data_34028 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34028 _Entry.Title ; Specific-DNA binding activity of the cross-brace zinc finger motif of the piggyBac transposase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-30 _Entry.Accession_date 2016-07-30 _Entry.Last_release_date 2017-06-19 _Entry.Original_release_date 2017-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. Morellet N. . . . 34028 2 J. Taylor J. A. . . 34028 3 S. Wieninger S. . . . 34028 4 S. Moriau S. . . . 34028 5 X. Li X. . . . 34028 6 E. Lescop E. . . . 34028 7 N. Mathy N. . . . 34028 8 J. Bischerour J. . . . 34028 9 M. Betermier M. . . . 34028 10 B. Bardiaux B. . . . 34028 11 M. Nilges M. . . . 34028 12 N. Craig N. L. . . 34028 13 A. Hickman A. B. . . 34028 14 F. Dyda F. . . . 34028 15 E. Guittet E. . . . 34028 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID transcription . 34028 'transposase piggyBac DNA-binding zinc-finger' . 34028 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34028 spectral_peak_list 1 34028 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 303 34028 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-08-27 2016-07-30 update BMRB 'update entry citation' 34028 1 . . 2017-12-13 2016-07-30 original author 'original release' 34028 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LME 'BMRB Entry Tracking System' 34028 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34028 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29385532 _Citation.Full_citation . _Citation.Title ; Sequence-specific DNA binding activity of the cross-brace zinc finger motif of the piggyBac transposase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 46 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2660 _Citation.Page_last 2677 _Citation.Year 2018 _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 Nelly Morellet N. . . . 34028 1 2 Xianghong Li X. . . . 34028 1 3 Silke Wieninger S. A. . . 34028 1 4 Jennifer Taylor J. L. . . 34028 1 5 Julien Bischerour J. . . . 34028 1 6 Severine Moriau S. . . . 34028 1 7 Ewen Lescop E. . . . 34028 1 8 Benjamin Bardiaux B. . . . 34028 1 9 Nathalie Mathy N. . . . 34028 1 10 Nadine Assrir N. . . . 34028 1 11 Mireille Betermier M. . . . 34028 1 12 Michael Nilges M. . . . 34028 1 13 Alison Hickman A. B. . . 34028 1 14 Fred Dyda F. . . . 34028 1 15 Nancy Craig N. L. . . 34028 1 16 Eric Guittet E. . . . 34028 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34028 _Assembly.ID 1 _Assembly.Name 'Putative uncharacterized protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34028 1 2 'entity_2, 1' 2 $entity_ZN B A no . . . . . . 34028 1 3 'entity_2, 2' 2 $entity_ZN C A no . . . . . . 34028 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34028 _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 ; VMKKRTYCTYCPSKIRRKAN ASCKKCKKVICREHNIDMCQ SCF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5117.271 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'C-terminal cystein-rich domain of the piggyBac transposase' _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 . 34028 1 2 . MET . 34028 1 3 . LYS . 34028 1 4 . LYS . 34028 1 5 . ARG . 34028 1 6 . THR . 34028 1 7 . TYR . 34028 1 8 . CYS . 34028 1 9 . THR . 34028 1 10 . TYR . 34028 1 11 . CYS . 34028 1 12 . PRO . 34028 1 13 . SER . 34028 1 14 . LYS . 34028 1 15 . ILE . 34028 1 16 . ARG . 34028 1 17 . ARG . 34028 1 18 . LYS . 34028 1 19 . ALA . 34028 1 20 . ASN . 34028 1 21 . ALA . 34028 1 22 . SER . 34028 1 23 . CYS . 34028 1 24 . LYS . 34028 1 25 . LYS . 34028 1 26 . CYS . 34028 1 27 . LYS . 34028 1 28 . LYS . 34028 1 29 . VAL . 34028 1 30 . ILE . 34028 1 31 . CYS . 34028 1 32 . ARG . 34028 1 33 . GLU . 34028 1 34 . HIS . 34028 1 35 . ASN . 34028 1 36 . ILE . 34028 1 37 . ASP . 34028 1 38 . MET . 34028 1 39 . CYS . 34028 1 40 . GLN . 34028 1 41 . SER . 34028 1 42 . CYS . 34028 1 43 . PHE . 34028 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 34028 1 . MET 2 2 34028 1 . LYS 3 3 34028 1 . LYS 4 4 34028 1 . ARG 5 5 34028 1 . THR 6 6 34028 1 . TYR 7 7 34028 1 . CYS 8 8 34028 1 . THR 9 9 34028 1 . TYR 10 10 34028 1 . CYS 11 11 34028 1 . PRO 12 12 34028 1 . SER 13 13 34028 1 . LYS 14 14 34028 1 . ILE 15 15 34028 1 . ARG 16 16 34028 1 . ARG 17 17 34028 1 . LYS 18 18 34028 1 . ALA 19 19 34028 1 . ASN 20 20 34028 1 . ALA 21 21 34028 1 . SER 22 22 34028 1 . CYS 23 23 34028 1 . LYS 24 24 34028 1 . LYS 25 25 34028 1 . CYS 26 26 34028 1 . LYS 27 27 34028 1 . LYS 28 28 34028 1 . VAL 29 29 34028 1 . ILE 30 30 34028 1 . CYS 31 31 34028 1 . ARG 32 32 34028 1 . GLU 33 33 34028 1 . HIS 34 34 34028 1 . ASN 35 35 34028 1 . ILE 36 36 34028 1 . ASP 37 37 34028 1 . MET 38 38 34028 1 . CYS 39 39 34028 1 . GLN 40 40 34028 1 . SER 41 41 34028 1 . CYS 42 42 34028 1 . PHE 43 43 34028 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34028 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34028 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34028 2 ZN 'Three letter code' 34028 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 34028 2 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 34028 _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 . 7111 organism . 'Trichoplusia ni' 'Cabbage looper' . . Eukaryota Metazoa Trichoplusia Ni . . . . . . . . . . . . . 34028 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 34028 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34028 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 34028 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _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 ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _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=1S/Zn/q+2 InChI InChI 1.03 34028 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34028 ZN [Zn++] SMILES CACTVS 3.341 34028 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34028 ZN [Zn+2] SMILES ACDLabs 10.04 34028 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34028 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34028 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 34028 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34028 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34028 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34028 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM C-ter piggyBac, 1500 uM ZnCl2, 5 mM DTT, 200 mM sodium chloride, 10 % 100% labelling D2O, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-ter piggyBac' 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 34028 1 2 D2O '100% labelling' . . . . . . 10 . . % . . . . 34028 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 34028 1 4 ZnCl2 'natural abundance' . . . . . . 1500 . . uM . . . . 34028 1 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34028 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 34028 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 34028 1 pH 6.5 0.05 pH 34028 1 pressure 1 . atm 34028 1 temperature 293 . K 34028 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34028 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 34028 2 pH 6.7 . pD 34028 2 pressure 1 . atm 34028 2 temperature 293 . K 34028 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34028 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34028 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34028 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34028 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34028 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34028 2 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 34028 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34028 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34028 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 800 . . . 34028 1 2 NMR_spectrometer_2 Bruker AvanceII . 950 . . . 34028 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 34028 _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 TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34028 1 2 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34028 1 3 '2D DOSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34028 1 4 '2D HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34028 1 5 '2D HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34028 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 34028 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 34028 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 34028 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D NOESY' . . . 34028 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 34028 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 3.630 0.002 . . . . . . A 1 VAL HA . 34028 1 2 . 1 1 1 1 VAL HB H 1 2.011 0.002 . . . . . . A 1 VAL HB . 34028 1 3 . 1 1 1 1 VAL HG11 H 1 0.825 0.008 . . . . . . A 1 VAL HG11 . 34028 1 4 . 1 1 1 1 VAL HG12 H 1 0.825 0.008 . . . . . . A 1 VAL HG12 . 34028 1 5 . 1 1 1 1 VAL HG13 H 1 0.825 0.008 . . . . . . A 1 VAL HG13 . 34028 1 6 . 1 1 1 1 VAL HG21 H 1 0.827 0.007 . . . . . . A 1 VAL HG21 . 34028 1 7 . 1 1 1 1 VAL HG22 H 1 0.827 0.007 . . . . . . A 1 VAL HG22 . 34028 1 8 . 1 1 1 1 VAL HG23 H 1 0.827 0.007 . . . . . . A 1 VAL HG23 . 34028 1 9 . 1 1 2 2 MET H H 1 8.071 0.000 . . . . . . A 2 MET H . 34028 1 10 . 1 1 2 2 MET HA H 1 4.341 0.000 . . . . . . A 2 MET HA . 34028 1 11 . 1 1 2 2 MET HB2 H 1 1.873 0.001 . . . . . . A 2 MET HB2 . 34028 1 12 . 1 1 2 2 MET HB3 H 1 1.858 0.000 . . . . . . A 2 MET HB3 . 34028 1 13 . 1 1 2 2 MET HG2 H 1 2.405 0.000 . . . . . . A 2 MET HG2 . 34028 1 14 . 1 1 2 2 MET HG3 H 1 2.405 0.000 . . . . . . A 2 MET HG3 . 34028 1 15 . 1 1 3 3 LYS H H 1 8.416 0.001 . . . . . . A 3 LYS H . 34028 1 16 . 1 1 3 3 LYS HA H 1 4.111 0.001 . . . . . . A 3 LYS HA . 34028 1 17 . 1 1 3 3 LYS HB2 H 1 1.732 0.001 . . . . . . A 3 LYS HB2 . 34028 1 18 . 1 1 3 3 LYS HB3 H 1 1.732 0.001 . . . . . . A 3 LYS HB3 . 34028 1 19 . 1 1 3 3 LYS HG2 H 1 1.245 0.000 . . . . . . A 3 LYS HG2 . 34028 1 20 . 1 1 3 3 LYS HG3 H 1 1.293 0.000 . . . . . . A 3 LYS HG3 . 34028 1 21 . 