data_31279 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31279 _Entry.Title ; Model Structure of Liraglutide Monomer in Buffer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-20 _Entry.Accession_date 2025-10-20 _Entry.Last_release_date 2026-02-24 _Entry.Original_release_date 2026-02-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Nepomuceno P. A. . . 31279 2 J. Aramini J. M. . . 31279 3 Y. Su Y. . . . 31279 4 G. Liu G. . . . 31279 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GLP-1 agonist' . 31279 HORMONE . 31279 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31279 spectral_peak_list 1 31279 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 116 31279 '1H chemical shifts' 227 31279 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-10-29 . original BMRB . 31279 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9YT1 'BMRB Entry Tracking System' 31279 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31279 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Investigating the Molecular Mechanism of Liraglutide Oligomerization ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Schroder R. . . . 31279 1 2 N. Hamada N. . . . 31279 1 3 P. Nepomuceno P. A. . . 31279 1 4 M. Li M. . . . 31279 1 5 T. Tucker T. J. . . 31279 1 6 A. Templeton A. C. . . 31279 1 7 W. Wuelfing W. P. . . 31279 1 8 G. Liu G. . . . 31279 1 9 Y. Su Y. . . . 31279 1 10 J. Ling J. . . . 31279 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31279 _Assembly.ID 1 _Assembly.Name 'Glucagon-like peptide 1(7-37)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31279 1 2 unit_2 2 $entity_PLM B A no . . . . . . 31279 1 3 unit_3 3 $entity_GGL C A no . . . . . . 31279 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31279 _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 ; HAEGTFTSDVSSYLEGQAAK EFIAWLVRGRG ; _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 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3387.713 _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 GLP-1(7-37) common 31279 1 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 . HIS . 31279 1 2 . ALA . 31279 1 3 . GLU . 31279 1 4 . GLY . 31279 1 5 . THR . 31279 1 6 . PHE . 31279 1 7 . THR . 31279 1 8 . SER . 31279 1 9 . ASP . 31279 1 10 . VAL . 31279 1 11 . SER . 31279 1 12 . SER . 31279 1 13 . TYR . 31279 1 14 . LEU . 31279 1 15 . GLU . 31279 1 16 . GLY . 31279 1 17 . GLN . 31279 1 18 . ALA . 31279 1 19 . ALA . 31279 1 20 . LYS . 31279 1 21 . GLU . 31279 1 22 . PHE . 31279 1 23 . ILE . 31279 1 24 . ALA . 31279 1 25 . TRP . 31279 1 26 . LEU . 31279 1 27 . VAL . 31279 1 28 . ARG . 31279 1 29 . GLY . 31279 1 30 . ARG . 31279 1 31 . GLY . 31279 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 . HIS 1 1 31279 1 . ALA 2 2 31279 1 . GLU 3 3 31279 1 . GLY 4 4 31279 1 . THR 5 5 31279 1 . PHE 6 6 31279 1 . THR 7 7 31279 1 . SER 8 8 31279 1 . ASP 9 9 31279 1 . VAL 10 10 31279 1 . SER 11 11 31279 1 . SER 12 12 31279 1 . TYR 13 13 31279 1 . LEU 14 14 31279 1 . GLU 15 15 31279 1 . GLY 16 16 31279 1 . GLN 17 17 31279 1 . ALA 18 18 31279 1 . ALA 19 19 31279 1 . LYS 20 20 31279 1 . GLU 21 21 31279 1 . PHE 22 22 31279 1 . ILE 23 23 31279 1 . ALA 24 24 31279 1 . TRP 25 25 31279 1 . LEU 26 26 31279 1 . VAL 27 27 31279 1 . ARG 28 28 31279 1 . GLY 29 29 31279 1 . ARG 30 30 31279 1 . GLY 31 31 31279 1 stop_ save_ save_entity_PLM _Entity.Sf_category entity _Entity.Sf_framecode entity_PLM _Entity.Entry_ID 31279 _Entity.ID 2 _Entity.BMRB_code PLM _Entity.Name entity_PLM _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 PLM _Entity.Nonpolymer_comp_label $chem_comp_PLM _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 256.424 _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 'PALMITIC ACID' BMRB 31279 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PALMITIC ACID' BMRB 31279 2 PLM 'Three letter code' 31279 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 PLM $chem_comp_PLM 31279 2 stop_ save_ save_entity_GGL _Entity.Sf_category entity _Entity.Sf_framecode entity_GGL _Entity.Entry_ID 31279 _Entity.ID 3 _Entity.BMRB_code GGL _Entity.Name entity_GGL _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 GGL _Entity.Nonpolymer_comp_label $chem_comp_GGL _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 147.129 _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 'GAMMA-L-GLUTAMIC ACID' BMRB 31279 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'GAMMA-L-GLUTAMIC ACID' BMRB 31279 3 GGL 'Three letter code' 31279 3 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 GGL $chem_comp_GGL 31279 3 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 31279 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 31279 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 31279 _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' . . . . . . . . . . . . . . . . 31279 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GGL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GGL _Chem_comp.Entry_ID 31279 _Chem_comp.ID GGL _Chem_comp.Provenance PDB _Chem_comp.Name 'GAMMA-L-GLUTAMIC ACID' _Chem_comp.Type 'L-GAMMA-PEPTIDE, C-DELTA LINKING' _Chem_comp.BMRB_code GGL _Chem_comp.PDB_code GGL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code E _Chem_comp.Three_letter_code GGL _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'L-GLUTAMIC ACID' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O4' _Chem_comp.Formula_weight 147.129 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _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 C(CC(=O)O)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.2 31279 GGL C(CC(=O)O)[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 31279 GGL InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI InChI 1.03 31279 GGL N[C@@H](CCC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.370 31279 GGL N[CH](CCC(O)=O)C(O)=O SMILES CACTVS 3.370 31279 GGL O=C(O)C(N)CCC(=O)O SMILES ACDLabs 12.01 31279 GGL WHUUTDBJXJRKMK-VKHMYHEASA-N InChIKey InChI 1.03 31279 GGL 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 '(2S)-2-azanylpentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 31279 GGL 'L-glutamic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 31279 GGL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 88.261 . -7.660 . -9.990 . 1.199 1.867 -0.117 1 . 31279 GGL CA CA CA CA . C . . S 0 . . . 1 N N . . . . 87.744 . -7.276 . -11.334 . 1.138 0.515 0.453 2 . 31279 GGL C C C C . C . . N 0 . . . 1 N N . . . . 88.474 . -6.030 . -11.811 . 2.364 -0.260 0.041 3 . 31279 GGL O O O O . O . . N 0 . . . 1 N N . . . . 88.969 . -5.292 . -10.943 . 3.010 0.096 -0.916 4 . 31279 GGL CB CB CB CB . C . . N 0 . . . 1 N N . . . . 86.234 . -7.012 . -11.267 . -0.113 -0.200 -0.062 5 . 31279 GGL CG CG CG CG . C . . N 0 . . . 1 N N . . . . 85.437 . -8.194 . -10.746 . -1.360 0.517 0.461 6 . 31279 GGL CD CD CD CD . C . . N 0 . . . 1 N N . . . . 83.937 . -7.944 . -10.707 . -2.593 -0.187 -0.046 7 . 31279 GGL OE1 OE1 OE1 OE1 . O . . N 0 . . . 1 N N . . . . 83.425 . -7.140 . -11.520 . -2.485 -1.161 -0.753 8 . 31279 GGL OE2 OE2 OE2 OE2 . O . . N 0 . . . 1 N Y . . . . 83.260 . -8.567 . -9.862 . -3.811 0.269 0.287 9 . 31279 GGL OXT OXT OXT OXT . O . . N 0 . . . 1 N N . . . . 88.543 . -5.801 . -13.033 . 2.737 -1.345 0.737 10 . 31279 GGL H H H H . H . . N 0 . . . 1 N N . . . . 87.785 . -8.479 . -9.671 . 1.237 1.834 -1.125 11 . 31279 GGL H2 H2 H2 HN2 . H . . N 0 . . . 1 N Y . . . . 89.241 . -7.847 . -10.051 . 0.421 2.427 0.197 12 . 31279 GGL HA HA HA HA . H . . N 0 . . . 1 N N . . . . 87.920 . -8.099 . -12.043 . 1.098 0.580 1.540 13 . 31279 GGL HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 N N . . . . 86.064 . -6.160 . -10.592 . -0.117 -0.187 -1.152 14 . 31279 GGL HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 N N . . . . 85.881 . -6.781 . -12.283 . -0.113 -1.231 0.289 15 . 31279 GGL HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 N N . . . . 85.624 . -9.052 . -11.408 . -1.357 0.504 1.551 16 . 31279 GGL HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 N N . . . . 85.775 . -8.411 . -9.722 . -1.360 1.548 0.109 17 . 31279 GGL HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 N Y . . . . 82.345 . -8.328 . -9.951 . -4.571 -0.215 -0.062 18 . 31279 GGL HXT HXT HXT HXT . H . . N 0 . . . 1 N N . . . . 89.022 . -4.994 . -13.178 . 3.530 -1.809 0.435 19 . 31279 GGL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 31279 GGL 2 . SING N H N N 2 . 31279 GGL 3 . SING N H2 N N 3 . 31279 GGL 4 . SING CA C N N 4 . 31279 GGL 5 . SING CA CB N N 5 . 31279 GGL 6 . SING CA HA N N 6 . 31279 GGL 7 . DOUB C O N N 7 . 31279 GGL 8 . SING C OXT N N 8 . 31279 GGL 9 . SING CB CG N N 9 . 31279 GGL 10 . SING CB HB2 N N 10 . 31279 GGL 11 . SING CB HB3 N N 11 . 31279 GGL 12 . SING CG CD N N 12 . 31279 GGL 13 . SING CG HG2 N N 13 . 31279 GGL 14 . SING CG HG3 N N 14 . 31279 GGL 15 . DOUB CD OE1 N N 15 . 31279 GGL 16 . SING CD OE2 N N 16 . 31279 GGL 17 . SING OE2 HE2 N N 17 . 31279 GGL 18 . SING OXT HXT N N 18 . 31279 GGL stop_ save_ save_chem_comp_PLM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PLM _Chem_comp.Entry_ID 31279 _Chem_comp.ID PLM _Chem_comp.Provenance PDB _Chem_comp.Name 'PALMITIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PLM _Chem_comp.PDB_code PLM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces FAT,PLY _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PLM _Chem_comp.Number_atoms_all 50 _Chem_comp.Number_atoms_nh 18 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C16 H32 O2' _Chem_comp.Formula_weight 256.424 _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 1LIE _Chem_comp.Processing_site PDBJ _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 CCCCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 31279 PLM CCCCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 31279 PLM CCCCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.341 31279 PLM CCCCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 31279 PLM IPCSVZSSVZVIGE-UHFFFAOYSA-N InChIKey InChI 1.03 31279 PLM InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) InChI InChI 1.03 31279 PLM O=C(O)CCCCCCCCCCCCCCC SMILES ACDLabs 10.04 31279 PLM 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 'hexadecanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 31279 PLM 'hexadecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 31279 PLM 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 C1 C1 C1 C1 . C . . N 0 . . . 1 N N . . . . -44.797 . 67.181 . -6.007 . 0.142 0.001 -8.190 1 . 31279 PLM O1 O1 O1 O1 . O . . N 0 . . . 1 N Y . . . . -45.197 . 66.011 . -6.150 . -0.449 -0.004 -9.395 2 . 31279 PLM O2 O2 O2 O2 . O . . N 0 . . . 1 N N . . . . -43.601 . 67.509 . -6.162 . 1.347 0.014 -8.109 3 . 31279 PLM C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . -45.810 . 68.243 . -5.609 . -0.697 -0.007 -6.939 4 . 31279 PLM C3 C3 C3 C3 . C . . N 0 . . . 1 N N . . . . -45.543 . 69.607 . -6.238 . 0.215 0.002 -5.711 5 . 31279 PLM C4 C4 C4 C4 . C . . N 0 . . . 1 N N . . . . -46.461 . 70.654 . -5.622 . -0.636 -0.007 -4.441 6 . 31279 PLM C5 C5 C5 C5 . C . . N 0 . . . 1 N N . . . . -46.177 . 72.051 . -6.141 . 0.276 0.003 -3.214 7 . 31279 PLM C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . -46.910 . 72.314 . -7.437 . -0.576 -0.006 -1.943 8 . 31279 PLM C7 C7 C7 C7 . C . . N 0 . . . 1 N N . . . . -48.412 . 72.321 . -7.219 . 0.337 0.003 -0.716 9 . 31279 PLM C8 C8 C8 C8 . C . . N 0 . . . 1 N N . . . . -49.152 . 72.429 . -8.534 . -0.515 -0.005 0.553 10 . 31279 PLM C9 C9 C9 C9 . C . . N 0 . . . 1 N N . . . . -50.654 . 72.326 . -8.324 . 0.398 0.004 1.781 11 . 31279 PLM CA CA CA CA . C . . N 0 . . . 1 N N . . . . -51.400 . 72.369 . -9.642 . -0.454 -0.005 3.051 12 . 31279 PLM CB CB CB CB . C . . N 0 . . . 1 N N . . . . -51.090 . 71.161 . -10.508 . 0.459 0.005 4.279 13 . 31279 PLM CC CC CC CC . C . . N 0 . . . 1 N N . . . . -51.661 . 71.343 . -11.904 . -0.393 -0.004 5.549 14 . 31279 PLM CD CD CD CD . C . . N 0 . . . 1 N N . . . . -51.577 . 70.068 . -12.725 . 0.520 0.005 6.776 15 . 31279 PLM CE CE CE CE . C . . N 0 . . . 1 N N . . . . -51.979 . 70.319 . -14.179 . -0.332 -0.003 8.047 16 . 31279 PLM CF CF CF CF . C . . N 0 . . . 1 N N . . . . -53.353 . 70.967 . -14.294 . 0.580 0.006 9.274 17 . 31279 PLM CG CG CG CG . C . . N 0 . . . 1 N N . . . . -53.698 . 71.281 . -15.743 . -0.271 -0.003 10.544 18 . 31279 PLM H H H H . H . . N 0 . . . 1 N N . . . . -46.106 . 65.761 . -6.032 . 0.089 0.001 -10.198 19 . 31279 PLM H21 H21 H21 1H2 . H . . N 0 . . . 1 N N . . . . -46.847 . 67.901 . -5.833 . -1.317 -0.904 -6.923 20 . 31279 PLM H22 H22 H22 2H2 . H . . N 0 . . . 1 N N . . . . -45.877 . 68.327 . -4.499 . -1.336 0.875 -6.923 21 . 31279 PLM H31 H31 H31 1H3 . H . . N 0 . . . 1 N N . . . . -44.469 . 69.897 . -6.164 . 0.835 0.899 -5.727 22 . 31279 PLM H32 H32 H32 2H3 . H . . N 0 . . . 1 N N . . . . -45.628 . 69.578 . -7.349 . 0.854 -0.880 -5.727 23 . 31279 PLM H41 H41 H41 1H4 . H . . N 0 . . . 1 N N . . . . -47.532 . 70.382 . -5.765 . -1.256 -0.903 -4.426 24 . 31279 PLM H42 H42 H42 2H4 . H . . N 0 . . . 1 N N . . . . -46.415 . 70.622 . -4.508 . -1.275 0.876 -4.426 25 . 31279 PLM H51 H51 H51 1H5 . H . . N 0 . . . 1 N N . . . . -46.408 . 72.827 . -5.374 . 0.896 0.899 -3.229 26 . 31279 PLM H52 H52 H52 2H5 . H . . N 0 . . . 1 N N . . . . -45.082 . 72.234 . -6.245 . 0.915 -0.880 -3.229 27 . 31279 PLM H61 H61 H61 1H6 . H . . N 0 . . . 1 N N . . . . -46.560 . 73.254 . -7.924 . -1.195 -0.903 -1.928 28 . 31279 PLM H62 H62 H62 2H6 . H . . N 0 . . . 1 N N . . . . -46.612 . 71.590 . -8.232 . -1.214 0.876 -1.928 29 . 31279 PLM H71 H71 H71 1H7 . H . . N 0 . . . 1 N N . . . . -48.745 . 71.434 . -6.631 . 0.956 0.900 -0.731 30 . 31279 PLM H72 H72 H72 2H7 . H . . N 0 . . . 1 N N . . . . -48.720 . 73.122 . -6.507 . 0.976 -0.879 -0.731 31 . 31279 PLM H81 H81 H81 1H8 . H . . N 0 . . . 1 N N . . . . -48.876 . 73.358 . -9.085 . -1.134 -0.902 0.569 32 . 31279 PLM H82 H82 H82 2H8 . H . . N 0 . . . 1 N N . . . . -48.787 . 71.678 . -9.273 . -1.154 0.877 0.569 33 . 31279 PLM H91 H91 H91 1H9 . H . . N 0 . . . 1 N N . . . . -50.922 . 71.420 . -7.731 . 1.017 0.901 1.766 34 . 