data_34217 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34217 _Entry.Title ; Solution structure of the RING domain of the E3 ubiquitin ligase HRD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-14 _Entry.Accession_date 2017-12-14 _Entry.Last_release_date 2019-01-22 _Entry.Original_release_date 2019-01-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34217 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Kniss A. . . . 34217 2 S. Kazemi S. . . . 34217 3 F. Lohr F. . . . 34217 4 P. Guntert P. . . . 34217 5 V. Dotsch V. . . . 34217 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RING domain' . 34217 ligase . 34217 ubiquitin . 34217 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34217 spectral_peak_list 3 34217 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 34217 '15N chemical shifts' 73 34217 '1H chemical shifts' 513 34217 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 . . 2019-01-28 . original BMRB . 34217 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6F98 . 34217 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34217 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the RING domain of the E3 ubiquitin ligase HRD1 ; _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 A. Kniss A. . . . 34217 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34217 _Assembly.ID 1 _Assembly.Name 'E3 ubiquitin-protein ligase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34217 1 2 'entity_2, 1' 2 $entity_ZN B A no . . . . . . 34217 1 3 'entity_2, 2' 2 $entity_ZN C A no . . . . . . 34217 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 15 15 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34217 1 2 coordination single . 1 . 1 CYS 18 18 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34217 1 3 coordination single . 1 . 1 HIS 48 48 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34217 1 4 coordination single . 1 . 1 CYS 51 51 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34217 1 5 coordination single . 1 . 1 CYS 43 43 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34217 1 6 coordination single . 1 . 1 HIS 45 45 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34217 1 7 coordination single . 1 . 1 CYS 62 62 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34217 1 8 coordination single . 1 . 1 CYS 65 65 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34217 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34217 _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 ; GAEQLQNSANDDNICIICMD ELIHSPNQQTWKNKNKKPKR LPCGHILHLSCLKNWMERSQ TCPICRLPVFDEKGNVVQ ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8985.388 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34217 1 2 . ALA . 34217 1 3 . GLU . 34217 1 4 . GLN . 34217 1 5 . LEU . 34217 1 6 . GLN . 34217 1 7 . ASN . 34217 1 8 . SER . 34217 1 9 . ALA . 34217 1 10 . ASN . 34217 1 11 . ASP . 34217 1 12 . ASP . 34217 1 13 . ASN . 34217 1 14 . ILE . 34217 1 15 . CYS . 34217 1 16 . ILE . 34217 1 17 . ILE . 34217 1 18 . CYS . 34217 1 19 . MET . 34217 1 20 . ASP . 34217 1 21 . GLU . 34217 1 22 . LEU . 34217 1 23 . ILE . 34217 1 24 . HIS . 34217 1 25 . SER . 34217 1 26 . PRO . 34217 1 27 . ASN . 34217 1 28 . GLN . 34217 1 29 . GLN . 34217 1 30 . THR . 34217 1 31 . TRP . 34217 1 32 . LYS . 34217 1 33 . ASN . 34217 1 34 . LYS . 34217 1 35 . ASN . 34217 1 36 . LYS . 34217 1 37 . LYS . 34217 1 38 . PRO . 34217 1 39 . LYS . 34217 1 40 . ARG . 34217 1 41 . LEU . 34217 1 42 . PRO . 34217 1 43 . CYS . 34217 1 44 . GLY . 34217 1 45 . HIS . 34217 1 46 . ILE . 34217 1 47 . LEU . 34217 1 48 . HIS . 34217 1 49 . LEU . 34217 1 50 . SER . 34217 1 51 . CYS . 34217 1 52 . LEU . 34217 1 53 . LYS . 34217 1 54 . ASN . 34217 1 55 . TRP . 34217 1 56 . MET . 34217 1 57 . GLU . 34217 1 58 . ARG . 34217 1 59 . SER . 34217 1 60 . GLN . 34217 1 61 . THR . 34217 1 62 . CYS . 34217 1 63 . PRO . 34217 1 64 . ILE . 34217 1 65 . CYS . 34217 1 66 . ARG . 34217 1 67 . LEU . 34217 1 68 . PRO . 34217 1 69 . VAL . 34217 1 70 . PHE . 34217 1 71 . ASP . 34217 1 72 . GLU . 34217 1 73 . LYS . 34217 1 74 . GLY . 34217 1 75 . ASN . 34217 1 76 . VAL . 34217 1 77 . VAL . 34217 1 78 . GLN . 34217 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 . GLY 1 1 34217 1 . ALA 2 2 34217 1 . GLU 3 3 34217 1 . GLN 4 4 34217 1 . LEU 5 5 34217 1 . GLN 6 6 34217 1 . ASN 7 7 34217 1 . SER 8 8 34217 1 . ALA 9 9 34217 1 . ASN 10 10 34217 1 . ASP 11 11 34217 1 . ASP 12 12 34217 1 . ASN 13 13 34217 1 . ILE 14 14 34217 1 . CYS 15 15 34217 1 . ILE 16 16 34217 1 . ILE 17 17 34217 1 . CYS 18 18 34217 1 . MET 19 19 34217 1 . ASP 20 20 34217 1 . GLU 21 21 34217 1 . LEU 22 22 34217 1 . ILE 23 23 34217 1 . HIS 24 24 34217 1 . SER 25 25 34217 1 . PRO 26 26 34217 1 . ASN 27 27 34217 1 . GLN 28 28 34217 1 . GLN 29 29 34217 1 . THR 30 30 34217 1 . TRP 31 31 34217 1 . LYS 32 32 34217 1 . ASN 33 33 34217 1 . LYS 34 34 34217 1 . ASN 35 35 34217 1 . LYS 36 36 