1 1 3 3 LYS HD2 H 1 1.617 0.004 . . . . . . A 3 LYS HD2 . 34028 1 22 . 1 1 3 3 LYS HD3 H 1 1.566 0.001 . . . . . . A 3 LYS HD3 . 34028 1 23 . 1 1 3 3 LYS HE3 H 1 2.809 0.002 . . . . . . A 3 LYS HE3 . 34028 1 24 . 1 1 4 4 LYS H H 1 8.261 0.000 . . . . . . A 4 LYS H . 34028 1 25 . 1 1 4 4 LYS HA H 1 4.085 0.001 . . . . . . A 4 LYS HA . 34028 1 26 . 1 1 4 4 LYS HB2 H 1 1.560 0.000 . . . . . . A 4 LYS HB2 . 34028 1 27 . 1 1 4 4 LYS HB3 H 1 1.560 0.000 . . . . . . A 4 LYS HB3 . 34028 1 28 . 1 1 4 4 LYS HG2 H 1 1.267 0.000 . . . . . . A 4 LYS HG2 . 34028 1 29 . 1 1 4 4 LYS HG3 H 1 1.216 0.000 . . . . . . A 4 LYS HG3 . 34028 1 30 . 1 1 4 4 LYS HD2 H 1 1.620 0.000 . . . . . . A 4 LYS HD2 . 34028 1 31 . 1 1 4 4 LYS HD3 H 1 1.620 0.000 . . . . . . A 4 LYS HD3 . 34028 1 32 . 1 1 4 4 LYS HE3 H 1 2.813 0.000 . . . . . . A 4 LYS HE3 . 34028 1 33 . 1 1 5 5 ARG H H 1 8.352 0.000 . . . . . . A 5 ARG H . 34028 1 34 . 1 1 5 5 ARG HA H 1 4.122 0.001 . . . . . . A 5 ARG HA . 34028 1 35 . 1 1 5 5 ARG HB2 H 1 1.550 0.001 . . . . . . A 5 ARG HB2 . 34028 1 36 . 1 1 5 5 ARG HB3 H 1 1.648 0.001 . . . . . . A 5 ARG HB3 . 34028 1 37 . 1 1 5 5 ARG HG2 H 1 1.416 0.001 . . . . . . A 5 ARG HG2 . 34028 1 38 . 1 1 5 5 ARG HG3 H 1 1.470 0.001 . . . . . . A 5 ARG HG3 . 34028 1 39 . 1 1 5 5 ARG HD2 H 1 3.022 0.001 . . . . . . A 5 ARG HD2 . 34028 1 40 . 1 1 5 5 ARG HD3 H 1 3.022 0.001 . . . . . . A 5 ARG HD3 . 34028 1 41 . 1 1 6 6 THR H H 1 7.954 0.001 . . . . . . A 6 THR H . 34028 1 42 . 1 1 6 6 THR HA H 1 3.987 0.001 . . . . . . A 6 THR HA . 34028 1 43 . 1 1 6 6 THR HB H 1 3.707 0.002 . . . . . . A 6 THR HB . 34028 1 44 . 1 1 6 6 THR HG21 H 1 0.752 0.001 . . . . . . A 6 THR HG21 . 34028 1 45 . 1 1 6 6 THR HG22 H 1 0.752 0.001 . . . . . . A 6 THR HG22 . 34028 1 46 . 1 1 6 6 THR HG23 H 1 0.752 0.001 . . . . . . A 6 THR HG23 . 34028 1 47 . 1 1 7 7 TYR H H 1 7.887 0.001 . . . . . . A 7 TYR H . 34028 1 48 . 1 1 7 7 TYR HA H 1 4.803 0.001 . . . . . . A 7 TYR HA . 34028 1 49 . 1 1 7 7 TYR HB2 H 1 2.436 0.001 . . . . . . A 7 TYR HB2 . 34028 1 50 . 1 1 7 7 TYR HB3 H 1 2.850 0.001 . . . . . . A 7 TYR HB3 . 34028 1 51 . 1 1 7 7 TYR HD1 H 1 6.700 0.001 . . . . . . A 7 TYR HD1 . 34028 1 52 . 1 1 7 7 TYR HD2 H 1 6.700 0.001 . . . . . . A 7 TYR HD2 . 34028 1 53 . 1 1 7 7 TYR HE1 H 1 6.518 0.001 . . . . . . A 7 TYR HE1 . 34028 1 54 . 1 1 7 7 TYR HE2 H 1 6.518 0.001 . . . . . . A 7 TYR HE2 . 34028 1 55 . 1 1 8 8 CYS H H 1 8.337 0.000 . . . . . . A 8 CYS H . 34028 1 56 . 1 1 8 8 CYS HA H 1 3.623 0.001 . . . . . . A 8 CYS HA . 34028 1 57 . 1 1 8 8 CYS HB2 H 1 2.906 0.002 . . . . . . A 8 CYS HB2 . 34028 1 58 . 1 1 8 8 CYS HB3 H 1 2.774 0.001 . . . . . . A 8 CYS HB3 . 34028 1 59 . 1 1 9 9 THR H H 1 8.229 0.001 . . . . . . A 9 THR H . 34028 1 60 . 1 1 9 9 THR HA H 1 3.713 0.001 . . . . . . A 9 THR HA . 34028 1 61 . 1 1 9 9 THR HB H 1 3.469 0.001 . . . . . . A 9 THR HB . 34028 1 62 . 1 1 9 9 THR HG21 H 1 0.660 0.001 . . . . . . A 9 THR HG21 . 34028 1 63 . 1 1 9 9 THR HG22 H 1 0.660 0.001 . . . . . . A 9 THR HG22 . 34028 1 64 . 1 1 9 9 THR HG23 H 1 0.660 0.001 . . . . . . A 9 THR HG23 . 34028 1 65 . 1 1 10 10 TYR H H 1 8.677 0.001 . . . . . . A 10 TYR H . 34028 1 66 . 1 1 10 10 TYR HA H 1 4.162 0.000 . . . . . . A 10 TYR HA . 34028 1 67 . 1 1 10 10 TYR HB2 H 1 1.183 0.001 . . . . . . A 10 TYR HB2 . 34028 1 68 . 1 1 10 10 TYR HB3 H 1 2.244 0.001 . . . . . . A 10 TYR HB3 . 34028 1 69 . 1 1 10 10 TYR HD1 H 1 6.882 0.002 . . . . . . A 10 TYR HD1 . 34028 1 70 . 1 1 10 10 TYR HD2 H 1 6.882 0.002 . . . . . . A 10 TYR HD2 . 34028 1 71 . 1 1 10 10 TYR HE1 H 1 6.639 0.001 . . . . . . A 10 TYR HE1 . 34028 1 72 . 1 1 10 10 TYR HE2 H 1 6.639 0.001 . . . . . . A 10 TYR HE2 . 34028 1 73 . 1 1 11 11 CYS H H 1 7.003 0.001 . . . . . . A 11 CYS H . 34028 1 74 . 1 1 11 11 CYS HA H 1 4.317 0.000 . . . . . . A 11 CYS HA . 34028 1 75 . 1 1 11 11 CYS HB2 H 1 2.546 0.000 . . . . . . A 11 CYS HB2 . 34028 1 76 . 1 1 11 11 CYS HB3 H 1 2.807 0.001 . . . . . . A 11 CYS HB3 . 34028 1 77 . 1 1 12 12 PRO HA H 1 4.329 0.001 . . . . . . A 12 PRO HA . 34028 1 78 . 1 1 12 12 PRO HB2 H 1 1.776 0.000 . . . . . . A 12 PRO HB2 . 34028 1 79 . 1 1 12 12 PRO HB3 H 1 2.302 0.001 . . . . . . A 12 PRO HB3 . 34028 1 80 . 1 1 12 12 PRO HG2 H 1 2.028 0.001 . . . . . . A 12 PRO HG2 . 34028 1 81 . 1 1 12 12 PRO HG3 H 1 2.035 0.001 . . . . . . A 12 PRO HG3 . 34028 1 82 . 1 1 12 12 PRO HD2 H 1 3.481 0.001 . . . . . . A 12 PRO HD2 . 34028 1 83 . 1 1 12 12 PRO HD3 H 1 3.880 0.001 . . . . . . A 12 PRO HD3 . 34028 1 84 . 1 1 13 13 SER H H 1 8.863 0.001 . . . . . . A 13 SER H . 34028 1 85 . 1 1 13 13 SER HA H 1 3.795 0.002 . . . . . . A 13 SER HA . 34028 1 86 . 1 1 13 13 SER HB2 H 1 3.688 0.001 . . . . . . A 13 SER HB2 . 34028 1 87 . 1 1 13 13 SER HB3 H 1 3.737 0.000 . . . . . . A 13 SER HB3 . 34028 1 88 . 1 1 14 14 LYS H H 1 8.246 0.001 . . . . . . A 14 LYS H . 34028 1 89 . 1 1 14 14 LYS HA H 1 3.908 0.001 . . . . . . A 14 LYS HA . 34028 1 90 . 1 1 14 14 LYS HB2 H 1 1.485 0.001 . . . . . . A 14 LYS HB2 . 34028 1 91 . 1 1 14 14 LYS HB3 H 1 1.715 0.001 . . . . . . A 14 LYS HB3 . 34028 1 92 . 1 1 14 14 LYS HG2 H 1 1.189 0.001 . . . . . . A 14 LYS HG2 . 34028 1 93 . 1 1 14 14 LYS HG3 H 1 1.189 0.001 . . . . . . A 14 LYS HG3 . 34028 1 94 . 1 1 14 14 LYS HD2 H 1 1.593 0.000 . . . . . . A 14 LYS HD2 . 34028 1 95 . 1 1 14 14 LYS HD3 H 1 1.593 0.000 . . . . . . A 14 LYS HD3 . 34028 1 96 . 1 1 14 14 LYS HE2 H 1 2.783 0.000 . . . . . . A 14 LYS HE2 . 34028 1 97 . 1 1 14 14 LYS HE3 H 1 2.802 0.000 . . . . . . A 14 LYS HE3 . 34028 1 98 . 1 1 15 15 ILE H H 1 6.952 0.001 . . . . . . A 15 ILE H . 34028 1 99 . 1 1 15 15 ILE HA H 1 4.148 0.001 . . . . . . A 15 ILE HA . 34028 1 100 . 1 1 15 15 ILE HB H 1 1.944 0.001 . . . . . . A 15 ILE HB . 34028 1 101 . 1 1 15 15 ILE HG12 H 1 1.169 0.001 . . . . . . A 15 ILE HG12 . 34028 1 102 . 1 1 15 15 ILE HG13 H 1 1.303 0.000 . . . . . . A 15 ILE HG13 . 34028 1 103 . 1 1 15 15 ILE HG21 H 1 0.874 0.001 . . . . . . A 15 ILE HG21 . 34028 1 104 . 1 1 15 15 ILE HG22 H 1 0.874 0.001 . . . . . . A 15 ILE HG22 . 34028 1 105 . 1 1 15 15 ILE HG23 H 1 0.874 0.001 . . . . . . A 15 ILE HG23 . 34028 1 106 . 1 1 15 15 ILE HD11 H 1 0.772 0.001 . . . . . . A 15 ILE HD11 . 34028 1 107 . 1 1 15 15 ILE HD12 H 1 0.772 0.001 . . . . . . A 15 ILE HD12 . 34028 1 108 . 1 1 15 15 ILE HD13 H 1 0.772 0.001 . . . . . . A 15 ILE HD13 . 34028 1 109 . 1 1 16 16 ARG H H 1 7.447 0.001 . . . . . . A 16 ARG H . 34028 1 110 . 1 1 16 16 ARG HA H 1 3.013 0.001 . . . . . . A 16 ARG HA . 34028 1 111 . 1 1 16 16 ARG HB2 H 1 1.228 0.001 . . . . . . A 16 ARG HB2 . 34028 1 112 . 1 1 16 16 ARG HB3 H 1 1.300 0.001 . . . . . . A 16 ARG HB3 . 34028 1 113 . 1 1 16 16 ARG HG2 H 1 1.022 0.003 . . . . . . A 16 ARG HG2 . 34028 1 114 . 1 1 16 16 ARG HG3 H 1 1.024 0.002 . . . . . . A 16 ARG HG3 . 34028 1 115 . 1 1 16 16 ARG HD2 H 1 2.755 0.000 . . . . . . A 16 ARG HD2 . 34028 1 116 . 1 1 16 16 ARG HD3 H 1 2.809 0.001 . . . . . . A 16 ARG HD3 . 34028 1 117 . 1 1 17 17 ARG H H 1 8.722 0.000 . . . . . . A 17 ARG H . 34028 1 118 . 1 1 17 17 ARG HA H 1 4.291 0.001 . . . . . . A 17 ARG HA . 34028 1 119 . 1 1 17 17 ARG HB2 H 1 1.912 0.001 . . . . . . A 17 ARG HB2 . 34028 1 120 . 1 1 17 17 ARG HB3 H 1 2.075 0.002 . . . . . . A 17 ARG HB3 . 34028 1 121 . 1 1 17 17 ARG HG2 H 1 1.476 0.002 . . . . . . A 17 ARG HG2 . 34028 1 122 . 1 1 17 17 ARG HG3 H 1 1.563 0.001 . . . . . . A 17 ARG HG3 . 34028 1 123 . 1 1 17 17 ARG HD2 H 1 3.186 0.001 . . . . . . A 17 ARG HD2 . 34028 1 124 . 1 1 17 17 ARG HD3 H 1 3.536 0.001 . . . . . . A 17 ARG HD3 . 34028 1 125 . 1 1 18 18 LYS H H 1 8.702 0.000 . . . . . . A 18 LYS H . 34028 1 126 . 1 1 18 18 LYS HA H 1 4.043 0.001 . . . . . . A 18 LYS HA . 34028 1 127 . 1 1 18 18 LYS HB2 H 1 1.619 0.000 . . . . . . A 18 LYS HB2 . 34028 1 128 . 1 1 18 18 LYS HB3 H 1 1.619 0.000 . . . . . . A 18 LYS HB3 . 34028 1 129 . 1 1 18 18 LYS HG2 H 1 1.158 0.001 . . . . . . A 18 LYS HG2 . 34028 1 130 . 1 1 18 18 LYS HG3 H 1 1.158 0.001 . . . . . . A 18 LYS HG3 . 34028 1 131 . 1 1 18 18 LYS HD2 H 1 1.479 0.001 . . . . . . A 18 LYS HD2 . 34028 1 132 . 1 1 18 18 LYS HD3 H 1 1.479 0.001 . . . . . . A 18 LYS HD3 . 34028 1 133 . 1 1 18 18 LYS HE2 H 1 2.850 0.001 . . . . . . A 18 LYS HE2 . 34028 1 134 . 1 1 18 18 LYS HE3 H 1 2.850 0.001 . . . . . . A 18 LYS HE3 . 34028 1 135 . 1 1 19 19 ALA H H 1 8.150 0.000 . . . . . . A 19 ALA H . 34028 1 136 . 1 1 19 19 ALA HA H 1 3.928 0.000 . . . . . . A 19 ALA HA . 34028 1 137 . 1 1 19 19 ALA HB1 H 1 1.007 0.001 . . . . . . A 19 ALA HB1 . 34028 1 138 . 1 1 19 19 ALA HB2 H 1 1.007 0.001 . . . . . . A 19 ALA HB2 . 34028 1 139 . 1 1 19 19 ALA HB3 H 1 1.007 0.001 . . . . . . A 19 ALA HB3 . 34028 1 140 . 1 1 20 20 ASN H H 1 8.411 0.000 . . . . . . A 20 ASN H . 34028 1 141 . 1 1 20 20 ASN HA H 1 4.700 0.001 . . . . . . A 20 ASN HA . 34028 1 142 . 1 1 20 20 ASN HB2 H 1 2.532 0.001 . . . . . . A 20 ASN HB2 . 34028 1 143 . 1 1 20 20 ASN HB3 H 1 2.771 0.001 . . . . . . A 20 ASN HB3 . 34028 1 144 . 1 1 20 20 ASN HD21 H 1 7.412 0.001 . . . . . . A 20 ASN HD21 . 34028 1 145 . 1 1 20 20 ASN HD22 H 1 6.280 0.001 . . . . . . A 20 ASN HD22 . 34028 1 146 . 1 1 21 21 ALA H H 1 7.881 0.002 . . . . . . A 21 ALA H . 34028 1 147 . 1 1 21 21 ALA HA H 1 4.410 0.000 . . . . . . A 21 ALA HA . 34028 1 148 . 1 1 21 21 ALA HB1 H 1 1.071 0.001 . . . . . . A 21 ALA HB1 . 34028 1 149 . 1 1 21 21 ALA HB2 H 1 1.071 0.001 . . . . . . A 21 ALA HB2 . 34028 1 150 . 1 1 21 21 ALA HB3 H 1 1.071 0.001 . . . . . . A 21 ALA HB3 . 34028 1 151 . 1 1 22 22 SER H H 1 8.144 0.000 . . . . . . A 22 SER H . 34028 1 152 . 1 1 22 22 SER HA H 1 4.888 0.001 . . . . . . A 22 SER HA . 34028 1 153 . 1 1 22 22 SER HB2 H 1 4.043 0.000 . . . . . . A 22 SER HB2 . 34028 1 154 . 1 1 22 22 SER HB3 H 1 3.236 0.002 . . . . . . A 22 SER HB3 . 34028 1 155 . 1 1 23 23 CYS H H 1 8.667 0.001 . . . . . . A 23 CYS H . 34028 1 156 . 1 1 23 23 CYS HA H 1 3.586 0.001 . . . . . . A 23 CYS HA . 34028 1 157 . 1 1 23 23 CYS HB2 H 1 3.348 0.001 . . . . . . A 23 CYS HB2 . 34028 1 158 . 1 1 23 23 CYS HB3 H 1 2.624 0.001 . . . . . . A 23 CYS HB3 . 