31279 PLM H92 H92 H92 2H9 . H . . N 0 . . . 1 N N . . . . -51.022 . 73.107 . -7.619 . 1.037 -0.878 1.766 35 . 31279 PLM HA1 HA1 HA1 1HA . H . . N 0 . . . 1 N N . . . . -52.497 . 72.482 . -9.482 . -1.073 -0.901 3.067 36 . 31279 PLM HA2 HA2 HA2 2HA . H . . N 0 . . . 1 N N . . . . -51.202 . 73.320 . -10.188 . -1.093 0.878 3.067 37 . 31279 PLM HB1 HB1 HB1 1HB . H . . N 0 . . . 1 N N . . . . -49.997 . 70.939 . -10.533 . 1.078 0.901 4.263 38 . 31279 PLM HB2 HB2 HB2 2HB . H . . N 0 . . . 1 N N . . . . -51.441 . 70.213 . -10.037 . 1.098 -0.878 4.263 39 . 31279 PLM HC1 HC1 HC1 1HC . H . . N 0 . . . 1 N N . . . . -52.705 . 71.731 . -11.866 . -1.012 -0.901 5.564 40 . 31279 PLM HC2 HC2 HC2 2HC . H . . N 0 . . . 1 N N . . . . -51.174 . 72.196 . -12.431 . -1.032 0.878 5.564 41 . 31279 PLM HD1 HD1 HD1 1HD . H . . N 0 . . . 1 N N . . . . -50.567 . 69.600 . -12.653 . 1.139 0.902 6.761 42 . 31279 PLM HD2 HD2 HD2 2HD . H . . N 0 . . . 1 N N . . . . -52.178 . 69.246 . -12.269 . 1.158 -0.877 6.761 43 . 31279 PLM HE1 HE1 HE1 1HE . H . . N 0 . . . 1 N N . . . . -51.205 . 70.917 . -14.713 . -0.952 -0.900 8.062 44 . 31279 PLM HE2 HE2 HE2 2HE . H . . N 0 . . . 1 N N . . . . -51.924 . 69.381 . -14.779 . -0.971 0.879 8.062 45 . 31279 PLM HF1 HF1 HF1 1HF . H . . N 0 . . . 1 N N . . . . -54.141 . 70.342 . -13.812 . 1.200 0.903 9.259 46 . 31279 PLM HF2 HF2 HF2 2HF . H . . N 0 . . . 1 N N . . . . -53.433 . 71.872 . -13.649 . 1.219 -0.876 9.259 47 . 31279 PLM HG1 HG1 HG1 1HG . H . . N 0 . . . 1 N N . . . . -54.703 . 71.755 . -15.827 . 0.379 0.004 11.419 48 . 31279 PLM HG2 HG2 HG2 2HG . H . . N 0 . . . 1 N N . . . . -52.909 . 71.905 . -16.225 . -0.910 0.880 10.560 49 . 31279 PLM HG3 HG3 HG3 3HG . H . . N 0 . . . 1 N N . . . . -53.617 . 70.375 . -16.388 . -0.891 -0.899 10.560 50 . 31279 PLM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 O1 N N 1 . 31279 PLM 2 . DOUB C1 O2 N N 2 . 31279 PLM 3 . SING C1 C2 N N 3 . 31279 PLM 4 . SING O1 H N N 4 . 31279 PLM 5 . SING C2 C3 N N 5 . 31279 PLM 6 . SING C2 H21 N N 6 . 31279 PLM 7 . SING C2 H22 N N 7 . 31279 PLM 8 . SING C3 C4 N N 8 . 31279 PLM 9 . SING C3 H31 N N 9 . 31279 PLM 10 . SING C3 H32 N N 10 . 31279 PLM 11 . SING C4 C5 N N 11 . 31279 PLM 12 . SING C4 H41 N N 12 . 31279 PLM 13 . SING C4 H42 N N 13 . 31279 PLM 14 . SING C5 C6 N N 14 . 31279 PLM 15 . SING C5 H51 N N 15 . 31279 PLM 16 . SING C5 H52 N N 16 . 31279 PLM 17 . SING C6 C7 N N 17 . 31279 PLM 18 . SING C6 H61 N N 18 . 31279 PLM 19 . SING C6 H62 N N 19 . 31279 PLM 20 . SING C7 C8 N N 20 . 31279 PLM 21 . SING C7 H71 N N 21 . 31279 PLM 22 . SING C7 H72 N N 22 . 31279 PLM 23 . SING C8 C9 N N 23 . 31279 PLM 24 . SING C8 H81 N N 24 . 31279 PLM 25 . SING C8 H82 N N 25 . 31279 PLM 26 . SING C9 CA N N 26 . 31279 PLM 27 . SING C9 H91 N N 27 . 31279 PLM 28 . SING C9 H92 N N 28 . 31279 PLM 29 . SING CA CB N N 29 . 31279 PLM 30 . SING CA HA1 N N 30 . 31279 PLM 31 . SING CA HA2 N N 31 . 31279 PLM 32 . SING CB CC N N 32 . 31279 PLM 33 . SING CB HB1 N N 33 . 31279 PLM 34 . SING CB HB2 N N 34 . 31279 PLM 35 . SING CC CD N N 35 . 31279 PLM 36 . SING CC HC1 N N 36 . 31279 PLM 37 . SING CC HC2 N N 37 . 31279 PLM 38 . SING CD CE N N 38 . 31279 PLM 39 . SING CD HD1 N N 39 . 31279 PLM 40 . SING CD HD2 N N 40 . 31279 PLM 41 . SING CE CF N N 41 . 31279 PLM 42 . SING CE HE1 N N 42 . 31279 PLM 43 . SING CE HE2 N N 43 . 31279 PLM 44 . SING CF CG N N 44 . 31279 PLM 45 . SING CF HF1 N N 45 . 31279 PLM 46 . SING CF HF2 N N 46 . 31279 PLM 47 . SING CG HG1 N N 47 . 31279 PLM 48 . SING CG HG2 N N 48 . 31279 PLM 49 . SING CG HG3 N N 49 . 31279 PLM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31279 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium phosphate, 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 unit_1 . . . 1 $entity_1 . . . . . mM . . . . 31279 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 31279 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 31279 _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' 25 . mM 31279 1 pH 7.4 . pH 31279 1 pressure 1 . atm 31279 1 temperature 308 . K 31279 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31279 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31279 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31279 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31279 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'GUNTERT, MUMENTHALER AND WUTHRICH' . . 31279 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31279 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31279 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W., Tonelli M., Markley J.L.' . . 31279 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31279 3 'peak picking' . 31279 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31279 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Y., Bax, A.' . . 31279 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 31279 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31279 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 31279 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 31279 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 31279 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31279 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31279 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31279 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 31279 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.676 internal indirect 0.251449530 . . . . . 31279 1 H 1 water protons . . . . ppm 4.676 internal direct 1.0 . . . . . 31279 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 31279 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 31279 1 2 '2D 1H-1H NOESY' . . . 31279 1 3 '2D 1H-13C HSQC' . . . 31279 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 HIS HA H 1 3.956 0.020 . 1 . . . . A 1 HIS HA . 31279 1 2 . 1 . 1 1 1 HIS HB2 H 1 3.078 0.020 . 2 . . . . A 1 HIS HB2 . 31279 1 3 . 1 . 1 1 1 HIS HB3 H 1 3.030 0.020 . 2 . . . . A 1 HIS HB3 . 31279 1 4 . 1 . 1 1 1 HIS HD2 H 1 7.018 0.020 . 1 . . . . A 1 HIS HD2 . 31279 1 5 . 1 . 1 1 1 HIS HE1 H 1 7.136 0.020 . 1 . . . . A 1 HIS HE1 . 31279 1 6 . 1 . 1 1 1 HIS CA C 13 56.529 0.400 . 1 . . . . A 1 HIS CA . 31279 1 7 . 1 . 1 1 1 HIS CB C 13 32.594 0.400 . 1 . . . . A 1 HIS CB . 31279 1 8 . 1 . 1 1 1 HIS CD2 C 13 120.119 0.400 . 1 . . . . A 1 HIS CD2 . 31279 1 9 . 1 . 1 1 1 HIS CE1 C 13 138.676 0.400 . 1 . . . . A 1 HIS CE1 . 31279 1 10 . 1 . 1 2 2 ALA HA H 1 4.325 0.020 . 1 . . . . A 2 ALA HA . 31279 1 11 . 1 . 1 2 2 ALA HB1 H 1 1.337 0.020 . 1 . . . . A 2 ALA HB1 . 31279 1 12 . 1 . 1 2 2 ALA HB2 H 1 1.337 0.020 . 1 . . . . A 2 ALA HB2 . 31279 1 13 . 1 . 1 2 2 ALA HB3 H 1 1.337 0.020 . 1 . . . . A 2 ALA HB3 . 31279 1 14 . 1 . 1 2 2 ALA CA C 13 52.455 0.400 . 1 . . . . A 2 ALA CA . 31279 1 15 . 1 . 1 2 2 ALA CB C 13 19.299 0.400 . 1 . . . . A 2 ALA CB . 31279 1 16 . 1 . 1 3 3 GLU H H 1 8.620 0.020 . 1 . . . . A 3 GLU H . 31279 1 17 . 1 . 1 3 3 GLU HA H 1 4.263 0.020 . 1 . . . . A 3 GLU HA . 31279 1 18 . 1 . 1 3 3 GLU HB2 H 1 2.051 0.020 . 2 . . . . A 3 GLU HB2 . 31279 1 19 . 1 . 1 3 3 GLU HB3 H 1 1.948 0.020 . 2 . . . . A 3 GLU HB3 . 31279 1 20 . 1 . 1 3 3 GLU HG2 H 1 2.271 0.020 . 2 . . . . A 3 GLU HG2 . 31279 1 21 . 1 . 1 3 3 GLU HG3 H 1 2.271 0.020 . 2 . . . . A 3 GLU HG3 . 31279 1 22 . 1 . 1 3 3 GLU CA C 13 57.020 0.400 . 1 . . . . A 3 GLU CA . 31279 1 23 . 1 . 1 3 3 GLU CB C 13 30.241 0.400 . 1 . . . . A 3 GLU CB . 31279 1 24 . 1 . 1 3 3 GLU CG C 13 36.368 0.400 . 1 . . . . A 3 GLU CG . 31279 1 25 . 1 . 1 4 4 GLY H H 1 8.419 0.020 . 1 . . . . A 4 GLY H . 31279 1 26 . 1 . 1 4 4 GLY HA2 H 1 3.976 0.020 . 2 . . . . A 4 GLY HA2 . 31279 1 27 . 1 . 1 4 4 GLY HA3 H 1 3.930 0.020 . 2 . . . . A 4 GLY HA3 . 31279 1 28 . 1 . 1 4 4 GLY CA C 13 45.455 0.400 . 1 . . . . A 4 GLY CA . 31279 1 29 . 1 . 1 5 5 THR H H 1 7.893 0.020 . 1 . . . . A 5 THR H . 31279 1 30 . 1 . 1 5 5 THR HA H 1 4.290 0.020 . 1 . . . . A 5 THR HA . 31279 1 31 . 1 . 1 5 5 THR HB H 1 4.100 0.020 . 1 . . . . A 5 THR HB . 31279 1 32 . 1 . 1 5 5 THR HG21 H 1 1.058 0.020 . 1 . . . . A 5 THR HG21 . 31279 1 33 . 1 . 1 5 5 THR HG22 H 1 1.058 0.020 . 1 . . . . A 5 THR HG22 . 31279 1 34 . 1 . 1 5 5 THR HG23 H 1 1.058 0.020 . 1 . . . . A 5 THR HG23 . 31279 1 35 . 1 . 1 5 5 THR CA C 13 61.924 0.400 . 1 . . . . A 5 THR CA . 31279 1 36 . 1 . 1 5 5 THR CB C 13 70.039 0.400 . 1 . . . . A 5 THR CB . 31279 1 37 . 1 . 1 5 5 THR CG2 C 13 21.515 0.400 . 1 . . . . A 5 THR CG2 . 31279 1 38 . 1 . 1 6 6 PHE H H 1 8.318 0.020 . 1 . . . . A 6 PHE H . 31279 1 39 . 1 . 1 6 6 PHE HA H 1 4.650 0.020 . 1 . . . . A 6 PHE HA . 31279 1 40 . 1 . 1 6 6 PHE HB2 H 1 3.083 0.020 . 2 . . . . A 6 PHE HB2 . 31279 1 41 . 1 . 1 6 6 PHE HB3 H 1 2.954 0.020 . 2 . . . . A 6 PHE HB3 . 31279 1 42 . 1 . 1 6 6 PHE HD1 H 1 7.155 0.020 . 1 . . . . A 6 PHE HD1 . 31279 1 43 . 1 . 1 6 6 PHE HD2 H 1 7.155 0.020 . 1 . . . . A 6 PHE HD2 . 31279 1 44 . 1 . 1 6 6 PHE HE1 H 1 7.210 0.020 . 1 . . . . A 6 PHE HE1 . 31279 1 45 . 1 . 1 6 6 PHE HE2 H 1 7.210 0.020 . 1 . . . . A 6 PHE HE2 . 31279 1 46 . 1 . 1 6 6 PHE HZ H 1 7.157 0.020 . 1 . . . . A 6 PHE HZ . 31279 1 47 . 1 . 1 6 6 PHE CB C 13 39.758 0.400 . 1 . . . . A 6 PHE CB . 31279 1 48 . 1 . 1 6 6 PHE CD1 C 13 131.950 0.400 . 3 . . . . A 6 PHE CD1 . 31279 1 49 . 1 . 1 6 6 PHE CE1 C 13 131.276 0.400 . 3 . . . . A 6 PHE CE1 . 31279 1 50 . 1 . 1 6 6 PHE CZ C 13 129.660 0.400 . 1 . . . . A 6 PHE CZ . 31279 1 51 . 1 . 1 7 7 THR H H 1 8.035 0.020 . 1 . . . . A 7 THR H . 31279 1 52 . 1 . 1 7 7 THR HA H 1 4.274 0.020 . 1 . . . . A 7 THR HA . 31279 1 53 . 1 . 1 7 7 THR HB H 1 4.176 0.020 . 1 . . . . A 7 THR HB . 31279 1 54 . 1 . 1 7 7 THR HG21 H 1 1.122 0.020 . 1 . . . . A 7 THR HG21 . 31279 1 55 . 1 . 1 7 7 THR HG22 H 1 1.122 0.020 . 1 . . . . A 7 THR HG22 . 31279 1 56 . 1 . 1 7 7 THR HG23 H 1 1.122 0.020 . 1 . . . . A 7 THR HG23 . 31279 1 57 . 1 . 1 7 7 THR CA C 13 61.857 0.400 . 1 . . . . A 7 THR CA . 31279 1 58 . 1 . 1 7 7 THR CB C 13 69.798 0.400 . 1 . . . . A 7 THR CB . 31279 1 59 . 1 . 1 7 7 THR CG2 C 13 21.630 0.400 . 1 . . . . A 7 THR CG2 . 31279 1 60 . 1 . 1 8 8 SER H H 1 8.153 0.020 . 1 . . . . A 8 SER H . 31279 1 61 . 1 . 1 8 8 SER HA H 1 4.409 0.020 . 1 . . . . A 8 SER HA . 31279 1 62 . 1 . 1 8 8 SER HB2 H 1 3.877 0.020 . 2 . . . . A 8 SER HB2 . 31279 1 63 . 1 . 1 8 8 SER HB3 H 1 3.820 0.020 . 2 . . . . A 8 SER HB3 . 31279 1 64 . 1 . 1 8 8 SER CA C 13 58.701 0.400 . 1 . . . . A 8 SER CA . 31279 1 65 . 1 . 1 8 8 SER CB C 13 63.829 0.400 . 1 . . . . A 8 SER CB . 31279 1 66 . 1 . 1 9 9 ASP H H 1 8.346 0.020 . 1 . . . . A 9 ASP H . 31279 1 67 . 1 . 1 9 9 ASP HA H 1 4.636 0.020 . 1 . . . . A 9 ASP HA . 31279 1 68 . 1 . 1 9 9 ASP HB2 H 1 2.702 0.020 . 2 . . . . A 9 ASP HB2 . 31279 1 69 . 1 . 1 9 9 ASP HB3 H 1 2.650 0.020 . 2 . . . . A 9 ASP HB3 . 31279 1 70 . 1 . 1 9 9 ASP CA C 13 55.903 0.400 . 1 . . . . A 9 ASP CA . 31279 1 71 . 1 . 1 9 9 ASP CB C 13 41.139 0.400 . 1 . . . . A 9 ASP CB . 31279 1 72 . 1 . 1 10 10 VAL H H 1 8.090 0.020 . 1 . . . . A 10 VAL H . 31279 1 73 . 1 . 1 10 10 VAL HA H 1 4.006 0.020 . 1 . . . . A 10 VAL HA . 31279 1 74 . 1 . 1 10 10 VAL HB H 1 2.061 0.020 . 1 . . . . A 10 VAL HB . 31279 1 75 . 1 . 1 10 10 VAL HG11 H 1 0.857 0.020 . 2 . . . . A 10 VAL HG11 . 31279 1 76 . 1 . 1 10 10 VAL HG12 H 1 0.857 0.020 . 2 . . . . A 10 VAL HG12 . 31279 1 77 . 1 . 1 10 10 VAL HG13 H 1 0.857 0.020 . 2 . . . . A 10 VAL HG13 . 31279 1 78 . 1 . 1 10 10 VAL HG21 H 1 0.861 0.020 . 2 . . . . A 10 VAL HG21 . 31279 1 79 . 1 . 1 10 10 VAL HG22 H 1 0.861 0.020 . 2 . . . . A 10 VAL HG22 . 31279 1 80 . 1 . 1 10 10 VAL HG23 H 1 0.861 0.020 . 2 . . . . A 10 VAL HG23 . 31279 1 81 . 1 . 1 10 10 VAL CA C 13 63.494 0.400 . 1 . . . . A 10 VAL CA . 31279 1 82 . 1 . 1 10 10 VAL CB C 13 32.338 0.400 . 1 . . . . A 10 VAL CB . 31279 1 83 . 1 . 1 10 10 VAL CG1 C 13 21.313 0.400 . 2 . . . . A 10 VAL CG1 . 31279 1 84 . 1 . 1 10 10 VAL CG2 C 13 21.036 0.400 . 2 . . . . A 10 VAL CG2 . 31279 1 85 . 1 . 1 11 11 SER H H 1 8.241 0.020 . 1 . . . . A 11 SER H . 31279 1 86 . 1 . 1 11 11 SER HA H 1 4.248 0.020 . 1 . . . . A 11 SER HA . 31279 1 87 . 1 . 1 11 11 SER HB2 H 1 3.871 0.020 . 2 . . . . A 11 SER HB2 . 31279 1 88 . 1 . 1 11 11 SER HB3 H 1 3.828 0.020 . 2 . . . . A 11 SER HB3 . 31279 1 89 . 1 . 1 11 11 SER CA C 13 62.057 0.400 . 1 . . . . A 11 SER CA . 31279 1 90 . 1 . 1 11 11 SER CB C 13 63.450 0.400 . 1 . . . . A 11 SER CB . 31279 1 91 . 1 . 1 12 12 SER H H 1 8.081 0.020 . 1 . . . . A 12 SER H . 31279 1 92 . 1 . 1 12 12 SER HA H 1 4.359 0.020 . 1 . . . . A 12 SER HA . 31279 1 93 . 1 . 1 12 12 SER HB2 H 1 3.801 0.020 . 2 . . . . A 12 SER HB2 . 31279 1 94 . 1 . 1 12 12 SER HB3 H 1 3.779 0.020 . 2 . . . . A 12 SER HB3 . 31279 1 95 . 1 . 1 12 12 SER CA C 13 59.812 0.400 . 1 . . . . A 12 SER CA . 31279 1 96 . 1 . 1 12 12 SER CB C 13 63.518 0.400 . 1 . . . . A 12 SER CB . 31279 1 97 . 1 . 1 13 13 TYR H H 1 7.899 0.020 . 1 . . . . A 13 TYR H . 31279 1 98 . 1 . 1 13 13 TYR HA H 1 4.428 0.020 . 1 . . . . A 13 TYR HA . 31279 1 99 . 1 . 1 13 13 TYR HB2 H 1 2.958 0.020 . 2 . . . . A 13 TYR HB2 . 31279 1 100 . 1 . 1 13 13 TYR HB3 H 1 2.901 0.020 . 2 . . . . A 13 TYR HB3 . 31279 1 101 . 1 . 1 13 13 TYR HD1 H 1 6.953 0.020 . 1 . . . . A 13 TYR HD1 . 31279 1 102 . 1 . 1 13 13 TYR HD2 H 1 6.953 0.020 . 1 . . . . A 13 TYR HD2 . 31279 1 103 . 1 . 1 13 13 TYR HE1 H 1 6.681 0.020 . 1 . . . . A 13 TYR HE1 . 31279 1 104 . 1 . 1 13 13 TYR HE2 H 1 6.681 0.020 . 1 . . . . A 13 TYR HE2 . 31279 1 105 . 1 . 1 13 13 TYR CA C 13 58.908 0.400 . 1 . . . . A 13 TYR CA . 31279 1 106 . 1 . 1 13 13 TYR CB C 13 38.564 0.400 . 1 . . . . A 13 TYR CB . 31279 1 107 . 1 . 1 13 13 TYR CD1 C 13 132.915 0.400 . 3 . . . . A 13 TYR CD1 . 31279 1 108 . 1 . 1 13 13 TYR CE1 C 13 118.227 0.400 . 3 . . . . A 13 TYR CE1 . 31279 1 109 . 1 . 1 14 14 LEU H H 1 7.924 0.020 . 1 . . . . A 14 LEU H . 31279 1 110 . 1 . 1 14 14 LEU HA H 1 4.150 0.020 . 1 . . . . A 14 LEU HA . 31279 1 111 . 1 . 1 14 14 LEU HB2 H 1 1.619 0.020 . 2 . . . . A 14 LEU HB2 . 31279 1 112 . 1 . 1 14 14 LEU HB3 H 1 1.480 0.020 . 2 . . . . A 14 LEU HB3 . 31279 1 113 . 1 . 1 14 14 LEU HG H 1 1.570 0.020 . 1 . . . . A 14 LEU HG . 31279 1 114 . 