4.19658 0.04034 0.03273 ++ {0.0} {} 0.0 37.8508 0 {} 0 403 {7.HG1} 1.47463 0.02667 0.03810 ++ {0.0} {} {7.HA} 4.20141 0.04440 0.02879 ++ {0.0} {} 0.0 33.2867 0 {} 0 404 {} 1.64874 0.03525 0.05036 ++ {0.0} {} {} 3.06037 0.03581 0.02498 ++ {0.0} {} 0.0 34.5481 -1 {} 0 405 {} 0.98241 0.01930 0.02757 ++ {0.0} {} {} 3.06150 0.04200 0.03838 ++ {0.0} {} 0.0 41.4224 -1 {} 0 406 {7.HD1} 1.62771 0.04536 0.04148 ++ {0.0} {} {7.HB1} 1.95420 0.04578 0.03725 ++ {0.0} {} 0.0 37.9263 0 {} 0 407 {11.HD2} 7.14299 0.01487 0.02313 ++ {0.0} {} {11.HB2} 3.52419 0.05739 0.08281 ++ {0.0} {} 0.0 118.1410 0 {} 0 408 {11.HD2} 7.14228 0.01551 0.02047 ++ {0.0} {} {11.HB1} 3.39630 0.03504 0.06904 ++ {0.0} {} 0.0 75.0311 0 {} 0 409 {11.HD2} 7.14436 0.01513 0.01748 ++ {0.0} {} {12.HA} 3.84355 0.09594 0.10862 ++ {0.0} {} 0.0 56.0802 0 {} 0 410 {11.HD2} 7.14329 0.00796 0.01702 ++ {0.0} {} {11.HA} 4.54224 0.03709 0.05288 ++ {0.0} {} 0.0 37.5035 0 {} 0 411 {11.HD2} 7.14335 0.01580 0.03088 ++ {0.0} {} {12.HG21} 1.08467 0.05418 0.07639 ++ {0.0} {} 0.0 111.0186 0 {} 0 412 {11.HD2} 7.13925 0.01756 0.02962 ++ {0.0} {} {12.HG11} 1.00093 0.08965 0.06904 ++ {0.0} {} 0.0 52.2806 0 {} 0 413 {} 7.14284 0.01639 0.01508 ++ {0.0} {} {} 0.92594 0.03351 0.03027 ++ {0.0} {} 0.0 41.0304 -1 {} 0 414 {14.HD21} 7.45645 0.00688 0.01542 ++ {0.0} {} {15.HB2} 3.31193 0.01928 0.03068 ++ {0.0} {} 0.0 15.5662 0 {} 0 415 {14.HD22} 6.73265 0.02170 0.02300 ++ {0.0} {} {14.HA} 4.55342 0.04522 0.04953 ++ {0.0} {} 0.0 25.3384 0 {} 0 416 {11.HE2} 8.48858 0.01567 0.01823 ++ {0.0} {} {11.HD2} 7.13725 0.03057 0.03599 ++ {0.0} {} 0.0 22.3999 0 {} 0 417 {21.HD1} 7.21034 0.01784 0.02817 ++ {0.0} {} {21.HE1} 8.51892 0.05816 0.07304 ++ {0.0} {} 0.0 44.4904 0 {} 0 418 {21.HD1} 7.21106 0.02152 0.02678 ++ {0.0} {} {20.HB2} 3.89804 0.06524 0.08833 ++ {0.0} {} 0.0 91.9103 0 {} 0 419 {21.HD2} 7.21970 0.02789 0.04057 ++ {0.0} {} {21.HB2} 3.29569 0.04026 0.08026 ++ {0.0} {} 0.0 208.8458 0 {} 0 420 {21.HD2} 7.21619 0.04084 0.04247 ++ {0.0} {} {21.HB1} 3.18082 0.06304 0.04749 ++ {0.0} {} 0.0 443.4346 0 {} 0 421 {21.HD1} 7.22029 0.04084 0.06040 ++ {0.0} {} {19.HB2} 3.09950 0.06304 0.15332 ++ {0.0} {} 0.0 443.4346 0 {} 0 422 {21.HD1} 7.21761 0.02295 0.02027 ++ {0.0} {} {19.HB1} 2.90534 0.03964 0.03542 ++ {0.0} {} 0.0 40.6615 0 {} 0 423 {21.HD1} 7.20322 0.02355 0.02997 ++ {0.0} {} {22.HG21} 0.82607 0.04928 0.07041 ++ {0.0} {} 0.0 77.8842 0 {} 0 424 {21.HD1} 7.21597 0.02226 0.01893 ++ {0.0} {} {22.HG11} 0.57839 0.04605 0.02866 ++ {0.0} {} 0.0 32.6562 0 {} 0 425 {10.HD2} 7.21904 0.01523 0.02176 ++ {0.0} {} {8.HG11} 0.91096 0.03790 0.02482 ++ {0.0} {} 0.0 81.6581 0 {} 0 426 {10.HD2} 7.22271 0.01828 0.02612 ++ {0.0} {} {12.HG21} 1.05836 0.03918 0.03376 ++ {0.0} {} 0.0 96.4935 0 {} 0 427 {10.HD2} 7.22039 0.03597 0.04293 ++ {0.0} {} {10.HA} 4.42024 0.03475 0.05092 ++ {0.0} {} 0.0 187.1096 0 {} 0 428 {21.HD1} 7.21880 0.02545 0.02885 ++ {0.0} {} {21.HA} 4.56352 0.03931 0.04823 ++ {0.0} {} 0.0 139.4501 0 {} 0 429 {17.HD2} 7.31772 0.01250 0.01274 ++ {0.0} {} {17.HE2} 8.51847 0.02787 0.02835 ++ {0.0} {} 0.0 36.6225 0 {} 0 430 {19.HD2} 7.16381 0.01625 0.02321 ++ {0.0} {} {19.HB1} 2.89428 0.03070 0.04386 ++ {0.0} {} 0.0 77.0842 0 {} 0 431 {19.HD2} 7.16321 0.02101 0.02029 ++ {0.0} {} {19.HB2} 3.07351 0.04547 0.04283 ++ {0.0} {} 0.0 83.0342 0 {} 0 432 {19.HD1} 7.16416 0.02019 0.02558 ++ {0.0} {} {19.HA} 4.41454 0.04361 0.05796 ++ {0.0} {} 0.0 121.6609 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 . . 6009.615 ppm . . . 2760.41 . . 30396 4 2 . . H 1 CA . . 6009.595 ppm . . . 2760.41 . . 30396 4 stop_ save_