34217 1 . LYS 37 37 34217 1 . PRO 38 38 34217 1 . LYS 39 39 34217 1 . ARG 40 40 34217 1 . LEU 41 41 34217 1 . PRO 42 42 34217 1 . CYS 43 43 34217 1 . GLY 44 44 34217 1 . HIS 45 45 34217 1 . ILE 46 46 34217 1 . LEU 47 47 34217 1 . HIS 48 48 34217 1 . LEU 49 49 34217 1 . SER 50 50 34217 1 . CYS 51 51 34217 1 . LEU 52 52 34217 1 . LYS 53 53 34217 1 . ASN 54 54 34217 1 . TRP 55 55 34217 1 . MET 56 56 34217 1 . GLU 57 57 34217 1 . ARG 58 58 34217 1 . SER 59 59 34217 1 . GLN 60 60 34217 1 . THR 61 61 34217 1 . CYS 62 62 34217 1 . PRO 63 63 34217 1 . ILE 64 64 34217 1 . CYS 65 65 34217 1 . ARG 66 66 34217 1 . LEU 67 67 34217 1 . PRO 68 68 34217 1 . VAL 69 69 34217 1 . PHE 70 70 34217 1 . ASP 71 71 34217 1 . GLU 72 72 34217 1 . LYS 73 73 34217 1 . GLY 74 74 34217 1 . ASN 75 75 34217 1 . VAL 76 76 34217 1 . VAL 77 77 34217 1 . GLN 78 78 34217 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34217 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34217 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34217 2 ZN 'Three letter code' 34217 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 34217 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34217 _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 . 4932 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . 'HRD1, SCKG_1066' . 34217 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 34217 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34217 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 34217 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34217 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34217 ZN [Zn++] SMILES CACTVS 3.341 34217 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34217 ZN [Zn+2] SMILES ACDLabs 10.04 34217 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34217 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34217 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 34217 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34217 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34217 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34217 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-98% 13C; U-98% 15N] E3 ubiquitin ligase Hrd1, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'E3 ubiquitin ligase Hrd1' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 34217 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 34217 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34217 1 pH 7.0 . pH 34217 1 pressure 1 . atm 34217 1 temperature 303 . K 34217 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34217 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34217 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34217 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34217 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Peter Guntert' . . 34217 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34217 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34217 _Software.ID 3 _Software.Type . _Software.Name OPAL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 34217 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34217 3 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 34217 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34217 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34217 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . 34217 1 2 NMR_spectrometer_2 Bruker Avance . 950 . . . 34217 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 34217 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34217 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34217 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 8 '3D 1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 9 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 11 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 1 12 '2D HCBCGCDH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34217 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 34217 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34217 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34217 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34217 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 34217 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 34217 1 2 '3D 1H-13C NOESY aliphatic' . . . 34217 1 3 '3D 1H-13C NOESY aromatic' . . . 34217 1 4 '3D HNCACB' . . . 34217 1 5 '2D 1H-13C HSQC aromatic' . . . 34217 1 6 '2D 1H-13C HSQC aliphatic' . . . 34217 1 7 '2D 1H-15N HSQC' . . . 34217 1 8 '3D 1H TOCSY' . . . 34217 1 9 '3D HNCACO' . . . 34217 1 10 '3D HNCO' . . . 34217 1 11 '3D HN(COCA)CB' . . . 34217 1 12 '2D HCBCGCDH TOCSY' . . . 34217 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.871 0.020 . 2 . . . . A 1 GLY HA2 . 34217 1 2 . 1 1 1 1 GLY HA3 H 1 3.846 0.020 . 2 . . . . A 1 GLY HA3 . 34217 1 3 . 1 1 1 1 GLY CA C 13 43.661 0.400 . 1 . . . . A 1 GLY CA . 34217 1 4 . 