34028 1 159 . 1 1 24 24 LYS H H 1 9.063 0.001 . . . . . . A 24 LYS H . 34028 1 160 . 1 1 24 24 LYS HA H 1 3.936 0.001 . . . . . . A 24 LYS HA . 34028 1 161 . 1 1 24 24 LYS HB2 H 1 1.958 0.002 . . . . . . A 24 LYS HB2 . 34028 1 162 . 1 1 24 24 LYS HB3 H 1 1.958 0.002 . . . . . . A 24 LYS HB3 . 34028 1 163 . 1 1 24 24 LYS HG2 H 1 1.441 0.001 . . . . . . A 24 LYS HG2 . 34028 1 164 . 1 1 24 24 LYS HG3 H 1 1.442 0.001 . . . . . . A 24 LYS HG3 . 34028 1 165 . 1 1 24 24 LYS HD2 H 1 1.679 0.001 . . . . . . A 24 LYS HD2 . 34028 1 166 . 1 1 24 24 LYS HD3 H 1 1.679 0.001 . . . . . . A 24 LYS HD3 . 34028 1 167 . 1 1 24 24 LYS HE2 H 1 2.732 0.000 . . . . . . A 24 LYS HE2 . 34028 1 168 . 1 1 24 24 LYS HE3 H 1 2.682 0.000 . . . . . . A 24 LYS HE3 . 34028 1 169 . 1 1 25 25 LYS H H 1 9.024 0.001 . . . . . . A 25 LYS H . 34028 1 170 . 1 1 25 25 LYS HA H 1 4.443 0.001 . . . . . . A 25 LYS HA . 34028 1 171 . 1 1 25 25 LYS HB2 H 1 1.692 0.000 . . . . . . A 25 LYS HB2 . 34028 1 172 . 1 1 25 25 LYS HB3 H 1 1.731 0.000 . . . . . . A 25 LYS HB3 . 34028 1 173 . 1 1 25 25 LYS HG2 H 1 1.343 0.001 . . . . . . A 25 LYS HG2 . 34028 1 174 . 1 1 25 25 LYS HG3 H 1 1.248 0.000 . . . . . . A 25 LYS HG3 . 34028 1 175 . 1 1 25 25 LYS HD2 H 1 1.436 0.000 . . . . . . A 25 LYS HD2 . 34028 1 176 . 1 1 25 25 LYS HD3 H 1 1.501 0.001 . . . . . . A 25 LYS HD3 . 34028 1 177 . 1 1 25 25 LYS HE2 H 1 2.373 0.001 . . . . . . A 25 LYS HE2 . 34028 1 178 . 1 1 25 25 LYS HE3 H 1 2.303 0.001 . . . . . . A 25 LYS HE3 . 34028 1 179 . 1 1 26 26 CYS H H 1 8.275 0.000 . . . . . . A 26 CYS H . 34028 1 180 . 1 1 26 26 CYS HA H 1 4.716 0.001 . . . . . . A 26 CYS HA . 34028 1 181 . 1 1 26 26 CYS HB2 H 1 3.040 0.002 . . . . . . A 26 CYS HB2 . 34028 1 182 . 1 1 26 26 CYS HB3 H 1 2.520 0.001 . . . . . . A 26 CYS HB3 . 34028 1 183 . 1 1 27 27 LYS H H 1 7.779 0.001 . . . . . . A 27 LYS H . 34028 1 184 . 1 1 27 27 LYS HA H 1 4.043 0.001 . . . . . . A 27 LYS HA . 34028 1 185 . 1 1 27 27 LYS HB2 H 1 1.860 0.000 . . . . . . A 27 LYS HB2 . 34028 1 186 . 1 1 27 27 LYS HB3 H 1 2.086 0.001 . . . . . . A 27 LYS HB3 . 34028 1 187 . 1 1 27 27 LYS HG2 H 1 1.125 0.000 . . . . . . A 27 LYS HG2 . 34028 1 188 . 1 1 27 27 LYS HG3 H 1 1.179 0.000 . . . . . . A 27 LYS HG3 . 34028 1 189 . 1 1 27 27 LYS HD2 H 1 1.612 0.000 . . . . . . A 27 LYS HD2 . 34028 1 190 . 1 1 27 27 LYS HD3 H 1 1.499 0.001 . . . . . . A 27 LYS HD3 . 34028 1 191 . 1 1 27 27 LYS HE2 H 1 2.812 0.000 . . . . . . A 27 LYS HE2 . 34028 1 192 . 1 1 27 27 LYS HE3 H 1 2.812 0.000 . . . . . . A 27 LYS HE3 . 34028 1 193 . 1 1 28 28 LYS H H 1 8.441 0.001 . . . . . . A 28 LYS H . 34028 1 194 . 1 1 28 28 LYS HA H 1 4.252 0.001 . . . . . . A 28 LYS HA . 34028 1 195 . 1 1 28 28 LYS HB2 H 1 1.737 0.010 . . . . . . A 28 LYS HB2 . 34028 1 196 . 1 1 28 28 LYS HB3 H 1 1.722 0.000 . . . . . . A 28 LYS HB3 . 34028 1 197 . 1 1 28 28 LYS HG2 H 1 1.304 0.000 . . . . . . A 28 LYS HG2 . 34028 1 198 . 1 1 28 28 LYS HG3 H 1 1.304 0.000 . . . . . . A 28 LYS HG3 . 34028 1 199 . 1 1 28 28 LYS HD2 H 1 1.612 0.001 . . . . . . A 28 LYS HD2 . 34028 1 200 . 1 1 28 28 LYS HD3 H 1 1.612 0.001 . . . . . . A 28 LYS HD3 . 34028 1 201 . 1 1 28 28 LYS HE3 H 1 2.822 0.001 . . . . . . A 28 LYS HE3 . 34028 1 202 . 1 1 29 29 VAL H H 1 7.864 0.001 . . . . . . A 29 VAL H . 34028 1 203 . 1 1 29 29 VAL HA H 1 4.600 0.001 . . . . . . A 29 VAL HA . 34028 1 204 . 1 1 29 29 VAL HB H 1 1.790 0.001 . . . . . . A 29 VAL HB . 34028 1 205 . 1 1 29 29 VAL HG11 H 1 0.710 0.001 . . . . . . A 29 VAL HG11 . 34028 1 206 . 1 1 29 29 VAL HG12 H 1 0.710 0.001 . . . . . . A 29 VAL HG12 . 34028 1 207 . 1 1 29 29 VAL HG13 H 1 0.710 0.001 . . . . . . A 29 VAL HG13 . 34028 1 208 . 1 1 29 29 VAL HG21 H 1 0.709 0.000 . . . . . . A 29 VAL HG21 . 34028 1 209 . 1 1 29 29 VAL HG22 H 1 0.709 0.000 . . . . . . A 29 VAL HG22 . 34028 1 210 . 1 1 29 29 VAL HG23 H 1 0.709 0.000 . . . . . . A 29 VAL HG23 . 34028 1 211 . 1 1 30 30 ILE H H 1 8.556 0.001 . . . . . . A 30 ILE H . 34028 1 212 . 1 1 30 30 ILE HA H 1 5.823 0.002 . . . . . . A 30 ILE HA . 34028 1 213 . 1 1 30 30 ILE HB H 1 1.988 0.001 . . . . . . A 30 ILE HB . 34028 1 214 . 1 1 30 30 ILE HG12 H 1 1.164 0.001 . . . . . . A 30 ILE HG12 . 34028 1 215 . 1 1 30 30 ILE HG13 H 1 0.818 0.001 . . . . . . A 30 ILE HG13 . 34028 1 216 . 1 1 30 30 ILE HG21 H 1 0.977 0.001 . . . . . . A 30 ILE HG21 . 34028 1 217 . 1 1 30 30 ILE HG22 H 1 0.977 0.001 . . . . . . A 30 ILE HG22 . 34028 1 218 . 1 1 30 30 ILE HG23 H 1 0.977 0.001 . . . . . . A 30 ILE HG23 . 34028 1 219 . 1 1 30 30 ILE HD11 H 1 0.388 0.001 . . . . . . A 30 ILE HD11 . 34028 1 220 . 1 1 30 30 ILE HD12 H 1 0.388 0.001 . . . . . . A 30 ILE HD12 . 34028 1 221 . 1 1 30 30 ILE HD13 H 1 0.388 0.001 . . . . . . A 30 ILE HD13 . 34028 1 222 . 1 1 31 31 CYS H H 1 8.897 0.001 . . . . . . A 31 CYS H . 34028 1 223 . 1 1 31 31 CYS HA H 1 4.835 0.001 . . . . . . A 31 CYS HA . 34028 1 224 . 1 1 31 31 CYS HB2 H 1 3.430 0.001 . . . . . . A 31 CYS HB2 . 34028 1 225 . 1 1 31 31 CYS HB3 H 1 2.649 0.001 . . . . . . A 31 CYS HB3 . 34028 1 226 . 1 1 32 32 ARG H H 1 8.216 0.000 . . . . . . A 32 ARG H . 34028 1 227 . 1 1 32 32 ARG HA H 1 4.076 0.001 . . . . . . A 32 ARG HA . 34028 1 228 . 1 1 32 32 ARG HB2 H 1 1.735 0.001 . . . . . . A 32 ARG HB2 . 34028 1 229 . 1 1 32 32 ARG HB3 H 1 1.685 0.001 . . . . . . A 32 ARG HB3 . 34028 1 230 . 1 1 32 32 ARG HG2 H 1 1.577 0.001 . . . . . . A 32 ARG HG2 . 34028 1 231 . 1 1 32 32 ARG HG3 H 1 1.577 0.001 . . . . . . A 32 ARG HG3 . 34028 1 232 . 1 1 32 32 ARG HD2 H 1 3.069 0.001 . . . . . . A 32 ARG HD2 . 34028 1 233 . 1 1 32 32 ARG HD3 H 1 3.069 0.001 . . . . . . A 32 ARG HD3 . 34028 1 234 . 1 1 32 32 ARG HE H 1 7.140 0.000 . . . . . . A 32 ARG HE . 34028 1 235 . 1 1 33 33 GLU H H 1 8.105 0.001 . . . . . . A 33 GLU H . 34028 1 236 . 1 1 33 33 GLU HA H 1 3.781 0.001 . . . . . . A 33 GLU HA . 34028 1 237 . 1 1 33 33 GLU HB2 H 1 1.609 0.000 . . . . . . A 33 GLU HB2 . 34028 1 238 . 1 1 33 33 GLU HB3 H 1 1.407 0.001 . . . . . . A 33 GLU HB3 . 34028 1 239 . 1 1 33 33 GLU HG2 H 1 1.905 0.000 . . . . . . A 33 GLU HG2 . 34028 1 240 . 1 1 33 33 GLU HG3 H 1 1.905 0.000 . . . . . . A 33 GLU HG3 . 34028 1 241 . 1 1 34 34 HIS H H 1 7.765 0.001 . . . . . . A 34 HIS H . 34028 1 242 . 1 1 34 34 HIS HA H 1 4.349 0.001 . . . . . . A 34 HIS HA . 34028 1 243 . 1 1 34 34 HIS HB2 H 1 2.970 0.001 . . . . . . A 34 HIS HB2 . 34028 1 244 . 1 1 34 34 HIS HB3 H 1 3.376 0.000 . . . . . . A 34 HIS HB3 . 34028 1 245 . 1 1 34 34 HIS HD2 H 1 7.069 0.000 . . . . . . A 34 HIS HD2 . 34028 1 246 . 1 1 34 34 HIS HE1 H 1 7.958 0.001 . . . . . . A 34 HIS HE1 . 34028 1 247 . 1 1 35 35 ASN H H 1 6.901 0.001 . . . . . . A 35 ASN H . 34028 1 248 . 1 1 35 35 ASN HB2 H 1 3.096 0.001 . . . . . . A 35 ASN HB2 . 34028 1 249 . 1 1 35 35 ASN HB3 H 1 2.399 0.001 . . . . . . A 35 ASN HB3 . 34028 1 250 . 1 1 35 35 ASN HD21 H 1 6.828 0.004 . . . . . . A 35 ASN HD21 . 34028 1 251 . 1 1 35 35 ASN HD22 H 1 7.502 0.006 . . . . . . A 35 ASN HD22 . 34028 1 252 . 1 1 36 36 ILE H H 1 9.251 0.001 . . . . . . A 36 ILE H . 34028 1 253 . 1 1 36 36 ILE HA H 1 3.768 0.004 . . . . . . A 36 ILE HA . 34028 1 254 . 1 1 36 36 ILE HB H 1 1.440 0.002 . . . . . . A 36 ILE HB . 34028 1 255 . 1 1 36 36 ILE HG12 H 1 1.027 0.001 . . . . . . A 36 ILE HG12 . 34028 1 256 . 1 1 36 36 ILE HG13 H 1 0.973 0.002 . . . . . . A 36 ILE HG13 . 34028 1 257 . 1 1 36 36 ILE HG21 H 1 0.541 0.002 . . . . . . A 36 ILE HG21 . 34028 1 258 . 1 1 36 36 ILE HG22 H 1 0.541 0.002 . . . . . . A 36 ILE HG22 . 34028 1 259 . 1 1 36 36 ILE HG23 H 1 0.541 0.002 . . . . . . A 36 ILE HG23 . 34028 1 260 . 1 1 36 36 ILE HD11 H 1 0.449 0.002 . . . . . . A 36 ILE HD11 . 34028 1 261 . 1 1 36 36 ILE HD12 H 1 0.449 0.002 . . . . . . A 36 ILE HD12 . 34028 1 262 . 1 1 36 36 ILE HD13 H 1 0.449 0.002 . . . . . . A 36 ILE HD13 . 34028 1 263 . 1 1 37 37 ASP H H 1 8.063 0.001 . . . . . . A 37 ASP H . 34028 1 264 . 1 1 37 37 ASP HA H 1 5.006 0.004 . . . . . . A 37 ASP HA . 34028 1 265 . 1 1 37 37 ASP HB2 H 1 2.133 0.000 . . . . . . A 37 ASP HB2 . 34028 1 266 . 1 1 37 37 ASP HB3 H 1 2.657 0.001 . . . . . . A 37 ASP HB3 . 34028 1 267 . 1 1 38 38 MET H H 1 7.530 0.001 . . . . . . A 38 MET H . 34028 1 268 . 1 1 38 38 MET HA H 1 5.585 0.001 . . . . . . A 38 MET HA . 34028 1 269 . 1 1 38 38 MET HB2 H 1 1.898 0.001 . . . . . . A 38 MET HB2 . 34028 1 270 . 1 1 38 38 MET HB3 H 1 1.800 0.002 . . . . . . A 38 MET HB3 . 34028 1 271 . 1 1 38 38 MET HG2 H 1 2.549 0.001 . . . . . . A 38 MET HG2 . 34028 1 272 . 1 1 38 38 MET HG3 H 1 2.546 0.000 . . . . . . A 38 MET HG3 . 34028 1 273 . 1 1 38 38 MET HE1 H 1 2.734 0.001 . . . . . . A 38 MET HE1 . 34028 1 274 . 1 1 38 38 MET HE2 H 1 2.734 0.001 . . . . . . A 38 MET HE2 . 34028 1 275 . 1 1 38 38 MET HE3 H 1 2.734 0.001 . . . . . . A 38 MET HE3 . 34028 1 276 . 1 1 39 39 CYS H H 1 9.462 0.002 . . . . . . A 39 CYS H . 34028 1 277 . 1 1 39 39 CYS HA H 1 5.429 0.002 . . . . . . A 39 CYS HA . 34028 1 278 . 1 1 39 39 CYS HB2 H 1 3.364 0.001 . . . . . . A 39 CYS HB2 . 34028 1 279 . 1 1 39 39 CYS HB3 H 1 2.785 0.001 . . . . . . A 39 CYS HB3 . 34028 1 280 . 1 1 40 40 GLN H H 1 8.593 0.001 . . . . . . A 40 GLN H . 34028 1 281 . 1 1 40 40 GLN HA H 1 3.784 0.001 . . . . . . A 40 GLN HA . 34028 1 282 . 1 1 40 40 GLN HB2 H 1 1.725 0.001 . . . . . . A 40 GLN HB2 . 34028 1 283 . 1 1 40 40 GLN HB3 H 1 1.887 0.001 . . . . . . A 40 GLN HB3 . 34028 1 284 . 1 1 40 40 GLN HG2 H 1 1.921 0.001 . . . . . . A 40 GLN HG2 . 34028 1 285 . 1 1 40 40 GLN HG3 H 1 2.015 0.000 . . . . . . A 40 GLN HG3 . 34028 1 286 . 1 1 40 40 GLN HE21 H 1 7.084 0.001 . . . . . . A 40 GLN HE21 . 34028 1 287 . 1 1 40 40 GLN HE22 H 1 6.373 0.000 . . . . . . A 40 GLN HE22 . 34028 1 288 . 1 1 41 41 SER H H 1 8.173 0.001 . . . . . . A 41 SER H . 34028 1 289 . 1 1 41 41 SER HA H 1 4.243 0.001 . . . . . . A 41 SER HA . 34028 1 290 . 1 1 41 41 SER HB2 H 1 3.965 0.000 . . . . . . A 41 SER HB2 . 34028 1 291 . 1 1 41 41 SER HB3 H 1 3.946 0.000 . . . . . . A 41 SER HB3 . 34028 1 292 . 1 1 42 42 CYS H H 1 7.641 0.001 . . . . . . A 42 CYS H . 34028 1 293 . 