1 . 1 14 14 LEU HD11 H 1 0.740 0.020 . 2 . . . . A 14 LEU HD11 . 31279 1 115 . 1 . 1 14 14 LEU HD12 H 1 0.740 0.020 . 2 . . . . A 14 LEU HD12 . 31279 1 116 . 1 . 1 14 14 LEU HD13 H 1 0.740 0.020 . 2 . . . . A 14 LEU HD13 . 31279 1 117 . 1 . 1 14 14 LEU HD21 H 1 0.789 0.020 . 2 . . . . A 14 LEU HD21 . 31279 1 118 . 1 . 1 14 14 LEU HD22 H 1 0.789 0.020 . 2 . . . . A 14 LEU HD22 . 31279 1 119 . 1 . 1 14 14 LEU HD23 H 1 0.789 0.020 . 2 . . . . A 14 LEU HD23 . 31279 1 120 . 1 . 1 14 14 LEU CA C 13 55.648 0.400 . 1 . . . . A 14 LEU CA . 31279 1 121 . 1 . 1 14 14 LEU CB C 13 42.296 0.400 . 1 . . . . A 14 LEU CB . 31279 1 122 . 1 . 1 14 14 LEU CG C 13 26.974 0.400 . 1 . . . . A 14 LEU CG . 31279 1 123 . 1 . 1 14 14 LEU CD1 C 13 23.481 0.400 . 2 . . . . A 14 LEU CD1 . 31279 1 124 . 1 . 1 14 14 LEU CD2 C 13 25.429 0.400 . 2 . . . . A 14 LEU CD2 . 31279 1 125 . 1 . 1 15 15 GLU HA H 1 4.196 0.020 . 1 . . . . A 15 GLU HA . 31279 1 126 . 1 . 1 15 15 GLU HB2 H 1 2.051 0.020 . 2 . . . . A 15 GLU HB2 . 31279 1 127 . 1 . 1 15 15 GLU HB3 H 1 1.972 0.020 . 2 . . . . A 15 GLU HB3 . 31279 1 128 . 1 . 1 15 15 GLU HG2 H 1 2.280 0.020 . 2 . . . . A 15 GLU HG2 . 31279 1 129 . 1 . 1 15 15 GLU HG3 H 1 2.262 0.020 . 2 . . . . A 15 GLU HG3 . 31279 1 130 . 1 . 1 15 15 GLU CA C 13 60.067 0.400 . 1 . . . . A 15 GLU CA . 31279 1 131 . 1 . 1 15 15 GLU CB C 13 29.991 0.400 . 1 . . . . A 15 GLU CB . 31279 1 132 . 1 . 1 15 15 GLU CG C 13 36.572 0.400 . 1 . . . . A 15 GLU CG . 31279 1 133 . 1 . 1 16 16 GLY HA2 H 1 3.991 0.020 . 2 . . . . A 16 GLY HA2 . 31279 1 134 . 1 . 1 16 16 GLY HA3 H 1 3.921 0.020 . 2 . . . . A 16 GLY HA3 . 31279 1 135 . 1 . 1 16 16 GLY CA C 13 45.457 0.400 . 1 . . . . A 16 GLY CA . 31279 1 136 . 1 . 1 17 17 GLN HA H 1 4.125 0.020 . 1 . . . . A 17 GLN HA . 31279 1 137 . 1 . 1 17 17 GLN HB2 H 1 2.078 0.020 . 2 . . . . A 17 GLN HB2 . 31279 1 138 . 1 . 1 17 17 GLN HB3 H 1 2.074 0.020 . 2 . . . . A 17 GLN HB3 . 31279 1 139 . 1 . 1 17 17 GLN HG2 H 1 2.335 0.020 . 2 . . . . A 17 GLN HG2 . 31279 1 140 . 1 . 1 17 17 GLN HG3 H 1 2.314 0.020 . 2 . . . . A 17 GLN HG3 . 31279 1 141 . 1 . 1 17 17 GLN HE21 H 1 7.558 0.020 . 2 . . . . A 17 GLN HE21 . 31279 1 142 . 1 . 1 17 17 GLN HE22 H 1 6.702 0.020 . 2 . . . . A 17 GLN HE22 . 31279 1 143 . 1 . 1 17 17 GLN CA C 13 60.855 0.400 . 1 . . . . A 17 GLN CA . 31279 1 144 . 1 . 1 17 17 GLN CB C 13 28.889 0.400 . 1 . . . . A 17 GLN CB . 31279 1 145 . 1 . 1 17 17 GLN CG C 13 33.752 0.400 . 1 . . . . A 17 GLN CG . 31279 1 146 . 1 . 1 18 18 ALA H H 1 8.219 0.020 . 1 . . . . A 18 ALA H . 31279 1 147 . 1 . 1 18 18 ALA HA H 1 4.135 0.020 . 1 . . . . A 18 ALA HA . 31279 1 148 . 1 . 1 18 18 ALA HB1 H 1 1.370 0.020 . 1 . . . . A 18 ALA HB1 . 31279 1 149 . 1 . 1 18 18 ALA HB2 H 1 1.370 0.020 . 1 . . . . A 18 ALA HB2 . 31279 1 150 . 1 . 1 18 18 ALA HB3 H 1 1.370 0.020 . 1 . . . . A 18 ALA HB3 . 31279 1 151 . 1 . 1 18 18 ALA CA C 13 54.932 0.400 . 1 . . . . A 18 ALA CA . 31279 1 152 . 1 . 1 18 18 ALA CB C 13 18.570 0.400 . 1 . . . . A 18 ALA CB . 31279 1 153 . 1 . 1 19 19 ALA H H 1 8.096 0.020 . 1 . . . . A 19 ALA H . 31279 1 154 . 1 . 1 19 19 ALA HA H 1 4.021 0.020 . 1 . . . . A 19 ALA HA . 31279 1 155 . 1 . 1 19 19 ALA HB1 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB1 . 31279 1 156 . 1 . 1 19 19 ALA HB2 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB2 . 31279 1 157 . 1 . 1 19 19 ALA HB3 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB3 . 31279 1 158 . 1 . 1 19 19 ALA CA C 13 55.271 0.400 . 1 . . . . A 19 ALA CA . 31279 1 159 . 1 . 1 19 19 ALA CB C 13 18.461 0.400 . 1 . . . . A 19 ALA CB . 31279 1 160 . 1 . 1 20 20 LYS H H 1 7.877 0.020 . 1 . . . . A 20 LYS H . 31279 1 161 . 1 . 1 20 20 LYS HA H 1 3.896 0.020 . 1 . . . . A 20 LYS HA . 31279 1 162 . 1 . 1 20 20 LYS HB2 H 1 1.843 0.020 . 2 . . . . A 20 LYS HB2 . 31279 1 163 . 1 . 1 20 20 LYS HB3 H 1 1.843 0.020 . 2 . . . . A 20 LYS HB3 . 31279 1 164 . 1 . 1 20 20 LYS HG2 H 1 1.443 0.020 . 2 . . . . A 20 LYS HG2 . 31279 1 165 . 1 . 1 20 20 LYS HG3 H 1 1.443 0.020 . 2 . . . . A 20 LYS HG3 . 31279 1 166 . 1 . 1 20 20 LYS HD2 H 1 1.444 0.020 . 2 . . . . A 20 LYS HD2 . 31279 1 167 . 1 . 1 20 20 LYS HD3 H 1 1.444 0.020 . 2 . . . . A 20 LYS HD3 . 31279 1 168 . 1 . 1 20 20 LYS HE2 H 1 3.151 0.020 . 2 . . . . A 20 LYS HE2 . 31279 1 169 . 1 . 1 20 20 LYS HE3 H 1 3.034 0.020 . 2 . . . . A 20 LYS HE3 . 31279 1 170 . 1 . 1 20 20 LYS HZ1 H 1 7.789 0.020 . 1 . . . . A 20 LYS HZ2 . 31279 1 171 . 1 . 1 20 20 LYS HZ2 H 1 7.789 0.020 . 1 . . . . A 20 LYS HZ2 . 31279 1 172 . 1 . 1 20 20 LYS HZ3 H 1 7.789 0.020 . 1 . . . . A 20 LYS HZ2 . 31279 1 173 . 1 . 1 20 20 LYS CA C 13 59.605 0.400 . 1 . . . . A 20 LYS CA . 31279 1 174 . 1 . 1 20 20 LYS CB C 13 32.138 0.400 . 1 . . . . A 20 LYS CB . 31279 1 175 . 1 . 1 20 20 LYS CG C 13 26.039 0.400 . 1 . . . . A 20 LYS CG . 31279 1 176 . 1 . 1 20 20 LYS CD C 13 30.573 0.400 . 1 . . . . A 20 LYS CD . 31279 1 177 . 1 . 1 20 20 LYS CE C 13 41.840 0.400 . 1 . . . . A 20 LYS CE . 31279 1 178 . 1 . 1 21 21 GLU H H 1 8.129 0.020 . 1 . . . . A 21 GLU H . 31279 1 179 . 1 . 1 21 21 GLU HA H 1 4.098 0.020 . 1 . . . . A 21 GLU HA . 31279 1 180 . 1 . 1 21 21 GLU HB2 H 1 2.152 0.020 . 2 . . . . A 21 GLU HB2 . 31279 1 181 . 1 . 1 21 21 GLU HB3 H 1 2.095 0.020 . 2 . . . . A 21 GLU HB3 . 31279 1 182 . 1 . 1 21 21 GLU HG2 H 1 2.432 0.020 . 2 . . . . A 21 GLU HG2 . 31279 1 183 . 1 . 1 21 21 GLU HG3 H 1 2.305 0.020 . 2 . . . . A 21 GLU HG3 . 31279 1 184 . 1 . 1 21 21 GLU CA C 13 59.245 0.400 . 1 . . . . A 21 GLU CA . 31279 1 185 . 1 . 1 21 21 GLU CB C 13 29.468 0.400 . 1 . . . . A 21 GLU CB . 31279 1 186 . 1 . 1 21 21 GLU CG C 13 36.648 0.400 . 1 . . . . A 21 GLU CG . 31279 1 187 . 1 . 1 22 22 PHE H H 1 8.110 0.020 . 1 . . . . A 22 PHE H . 31279 1 188 . 1 . 1 22 22 PHE HA H 1 4.310 0.020 . 1 . . . . A 22 PHE HA . 31279 1 189 . 1 . 1 22 22 PHE HB2 H 1 3.151 0.020 . 2 . . . . A 22 PHE HB2 . 31279 1 190 . 1 . 1 22 22 PHE HB3 H 1 3.151 0.020 . 2 . . . . A 22 PHE HB3 . 31279 1 191 . 1 . 1 22 22 PHE HD1 H 1 7.017 0.020 . 1 . . . . A 22 PHE HD1 . 31279 1 192 . 1 . 1 22 22 PHE HD2 H 1 7.017 0.020 . 1 . . . . A 22 PHE HD2 . 31279 1 193 . 1 . 1 22 22 PHE HE1 H 1 7.122 0.020 . 1 . . . . A 22 PHE HE1 . 31279 1 194 . 1 . 1 22 22 PHE HE2 H 1 7.122 0.020 . 1 . . . . A 22 PHE HE2 . 31279 1 195 . 1 . 1 22 22 PHE HZ H 1 7.125 0.020 . 1 . . . . A 22 PHE HZ . 31279 1 196 . 1 . 1 22 22 PHE CA C 13 57.241 0.400 . 1 . . . . A 22 PHE CA . 31279 1 197 . 1 . 1 22 22 PHE CB C 13 39.381 0.400 . 1 . . . . A 22 PHE CB . 31279 1 198 . 1 . 1 22 22 PHE CD1 C 13 131.870 0.400 . 3 . . . . A 22 PHE CD1 . 31279 1 199 . 1 . 1 22 22 PHE CE1 C 13 130.799 0.400 . 3 . . . . A 22 PHE CE1 . 31279 1 200 . 1 . 1 22 22 PHE CZ C 13 129.342 0.400 . 1 . . . . A 22 PHE CZ . 31279 1 201 . 1 . 1 23 23 ILE H H 1 8.215 0.020 . 1 . . . . A 23 ILE H . 31279 1 202 . 1 . 1 23 23 ILE HA H 1 3.513 0.020 . 1 . . . . A 23 ILE HA . 31279 1 203 . 1 . 1 23 23 ILE HB H 1 1.973 0.020 . 1 . . . . A 23 ILE HB . 31279 1 204 . 1 . 1 23 23 ILE HG12 H 1 1.258 0.020 . 2 . . . . A 23 ILE HG12 . 31279 1 205 . 1 . 1 23 23 ILE HG13 H 1 1.790 0.020 . 2 . . . . A 23 ILE HG13 . 31279 1 206 . 1 . 1 23 23 ILE HG21 H 1 0.877 0.020 . 1 . . . . A 23 ILE HG21 . 31279 1 207 . 1 . 1 23 23 ILE HG22 H 1 0.877 0.020 . 1 . . . . A 23 ILE HG22 . 31279 1 208 . 1 . 1 23 23 ILE HG23 H 1 0.877 0.020 . 1 . . . . A 23 ILE HG23 . 31279 1 209 . 1 . 1 23 23 ILE HD11 H 1 0.827 0.020 . 1 . . . . A 23 ILE HD11 . 31279 1 210 . 1 . 1 23 23 ILE HD12 H 1 0.827 0.020 . 1 . . . . A 23 ILE HD12 . 31279 1 211 . 1 . 1 23 23 ILE HD13 H 1 0.827 0.020 . 1 . . . . A 23 ILE HD13 . 31279 1 212 . 1 . 1 23 23 ILE CA C 13 64.604 0.400 . 1 . . . . A 23 ILE CA . 31279 1 213 . 1 . 1 23 23 ILE CB C 13 37.351 0.400 . 1 . . . . A 23 ILE CB . 31279 1 214 . 1 . 1 23 23 ILE CG1 C 13 29.230 0.400 . 1 . . . . A 23 ILE CG1 . 31279 1 215 . 1 . 1 23 23 ILE CG2 C 13 17.950 0.400 . 1 . . . . A 23 ILE CG2 . 31279 1 216 . 1 . 1 23 23 ILE CD1 C 13 12.830 0.400 . 1 . . . . A 23 ILE CD1 . 31279 1 217 . 1 . 1 24 24 ALA H H 1 8.047 0.020 . 1 . . . . A 24 ALA H . 31279 1 218 . 1 . 1 24 24 ALA HA H 1 3.972 0.020 . 1 . . . . A 24 ALA HA . 31279 1 219 . 1 . 1 24 24 ALA HB1 H 1 1.486 0.020 . 1 . . . . A 24 ALA HB1 . 31279 1 220 . 1 . 1 24 24 ALA HB2 H 1 1.486 0.020 . 1 . . . . A 24 ALA HB2 . 31279 1 221 . 1 . 1 24 24 ALA HB3 H 1 1.486 0.020 . 1 . . . . A 24 ALA HB3 . 31279 1 222 . 1 . 1 24 24 ALA CA C 13 55.242 0.400 . 1 . . . . A 24 ALA CA . 31279 1 223 . 1 . 1 24 24 ALA CB C 13 18.128 0.400 . 1 . . . . A 24 ALA CB . 31279 1 224 . 1 . 1 25 25 TRP H H 1 7.885 0.020 . 1 . . . . A 25 TRP H . 31279 1 225 . 1 . 1 25 25 TRP HA H 1 4.131 0.020 . 1 . . . . A 25 TRP HA . 31279 1 226 . 1 . 1 25 25 TRP HB2 H 1 3.501 0.020 . 2 . . . . A 25 TRP HB2 . 31279 1 227 . 1 . 1 25 25 TRP HB3 H 1 3.242 0.020 . 2 . . . . A 25 TRP HB3 . 31279 1 228 . 1 . 1 25 25 TRP HD1 H 1 7.161 0.020 . 1 . . . . A 25 TRP HD1 . 31279 1 229 . 1 . 1 25 25 TRP HE1 H 1 10.086 0.020 . 1 . . . . A 25 TRP HE1 . 31279 1 230 . 1 . 1 25 25 TRP HE3 H 1 7.209 0.020 . 1 . . . . A 25 TRP HE3 . 31279 1 231 . 1 . 1 25 25 TRP HZ2 H 1 7.360 0.020 . 1 . . . . A 25 TRP HZ2 . 31279 1 232 . 1 . 1 25 25 TRP HZ3 H 1 6.836 0.020 . 1 . . . . A 25 TRP HZ3 . 31279 1 233 . 1 . 1 25 25 TRP HH2 H 1 7.026 0.020 . 1 . . . . A 25 TRP HH2 . 31279 1 234 . 1 . 1 25 25 TRP CA C 13 57.626 0.400 . 1 . . . . A 25 TRP CA . 31279 1 235 . 1 . 1 25 25 TRP CB C 13 28.432 0.400 . 1 . . . . A 25 TRP CB . 31279 1 236 . 1 . 1 25 25 TRP CD1 C 13 127.081 0.400 . 1 . . . . A 25 TRP CD1 . 31279 1 237 . 1 . 1 25 25 TRP CE3 C 13 120.664 0.400 . 1 . . . . A 25 TRP CE3 . 31279 1 238 . 1 . 1 25 25 TRP CZ2 C 13 114.419 0.400 . 1 . . . . A 25 TRP CZ2 . 31279 1 239 . 1 . 1 25 25 TRP CZ3 C 13 121.708 0.400 . 1 . . . . A 25 TRP CZ3 . 31279 1 240 . 1 . 1 25 25 TRP CH2 C 13 123.907 0.400 . 1 . . . . A 25 TRP CH2 . 31279 1 241 . 1 . 1 26 26 LEU H H 1 8.072 0.020 . 1 . . . . A 26 LEU H . 31279 1 242 . 1 . 1 26 26 LEU HA H 1 3.423 0.020 . 1 . . . . A 26 LEU HA . 31279 1 243 . 1 . 1 26 26 LEU HB2 H 1 1.647 0.020 . 2 . . . . A 26 LEU HB2 . 31279 1 244 . 1 . 1 26 26 LEU HB3 H 1 1.362 0.020 . 2 . . . . A 26 LEU HB3 . 31279 1 245 . 1 . 1 26 26 LEU HG H 1 1.440 0.020 . 1 . . . . A 26 LEU HG . 31279 1 246 . 1 . 1 26 26 LEU HD11 H 1 0.669 0.020 . 2 . . . . A 26 LEU HD11 . 31279 1 247 . 1 . 1 26 26 LEU HD12 H 1 0.669 0.020 . 2 . . . . A 26 LEU HD12 . 31279 1 248 . 1 . 1 26 26 LEU HD13 H 1 0.669 0.020 . 2 . . . . A 26 LEU HD13 . 31279 1 249 . 1 . 1 26 26 LEU HD21 H 1 0.677 0.020 . 2 . . . . A 26 LEU HD21 . 31279 1 250 . 1 . 1 26 26 LEU HD22 H 1 0.677 0.020 . 2 . . . . A 26 LEU HD22 . 31279 1 251 . 1 . 1 26 26 LEU HD23 H 1 0.677 0.020 . 2 . . . . A 26 LEU HD23 . 31279 1 252 . 1 . 1 26 26 LEU CA C 13 57.685 0.400 . 1 . . . . A 26 LEU CA . 31279 1 253 . 1 . 1 26 26 LEU CB C 13 42.553 0.400 . 1 . . . . A 26 LEU CB . 31279 1 254 . 1 . 1 26 26 LEU CG C 13 25.882 0.400 . 1 . . . . A 26 LEU CG . 31279 1 255 . 1 . 1 26 26 LEU CD1 C 13 25.557 0.400 . 2 . . . . A 26 LEU CD1 . 31279 1 256 . 1 . 1 26 26 LEU CD2 C 13 24.455 0.400 . 2 . . . . A 26 LEU CD2 . 31279 1 257 . 1 . 1 27 27 VAL H H 1 7.847 0.020 . 1 . . . . A 27 VAL H . 31279 1 258 . 1 . 1 27 27 VAL HA H 1 3.836 0.020 . 1 . . . . A 27 VAL HA . 31279 1 259 . 1 . 1 27 27 VAL HB H 1 2.158 0.020 . 1 . . . . A 27 VAL HB . 31279 1 260 . 1 . 1 27 27 VAL HG11 H 1 0.908 0.020 . 2 . . . . A 27 VAL HG11 . 31279 1 261 . 1 . 1 27 27 VAL HG12 H 1 0.908 0.020 . 2 . . . . A 27 VAL HG12 . 31279 1 262 . 1 . 1 27 27 VAL HG13 H 1 0.908 0.020 . 2 . . . . A 27 VAL HG13 . 31279 1 263 . 1 . 1 27 27 VAL HG21 H 1 0.824 0.020 . 2 . . . . A 27 VAL HG21 . 31279 1 264 . 1 . 1 27 27 VAL HG22 H 1 0.824 0.020 . 2 . . . . A 27 VAL HG22 . 31279 1 265 . 1 . 1 27 27 VAL HG23 H 1 0.824 0.020 . 2 . . . . A 27 VAL HG23 . 31279 1 266 . 1 . 1 27 27 VAL CA C 13 63.667 0.400 . 1 . . . . A 27 VAL CA . 31279 1 267 . 1 . 1 27 27 VAL CB C 13 31.940 0.400 . 1 . . . . A 27 VAL CB . 31279 1 268 . 1 . 1 27 27 VAL CG1 C 13 20.972 0.400 . 2 . . . . A 27 VAL CG1 . 31279 1 269 . 1 . 1 27 27 VAL CG2 C 13 21.448 0.400 . 2 . . . . A 27 VAL CG2 . 31279 1 270 . 1 . 1 28 28 ARG H H 1 7.692 0.020 . 1 . . . . A 28 ARG H . 31279 1 271 . 1 . 1 28 28 ARG HA H 1 4.196 0.020 . 1 . . . . A 28 ARG HA . 31279 1 272 . 1 . 1 28 28 ARG HB2 H 1 1.858 0.020 . 2 . . . . A 28 ARG HB2 . 31279 1 273 . 1 . 1 28 28 ARG HB3 H 1 1.789 0.020 . 2 . . . . A 28 ARG HB3 . 31279 1 274 . 1 . 1 28 28 ARG HG2 H 1 1.594 0.020 . 2 . . . . A 28 ARG HG2 . 31279 1 275 . 1 . 1 28 28 ARG HG3 H 1 1.599 0.020 . 2 . . . . A 28 ARG HG3 . 31279 1 276 . 1 . 1 28 28 ARG HD2 H 1 3.078 0.020 . 2 . . . . A 28 ARG HD2 . 31279 1 277 . 1 . 1 28 28 ARG HD3 H 1 3.078 0.020 . 2 . . . . A 28 ARG HD3 . 31279 1 278 . 1 . 1 28 28 ARG CA C 13 57.357 0.400 . 1 . . . . A 28 ARG CA . 31279 1 279 . 1 . 1 28 28 ARG CB C 13 30.582 0.400 . 1 . . . . A 28 ARG CB . 31279 1 280 . 1 . 1 28 28 ARG CG C 13 27.141 0.400 . 1 . . . . A 28 ARG CG . 31279 1 281 . 1 . 1 28 28 ARG CD C 13 43.548 0.400 . 1 . . . . A 28 ARG CD . 31279 1 282 . 1 . 1 29 29 GLY H H 1 8.042 0.020 . 1 . . . . A 29 GLY H . 31279 1 283 . 1 . 1 29 29 GLY HA2 H 1 3.769 0.020 . 2 . . . . A 29 GLY HA2 . 31279 1 284 . 1 . 1 29 29 GLY HA3 H 1 3.769 0.020 . 2 . . . . A 29 GLY HA3 . 31279 1 285 . 1 . 1 29 29 GLY CA C 13 45.839 0.400 . 1 . . . . A 29 GLY CA . 31279 1 286 . 1 . 1 30 30 ARG H H 1 7.926 0.020 . 1 . . . . A 30 ARG H . 31279 1 287 . 1 . 1 30 30 ARG HA H 1 4.069 0.020 . 1 . . . . A 30 ARG HA . 31279 1 288 . 1 . 1 30 30 ARG HB2 H 1 1.760 0.020 . 2 . . . . A 30 ARG HB2 . 31279 1 289 . 1 . 1 30 30 ARG HB3 H 1 1.630 0.020 . 2 . . . . A 30 ARG HB3 . 31279 1 290 . 1 . 1 30 30 ARG HG2 H 1 1.428 0.020 . 2 . . . . A 30 ARG HG2 . 31279 1 291 . 1 . 1 30 30 ARG HG3 H 1 1.343 0.020 . 2 . . . . A 30 ARG HG3 . 31279 1 292 . 1 . 1 30 30 ARG HD2 H 1 2.927 0.020 . 2 . . . . A 30 ARG HD2 . 31279 1 293 . 1 . 1 30 30 ARG HD3 H 1 2.927 0.020 . 2 . . . . A 30 ARG HD3 . 31279 1 294 . 1 . 1 30 30 ARG CA C 13 56.163 0.400 . 1 . . . . A 30 ARG CA . 31279 1 295 . 1 . 1 30 30 ARG CB C 13 30.614 0.400 . 1 . . . . A 30 ARG CB . 31279 1 296 . 1 . 1 30 30 ARG CG C 13 27.008 0.400 . 