1 1 2 2 ALA HA H 1 4.318 0.020 . 1 . . . . A 2 ALA HA . 34217 1 5 . 1 1 2 2 ALA HB1 H 1 1.398 0.020 . 1 . . . . A 2 ALA HB1 . 34217 1 6 . 1 1 2 2 ALA HB2 H 1 1.398 0.020 . 1 . . . . A 2 ALA HB2 . 34217 1 7 . 1 1 2 2 ALA HB3 H 1 1.398 0.020 . 1 . . . . A 2 ALA HB3 . 34217 1 8 . 1 1 2 2 ALA C C 13 177.868 0.400 . 1 . . . . A 2 ALA C . 34217 1 9 . 1 1 2 2 ALA CA C 13 52.952 0.400 . 1 . . . . A 2 ALA CA . 34217 1 10 . 1 1 2 2 ALA CB C 13 19.120 0.400 . 1 . . . . A 2 ALA CB . 34217 1 11 . 1 1 3 3 GLU H H 1 8.717 0.020 . 1 . . . . A 3 GLU H . 34217 1 12 . 1 1 3 3 GLU HA H 1 4.236 0.020 . 1 . . . . A 3 GLU HA . 34217 1 13 . 1 1 3 3 GLU HB2 H 1 2.045 0.020 . 2 . . . . A 3 GLU HB2 . 34217 1 14 . 1 1 3 3 GLU HB3 H 1 1.962 0.020 . 2 . . . . A 3 GLU HB3 . 34217 1 15 . 1 1 3 3 GLU HG2 H 1 2.304 0.020 . 2 . . . . A 3 GLU HG2 . 34217 1 16 . 1 1 3 3 GLU HG3 H 1 2.256 0.020 . 2 . . . . A 3 GLU HG3 . 34217 1 17 . 1 1 3 3 GLU C C 13 176.630 0.400 . 1 . . . . A 3 GLU C . 34217 1 18 . 1 1 3 3 GLU CA C 13 57.252 0.400 . 1 . . . . A 3 GLU CA . 34217 1 19 . 1 1 3 3 GLU CB C 13 29.674 0.400 . 1 . . . . A 3 GLU CB . 34217 1 20 . 1 1 3 3 GLU CG C 13 36.182 0.400 . 1 . . . . A 3 GLU CG . 34217 1 21 . 1 1 3 3 GLU N N 15 120.085 0.400 . 1 . . . . A 3 GLU N . 34217 1 22 . 1 1 4 4 GLN H H 1 8.285 0.020 . 1 . . . . A 4 GLN H . 34217 1 23 . 1 1 4 4 GLN HA H 1 4.328 0.020 . 1 . . . . A 4 GLN HA . 34217 1 24 . 1 1 4 4 GLN HB2 H 1 2.104 0.020 . 2 . . . . A 4 GLN HB2 . 34217 1 25 . 1 1 4 4 GLN HB3 H 1 2.006 0.020 . 2 . . . . A 4 GLN HB3 . 34217 1 26 . 1 1 4 4 GLN HG2 H 1 2.368 0.020 . 2 . . . . A 4 GLN HG2 . 34217 1 27 . 1 1 4 4 GLN HG3 H 1 2.368 0.020 . 2 . . . . A 4 GLN HG3 . 34217 1 28 . 1 1 4 4 GLN C C 13 175.961 0.400 . 1 . . . . A 4 GLN C . 34217 1 29 . 1 1 4 4 GLN CA C 13 55.995 0.400 . 1 . . . . A 4 GLN CA . 34217 1 30 . 1 1 4 4 GLN CB C 13 29.376 0.400 . 1 . . . . A 4 GLN CB . 34217 1 31 . 1 1 4 4 GLN CG C 13 33.992 0.400 . 1 . . . . A 4 GLN CG . 34217 1 32 . 1 1 4 4 GLN N N 15 120.880 0.400 . 1 . . . . A 4 GLN N . 34217 1 33 . 1 1 5 5 LEU H H 1 8.182 0.020 . 1 . . . . A 5 LEU H . 34217 1 34 . 1 1 5 5 LEU HA H 1 4.329 0.020 . 1 . . . . A 5 LEU HA . 34217 1 35 . 1 1 5 5 LEU HB2 H 1 1.657 0.020 . 2 . . . . A 5 LEU HB2 . 34217 1 36 . 1 1 5 5 LEU HB3 H 1 1.577 0.020 . 2 . . . . A 5 LEU HB3 . 34217 1 37 . 1 1 5 5 LEU HG H 1 1.616 0.020 . 1 . . . . A 5 LEU HG . 34217 1 38 . 1 1 5 5 LEU HD11 H 1 0.909 0.020 . 2 . . . . A 5 LEU HD11 . 34217 1 39 . 1 1 5 5 LEU HD12 H 1 0.909 0.020 . 2 . . . . A 5 LEU HD12 . 34217 1 40 . 1 1 5 5 LEU HD13 H 1 0.909 0.020 . 2 . . . . A 5 LEU HD13 . 34217 1 41 . 1 1 5 5 LEU HD21 H 1 0.859 0.020 . 2 . . . . A 5 LEU HD21 . 34217 1 42 . 1 1 5 5 LEU HD22 H 1 0.859 0.020 . 2 . . . . A 5 LEU HD22 . 34217 1 43 . 1 1 5 5 LEU HD23 H 1 0.859 0.020 . 2 . . . . A 5 LEU HD23 . 34217 1 44 . 1 1 5 5 LEU C C 13 177.390 0.400 . 1 . . . . A 5 LEU C . 34217 1 45 . 1 1 5 5 LEU CA C 13 55.376 0.400 . 1 . . . . A 5 LEU CA . 34217 1 46 . 1 1 5 5 LEU CB C 13 42.282 0.400 . 1 . . . . A 5 LEU CB . 34217 1 47 . 1 1 5 5 LEU CG C 13 27.093 0.400 . 1 . . . . A 5 LEU CG . 34217 1 48 . 1 1 5 5 LEU CD1 C 13 25.043 0.400 . 2 . . . . A 5 LEU CD1 . 34217 1 49 . 1 1 5 5 LEU CD2 C 13 23.442 0.400 . 2 . . . . A 5 LEU CD2 . 34217 1 50 . 1 1 5 5 LEU N N 15 123.215 0.400 . 1 . . . . A 5 LEU N . 34217 1 51 . 1 1 6 6 GLN H H 1 8.321 0.020 . 1 . . . . A 6 GLN H . 34217 1 52 . 1 1 6 6 GLN HA H 1 4.325 0.020 . 1 . . . . A 6 GLN HA . 34217 1 53 . 1 1 6 6 GLN HB2 H 1 1.975 0.020 . 2 . . . . A 6 GLN HB2 . 34217 1 54 . 1 1 6 6 GLN HB3 H 1 1.975 0.020 . 2 . . . . A 6 GLN HB3 . 34217 1 55 . 1 1 6 6 GLN HG2 H 1 2.356 0.020 . 2 . . . . A 6 GLN HG2 . 34217 1 56 . 1 1 6 6 GLN HG3 H 1 2.356 0.020 . 2 . . . . A 6 GLN HG3 . 34217 1 57 . 1 1 6 6 GLN C C 13 175.727 0.400 . 1 . . . . A 6 GLN C . 34217 1 58 . 1 1 6 6 GLN CA C 13 55.948 0.400 . 1 . . . . A 6 GLN CA . 34217 1 59 . 1 1 6 6 GLN CB C 13 29.420 0.400 . 1 . . . . A 6 GLN CB . 34217 1 60 . 1 1 6 6 GLN CG C 13 33.826 0.400 . 1 . . . . A 6 GLN CG . 34217 1 61 . 1 1 6 6 GLN N N 15 120.648 0.400 . 1 . . . . A 6 GLN N . 34217 1 62 . 1 1 7 7 ASN H H 1 8.420 0.020 . 1 . . . . A 7 ASN H . 34217 1 63 . 1 1 7 7 ASN HA H 1 4.727 0.020 . 1 . . . . A 7 ASN HA . 34217 1 64 . 1 1 7 7 ASN HB2 H 1 2.835 0.020 . 2 . . . . A 7 ASN HB2 . 34217 1 65 . 1 1 7 7 ASN HB3 H 1 2.762 0.020 . 2 . . . . A 7 ASN HB3 . 34217 1 66 . 1 1 7 7 ASN C C 13 175.230 0.400 . 1 . . . . A 7 ASN C . 34217 1 67 . 1 1 7 7 ASN CA C 13 53.387 0.400 . 1 . . . . A 7 ASN CA . 34217 1 68 . 1 1 7 7 ASN CB C 13 39.082 0.400 . 1 . . . . A 7 ASN CB . 34217 1 69 . 1 1 7 7 ASN N N 15 119.952 0.400 . 1 . . . . A 7 ASN N . 34217 1 70 . 1 1 8 8 SER H H 1 8.287 0.020 . 1 . . . . A 8 SER H . 34217 1 71 . 1 1 8 8 SER HA H 1 4.432 0.020 . 1 . . . . A 8 SER HA . 34217 1 72 . 1 1 8 8 SER HB2 H 1 3.886 0.020 . 2 . . . . A 8 SER HB2 . 34217 1 73 . 1 1 8 8 SER HB3 H 1 3.846 0.020 . 2 . . . . A 8 SER HB3 . 