1 1 42 42 CYS HA H 1 3.920 0.002 . . . . . . A 42 CYS HA . 34028 1 294 . 1 1 42 42 CYS HB2 H 1 2.812 0.000 . . . . . . A 42 CYS HB2 . 34028 1 295 . 1 1 42 42 CYS HB3 H 1 2.778 0.000 . . . . . . A 42 CYS HB3 . 34028 1 296 . 1 1 43 43 PHE H H 1 7.098 0.001 . . . . . . A 43 PHE H . 34028 1 297 . 1 1 43 43 PHE HA H 1 3.788 0.000 . . . . . . A 43 PHE HA . 34028 1 298 . 1 1 43 43 PHE HB2 H 1 2.783 0.004 . . . . . . A 43 PHE HB2 . 34028 1 299 . 1 1 43 43 PHE HB3 H 1 1.910 0.002 . . . . . . A 43 PHE HB3 . 34028 1 300 . 1 1 43 43 PHE HD1 H 1 7.076 0.001 . . . . . . A 43 PHE HD1 . 34028 1 301 . 1 1 43 43 PHE HD2 H 1 7.076 0.001 . . . . . . A 43 PHE HD2 . 34028 1 302 . 1 1 43 43 PHE HE1 H 1 6.954 0.001 . . . . . . A 43 PHE HE1 . 34028 1 303 . 1 1 43 43 PHE HE2 H 1 6.954 0.001 . . . . . . A 43 PHE HE2 . 34028 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 34028 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 H # INAME 2 h 7 1.293 1.245 1 T 8.597e+06 0.00e+00 a 0 47 46 0 8 6.518 6.699 1 T 1.683e+06 0.00e+00 a 0 139 138 0 10 2.850 6.700 1 T 4.100e+05 0.00e+00 a 0 136 138 0 12 2.438 6.701 1 T 4.443e+05 0.00e+00 a 0 135 138 0 14 2.436 7.888 1 T 1.376e+05 0.00e+00 a 0 135 131 0 15 2.850 7.887 1 T 8.757e+04 0.00e+00 a 0 136 131 0 16 2.850 2.436 1 T 4.086e+05 0.00e+00 a 0 136 135 0 18 4.803 7.887 1 T 9.816e+04 0.00e+00 a 0 133 131 0 19 4.804 6.699 1 T 4.044e+05 0.00e+00 a 0 133 138 0 21 4.802 2.851 1 T 1.026e+05 0.00e+00 a 0 133 136 0 22 4.802 2.436 1 T 7.519e+04 0.00e+00 a 0 133 135 0 23 2.779 7.641 1 T 2.452e+05 0.00e+00 a 0 764 759 0 24 2.812 7.641 1 T 1.650e+05 0.00e+00 a 0 763 759 0 27 3.920 7.641 1 T 1.638e+05 0.00e+00 a 0 761 759 0 32 3.366 6.638 1 T 3.668e+05 0.00e+00 a 0 722 188 0 33 6.642 6.883 1 T 1.020e+06 0.00e+00 a 0 188 187 0 35 2.015 6.373 1 T 6.081e+04 0.00e+00 a 0 738 744 0 36 1.920 6.373 1 T 3.932e+04 0.00e+00 a 0 737 744 0 37 2.015 7.083 1 T 2.161e+05 0.00e+00 a 0 738 743 0 38 1.922 2.014 1 T 1.119e+06 0.00e+00 a 0 737 738 0 40 3.785 2.015 1 T 6.120e+04 0.00e+00 a 0 731 738 0 41 3.785 8.593 1 T 1.091e+05 0.00e+00 a 0 731 729 0 42 2.015 8.592 1 T 3.208e+04 0.00e+00 a 0 738 729 0 43 1.924 8.592 1 T 7.178e+04 0.00e+00 a 0 737 729 0 44 1.891 8.593 1 T 1.213e+05 0.00e+00 a 0 734 729 0 45 1.724 8.594 1 T 1.336e+05 0.00e+00 a 0 733 729 0 47 1.886 1.725 1 T 8.866e+05 0.00e+00 a 0 734 733 0 49 2.014 1.725 1 T 2.391e+05 0.00e+00 a 0 738 733 0 50 3.785 1.725 1 T 3.360e+05 0.00e+00 a 0 731 733 0 51 4.242 8.174 1 T 1.740e+05 0.00e+00 a 0 750 748 0 52 3.965 8.173 1 T 3.181e+05 0.00e+00 a 0 752 748 0 53 3.946 8.173 1 T 3.117e+05 0.00e+00 a 0 753 748 0 55 4.242 3.965 1 T 4.015e+05 0.00e+00 a 0 750 752 0 56 4.242 3.946 1 T 4.795e+05 0.00e+00 a 0 750 753 0 58 3.784 8.172 1 T 6.795e+04 0.00e+00 a 0 731 748 0 59 8.174 8.593 1 T 5.264e+04 0.00e+00 a 0 748 729 0 61 4.244 7.642 1 T 5.252e+04 0.00e+00 a 0 750 759 0 62 3.965 7.641 1 T 8.985e+04 0.00e+00 a 0 752 759 0 63 3.785 7.641 1 T 4.011e+04 0.00e+00 a 0 731 759 0 64 7.641 8.173 1 T 2.262e+05 0.00e+00 a 0 759 748 0 66 4.442 6.953 1 T 2.532e+05 0.00e+00 a 0 454 778 0 68 4.443 7.099 1 T 1.088e+05 0.00e+00 a 0 454 770 0 72 6.955 7.079 1 T 6.083e+05 0.00e+00 a 0 778 777 0 75 2.785 7.077 1 T 6.523e+05 0.00e+00 a 0 774 777 0 77 3.788 7.076 1 T 3.691e+05 0.00e+00 a 0 772 777 0 86 5.429 9.462 1 T 5.718e+04 0.00e+00 a 0 720 718 0 87 3.362 5.430 1 T 2.532e+05 0.00e+00 a 0 722 720 0 88 2.786 5.432 1 T 2.184e+05 0.00e+00 a 0 723 720 0 90 3.364 2.785 1 T 1.946e+05 0.00e+00 a 0 722 723 0 92 2.785 9.462 1 T 9.288e+04 0.00e+00 a 0 723 718 0 93 3.364 9.461 1 T 7.014e+04 0.00e+00 a 0 722 718 0 95 6.373 7.085 1 T 1.598e+06 0.00e+00 a 0 744 743 0 104 3.632 2.014 1 T 4.193e+04 0.00e+00 a 0 3 5 0 105 3.633 0.833 1 T 8.446e+04 0.00e+00 a 0 3 16 0 106 2.010 0.816 1 T 2.729e+05 0.00e+00 a 0 5 16 0 108 4.410 1.072 1 T 7.046e+05 0.00e+00 a 0 396 397 0 109 1.071 7.880 1 T 2.452e+05 0.00e+00 a 0 397 394 0 110 4.410 7.879 1 T 1.539e+05 0.00e+00 a 0 396 394 0 111 1.007 8.149 1 T 2.777e+05 0.00e+00 a 0 372 369 0 115 2.532 8.411 1 T 1.771e+04 0.00e+00 a 0 383 379 0 116 2.771 8.411 1 T 2.788e+04 0.00e+00 a 0 384 379 0 117 2.532 7.881 1 T 2.678e+04 0.00e+00 a 0 383 394 0 118 2.770 7.880 1 T 2.728e+04 0.00e+00 a 0 384 394 0 120 7.880 8.411 1 T 2.086e+05 0.00e+00 a 0 394 379 0 121 2.771 2.533 1 T 9.880e+05 0.00e+00 a 0 384 383 0 123 4.699 2.771 1 T 1.579e+05 0.00e+00 a 0 381 384 0 124 4.699 2.533 1 T 2.751e+05 0.00e+00 a 0 381 383 0 125 4.699 8.411 1 T 3.008e+05 0.00e+00 a 0 381 379 0 126 4.700 7.878 1 T 1.385e+05 0.00e+00 a 0 381 394 0 127 1.007 8.412 1 T 1.140e+05 0.00e+00 a 0 372 379 0 128 8.150 8.411 1 T 2.886e+04 0.00e+00 a 0 369 379 0 130 3.712 3.469 1 T 2.607e+05 0.00e+00 a 0 168 170 0 132 3.469 8.229 1 T 1.229e+05 0.00e+00 a 0 170 166 0 133 3.713 8.229 1 T 1.489e+05 0.00e+00 a 0 168 166 0 137 4.317 3.880 1 T 2.950e+05 0.00e+00 a 0 206 227 0 138 4.317 3.481 1 T 1.973e+05 0.00e+00 a 0 206 226 0 139 3.879 3.481 1 T 4.039e+05 0.00e+00 a 0 227 226 0 143 4.318 7.002 1 T 1.184e+05 0.00e+00 a 0 206 204 0 150 3.987 3.706 1 T 2.994e+05 0.00e+00 a 0 119 121 0 152 3.709 7.954 1 T 8.936e+04 0.00e+00 a 0 121 117 0 153 3.986 7.955 1 T 8.587e+04 0.00e+00 a 0 119 117 0 154 2.372 1.501 1 T 6.101e+04 0.00e+00 a 0 468 465 0 156 2.373 1.343 1 T 1.078e+05 0.00e+00 a 0 468 460 0 157 2.374 1.248 1 T 8.181e+04 0.00e+00 a 0 468 461 0 158 2.373 2.304 1 T 1.465e+06 0.00e+00 a 0 468 469 0 160 4.443 1.247 1 T 1.050e+05 0.00e+00 a 0 454 461 0 161 4.442 1.342 1 T 1.001e+05 0.00e+00 a 0 454 460 0 164 2.773 6.280 1 T 5.424e+04 0.00e+00 a 0 384 390 0 165 2.533 6.280 1 T 4.021e+04 0.00e+00 a 0 383 390 0 166 2.770 7.412 1 T 1.348e+05 0.00e+00 a 0 384 389 0 167 2.531 7.412 1 T 1.133e+05 0.00e+00 a 0 383 389 0 168 6.281 7.413 1 T 1.238e+06 0.00e+00 a 0 390 389 0 170 4.888 3.233 1 T 3.765e+05 0.00e+00 a 0 406 409 0 171 4.887 8.144 1 T 9.889e+04 0.00e+00 a 0 406 404 0 172 3.237 8.144 1 T 1.524e+05 0.00e+00 a 0 409 404 0 173 3.481 2.035 1 T 1.738e+05 0.00e+00 a 0 226 224 0 174 3.481 1.776 1 T 6.367e+04 0.00e+00 a 0 226 219 0 175 2.035 1.776 1 T 2.639e+05 0.00e+00 a 0 224 219 0 177 2.303 1.777 1 T 4.856e+05 0.00e+00 a 0 220 219 0 179 2.035 2.303 1 T 2.640e+05 0.00e+00 a 0 224 220 0 185 3.881 2.303 1 T 4.355e+04 0.00e+00 a 0 227 220 0 186 3.880 2.036 1 T 1.728e+05 0.00e+00 a 0 227 224 0 191 3.879 7.959 1 T 1.910e+05 0.00e+00 a 0 227 648 0 192 3.481 7.960 1 T 1.121e+05 0.00e+00 a 0 226 648 0 193 4.317 7.958 1 T 7.339e+05 0.00e+00 a 0 206 648 0 194 3.988 0.753 1 T 4.007e+05 0.00e+00 a 0 119 122 0 195 3.706 0.751 1 T 6.421e+05 0.00e+00 a 0 121 122 0 196 0.752 7.955 1 T 8.098e+04 0.00e+00 a 0 122 117 0 197 0.751 6.517 1 T 9.966e+04 0.00e+00 a 0 122 139 0 203 3.713 0.659 1 T 4.008e+05 0.00e+00 a 0 168 171 0 204 3.470 0.660 1 T 4.353e+05 0.00e+00 a 0 170 171 0 207 0.660 8.229 1 T 1.081e+05 0.00e+00 a 0 171 166 0 208 0.660 6.882 1 T 1.193e+05 0.00e+00 a 0 171 187 0 209 0.661 6.639 1 T 1.596e+05 0.00e+00 a 0 171 188 0 211 0.752 7.888 1 T 1.076e+05 0.00e+00 a 0 122 131 0 212 3.707 7.887 1 T 1.278e+05 0.00e+00 a 0 121 131 0 213 3.988 7.887 1 T 3.171e+05 0.00e+00 a 0 119 131 0 214 7.887 7.954 1 T 2.404e+05 0.00e+00 a 0 131 117 0 215 4.122 7.954 1 T 2.971e+05 0.00e+00 a 0 92 117 0 216 2.245 8.677 1 T 8.908e+04 0.00e+00 a 0 0 180 0 217 1.182 8.677 1 T 1.324e+05 0.00e+00 a 0 184 180 0 219 2.246 1.182 1 T 2.447e+05 0.00e+00 a 0 185 184 0 220 2.245 6.882 1 T 3.685e+05 0.00e+00 a 0 185 187 0 221 1.182 6.883 1 T 3.793e+05 0.00e+00 a 0 184 187 0 222 4.162 6.882 1 T 4.295e+05 0.00e+00 a 0 182 187 0 226 6.700 7.886 1 T 1.299e+05 0.00e+00 a 0 138 131 0 230 3.929 1.006 1 T 3.621e+05 0.00e+00 a 0 371 372 0 231 3.928 8.150 1 T 1.557e+05 0.00e+00 a 0 371 369 0 232 3.928 8.411 1 T 2.381e+05 0.00e+00 a 0 371 379 0 233 4.162 8.677 1 T 1.021e+05 0.00e+00 a 0 182 180 0 234 7.003 8.677 1 T 1.934e+05 0.00e+00 a 0 204 180 0 235 4.161 7.003 1 T 6.775e+04 0.00e+00 a 0 182 204 0 239 3.623 8.337 1 T 1.101e+05 0.00e+00 a 0 157 155 0 240 2.906 8.337 1 T 1.578e+05 0.00e+00 a 0 159 155 0 241 4.803 8.337 1 T 2.293e+05 0.00e+00 a 0 133 155 0 242 2.904 3.620 1 T 9.432e+04 0.00e+00 a 0 159 157 0 244 1.071 8.144 1 T 3.318e+05 0.00e+00 a 0 397 404 0 245 4.410 8.144 1 T 3.978e+05 0.00e+00 a 0 396 404 0 247 7.881 8.144 1 T 8.962e+04 0.00e+00 a 0 394 404 0 248 4.292 8.702 1 T 4.003e+05 0.00e+00 a 0 318 343 0 249 4.442 9.024 1 T 1.335e+05 0.00e+00 a 0 454 452 0 251 8.275 9.024 1 T 1.999e+05 0.00e+00 a 0 478 452 0 252 4.443 8.275 1 T 7.066e+04 0.00e+00 a 0 454 478 0 259 0.541 0.448 1 T 5.371e+05 0.00e+00 a 0 671 680 0 261 0.972 0.448 1 T 1.865e+05 0.00e+00 a 0 678 680 0 262 0.973 0.541 1 T 1.274e+05 0.00e+00 a 0 678 671 0 263 1.028 0.542 1 T 1.342e+05 0.00e+00 a 0 677 671 0 264 1.027 0.449 1 T 1.898e+05 0.00e+00 a 0 677 680 0 265 1.442 0.542 1 T 5.149e+05 0.00e+00 a 0 670 671 0 266 1.440 0.448 1 T 2.202e+05 0.00e+00 a 0 670 680 0 267 3.765 1.441 1 T 1.632e+05 0.00e+00 a 0 668 670 0 268 3.769 0.541 1 T 3.263e+05 0.00e+00 a 0 668 671 0 269 3.775 1.025 1 T 8.755e+04 0.00e+00 a 0 668 677 0 270 3.772 0.970 1 T 5.975e+04 0.00e+00 a 0 668 678 0 272 1.165 0.388 1 T 2.490e+05 0.00e+00 a 0 570 573 0 274 0.977 0.388 1 T 4.356e+05 0.00e+00 a 0 564 573 0 275 1.988 0.387 1 T 1.631e+05 0.00e+00 a 0 563 573 0 279 1.899 0.542 1 T 1.408e+05 0.00e+00 a 0 703 671 0 280 2.624 0.388 1 T 1.148e+05 0.00e+00 a 0 420 573 0 283 2.734 0.543 1 T 6.804e+04 0.00e+00 a 0 711 671 0 286 2.399 0.388 1 T 8.242e+04 0.00e+00 a 0 656 573 0 287 3.095 0.387 1 T 6.205e+04 0.00e+00 a 0 655 573 0 288 3.348 0.388 1 T 1.084e+05 0.00e+00 a 0 419 573 0 289 3.588 0.387 1 T 9.068e+04 0.00e+00 a 0 417 573 0 290 4.888 0.389 1 T 5.088e+04 0.00e+00 a 0 406 573 0 291 5.007 0.387 1 T 3.066e+05 0.00e+00 a 0 689 573 0 304 2.785 6.639 1 T 2.838e+05 0.00e+00 a 0 723 188 0 305 0.977 6.639 1 T 4.544e+05 0.00e+00 a 0 564 188 0 306 0.977 6.882 1 T 5.176e+05 0.00e+00 a 0 564 187 0 307 1.023 6.700 1 T 7.169e+04 0.00e+00 a 0 299 138 0 308 1.022 6.518 1 T 9.255e+04 0.00e+00 a 0 299 139 0 310 1.159 6.518 1 T 1.316e+05 0.00e+00 a 0 353 139 0 312 1.301 6.518 1 T 2.035e+05 