1 . . . . A 30 ARG CG . 31279 1 297 . 1 . 1 30 30 ARG CD C 13 43.344 0.400 . 1 . . . . A 30 ARG CD . 31279 1 298 . 1 . 1 31 31 GLY H H 1 7.864 0.020 . 1 . . . . A 31 GLY H . 31279 1 299 . 1 . 1 31 31 GLY HA2 H 1 3.725 0.020 . 2 . . . . A 31 GLY HA2 . 31279 1 300 . 1 . 1 31 31 GLY HA3 H 1 3.725 0.020 . 2 . . . . A 31 GLY HA3 . 31279 1 301 . 1 . 1 31 31 GLY CA C 13 46.290 0.400 . 1 . . . . A 31 GLY CA . 31279 1 302 . 2 . 2 1 1 PLM H21 H 1 2.123 0.020 . 1 . . . . A 101 PLM H21 . 31279 1 303 . 2 . 2 1 1 PLM H22 H 1 2.117 0.020 . 1 . . . . A 101 PLM H22 . 31279 1 304 . 2 . 2 1 1 PLM H31 H 1 1.449 0.020 . 1 . . . . A 101 PLM H31 . 31279 1 305 . 2 . 2 1 1 PLM H41 H 1 1.139 0.020 . 1 . . . . A 101 PLM H41 . 31279 1 306 . 2 . 2 1 1 PLM H51 H 1 1.199 0.020 . 1 . . . . A 101 PLM H51 . 31279 1 307 . 2 . 2 1 1 PLM H61 H 1 1.149 0.020 . 1 . . . . A 101 PLM H61 . 31279 1 308 . 2 . 2 1 1 PLM H71 H 1 1.195 0.020 . 1 . . . . A 101 PLM H71 . 31279 1 309 . 2 . 2 1 1 PLM H81 H 1 1.151 0.020 . 1 . . . . A 101 PLM H81 . 31279 1 310 . 2 . 2 1 1 PLM H91 H 1 1.188 0.020 . 1 . . . . A 101 PLM H91 . 31279 1 311 . 2 . 2 1 1 PLM HA1 H 1 1.169 0.020 . 1 . . . . A 101 PLM HA1 . 31279 1 312 . 2 . 2 1 1 PLM HB1 H 1 1.182 0.020 . 1 . . . . A 101 PLM HB1 . 31279 1 313 . 2 . 2 1 1 PLM HC1 H 1 1.172 0.020 . 1 . . . . A 101 PLM HC1 . 31279 1 314 . 2 . 2 1 1 PLM HD1 H 1 1.176 0.020 . 1 . . . . A 101 PLM HD1 . 31279 1 315 . 2 . 2 1 1 PLM HE1 H 1 1.189 0.020 . 1 . . . . A 101 PLM HE1 . 31279 1 316 . 2 . 2 1 1 PLM HF1 H 1 1.226 0.020 . 1 . . . . A 101 PLM HF1 . 31279 1 317 . 2 . 2 1 1 PLM HG1 H 1 0.829 0.020 . 1 . . . . A 101 PLM HG1 . 31279 1 318 . 2 . 2 1 1 PLM HG2 H 1 0.829 0.020 . 1 . . . . A 101 PLM HG2 . 31279 1 319 . 2 . 2 1 1 PLM HG3 H 1 0.829 0.020 . 1 . . . . A 101 PLM HG3 . 31279 1 320 . 2 . 2 1 1 PLM C2 C 13 38.809 0.400 . 1 . . . . A 101 PLM C2 . 31279 1 321 . 2 . 2 1 1 PLM C3 C 13 28.372 0.400 . 1 . . . . A 101 PLM C3 . 31279 1 322 . 2 . 2 1 1 PLM C4 C 13 32.153 0.400 . 1 . . . . A 101 PLM C4 . 31279 1 323 . 2 . 2 1 1 PLM C5 C 13 32.177 0.400 . 1 . . . . A 101 PLM C5 . 31279 1 324 . 2 . 2 1 1 PLM C6 C 13 32.256 0.400 . 1 . . . . A 101 PLM C6 . 31279 1 325 . 2 . 2 1 1 PLM C7 C 13 32.252 0.400 . 1 . . . . A 101 PLM C7 . 31279 1 326 . 2 . 2 1 1 PLM C8 C 13 32.312 0.400 . 1 . . . . A 101 PLM C8 . 31279 1 327 . 2 . 2 1 1 PLM C9 C 13 32.180 0.400 . 1 . . . . A 101 PLM C9 . 31279 1 328 . 2 . 2 1 1 PLM CA C 13 32.312 0.400 . 1 . . . . A 101 PLM CA . 31279 1 329 . 2 . 2 1 1 PLM CB C 13 32.324 0.400 . 1 . . . . A 101 PLM CB . 31279 1 330 . 2 . 2 1 1 PLM CC C 13 32.216 0.400 . 1 . . . . A 101 PLM CC . 31279 1 331 . 2 . 2 1 1 PLM CD C 13 32.252 0.400 . 1 . . . . A 101 PLM CD . 31279 1 332 . 2 . 2 1 1 PLM CE C 13 34.432 0.400 . 1 . . . . A 101 PLM CE . 31279 1 333 . 2 . 2 1 1 PLM CF C 13 25.313 0.400 . 1 . . . . A 101 PLM CF . 31279 1 334 . 2 . 2 1 1 PLM CG C 13 16.688 0.400 . 1 . . . . A 101 PLM CG . 31279 1 335 . 3 . 3 1 1 GGL H H 1 7.523 0.020 . 1 . . . . A 102 GGL H . 31279 1 336 . 3 . 3 1 1 GGL HA H 1 4.144 0.020 . 1 . . . . A 102 GGL HA . 31279 1 337 . 3 . 3 1 1 GGL HB2 H 1 1.857 0.020 . 1 . . . . A 102 GGL HB2 . 31279 1 338 . 3 . 3 1 1 GGL HB3 H 1 2.073 0.020 . 1 . . . . A 102 GGL HB3 . 31279 1 339 . 3 . 3 1 1 GGL HG2 H 1 2.187 0.020 . 1 . . . . A 102 GGL HG2 . 31279 1 340 . 3 . 3 1 1 GGL HG3 H 1 2.182 0.020 . 1 . . . . A 102 GGL HG3 . 31279 1 341 . 3 . 3 1 1 GGL CA C 13 57.458 0.400 . 1 . . . . A 102 GGL CA . 31279 1 342 . 3 . 3 1 1 GGL CB C 13 30.996 0.400 . 1 . . . . A 102 GGL CB . 31279 1 343 . 3 . 3 1 1 GGL CG C 13 35.483 0.400 . 1 . . . . A 102 GGL CG . 31279 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 31279 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # Number of peaks 1616 #FORMAT cyana3D #INAME 1 H #INAME 2 h #CYANAFORMAT Hh 1 3.140 3.033 1 U 4.21e+07 0 e 0 0 0 0 2 1.195 1.446 1 U 2.65e+07 0 e 0 0 0 0 3 1.338 1.431 1 U 9.9e+07 0 e 0 0 0 0 4 1.346 1.646 1 U 2.44e+07 0 e 0 0 0 0 5 1.435 1.638 1 U 2.21e+07 0 e 0 0 0 0 6 1.633 1.352 1 U 2.43e+07 0 e 0 0 0 0 7 1.629 1.439 1 U 2.42e+07 0 e 0 0 0 0 8 1.444 1.174 1 U 3.65e+07 0 e 0 0 0 0 9 0.823 0.908 1 U 1.44e+08 0 e 0 0 0 0 10 0.905 0.823 1 U 1.24e+08 0 e 0 0 0 0 11 0.745 0.906 1 U 2.21e+07 0 e 0 0 0 0 12 0.739 0.857 1 U 3.76e+07 0 e 0 0 0 0 13 1.837 0.668 1 U 3.6e+06 0 e 0 0 0 0 14 1.781 0.668 1 U 7.52e+06 0 e 0 0 0 0 15 1.788 0.877 1 U 2.39e+07 0 e 0 0 0 0 16 1.851 0.908 1 U 6.89e+06 0 e 0 0 0 0 17 1.851 0.871 1 U 1.01e+07 0 e 0 0 0 0 18 1.851 0.822 1 U 1.18e+07 0 e 0 0 0 0 19 2.059 0.788 1 U 7.33e+06 0 e 0 0 0 0 20 2.156 0.745 1 U 3.59e+06 0 e 0 0 0 0 21 2.065 0.744 1 U 5.69e+06 0 e 0 0 0 0 22 2.152 0.668 1 U 6.27e+06 0 e 0 0 0 0 23 2.123 0.668 1 U 5.37e+06 0 e 0 0 0 0 24 2.054 0.673 1 U 3.52e+06 0 e 0 0 0 0 25 1.850 1.140 1 U 1.14e+07 0 e 0 0 0 0 26 1.789 1.190 1 U 1.29e+07 0 e 0 0 0 0 27 1.784 1.144 1 U 1.26e+07 0 e 0 0 0 0 28 1.840 1.442 1 U 3.15e+07 0 e 0 0 0 0 29 1.759 1.430 1 U 1.46e+07 0 e 0 0 0 0 30 1.786 1.263 1 U 1.96e+07 0 e 0 0 0 0 31 1.973 1.260 1 U 8.65e+06 0 e 0 0 0 0 32 1.976 1.196 1 U 7.82e+06 0 e 0 0 0 0 33 2.153 1.594 1 U 3.27e+06 0 e 0 0 0 0 34 2.178 1.140 1 U 1.59e+07 0 e 0 0 0 0 35 2.119 1.139 1 U 6.2e+07 0 e 0 0 0 0 36 2.059 1.445 1 U 8.33e+06 0 e 0 0 0 0 37 2.122 1.370 1 U 9.24e+06 0 e 0 0 0 0 38 2.125 1.485 1 U 1.14e+07 0 e 0 0 0 0 39 2.116 1.447 1 U 1.87e+07 0 e 0 0 0 0 40 2.065 1.369 1 U 9.79e+06 0 e 0 0 0 0 41 2.179 1.447 1 U 9.93e+06 0 e 0 0 0 0 42 2.298 1.451 1 U 4.67e+06 0 e 0 0 0 0 43 2.298 1.372 1 U 5.41e+06 0 e 0 0 0 0 44 2.297 1.485 1 U 5.67e+06 0 e 0 0 0 0 45 2.277 1.140 1 U 6.36e+06 0 e 0 0 0 0 46 1.972 1.486 1 U 9.7e+06 0 e 0 0 0 0 47 1.973 1.450 1 U 7.02e+06 0 e 0 0 0 0 48 1.971 1.361 1 U 7.12e+06 0 e 0 0 0 0 49 1.851 1.602 1 U 1.42e+07 0 e 0 0 0 0 50 1.759 1.636 1 U 4.6e+07 0 e 0 0 0 0 51 1.781 0.741 1 U 3.89e+06 0 e 0 0 0 0 52 2.691 0.860 1 U 3.55e+06 0 e 0 0 0 0 53 2.644 0.860 1 U 4.01e+06 0 e 0 0 0 0 54 2.426 1.484 1 U 3.37e+06 0 e 0 0 0 0 55 2.918 1.763 1 U 9.12e+06 0 e 0 0 0 0 56 2.919 1.629 1 U 8.88e+06 0 e 0 0 0 0 57 2.920 1.424 1 U 1.47e+07 0 e 0 0 0 0 58 2.921 1.337 1 U 1.29e+07 0 e 0 0 0 0 59 3.067 1.596 1 U 1.98e+07 0 e 0 0 0 0 60 3.143 1.443 1 U 1.77e+07 0 e 0 0 0 0 61 3.030 1.442 1 U 2.22e+07 0 e 0 0 0 0 62 3.031 1.341 1 U 6.53e+06 0 e 0 0 0 0 63 3.023 1.307 1 U 4.67e+06 0 e 0 0 0 0 64 3.152 1.348 1 U 7.51e+06 0 e 0 0 0 0 65 2.944 1.190 1 U 3.54e+06 0 e 0 0 0 0 66 3.082 1.132 1 U 4.31e+06 0 e 0 0 0 0 67 2.941 1.139 1 U 4.62e+06 0 e 0 0 0 0 68 2.912 1.198 1 U 3.22e+06 0 e 0 0 0 0 69 2.904 1.146 1 U 4.14e+06 0 e 0 0 0 0 70 3.031 1.140 1 U 4.53e+06 0 e 0 0 0 0 71 3.149 1.188 1 U 8.05e+06 0 e 0 0 0 0 72 3.146 1.143 1 U 9.49e+06 0 e 0 0 0 0 73 2.949 0.857 1 U 6.3e+06 0 e 0 0 0 0 74 2.936 0.823 1 U 4.32e+06 0 e 0 0 0 0 75 2.900 0.859 1 U 4.71e+06 0 e 0 0 0 0 76 3.155 0.668 1 U 5.39e+06 0 e 0 0 0 0 77 2.924 0.673 1 U 5.37e+06 0 e 0 0 0 0 78 3.154 0.868 1 U 5.74e+06 0 e 0 0 0 0 79 3.152 0.825 1 U 8.13e+06 0 e 0 0 0 0 80 3.083 0.860 1 U 5.35e+06 0 e 0 0 0 0 81 3.076 0.824 1 U 4.07e+06 0 e 0 0 0 0 82 3.052 0.864 1 U 3.11e+06 0 e 0 0 0 0 83 2.149 1.648 1 U 3.03e+06 0 e 0 0 0 0 84 3.514 1.657 1 U 6.03e+06 0 e 0 0 0 0 85 3.501 1.446 1 U 7.68e+06 0 e 0 0 0 0 86 3.502 1.363 1 U 8.43e+06 0 e 0 0 0 0 87 3.500 1.259 1 U 6.19e+06 0 e 0 0 0 0 88 3.504 1.190 1 U 8.01e+06 0 e 0 0 0 0 89 3.504 1.144 1 U 7.91e+06 0 e 0 0 0 0 90 3.507 0.878 1 U 3.04e+07 0 e 0 0 0 0 91 3.506 0.829 1 U 2.53e+07 0 e 0 0 0 0 92 3.507 0.667 1 U 2.69e+07 0 e 0 0 0 0 93 3.420 1.657 1 U 7.58e+06 0 e 0 0 0 0 94 3.420 1.448 1 U 8.6e+06 0 e 0 0 0 0 95 3.420 1.359 1 U 1.04e+07 0 e 0 0 0 0 96 3.420 1.186 1 U 2.89e+06 0 e 0 0 0 0 97 3.420 1.142 1 U 4.23e+06 0 e 0 0 0 0 98 3.420 0.909 1 U 3.93e+06 0 e 0 0 0 0 99 3.429 0.872 1 U 3.74e+06 0 e 0 0 0 0 100 3.420 0.824 1 U 6.35e+06 0 e 0 0 0 0 101 3.420 0.668 1 U 4.27e+07 0 e 0 0 0 0 102 4.098 1.062 1 U 4.42e+07 0 e 0 31 32 0 103 4.286 1.060 1 U 2.64e+07 0 e 0 30 32 0 104 4.632 0.860 1 U 6.68e+06 0 e 0 0 0 0 105 3.514 1.973 1 U 7.71e+06 0 e 0 0 0 0 106 3.505 1.792 1 U 6.95e+06 0 e 0 0 0 0 107 4.068 2.926 1 U 6.65e+06 0 e 0 0 0 0 108 3.154 2.127 1 U 3.13e+06 0 e 0 0 0 0 109 3.156 1.975 1 U 3.06e+06 0 e 0 0 0 0 110 3.154 1.803 1 U 2.9e+06 0 e 0 0 0 0 111 3.152 2.079 1 U 3.36e+06 0 e 0 0 0 0 112 3.144 2.181 1 U 3.33e+06 0 e 0 0 0 0 113 3.144 1.844 1 U 3.73e+06 0 e 0 0 0 0 114 3.071 1.853 1 U 8.16e+06 0 e 0 0 0 0 115 3.071 1.788 1 U 9.41e+06 0 e 0 0 0 0 116 3.023 1.849 1 U 3.81e+06 0 e 0 0 0 0 117 3.029 2.183 1 U 3.73e+06 0 e 0 0 0 0 118 2.067 1.858 1 U 5.7e+07 0 e 0 0 0 0 119 2.184 1.859 1 U 2.41e+07 0 e 0 0 0 0 120 2.428 2.153 1 U 1e+07 0 e 0 0 0 0 121 2.431 2.094 1 U 1.07e+07 0 e 0 0 0 0 122 1.962 1.795 1 U 8.26e+06 0 e 0 0 0 0 123 1.856 2.182 1 U 3.04e+07 0 e 0 0 0 0 124 1.787 1.976 1 U 8.92e+06 0 e 0 0 0 0 125 1.853 1.802 1 U 4.35e+07 0 e 0 0 0 0 126 1.792 1.851 1 U 4.12e+07 0 e 0 0 0 0 127 1.779 1.604 1 U 2.3e+07 0 e 0 0 0 0 128 2.072 2.313 1 U 3.4e+07 0 e 0 0 0 0 129 2.295 2.076 1 U 2.9e+07 0 e 0 0 0 0 130 2.067 2.180 1 U 5e+07 0 e 0 0 0 0 131 2.182 2.080 1 U 5.25e+07 0 e 0 0 0 0 132 2.699 2.651 1 U 1.02e+08 0 e 0 0 0 0 133 2.642 2.702 1 U 9.58e+07 0 e 0 0 0 0 134 2.949 3.082 1 U 9.98e+07 0 e 0 0 0 0 135 3.030 3.150 1 U 3.19e+07 0 e 0 0 0 0 136 3.082 2.956 1 U 9.02e+07 0 e 0 0 0 0 137 6.834 7.121 1 U 2.36e+07 0 e 0 0 0 0 138 4.093 7.160 1 U 8.45e+06 0 e 0 0 0 0 139 2.953 6.681 1 U 5.87e+06 0 e 0 0 0 0 140 6.947 6.679 1 U 1.29e+08 0 e 0 0 0 0 141 6.674 6.954 1 U 1.15e+08 0 e 0 93 92 0 142 8.209 8.100 1 U 9.31e+06 0 e 0 0 0 0 143 8.102 8.220 1 U 1.01e+07 0 e 0 0 0 0 144 3.942 8.220 1 U 6.64e+06 0 e 0 0 0 0 145 1.970 8.217 1 U 9.07e+06 0 e 0 0 0 0 146 4.428 2.960 1 U 9.44e+06 0 e 0 89 90 0 147 4.429 2.904 1 U 9.72e+06 0 e 0 89 91 0 148 7.875 2.962 1 U 3.78e+06 0 e 0 0 0 0 149 7.879 2.899 1 U 3.83e+06 0 e 0 0 0 0 150 1.627 2.926 1 U 1.31e+07 0 e 0 0 0 0 151 1.425 2.929 1 U 1.97e+07 0 e 0 0 0 0 152 1.288 3.420 1 U 1.56e+06 0 e 0 0 0 0 153 1.178 3.420 1 U 3.78e+06 0 e 0 0 0 0 154 1.140 3.421 1 U 3.99e+06 0 e 0 0 0 0 155 1.436 3.511 1 U 9.37e+06 0 e 0 0 0 0 156 1.178 3.515 1 U 7.11e+06 0 e 0 0 0 0 157 1.141 3.515 1 U 7.17e+06 0 e 0 0 0 0 158 0.905 3.515 1 U 6.7e+06 0 e 0 0 0 0 159 0.822 3.512 1 U 2.53e+07 0 e 0 218 216 0 160 0.666 3.515 1 U 2.38e+07 0 e 0 0 0 0 161 0.884 3.424 1 U 3.89e+06 0 e 0 0 0 0 162 0.823 3.421 1 U 6.37e+06 0 e 0 0 0 0 163 3.243 3.504 1 U 9.46e+06 0 e 0 0 0 0 164 1.626 7.920 1 U 6.25e+06 0 e 0 0 0 0 165 1.761 7.917 1 U 3.7e+06 0 e 0 0 0 0 166 3.966 7.693 1 U 3.11e+06 0 e 0 0 0 0 167 1.136 7.793 1 U 3.75e+06 0 e 0 0 0 0 168 3.416 7.691 1 U 2e+06 0 e 0 0 0 0 169 4.191 8.024 1 U 7.14e+06 0 e 0 0 0 0 170 1.626 7.870 1 U 9.23e+06 0 e 0 0 0 0 171 1.764 7.873 1 U 6.77e+06 0 e 0 0 0 0 172 7.689 0.910 1 U 1.02e+07 0 e 0 0 0 0 173 7.689 0.823 1 U 9.13e+06 0 e 0 0 0 0 174 7.839 0.909 1 U 1.59e+07 0 e 0 0 0 0 175 8.084 0.861 1 U 2.69e+07 0 e 0 0 0 0 176 8.051 0.908 1 U 8.26e+06 0 e 0 0 0 0 177 8.050 0.826 1 U 1.06e+07 0 e 0 0 0 0 178 7.821 0.823 1 U 1.03e+07 0 e 0 0 0 0 179 4.131 7.693 1 U 5.19e+06 0 e 0 235 269 0 180 1.476 7.694 1 U 3.07e+06 0 e 0 0 0 0 181 1.437 7.692 1 U 2.46e+06 0 e 0 0 0 0 182 4.304 7.163 1 U 5.82e+06 0 e 0 0 0 0 183 4.312 6.955 1 U 3.1e+06 0 e 0 0 0 0 184 0.915 8.055 1 U 3.82e+06 0 e 0 0 0 0 185 0.824 8.055 1 U 9.35e+06 0 e 0 0 0 0 186 0.665 8.073 1 U 1.17e+07 0 e 0 0 0 0 187 1.842 8.216 1 U 2.61e+06 0 e 0 0 0 0 188 1.586 7.873 1 U 7.96e+06 0 e 0 0 0 0 189 1.969 8.048 1 U 9.87e+06 0 e 0 0 0 0 190 4.307 8.065 1 U 4.53e+06 0 e 0 0 0 0 191 3.832 7.356 1 U 1.75e+06 0 e 0 0 0 0 192 4.429 7.922 1 U 3.38e+06 0 e 0 0 0 0 193 7.210 7.884 1 U 4.83e+06 0 e 0 0 0 0 194 6.830 8.070 1 U 1.53e+06 0 e 0 0 0 0 195 7.145 7.884 1 U 3.81e+06 0 e 0 0 0 0 196 7.015 7.881 1 U 2.92e+06 0 e 0 0 0 0 197 6.948 7.884 1 U 3.67e+06 0 e 0 0 0 0 198 1.343 7.875 1 U 1.52e+07 0 e 0 0 0 0 199 1.145 7.878 1 U 4.88e+06 0 e 0 0 0 0 200 1.145 7.878 1 U 4.88e+06 0 e 0 0 0 0 201 0.836 7.882 1 U 8.7e+06 0 e 0 0 0 0 202 0.799 7.881 1 U 7.91e+06 0 e 0 0 0 0 203 0.734 7.881 1 U 4.76e+06 0 e 0 0 0 0 204 0.666 7.882 1 U 5.89e+06 0 e 0 0 0 0 205 2.121 7.359 1 U 2.19e+06 0 e 0 0 0 0 206 2.289 7.162 1 U 1.84e+06 0 e 0 0 0 0 207 2.287 7.123 1 U 2.1e+06 0 e 0 0 0 0 208 2.294 7.023 1 U 1.64e+06 0 e 0 0 0 0 209 2.303 6.954 1 U 2.39e+06 0 e 0 0 0 0 210 2.248 6.957 1 U 1.02e+06 0 e 0 0 0 0 211 2.242 7.162 1 U 1.89e+06 0 e 0 0 0 0 212 2.182 6.951 1 U 1.52e+06 0 e 0 0 0 0 213 2.117 6.836 1 U 1.1e+06 0 e 0 0 0 0 214 2.130 7.211 1 U 2.32e+06 0 e 0 0 0 0 215 2.128 7.020 1 U 4.06e+06 0 e 0 0 0 0 216 2.114 7.161 1 U 3.73e+06 0 e 0 0 0 0 217 2.122 7.122 1 U 4.61e+06 0 e 0 0 0 0 218 2.116 6.955 1 U 2.44e+06 0 e 0 0 0 0 219 2.303 8.221 1 U 4.81e+06 0 e 0 0 0 0 220 2.429 8.224 1 U 1.14e+06 0 e 0 0 0 0 221 2.141 8.132 1 U 1.17e+07 0 e 0 0 0 0 222 2.149 8.217 1 U 2.29e+06 0 e 0 0 0 0 223 2.082 8.131 1 U 1.22e+07 0 e 0 0 0 0 224 1.839 8.133 1 U 8.54e+06 0 e 0 0 0 0 225 1.789 8.214 1 U 5.18e+06 0 e 0 0 0 0 226 1.593 8.089 1 U 2.28e+06 0 e 0 0 0 0 227 1.426 8.221 1 U 4.91e+06 0 e 0 0 0 0 228 1.437 8.125 1 U 7.04e+06 0 e 0 0 0 0 229 1.260 7.877 1 U 3.31e+06 0 e 0 0 0 0 230 1.189 7.880 1 U 3.71e+06 0 e 0 0 0 0 231 1.263 8.093 1 U 3.83e+06 0 e 0 0 0 0 232 1.256 8.214 1 U 4.75e+06 0 e 0 0 0 0 233 1.258 8.055 1 U 3.82e+06 0 e 0 0 0 0 234 1.187 8.090 1 U 4.59e+06 0 e 0 0 0 0 235 1.190 8.217 1 U 2.95e+06 0 e 0 0 0 0 236 1.142 8.217 1 U 3.14e+06 0 e 0 0 0 0 237 1.141 8.088 1 U 5.54e+06 0 e 0 0 0 0 238 0.878 8.206 1 U 5.49e+06 0 e 0 0 0 0 239 0.850 8.235 1 U 7.21e+06 0 e 0 0 0 0 240 0.852 8.089 1 U 2.77e+07 0 e 0 70 67 0 241 0.827 8.214 1 U 6.48e+06 0 e 0 0 0 0 242 0.796 8.087 1 U 5.69e+06 0 e 0 0 0 0 243 0.792 8.230 1 U 3.3e+06 0 e 0 0 0 0 244 0.734 8.221 1 U 1.66e+06 0 e 0 0 0 0 245 0.732 8.067 1 U 3.33e+06 0 e 0 0 0 0 246 0.664 8.220 1 U 2.36e+06 0 e 0 0 0 0 247 3.422 7.880 1 U 3.85e+06 0 e 0 0 0 0 248 7.692 7.881 1 U 4.17e+06 0 e 0 0 0 0 249 8.109 7.882 1 U 1.19e+07 0 e 0 0 0 0 250 7.876 8.075 1 U 1.46e+07 0 e 0 0 0 0 251 7.205 8.075 1 U 5.26e+06 0 e 0 0 0 0 252 7.125 8.062 1 U 2.88e+06 0 e 0 0 0 0 253 7.121 8.103 1 U 3.89e+06 0 e 0 0 0 0 254 6.679 7.880 1 U 1.23e+06 0 e 0 0 0 0 255 4.192 8.222 1 