34217 1 74 . 1 1 8 8 SER C C 13 174.244 0.400 . 1 . . . . A 8 SER C . 34217 1 75 . 1 1 8 8 SER CA C 13 58.457 0.400 . 1 . . . . A 8 SER CA . 34217 1 76 . 1 1 8 8 SER CB C 13 63.994 0.400 . 1 . . . . A 8 SER CB . 34217 1 77 . 1 1 8 8 SER N N 15 116.434 0.400 . 1 . . . . A 8 SER N . 34217 1 78 . 1 1 9 9 ALA H H 1 8.298 0.020 . 1 . . . . A 9 ALA H . 34217 1 79 . 1 1 9 9 ALA HA H 1 4.326 0.020 . 1 . . . . A 9 ALA HA . 34217 1 80 . 1 1 9 9 ALA HB1 H 1 1.367 0.020 . 1 . . . . A 9 ALA HB1 . 34217 1 81 . 1 1 9 9 ALA HB2 H 1 1.367 0.020 . 1 . . . . A 9 ALA HB2 . 34217 1 82 . 1 1 9 9 ALA HB3 H 1 1.367 0.020 . 1 . . . . A 9 ALA HB3 . 34217 1 83 . 1 1 9 9 ALA C C 13 177.380 0.400 . 1 . . . . A 9 ALA C . 34217 1 84 . 1 1 9 9 ALA CA C 13 52.673 0.400 . 1 . . . . A 9 ALA CA . 34217 1 85 . 1 1 9 9 ALA CB C 13 19.266 0.400 . 1 . . . . A 9 ALA CB . 34217 1 86 . 1 1 9 9 ALA N N 15 125.504 0.400 . 1 . . . . A 9 ALA N . 34217 1 87 . 1 1 10 10 ASN H H 1 8.262 0.020 . 1 . . . . A 10 ASN H . 34217 1 88 . 1 1 10 10 ASN HA H 1 4.678 0.020 . 1 . . . . A 10 ASN HA . 34217 1 89 . 1 1 10 10 ASN HB2 H 1 2.817 0.020 . 2 . . . . A 10 ASN HB2 . 34217 1 90 . 1 1 10 10 ASN HB3 H 1 2.710 0.020 . 2 . . . . A 10 ASN HB3 . 34217 1 91 . 1 1 10 10 ASN C C 13 174.960 0.400 . 1 . . . . A 10 ASN C . 34217 1 92 . 1 1 10 10 ASN CA C 13 53.374 0.400 . 1 . . . . A 10 ASN CA . 34217 1 93 . 1 1 10 10 ASN CB C 13 39.215 0.400 . 1 . . . . A 10 ASN CB . 34217 1 94 . 1 1 10 10 ASN N N 15 117.490 0.400 . 1 . . . . A 10 ASN N . 34217 1 95 . 1 1 11 11 ASP H H 1 8.177 0.020 . 1 . . . . A 11 ASP H . 34217 1 96 . 1 1 11 11 ASP HA H 1 4.591 0.020 . 1 . . . . A 11 ASP HA . 34217 1 97 . 1 1 11 11 ASP HB2 H 1 2.696 0.020 . 2 . . . . A 11 ASP HB2 . 34217 1 98 . 1 1 11 11 ASP HB3 H 1 2.598 0.020 . 2 . . . . A 11 ASP HB3 . 34217 1 99 . 1 1 11 11 ASP C C 13 176.144 0.400 . 1 . . . . A 11 ASP C . 34217 1 100 . 1 1 11 11 ASP CA C 13 54.668 0.400 . 1 . . . . A 11 ASP CA . 34217 1 101 . 1 1 11 11 ASP CB C 13 41.335 0.400 . 1 . . . . A 11 ASP CB . 34217 1 102 . 1 1 11 11 ASP N N 15 120.836 0.400 . 1 . . . . A 11 ASP N . 34217 1 103 . 1 1 12 12 ASP H H 1 8.259 0.020 . 1 . . . . A 12 ASP H . 34217 1 104 . 1 1 12 12 ASP HA H 1 4.570 0.020 . 1 . . . . A 12 ASP HA . 34217 1 105 . 1 1 12 12 ASP HB2 H 1 2.686 0.020 . 2 . . . . A 12 ASP HB2 . 34217 1 106 . 1 1 12 12 ASP HB3 H 1 2.662 0.020 . 2 . . . . A 12 ASP HB3 . 34217 1 107 . 1 1 12 12 ASP C C 13 176.149 0.400 . 1 . . . . A 12 ASP C . 34217 1 108 . 1 1 12 12 ASP CA C 13 54.870 0.400 . 1 . . . . A 12 ASP CA . 34217 1 109 . 1 1 12 12 ASP CB C 13 40.976 0.400 . 1 . . . . A 12 ASP CB . 34217 1 110 . 1 1 12 12 ASP N N 15 120.467 0.400 . 1 . . . . A 12 ASP N . 34217 1 111 . 1 1 13 13 ASN H H 1 8.485 0.020 . 1 . . . . A 13 ASN H . 34217 1 112 . 1 1 13 13 ASN HA H 1 4.817 0.020 . 1 . . . . A 13 ASN HA . 34217 1 113 . 1 1 13 13 ASN HB2 H 1 2.961 0.020 . 2 . . . . A 13 ASN HB2 . 34217 1 114 . 1 1 13 13 ASN HB3 H 1 2.716 0.020 . 2 . . . . A 13 ASN HB3 . 34217 1 115 . 1 1 13 13 ASN C C 13 174.477 0.400 . 1 . . . . A 13 ASN C . 34217 1 116 . 1 1 13 13 ASN CA C 13 53.312 0.400 . 1 . . . . A 13 ASN CA . 34217 1 117 . 1 1 13 13 ASN CB C 13 39.168 0.400 . 1 . . . . A 13 ASN CB . 34217 1 118 . 1 1 13 13 ASN N N 15 116.962 0.400 . 1 . . . . A 13 ASN N . 34217 1 119 . 1 1 14 14 ILE H H 1 7.596 0.020 . 1 . . . . A 14 ILE H . 34217 1 120 . 1 1 14 14 ILE HA H 1 4.360 0.020 . 1 . . . . A 14 ILE HA . 34217 1 121 . 1 1 14 14 ILE HB H 1 1.631 0.020 . 1 . . . . A 14 ILE HB . 34217 1 122 . 1 1 14 14 ILE HG12 H 1 1.243 0.020 . 2 . . . . A 14 ILE HG12 . 34217 1 123 . 1 1 14 14 ILE HG13 H 1 1.050 0.020 . 2 . . . . A 14 ILE HG13 . 34217 1 124 . 1 1 14 14 ILE HG21 H 1 0.631 0.020 . 1 . . . . A 14 ILE HG21 . 34217 1 125 . 1 1 14 14 ILE HG22 H 1 0.631 0.020 . 1 . . . . A 14 ILE HG22 . 34217 1 126 . 1 1 14 14 ILE HG23 H 1 0.631 0.020 . 1 . . . . A 14 ILE HG23 . 34217 1 127 . 1 1 14 14 ILE HD11 H 1 0.687 0.020 . 1 . . . . A 14 ILE HD11 . 34217 1 128 . 1 1 14 14 ILE HD12 H 1 0.687 0.020 . 1 . . . . A 14 ILE HD12 . 34217 1 129 . 1 1 14 14 ILE HD13 H 1 0.687 0.020 . 1 . . . . A 14 ILE HD13 . 34217 1 130 . 1 1 14 14 ILE C C 13 174.922 0.400 . 1 . . . . A 14 ILE C . 34217 1 131 . 1 1 14 14 ILE CA C 13 58.847 0.400 . 1 . . . . A 14 ILE CA . 34217 1 132 . 1 1 14 14 ILE CB C 13 40.723 0.400 . 1 . . . . A 14 ILE CB . 34217 1 133 . 1 1 14 14 ILE CG1 C 13 26.632 0.400 . 1 . . . . A 14 ILE CG1 . 34217 1 134 . 1 1 14 14 ILE CG2 C 13 17.476 0.400 . 1 . . . . A 14 ILE CG2 . 34217 1 135 . 1 1 14 14 ILE CD1 C 13 12.207 0.400 . 1 . . . . A 14 ILE CD1 . 34217 1 136 . 1 1 14 14 ILE N N 15 118.294 0.400 . 1 . . . . A 14 ILE N . 34217 1 137 . 1 1 15 15 CYS H H 1 8.255 0.020 . 1 . . . . A 15 CYS H . 34217 1 138 . 1 1 15 15 CYS HA H 1 4.431 0.020 . 1 . . . . A 15 CYS HA . 34217 1 139 . 1 1 15 15 CYS HB2 H 1 3.292 0.020 . 2 . . . . A 15 CYS HB2 . 34217 1 140 . 1 1 15 15 CYS HB3 H 1 1.929 0.020 . 