0.00e+00 a 0 294 139 0 315 1.617 6.700 1 T 7.997e+04 0.00e+00 a 0 348 138 0 317 1.479 6.701 1 T 1.126e+05 0.00e+00 a 0 355 138 0 320 1.481 6.517 1 T 2.036e+05 0.00e+00 a 0 355 139 0 322 1.722 6.640 1 T 1.540e+05 0.00e+00 a 0 519 188 0 325 3.013 6.699 1 T 1.059e+05 0.00e+00 a 0 291 138 0 326 3.016 6.518 1 T 1.070e+05 0.00e+00 a 0 291 139 0 327 4.045 6.700 1 T 3.603e+05 0.00e+00 a 0 345 138 0 330 3.376 2.970 1 T 2.240e+05 0.00e+00 a 0 639 638 0 331 4.349 3.376 1 T 9.512e+04 0.00e+00 a 0 636 639 0 332 4.352 2.972 1 T 8.293e+04 0.00e+00 a 0 636 638 0 333 4.348 7.069 1 T 7.227e+05 0.00e+00 a 0 636 647 0 334 3.375 7.069 1 T 1.772e+05 0.00e+00 a 0 639 647 0 335 2.970 7.069 1 T 1.292e+05 0.00e+00 a 0 638 647 0 337 4.349 7.765 1 T 1.088e+05 0.00e+00 a 0 636 634 0 338 3.376 7.765 1 T 1.270e+05 0.00e+00 a 0 639 634 0 339 2.971 7.766 1 T 1.702e+05 0.00e+00 a 0 638 634 0 340 7.768 7.069 1 T 4.654e+04 0.00e+00 a 0 634 647 0 347 5.009 2.653 1 T 6.920e+04 0.00e+00 a 0 689 692 0 348 5.009 2.133 1 T 8.686e+04 0.00e+00 a 0 689 691 0 349 5.009 8.062 1 T 8.454e+04 0.00e+00 a 0 689 687 0 350 2.657 8.063 1 T 1.707e+05 0.00e+00 a 0 692 687 0 351 2.134 8.063 1 T 1.176e+05 0.00e+00 a 0 691 687 0 356 5.585 7.530 1 T 5.431e+04 0.00e+00 a 0 701 699 0 359 1.900 2.549 1 T 1.505e+05 0.00e+00 a 0 703 707 0 360 1.801 2.550 1 T 1.004e+05 0.00e+00 a 0 704 707 0 361 1.899 2.734 1 T 2.260e+05 0.00e+00 a 0 703 711 0 366 2.734 2.549 1 T 8.544e+05 0.00e+00 a 0 711 707 0 367 5.586 9.462 1 T 2.332e+05 0.00e+00 a 0 701 718 0 369 1.989 0.978 1 T 2.931e+05 0.00e+00 a 0 563 564 0 372 5.822 8.556 1 T 5.785e+04 0.00e+00 a 0 561 559 0 373 1.988 5.823 1 T 2.221e+05 0.00e+00 a 0 563 561 0 374 0.978 5.823 1 T 3.100e+05 0.00e+00 a 0 564 561 0 375 4.998 3.096 1 T 3.853e+04 0.00e+00 a 0 689 655 0 376 4.997 2.400 1 T 4.276e+04 0.00e+00 a 0 689 656 0 377 4.998 6.899 1 T 8.660e+04 0.00e+00 a 0 653 651 0 378 3.095 6.901 1 T 1.739e+05 0.00e+00 a 0 655 651 0 379 2.400 6.902 1 T 1.432e+05 0.00e+00 a 0 656 651 0 381 0.386 6.639 1 T 6.746e+04 0.00e+00 a 0 573 188 0 383 0.976 5.430 1 T 1.407e+05 0.00e+00 a 0 564 720 0 384 1.620 8.415 1 T 1.398e+05 0.00e+00 a 0 50 38 0 385 1.566 8.416 1 T 1.894e+05 0.00e+00 a 0 51 38 0 386 1.294 8.416 1 T 7.754e+04 0.00e+00 a 0 47 38 0 387 1.245 8.416 1 T 5.750e+04 0.00e+00 a 0 46 38 0 388 4.111 8.415 1 T 1.005e+05 0.00e+00 a 0 40 38 0 391 4.442 2.374 1 T 1.325e+05 0.00e+00 a 0 454 468 0 393 2.374 1.732 1 T 4.339e+05 0.00e+00 a 0 468 457 0 395 2.373 9.024 1 T 1.373e+05 0.00e+00 a 0 468 452 0 396 1.732 9.024 1 T 1.562e+05 0.00e+00 a 0 457 452 0 397 2.374 8.275 1 T 1.531e+05 0.00e+00 a 0 468 478 0 398 1.731 8.274 1 T 1.626e+05 0.00e+00 a 0 457 478 0 406 2.682 1.443 1 T 1.477e+05 0.00e+00 a 0 443 435 0 407 2.732 1.443 1 T 1.993e+05 0.00e+00 a 0 442 435 0 413 3.936 1.443 1 T 2.342e+05 0.00e+00 a 0 428 435 0 414 3.935 1.679 1 T 1.876e+05 0.00e+00 a 0 428 439 0 421 2.755 1.228 1 T 9.191e+04 0.00e+00 a 0 301 293 0 422 2.755 1.300 1 T 6.220e+04 0.00e+00 a 0 301 294 0 427 3.022 1.649 1 T 6.204e+04 0.00e+00 a 0 102 95 0 428 3.022 1.550 1 T 2.598e+05 0.00e+00 a 0 102 94 0 429 3.021 1.470 1 T 3.041e+05 0.00e+00 a 0 102 99 0 430 3.021 1.416 1 T 2.880e+05 0.00e+00 a 0 102 98 0 439 3.069 1.683 1 T 1.064e+05 0.00e+00 a 0 603 596 0 443 4.076 1.734 1 T 2.887e+05 0.00e+00 a 0 593 595 0 444 4.076 1.684 1 T 1.924e+05 0.00e+00 a 0 593 596 0 446 1.735 1.685 1 T 2.855e+06 0.00e+00 a 0 595 596 0 447 4.076 8.216 1 T 1.966e+05 0.00e+00 a 0 593 591 0 455 4.252 8.439 1 T 1.328e+05 0.00e+00 a 0 517 515 0 456 1.744 8.441 1 T 2.001e+05 0.00e+00 a 0 519 515 0 457 4.045 7.778 1 T 3.349e+05 0.00e+00 a 0 491 489 0 458 4.044 8.441 1 T 7.463e+04 0.00e+00 a 0 491 515 0 459 7.779 8.441 1 T 5.952e+04 0.00e+00 a 0 489 515 0 462 1.303 8.441 1 T 8.799e+04 0.00e+00 a 0 525 515 0 463 2.088 7.779 1 T 4.218e+04 0.00e+00 a 0 494 489 0 464 4.044 2.087 1 T 1.336e+05 0.00e+00 a 0 491 494 0 470 1.179 1.125 1 T 2.017e+06 0.00e+00 a 0 498 497 0 471 1.860 1.124 1 T 1.462e+05 0.00e+00 a 0 493 497 0 472 1.860 1.179 1 T 1.704e+05 0.00e+00 a 0 493 498 0 473 2.087 1.125 1 T 1.449e+05 0.00e+00 a 0 494 497 0 474 2.086 1.179 1 T 1.651e+05 0.00e+00 a 0 494 498 0 478 2.086 1.860 1 T 6.702e+05 0.00e+00 a 0 494 493 0 479 4.044 1.860 1 T 2.091e+05 0.00e+00 a 0 491 493 0 480 4.044 1.179 1 T 1.282e+05 0.00e+00 a 0 491 498 0 481 4.043 1.125 1 T 1.133e+05 0.00e+00 a 0 491 497 0 482 1.179 7.779 1 T 5.869e+04 0.00e+00 a 0 498 489 0 483 1.125 7.779 1 T 5.003e+04 0.00e+00 a 0 497 489 0 484 3.782 7.764 1 T 7.336e+04 0.00e+00 a 0 620 634 0 485 1.610 7.766 1 T 9.178e+04 0.00e+00 a 0 622 634 0 486 1.408 7.767 1 T 7.385e+04 0.00e+00 a 0 623 634 0 487 3.780 8.105 1 T 2.082e+05 0.00e+00 a 0 620 618 0 488 7.764 8.105 1 T 1.923e+05 0.00e+00 a 0 634 618 0 490 1.608 8.105 1 T 3.322e+05 0.00e+00 a 0 622 618 0 492 1.905 1.610 1 T 9.810e+05 0.00e+00 a 0 627 622 0 494 1.407 8.105 1 T 1.714e+05 0.00e+00 a 0 623 618 0 495 3.782 1.905 1 T 6.182e+05 0.00e+00 a 0 620 628 0 496 3.782 1.610 1 T 3.670e+05 0.00e+00 a 0 620 622 0 497 3.778 1.406 1 T 1.877e+05 0.00e+00 a 0 620 623 0 501 4.348 6.898 1 T 1.044e+05 0.00e+00 a 0 636 651 0 503 6.900 7.765 1 T 1.773e+05 0.00e+00 a 0 651 634 0 504 6.904 9.246 1 T 3.766e+03 0.00e+00 a 0 651 666 0 505 1.440 9.251 1 T 1.310e+05 0.00e+00 a 0 670 666 0 506 0.540 9.251 1 T 8.345e+04 0.00e+00 a 0 671 666 0 507 3.765 9.251 1 T 8.103e+04 0.00e+00 a 0 668 666 0 509 1.028 9.250 1 T 6.846e+04 0.00e+00 a 0 677 666 0 510 0.450 9.253 1 T 5.800e+04 0.00e+00 a 0 680 666 0 511 0.387 9.252 1 T 6.190e+04 0.00e+00 a 0 573 666 0 512 5.000 9.250 1 T 2.687e+05 0.00e+00 a 0 653 666 0 515 3.764 8.062 1 T 4.676e+05 0.00e+00 a 0 668 687 0 516 1.439 8.063 1 T 1.378e+05 0.00e+00 a 0 670 687 0 517 5.010 7.532 1 T 3.817e+05 0.00e+00 a 0 689 699 0 518 2.658 7.530 1 T 5.988e+04 0.00e+00 a 0 692 699 0 519 2.133 7.531 1 T 6.614e+04 0.00e+00 a 0 691 699 0 520 7.531 9.462 1 T 2.430e+04 0.00e+00 a 0 699 718 0 522 1.899 7.531 1 T 6.807e+04 0.00e+00 a 0 703 699 0 523 1.800 7.530 1 T 7.340e+04 0.00e+00 a 0 704 699 0 524 1.900 9.463 1 T 4.701e+04 0.00e+00 a 0 703 718 0 525 1.802 9.461 1 T 4.627e+04 0.00e+00 a 0 704 718 0 526 3.364 8.593 1 T 1.072e+05 0.00e+00 a 0 722 729 0 527 2.785 8.593 1 T 6.542e+04 0.00e+00 a 0 723 729 0 528 5.429 8.594 1 T 1.699e+05 0.00e+00 a 0 720 729 0 529 6.902 8.106 1 T 4.198e+04 0.00e+00 a 0 651 618 0 531 8.106 8.216 1 T 2.177e+05 0.00e+00 a 0 618 591 0 532 4.076 8.105 1 T 7.920e+04 0.00e+00 a 0 593 618 0 533 1.735 8.105 1 T 6.794e+04 0.00e+00 a 0 595 618 0 534 1.685 8.105 1 T 8.991e+04 0.00e+00 a 0 596 618 0 535 1.736 8.216 1 T 2.286e+05 0.00e+00 a 0 595 591 0 536 1.685 8.216 1 T 2.028e+05 0.00e+00 a 0 596 591 0 537 3.623 8.230 1 T 2.575e+05 0.00e+00 a 0 157 166 0 538 1.618 8.149 1 T 1.403e+05 0.00e+00 a 0 348 369 0 541 1.619 8.702 1 T 2.510e+05 0.00e+00 a 0 349 343 0 542 1.478 8.702 1 T 1.999e+05 0.00e+00 a 0 357 343 0 543 1.159 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3.623 2.775 1 T 5.461e+04 0.00e+00 a 0 157 160 0 1557 5.430 1.896 1 T 2.918e+04 0.00e+00 a 0 720 703 0 1558 1.777 8.863 1 T 2.308e+04 0.00e+00 a 0 219 231 0 1560 2.373 1.436 1 T 1.105e+05 0.00e+00 a 0 468 464 0 1562 2.649 8.106 1 T 3.290e+04 0.00e+00 a 0 585 618 0 1563 2.734 1.801 1 T 9.016e+04 0.00e+00 a 0 711 704 0 1564 2.549 1.801 1 T 8.147e+04 0.00e+00 a 0 707 704 0 1565 2.549 1.899 1 T 1.008e+05 0.00e+00 a 0 707 703 0 1566 2.734 1.899 1 T 1.200e+05 0.00e+00 a 0 711 703 0 1568 3.765 0.448 1 T 3.609e+05 0.00e+00 a 0 668 680 0 1570 8.593 7.641 1 T 2.847e+04 0.00e+00 a 0 729 759 0 1578 1.777 8.246 1 T 9.634e+04 0.00e+00 a 0 219 242 0 1579 2.625 8.275 1 T 2.592e+04 0.00e+00 a 0 420 478 0 1580 5.585 2.622 1 T 2.636e+04 0.00e+00 a 0 701 420 0 1581 5.581 3.348 1 T 2.330e+04 0.00e+00 a 0 701 419 0 1583 7.765 8.897 1 T 8.289e+04 0.00e+00 a 0 634 580 0 1585 2.782 1.188 1 T 1.802e+05 0.00e+00 a 0 258 252 0 1587 1.909 2.785 1 T 2.062e+05 0.00e+00 a 0 775 774 0 1590 4.887 0.710 1 T 1.576e+05 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1.007 8.229 1 T 5.973e+04 0.00e+00 a 0 372 166 0 1626 0.977 8.229 1 T 5.076e+04 0.00e+00 a 0 564 166 0 1629 5.821 1.162 1 T 2.964e+04 0.00e+00 a 0 561 570 0 1630 0.972 9.251 1 T 1.234e+05 0.00e+00 a 0 678 666 0 1631 3.364 0.388 1 T 1.084e+05 0.00e+00 a 0 722 573 0 1632 4.838 3.428 1 T 1.556e+05 0.00e+00 a 0 582 584 0 1633 7.765 8.216 1 T 2.607e+04 0.00e+00 a 0 634 591 0 1634 3.376 6.901 1 T 8.996e+04 0.00e+00 a 0 639 651 0 1635 3.099 9.252 1 T 2.120e+04 0.00e+00 a 0 655 666 0 1636 1.800 0.542 1 T 5.985e+04 0.00e+00 a 0 704 671 0 1637 3.946 7.641 1 T 1.393e+05 0.00e+00 a 0 753 759 0 1642 1.304 0.660 1 T 1.390e+05 0.00e+00 a 0 524 171 0 1646 3.587 8.441 1 T 2.010e+04 0.00e+00 a 0 417 515 0 1650 4.243 7.098 1 T 4.739e+04 0.00e+00 a 0 750 770 0 1651 4.803 4.042 1 T 4.474e+05 0.00e+00 a 0 133 345 0 1655 1.007 8.898 1 T 5.133e+04 0.00e+00 a 0 372 580 0 1662 1.921 6.639 1 T 4.694e+04 0.00e+00 a 0 737 188 0 1663 2.015 6.640 1 T 5.056e+04 0.00e+00 a 0 738 188 0 1664 0.710 7.887 1 T 1.856e+05 0.00e+00 a 0 546 394 0 1666 1.860 8.441 1 T 2.882e+04 0.00e+00 a 0 493 515 0 1667 2.087 8.442 1 T 1.878e+04 0.00e+00 a 0 494 515 0 1668 8.336 8.150 1 T 1.188e+05 0.00e+00 a 0 155 369 0 1669 3.928 8.338 1 T 3.806e+04 0.00e+00 a 0 371 155 0 1670 2.906 2.773 1 T 4.429e+05 0.00e+00 a 0 159 160 0 1671 7.068 7.958 1 T 6.377e+04 0.00e+00 a 0 647 648 0 1672 9.063 8.667 1 T 1.812e+04 0.00e+00 a 0 426 415 0 1673 8.593 9.460 1 T 2.746e+04 0.00e+00 a 0 729 718 0 1674 8.703 8.722 1 T 7.200e+05 0.00e+00 a 0 343 316 0 1676 8.666 8.144 1 T 2.684e+04 0.00e+00 a 0 415 404 0 1677 8.274 8.441 1 T 3.548e+04 0.00e+00 a 0 478 515 0 1678 8.260 8.416 1 T 4.857e+04 0.00e+00 a 0 64 38 0 1679 8.261 8.352 1 T 1.558e+05 0.00e+00 a 0 64 90 0 1682 4.700 7.411 1 T 6.458e+04 0.00e+00 a 0 381 389 0 1683 4.330 3.880 1 T 2.232e+05 0.00e+00 a 0 217 227 0 1684 4.330 3.480 1 T 1.378e+05 0.00e+00 a 0 217 226 0 1687 4.043 8.338 1 T 1.102e+05 0.00e+00 a 0 345 155 0 1689 3.880 6.952 1 T 5.586e+04 0.00e+00 a 0 227 268 0 1690 3.468 7.867 1 T 1.970e+04 0.00e+00 a 0 170 541 0 1692 3.236 7.866 