U 7.02e+06 0 e 0 0 0 0 256 3.817 8.074 1 U 3.64e+06 0 e 0 0 0 0 257 3.504 7.122 1 U 9.29e+06 0 e 0 0 0 0 258 3.502 7.019 1 U 9.2e+06 0 e 0 0 0 0 259 3.505 7.213 1 U 1.46e+07 0 e 0 0 0 0 260 3.420 7.213 1 U 1.11e+07 0 e 0 0 0 0 261 3.421 7.161 1 U 2.9e+06 0 e 0 0 0 0 262 3.420 7.122 1 U 4.49e+06 0 e 0 0 0 0 263 3.423 7.021 1 U 3.82e+06 0 e 0 0 0 0 264 3.244 7.211 1 U 1.19e+07 0 e 0 0 0 0 265 3.240 7.123 1 U 4.47e+06 0 e 0 0 0 0 266 3.244 7.024 1 U 5.2e+06 0 e 0 0 0 0 267 3.502 6.837 1 U 3.01e+06 0 e 0 0 0 0 268 3.417 6.838 1 U 3.73e+06 0 e 0 0 0 0 269 3.244 6.838 1 U 1.81e+06 0 e 0 0 0 0 270 3.154 7.213 1 U 4.77e+06 0 e 0 0 0 0 271 3.145 7.160 1 U 3.85e+06 0 e 0 0 0 0 272 4.129 8.130 1 U 8.96e+06 0 e 0 0 0 0 273 2.149 7.874 1 U 6.68e+06 0 e 0 0 0 0 274 7.876 7.692 1 U 5.83e+06 0 e 0 0 0 0 275 4.309 7.021 1 U 2.18e+07 0 e 0 0 0 0 276 4.431 6.687 1 U 4.2e+06 0 e 0 0 0 0 277 4.137 6.682 1 U 5.11e+06 0 e 0 0 0 0 278 3.998 6.683 1 U 4.07e+06 0 e 0 0 0 0 279 4.133 6.949 1 U 5.93e+06 0 e 0 0 0 0 280 4.000 6.953 1 U 8.59e+06 0 e 0 0 0 0 281 3.961 7.853 1 U 4.11e+06 0 e 0 0 0 0 282 4.086 8.061 1 U 5.12e+06 0 e 0 0 0 0 283 3.892 8.059 1 U 3.8e+06 0 e 0 0 0 0 284 3.502 1.487 1 U 8.26e+06 0 e 0 0 0 0 285 8.086 1.367 1 U 2.14e+07 0 e 0 0 0 0 286 8.205 3.157 1 U 4.1e+06 0 e 0 0 0 0 287 4.014 7.876 1 U 5.16e+06 0 e 0 0 0 0 288 3.500 4.313 1 U 2.82e+06 0 e 0 236 205 0 289 8.205 8.053 1 U 6.98e+06 0 e 0 0 0 0 290 3.417 7.843 1 U 3.25e+06 0 e 0 0 0 0 291 7.118 8.214 1 U 1.83e+06 0 e 0 0 0 0 292 7.013 8.219 1 U 3.13e+06 0 e 0 0 0 0 293 4.305 3.509 1 U 4.75e+06 0 e 0 0 0 0 294 4.125 3.505 1 U 8.16e+06 0 e 0 0 0 0 295 4.305 3.242 1 U 3.9e+06 0 e 0 0 0 0 296 3.503 3.244 1 U 9.57e+06 0 e 0 0 0 0 297 8.056 4.100 1 U 8.9e+06 0 e 0 0 0 0 298 7.869 4.071 1 U 7.98e+06 0 e 0 0 0 0 299 7.121 6.835 1 U 1.76e+07 0 e 0 0 0 0 300 4.310 7.886 1 U 6.03e+06 0 e 0 205 234 0 301 4.132 7.025 1 U 5.95e+06 0 e 0 0 0 0 302 4.193 7.017 1 U 1.88e+06 0 e 0 0 0 0 303 4.017 7.019 1 U 8.27e+06 0 e 0 0 0 0 304 4.306 7.213 1 U 8.09e+06 0 e 0 0 0 0 305 4.123 7.211 1 U 1.02e+07 0 e 0 0 0 0 306 4.126 7.121 1 U 6.06e+06 0 e 0 0 0 0 307 4.015 7.121 1 U 7.34e+06 0 e 0 0 0 0 308 1.341 4.056 1 U 1.4e+07 0 e 0 0 0 0 309 3.079 7.020 1 U 7.86e+06 0 e 0 0 0 0 310 3.023 7.026 1 U 3.2e+06 0 e 0 0 0 0 311 4.138 2.428 1 U 4.75e+06 0 e 0 0 0 0 312 4.093 2.431 1 U 1.33e+07 0 e 0 0 0 0 313 2.298 2.434 1 U 5.59e+07 0 e 0 0 0 0 314 2.431 2.312 1 U 5.73e+07 0 e 0 0 0 0 315 2.149 2.428 1 U 1.12e+07 0 e 0 0 0 0 316 2.091 2.433 1 U 1.3e+07 0 e 0 0 0 0 317 4.281 4.092 1 U 2.05e+07 0 e 0 0 0 0 318 3.963 7.882 1 U 6.77e+06 0 e 0 0 0 0 319 3.890 8.128 1 U 5.67e+06 0 e 0 0 0 0 320 3.725 4.068 1 U 2.94e+06 0 e 0 0 0 0 321 3.767 7.700 1 U 1.95e+06 0 e 0 0 0 0 322 7.814 8.078 1 U 4.24e+06 0 e 0 0 0 0 323 7.688 4.130 1 U 3.63e+06 0 e 0 0 0 0 324 7.684 3.965 1 U 2.66e+06 0 e 0 0 0 0 325 8.213 4.194 1 U 5.32e+06 0 e 0 0 0 0 326 3.071 4.192 1 U 5.44e+06 0 e 0 0 0 0 327 3.073 4.127 1 U 4.86e+06 0 e 0 0 0 0 328 2.249 8.220 1 U 1.76e+06 0 e 0 0 0 0 329 2.066 7.555 1 U 3.86e+06 0 e 0 0 0 0 330 7.687 3.774 1 U 2.36e+06 0 e 0 0 0 0 331 2.432 7.878 1 U 1.59e+06 0 e 0 0 0 0 332 3.978 7.893 1 U 5.97e+06 0 e 0 24 29 0 333 4.099 8.310 1 U 1.07e+06 0 e 0 0 0 0 334 7.780 7.521 1 U 1.96e+06 0 e 0 0 0 0 335 1.356 7.699 1 U 2.41e+06 0 e 0 0 0 0 336 1.316 7.792 1 U 4.99e+06 0 e 0 0 0 0 337 1.139 7.692 1 U 1.54e+06 0 e 0 0 0 0 338 2.432 7.561 1 U 1.35e+06 0 e 0 0 0 0 339 3.151 3.510 1 U 3.81e+06 0 e 0 0 0 0 340 1.469 8.217 1 U 3.95e+06 0 e 0 0 0 0 341 1.463 4.188 1 U 4.92e+06 0 e 0 0 0 0 342 1.363 4.186 1 U 8.59e+06 0 e 0 131 109 0 343 8.202 1.483 1 U 5.66e+06 0 e 0 0 0 0 344 8.204 1.251 1 U 3.89e+06 0 e 0 0 0 0 345 8.206 1.196 1 U 4.36e+06 0 e 0 0 0 0 346 3.068 7.882 1 U 1.83e+06 0 e 0 0 0 0 347 3.076 8.046 1 U 1.82e+06 0 e 0 0 0 0 348 1.434 8.076 1 U 1.14e+07 0 e 0 0 0 0 349 1.586 8.044 1 U 3.86e+06 0 e 0 0 0 0 350 1.969 7.883 1 U 4.71e+06 0 e 0 0 0 0 351 1.570 0.741 1 U 3.04e+07 0 e 0 105 103 0 352 1.572 0.786 1 U 3.67e+07 0 e 0 0 0 0 353 2.057 0.859 1 U 9.42e+07 0 e 0 69 70 0 354 1.974 0.828 1 U 2.68e+07 0 e 0 0 0 0 355 1.970 0.743 1 U 3.71e+06 0 e 0 0 0 0 356 1.968 0.669 1 U 5.36e+06 0 e 0 0 0 0 357 3.241 3.423 1 U 2.54e+06 0 e 0 0 0 0 358 3.420 3.512 1 U 5.93e+06 0 e 0 0 0 0 359 3.512 3.422 1 U 8e+06 0 e 0 0 0 0 360 3.420 3.421 1 U 8.23e+07 0 e 0 0 0 0 361 3.514 3.515 1 U 8.05e+07 0 e 0 0 0 0 362 3.421 4.127 1 U 2.73e+06 0 e 0 0 0 0 363 1.855 4.143 1 U 2.51e+07 0 e 0 184 162 0 364 1.784 3.838 1 U 2.37e+06 0 e 0 0 0 0 365 1.845 3.837 1 U 3.14e+06 0 e 0 0 0 0 366 1.434 4.062 1 U 5.91e+06 0 e 0 0 0 0 367 2.424 4.130 1 U 4.44e+06 0 e 0 0 0 0 368 2.125 4.149 1 U 1.49e+07 0 e 0 0 0 0 369 2.067 4.147 1 U 4.01e+07 0 e 0 0 0 0 370 1.770 3.968 1 U 2.24e+06 0 e 0 0 0 0 371 1.851 3.963 1 U 2.72e+06 0 e 0 0 0 0 372 1.856 4.121 1 U 1.3e+07 0 e 0 0 0 0 373 1.440 3.896 1 U 2.21e+07 0 e 0 189 163 0 374 3.149 3.891 1 U 3.28e+06 0 e 0 0 0 0 375 1.839 3.153 1 U 4.35e+06 0 e 0 0 0 0 376 1.838 3.038 1 U 5.86e+06 0 e 0 0 0 0 377 1.788 3.159 1 U 2.78e+06 0 e 0 0 0 0 378 1.790 3.035 1 U 3.41e+06 0 e 0 0 0 0 379 1.791 3.893 1 U 8.74e+06 0 e 0 0 0 0 380 1.967 3.163 1 U 2.17e+06 0 e 0 0 0 0 381 1.321 3.891 1 U 1.09e+07 0 e 0 0 0 0 382 1.259 3.892 1 U 5.48e+06 0 e 0 0 0 0 383 1.189 3.894 1 U 5.11e+06 0 e 0 0 0 0 384 1.140 3.887 1 U 7.38e+06 0 e 0 0 0 0 385 1.589 3.077 1 U 2.6e+07 0 e 0 0 0 0 386 1.973 3.978 1 U 3.8e+06 0 e 0 0 0 0 387 1.430 3.840 1 U 5.76e+06 0 e 0 0 0 0 388 1.344 3.842 1 U 5.95e+06 0 e 0 0 0 0 389 2.900 4.014 1 U 2.27e+06 0 e 0 91 68 0 390 3.865 4.254 1 U 5.4e+06 0 e 0 0 0 0 391 3.818 4.253 1 U 5.5e+06 0 e 0 0 0 0 392 2.257 4.251 1 U 2.63e+06 0 e 0 0 0 0 393 2.158 4.195 1 U 3.94e+06 0 e 0 0 0 0 394 1.935 4.251 1 U -6.89e+05 0 e 0 0 0 0 395 2.050 4.332 1 U 1.39e+06 0 e 0 0 0 0 396 2.260 4.322 1 U 1.06e+06 0 e 0 0 0 0 397 1.572 4.151 1 U 1.33e+07 0 e 0 0 0 0 398 1.469 4.141 1 U 1.94e+07 0 e 0 0 0 0 399 2.070 4.125 1 U 3.47e+07 0 e 0 122 120 0 400 1.835 4.123 1 U 1.26e+07 0 e 0 187 120 0 401 4.091 4.281 1 U 1.7e+07 0 e 0 0 0 0 402 4.168 4.274 1 U 1.62e+07 0 e 0 0 0 0 403 4.243 3.871 1 U 1.17e+07 0 e 0 0 0 0 404 4.267 3.827 1 U 8.74e+06 0 e 0 0 0 0 405 4.246 3.824 1 U 1.26e+07 0 e 0 0 0 0 406 4.270 3.872 1 U 8.47e+06 0 e 0 0 0 0 407 4.127 8.064 1 U 9.56e+06 0 e 0 0 0 0 408 1.192 8.065 1 U 3.78e+06 0 e 0 0 0 0 409 1.123 8.034 1 U 2.81e+06 0 e 0 50 47 0 410 4.411 7.886 1 U 3.23e+06 0 e 0 0 0 0 411 4.424 8.222 1 U 8.81e+05 0 e 0 0 0 0 412 4.281 8.152 1 U 1.64e+06 0 e 0 0 0 0 413 8.343 2.658 1 U 1.13e+06 0 e 0 0 0 0 414 8.342 2.697 1 U 1.31e+06 0 e 0 0 0 0 415 2.064 8.220 1 U 1.19e+07 0 e 0 0 0 0 416 4.258 8.083 1 U 2.21e+06 0 e 0 0 0 0 417 7.872 8.218 1 U 3.45e+06 0 e 0 0 0 0 418 3.499 7.695 1 U 1.45e+06 0 e 0 0 0 0 419 8.209 8.100 1 U 9.31e+06 0 e 0 0 0 0 420 8.050 8.220 1 U 6.26e+06 0 e 0 0 0 0 421 8.066 1.447 1 U 1.26e+07 0 e 0 0 0 0 422 2.181 4.143 1 U 2.32e+07 0 e 0 183 162 0 423 8.060 7.885 1 U 1.64e+07 0 e 0 0 0 0 424 8.062 3.250 1 U 4.48e+06 0 e 0 0 0 0 425 8.062 3.166 1 U 3.3e+06 0 e 0 0 0 0 426 1.642 8.072 1 U 8.02e+06 0 e 0 0 0 0 427 4.647 3.081 1 U 8.58e+06 0 e 0 0 0 0 428 4.644 2.956 1 U 9.31e+06 0 e 0 38 40 0 429 2.121 7.793 1 U 3.93e+06 0 e 0 0 0 0 430 2.070 7.791 1 U 5.86e+06 0 e 0 0 0 0 431 2.922 4.069 1 U 5.33e+06 0 e 0 289 284 0 432 1.855 2.065 1 U 5.68e+07 0 e 0 0 0 0 433 2.120 4.032 1 U 2.12e+06 0 e 0 0 0 0 434 0.667 7.692 1 U 2.2e+06 0 e 0 0 0 0 435 1.472 8.124 1 U 6.49e+06 0 e 0 0 0 0 436 1.443 7.559 1 U 2.54e+06 0 e 0 0 0 0 437 1.136 7.555 1 U 2.5e+06 0 e 0 0 0 0 438 0.819 7.795 1 U 4.48e+06 0 e 0 0 0 0 439 2.925 7.361 1 U 2.23e+06 0 e 0 0 0 0 440 3.152 7.876 1 U 3.33e+06 0 e 0 0 0 0 441 2.949 7.879 1 U 4.5e+06 0 e 0 0 0 0 442 2.899 7.871 1 U 4.41e+06 0 e 0 0 0 0 443 3.022 7.878 1 U 1.92e+06 0 e 0 0 0 0 444 8.203 1.437 1 U 4.1e+06 0 e 0 0 0 0 445 7.510 0.910 1 U 1.69e+06 0 e 0 0 0 0 446 7.510 0.867 1 U 1.56e+06 0 e 0 0 0 0 447 7.513 0.826 1 U 1.75e+06 0 e 0 0 0 0 448 7.352 0.823 1 U 2.62e+06 0 e 0 0 0 0 449 7.357 0.793 1 U 1.7e+06 0 e 0 0 0 0 450 7.358 0.744 1 U 1.36e+06 0 e 0 0 0 0 451 7.358 0.667 1 U 2.58e+06 0 e 0 0 0 0 452 7.341 0.912 1 U 1.54e+06 0 e 0 0 0 0 453 7.351 0.852 1 U 2.56e+06 0 e 0 0 0 0 454 7.202 0.912 1 U 2.55e+06 0 e 0 0 0 0 455 7.206 0.858 1 U 7.59e+06 0 e 0 0 0 0 456 7.213 0.824 1 U 6.16e+06 0 e 0 0 0 0 457 7.213 0.800 1 U 2.7e+06 0 e 0 0 0 0 458 7.204 0.743 1 U 2.75e+06 0 e 0 0 0 0 459 7.205 0.673 1 U 1.92e+07 0 e 0 0 0 0 460 7.208 1.057 1 U 1.35e+06 0 e 0 0 0 0 461 7.161 1.055 1 U 3.11e+06 0 e 0 0 0 0 462 7.119 0.791 1 U 1.07e+07 0 e 0 0 0 0 463 7.008 0.791 1 U 8.53e+06 0 e 0 0 0 0 464 7.118 0.908 1 U 7.55e+06 0 e 0 0 0 0 465 7.115 0.867 1 U 1.52e+07 0 e 0 0 0 0 466 7.116 0.828 1 U 2.77e+07 0 e 0 0 0 0 467 7.117 0.739 1 U 9e+06 0 e 0 0 0 0 468 7.116 0.669 1 U 5.15e+07 0 e 0 0 0 0 469 7.014 0.909 1 U 4.92e+06 0 e 0 0 0 0 470 7.015 0.861 1 U 1.2e+07 0 e 0 0 0 0 471 7.018 0.829 1 U 1.92e+07 0 e 0 0 0 0 472 7.014 0.670 1 U 2.28e+07 0 e 0 0 0 0 473 7.025 0.586 1 U 8.75e+05 0 e 0 0 0 0 474 7.010 0.739 1 U 7.03e+06 0 e 0 0 0 0 475 6.953 0.911 1 U 1.73e+06 0 e 0 0 0 0 476 6.950 0.858 1 U 1.07e+07 0 e 0 0 0 0 477 6.950 0.830 1 U 5.59e+06 0 e 0 0 0 0 478 6.950 0.790 1 U 5.29e+06 0 e 0 0 0 0 479 6.950 0.739 1 U 9.88e+06 0 e 0 0 0 0 480 6.951 0.672 1 U 4.57e+06 0 e 0 0 0 0 481 6.842 0.741 1 U 2.37e+06 0 e 0 0 0 0 482 6.833 0.909 1 U 2.11e+06 0 e 0 0 0 0 483 6.837 0.861 1 U 3.32e+06 0 e 0 0 0 0 484 6.835 0.827 1 U 4.57e+06 0 e 0 0 0 0 485 6.834 0.673 1 U 1.86e+07 0 e 0 0 0 0 486 8.192 0.671 1 U 3.44e+06 0 e 0 0 0 0 487 8.068 0.672 1 U 1.44e+07 0 e 0 0 0 0 488 7.870 0.670 1 U 7.83e+06 0 e 0 0 0 0 489 7.819 0.668 1 U 4.83e+06 0 e 0 0 0 0 490 8.223 1.141 1 U 4.02e+06 0 e 0 0 0 0 491 8.207 0.876 1 U 8.97e+06 0 e 0 0 0 0 492 8.208 0.827 1 U 8.85e+06 0 e 0 0 0 0 493 8.082 0.828 1 U 9.98e+06 0 e 0 0 0 0 494 8.108 1.259 1 U 3.04e+06 0 e 0 0 0 0 495 8.094 1.188 1 U 6.02e+06 0 e 0 0 0 0 496 8.115 1.141 1 U 5.63e+06 0 e 0 0 0 0 497 8.083 0.740 1 U 3.71e+06 0 e 0 0 0 0 498 8.087 0.789 1 U 4.82e+06 0 e 0 0 0 0 499 8.057 1.263 1 U 3.05e+06 0 e 0 0 0 0 500 8.045 1.183 1 U 4.63e+06 0 e 0 0 0 0 501 8.059 1.140 1 U 6.08e+06 0 e 0 0 0 0 502 8.051 0.876 1 U 1.3e+07 0 e 0 0 0 0 503 7.873 0.791 1 U 7.02e+06 0 e 0 0 0 0 504 7.880 0.740 1 U 6.23e+06 0 e 0 0 0 0 505 7.872 0.870 1 U 6.26e+06 0 e 0 0 0 0 506 7.860 0.822 1 U 1.27e+07 0 e 0 0 0 0 507 7.772 0.868 1 U 3.49e+06 0 e 0 0 0 0 508 7.354 2.928 1 U 2.02e+06 0 e 0 0 0 0 509 6.677 0.858 1 U 6.99e+06 0 e 0 0 0 0 510 6.677 0.825 1 U 4.18e+06 0 e 0 0 0 0 511 6.679 0.790 1 U 3.99e+06 0 e 0 0 0 0 512 6.678 0.739 1 U 5.84e+06 0 e 0 0 0 0 513 6.676 0.670 1 U 2.39e+06 0 e 0 0 0 0 514 7.871 3.076 1 U 2.27e+06 0 e 0 0 0 0 515 7.871 3.040 1 U 1.91e+06 0 e 0 0 0 0 516 1.180 4.018 1 U 6.88e+06 0 e 0 0 0 0 517 1.137 4.015 1 U 7.41e+06 0 e 0 0 0 0 518 1.186 3.980 1 U 4.31e+06 0 e 0 0 0 0 519 1.135 3.977 1 U 6.58e+06 0 e 0 0 0 0 520 1.185 3.835 1 U 3.84e+06 0 e 0 0 0 0 521 1.134 3.827 1 U 7.09e+06 0 e 0 0 0 0 522 1.590 3.827 1 U 2.95e+06 0 e 0 0 0 0 523 1.625 3.765 1 U 2.11e+06 0 e 0 0 0 0 524 1.595 3.767 1 U 2.54e+06 0 e 0 0 0 0 525 1.476 3.773 1 U 2.14e+06 0 e 0 0 0 0 526 1.426 3.779 1 U 2.9e+06 0 e 0 0 0 0 527 1.348 3.778 1 U 2.94e+06 0 e 0 0 0 0 528 1.126 3.778 1 U 2.75e+06 0 e 0 0 0 0 529 1.587 4.191 1 U 1.32e+07 0 e 0 0 0 0 530 2.076 3.147 1 U 2.22e+06 0 e 0 0 0 0 531 2.057 2.921 1 U 1.46e+06 0 e 0 0 0 0 532 2.064 3.081 1 U 2.03e+06 0 e 0 0 0 0 533 2.067 3.042 1 U 1.97e+06 0 e 0 0 0 0 534 2.061 2.956 1 U 2.11e+06 0 e 0 0 0 0 535 2.183 3.146 1 U 2.4e+06 0 e 0 0 0 0 536 2.131 3.083 1 U 1.65e+06 0 e 0 0 0 0 537 2.125 3.149 1 U 2.08e+06 0 e 0 0 0 0 538 2.183 3.033 1 U 3.46e+06 0 e 0 0 0 0 539 2.114 3.042 1 U 1.89e+06 0 e 0 0 0 0 540 2.297 3.155 1 U 1.13e+06 0 e 0 0 0 0 541 2.147 2.932 1 U 1.62e+06 0 e 0 0 0 0 542 2.152 3.516 1 U 1.88e+06 0 e 0 0 0 0 543 2.156 3.420 1 U 1.74e+06 0 e 0 0 0 0 544 2.063 3.881 1 U 4.79e+06 0 e 0 0 0 0 545 2.051 3.941 1 U 3.63e+06 0 e 0 0 0 0 546 2.050 3.830 1 U 3.29e+06 0 e 0 0 0 0 547 1.855 3.772 1 U 2.11e+06 0 e 0 0 0 0 548 1.784 3.769 1 U 1.89e+06 0 e 0 0 0 0 549 1.757 3.725 1 U 3.9e+06 0 e 0 0 0 0 550 2.056 3.776 1 U 1.88e+06 0 e 0 0 0 0 551 2.260 4.189 1 U 8.31e+06 0 e 0 0 0 0 552 3.419 2.936 1 U 2.22e+06 0 e 0 0 0 0 553 3.497 3.080 1 U 2.24e+06 0 e 0 0 0 0 554 3.504 3.157 1 U 2.9e+06 0 e 0 0 0 0 555 3.422 3.246 1 U 1.96e+06 0 e 0 0 0 0 556 2.919 3.421 1 U 2.55e+06 0 e 0 0 0 0 557 3.419 3.833 1 U 1.77e+06 0 e 0 0 0 0 558 3.500 3.892 1 U 2.44e+06 0 e 0 0 0 0 559 3.499 3.834 1 U 1.85e+06 0 e 0 0 0 0 560 3.500 3.970 1 U 2.57e+06 0 e 0 0 0 0 561 3.155 4.130 1 U 4.52e+06 0 e 0 0 0 0 562 3.022 4.131 1 U 2.36e+06 0 e 0 0 0 0 563 2.943 4.145 1 U 2.24e+06 0 e 0 0 0 0 564 2.909 4.142 1 U 1.99e+06 0 e 0 0 0 0 565 3.761 4.199 1 U 4.11e+06 0 e 0 0 0 0 566 3.765 4.127 1 U 3.17e+06 0 e 0 0 0 0 567 3.822 4.200 1 U 5.95e+06 0 e 0 0 0 0 568 3.780 4.068 1 U 2.32e+06 0 e 0 0 0 0 569 4.022 3.155 1 U 4.47e+06 0 e 0 0 0 0 570 3.891 3.148 1 U 2.86e+06 0 e 0 0 0 0 571 4.192 3.072 1 U 8.03e+06 0 e 0 0 0 0 572 4.127 3.072 1 U 6.22e+06 0 e 0 0 0 0 573 4.126 3.422 1 U 3.14e+06 0 e 0 0 0 0 574 3.965 3.515 1 U 3.01e+06 0 e 0 0 0 0 575 3.892 3.517 1 U 3.44e+06 0 e 0 0 0 0 576 4.308 6.834 1 U 1.64e+06 0 e 0 0 0 0 577 4.127 6.839 1 U 1.95e+06 0 e 0 0 0 0 578 4.309 6.681 1 U 1.91e+06 0 e 0 0 0 0 579 4.192 6.680 1 U 2.5e+06 0 e 0 0 0 0 580 3.826 7.021 1 U 2.89e+06 0 e 0 0 0 0 581 3.880 7.024 1 U 3.21e+06 0 e 0 0 0 0 582 3.883 7.123 1 U 3.75e+06 0 e 0 0 0 0 583 3.825 7.123 1 U 3.17e+06 0 e 0 0 0 0 584 3.986 7.159 1 U 2.6e+06 0 e 0 0 0 0 585 3.881 7.158 1 U 3.58e+06 0 e 0 0 0 0 586 3.820 7.159 1 U 3.61e+06 0 e 0 0 0 0 587 3.747 7.164 1 U 2.75e+06 0 e 0 0 0 0 588 4.004 7.211 1 U 1.76e+06 0 e 0 0 0 0 589 3.959 7.214 1 U 1.99e+06 0 e 0 0 0 0 590 3.956 7.159 1 U 2.79e+06 0 e 0 0 0 0 591 3.880 7.208 1 U 2.23e+06 0 e 0 0 0 0 592 3.814 7.211 1 U 2.21e+06 0 e 0 0 0 0 593 4.306 7.121 1 U 1.25e+07 0 e 0 0 0 0 594 3.150 6.840 1 U 1.44e+06 0 e 0 0 0 0 595 2.923 6.840 1 U 1.52e+06 0 e 0 0 0 0 596 7.014 8.104 1 U 6.46e+06 0 e 0 0 0 0 597 7.121 8.103 1 U 3.89e+06 0 e 0 0 0 0 598 7.868 8.124 1 U 1.01e+07 0 e 0 0 0 0 599 