2 . . . . A 15 CYS HB3 . 34217 1 141 . 1 1 15 15 CYS C C 13 176.600 0.400 . 1 . . . . A 15 CYS C . 34217 1 142 . 1 1 15 15 CYS CA C 13 58.364 0.400 . 1 . . . . A 15 CYS CA . 34217 1 143 . 1 1 15 15 CYS CB C 13 31.535 0.400 . 1 . . . . A 15 CYS CB . 34217 1 144 . 1 1 15 15 CYS N N 15 127.991 0.400 . 1 . . . . A 15 CYS N . 34217 1 145 . 1 1 16 16 ILE H H 1 8.263 0.020 . 1 . . . . A 16 ILE H . 34217 1 146 . 1 1 16 16 ILE HA H 1 4.140 0.020 . 1 . . . . A 16 ILE HA . 34217 1 147 . 1 1 16 16 ILE HB H 1 1.841 0.020 . 1 . . . . A 16 ILE HB . 34217 1 148 . 1 1 16 16 ILE HG12 H 1 1.321 0.020 . 2 . . . . A 16 ILE HG12 . 34217 1 149 . 1 1 16 16 ILE HG13 H 1 1.171 0.020 . 2 . . . . A 16 ILE HG13 . 34217 1 150 . 1 1 16 16 ILE HG21 H 1 0.750 0.020 . 1 . . . . A 16 ILE HG21 . 34217 1 151 . 1 1 16 16 ILE HG22 H 1 0.750 0.020 . 1 . . . . A 16 ILE HG22 . 34217 1 152 . 1 1 16 16 ILE HG23 H 1 0.750 0.020 . 1 . . . . A 16 ILE HG23 . 34217 1 153 . 1 1 16 16 ILE HD11 H 1 0.713 0.020 . 1 . . . . A 16 ILE HD11 . 34217 1 154 . 1 1 16 16 ILE HD12 H 1 0.713 0.020 . 1 . . . . A 16 ILE HD12 . 34217 1 155 . 1 1 16 16 ILE HD13 H 1 0.713 0.020 . 1 . . . . A 16 ILE HD13 . 34217 1 156 . 1 1 16 16 ILE C C 13 174.851 0.400 . 1 . . . . A 16 ILE C . 34217 1 157 . 1 1 16 16 ILE CA C 13 62.001 0.400 . 1 . . . . A 16 ILE CA . 34217 1 158 . 1 1 16 16 ILE CB C 13 38.590 0.400 . 1 . . . . A 16 ILE CB . 34217 1 159 . 1 1 16 16 ILE CG1 C 13 28.319 0.400 . 1 . . . . A 16 ILE CG1 . 34217 1 160 . 1 1 16 16 ILE CG2 C 13 18.601 0.400 . 1 . . . . A 16 ILE CG2 . 34217 1 161 . 1 1 16 16 ILE CD1 C 13 14.412 0.400 . 1 . . . . A 16 ILE CD1 . 34217 1 162 . 1 1 16 16 ILE N N 15 127.012 0.400 . 1 . . . . A 16 ILE N . 34217 1 163 . 1 1 17 17 ILE H H 1 7.945 0.020 . 1 . . . . A 17 ILE H . 34217 1 164 . 1 1 17 17 ILE HA H 1 3.937 0.020 . 1 . . . . A 17 ILE HA . 34217 1 165 . 1 1 17 17 ILE HB H 1 1.950 0.020 . 1 . . . . A 17 ILE HB . 34217 1 166 . 1 1 17 17 ILE HG12 H 1 1.278 0.020 . 2 . . . . A 17 ILE HG12 . 34217 1 167 . 1 1 17 17 ILE HG13 H 1 1.071 0.020 . 2 . . . . A 17 ILE HG13 . 34217 1 168 . 1 1 17 17 ILE HG21 H 1 1.062 0.020 . 1 . . . . A 17 ILE HG21 . 34217 1 169 . 1 1 17 17 ILE HG22 H 1 1.062 0.020 . 1 . . . . A 17 ILE HG22 . 34217 1 170 . 1 1 17 17 ILE HG23 H 1 1.062 0.020 . 1 . . . . A 17 ILE HG23 . 34217 1 171 . 1 1 17 17 ILE HD11 H 1 0.545 0.020 . 1 . . . . A 17 ILE HD11 . 34217 1 172 . 1 1 17 17 ILE HD12 H 1 0.545 0.020 . 1 . . . . A 17 ILE HD12 . 34217 1 173 . 1 1 17 17 ILE HD13 H 1 0.545 0.020 . 1 . . . . A 17 ILE HD13 . 34217 1 174 . 1 1 17 17 ILE C C 13 176.726 0.400 . 1 . . . . A 17 ILE C . 34217 1 175 . 1 1 17 17 ILE CA C 13 62.760 0.400 . 1 . . . . A 17 ILE CA . 34217 1 176 . 1 1 17 17 ILE CB C 13 37.229 0.400 . 1 . . . . A 17 ILE CB . 34217 1 177 . 1 1 17 17 ILE CG1 C 13 28.144 0.400 . 1 . . . . A 17 ILE CG1 . 34217 1 178 . 1 1 17 17 ILE CG2 C 13 16.719 0.400 . 1 . . . . A 17 ILE CG2 . 34217 1 179 . 1 1 17 17 ILE CD1 C 13 11.795 0.400 . 1 . . . . A 17 ILE CD1 . 34217 1 180 . 1 1 17 17 ILE N N 15 120.352 0.400 . 1 . . . . A 17 ILE N . 34217 1 181 . 1 1 18 18 CYS H H 1 7.488 0.020 . 1 . . . . A 18 CYS H . 34217 1 182 . 1 1 18 18 CYS HA H 1 4.852 0.020 . 1 . . . . A 18 CYS HA . 34217 1 183 . 1 1 18 18 CYS HB2 H 1 3.247 0.020 . 2 . . . . A 18 CYS HB2 . 34217 1 184 . 1 1 18 18 CYS HB3 H 1 3.021 0.020 . 2 . . . . A 18 CYS HB3 . 34217 1 185 . 1 1 18 18 CYS C C 13 175.908 0.400 . 1 . . . . A 18 CYS C . 34217 1 186 . 1 1 18 18 CYS CA C 13 58.362 0.400 . 1 . . . . A 18 CYS CA . 34217 1 187 . 1 1 18 18 CYS CB C 13 31.581 0.400 . 1 . . . . A 18 CYS CB . 34217 1 188 . 1 1 18 18 CYS N N 15 116.018 0.400 . 1 . . . . A 18 CYS N . 34217 1 189 . 1 1 19 19 MET H H 1 8.486 0.020 . 1 . . . . A 19 MET H . 34217 1 190 . 1 1 19 19 MET HA H 1 4.210 0.020 . 1 . . . . A 19 MET HA . 34217 1 191 . 1 1 19 19 MET HB2 H 1 2.378 0.020 . 2 . . . . A 19 MET HB2 . 34217 1 192 . 1 1 19 19 MET HB3 H 1 2.250 0.020 . 2 . . . . A 19 MET HB3 . 34217 1 193 . 1 1 19 19 MET HG2 H 1 2.581 0.020 . 2 . . . . A 19 MET HG2 . 34217 1 194 . 1 1 19 19 MET HG3 H 1 2.325 0.020 . 2 . . . . A 19 MET HG3 . 34217 1 195 . 1 1 19 19 MET HE1 H 1 2.018 0.020 . 1 . . . . A 19 MET HE1 . 34217 1 196 . 1 1 19 19 MET HE2 H 1 2.018 0.020 . 1 . . . . A 19 MET HE2 . 34217 1 197 . 1 1 19 19 MET HE3 H 1 2.018 0.020 . 1 . . . . A 19 MET HE3 . 34217 1 198 . 1 1 19 19 MET C C 13 174.458 0.400 . 1 . . . . A 19 MET C . 34217 1 199 . 1 1 19 19 MET CA C 13 56.649 0.400 . 1 . . . . A 19 MET CA . 34217 1 200 . 1 1 19 19 MET CB C 13 28.428 0.400 . 1 . . . . A 19 MET CB . 34217 1 201 . 1 1 19 19 MET CG C 13 32.803 0.400 . 1 . . . . A 19 MET CG . 34217 1 202 . 1 1 19 19 MET CE C 13 16.622 0.400 . 1 . . . . A 19 MET CE . 34217 1 203 . 1 1 19 19 MET N N 15 118.366 0.400 . 1 . . . . A 19 MET N . 34217 1 204 . 1 1 20 20 ASP H H 1 8.578 0.020 . 1 . . . . A 20 ASP H . 34217 1 205 . 1 1 20 20 ASP HA H 1 5.140 0.020 . 1 . . . . A 20 ASP HA . 34217 1 206 . 