1 T 2.806e+04 0.00e+00 a 0 409 541 0 1694 3.042 7.778 1 T 2.400e+04 0.00e+00 a 0 482 489 0 1695 3.376 6.882 1 T 2.193e+05 0.00e+00 a 0 639 187 0 1696 2.773 7.003 1 T 9.667e+04 0.00e+00 a 0 160 204 0 1697 2.778 7.076 1 T 6.523e+05 0.00e+00 a 0 764 777 0 1698 2.812 7.076 1 T 4.556e+05 0.00e+00 a 0 763 777 0 1699 2.778 7.099 1 T 7.292e+05 0.00e+00 a 0 764 770 0 1700 2.813 7.099 1 T 5.003e+05 0.00e+00 a 0 763 770 0 1702 2.372 7.077 1 T 7.032e+04 0.00e+00 a 0 468 777 0 1703 5.822 1.008 1 T 7.856e+04 0.00e+00 a 0 561 372 0 1706 0.541 3.784 1 T 2.134e+05 0.00e+00 a 0 671 731 0 1707 0.448 3.784 1 T 4.189e+05 0.00e+00 a 0 680 731 0 1708 0.542 9.463 1 T 2.849e+04 0.00e+00 a 0 671 718 0 1709 0.389 9.460 1 T 2.686e+04 0.00e+00 a 0 573 718 0 1712 8.246 8.863 1 T 1.987e+04 0.00e+00 a 0 242 231 0 1713 6.699 8.722 1 T 3.678e+04 0.00e+00 a 0 138 316 0 1716 0.710 8.150 1 T 6.012e+04 0.00e+00 a 0 546 369 0 1717 0.710 7.954 1 T 4.778e+04 0.00e+00 a 0 546 117 0 1718 1.072 8.063 1 T 3.406e+04 0.00e+00 a 0 397 687 0 1722 4.291 6.700 1 T 4.496e+04 0.00e+00 a 0 318 138 0 1725 3.469 7.004 1 T 4.725e+04 0.00e+00 a 0 170 204 0 1726 1.905 8.105 1 T 6.658e+04 0.00e+00 a 0 627 618 0 1730 2.086 2.813 1 T 8.662e+04 0.00e+00 a 0 494 506 0 1731 4.086 1.560 1 T 4.127e+05 0.00e+00 a 0 66 70 0 1732 4.084 1.620 1 T 2.423e+05 0.00e+00 a 0 66 78 0 1733 1.620 8.353 1 T 1.175e+05 0.00e+00 a 0 78 90 0 1734 4.123 1.648 1 T 1.594e+05 0.00e+00 a 0 92 95 0 1735 3.908 1.188 1 T 7.896e+04 0.00e+00 a 0 244 252 0 1736 1.025 2.810 1 T 2.147e+05 0.00e+00 a 0 298 302 0 1737 1.229 2.808 1 T 3.781e+05 0.00e+00 a 0 293 302 0 1738 1.300 2.809 1 T 3.698e+05 0.00e+00 a 0 294 302 0 1739 1.565 3.535 1 T 1.639e+04 0.00e+00 a 0 325 329 0 1741 1.874 8.416 1 T 4.125e+04 0.00e+00 a 0 23 38 0 1742 1.648 3.021 1 T 9.533e+04 0.00e+00 a 0 95 104 0 1743 1.646 4.121 1 T 2.120e+05 0.00e+00 a 0 95 92 0 1744 1.647 8.351 1 T 6.821e+04 0.00e+00 a 0 95 90 0 1745 1.189 3.908 1 T 2.510e+05 0.00e+00 a 0 252 244 0 1746 1.190 2.783 1 T 3.145e+05 0.00e+00 a 0 252 258 0 1747 1.190 2.802 1 T 2.638e+05 0.00e+00 a 0 252 259 0 1748 1.126 2.813 1 T 1.508e+05 0.00e+00 a 0 497 507 0 1751 1.722 4.252 1 T 1.844e+05 0.00e+00 a 0 520 517 0 1753 1.723 7.863 1 T 9.957e+04 0.00e+00 a 0 520 541 0 1755 1.733 3.070 1 T 9.502e+04 0.00e+00 a 0 595 603 0 1756 1.685 3.070 1 T 9.825e+04 0.00e+00 a 0 596 603 0 1757 1.576 3.070 1 T 4.032e+05 0.00e+00 a 0 601 605 0 1761 1.499 9.024 1 T 2.818e+04 0.00e+00 a 0 465 452 0 1765 1.247 6.954 1 T 1.285e+05 0.00e+00 a 0 461 778 0 1766 1.576 7.140 1 T 6.435e+04 0.00e+00 a 0 601 607 0 1768 0.389 5.585 1 T 4.477e+04 0.00e+00 a 0 573 701 0 1772 4.123 0.713 1 T 7.446e+04 0.00e+00 a 0 92 546 0 1776 2.821 0.660 1 T 4.106e+04 0.00e+00 a 0 532 171 0 1777 1.612 0.660 1 T 7.576e+04 0.00e+00 a 0 529 171 0 1778 1.722 0.660 1 T 2.002e+05 0.00e+00 a 0 520 171 0 1779 1.744 0.660 1 T 2.029e+05 0.00e+00 a 0 519 171 0 1781 0.658 7.864 1 T 1.067e+05 0.00e+00 a 0 171 541 0 1783 4.162 0.660 1 T 4.492e+04 0.00e+00 a 0 182 171 0 1787 8.173 6.638 1 T 4.673e+04 0.00e+00 a 0 748 188 0 1792 1.073 8.552 1 T 3.024e+04 0.00e+00 a 0 397 559 0 1793 0.819 7.882 1 T 3.251e+04 0.00e+00 a 0 571 394 0 1794 1.165 7.881 1 T 2.293e+04 0.00e+00 a 0 570 394 0 1796 2.971 5.823 1 T 3.291e+04 0.00e+00 a 0 638 561 0 1797 3.624 1.790 1 T 3.506e+04 0.00e+00 a 0 157 545 0 1799 6.881 7.069 1 T 1.755e+05 0.00e+00 a 0 187 647 0 1806 3.349 9.024 1 T 1.806e+04 0.00e+00 a 0 419 452 0 1808 1.164 8.897 1 T 2.496e+04 0.00e+00 a 0 570 580 0 1810 1.024 8.722 1 T 2.869e+04 0.00e+00 a 0 298 316 0 1811 2.849 8.722 1 T 3.431e+04 0.00e+00 a 0 136 316 0 1812 6.518 8.722 1 T 2.558e+04 0.00e+00 a 0 139 316 0 1815 3.236 8.556 1 T 2.588e+04 0.00e+00 a 0 409 559 0 1816 7.880 8.557 1 T 3.569e+04 0.00e+00 a 0 394 559 0 1819 8.722 8.338 1 T 2.527e+04 0.00e+00 a 0 316 155 0 1823 1.216 8.352 1 T 3.610e+04 0.00e+00 a 0 73 90 0 1825 2.807 8.337 1 T 9.979e+04 0.00e+00 a 0 209 155 0 1826 4.111 8.352 1 T 4.249e+05 0.00e+00 a 0 40 90 0 1827 8.150 8.337 1 T 9.764e+04 0.00e+00 a 0 369 155 0 1828 1.245 8.261 1 T 1.294e+05 0.00e+00 a 0 46 64 0 1829 1.293 8.260 1 T 9.643e+04 0.00e+00 a 0 47 64 0 1832 1.733 8.260 1 T 1.550e+05 0.00e+00 a 0 43 64 0 1834 2.778 8.275 1 T 3.756e+04 0.00e+00 a 0 764 478 0 1835 2.771 8.216 1 T 4.613e+04 0.00e+00 a 0 384 591 0 1837 8.556 8.144 1 T 2.505e+04 0.00e+00 a 0 559 404 0 1838 1.164 8.144 1 T 5.330e+04 0.00e+00 a 0 570 404 0 1839 2.774 8.149 1 T 2.939e+04 0.00e+00 a 0 160 369 0 1841 4.600 8.144 1 T 3.938e+04 0.00e+00 a 0 543 404 0 1843 6.879 8.230 1 T 2.165e+04 0.00e+00 a 0 187 166 0 1844 7.098 8.173 1 T 4.291e+04 0.00e+00 a 0 770 748 0 1845 7.864 8.229 1 T 4.129e+04 0.00e+00 a 0 541 166 0 1846 1.414 7.956 1 T 3.446e+04 0.00e+00 a 0 98 117 0 1847 1.469 7.954 1 T 2.156e+04 0.00e+00 a 0 99 117 0 1850 1.170 7.447 1 T 5.045e+04 0.00e+00 a 0 279 289 0 1851 1.440 7.530 1 T 2.736e+04 0.00e+00 a 0 670 699 0 1852 2.397 7.497 1 T 4.362e+04 0.00e+00 a 0 656 662 0 1854 3.095 7.495 1 T 3.740e+04 0.00e+00 a 0 655 662 0 1855 8.105 7.766 1 T 1.837e+05 0.00e+00 a 0 618 634 0 1856 8.275 7.779 1 T 1.597e+05 0.00e+00 a 0 478 489 0 1857 8.174 7.639 1 T 1.868e+05 0.00e+00 a 0 748 759 0 1858 8.062 7.531 1 T 2.742e+04 0.00e+00 a 0 687 699 0 1859 8.440 7.777 1 T 9.419e+04 0.00e+00 a 0 515 489 0 1860 8.411 7.880 1 T 2.591e+05 0.00e+00 a 0 379 394 0 1861 8.723 7.448 1 T 6.916e+04 0.00e+00 a 0 316 289 0 1862 8.677 7.003 1 T 2.706e+05 0.00e+00 a 0 180 204 0 1864 8.231 6.999 1 T 3.224e+04 0.00e+00 a 0 166 204 0 1865 8.226 6.883 1 T 3.351e+04 0.00e+00 a 0 166 187 0 1866 8.105 6.900 1 T 4.387e+04 0.00e+00 a 0 618 651 0 1867 8.245 6.951 1 T 5.804e+04 0.00e+00 a 0 242 268 0 1868 7.960 7.003 1 T 4.888e+04 0.00e+00 a 0 648 204 0 1869 7.765 6.902 1 T 1.804e+05 0.00e+00 a 0 634 651 0 1870 7.641 7.097 1 T 1.936e+05 0.00e+00 a 0 759 770 0 1871 7.411 7.140 1 T 1.970e+04 0.00e+00 a 0 389 607 0 1872 7.447 6.952 1 T 1.115e+05 0.00e+00 a 0 289 268 0 1873 3.481 7.004 1 T 4.507e+04 0.00e+00 a 0 226 204 0 1875 1.731 7.097 1 T 1.510e+05 0.00e+00 a 0 457 770 0 1876 1.731 7.077 1 T 1.210e+05 0.00e+00 a 0 457 777 0 1877 1.731 6.955 1 T 1.329e+05 0.00e+00 a 0 457 778 0 1879 1.501 7.097 1 T 6.947e+04 0.00e+00 a 0 465 770 0 1881 1.484 6.952 1 T 6.663e+04 0.00e+00 a 0 246 268 0 1882 1.501 6.956 1 T 5.456e+04 0.00e+00 a 0 465 778 0 1886 1.188 6.952 1 T 1.708e+05 0.00e+00 a 0 252 268 0 1888 0.388 6.901 1 T 5.163e+04 0.00e+00 a 0 573 651 0 1890 1.742 6.638 1 T 1.367e+05 0.00e+00 a 0 519 188 0 1895 7.890 6.699 1 T 1.791e+05 0.00e+00 a 0 131 138 0 1896 8.151 6.701 1 T 9.722e+04 0.00e+00 a 0 369 138 0 1897 8.339 6.700 1 T 1.093e+05 0.00e+00 a 0 155 138 0 1898 8.594 6.637 1 T 6.234e+04 0.00e+00 a 0 729 188 0 1899 8.678 6.882 1 T 2.231e+05 0.00e+00 a 0 180 187 0 1900 8.701 6.699 1 T 9.467e+04 0.00e+00 a 0 343 138 0 1901 8.722 6.699 1 T 8.814e+04 0.00e+00 a 0 316 138 0 1902 8.722 6.517 1 T 5.138e+04 0.00e+00 a 0 316 139 0 1903 8.702 6.516 1 T 5.465e+04 0.00e+00 a 0 343 139 0 1905 8.216 6.277 1 T 1.904e+04 0.00e+00 a 0 591 390 0 1906 8.231 5.822 1 T 7.227e+04 0.00e+00 a 0 166 561 0 1907 8.559 5.820 1 T 4.703e+04 0.00e+00 a 0 559 561 0 1908 8.899 5.821 1 T 2.658e+05 0.00e+00 a 0 580 561 0 1909 8.674 5.823 1 T 2.878e+04 0.00e+00 a 0 180 561 0 1910 6.884 5.823 1 T 3.249e+04 0.00e+00 a 0 187 561 0 1911 1.008 5.822 1 T 1.899e+05 0.00e+00 a 0 372 561 0 1912 0.711 5.824 1 T 4.732e+04 0.00e+00 a 0 546 561 0 1915 5.430 5.584 1 T 3.665e+04 0.00e+00 a 0 720 701 0 1916 6.640 5.432 1 T 7.734e+04 0.00e+00 a 0 188 720 0 1917 7.530 5.585 1 T 5.192e+04 0.00e+00 a 0 699 701 0 1918 8.172 5.429 1 T 2.925e+04 0.00e+00 a 0 748 720 0 1919 8.594 5.431 1 T 2.125e+05 0.00e+00 a 0 729 720 0 1920 9.062 5.586 1 T 8.031e+04 0.00e+00 a 0 426 701 0 1921 9.466 5.584 1 T 2.614e+05 0.00e+00 a 0 718 701 0 1922 9.468 5.429 1 T 6.570e+04 0.00e+00 a 0 718 720 0 1925 5.007 1.164 1 T 2.335e+04 0.00e+00 a 0 689 570 0 1927 4.802 0.753 1 T 4.102e+04 0.00e+00 a 0 133 122 0 1929 4.329 2.028 1 T 9.882e+04 0.00e+00 a 0 217 223 0 1930 4.317 2.035 1 T 1.136e+05 0.00e+00 a 0 206 224 0 1931 4.316 2.028 1 T 1.030e+05 0.00e+00 a 0 206 223 0 1932 3.880 0.772 1 T 3.792e+04 0.00e+00 a 0 227 282 0 1933 4.042 0.752 1 T 3.833e+04 0.00e+00 a 0 345 122 0 1934 4.042 0.710 1 T 2.830e+04 0.00e+00 a 0 408 546 0 1936 3.623 0.979 1 T 4.447e+04 0.00e+00 a 0 157 564 0 1937 3.469 3.714 1 T 4.056e+05 0.00e+00 a 0 170 168 0 1938 3.481 3.881 1 T 4.141e+05 0.00e+00 a 0 226 227 0 1939 3.186 3.537 1 T 3.190e+05 0.00e+00 a 0 328 329 0 1940 2.807 3.623 1 T 7.266e+04 0.00e+00 a 0 209 157 0 1942 2.625 3.587 1 T 1.475e+05 0.00e+00 a 0 420 417 0 1943 2.648 3.430 1 T 1.315e+05 0.00e+00 a 0 585 584 0 1944 2.520 3.349 1 T 2.620e+04 0.00e+00 a 0 483 419 0 1945 2.546 3.480 1 T 5.296e+04 0.00e+00 a 0 208 226 0 1946 2.625 3.347 1 T 2.011e+05 0.00e+00 a 0 420 419 0 1948 2.774 3.430 1 T 3.512e+04 0.00e+00 a 0 160 584 0 1950 2.807 3.481 1 T 4.604e+04 0.00e+00 a 0 209 226 0 1951 2.785 3.364 1 T 1.757e+05 0.00e+00 a 0 723 722 0 1952 2.969 3.376 1 T 2.361e+05 0.00e+00 a 0 638 639 0 1953 2.302 3.481 1 T 5.228e+04 0.00e+00 a 0 220 226 0 1954 2.035 3.482 1 T 1.758e+05 0.00e+00 a 0 224 226 0 1955 2.024 3.481 1 T 1.503e+05 0.00e+00 a 0 223 226 0 1956 1.988 3.376 1 T 3.405e+04 0.00e+00 a 0 563 639 0 1957 2.010 3.628 1 T 1.050e+05 0.00e+00 a 0 5 3 0 1958 2.016 3.785 1 T 9.585e+04 0.00e+00 a 0 738 731 0 1959 1.744 3.468 1 T 6.108e+04 0.00e+00 a 0 519 170 0 1960 1.722 3.469 1 T 4.216e+04 0.00e+00 a 0 519 170 0 1963 1.008 3.622 1 T 1.539e+05 0.00e+00 a 0 372 157 0 1964 1.028 3.772 1 T 7.522e+04 0.00e+00 a 0 677 668 0 1965 0.971 3.772 1 T 5.907e+04 0.00e+00 a 0 678 668 0 1966 0.874 3.482 1 T 9.578e+04 0.00e+00 a 0 273 226 0 1967 0.710 3.623 1 T 1.378e+05 0.00e+00 a 0 546 157 0 1968 0.387 3.586 1 T 7.626e+04 0.00e+00 a 0 573 417 0 1969 5.431 0.542 1 T 2.508e+04 0.00e+00 a 0 720 671 0 1971 3.375 0.978 1 T 1.779e+05 0.00e+00 a 0 639 564 0 1972 3.348 0.978 1 T 1.876e+05 0.00e+00 a 0 419 564 0 1973 3.184 0.872 1 T 2.331e+04 0.00e+00 a 0 328 273 0 1974 2.970 0.979 1 T 5.355e+04 0.00e+00 a 0 638 564 0 1979 0.817 1.069 1 T 