2.140 8.096 1 U 6.41e+06 0 e 0 0 0 0 600 2.074 7.875 1 U 4.6e+06 0 e 0 0 0 0 601 2.293 7.880 1 U 2.95e+06 0 e 0 0 0 0 602 7.868 2.432 1 U 1.74e+06 0 e 0 0 0 0 603 7.882 3.250 1 U 8.03e+06 0 e 0 0 0 0 604 7.873 3.151 1 U 2.56e+06 0 e 0 0 0 0 605 2.143 8.051 1 U 3.87e+06 0 e 0 0 0 0 606 2.289 8.064 1 U 2.07e+06 0 e 0 0 0 0 607 4.126 3.153 1 U 3.3e+06 0 e 0 0 0 0 608 4.125 3.244 1 U 9.63e+06 0 e 0 0 0 0 609 7.149 7.366 1 U 4.33e+06 0 e 0 0 0 0 610 3.080 7.210 1 U 5.47e+06 0 e 0 0 0 0 611 2.946 7.210 1 U 5.04e+06 0 e 0 0 0 0 612 4.646 7.151 1 U 1.12e+07 0 e 0 0 0 0 613 4.189 7.880 1 U 4.77e+06 0 e 0 0 0 0 614 3.834 7.880 1 U 5.58e+06 0 e 0 0 0 0 615 3.957 7.795 1 U 1.69e+06 0 e 0 0 0 0 616 2.430 8.098 1 U 2.98e+06 0 e 0 0 0 0 617 2.297 8.098 1 U 4.65e+06 0 e 0 0 0 0 618 4.100 7.976 1 U 1.24e+06 0 e 0 0 0 0 619 3.893 8.223 1 U 6.04e+06 0 e 0 0 0 0 620 4.009 8.219 1 U 3.72e+06 0 e 0 0 0 0 621 4.409 8.087 1 U 2.04e+06 0 e 0 0 0 0 622 0.667 2.146 1 U 4.44e+06 0 e 0 0 0 0 623 0.732 2.310 1 U 2.7e+06 0 e 0 0 0 0 624 0.667 2.074 1 U 2.94e+06 0 e 0 0 0 0 625 0.666 1.972 1 U 3.81e+06 0 e 0 0 0 0 626 0.663 1.785 1 U 4.86e+06 0 e 0 0 0 0 627 0.661 1.653 1 U 2.09e+07 0 e 0 0 0 0 628 1.473 2.425 1 U 2.93e+06 0 e 0 0 0 0 629 1.357 2.310 1 U 5.72e+06 0 e 0 0 0 0 630 1.438 2.311 1 U 4.8e+06 0 e 0 0 0 0 631 1.466 2.306 1 U 5.11e+06 0 e 0 0 0 0 632 0.743 2.066 1 U 3.3e+06 0 e 0 0 0 0 633 0.742 1.977 1 U 1.99e+06 0 e 0 0 0 0 634 0.841 2.294 1 U 3.3e+06 0 e 0 0 0 0 635 0.819 2.159 1 U 2.89e+07 0 e 0 0 0 0 636 0.793 2.068 1 U 7.62e+06 0 e 0 0 0 0 637 0.827 1.976 1 U 1.71e+07 0 e 0 0 0 0 638 0.873 1.976 1 U 2.14e+07 0 e 0 0 0 0 639 0.852 2.062 1 U 7.63e+07 0 e 0 0 0 0 640 0.903 2.159 1 U 2.79e+07 0 e 0 0 0 0 641 0.879 1.792 1 U 1.41e+07 0 e 0 0 0 0 642 0.826 1.790 1 U 2.19e+07 0 e 0 0 0 0 643 1.176 2.305 1 U 2.1e+06 0 e 0 0 0 0 644 1.132 2.298 1 U 2.97e+06 0 e 0 0 0 0 645 1.474 1.975 1 U 6.82e+06 0 e 0 0 0 0 646 1.445 1.976 1 U 6.03e+06 0 e 0 0 0 0 647 1.357 1.979 1 U 5.22e+06 0 e 0 0 0 0 648 1.336 1.975 1 U 5.25e+06 0 e 0 0 0 0 649 1.533 1.225 1 U 6.54e+06 0 e 0 0 0 0 650 1.258 1.974 1 U 8.28e+06 0 e 0 0 0 0 651 1.141 1.976 1 U 6.67e+06 0 e 0 0 0 0 652 1.360 2.074 1 U 8.3e+06 0 e 0 0 0 0 653 1.445 2.178 1 U 1.08e+07 0 e 0 0 0 0 654 1.359 2.158 1 U 6.4e+06 0 e 0 0 0 0 655 1.135 2.187 1 U 1.17e+07 0 e 0 0 0 0 656 1.337 1.764 1 U 1.28e+07 0 e 0 0 0 0 657 1.326 1.840 1 U 1.09e+07 0 e 0 0 0 0 658 1.258 1.793 1 U 1.88e+07 0 e 0 219 220 0 659 1.139 1.848 1 U 6.26e+06 0 e 0 0 0 0 660 1.143 1.789 1 U 8.16e+06 0 e 0 0 0 0 661 1.632 1.756 1 U 4.98e+07 0 e 0 0 0 0 662 1.594 1.857 1 U 1.33e+07 0 e 0 0 0 0 663 1.443 1.843 1 U 2.3e+07 0 e 0 0 0 0 664 1.436 1.765 1 U 1.29e+07 0 e 0 0 0 0 665 1.590 1.782 1 U 2.14e+07 0 e 0 0 0 0 666 0.667 0.908 1 U 2.42e+07 0 e 0 0 0 0 667 0.667 0.871 1 U 3.14e+07 0 e 0 0 0 0 668 0.667 0.824 1 U 5.55e+07 0 e 0 0 0 0 669 0.665 1.190 1 U 5.47e+07 0 e 0 0 0 0 670 0.664 1.144 1 U 4.54e+07 0 e 0 0 0 0 671 0.665 1.443 1 U 4.38e+07 0 e 0 0 0 0 672 0.666 1.362 1 U 3.56e+07 0 e 0 0 0 0 673 0.733 1.190 1 U 2.65e+07 0 e 0 0 0 0 674 0.736 1.143 1 U 2.34e+07 0 e 0 0 0 0 675 0.732 1.573 1 U 2.08e+07 0 e 0 0 0 0 676 0.734 1.483 1 U 1.91e+07 0 e 0 0 0 0 677 0.741 2.159 1 U 2.68e+06 0 e 0 0 0 0 678 0.823 1.356 1 U 2.89e+07 0 e 0 0 0 0 679 0.824 1.448 1 U 2.48e+07 0 e 0 0 0 0 680 0.790 1.483 1 U 2.43e+07 0 e 0 0 0 0 681 0.786 1.580 1 U 2.81e+07 0 e 0 0 0 0 682 0.891 1.645 1 U 8.59e+06 0 e 0 0 0 0 683 0.891 1.610 1 U 7.66e+06 0 e 0 0 0 0 684 1.139 1.449 1 U 8.16e+07 0 e 0 169 168 0 685 1.252 0.666 1 U 1.5e+07 0 e 0 0 0 0 686 1.471 0.739 1 U 2.6e+07 0 e 0 102 103 0 687 1.351 0.740 1 U 1.52e+07 0 e 0 0 0 0 688 1.471 0.788 1 U 3.32e+07 0 e 0 0 0 0 689 1.479 0.908 1 U 2.22e+07 0 e 0 0 0 0 690 1.467 0.871 1 U 2.38e+07 0 e 0 0 0 0 691 1.259 0.875 1 U 4.58e+07 0 e 0 0 0 0 692 1.445 1.138 1 U 1.08e+08 0 e 0 0 0 0 693 1.345 1.177 1 U 4.36e+07 0 e 0 0 0 0 694 1.348 1.141 1 U 4.39e+07 0 e 0 0 0 0 695 3.955 3.078 1 U 1.74e+07 0 e 0 5 6 0 696 3.954 3.029 1 U 1.66e+07 0 e 0 5 7 0 697 4.321 8.617 1 U 1.14e+06 0 e 0 12 17 0 698 1.331 4.324 1 U -3.86e+07 0 e 0 13 12 0 699 1.339 8.616 1 U 3.8e+05 0 e 0 13 17 0 700 4.257 8.619 1 U 1.1e+06 0 e 0 18 17 0 701 4.258 8.420 1 U 5.05e+05 0 e 0 18 23 0 702 1.941 8.621 1 U 4.68e+05 0 e 0 20 17 0 703 3.929 7.891 1 U 1.98e+06 0 e 0 25 29 0 704 4.289 7.891 1 U 2.41e+06 0 e 0 30 29 0 705 4.287 8.316 1 U 1.66e+06 0 e 0 30 37 0 706 4.102 7.891 1 U 1.16e+07 0 e 0 31 29 0 707 1.052 7.888 1 U 1.01e+06 0 e 0 32 29 0 708 1.055 4.292 1 U 2.29e+07 0 e 0 32 30 0 709 1.056 4.095 1 U 3.47e+07 0 e 0 32 31 0 710 4.654 8.314 1 U 6.28e+05 0 e 0 38 37 0 711 4.655 8.035 1 U 1.8e+06 0 e 0 38 47 0 712 3.080 8.320 1 U 8.01e+05 0 e 0 39 37 0 713 3.079 7.156 1 U 2.5e+07 0 e 0 39 42 0 714 2.952 8.316 1 U 8.92e+05 0 e 0 40 37 0 715 2.949 7.155 1 U 2.24e+07 0 e 0 40 42 0 716 7.156 7.208 1 U 2.63e+08 0 e 0 42 43 0 717 4.279 8.035 1 U 1.4e+06 0 e 0 48 47 0 718 4.182 8.036 1 U 6.19e+06 0 e 0 49 47 0 719 1.117 4.269 1 U 1.3e+07 0 e 0 50 48 0 720 1.118 4.174 1 U 2.72e+07 0 e 0 50 49 0 721 4.407 8.157 1 U 4.26e+05 0 e 0 54 53 0 722 4.404 3.877 1 U 2.64e+07 0 e 0 54 55 0 723 4.404 3.822 1 U 2.78e+07 0 e 0 54 56 0 724 4.408 8.350 1 U 2.36e+06 0 e 0 54 59 0 725 3.879 8.151 1 U 3.18e+06 0 e 0 55 53 0 726 3.870 4.410 1 U 6.55e+06 0 e 0 55 54 0 727 3.876 8.346 1 U 1.05e+06 0 e 0 55 59 0 728 3.817 8.153 1 U 8.87e+05 0 e 0 56 53 0 729 3.812 4.412 1 U 7.68e+06 0 e 0 56 54 0 730 3.812 8.345 1 U 6.66e+05 0 e 0 56 59 0 731 8.340 3.876 1 U 1.1e+06 0 e 0 59 55 0 732 8.340 3.824 1 U 8.77e+05 0 e 0 59 56 0 733 4.637 8.347 1 U 1.63e+06 0 e 0 60 59 0 734 4.634 2.698 1 U 2.27e+07 0 e 0 60 61 0 735 4.633 2.655 1 U 1.89e+07 0 e 0 60 62 0 736 4.633 8.090 1 U 1.38e+07 0 e 0 60 67 0 737 2.702 8.343 1 U 1.33e+06 0 e 0 61 59 0 738 2.701 8.088 1 U 3.09e+06 0 e 0 61 67 0 739 2.642 8.348 1 U 1.41e+06 0 e 0 62 59 0 740 2.643 8.090 1 U 3.56e+06 0 e 0 62 67 0 741 8.086 2.699 1 U 3.63e+06 0 e 0 67 61 0 742 8.083 2.655 1 U 2.96e+06 0 e 0 67 62 0 743 4.011 8.094 1 U 1.19e+07 0 e 0 68 67 0 744 4.007 8.236 1 U 3.65e+06 0 e 0 68 74 0 745 2.060 4.274 1 U 5.6e+06 0 e 0 69 48 0 746 2.060 8.092 1 U 1.43e+07 0 e 0 69 67 0 747 2.057 4.002 1 U 1.2e+07 0 e 0 69 68 0 748 2.062 8.240 1 U 8.57e+06 0 e 0 69 74 0 749 4.255 8.238 1 U 1.67e+06 0 e 0 75 74 0 750 3.870 8.241 1 U 6.6e+06 0 e 0 76 74 0 751 3.828 8.242 1 U 3.86e+06 0 e 0 77 74 0 752 4.340 8.081 1 U 2.12e+06 0 e 0 81 80 0 753 4.335 3.802 1 U 2.02e+07 0 e 0 81 82 0 754 4.334 3.776 1 U 1.97e+07 0 e 0 81 83 0 755 4.342 7.897 1 U 3.17e+06 0 e 0 81 88 0 756 3.796 4.338 1 U 8.43e+06 0 e 0 82 81 0 757 3.779 8.083 1 U 3.06e+06 0 e 0 83 80 0 758 3.775 4.336 1 U 8.42e+06 0 e 0 83 81 0 759 3.782 7.901 1 U 5.22e+06 0 e 0 83 88 0 760 4.431 7.893 1 U 4.65e+06 0 e 0 89 88 0 761 4.427 6.953 1 U 2.19e+07 0 e 0 89 92 0 762 4.430 6.684 1 U 4.65e+06 0 e 0 89 93 0 763 2.961 4.004 1 U 2.6e+06 0 e 0 90 68 0 764 2.954 7.896 1 U 4.37e+06 0 e 0 90 88 0 765 2.961 4.423 1 U 1.77e+06 0 e 0 90 89 0 766 2.954 6.953 1 U 2.76e+07 0 e 0 90 92 0 767 2.901 7.905 1 U 3.84e+06 0 e 0 91 88 0 768 2.894 4.422 1 U 1.53e+06 0 e 0 91 89 0 769 2.895 6.953 1 U 2.85e+07 0 e 0 91 92 0 770 2.900 6.685 1 U 4.62e+06 0 e 0 91 93 0 771 4.152 7.924 1 U 5.76e+06 0 e 0 100 99 0 772 1.619 4.149 1 U 8.75e+06 0 e 0 101 100 0 773 2.053 4.194 1 U 1.19e+07 0 e 0 110 109 0 774 1.973 4.331 1 U 1.47e+06 0 e 0 111 81 0 775 1.970 4.191 1 U 1.04e+07 0 e 0 111 109 0 776 4.124 7.559 1 U 2.8e+06 0 e 0 120 123 0 777 4.123 6.699 1 U 2.89e+06 0 e 0 120 124 0 778 7.554 6.705 1 U 1.37e+08 0 e 0 123 124 0 779 6.699 7.560 1 U 1.32e+08 0 e 0 124 123 0 780 2.333 4.124 1 U 1.06e+07 0 e 0 125 120 0 781 2.317 7.560 1 U 9.88e+06 0 e 0 198 123 0 782 2.313 6.705 1 U 7.94e+06 0 e 0 126 124 0 783 8.213 1.372 1 U 1.69e+07 0 e 0 129 131 0 784 4.127 8.220 1 U 1.61e+07 0 e 0 130 129 0 785 4.129 8.099 1 U 1.1e+07 0 e 0 130 134 0 786 1.366 8.221 1 U 1.9e+07 0 e 0 131 129 0 787 1.366 4.141 1 U 3.32e+07 0 e 0 131 130 0 788 1.363 8.094 1 U 2.31e+07 0 e 0 131 134 0 789 8.100 1.347 1 U 1.98e+07 0 e 0 134 136 0 790 4.022 8.096 1 U 9.85e+06 0 e 0 135 134 0 791 1.345 8.089 1 U 2.19e+07 0 e 0 136 134 0 792 1.343 4.021 1 U 2.23e+07 0 e 0 136 135 0 793 4.143 7.523 1 U 1.31e+07 0 e 0 162 161 0 794 4.142 7.790 1 U 5.93e+06 0 e 0 162 186 0 795 3.893 7.876 1 U 9.3e+06 0 e 0 163 160 0 796 3.892 7.793 1 U 2.01e+06 0 e 0 163 186 0 797 3.147 7.790 1 U 8.25e+06 0 e 0 164 186 0 798 3.029 7.789 1 U 1.22e+07 0 e 0 165 186 0 799 1.447 7.878 1 U 1.62e+07 0 e 0 189 160 0 800 2.117 7.524 1 U 3.48e+07 0 e 0 166 161 0 801 2.117 7.523 1 U 3.48e+07 0 e 0 167 161 0 802 1.445 7.523 1 U 7.39e+06 0 e 0 168 161 0 803 1.446 2.122 1 U 1.88e+07 0 e 0 168 166 0 804 1.137 7.523 1 U 7.54e+06 0 e 0 169 161 0 805 1.139 2.120 1 U 4.62e+07 0 e 0 169 166 0 806 2.183 7.523 1 U 1.02e+07 0 e 0 182 161 0 807 2.185 7.789 1 U 3.13e+07 0 e 0 182 186 0 808 2.181 7.522 1 U 1.01e+07 0 e 0 183 161 0 809 2.184 7.790 1 U 3.13e+07 0 e 0 183 186 0 810 1.857 7.522 1 U 9.94e+06 0 e 0 184 161 0 811 1.851 7.789 1 U 6.52e+06 0 e 0 184 186 0 812 2.072 7.523 1 U 9.8e+06 0 e 0 185 161 0 813 7.783 3.149 1 U 7.26e+06 0 e 0 186 164 0 814 7.784 3.035 1 U 1.21e+07 0 e 0 186 165 0 815 1.840 7.876 1 U 1.33e+07 0 e 0 187 160 0 816 1.839 3.895 1 U 2.04e+07 0 e 0 187 163 0 817 1.442 7.790 1 U 1.75e+07 0 e 0 188 186 0 818 1.438 3.147 1 U 1.68e+07 0 e 0 189 164 0 819 1.439 3.035 1 U 2.37e+07 0 e 0 189 165 0 820 8.122 4.100 1 U 1.65e+07 0 e 0 193 194 0 821 8.125 2.430 1 U 9.42e+06 0 e 0 193 197 0 822 8.124 2.309 1 U 1.09e+07 0 e 0 193 198 0 823 4.100 8.132 1 U 1.4e+07 0 e 0 194 193 0 824 2.151 4.097 1 U 1.58e+07 0 e 0 195 194 0 825 2.092 4.135 1 U 2.72e+07 0 e 0 196 130 0 826 2.092 4.097 1 U 2.33e+07 0 e 0 196 194 0 827 2.429 8.132 1 U 8.46e+06 0 e 0 197 193 0 828 2.430 4.097 1 U 1.18e+07 0 e 0 197 194 0 829 2.297 8.132 1 U 9.2e+06 0 e 0 198 193 0 830 2.296 4.098 1 U 1.85e+07 0 e 0 198 194 0 831 4.308 8.101 1 U 8.33e+06 0 e 0 205 204 0 832 4.308 8.214 1 U 2.6e+06 0 e 0 205 215 0 833 3.152 4.019 1 U 8.46e+06 0 e 0 207 135 0 834 3.151 8.110 1 U 1.31e+07 0 e 0 207 204 0 835 3.148 4.313 1 U 6.19e+06 0 e 0 207 205 0 836 3.150 7.018 1 U 2.89e+07 0 e 0 207 208 0 837 3.151 7.121 1 U 1.63e+07 0 e 0 207 209 0 838 3.149 8.214 1 U 4.79e+06 0 e 0 207 215 0 839 7.014 7.121 1 U 1.72e+08 0 e 0 208 209 0 840 3.507 8.216 1 U 4.77e+06 0 e 0 216 215 0 841 1.969 3.897 1 U 1.01e+07 0 e 0 217 163 0 842 1.969 3.512 1 U 1.13e+07 0 e 0 217 216 0 843 1.970 0.877 1 U 3.71e+07 0 e 0 217 221 0 844 1.258 3.512 1 U 1.2e+07 0 e 0 219 216 0 845 1.254 0.829 1 U 5.18e+07 0 e 0 219 218 0 846 1.788 3.512 1 U 1.13e+07 0 e 0 220 216 0 847 1.788 0.829 1 U 3.53e+07 0 e 0 220 218 0 848 0.873 3.512 1 U 2.73e+07 0 e 0 221 216 0 849 8.044 1.486 1 U 4.01e+07 0 e 0 224 226 0 850 3.967 8.049 1 U 1.18e+07 0 e 0 225 224 0 851 1.480 4.098 1 U 2.75e+07 0 e 0 226 194 0 852 1.482 8.048 1 U 3.09e+07 0 e 0 226 224 0 853 1.482 3.970 1 U 4.95e+07 0 e 0 226 225 0 854 4.131 7.884 1 U 1.74e+07 0 e 0 235 234 0 855 4.123 7.162 1 U 1.94e+07 0 e 0 235 238 0 856 3.499 7.885 1 U 1.27e+07 0 e 0 236 234 0 857 3.499 4.127 1 U 1.13e+07 0 e 0 236 235 0 858 3.500 7.162 1 U 1.05e+07 0 e 0 236 238 0 859 3.503 8.070 1 U 9.7e+06 0 e 0 236 249 0 860 3.234 4.311 1 U 2.77e+06 0 e 0 237 205 0 861 3.242 7.887 1 U 1.04e+07 0 e 0 237 234 0 862 3.243 4.128 1 U 1.31e+07 0 e 0 237 235 0 863 3.241 7.163 1 U 1.26e+07 0 e 0 237 238 0 864 3.241 8.076 1 U 4.71e+06 0 e 0 237 249 0 865 10.085 7.163 1 U 4.67e+07 0 e 0 239 238 0 866 10.084 7.029 1 U 3.23e+06 0 e 0 239 241 0 867 10.085 7.362 1 U 2.03e+07 0 e 0 239 242 0 868 7.203 7.023 1 U 1.25e+07 0 e 0 240 241 0 869 7.205 6.838 1 U 3.06e+07 0 e 0 240 243 0 870 7.017 7.212 1 U 2.15e+07 0 e 0 241 240 0 871 7.024 7.362 1 U 4.07e+07 0 e 0 241 242 0 872 7.023 6.839 1 U 3.38e+07 0 e 0 241 243 0 873 7.358 7.028 1 U 2.95e+07 0 e 0 242 241 0 874 7.355 6.840 1 U 8.27e+06 0 e 0 242 243 0 875 6.834 7.213 1 U 3.74e+07 0 e 0 243 240 0 876 6.834 7.027 1 U 3.16e+07 0 e 0 243 241 0 877 6.834 7.360 1 U 1.06e+07 0 e 0 243 242 0 878 3.419 8.072 1 U 7.36e+06 0 e 0 250 249 0 879 1.641 3.511 1 U 9.61e+06 0 e 0 251 216 0 880 1.643 3.421 1 U 1.39e+07 0 e 0 251 250 0 881 1.643 0.669 1 U 3.26e+07 0 e 0 251 253 0 882 1.357 3.512 1 U 1.07e+07 0 e 0 252 216 0 883 1.355 3.421 1 U 1.73e+07 0 e 0 252 250 0 884 1.357 0.670 1 U 4.78e+07 0 e 0 252 253 0 885 0.666 3.421 1 U 4.69e+07 0 e 0 253 250 0 886 1.434 3.420 1 U 1.31e+07 0 e 0 255 250 0 887 1.438 0.670 1 U 6.4e+07 0 e 0 255 253 0 888 7.845 3.835 1 U 6.58e+06 0 e 0 260 261 0 889 7.845 7.692 1 U 7.97e+06 0 e 0 260 269 0 890 3.834 7.845 1 U 5.96e+06 0 e 0 261 260 0 891 3.833 7.693 1 U 6.91e+06 0 e 0 261 269 0 892 2.155 3.972 1 U 8.39e+06 0 e 0 262 225 0 893 2.154 7.851 1 U 7.15e+06 0 e 0 262 260 0 894 2.153 3.837 1 U 1.72e+07 0 e 0 262 261 0 895 2.154 0.910 1 U 4.21e+07 0 e 0 262 263 0 896 2.153 0.823 1 U 4.43e+07 0 e 0 262 264 0 897 2.155 7.693 1 U 8.23e+06 0 e 0 262 269 0 898 0.898 7.848 1 U 1.12e+07 0 e 0 263 260 0 899 0.902 7.692 1 U 1.01e+07 0 e 0 263 269 0 900 0.823 7.848 1 U 8.74e+06 0 e 0 264 260 0 901 0.820 7.693 1 U 8.28e+06 0 e 0 264 269 0 902 7.690 7.839 1 U 9.51e+06 0 e 0 269 260 0 903 7.689 3.838 1 U 6.36e+06 0 e 0 269 261 0 904 7.689 4.196 1 U 1.46e+07 0 e 0 269 270 0 905 7.689 3.077 1 U 3.87e+06 0 e 0 269 275 0 906 7.690 8.042 1 U 4.26e+06 0 e 0 269 277 0 907 4.190 7.693 1 U 1.75e+07 0 e 0 270 269 0 908 1.855 7.693 1 U 1.29e+07 0 e 0 271 269 0 909 1.856 4.196 1 U 1.83e+07 0 e 0 271 270 0 910 1.856 3.077 1 U 1.2e+07 0 e 0 271 275 0 911 1.850 8.045 1 U 4.03e+06 0 e 0 271 277 0 912 1.784 4.126 1 U 6.47e+06 0 e 0 272 235 0 913 1.788 7.693 1 U 1.17e+07 0 e 0 272 269 0 914 1.787 4.197 1 U 1.77e+07 0 e 0 272 270 0 915 1.785 3.077 1 U 1.26e+07 0 e 0 272 275 0 916 1.787 8.046 1 U 5.55e+06 0 e 0 272 277 0 917 1.591 7.693 1 U 1.05e+07 0 e 0 273 269 0 918 3.070 7.693 1 U 3.84e+06 0 e 0 275 269 0 919 8.043 7.693 1 U 4.75e+06 0 e 0 277 269 0 920 3.769 8.037 1 U 8.77e+06 0 e 0 278 277 0 921 3.767 7.924 1 U 5.31e+06 0 e 0 278 283 0 922 7.927 4.066 1 U 3.78e+06 0 e 0 283 284 0 923 4.069 7.924 1 U 4.84e+06 0 e 0 284 283 0 924 4.067 7.863 1 U 9.87e+06 0 e 0 284 291 0 925 