1 1 20 20 ASP HB2 H 1 2.957 0.020 . 2 . . . . A 20 ASP HB2 . 34217 1 207 . 1 1 20 20 ASP HB3 H 1 2.926 0.020 . 2 . . . . A 20 ASP HB3 . 34217 1 208 . 1 1 20 20 ASP C C 13 176.167 0.400 . 1 . . . . A 20 ASP C . 34217 1 209 . 1 1 20 20 ASP CA C 13 52.710 0.400 . 1 . . . . A 20 ASP CA . 34217 1 210 . 1 1 20 20 ASP CB C 13 43.784 0.400 . 1 . . . . A 20 ASP CB . 34217 1 211 . 1 1 20 20 ASP N N 15 120.872 0.400 . 1 . . . . A 20 ASP N . 34217 1 212 . 1 1 21 21 GLU H H 1 8.654 0.020 . 1 . . . . A 21 GLU H . 34217 1 213 . 1 1 21 21 GLU HA H 1 4.386 0.020 . 1 . . . . A 21 GLU HA . 34217 1 214 . 1 1 21 21 GLU HB2 H 1 1.942 0.020 . 2 . . . . A 21 GLU HB2 . 34217 1 215 . 1 1 21 21 GLU HB3 H 1 1.942 0.020 . 2 . . . . A 21 GLU HB3 . 34217 1 216 . 1 1 21 21 GLU HG2 H 1 2.322 0.020 . 2 . . . . A 21 GLU HG2 . 34217 1 217 . 1 1 21 21 GLU HG3 H 1 2.239 0.020 . 2 . . . . A 21 GLU HG3 . 34217 1 218 . 1 1 21 21 GLU C C 13 177.171 0.400 . 1 . . . . A 21 GLU C . 34217 1 219 . 1 1 21 21 GLU CA C 13 57.029 0.400 . 1 . . . . A 21 GLU CA . 34217 1 220 . 1 1 21 21 GLU CB C 13 30.918 0.400 . 1 . . . . A 21 GLU CB . 34217 1 221 . 1 1 21 21 GLU CG C 13 36.625 0.400 . 1 . . . . A 21 GLU CG . 34217 1 222 . 1 1 21 21 GLU N N 15 119.556 0.400 . 1 . . . . A 21 GLU N . 34217 1 223 . 1 1 22 22 LEU H H 1 8.017 0.020 . 1 . . . . A 22 LEU H . 34217 1 224 . 1 1 22 22 LEU HA H 1 4.087 0.020 . 1 . . . . A 22 LEU HA . 34217 1 225 . 1 1 22 22 LEU HB2 H 1 1.464 0.020 . 2 . . . . A 22 LEU HB2 . 34217 1 226 . 1 1 22 22 LEU HB3 H 1 1.091 0.020 . 2 . . . . A 22 LEU HB3 . 34217 1 227 . 1 1 22 22 LEU HG H 1 1.136 0.020 . 1 . . . . A 22 LEU HG . 34217 1 228 . 1 1 22 22 LEU HD11 H 1 0.513 0.020 . 2 . . . . A 22 LEU HD11 . 34217 1 229 . 1 1 22 22 LEU HD12 H 1 0.513 0.020 . 2 . . . . A 22 LEU HD12 . 34217 1 230 . 1 1 22 22 LEU HD13 H 1 0.513 0.020 . 2 . . . . A 22 LEU HD13 . 34217 1 231 . 1 1 22 22 LEU HD21 H 1 0.218 0.020 . 2 . . . . A 22 LEU HD21 . 34217 1 232 . 1 1 22 22 LEU HD22 H 1 0.218 0.020 . 2 . . . . A 22 LEU HD22 . 34217 1 233 . 1 1 22 22 LEU HD23 H 1 0.218 0.020 . 2 . . . . A 22 LEU HD23 . 34217 1 234 . 1 1 22 22 LEU C C 13 175.655 0.400 . 1 . . . . A 22 LEU C . 34217 1 235 . 1 1 22 22 LEU CA C 13 55.518 0.400 . 1 . . . . A 22 LEU CA . 34217 1 236 . 1 1 22 22 LEU CB C 13 42.663 0.400 . 1 . . . . A 22 LEU CB . 34217 1 237 . 1 1 22 22 LEU CG C 13 27.060 0.400 . 1 . . . . A 22 LEU CG . 34217 1 238 . 1 1 22 22 LEU CD1 C 13 25.486 0.400 . 2 . . . . A 22 LEU CD1 . 34217 1 239 . 1 1 22 22 LEU CD2 C 13 23.894 0.400 . 2 . . . . A 22 LEU CD2 . 34217 1 240 . 1 1 22 22 LEU N N 15 124.268 0.400 . 1 . . . . A 22 LEU N . 34217 1 241 . 1 1 23 23 ILE H H 1 8.438 0.020 . 1 . . . . A 23 ILE H . 34217 1 242 . 1 1 23 23 ILE HA H 1 4.186 0.020 . 1 . . . . A 23 ILE HA . 34217 1 243 . 1 1 23 23 ILE HB H 1 1.875 0.020 . 1 . . . . A 23 ILE HB . 34217 1 244 . 1 1 23 23 ILE HG12 H 1 1.437 0.020 . 2 . . . . A 23 ILE HG12 . 34217 1 245 . 1 1 23 23 ILE HG13 H 1 1.437 0.020 . 2 . . . . A 23 ILE HG13 . 34217 1 246 . 1 1 23 23 ILE HG21 H 1 0.848 0.020 . 1 . . . . A 23 ILE HG21 . 34217 1 247 . 1 1 23 23 ILE HG22 H 1 0.848 0.020 . 1 . . . . A 23 ILE HG22 . 34217 1 248 . 1 1 23 23 ILE HG23 H 1 0.848 0.020 . 1 . . . . A 23 ILE HG23 . 34217 1 249 . 1 1 23 23 ILE HD11 H 1 0.814 0.020 . 1 . . . . A 23 ILE HD11 . 34217 1 250 . 1 1 23 23 ILE HD12 H 1 0.814 0.020 . 1 . . . . A 23 ILE HD12 . 34217 1 251 . 1 1 23 23 ILE HD13 H 1 0.814 0.020 . 1 . . . . A 23 ILE HD13 . 34217 1 252 . 1 1 23 23 ILE C C 13 175.684 0.400 . 1 . . . . A 23 ILE C . 34217 1 253 . 1 1 23 23 ILE CA C 13 60.173 0.400 . 1 . . . . A 23 ILE CA . 34217 1 254 . 1 1 23 23 ILE CB C 13 38.671 0.400 . 1 . . . . A 23 ILE CB . 34217 1 255 . 1 1 23 23 ILE CG1 C 13 27.103 0.400 . 1 . . . . A 23 ILE CG1 . 34217 1 256 . 1 1 23 23 ILE CG2 C 13 17.563 0.400 . 1 . . . . A 23 ILE CG2 . 34217 1 257 . 1 1 23 23 ILE CD1 C 13 12.418 0.400 . 1 . . . . A 23 ILE CD1 . 34217 1 258 . 1 1 23 23 ILE N N 15 121.061 0.400 . 1 . . . . A 23 ILE N . 34217 1 259 . 1 1 24 24 HIS H H 1 8.460 0.020 . 1 . . . . A 24 HIS H . 34217 1 260 . 1 1 24 24 HIS HA H 1 4.626 0.020 . 1 . . . . A 24 HIS HA . 34217 1 261 . 1 1 24 24 HIS HB2 H 1 3.079 0.020 . 2 . . . . A 24 HIS HB2 . 34217 1 262 . 1 1 24 24 HIS HB3 H 1 2.990 0.020 . 2 . . . . A 24 HIS HB3 . 34217 1 263 . 1 1 24 24 HIS HD2 H 1 7.011 0.020 . 1 . . . . A 24 HIS HD2 . 34217 1 264 . 1 1 24 24 HIS HE1 H 1 7.858 0.020 . 1 . . . . A 24 HIS HE1 . 34217 1 265 . 1 1 24 24 HIS C C 13 175.123 0.400 . 1 . . . . A 24 HIS C . 34217 1 266 . 1 1 24 24 HIS CA C 13 56.255 0.400 . 1 . . . . A 24 HIS CA . 34217 1 267 . 1 1 24 24 HIS CB C 13 31.158 0.400 . 1 . . . . A 24 HIS CB . 34217 1 268 . 1 1 24 24 HIS CD2 C 13 120.391 0.400 . 1 . . . . A 24 HIS CD2 . 34217 1 269 . 1 1 24 24 HIS CE1 C 13 137.870 0.400 . 1 . . . . A 24 HIS CE1 . 34217 1 270 . 1 1 24 24 HIS N N 15 124.796 0.400 . 1 . . . . A 24 HIS N . 34217 1 271 . 1 1 24 24 HIS NE2 N 15 180.844 0.400 . 