8.780e+04 0.00e+00 a 0 571 397 0 1980 2.028 0.772 1 T 1.454e+05 0.00e+00 a 0 223 282 0 1981 4.803 0.711 1 T 4.813e+04 0.00e+00 a 0 133 546 0 1983 3.469 0.975 1 T 4.884e+04 0.00e+00 a 0 170 564 0 1984 2.822 1.304 1 T 1.938e+05 0.00e+00 a 0 532 525 0 1989 3.469 1.303 1 T 2.819e+04 0.00e+00 a 0 170 524 0 1994 0.387 1.989 1 T 1.249e+05 0.00e+00 a 0 573 563 0 1995 0.659 1.613 1 T 4.838e+04 0.00e+00 a 0 171 529 0 1996 0.710 1.548 1 T 1.204e+05 0.00e+00 a 0 546 94 0 1997 0.709 1.473 1 T 9.889e+04 0.00e+00 a 0 546 99 0 1998 1.007 1.791 1 T 2.766e+05 0.00e+00 a 0 372 545 0 2000 3.238 1.791 1 T 3.112e+04 0.00e+00 a 0 409 545 0 2001 8.898 7.765 1 T 4.692e+04 0.00e+00 a 0 580 634 0 2002 8.216 7.765 1 T 4.412e+04 0.00e+00 a 0 591 634 0 2005 2.027 7.959 1 T 4.770e+04 0.00e+00 a 0 223 648 0 2006 9.065 9.463 1 T 2.060e+04 0.00e+00 a 0 426 718 0 2007 0.545 9.064 1 T 3.620e+04 0.00e+00 a 0 671 426 0 2009 8.898 3.928 1 T 2.538e+04 0.00e+00 a 0 580 371 0 2010 8.897 8.229 1 T 3.308e+04 0.00e+00 a 0 580 166 0 2011 8.897 8.216 1 T 2.953e+04 0.00e+00 a 0 580 591 0 2012 0.817 8.667 1 T 3.636e+04 0.00e+00 a 0 571 415 0 2014 8.411 8.150 1 T 6.179e+04 0.00e+00 a 0 379 369 0 2015 8.593 8.173 1 T 7.964e+04 0.00e+00 a 0 729 748 0 2016 8.677 8.229 1 T 6.931e+04 0.00e+00 a 0 180 166 0 2018 8.351 7.954 1 T 3.985e+04 0.00e+00 a 0 90 117 0 2019 8.441 7.864 1 T 5.715e+04 0.00e+00 a 0 515 541 0 2020 8.337 7.887 1 T 5.603e+04 0.00e+00 a 0 155 131 0 2021 8.144 7.881 1 T 9.400e+04 0.00e+00 a 0 404 394 0 2024 7.864 0.660 1 T 8.284e+04 0.00e+00 a 0 541 171 0 2025 7.864 0.710 1 T 6.091e+05 0.00e+00 a 0 541 546 0 2026 7.887 0.751 1 T 1.230e+05 0.00e+00 a 0 131 122 0 2027 7.954 0.752 1 T 6.890e+04 0.00e+00 a 0 117 122 0 2028 7.954 0.710 1 T 3.501e+04 0.00e+00 a 0 117 546 0 2029 7.887 0.709 1 T 4.174e+05 0.00e+00 a 0 131 546 0 2030 9.024 7.779 1 T 3.710e+04 0.00e+00 a 0 452 489 0 2032 9.250 7.530 1 T 4.111e+04 0.00e+00 a 0 666 699 0 2033 7.447 3.907 1 T 4.633e+04 0.00e+00 a 0 289 244 0 2034 3.908 7.448 1 T 2.157e+04 0.00e+00 a 0 244 289 0 2035 7.447 3.795 1 T 3.532e+04 0.00e+00 a 0 289 233 0 2038 0.448 7.075 1 T 2.377e+05 0.00e+00 a 0 680 777 0 2039 0.541 7.076 1 T 1.721e+05 0.00e+00 a 0 671 777 0 2040 2.028 6.952 1 T 3.383e+04 0.00e+00 a 0 223 268 0 2042 2.851 6.517 1 T 1.560e+05 0.00e+00 a 0 361 139 0 2046 4.599 4.888 1 T 1.810e+06 0.00e+00 a 0 543 406 0 2049 4.292 2.075 1 T 3.080e+04 0.00e+00 a 0 318 321 0 2050 4.252 1.722 1 T 4.492e+05 0.00e+00 a 0 517 519 0 2051 0.710 4.252 1 T 8.199e+04 0.00e+00 a 0 546 517 0 2052 0.660 4.252 1 T 3.544e+04 0.00e+00 a 0 171 517 0 2053 2.244 4.162 1 T 2.744e+05 0.00e+00 a 0 0 182 0 2054 1.945 4.148 1 T 6.219e+05 0.00e+00 a 0 272 270 0 2055 1.303 4.148 1 T 1.106e+05 0.00e+00 a 0 280 270 0 2056 1.183 4.162 1 T 2.147e+05 0.00e+00 a 0 184 182 0 2057 1.169 4.148 1 T 2.014e+05 0.00e+00 a 0 279 270 0 2058 0.874 4.147 1 T 1.424e+05 0.00e+00 a 0 273 270 0 2059 0.773 4.148 1 T 5.164e+05 0.00e+00 a 0 282 270 0 2060 3.070 4.076 1 T 3.294e+05 0.00e+00 a 0 603 593 0 2061 4.076 3.069 1 T 1.847e+05 0.00e+00 a 0 593 603 0 2062 4.043 1.479 1 T 1.337e+05 0.00e+00 a 0 345 355 0 2063 4.043 1.618 1 T 1.770e+05 0.00e+00 a 0 345 349 0 2064 4.041 3.353 1 T 1.986e+04 0.00e+00 a 0 491 419 0 2065 3.237 4.043 1 T 1.251e+05 0.00e+00 a 0 409 408 0 2068 3.707 3.987 1 T 3.424e+05 0.00e+00 a 0 121 119 0 2069 1.006 3.987 1 T 4.740e+04 0.00e+00 a 0 372 119 0 2070 1.008 3.928 1 T 3.224e+05 0.00e+00 a 0 372 371 0 2071 1.158 4.043 1 T 2.230e+05 0.00e+00 a 0 353 345 0 2072 0.752 3.988 1 T 4.894e+05 0.00e+00 a 0 122 119 0 2073 3.936 1.440 1 T 2.138e+05 0.00e+00 a 0 428 436 0 2074 0.542 3.764 1 T 2.752e+05 0.00e+00 a 0 671 668 0 2075 0.448 3.761 1 T 3.019e+05 0.00e+00 a 0 680 668 0 2076 1.407 3.782 1 T 3.244e+05 0.00e+00 a 0 623 620 0 2077 1.440 3.768 1 T 2.224e+05 0.00e+00 a 0 670 668 0 2078 1.610 3.781 1 T 5.014e+05 0.00e+00 a 0 622 620 0 2079 1.886 3.785 1 T 5.467e+05 0.00e+00 a 0 734 731 0 2080 1.922 3.785 1 T 5.258e+05 0.00e+00 a 0 737 731 0 2081 1.905 3.782 1 T 7.216e+05 0.00e+00 a 0 627 620 0 2082 1.909 3.788 1 T 6.722e+05 0.00e+00 a 0 775 772 0 2083 3.788 2.785 1 T 2.883e+05 0.00e+00 a 0 772 774 0 2084 0.752 3.707 1 T 5.540e+05 0.00e+00 a 0 122 121 0 2085 0.660 3.713 1 T 6.155e+05 0.00e+00 a 0 171 168 0 2086 3.537 2.073 1 T 4.773e+04 0.00e+00 a 0 329 321 0 2087 0.659 3.468 1 T 3.244e+05 0.00e+00 a 0 171 170 0 2090 0.772 3.481 1 T 3.084e+04 0.00e+00 a 0 282 226 0 2092 3.481 2.028 1 T 1.670e+05 0.00e+00 a 0 226 223 0 2093 0.977 3.376 1 T 8.164e+04 0.00e+00 a 0 564 639 0 2094 0.388 3.376 1 T 3.257e+04 0.00e+00 a 0 573 639 0 2095 3.375 0.388 1 T 9.514e+04 0.00e+00 a 0 639 573 0 2096 0.978 3.364 1 T 8.728e+04 0.00e+00 a 0 564 722 0 2097 0.978 3.348 1 T 8.132e+04 0.00e+00 a 0 564 419 0 2099 2.399 3.095 1 T 1.653e+05 0.00e+00 a 0 656 655 0 2100 2.437 2.850 1 T 3.987e+05 0.00e+00 a 0 135 136 0 2102 2.809 1.229 1 T 1.634e+05 0.00e+00 a 0 302 293 0 2103 2.809 1.300 1 T 1.980e+05 0.00e+00 a 0 302 294 0 2104 1.443 2.732 1 T 2.695e+05 0.00e+00 a 0 435 442 0 2105 2.682 1.440 1 T 1.865e+05 0.00e+00 a 0 443 436 0 2106 2.732 1.440 1 T 1.900e+05 0.00e+00 a 0 442 436 0 2107 2.133 2.657 1 T 2.926e+05 0.00e+00 a 0 691 692 0 2108 1.443 2.683 1 T 1.899e+05 0.00e+00 a 0 435 443 0 2109 1.732 2.373 1 T 3.602e+05 0.00e+00 a 0 457 468 0 2110 2.303 1.436 1 T 7.962e+04 0.00e+00 a 0 469 464 0 2111 2.303 1.343 1 T 6.145e+04 0.00e+00 a 0 469 460 0 2112 2.303 1.248 1 T 3.849e+04 0.00e+00 a 0 469 461 0 2113 2.303 2.028 1 T 1.863e+05 0.00e+00 a 0 220 223 0 2114 2.028 2.303 1 T 2.640e+05 0.00e+00 a 0 223 220 0 2115 1.182 2.244 1 T 2.613e+05 0.00e+00 a 0 184 185 0 2116 1.777 2.303 1 T 5.615e+05 0.00e+00 a 0 219 220 0 2117 1.124 2.087 1 T 1.186e+05 0.00e+00 a 0 497 494 0 2118 1.180 2.087 1 T 1.085e+05 0.00e+00 a 0 498 494 0 2119 1.860 2.086 1 T 6.066e+05 0.00e+00 a 0 493 494 0 2120 1.886 2.014 1 T 6.047e+05 0.00e+00 a 0 734 738 0 2121 2.014 1.922 1 T 1.185e+06 0.00e+00 a 0 738 737 0 2122 2.015 1.886 1 T 5.674e+05 0.00e+00 a 0 738 734 0 2123 2.028 1.776 1 T 2.639e+05 0.00e+00 a 0 223 219 0 2124 2.028 0.874 1 T 9.827e+04 0.00e+00 a 0 223 273 0 2125 0.978 1.988 1 T 1.782e+05 0.00e+00 a 0 564 563 0 2126 1.163 1.987 1 T 9.006e+04 0.00e+00 a 0 570 563 0 2127 1.169 1.944 1 T 1.461e+05 0.00e+00 a 0 279 272 0 2128 1.303 1.943 1 T -1.170e+03 0.00e+00 a 0 280 272 0 2129 1.680 1.958 1 T 4.386e+05 0.00e+00 a 0 440 432 0 2130 0.873 1.944 1 T 2.134e+05 0.00e+00 a 0 273 272 0 2131 0.772 1.945 1 T 2.964e+05 0.00e+00 a 0 282 272 0 2132 1.610 1.905 1 T 7.233e+05 0.00e+00 a 0 622 627 0 2133 1.922 1.725 1 T 6.184e+05 0.00e+00 a 0 737 733 0 2134 1.872 1.858 1 T 1.670e+07 0.00e+00 a 0 23 24 0 2135 1.922 1.885 1 T 4.653e+06 0.00e+00 a 0 737 734 0 2136 1.860 1.612 1 T 1.895e+05 0.00e+00 a 0 493 501 0 2138 0.711 1.792 1 T 6.273e+05 0.00e+00 a 0 546 545 0 2139 1.743 1.303 1 T 2.125e+05 0.00e+00 a 0 519 525 0 2141 1.722 1.304 1 T 2.584e+05 0.00e+00 a 0 520 525 0 2142 1.733 1.293 1 T 1.869e+05 0.00e+00 a 0 43 47 0 2143 1.731 1.343 1 T 2.125e+05 0.00e+00 a 0 457 460 0 2144 1.731 1.436 1 T 1.984e+05 0.00e+00 a 0 457 464 0 2145 1.731 1.501 1 T 2.559e+05 0.00e+00 a 0 457 465 0 2147 1.735 1.577 1 T 1.143e+06 0.00e+00 a 0 595 601 0 2148 1.733 1.566 1 T 7.592e+05 0.00e+00 a 0 43 51 0 2149 1.743 1.612 1 T 1.088e+06 0.00e+00 a 0 519 529 0 2150 1.722 1.612 1 T 1.648e+06 0.00e+00 a 0 520 529 0 2151 1.743 1.722 1 T 1.182e+07 0.00e+00 a 0 519 520 0 2152 1.722 1.743 1 T 1.001e+07 0.00e+00 a 0 520 519 0 2153 1.685 1.735 1 T 4.428e+06 0.00e+00 a 0 596 595 0 2154 1.594 1.715 1 T 1.559e+06 0.00e+00 a 0 256 247 0 2155 1.612 1.722 1 T 1.477e+06 0.00e+00 a 0 529 520 0 2156 1.612 1.743 1 T 8.703e+05 0.00e+00 a 0 529 519 0 2157 1.576 1.735 1 T 7.973e+05 0.00e+00 a 0 601 595 0 2158 1.577 1.735 1 T 7.973e+05 0.00e+00 a 0 601 595 0 2159 1.566 1.733 1 T 7.474e+05 0.00e+00 a 0 51 44 0 2160 1.576 1.685 1 T 1.417e+06 0.00e+00 a 0 601 596 0 2161 1.577 1.685 1 T 1.709e+06 0.00e+00 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0.00e+00 a 0 440 436 0 2181 1.612 1.125 1 T 1.626e+05 0.00e+00 a 0 501 497 0 2182 1.618 1.158 1 T 2.488e+05 0.00e+00 a 0 349 353 0 2183 1.619 1.158 1 T 2.488e+05 0.00e+00 a 0 349 353 0 2184 1.612 1.179 1 T 2.961e+05 0.00e+00 a 0 501 498 0 2185 1.620 1.216 1 T 3.591e+05 0.00e+00 a 0 78 73 0 2186 1.620 1.267 1 T 4.196e+05 0.00e+00 a 0 78 72 0 2187 1.611 1.304 1 T 5.142e+05 0.00e+00 a 0 529 525 0 2188 1.610 1.407 1 T 8.307e+05 0.00e+00 a 0 622 623 0 2189 1.618 1.479 1 T 1.389e+06 0.00e+00 a 0 349 355 0 2190 1.619 1.479 1 T 1.389e+06 0.00e+00 a 0 349 355 0 2191 1.619 1.478 1 T 1.262e+06 0.00e+00 a 0 349 357 0 2192 1.618 1.478 1 T 1.262e+06 0.00e+00 a 0 349 357 0 2193 1.620 1.566 1 T 9.755e+06 0.00e+00 a 0 50 51 0 2194 1.620 1.560 1 T 6.840e+06 0.00e+00 a 0 78 69 0 2195 1.566 1.620 1 T 7.311e+06 0.00e+00 a 0 51 50 0 2196 1.560 1.620 1 T 7.311e+06 0.00e+00 a 0 70 78 0 2197 1.499 1.612 1 T 1.235e+06 0.00e+00 a 0 502 501 0 2198 1.304 1.612 1 T 5.407e+05 0.00e+00 a 0 525 529 0 2199 1.267 1.620 1 T 6.335e+05 0.00e+00 a 0 72 78 0 2200 1.593 1.189 1 T 4.310e+05 0.00e+00 a 0 256 252 0 2201 1.567 1.293 1 T 6.782e+05 0.00e+00 a 0 51 47 0 2203 1.560 1.267 1 T 4.654e+05 0.00e+00 a 0 70 72 0 2205 1.567 1.244 1 T 5.571e+05 0.00e+00 a 0 51 46 0 2206 1.559 1.216 1 T 7.140e+05 0.00e+00 a 0 70 73 0 2208 1.501 1.342 1 T 8.951e+05 0.00e+00 a 0 465 460 0 2209 1.435 1.342 1 T 1.530e+06 0.00e+00 a 0 464 460 0 2210 1.436 1.248 1 T 2.656e+05 0.00e+00 a 0 464 461 0 2211 1.485 1.189 1 T 9.786e+05 0.00e+00 a 0 246 252 0 2213 1.479 1.158 1 T 9.583e+05 0.00e+00 a 0 357 353 0 2215 1.499 1.180 1 T 1.020e+06 0.00e+00 a 0 502 498 0 2216 1.342 1.248 1 T 1.336e+06 0.00e+00 a 0 460 461 0 2217 1.550 1.470 1 T 3.415e+06 0.00e+00 a 0 94 99 0 2218 1.563 1.477 1 T 2.993e+06 0.00e+00 a 0 325 324 0 2220 1.501 1.436 1 T 7.238e+06 0.00e+00 a 0 465 464 0 2225 1.436 1.501 1 T 5.332e+06 0.00e+00 a 0 464 465 0 2226 1.417 1.470 1 T 6.955e+06 0.00e+00 a 0 98 99 0 2227 1.416 1.550 1 T 1.109e+06 0.00e+00 a 0 98 94 0 2228 1.470 1.550 1 T 3.431e+06 0.00e+00 a 0 99 94 0 2229 1.477 1.563 1 T 2.833e+06 