1.756 4.071 1 U 1.27e+07 0 e 0 285 284 0 926 1.755 2.927 1 U 1.25e+07 0 e 0 285 289 0 927 1.624 3.835 1 U 3.57e+06 0 e 0 286 261 0 928 1.626 4.069 1 U 1e+07 0 e 0 286 284 0 929 7.863 3.726 1 U 4.09e+07 0 e 0 291 292 0 930 3.721 7.866 1 U 3.12e+07 0 e 0 292 291 0 931 3.930 8.416 1 U 4.17e+05 0 e 0 25 23 0 932 3.979 8.418 1 U 4.6e+05 0 e 0 24 23 0 933 1.053 8.324 1 U 4.92e+05 0 e 0 32 37 0 934 2.954 8.097 1 U 1.04e+06 0 e 0 0 0 0 935 1.123 8.151 1 U 1.55e+06 0 e 0 50 53 0 936 1.129 4.151 1 U 1.62e+07 0 e 0 0 0 0 937 7.158 10.089 1 U 3.58e+07 0 e 0 238 239 0 938 7.357 10.089 1 U 1.56e+07 0 e 0 242 239 0 939 7.024 10.089 1 U 3.7e+06 0 e 0 0 0 0 940 7.870 10.087 1 U 1.23e+06 0 e 0 0 0 0 941 4.124 10.088 1 U 3.14e+06 0 e 0 0 0 0 942 3.728 10.089 1 U 1.13e+06 0 e 0 0 0 0 943 3.506 10.089 1 U 1.27e+06 0 e 0 0 0 0 944 3.244 10.088 1 U 1.7e+06 0 e 0 0 0 0 945 2.119 10.090 1 U 9.43e+05 0 e 0 0 0 0 946 1.432 10.089 1 U 1.43e+06 0 e 0 0 0 0 947 1.352 10.091 1 U 1.71e+06 0 e 0 0 0 0 948 0.840 10.091 1 U 1.41e+06 0 e 0 0 0 0 949 0.664 10.087 1 U 1.5e+06 0 e 0 0 0 0 950 6.675 8.086 1 U 1.19e+06 0 e 0 0 0 0 951 6.833 7.881 1 U 1.42e+06 0 e 0 0 0 0 952 6.946 8.087 1 U 1.7e+06 0 e 0 0 0 0 953 7.517 7.792 1 U 2.07e+06 0 e 0 0 0 0 954 7.876 7.362 1 U 1.53e+06 0 e 0 0 0 0 955 8.073 7.360 1 U 1.25e+06 0 e 0 0 0 0 956 8.201 7.212 1 U 1.39e+06 0 e 0 0 0 0 957 8.066 7.211 1 U 1.02e+07 0 e 0 0 0 0 958 7.879 7.157 1 U 7.47e+06 0 e 0 0 0 0 959 7.881 7.212 1 U 8.63e+06 0 e 0 0 0 0 960 8.061 7.162 1 U 5.42e+06 0 e 0 0 0 0 961 7.876 7.122 1 U 4.35e+06 0 e 0 0 0 0 962 8.092 7.120 1 U 7.33e+06 0 e 0 0 0 0 963 8.206 7.122 1 U 4.32e+06 0 e 0 0 0 0 964 7.880 6.952 1 U 6.4e+06 0 e 0 0 0 0 965 7.869 7.020 1 U 5.43e+06 0 e 0 0 0 0 966 8.099 7.017 1 U 9.85e+06 0 e 0 0 0 0 967 8.212 6.951 1 U 1.96e+06 0 e 0 0 0 0 968 8.207 7.023 1 U 5.24e+06 0 e 0 0 0 0 969 8.075 6.955 1 U 2.57e+06 0 e 0 0 0 0 970 8.063 6.839 1 U 2.66e+06 0 e 0 0 0 0 971 7.878 6.839 1 U 1.84e+06 0 e 0 0 0 0 972 7.879 6.679 1 U 2.85e+06 0 e 0 0 0 0 973 8.070 6.682 1 U 2.19e+06 0 e 0 0 0 0 974 7.114 7.020 1 U 1.55e+08 0 e 0 0 0 0 975 7.201 7.158 1 U 3.14e+08 0 e 0 0 0 0 976 6.674 7.122 1 U 3.84e+06 0 e 0 0 0 0 977 6.678 7.360 1 U 1.08e+06 0 e 0 0 0 0 978 4.653 6.682 1 U 1.68e+06 0 e 0 0 0 0 979 4.647 7.209 1 U 2.07e+06 0 e 0 0 0 0 980 4.258 7.156 1 U 3.89e+06 0 e 0 0 0 0 981 4.137 7.362 1 U 2.99e+06 0 e 0 0 0 0 982 4.078 7.363 1 U 1.84e+06 0 e 0 0 0 0 983 4.020 7.365 1 U 1.28e+06 0 e 0 0 0 0 984 3.805 6.953 1 U 3.32e+06 0 e 0 0 0 0 985 3.864 6.954 1 U 2.03e+06 0 e 0 0 0 0 986 3.809 6.681 1 U 2.98e+06 0 e 0 0 0 0 987 3.869 6.682 1 U 2.33e+06 0 e 0 0 0 0 988 2.948 7.020 1 U 3.86e+06 0 e 0 0 0 0 989 2.901 7.022 1 U 2.98e+06 0 e 0 0 0 0 990 3.015 7.156 1 U 4.32e+06 0 e 0 0 0 0 991 3.153 6.683 1 U 2.2e+06 0 e 0 0 0 0 992 2.939 7.121 1 U 3.94e+06 0 e 0 0 0 0 993 3.501 6.962 1 U 1.35e+06 0 e 0 0 0 0 994 3.152 6.957 1 U 2.92e+06 0 e 0 0 0 0 995 2.302 6.681 1 U 3.8e+06 0 e 0 0 0 0 996 2.426 6.703 1 U 1.2e+06 0 e 0 0 0 0 997 2.119 6.680 1 U 2.94e+06 0 e 0 0 0 0 998 2.293 7.207 1 U 1.39e+06 0 e 0 0 0 0 999 2.288 7.364 1 U 1.19e+06 0 e 0 0 0 0 1000 2.429 7.158 1 U 1.61e+06 0 e 0 0 0 0 1001 2.422 7.123 1 U 1.38e+06 0 e 0 0 0 0 1002 2.422 7.017 1 U 1.14e+06 0 e 0 0 0 0 1003 2.071 7.362 1 U 2.16e+06 0 e 0 0 0 0 1004 1.138 7.124 1 U 3.69e+07 0 e 0 0 0 0 1005 1.760 7.365 1 U 1.8e+06 0 e 0 0 0 0 1006 1.628 7.362 1 U 2.14e+06 0 e 0 0 0 0 1007 1.579 7.361 1 U 1.18e+06 0 e 0 0 0 0 1008 1.437 7.362 1 U 3.77e+06 0 e 0 0 0 0 1009 1.353 7.362 1 U 4.22e+06 0 e 0 0 0 0 1010 1.189 7.364 1 U 2.33e+06 0 e 0 0 0 0 1011 1.139 7.363 1 U 4.13e+06 0 e 0 0 0 0 1012 2.068 7.212 1 U 2.42e+06 0 e 0 0 0 0 1013 1.967 7.213 1 U 1.44e+06 0 e 0 0 0 0 1014 1.843 7.211 1 U 1.59e+06 0 e 0 0 0 0 1015 1.779 7.212 1 U 2.1e+06 0 e 0 0 0 0 1016 1.180 6.836 1 U 4.84e+06 0 e 0 0 0 0 1017 1.642 7.211 1 U 6.89e+06 0 e 0 0 0 0 1018 1.578 7.210 1 U 2.09e+06 0 e 0 0 0 0 1019 1.439 7.211 1 U 1.47e+07 0 e 0 0 0 0 1020 1.356 7.211 1 U 1.02e+07 0 e 0 0 0 0 1021 1.256 7.211 1 U 2.32e+06 0 e 0 0 0 0 1022 1.179 7.211 1 U 8.25e+06 0 e 0 0 0 0 1023 1.140 7.211 1 U 1.04e+07 0 e 0 0 0 0 1024 1.055 7.211 1 U 2.16e+06 0 e 0 0 0 0 1025 2.061 7.159 1 U 4.23e+06 0 e 0 0 0 0 1026 2.071 7.123 1 U 3.91e+06 0 e 0 0 0 0 1027 2.060 6.953 1 U 5.79e+06 0 e 0 0 0 0 1028 2.063 6.683 1 U 4.77e+06 0 e 0 0 0 0 1029 2.062 7.023 1 U 3.55e+06 0 e 0 0 0 0 1030 1.185 7.156 1 U 9.94e+06 0 e 0 0 0 0 1031 1.973 7.157 1 U 1.7e+06 0 e 0 0 0 0 1032 1.970 7.122 1 U 5.12e+06 0 e 0 0 0 0 1033 1.968 7.020 1 U 5.18e+06 0 e 0 0 0 0 1034 1.972 6.955 1 U 1.74e+06 0 e 0 0 0 0 1035 1.969 6.683 1 U 1.86e+06 0 e 0 0 0 0 1036 1.853 7.162 1 U 2.63e+06 0 e 0 0 0 0 1037 1.845 7.122 1 U 3.85e+06 0 e 0 0 0 0 1038 1.848 6.954 1 U 1.6e+06 0 e 0 0 0 0 1039 1.846 6.683 1 U 1.83e+06 0 e 0 0 0 0 1040 1.788 7.121 1 U 6.61e+06 0 e 0 0 0 0 1041 1.847 7.025 1 U 2.69e+06 0 e 0 0 0 0 1042 1.780 7.161 1 U 3.31e+06 0 e 0 0 0 0 1043 1.784 7.020 1 U 6.87e+06 0 e 0 0 0 0 1044 1.639 7.122 1 U 5.43e+06 0 e 0 0 0 0 1045 1.641 7.023 1 U 4.02e+06 0 e 0 0 0 0 1046 1.636 6.839 1 U 2.3e+06 0 e 0 0 0 0 1047 1.613 7.160 1 U 2.83e+06 0 e 0 0 0 0 1048 1.586 7.022 1 U 2.56e+06 0 e 0 0 0 0 1049 1.570 7.122 1 U 2.96e+06 0 e 0 0 0 0 1050 1.571 6.953 1 U 5.19e+06 0 e 0 0 0 0 1051 1.575 6.683 1 U 2.51e+06 0 e 0 0 0 0 1052 1.449 7.159 1 U 7.92e+06 0 e 0 0 0 0 1053 1.456 6.954 1 U 4.81e+06 0 e 0 0 0 0 1054 1.440 7.121 1 U 1.48e+07 0 e 0 0 0 0 1055 1.440 7.020 1 U 1.01e+07 0 e 0 0 0 0 1056 1.438 6.838 1 U 5.2e+06 0 e 0 0 0 0 1057 1.442 6.682 1 U 4.56e+06 0 e 0 0 0 0 1058 1.352 7.159 1 U 6.84e+06 0 e 0 0 0 0 1059 1.352 7.121 1 U 1.74e+07 0 e 0 0 0 0 1060 1.351 7.019 1 U 1.22e+07 0 e 0 0 0 0 1061 1.359 6.954 1 U 6.66e+06 0 e 0 0 0 0 1062 1.355 6.838 1 U 4.44e+06 0 e 0 0 0 0 1063 1.359 6.681 1 U 7.12e+06 0 e 0 0 0 0 1064 1.246 7.121 1 U 1.16e+07 0 e 0 0 0 0 1065 1.252 7.019 1 U 8.69e+06 0 e 0 0 0 0 1066 1.250 6.955 1 U 1.95e+06 0 e 0 0 0 0 1067 1.253 6.839 1 U 1.51e+06 0 e 0 0 0 0 1068 1.245 6.682 1 U 1.83e+06 0 e 0 0 0 0 1069 1.184 7.121 1 U 5.03e+07 0 e 0 0 0 0 1070 1.183 7.020 1 U 2.38e+07 0 e 0 0 0 0 1071 1.178 6.953 1 U 7.92e+06 0 e 0 0 0 0 1072 1.178 6.682 1 U 7.26e+06 0 e 0 0 0 0 1073 1.145 7.018 1 U 2.09e+07 0 e 0 0 0 0 1074 1.142 6.953 1 U 9.39e+06 0 e 0 0 0 0 1075 1.145 6.838 1 U 5.65e+06 0 e 0 0 0 0 1076 1.138 6.681 1 U 8.84e+06 0 e 0 0 0 0 1077 1.131 7.156 1 U 1.38e+07 0 e 0 0 0 0 1078 1.056 7.158 1 U 4.41e+06 0 e 0 0 0 0 1079 1.056 7.125 1 U 2.21e+06 0 e 0 0 0 0 1080 1.049 7.021 1 U 1.82e+06 0 e 0 0 0 0 1081 0.906 6.950 1 U 2.26e+06 0 e 0 0 0 0 1082 0.901 6.683 1 U 2.32e+06 0 e 0 0 0 0 1083 0.888 7.522 1 U 1.4e+06 0 e 0 0 0 0 1084 0.875 7.020 1 U 1.14e+07 0 e 0 0 0 0 1085 0.849 7.157 1 U 1.69e+07 0 e 0 0 0 0 1086 0.847 6.952 1 U 1.25e+07 0 e 0 0 0 0 1087 0.848 6.681 1 U 9.38e+06 0 e 0 0 0 0 1088 0.839 7.362 1 U 4.06e+06 0 e 0 0 0 0 1089 0.844 7.211 1 U 1.12e+07 0 e 0 0 0 0 1090 0.823 7.522 1 U 1.79e+06 0 e 0 0 0 0 1091 0.825 7.121 1 U 3.53e+07 0 e 0 0 0 0 1092 0.828 7.020 1 U 2.36e+07 0 e 0 0 0 0 1093 0.828 6.838 1 U 5.55e+06 0 e 0 0 0 0 1094 1.356 7.525 1 U 1.35e+06 0 e 0 0 0 0 1095 0.802 7.157 1 U 7.23e+06 0 e 0 0 0 0 1096 0.791 6.953 1 U 7.43e+06 0 e 0 0 0 0 1097 0.800 6.682 1 U 5.92e+06 0 e 0 0 0 0 1098 0.873 8.053 1 U 1.11e+07 0 e 0 0 0 0 1099 0.731 7.363 1 U 1.75e+06 0 e 0 0 0 0 1100 0.727 7.211 1 U 3.95e+06 0 e 0 0 0 0 1101 0.736 7.156 1 U 3.64e+06 0 e 0 0 0 0 1102 0.731 7.021 1 U 9.18e+06 0 e 0 0 0 0 1103 0.733 6.953 1 U 1.18e+07 0 e 0 0 0 0 1104 0.733 6.681 1 U 8.01e+06 0 e 0 0 0 0 1105 0.719 7.121 1 U 1.67e+07 0 e 0 0 0 0 1106 0.718 6.836 1 U 2.44e+06 0 e 0 0 0 0 1107 0.666 7.361 1 U 4.55e+06 0 e 0 0 0 0 1108 0.667 7.212 1 U 2.67e+07 0 e 0 0 0 0 1109 0.667 7.121 1 U 6.62e+07 0 e 0 0 0 0 1110 0.665 7.020 1 U 2.74e+07 0 e 0 0 0 0 1111 0.667 6.953 1 U 4.74e+06 0 e 0 0 0 0 1112 0.667 6.838 1 U 2.08e+07 0 e 0 0 0 0 1113 0.665 6.681 1 U 4.39e+06 0 e 0 0 0 0 1114 0.667 7.155 1 U 1.12e+07 0 e 0 0 0 0 1115 10.085 4.130 1 U 1.98e+06 0 e 0 0 0 0 1116 10.081 4.074 1 U 1.12e+06 0 e 0 0 0 0 1117 10.077 3.726 1 U 1.45e+06 0 e 0 0 0 0 1118 8.206 4.309 1 U 1.58e+06 0 e 0 0 0 0 1119 8.111 4.311 1 U 4.03e+06 0 e 0 0 0 0 1120 7.883 4.315 1 U 2.77e+06 0 e 0 0 0 0 1121 8.062 4.313 1 U 2.66e+06 0 e 0 0 0 0 1122 7.870 4.194 1 U 4.32e+06 0 e 0 0 0 0 1123 8.031 4.195 1 U 7.43e+06 0 e 0 0 0 0 1124 8.219 4.016 1 U 4.01e+06 0 e 0 0 0 0 1125 8.219 3.879 1 U 7.64e+06 0 e 0 0 0 0 1126 8.214 4.129 1 U 1.38e+07 0 e 0 0 0 0 1127 8.208 3.943 1 U 6.18e+06 0 e 0 0 0 0 1128 8.210 3.887 1 U 7.6e+06 0 e 0 0 0 0 1129 7.786 4.146 1 U 7.16e+06 0 e 0 0 0 0 1130 7.879 3.973 1 U 8.33e+06 0 e 0 0 0 0 1131 7.870 3.897 1 U 1.06e+07 0 e 0 0 0 0 1132 7.787 3.896 1 U 2.4e+06 0 e 0 0 0 0 1133 7.820 3.970 1 U 3.92e+06 0 e 0 0 0 0 1134 7.878 4.129 1 U 1.84e+07 0 e 0 0 0 0 1135 7.947 4.143 1 U 4.86e+06 0 e 0 0 0 0 1136 8.093 4.134 1 U 1.25e+07 0 e 0 0 0 0 1137 8.124 3.896 1 U 7.94e+06 0 e 0 0 0 0 1138 8.093 4.016 1 U 1.21e+07 0 e 0 0 0 0 1139 8.073 3.827 1 U 4.42e+06 0 e 0 0 0 0 1140 8.045 3.971 1 U 1.47e+07 0 e 0 0 0 0 1141 8.050 3.894 1 U 4.61e+06 0 e 0 0 0 0 1142 7.923 3.773 1 U 5.01e+06 0 e 0 0 0 0 1143 8.032 3.773 1 U 8.39e+06 0 e 0 0 0 0 1144 7.876 3.777 1 U 4.82e+06 0 e 0 0 0 0 1145 8.207 3.512 1 U 6.87e+06 0 e 0 0 0 0 1146 8.068 3.421 1 U 1.06e+07 0 e 0 0 0 0 1147 8.058 3.511 1 U 1.19e+07 0 e 0 0 0 0 1148 7.880 3.508 1 U 9.77e+06 0 e 0 0 0 0 1149 7.871 3.421 1 U 4.75e+06 0 e 0 0 0 0 1150 7.691 3.421 1 U 1.85e+06 0 e 0 0 0 0 1151 7.779 3.838 1 U 2.39e+06 0 e 0 0 0 0 1152 7.517 4.147 1 U 1.38e+07 0 e 0 0 0 0 1153 7.350 3.826 1 U 1.43e+06 0 e 0 0 0 0 1154 7.351 4.021 1 U 1.21e+06 0 e 0 0 0 0 1155 7.374 4.138 1 U 1.47e+06 0 e 0 0 0 0 1156 7.338 4.136 1 U 1.5e+06 0 e 0 0 0 0 1157 6.950 3.871 1 U 1.69e+06 0 e 0 0 0 0 1158 6.951 3.819 1 U 2.27e+06 0 e 0 0 0 0 1159 6.948 3.778 1 U 2.24e+06 0 e 0 0 0 0 1160 7.017 3.827 1 U 2.24e+06 0 e 0 0 0 0 1161 7.023 3.781 1 U 1.3e+06 0 e 0 0 0 0 1162 7.014 3.894 1 U 2.45e+06 0 e 0 0 0 0 1163 7.155 4.128 1 U 1.02e+07 0 e 0 0 0 0 1164 7.130 3.940 1 U 1.77e+06 0 e 0 0 0 0 1165 7.128 3.883 1 U 2.9e+06 0 e 0 0 0 0 1166 7.133 3.829 1 U 2.85e+06 0 e 0 0 0 0 1167 7.117 4.018 1 U 4.56e+06 0 e 0 0 0 0 1168 7.119 3.976 1 U 2.58e+06 0 e 0 0 0 0 1169 7.211 4.127 1 U 6.35e+06 0 e 0 0 0 0 1170 7.207 4.316 1 U 2.03e+06 0 e 0 0 0 0 1171 7.120 4.314 1 U 2.97e+06 0 e 0 0 0 0 1172 7.011 4.313 1 U 7.46e+06 0 e 0 0 0 0 1173 6.946 4.427 1 U 2.06e+06 0 e 0 0 0 0 1174 6.950 4.005 1 U 7.04e+06 0 e 0 0 0 0 1175 6.946 4.145 1 U 3.62e+06 0 e 0 0 0 0 1176 7.019 4.134 1 U 3.83e+06 0 e 0 0 0 0 1177 7.017 4.100 1 U 2.56e+06 0 e 0 0 0 0 1178 7.011 4.018 1 U 7.3e+06 0 e 0 0 0 0 1179 7.117 4.140 1 U 3.26e+06 0 e 0 0 0 0 1180 7.151 3.772 1 U 1.83e+06 0 e 0 0 0 0 1181 7.208 3.824 1 U 1.66e+06 0 e 0 0 0 0 1182 7.196 4.018 1 U 1.29e+06 0 e 0 0 0 0 1183 6.678 4.145 1 U 2.66e+06 0 e 0 0 0 0 1184 6.677 4.016 1 U 2.26e+06 0 e 0 0 0 0 1185 6.678 3.994 1 U 2.37e+06 0 e 0 0 0 0 1186 6.679 3.880 1 U 1.79e+06 0 e 0 0 0 0 1187 6.678 3.822 1 U 2.13e+06 0 e 0 0 0 0 1188 6.679 3.775 1 U 1.62e+06 0 e 0 0 0 0 1189 6.832 4.131 1 U 1.69e+06 0 e 0 0 0 0 1190 6.835 3.996 1 U 1.08e+06 0 e 0 0 0 0 1191 6.832 3.830 1 U 1.11e+06 0 e 0 0 0 0 1192 6.678 2.958 1 U 3.11e+06 0 e 0 0 0 0 1193 6.677 2.902 1 U 2.95e+06 0 e 0 0 0 0 1194 6.834 3.508 1 U 1.98e+06 0 e 0 0 0 0 1195 6.834 3.420 1 U 3.4e+06 0 e 0 0 0 0 1196 7.013 3.512 1 U 6.64e+06 0 e 0 0 0 0 1197 7.014 3.422 1 U 2.97e+06 0 e 0 0 0 0 1198 7.207 3.507 1 U 7.1e+06 0 e 0 0 0 0 1199 7.205 3.421 1 U 8.66e+06 0 e 0 0 0 0 1200 7.141 3.417 1 U 2.77e+06 0 e 0 0 0 0 1201 7.120 3.511 1 U 5.65e+06 0 e 0 0 0 0 1202 7.114 3.421 1 U 3.53e+06 0 e 0 0 0 0 1203 7.206 3.250 1 U 5.74e+06 0 e 0 0 0 0 1204 7.155 3.250 1 U 5.25e+06 0 e 0 0 0 0 1205 7.017 3.075 1 U 3.69e+06 0 e 0 0 0 0 1206 7.013 3.241 1 U 2.61e+06 0 e 0 0 0 0 1207 7.013 3.154 1 U 1.4e+07 0 e 0 0 0 0 1208 7.014 3.035 1 U 2.68e+06 0 e 0 0 0 0 1209 6.950 2.960 1 U 1.46e+07 0 e 0 0 0 0 1210 6.947 2.901 1 U 1.7e+07 0 e 0 0 0 0 1211 7.013 2.955 1 U 3.78e+06 0 e 0 0 0 0 1212 7.015 2.925 1 U 2.86e+06 0 e 0 0 0 0 1213 7.214 2.955 1 U 2.77e+06 0 e 0 0 0 0 1214 7.148 2.958 1 U 1.65e+07 0 e 0 0 0 0 1215 7.209 3.077 1 U 2.97e+06 0 e 0 0 0 0 1216 7.149 3.082 1 U 1.89e+07 0 e 0 0 0 0 1217 7.116 3.155 1 U 5.68e+06 0 e 0 0 0 0 1218 7.202 3.158 1 U 1.5e+06 0 e 0 0 0 0 1219 7.151 3.502 1 U 3.39e+06 0 e 0 0 0 0 1220 7.113 3.250 1 U 1.62e+06 0 e 0 0 0 0 1221 4.194 3.823 1 U 9e+06 0 e 0 0 0 0 1222 4.194 3.872 1 U 8.33e+06 0 e 0 0 0 0 1223 4.634 3.809 1 U 2.7e+06 0 e 0 81 82 0 1224 4.632 3.778 1 U 2.2e+06 0 e 0 60 83 0 1225 4.683 3.819 1 U 2.41e+06 0 e 0 0 0 0 1226 4.682 3.778 1 U 1.87e+06 0 e 0 0 0 0 1227 4.683 3.875 1 U 2.15e+06 0 e 0 0 0 0 1228 4.636 3.877 1 U 1.9e+06 0 e 0 0 0 0 1229 3.956 3.419 1 U 1.48e+06 0 e 0 0 0 0 1230 3.832 3.422 1 U 2.51e+06 0 e 0 0 0 0 1231 3.984 4.267 1 U 2.31e+06 0 e 0 0 0 0 1232 3.969 4.196 1 U 3.32e+06 0 e 0 0 0 0 1233 3.974 4.098 1 U 9.99e+06 0 e 0 0 0 0 1234 3.881 4.126 1 U 5.62e+06 0 e 0 0 0 0 1235 4.132 3.777 1 U 4.87e+06 0 e 0 0 0 0 1236 4.194 3.775 1 U 5.38e+06 0 e 0 0 0 0 1237 3.029 3.897 1 U 2.97e+06 0 e 0 0 0 0 1238 2.934 3.827 1 U 2.3e+06 0 e 0 0 0 0 1239 2.913 3.777 1 U 1.63e+06 0 e 0 0 0 0 1240 3.070 3.772 1 U 1.59e+06 0 e 0 0 0 0 1241 3.072 3.823 1 U 1.72e+06 0 e 0 0 0 0 1242 3.071 3.509 1 U 1.82e+06 0 e 0 0 0 0 1243 2.701 3.805 1 U 1.27e+06 0 e 0 0 0 0 1244 3.070 3.422 1 U 1.85e+06 0 e 0 0 0 0 1245 3.147 3.424 1 U 1.32e+06 0 e 0 0 0 0 1246 2.294 3.889 1 U 2.45e+06 0 e 0 0 0 0 1247 1.776 3.422 1 U 1.87e+06 0 e 0 0 0 0 1248 1.975 4.110 1 U 4.61e+06 0 e 0 0 0 0 1249 2.279 3.975 1 U 1.72e+06 0 e 0 0 0 0 1250 1.969 3.781 1 U 1.69e+06 0 e 0 0 0 0 1251 1.639 3.974 1 U 2.56e+06 0 e 0 0 0 0 1252 1.589 3.974 1 U 3.86e+06 0 e 0 0 0 0 1253 0.664 4.322 1 U 1.53e+06 0 e 0 0 0 0 1254 0.665 4.189 1 U 1.8e+06 0 e 0 0 0 0 1255 0.665 4.137 1 U 5.53e+06 0 e 0 0 0 0 1256 0.666 4.014 1 U 3.48e+06 0 e 0 0 0 0 1257 0.666 3.974 1 U 4.35e+06 0 e 0 0 0 0 1258 0.666 3.894 1 U 2.81e+06 0 e 0 0 0 0 1259 0.666 3.835 1 U 5.11e+06 0 e 0 0 0 0 1260 0.666 3.776 1 U 1.66e+06 0 e 0 0 0 0 1261 0.739 3.973 1 U 2.27e+06 0 e 0 0 0 0 1262 0.742 