1 . . . . A 24 HIS NE2 . 34217 1 272 . 1 1 25 25 SER H H 1 8.233 0.020 . 1 . . . . A 25 SER H . 34217 1 273 . 1 1 25 25 SER HA H 1 4.755 0.020 . 1 . . . . A 25 SER HA . 34217 1 274 . 1 1 25 25 SER HB2 H 1 3.848 0.020 . 2 . . . . A 25 SER HB2 . 34217 1 275 . 1 1 25 25 SER HB3 H 1 3.791 0.020 . 2 . . . . A 25 SER HB3 . 34217 1 276 . 1 1 25 25 SER C C 13 173.202 0.400 . 1 . . . . A 25 SER C . 34217 1 277 . 1 1 25 25 SER CA C 13 56.093 0.400 . 1 . . . . A 25 SER CA . 34217 1 278 . 1 1 25 25 SER CB C 13 63.654 0.400 . 1 . . . . A 25 SER CB . 34217 1 279 . 1 1 25 25 SER N N 15 117.655 0.400 . 1 . . . . A 25 SER N . 34217 1 280 . 1 1 26 26 PRO HA H 1 4.354 0.020 . 1 . . . . A 26 PRO HA . 34217 1 281 . 1 1 26 26 PRO HB2 H 1 2.218 0.020 . 2 . . . . A 26 PRO HB2 . 34217 1 282 . 1 1 26 26 PRO HB3 H 1 2.218 0.020 . 2 . . . . A 26 PRO HB3 . 34217 1 283 . 1 1 26 26 PRO HG2 H 1 1.919 0.020 . 2 . . . . A 26 PRO HG2 . 34217 1 284 . 1 1 26 26 PRO HG3 H 1 1.919 0.020 . 2 . . . . A 26 PRO HG3 . 34217 1 285 . 1 1 26 26 PRO HD2 H 1 3.710 0.020 . 2 . . . . A 26 PRO HD2 . 34217 1 286 . 1 1 26 26 PRO HD3 H 1 3.710 0.020 . 2 . . . . A 26 PRO HD3 . 34217 1 287 . 1 1 26 26 PRO CA C 13 63.991 0.400 . 1 . . . . A 26 PRO CA . 34217 1 288 . 1 1 26 26 PRO CB C 13 31.998 0.400 . 1 . . . . A 26 PRO CB . 34217 1 289 . 1 1 26 26 PRO CG C 13 27.351 0.400 . 1 . . . . A 26 PRO CG . 34217 1 290 . 1 1 26 26 PRO CD C 13 50.812 0.400 . 1 . . . . A 26 PRO CD . 34217 1 291 . 1 1 27 27 ASN HA H 1 4.637 0.020 . 1 . . . . A 27 ASN HA . 34217 1 292 . 1 1 27 27 ASN HB2 H 1 2.862 0.020 . 2 . . . . A 27 ASN HB2 . 34217 1 293 . 1 1 27 27 ASN HB3 H 1 2.784 0.020 . 2 . . . . A 27 ASN HB3 . 34217 1 294 . 1 1 27 27 ASN C C 13 175.258 0.400 . 1 . . . . A 27 ASN C . 34217 1 295 . 1 1 27 27 ASN CA C 13 53.597 0.400 . 1 . . . . A 27 ASN CA . 34217 1 296 . 1 1 27 27 ASN CB C 13 38.555 0.400 . 1 . . . . A 27 ASN CB . 34217 1 297 . 1 1 28 28 GLN H H 1 7.995 0.020 . 1 . . . . A 28 GLN H . 34217 1 298 . 1 1 28 28 GLN HA H 1 4.165 0.020 . 1 . . . . A 28 GLN HA . 34217 1 299 . 1 1 28 28 GLN HB2 H 1 2.082 0.020 . 2 . . . . A 28 GLN HB2 . 34217 1 300 . 1 1 28 28 GLN HB3 H 1 1.971 0.020 . 2 . . . . A 28 GLN HB3 . 34217 1 301 . 1 1 28 28 GLN HG2 H 1 2.262 0.020 . 2 . . . . A 28 GLN HG2 . 34217 1 302 . 1 1 28 28 GLN HG3 H 1 2.262 0.020 . 2 . . . . A 28 GLN HG3 . 34217 1 303 . 1 1 28 28 GLN C C 13 176.054 0.400 . 1 . . . . A 28 GLN C . 34217 1 304 . 1 1 28 28 GLN CA C 13 56.384 0.400 . 1 . . . . A 28 GLN CA . 34217 1 305 . 1 1 28 28 GLN CB C 13 29.141 0.400 . 1 . . . . A 28 GLN CB . 34217 1 306 . 1 1 28 28 GLN N N 15 119.500 0.400 . 1 . . . . A 28 GLN N . 34217 1 307 . 1 1 29 29 GLN HA H 1 4.245 0.020 . 1 . . . . A 29 GLN HA . 34217 1 308 . 1 1 29 29 GLN HG2 H 1 2.329 0.020 . 2 . . . . A 29 GLN HG2 . 34217 1 309 . 1 1 29 29 GLN HG3 H 1 2.329 0.020 . 2 . . . . A 29 GLN HG3 . 34217 1 310 . 1 1 29 29 GLN C C 13 176.341 0.400 . 1 . . . . A 29 GLN C . 34217 1 311 . 1 1 29 29 GLN CA C 13 56.485 0.400 . 1 . . . . A 29 GLN CA . 34217 1 312 . 1 1 29 29 GLN CB C 13 29.177 0.400 . 1 . . . . A 29 GLN CB . 34217 1 313 . 1 1 29 29 GLN CG C 13 33.875 0.400 . 1 . . . . A 29 GLN CG . 34217 1 314 . 1 1 30 30 THR H H 1 7.862 0.020 . 1 . . . . A 30 THR H . 34217 1 315 . 1 1 30 30 THR HA H 1 4.297 0.020 . 1 . . . . A 30 THR HA . 34217 1 316 . 1 1 30 30 THR HB H 1 4.158 0.020 . 1 . . . . A 30 THR HB . 34217 1 317 . 1 1 30 30 THR HG21 H 1 1.116 0.020 . 1 . . . . A 30 THR HG21 . 34217 1 318 . 1 1 30 30 THR HG22 H 1 1.116 0.020 . 1 . . . . A 30 THR HG22 . 34217 1 319 . 1 1 30 30 THR HG23 H 1 1.116 0.020 . 1 . . . . A 30 THR HG23 . 34217 1 320 . 1 1 30 30 THR C C 13 174.488 0.400 . 1 . . . . A 30 THR C . 34217 1 321 . 1 1 30 30 THR CA C 13 62.026 0.400 . 1 . . . . A 30 THR CA . 34217 1 322 . 1 1 30 30 THR CB C 13 69.962 0.400 . 1 . . . . A 30 THR CB . 34217 1 323 . 1 1 30 30 THR CG2 C 13 21.599 0.400 . 1 . . . . A 30 THR CG2 . 34217 1 324 . 1 1 30 30 THR N N 15 113.301 0.400 . 1 . . . . A 30 THR N . 34217 1 325 . 1 1 31 31 TRP H H 1 8.075 0.020 . 1 . . . . A 31 TRP H . 34217 1 326 . 1 1 31 31 TRP HA H 1 4.597 0.020 . 1 . . . . A 31 TRP HA . 34217 1 327 . 1 1 31 31 TRP HB2 H 1 3.257 0.020 . 2 . . . . A 31 TRP HB2 . 34217 1 328 . 1 1 31 31 TRP HB3 H 1 3.257 0.020 . 2 . . . . A 31 TRP HB3 . 34217 1 329 . 1 1 31 31 TRP HD1 H 1 7.264 0.020 . 1 . . . . A 31 TRP HD1 . 34217 1 330 . 1 1 31 31 TRP HE1 H 1 10.152 0.020 . 1 . . . . A 31 TRP HE1 . 34217 1 331 . 1 1 31 31 TRP HE3 H 1 7.599 0.020 . 1 . . . . A 31 TRP HE3 . 34217 1 332 . 1 1 31 31 TRP HZ2 H 1 7.490 0.020 . 1 . . . . A 31 TRP HZ2 . 34217 1 333 . 1 1 31 31 TRP HZ3 H 1 7.120 0.020 . 1 . . . . A 31 TRP HZ3 . 34217 1 334 . 1 1 31 31 TRP HH2 H 1 7.243 0.020 . 1 . . . . A 31 TRP HH2 . 34217 1 335 . 1 1 31 31 TRP C C 13 176.470 0.400 . 1 . . . . A 31 TRP C . 34217 1 336 . 1 1 31 31 TRP CA C 13 57.633 0.400 . 1 . . . . A 31 TRP CA . 34217 1 337 . 