0.00e+00 a 0 324 325 0 2230 1.342 1.501 1 T 9.089e+05 0.00e+00 a 0 460 465 0 2231 1.343 1.436 1 T 1.356e+06 0.00e+00 a 0 460 464 0 2232 1.293 1.566 1 T 7.404e+05 0.00e+00 a 0 47 51 0 2233 1.267 1.559 1 T 6.787e+05 0.00e+00 a 0 72 70 0 2234 1.244 1.566 1 T 8.091e+05 0.00e+00 a 0 46 51 0 2235 1.247 1.501 1 T 4.471e+05 0.00e+00 a 0 461 465 0 2236 1.248 1.436 1 T 3.300e+05 0.00e+00 a 0 461 464 0 2237 1.216 1.559 1 T 7.054e+05 0.00e+00 a 0 73 70 0 2238 1.188 1.485 1 T 9.576e+05 0.00e+00 a 0 252 246 0 2239 1.179 1.499 1 T 1.118e+06 0.00e+00 a 0 498 502 0 2241 1.158 1.478 1 T 7.963e+05 0.00e+00 a 0 353 357 0 2242 1.125 1.499 1 T 6.117e+05 0.00e+00 a 0 497 502 0 2243 1.125 1.612 1 T 1.577e+05 0.00e+00 a 0 497 501 0 2244 1.028 1.439 1 T 1.560e+05 0.00e+00 a 0 677 670 0 2245 0.972 1.440 1 T 1.171e+05 0.00e+00 a 0 678 670 0 2246 0.978 1.165 1 T 1.672e+05 0.00e+00 a 0 564 570 0 2247 1.028 0.972 1 T 1.744e+06 0.00e+00 a 0 677 678 0 2249 1.164 0.978 1 T 2.415e+05 0.00e+00 a 0 570 564 0 2250 1.165 0.818 1 T 2.518e+05 0.00e+00 a 0 570 571 0 2251 0.388 1.164 1 T 1.358e+05 0.00e+00 a 0 573 570 0 2252 0.388 0.978 1 T 4.498e+05 0.00e+00 a 0 573 564 0 2253 0.449 0.972 1 T 8.871e+04 0.00e+00 a 0 680 678 0 2254 0.448 1.027 1 T 7.651e+04 0.00e+00 a 0 680 677 0 2255 0.388 0.818 1 T 2.261e+05 0.00e+00 a 0 573 571 0 2256 0.541 0.972 1 T 1.014e+05 0.00e+00 a 0 671 678 0 2257 0.540 1.027 1 T 6.457e+04 0.00e+00 a 0 671 677 0 2258 0.660 0.977 1 T 5.621e+04 0.00e+00 a 0 171 564 0 2260 0.773 0.874 1 T 6.869e+05 0.00e+00 a 0 282 273 0 2261 0.773 1.303 1 T 7.245e+04 0.00e+00 a 0 282 280 0 2262 0.874 1.302 1 T 2.028e+05 0.00e+00 a 0 273 280 0 2263 0.817 1.164 1 T 2.531e+05 0.00e+00 a 0 571 570 0 2264 0.873 1.169 1 T 3.097e+05 0.00e+00 a 0 273 279 0 2266 0.773 1.168 1 T 2.464e+05 0.00e+00 a 0 282 279 0 2267 1.125 1.179 1 T 2.227e+06 0.00e+00 a 0 497 498 0 2268 1.303 1.168 1 T 5.673e+05 0.00e+00 a 0 280 279 0 2269 1.300 1.229 1 T 3.650e+06 0.00e+00 a 0 294 293 0 2273 1.188 1.715 1 T 1.620e+05 0.00e+00 a 0 252 247 0 2274 1.179 1.612 1 T 2.980e+05 0.00e+00 a 0 498 501 0 2276 1.158 1.618 1 T 2.267e+05 0.00e+00 a 0 353 349 0 2278 1.189 1.594 1 T 4.742e+05 0.00e+00 a 0 252 255 0 2281 1.216 1.620 1 T 3.659e+05 0.00e+00 a 0 73 78 0 2282 1.124 1.860 1 T 1.356e+05 0.00e+00 a 0 497 493 0 2283 1.179 1.860 1 T 1.216e+05 0.00e+00 a 0 498 493 0 2285 8.352 4.111 1 T 2.657e+05 0.00e+00 a 0 90 40 0 2286 8.352 4.085 1 T 5.725e+05 0.00e+00 a 0 90 66 0 2288 6.700 3.989 1 T 5.346e+04 0.00e+00 a 0 138 119 0 2289 8.246 2.301 1 T 2.089e+04 0.00e+00 a 0 242 220 0 2290 4.151 8.720 1 T 1.792e+04 0.00e+00 a 0 270 316 0 2291 7.881 3.928 1 T 8.032e+04 0.00e+00 a 0 394 371 0 2292 8.411 8.894 1 T 2.179e+04 0.00e+00 a 0 379 580 0 2293 6.900 0.388 1 T 5.233e+04 0.00e+00 a 0 651 573 0 2294 1.267 8.352 1 T 3.601e+04 0.00e+00 a 0 72 90 0 2297 8.337 2.546 1 T 2.979e+04 0.00e+00 a 0 155 208 0 2298 8.440 8.274 1 T 7.824e+04 0.00e+00 a 0 515 478 0 2299 8.150 0.752 1 T 1.581e+04 0.00e+00 a 0 369 122 0 2300 8.150 0.710 1 T 5.289e+04 0.00e+00 a 0 369 546 0 2301 4.834 8.104 1 T 1.674e+04 0.00e+00 a 0 582 618 0 2302 8.556 7.880 1 T 4.576e+04 0.00e+00 a 0 559 394 0 2303 9.064 7.779 1 T 3.120e+04 0.00e+00 a 0 426 489 0 2304 4.887 7.864 1 T 3.572e+04 0.00e+00 a 0 406 541 0 2305 4.715 7.782 1 T 1.783e+04 0.00e+00 a 0 480 489 0 2307 4.122 7.864 1 T 2.883e+04 0.00e+00 a 0 92 541 0 2308 2.649 7.765 1 T 1.630e+04 0.00e+00 a 0 585 634 0 2309 0.388 6.882 1 T 6.768e+04 0.00e+00 a 0 573 187 0 2310 6.882 0.388 1 T 5.278e+04 0.00e+00 a 0 187 573 0 2311 9.251 6.901 1 T 2.261e+04 0.00e+00 a 0 666 651 0 2313 6.639 3.965 1 T 2.442e+04 0.00e+00 a 0 188 752 0 2314 5.010 5.583 1 T 4.949e+04 0.00e+00 a 0 689 701 0 2315 4.888 1.165 1 T 2.178e+04 0.00e+00 a 0 406 570 0 2316 4.329 3.795 1 T 4.154e+04 0.00e+00 a 0 217 233 0 2317 2.970 4.349 1 T 7.293e+04 0.00e+00 a 0 638 636 0 2318 3.587 3.348 1 T 7.616e+04 0.00e+00 a 0 417 419 0 2319 3.537 0.873 1 T 3.528e+04 0.00e+00 a 0 329 273 0 2320 2.812 1.179 1 T 1.030e+05 0.00e+00 a 0 507 498 0 2321 1.183 0.977 1 T 2.190e+05 0.00e+00 a 0 184 564 0 2323 1.722 8.667 1 T 2.149e+04 0.00e+00 a 0 519 415 0 2325 2.785 8.667 1 T 2.713e+04 0.00e+00 a 0 723 415 0 2327 8.669 8.442 1 T 4.281e+04 0.00e+00 a 0 415 515 0 2328 1.906 0.448 1 T 2.339e+05 0.00e+00 a 0 775 680 0 2330 2.134 0.388 1 T 8.516e+04 0.00e+00 a 0 691 573 0 2331 0.389 8.899 1 T 2.233e+04 0.00e+00 a 0 573 580 0 2332 3.623 8.677 1 T 2.379e+04 0.00e+00 a 0 157 180 0 2333 3.364 8.667 1 T 1.248e+05 0.00e+00 a 0 722 415 0 2334 0.537 8.594 1 T 3.327e+04 0.00e+00 a 0 671 729 0 2335 0.444 8.593 1 T 4.027e+04 0.00e+00 a 0 680 729 0 2336 0.390 8.593 1 T 3.262e+04 0.00e+00 a 0 573 729 0 2337 2.545 8.337 1 T 2.275e+04 0.00e+00 a 0 208 155 0 2338 1.072 8.411 1 T 3.572e+04 0.00e+00 a 0 397 379 0 2339 1.790 8.229 1 T 4.991e+04 0.00e+00 a 0 545 166 0 2340 2.657 8.144 1 T 3.135e+04 0.00e+00 a 0 692 404 0 2341 3.069 8.216 1 T 4.404e+04 0.00e+00 a 0 603 591 0 2343 6.954 8.274 1 T 1.765e+04 0.00e+00 a 0 778 478 0 2344 7.096 8.274 1 T 2.360e+04 0.00e+00 a 0 0 478 0 2345 2.399 7.530 1 T 5.986e+04 0.00e+00 a 0 656 699 0 2346 3.096 7.530 1 T 3.624e+04 0.00e+00 a 0 655 699 0 2347 6.900 8.897 1 T 1.526e+04 0.00e+00 a 0 651 580 0 2348 6.882 3.364 1 T 8.830e+04 0.00e+00 a 0 187 722 0 2349 3.364 6.882 1 T 2.162e+05 0.00e+00 a 0 722 187 0 2351 3.946 6.639 1 T 5.358e+04 0.00e+00 a 0 753 188 0 2352 1.685 6.279 1 T 1.847e+04 0.00e+00 a 0 596 390 0 2353 1.734 6.279 1 T 2.282e+04 0.00e+00 a 0 595 390 0 2354 2.625 5.428 1 T 5.306e+04 0.00e+00 a 0 420 720 0 2357 4.291 1.913 1 T 3.821e+04 0.00e+00 a 0 318 320 0 2358 4.161 0.977 1 T 2.774e+04 0.00e+00 a 0 182 564 0 2360 3.987 1.007 1 T 7.562e+04 0.00e+00 a 0 119 372 0 2361 3.929 0.710 1 T 7.570e+04 0.00e+00 a 0 371 546 0 2362 3.935 1.180 1 T 7.748e+04 0.00e+00 a 0 428 498 0 2363 2.906 2.648 1 T 1.200e+05 0.00e+00 a 0 159 585 0 2364 2.906 2.545 1 T 1.043e+05 0.00e+00 a 0 159 208 0 2365 2.648 1.007 1 T 4.342e+04 0.00e+00 a 0 585 372 0 2366 1.649 0.708 1 T 1.229e+05 0.00e+00 a 0 95 546 0 2367 2.657 0.387 1 T 9.700e+04 0.00e+00 a 0 692 573 0 2370 3.468 6.638 1 T 1.071e+05 0.00e+00 a 0 170 188 0 2371 4.039 6.518 1 T 1.108e+05 0.00e+00 a 0 345 139 0 2372 3.703 6.518 1 T 6.621e+04 0.00e+00 a 0 121 139 0 2374 0.830 3.628 1 T 1.121e+05 0.00e+00 a 0 7 3 0 2375 4.288 3.535 1 T 3.376e+04 0.00e+00 a 0 318 329 0 2376 0.537 1.960 1 T 6.620e+04 0.00e+00 a 0 671 432 0 2377 1.953 0.539 1 T 1.061e+05 0.00e+00 a 0 432 671 0 2378 1.678 0.540 1 T 9.146e+04 0.00e+00 a 0 440 671 0 2379 0.544 1.675 1 T 5.876e+04 0.00e+00 a 0 671 440 0 2380 6.515 1.548 1 T 5.825e+04 0.00e+00 a 0 139 94 0 2381 1.549 6.519 1 T 1.760e+05 0.00e+00 a 0 94 139 0 2382 0.386 9.061 1 T 2.863e+04 0.00e+00 a 0 573 426 0 2383 7.098 9.028 1 T 3.376e+04 0.00e+00 a 0 770 452 0 2384 2.776 0.446 1 T 1.610e+05 0.00e+00 a 0 774 680 0 2385 6.953 9.021 1 T 3.997e+04 0.00e+00 a 0 778 452 0 2386 2.788 6.886 1 T 8.167e+04 0.00e+00 a 0 723 187 0 2387 2.242 6.638 1 T 6.168e+04 0.00e+00 a 0 185 188 0 2389 1.724 6.882 1 T 4.281e+04 0.00e+00 a 0 733 187 0 2390 1.182 6.639 1 T 7.024e+04 0.00e+00 a 0 184 188 0 2391 5.429 6.881 1 T 4.206e+04 0.00e+00 a 0 720 187 0 2392 4.161 6.639 1 T 6.918e+04 0.00e+00 a 0 182 188 0 2393 2.303 4.329 1 T 2.636e+05 0.00e+00 a 0 220 217 0 2394 2.032 4.326 1 T 1.616e+05 0.00e+00 a 0 224 217 0 2395 2.031 3.879 1 T 2.494e+05 0.00e+00 a 0 223 227 0 2396 2.303 3.879 1 T 5.775e+04 0.00e+00 a 0 220 227 0 2397 4.110 2.802 1 T 2.936e+04 0.00e+00 a 0 40 55 0 2398 1.616 2.811 1 T 2.146e+05 0.00e+00 a 0 50 55 0 2399 1.564 2.809 1 T 2.296e+05 0.00e+00 a 0 51 55 0 2400 1.293 2.810 1 T 3.800e+05 0.00e+00 a 0 47 55 0 2401 1.245 2.809 1 T 3.634e+05 0.00e+00 a 0 46 55 0 2402 1.732 2.809 1 T 1.794e+05 0.00e+00 a 0 44 55 0 2403 2.810 1.609 1 T 9.132e+04 0.00e+00 a 0 55 50 0 2404 2.810 1.565 1 T 8.829e+04 0.00e+00 a 0 55 51 0 2405 6.825 7.507 1 T 2.685e+05 0.00e+00 a 0 661 662 0 2406 7.509 6.832 1 T 3.095e+05 0.00e+00 a 0 662 661 0 2407 2.519 3.039 1 T 4.755e+05 0.00e+00 a 0 483 482 0 2409 2.404 8.416 1 T 2.125e+04 0.00e+00 a 0 29 38 0 2410 1.620 8.260 1 T 2.030e+05 0.00e+00 a 0 78 64 0 2411 1.215 4.085 1 T 2.171e+05 0.00e+00 a 0 73 66 0 2412 1.267 4.087 1 T 1.268e+05 0.00e+00 a 0 72 66 0 2413 2.852 4.042 1 T 4.549e+04 0.00e+00 a 0 361 345 0 2414 1.158 2.851 1 T 8.000e+04 0.00e+00 a 0 353 361 0 2415 1.478 2.849 1 T 2.621e+05 0.00e+00 a 0 357 361 0 2416 1.619 2.850 1 T 5.198e+04 0.00e+00 a 0 349 361 0 2417 1.692 9.025 1 T 8.654e+04 0.00e+00 a 0 456 452 0 2418 1.610 8.440 1 T 1.359e+05 0.00e+00 a 0 529 515 0 2420 0.451 2.736 1 T 8.752e+04 0.00e+00 a 0 680 711 0 2421 0.540 2.732 1 T 8.347e+04 0.00e+00 a 0 671 711 0 2422 1.722 8.441 1 T 1.790e+05 0.00e+00 a 0 520 515 0 2423 2.438 6.519 1 T 9.410e+04 0.00e+00 a 0 135 139 0 2424 4.044 2.436 1 T 2.722e+04 0.00e+00 a 0 345 135 0 2425 2.401 4.075 1 T 1.352e+05 0.00e+00 a 0 656 593 0 2427 1.724 0.449 1 T 9.240e+04 0.00e+00 a 0 733 680 0 2430 1.887 6.639 1 T 3.566e+04 0.00e+00 a 0 734 188 0 2433 1.247 2.372 1 T 9.333e+04 0.00e+00 a 0 461 468 0 2434 1.248 2.305 1 T 5.817e+04 0.00e+00 a 0 461 469 0 2435 1.344 2.301 1 T 7.587e+04 0.00e+00 a 0 460 469 0 2436 1.342 2.371 1 T 1.133e+05 0.00e+00 a 0 460 468 0 2437 1.436 2.371 1 T 7.569e+04 0.00e+00 a 0 464 468 0 2438 1.436 2.302 1 T 3.694e+04 0.00e+00 a 0 464 469 0 2439 1.505 2.302 1 T 1.290e+05 0.00e+00 a 0 465 469 0 2440 1.502 2.372 1 T 8.282e+04 0.00e+00 a 0 465 468 0 2441 0.540 1.445 1 T 3.758e+05 0.00e+00 a 0 671 670 0 2442 0.450 1.442 1 T 1.861e+05 0.00e+00 a 0 680 670 0 2444 0.539 1.912 1 T 2.463e+05 0.00e+00 a 0 671 775 0 2445 0.451 1.914 1 T 3.718e+05 0.00e+00 a 0 680 775 0 2446 0.449 1.724 1 T 1.189e+05 0.00e+00 a 0 680 733 0 2447 0.540 1.726 1 T 7.159e+04 0.00e+00 a 0 671 733 0 2448 1.225 1.028 1 T 4.175e+05 0.00e+00 a 0 293 298 0 2449 1.296 1.016 1 T 2.032e+05 0.00e+00 a 0 294 299 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 . . 10416.667 Hz . . . 4.70 . . 34028 1 2 . . H 1 H . . 10416.667 Hz . . . 4.70 . . 34028 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 34028 1 stop_ save_