3.887 1 U 2.27e+06 0 e 0 0 0 0 1263 0.743 3.832 1 U 3.1e+06 0 e 0 0 0 0 1264 0.734 4.148 1 U 2.96e+07 0 e 0 0 0 0 1265 0.734 4.013 1 U 3.28e+06 0 e 0 0 0 0 1266 0.732 3.946 1 U 1.41e+06 0 e 0 0 0 0 1267 0.903 3.837 1 U 2.3e+07 0 e 0 0 0 0 1268 0.878 3.895 1 U 9.12e+06 0 e 0 0 0 0 1269 0.828 3.895 1 U 1.5e+07 0 e 0 0 0 0 1270 0.819 3.837 1 U 2.77e+07 0 e 0 0 0 0 1271 0.906 4.023 1 U 4.66e+06 0 e 0 0 0 0 1272 0.903 3.971 1 U 2.29e+07 0 e 0 0 0 0 1273 0.852 4.004 1 U 3.51e+07 0 e 0 0 0 0 1274 0.799 4.007 1 U 5.75e+06 0 e 0 0 0 0 1275 0.903 4.194 1 U 5.3e+06 0 e 0 0 0 0 1276 0.905 4.166 1 U 3.5e+06 0 e 0 0 0 0 1277 0.894 4.142 1 U 5.11e+06 0 e 0 0 0 0 1278 0.848 4.162 1 U 7.66e+06 0 e 0 0 0 0 1279 0.841 4.148 1 U 9.38e+06 0 e 0 0 0 0 1280 0.815 4.195 1 U 6.22e+06 0 e 0 0 0 0 1281 0.789 4.149 1 U 1.52e+07 0 e 0 0 0 0 1282 0.851 4.268 1 U 5.22e+06 0 e 0 0 0 0 1283 0.782 4.268 1 U 2.58e+06 0 e 0 0 0 0 1284 0.803 3.973 1 U 7.43e+06 0 e 0 0 0 0 1285 0.849 3.974 1 U 2.19e+07 0 e 0 0 0 0 1286 0.844 4.099 1 U 4.29e+06 0 e 0 0 0 0 1287 0.666 3.251 1 U 2.16e+06 0 e 0 0 0 0 1288 0.664 3.154 1 U 2.88e+06 0 e 0 0 0 0 1289 0.666 3.081 1 U 2.17e+06 0 e 0 0 0 0 1290 0.667 2.928 1 U 5.38e+06 0 e 0 0 0 0 1291 0.733 2.960 1 U 2.32e+06 0 e 0 0 0 0 1292 0.732 2.924 1 U 2.22e+06 0 e 0 0 0 0 1293 0.833 3.250 1 U 1.78e+06 0 e 0 0 0 0 1294 0.842 3.079 1 U 4.57e+06 0 e 0 0 0 0 1295 0.829 3.153 1 U 4.6e+06 0 e 0 0 0 0 1296 0.901 3.081 1 U 2.02e+06 0 e 0 0 0 0 1297 0.883 3.152 1 U 2.24e+06 0 e 0 0 0 0 1298 0.850 2.959 1 U 5.4e+06 0 e 0 0 0 0 1299 0.835 2.932 1 U 4.4e+06 0 e 0 0 0 0 1300 0.798 2.956 1 U 2.97e+06 0 e 0 0 0 0 1301 0.804 2.924 1 U 3.19e+06 0 e 0 0 0 0 1302 0.828 3.039 1 U 2.59e+06 0 e 0 0 0 0 1303 1.150 3.154 1 U 5.37e+06 0 e 0 0 0 0 1304 1.143 3.248 1 U 1.45e+06 0 e 0 0 0 0 1305 1.354 3.249 1 U 2.09e+06 0 e 0 0 0 0 1306 1.270 3.158 1 U 2.7e+06 0 e 0 0 0 0 1307 1.183 3.157 1 U 4.04e+06 0 e 0 0 0 0 1308 1.324 3.149 1 U 5.78e+06 0 e 0 0 0 0 1309 1.364 3.154 1 U 4.83e+06 0 e 0 0 0 0 1310 1.317 3.036 1 U 5.83e+06 0 e 0 0 0 0 1311 1.137 3.037 1 U 3.84e+06 0 e 0 0 0 0 1312 1.128 3.079 1 U 3.96e+06 0 e 0 0 0 0 1313 1.188 3.038 1 U 1.71e+06 0 e 0 0 0 0 1314 1.138 2.930 1 U 3.83e+06 0 e 0 0 0 0 1315 1.185 2.930 1 U 2.28e+06 0 e 0 0 0 0 1316 1.129 2.957 1 U 4.2e+06 0 e 0 0 0 0 1317 1.179 2.958 1 U 2.88e+06 0 e 0 0 0 0 1318 1.339 2.927 1 U 1.73e+07 0 e 0 0 0 0 1319 2.150 2.304 1 U 1.62e+07 0 e 0 0 0 0 1320 1.475 3.253 1 U 3.07e+06 0 e 0 0 0 0 1321 0.851 2.698 1 U 4.44e+06 0 e 0 0 0 0 1322 0.850 2.655 1 U 3.69e+06 0 e 0 0 0 0 1323 1.359 2.429 1 U 3.08e+06 0 e 0 0 0 0 1324 1.831 2.310 1 U 4.33e+06 0 e 0 0 0 0 1325 1.973 3.090 1 U 1.5e+06 0 e 0 0 0 0 1326 2.117 2.956 1 U 1.28e+06 0 e 0 0 0 0 1327 1.837 2.429 1 U 2.3e+06 0 e 0 0 0 0 1328 2.955 2.904 1 U 4.84e+07 0 e 0 0 0 0 1329 2.897 2.960 1 U 3.7e+07 0 e 0 0 0 0 1330 4.308 3.155 1 U 9.23e+06 0 e 0 0 0 0 1331 4.092 3.154 1 U 2.34e+06 0 e 0 0 0 0 1332 4.129 3.036 1 U 3.58e+06 0 e 0 0 0 0 1333 4.141 2.961 1 U 2.26e+06 0 e 0 0 0 0 1334 4.133 2.904 1 U 1.88e+06 0 e 0 0 0 0 1335 4.003 2.904 1 U 1.83e+06 0 e 0 68 91 0 1336 3.997 2.956 1 U 2.3e+06 0 e 0 68 90 0 1337 3.827 2.928 1 U 2.56e+06 0 e 0 0 0 0 1338 3.773 2.930 1 U 1.68e+06 0 e 0 0 0 0 1339 3.729 2.927 1 U 1.5e+06 0 e 0 0 0 0 1340 3.723 3.078 1 U 2.01e+06 0 e 0 0 0 0 1341 3.804 2.658 1 U 1.26e+06 0 e 0 0 0 0 1342 3.799 2.698 1 U 1.45e+06 0 e 0 0 0 0 1343 3.962 3.235 1 U 1.21e+06 0 e 0 0 0 0 1344 4.124 2.324 1 U 1.72e+07 0 e 0 0 0 0 1345 4.310 2.962 1 U 1.65e+06 0 e 0 0 0 0 1346 7.131 2.927 1 U 4.25e+06 0 e 0 0 0 0 1347 7.873 2.924 1 U 3.53e+06 0 e 0 0 0 0 1348 8.037 2.957 1 U 1.22e+06 0 e 0 0 0 0 1349 8.088 2.930 1 U 1.08e+06 0 e 0 0 0 0 1350 8.108 3.155 1 U 9.41e+06 0 e 0 0 0 0 1351 8.048 3.078 1 U 1.77e+06 0 e 0 0 0 0 1352 8.109 3.087 1 U 2.02e+06 0 e 0 0 0 0 1353 8.108 3.042 1 U 1.5e+06 0 e 0 0 0 0 1354 7.818 3.418 1 U 3.2e+06 0 e 0 0 0 0 1355 10.084 1.334 1 U 1.98e+06 0 e 0 0 0 0 1356 8.206 1.793 1 U 4.61e+06 0 e 0 0 0 0 1357 8.123 1.842 1 U 6.61e+06 0 e 0 0 0 0 1358 8.211 1.845 1 U 2.25e+06 0 e 0 0 0 0 1359 8.047 1.854 1 U 3.47e+06 0 e 0 0 0 0 1360 8.043 1.792 1 U 4.22e+06 0 e 0 0 0 0 1361 8.207 1.974 1 U 8.56e+06 0 e 0 0 0 0 1362 8.097 1.976 1 U 4.91e+06 0 e 0 0 0 0 1363 8.043 1.975 1 U 8.84e+06 0 e 0 0 0 0 1364 7.968 1.980 1 U 2.55e+06 0 e 0 0 0 0 1365 7.876 1.974 1 U 3.8e+06 0 e 0 0 0 0 1366 7.689 1.859 1 U 9.18e+06 0 e 0 0 0 0 1367 7.689 1.793 1 U 9.48e+06 0 e 0 0 0 0 1368 7.689 1.597 1 U 8.42e+06 0 e 0 0 0 0 1369 7.516 1.863 1 U 9.13e+06 0 e 0 0 0 0 1370 7.516 2.188 1 U 1.2e+07 0 e 0 0 0 0 1371 7.515 2.123 1 U 3.72e+07 0 e 0 0 0 0 1372 7.553 2.320 1 U 7.44e+06 0 e 0 0 0 0 1373 7.688 2.162 1 U 5.75e+06 0 e 0 0 0 0 1374 7.875 2.299 1 U 3.09e+06 0 e 0 0 0 0 1375 7.783 2.295 1 U 1.8e+06 0 e 0 0 0 0 1376 7.784 2.190 1 U 3.14e+07 0 e 0 0 0 0 1377 7.784 2.080 1 U 6.96e+06 0 e 0 0 0 0 1378 7.850 2.162 1 U 7.06e+06 0 e 0 0 0 0 1379 7.868 2.089 1 U 4.32e+06 0 e 0 0 0 0 1380 7.871 2.072 1 U 4.22e+06 0 e 0 0 0 0 1381 7.961 2.055 1 U 2.74e+06 0 e 0 0 0 0 1382 8.124 2.147 1 U 1.03e+07 0 e 0 0 0 0 1383 8.122 2.096 1 U 1.18e+07 0 e 0 0 0 0 1384 8.086 2.064 1 U 1.14e+07 0 e 0 0 0 0 1385 8.073 2.149 1 U 5.01e+06 0 e 0 0 0 0 1386 8.033 2.148 1 U 2.92e+06 0 e 0 0 0 0 1387 8.066 2.299 1 U 3.88e+06 0 e 0 0 0 0 1388 8.216 2.066 1 U 9.42e+06 0 e 0 0 0 0 1389 8.209 2.310 1 U 5.84e+06 0 e 0 0 0 0 1390 8.011 2.292 1 U 1.97e+06 0 e 0 0 0 0 1391 7.820 1.592 1 U 3.19e+06 0 e 0 0 0 0 1392 7.869 1.633 1 U 7.07e+06 0 e 0 0 0 0 1393 7.873 1.594 1 U 6.13e+06 0 e 0 0 0 0 1394 7.798 1.345 1 U 5.51e+06 0 e 0 0 0 0 1395 7.785 1.445 1 U 1.54e+07 0 e 0 0 0 0 1396 7.881 1.486 1 U 2.31e+07 0 e 0 0 0 0 1397 7.870 1.445 1 U 1.6e+07 0 e 0 0 0 0 1398 7.870 1.348 1 U 1.44e+07 0 e 0 0 0 0 1399 8.068 1.647 1 U 6.99e+06 0 e 0 0 0 0 1400 8.030 1.588 1 U 3.27e+06 0 e 0 0 0 0 1401 7.780 1.191 1 U 2.95e+06 0 e 0 0 0 0 1402 7.874 1.142 1 U 6.45e+06 0 e 0 0 0 0 1403 7.791 1.144 1 U 5.56e+06 0 e 0 0 0 0 1404 7.869 1.185 1 U 4.76e+06 0 e 0 0 0 0 1405 7.843 1.198 1 U 3.47e+06 0 e 0 0 0 0 1406 7.758 1.204 1 U 2.7e+06 0 e 0 0 0 0 1407 7.519 1.185 1 U 2.04e+06 0 e 0 0 0 0 1408 7.516 1.141 1 U 1.02e+07 0 e 0 0 0 0 1409 7.517 1.451 1 U 6.6e+06 0 e 0 0 0 0 1410 7.777 1.314 1 U 3.2e+06 0 e 0 0 0 0 1411 7.698 1.486 1 U 2.58e+06 0 e 0 0 0 0 1412 7.706 1.443 1 U 2.34e+06 0 e 0 0 0 0 1413 8.073 1.582 1 U 2.51e+06 0 e 0 0 0 0 1414 7.788 1.856 1 U 4.99e+06 0 e 0 0 0 0 1415 7.870 1.844 1 U 1.03e+07 0 e 0 0 0 0 1416 7.869 1.766 1 U 4.97e+06 0 e 0 0 0 0 1417 7.923 1.762 1 U 2.67e+06 0 e 0 0 0 0 1418 7.820 1.645 1 U 4.18e+06 0 e 0 0 0 0 1419 7.690 1.143 1 U 2.43e+06 0 e 0 0 0 0 1420 6.695 2.317 1 U 5.69e+06 0 e 0 0 0 0 1421 6.684 2.063 1 U 2.65e+06 0 e 0 0 0 0 1422 6.680 2.121 1 U 1.6e+06 0 e 0 0 0 0 1423 6.949 2.117 1 U 1.5e+06 0 e 0 0 0 0 1424 6.949 2.063 1 U 3.25e+06 0 e 0 0 0 0 1425 6.943 2.312 1 U 1.38e+06 0 e 0 0 0 0 1426 6.945 2.253 1 U 1.32e+06 0 e 0 0 0 0 1427 7.013 2.305 1 U 1.36e+06 0 e 0 0 0 0 1428 7.013 2.256 1 U 1.36e+06 0 e 0 0 0 0 1429 7.015 2.142 1 U 2.56e+06 0 e 0 0 0 0 1430 7.016 2.109 1 U 2.63e+06 0 e 0 0 0 0 1431 7.016 2.070 1 U 2.54e+06 0 e 0 0 0 0 1432 7.128 2.152 1 U 2.46e+06 0 e 0 0 0 0 1433 7.129 2.072 1 U 2.95e+06 0 e 0 0 0 0 1434 7.122 2.121 1 U 2.7e+06 0 e 0 0 0 0 1435 7.128 2.297 1 U 1.69e+06 0 e 0 0 0 0 1436 7.123 2.274 1 U 1.67e+06 0 e 0 0 0 0 1437 7.120 1.975 1 U 2.6e+06 0 e 0 0 0 0 1438 7.012 1.974 1 U 2.98e+06 0 e 0 0 0 0 1439 7.352 2.129 1 U 1.62e+06 0 e 0 0 0 0 1440 7.134 1.851 1 U 1.73e+06 0 e 0 0 0 0 1441 7.012 1.839 1 U 1.61e+06 0 e 0 0 0 0 1442 7.015 1.792 1 U 3.36e+06 0 e 0 0 0 0 1443 7.122 1.796 1 U 2.78e+06 0 e 0 0 0 0 1444 7.016 1.642 1 U 2.14e+06 0 e 0 0 0 0 1445 6.832 1.650 1 U 1.64e+06 0 e 0 0 0 0 1446 6.816 2.272 1 U 1.89e+06 0 e 0 0 0 0 1447 6.679 1.485 1 U 1.92e+06 0 e 0 0 0 0 1448 6.683 1.448 1 U 2.54e+06 0 e 0 0 0 0 1449 6.679 1.370 1 U 3.63e+06 0 e 0 0 0 0 1450 6.680 1.351 1 U 3.23e+06 0 e 0 0 0 0 1451 6.676 1.187 1 U 4.04e+06 0 e 0 0 0 0 1452 6.674 1.139 1 U 5.21e+06 0 e 0 0 0 0 1453 6.832 1.190 1 U 5.18e+06 0 e 0 0 0 0 1454 6.835 1.144 1 U 6.07e+06 0 e 0 0 0 0 1455 7.014 1.190 1 U 2.13e+07 0 e 0 0 0 0 1456 7.015 1.143 1 U 1.91e+07 0 e 0 0 0 0 1457 6.951 1.189 1 U 5.63e+06 0 e 0 0 0 0 1458 6.951 1.143 1 U 7.85e+06 0 e 0 0 0 0 1459 6.950 1.369 1 U 3.87e+06 0 e 0 0 0 0 1460 7.014 1.359 1 U 8.01e+06 0 e 0 0 0 0 1461 6.949 1.581 1 U 2.62e+06 0 e 0 0 0 0 1462 6.951 1.489 1 U 2.54e+06 0 e 0 0 0 0 1463 6.949 1.450 1 U 2.48e+06 0 e 0 0 0 0 1464 6.831 1.485 1 U 2.28e+06 0 e 0 0 0 0 1465 6.834 1.444 1 U 3.93e+06 0 e 0 0 0 0 1466 6.829 1.356 1 U 3.72e+06 0 e 0 0 0 0 1467 7.016 1.483 1 U 4.4e+06 0 e 0 0 0 0 1468 7.016 1.445 1 U 6.58e+06 0 e 0 0 0 0 1469 7.128 1.594 1 U 1.97e+06 0 e 0 0 0 0 1470 7.120 1.647 1 U 2.9e+06 0 e 0 0 0 0 1471 7.205 1.648 1 U 3.35e+06 0 e 0 0 0 0 1472 7.127 1.483 1 U 5.25e+06 0 e 0 0 0 0 1473 7.121 1.446 1 U 8.93e+06 0 e 0 0 0 0 1474 7.119 1.363 1 U 9.71e+06 0 e 0 0 0 0 1475 7.207 1.483 1 U 3.89e+06 0 e 0 0 0 0 1476 7.209 1.444 1 U 7.58e+06 0 e 0 0 0 0 1477 7.204 1.363 1 U 5.11e+06 0 e 0 0 0 0 1478 7.115 1.190 1 U 3.95e+07 0 e 0 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0 e 0 0 0 0 1503 4.106 2.311 1 U 1.97e+07 0 e 0 0 0 0 1504 4.092 2.144 1 U 1.21e+07 0 e 0 0 0 0 1505 4.087 1.845 1 U 3.6e+06 0 e 0 0 0 0 1506 4.068 1.758 1 U 1.08e+07 0 e 0 0 0 0 1507 4.068 1.633 1 U 9.77e+06 0 e 0 0 0 0 1508 4.093 2.095 1 U 1.86e+07 0 e 0 0 0 0 1509 4.001 2.063 1 U 9.4e+06 0 e 0 0 0 0 1510 3.969 2.157 1 U 7.28e+06 0 e 0 0 0 0 1511 4.406 1.351 1 U 3.33e+06 0 e 0 0 0 0 1512 3.964 1.977 1 U 3.14e+06 0 e 0 0 0 0 1513 3.892 1.974 1 U 7.32e+06 0 e 0 0 0 0 1514 3.891 1.844 1 U 1.19e+07 0 e 0 0 0 0 1515 3.882 2.309 1 U 2.63e+06 0 e 0 0 0 0 1516 3.875 2.075 1 U 3.82e+06 0 e 0 0 0 0 1517 3.813 2.067 1 U 2.83e+06 0 e 0 0 0 0 1518 3.832 2.160 1 U 1.36e+07 0 e 0 0 0 0 1519 0.887 0.670 1 U 2.9e+07 0 e 0 0 0 0 1520 0.818 0.669 1 U 5.3e+07 0 e 0 0 0 0 1521 1.182 0.669 1 U 5.59e+07 0 e 0 0 0 0 1522 1.138 0.672 1 U 4.33e+07 0 e 0 0 0 0 1523 1.180 0.739 1 U 2.63e+07 0 e 0 0 0 0 1524 1.150 0.739 1 U 2.57e+07 0 e 0 0 0 0 1525 1.178 0.906 1 U 3.18e+07 0 e 0 0 0 0 1526 1.139 0.907 1 U 3.86e+07 0 e 0 0 0 0 1527 1.139 0.874 1 U 5.32e+07 0 e 0 0 0 0 1528 0.887 1.142 1 U 4.44e+07 0 e 0 0 0 0 1529 0.880 1.264 1 U 3.13e+07 0 e 0 0 0 0 1530 0.874 1.187 1 U 4.42e+07 0 e 0 0 0 0 1531 0.826 1.242 1 U 4.92e+07 0 e 0 0 0 0 1532 0.827 1.191 1 U 9.36e+07 0 e 0 0 0 0 1533 0.832 1.143 1 U 7.21e+07 0 e 0 0 0 0 1534 1.354 0.876 1 U 2.88e+07 0 e 0 0 0 0 1535 1.351 0.828 1 U 3.48e+07 0 e 0 0 0 0 1536 1.342 0.907 1 U 2.95e+07 0 e 0 0 0 0 1537 1.309 0.879 1 U 3.29e+07 0 e 0 0 0 0 1538 1.435 0.871 1 U 2.5e+07 0 e 0 0 0 0 1539 1.442 0.827 1 U 3.29e+07 0 e 0 0 0 0 1540 1.639 0.908 1 U 1.27e+07 0 e 0 0 0 0 1541 1.780 0.912 1 U 9.53e+06 0 e 0 0 0 0 1542 3.241 0.672 1 U 3.35e+06 0 e 0 0 0 0 1543 3.244 1.488 1 U 4.88e+06 0 e 0 0 0 0 1544 3.150 0.791 1 U 3.93e+06 0 e 0 0 0 0 1545 4.310 0.669 1 U 4.47e+06 0 e 0 0 0 0 1546 4.131 0.672 1 U 6.02e+06 0 e 0 0 0 0 1547 4.012 0.670 1 U 3.92e+06 0 e 0 0 0 0 1548 3.963 0.670 1 U 4.28e+06 0 e 0 0 0 0 1549 3.894 0.670 1 U 3.22e+06 0 e 0 0 0 0 1550 3.834 0.670 1 U 6.01e+06 0 e 0 0 0 0 1551 4.143 0.739 1 U 4.25e+07 0 e 0 0 0 0 1552 4.019 0.741 1 U 3.59e+06 0 e 0 0 0 0 1553 3.901 0.909 1 U 5.62e+06 0 e 0 0 0 0 1554 3.892 0.876 1 U 1.07e+07 0 e 0 0 0 0 1555 3.892 0.829 1 U 1.58e+07 0 e 0 0 0 0 1556 3.884 0.792 1 U 4.17e+06 0 e 0 0 0 0 1557 3.825 1.187 1 U 3.67e+06 0 e 0 0 0 0 1558 3.834 0.910 1 U 2.46e+07 0 e 0 0 0 0 1559 3.833 0.823 1 U 3.07e+07 0 e 0 0 0 0 1560 3.822 0.850 1 U 1.03e+07 0 e 0 0 0 0 1561 4.014 0.790 1 U 5.31e+06 0 e 0 0 0 0 1562 4.001 0.858 1 U 3.49e+07 0 e 0 0 0 0 1563 3.964 0.826 1 U 1.24e+07 0 e 0 0 0 0 1564 3.964 0.910 1 U 2.36e+07 0 e 0 0 0 0 1565 4.127 0.907 1 U 5.25e+06 0 e 0 0 0 0 1566 4.191 0.910 1 U 6.48e+06 0 e 0 0 0 0 1567 4.134 0.859 1 U 8.88e+06 0 e 0 0 0 0 1568 4.134 0.826 1 U 9.44e+06 0 e 0 0 0 0 1569 4.206 0.789 1 U 5.2e+06 0 e 0 0 0 0 1570 4.141 0.789 1 U 1.88e+07 0 e 0 0 0 0 1571 4.192 0.824 1 U 7.47e+06 0 e 0 0 0 0 1572 4.276 0.859 1 U 8.42e+06 0 e 0 0 0 0 1573 4.311 0.829 1 U 5.25e+06 0 e 0 0 0 0 1574 4.251 0.789 1 U 4.34e+06 0 e 0 0 0 0 1575 3.884 1.190 1 U 5.67e+06 0 e 0 0 0 0 1576 3.888 1.140 1 U 7.85e+06 0 e 0 0 0 0 1577 3.836 1.140 1 U 7.69e+06 0 e 0 0 0 0 1578 4.014 1.186 1 U 8.07e+06 0 e 0 0 0 0 1579 4.015 1.143 1 U 9.6e+06 0 e 0 0 0 0 1580 3.970 1.144 1 U 6.8e+06 0 e 0 0 0 0 1581 3.900 1.336 1 U 9.29e+06 0 e 0 0 0 0 1582 3.892 1.445 1 U 1.85e+07 0 e 0 0 0 0 1583 3.887 1.347 1 U 8.58e+06 0 e 0 0 0 0 1584 3.828 1.441 1 U 4.9e+06 0 e 0 0 0 0 1585 3.828 1.347 1 U 5.12e+06 0 e 0 0 0 0 1586 4.015 1.340 1 U 2.28e+07 0 e 0 0 0 0 1587 3.967 1.487 1 U 5.82e+07 0 e 0 0 0 0 1588 4.092 1.487 1 U 2.89e+07 0 e 0 0 0 0 1589 4.072 1.428 1 U 8.07e+06 0 e 0 0 0 0 1590 4.136 1.372 1 U 4.1e+07 0 e 0 0 0 0 1591 4.124 1.336 1 U 1.52e+07 0 e 0 0 0 0 1592 4.129 1.446 1 U 1.55e+07 0 e 0 0 0 0 1593 4.136 1.484 1 U 1.89e+07 0 e 0 0 0 0 1594 4.319 1.346 1 U 1.17e+07 0 e 0 0 0 0 1595 4.313 1.330 1 U 1.33e+07 0 e 0 0 0 0 1596 4.309 1.487 1 U 3.59e+06 0 e 0 0 0 0 1597 4.135 1.184 1 U 7.11e+06 0 e 0 0 0 0 1598 4.302 1.179 1 U 3.32e+06 0 e 0 0 0 0 1599 3.974 1.188 1 U 4.3e+06 0 e 0 0 0 0 1600 10.084 1.126 1 U 1.85e+06 0 e 0 0 0 0 1601 10.085 0.858 1 U 1.62e+06 0 e 0 0 0 0 1602 10.087 0.669 1 U 1.23e+06 0 e 0 0 0 0 1603 8.204 7.879 1 U 3.94e+06 0 e 0 0 0 0 1604 1.478 7.885 1 U 2.03e+07 0 e 0 0 0 0 1605 1.484 3.896 1 U 9.94e+06 0 e 0 0 0 0 1606 1.477 3.513 1 U 7.39e+06 0 e 0 0 0 0 1607 1.137 0.826 1 U 7.91e+07 0 e 0 0 0 0 1608 1.183 0.877 1 U 4.44e+07 0 e 0 0 0 0 1609 1.148 0.790 1 U 3.6e+07 0 e 0 0 0 0 1610 1.183 0.792 1 U 3.81e+07 0 e 0 0 0 0 1611 0.784 0.740 1 U 1.27e+08 0 e 0 0 0 0 1612 0.731 0.786 1 U 1.26e+08 0 e 0 0 0 0 1613 0.788 1.190 1 U 3.37e+07 0 e 0 0 0 0 1614 0.733 1.361 1 U 1.36e+07 0 e 0 0 0 0 1615 1.187 0.827 1 U 1.01e+08 0 e 0 0 0 0 1616 2.306 4.125 1 U 1.72e+07 0 e 0 126 120 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 . 'not observed' 11160.714 Hz . . . 4.676 . . 31279 1 2 . . H 1 H . 'not observed' 11160.714 Hz . . . 4.676 . . 31279 1 stop_ save_