1 1 31 31 TRP CB C 13 29.457 0.400 . 1 . . . . A 31 TRP CB . 34217 1 338 . 1 1 31 31 TRP CD1 C 13 127.112 0.400 . 1 . . . . A 31 TRP CD1 . 34217 1 339 . 1 1 31 31 TRP CE3 C 13 120.936 0.400 . 1 . . . . A 31 TRP CE3 . 34217 1 340 . 1 1 31 31 TRP CZ2 C 13 114.736 0.400 . 1 . . . . A 31 TRP CZ2 . 34217 1 341 . 1 1 31 31 TRP CZ3 C 13 122.169 0.400 . 1 . . . . A 31 TRP CZ3 . 34217 1 342 . 1 1 31 31 TRP CH2 C 13 124.824 0.400 . 1 . . . . A 31 TRP CH2 . 34217 1 343 . 1 1 31 31 TRP N N 15 122.738 0.400 . 1 . . . . A 31 TRP N . 34217 1 344 . 1 1 31 31 TRP NE1 N 15 129.508 0.400 . 1 . . . . A 31 TRP NE1 . 34217 1 345 . 1 1 34 34 LYS HA H 1 4.139 0.020 . 1 . . . . A 34 LYS HA . 34217 1 346 . 1 1 34 34 LYS HB2 H 1 1.821 0.020 . 2 . . . . A 34 LYS HB2 . 34217 1 347 . 1 1 34 34 LYS HB3 H 1 1.821 0.020 . 2 . . . . A 34 LYS HB3 . 34217 1 348 . 1 1 34 34 LYS HG2 H 1 1.405 0.020 . 2 . . . . A 34 LYS HG2 . 34217 1 349 . 1 1 34 34 LYS HG3 H 1 1.405 0.020 . 2 . . . . A 34 LYS HG3 . 34217 1 350 . 1 1 34 34 LYS HD2 H 1 1.635 0.020 . 2 . . . . A 34 LYS HD2 . 34217 1 351 . 1 1 34 34 LYS HD3 H 1 1.635 0.020 . 2 . . . . A 34 LYS HD3 . 34217 1 352 . 1 1 34 34 LYS HE2 H 1 2.965 0.020 . 2 . . . . A 34 LYS HE2 . 34217 1 353 . 1 1 34 34 LYS HE3 H 1 2.965 0.020 . 2 . . . . A 34 LYS HE3 . 34217 1 354 . 1 1 34 34 LYS C C 13 176.793 0.400 . 1 . . . . A 34 LYS C . 34217 1 355 . 1 1 34 34 LYS CA C 13 57.713 0.400 . 1 . . . . A 34 LYS CA . 34217 1 356 . 1 1 34 34 LYS CB C 13 32.526 0.400 . 1 . . . . A 34 LYS CB . 34217 1 357 . 1 1 34 34 LYS CG C 13 24.771 0.400 . 1 . . . . A 34 LYS CG . 34217 1 358 . 1 1 34 34 LYS CD C 13 29.203 0.400 . 1 . . . . A 34 LYS CD . 34217 1 359 . 1 1 34 34 LYS CE C 13 42.172 0.400 . 1 . . . . A 34 LYS CE . 34217 1 360 . 1 1 35 35 ASN H H 1 8.333 0.020 . 1 . . . . A 35 ASN H . 34217 1 361 . 1 1 35 35 ASN HA H 1 4.635 0.020 . 1 . . . . A 35 ASN HA . 34217 1 362 . 1 1 35 35 ASN HB2 H 1 2.863 0.020 . 2 . . . . A 35 ASN HB2 . 34217 1 363 . 1 1 35 35 ASN HB3 H 1 2.777 0.020 . 2 . . . . A 35 ASN HB3 . 34217 1 364 . 1 1 35 35 ASN C C 13 175.501 0.400 . 1 . . . . A 35 ASN C . 34217 1 365 . 1 1 35 35 ASN CA C 13 54.200 0.400 . 1 . . . . A 35 ASN CA . 34217 1 366 . 1 1 35 35 ASN CB C 13 38.494 0.400 . 1 . . . . A 35 ASN CB . 34217 1 367 . 1 1 35 35 ASN N N 15 117.169 0.400 . 1 . . . . A 35 ASN N . 34217 1 368 . 1 1 36 36 LYS H H 1 7.874 0.020 . 1 . . . . A 36 LYS H . 34217 1 369 . 1 1 36 36 LYS HA H 1 4.412 0.020 . 1 . . . . A 36 LYS HA . 34217 1 370 . 1 1 36 36 LYS HB2 H 1 1.804 0.020 . 2 . . . . A 36 LYS HB2 . 34217 1 371 . 1 1 36 36 LYS HB3 H 1 1.577 0.020 . 2 . . . . A 36 LYS HB3 . 34217 1 372 . 1 1 36 36 LYS HG2 H 1 1.286 0.020 . 2 . . . . A 36 LYS HG2 . 34217 1 373 . 1 1 36 36 LYS HG3 H 1 1.215 0.020 . 2 . . . . A 36 LYS HG3 . 34217 1 374 . 1 1 36 36 LYS HD2 H 1 1.218 0.020 . 2 . . . . A 36 LYS HD2 . 34217 1 375 . 1 1 36 36 LYS HD3 H 1 1.091 0.020 . 2 . . . . A 36 LYS HD3 . 34217 1 376 . 1 1 36 36 LYS HE2 H 1 2.676 0.020 . 2 . . . . A 36 LYS HE2 . 34217 1 377 . 1 1 36 36 LYS HE3 H 1 2.607 0.020 . 2 . . . . A 36 LYS HE3 . 34217 1 378 . 1 1 36 36 LYS C C 13 175.705 0.400 . 1 . . . . A 36 LYS C . 34217 1 379 . 1 1 36 36 LYS CA C 13 55.414 0.400 . 1 . . . . A 36 LYS CA . 34217 1 380 . 1 1 36 36 LYS CB C 13 32.722 0.400 . 1 . . . . A 36 LYS CB . 34217 1 381 . 1 1 36 36 LYS CG C 13 25.148 0.400 . 1 . . . . A 36 LYS CG . 34217 1 382 . 1 1 36 36 LYS CD C 13 28.844 0.400 . 1 . . . . A 36 LYS CD . 34217 1 383 . 1 1 36 36 LYS CE C 13 42.012 0.400 . 1 . . . . A 36 LYS CE . 34217 1 384 . 1 1 36 36 LYS N N 15 119.516 0.400 . 1 . . . . A 36 LYS N . 34217 1 385 . 1 1 37 37 LYS H H 1 7.894 0.020 . 1 . . . . A 37 LYS H . 34217 1 386 . 1 1 37 37 LYS HA H 1 4.352 0.020 . 1 . . . . A 37 LYS HA . 34217 1 387 . 1 1 37 37 LYS HB2 H 1 1.798 0.020 . 2 . . . . A 37 LYS HB2 . 34217 1 388 . 1 1 37 37 LYS HB3 H 1 1.719 0.020 . 2 . . . . A 37 LYS HB3 . 34217 1 389 . 1 1 37 37 LYS C C 13 174.476 0.400 . 1 . . . . A 37 LYS C . 34217 1 390 . 1 1 37 37 LYS CA C 13 54.677 0.400 . 1 . . . . A 37 LYS CA . 34217 1 391 . 1 1 37 37 LYS CB C 13 33.515 0.400 . 1 . . . . A 37 LYS CB . 34217 1 392 . 1 1 37 37 LYS N N 15 123.133 0.400 . 1 . . . . A 37 LYS N . 34217 1 393 . 1 1 38 38 PRO HA H 1 4.454 0.020 . 1 . . . . A 38 PRO HA . 34217 1 394 . 1 1 38 38 PRO HB2 H 1 1.845 0.020 . 2 . . . . A 38 PRO HB2 . 34217 1 395 . 1 1 38 38 PRO HB3 H 1 1.766 0.020 . 2 . . . . A 38 PRO HB3 . 34217 1 396 . 1 1 38 38 PRO HG2 H 1 1.915 0.020 . 2 . . . . A 38 PRO HG2 . 34217 1 397 . 1 1 38 38 PRO HG3 H 1 1.732 0.020 . 2 . . . . A 38 PRO HG3 . 34217 1 398 . 1 1 38 38 PRO HD2 H 1 3.936 0.020 . 2 . . . . A 38 PRO HD2 . 34217 1 399 . 1 1 38 38 PRO HD3 H 1 3.526 0.020 . 2 . . . . A 38 PRO HD3 . 34217 1 400 . 1 1 38 38 PRO C C 13 175.554 0.400 . 1 . . . . A 38 PRO C . 34217 1 401 . 1 1 38 38 PRO CA C 13 62.821 0.400 . 1 . . . . A 38 PRO CA . 34217 1 402 . 1 1 38 38 PRO CB C 13 32.871 0.400 . 1 . . . . A 38 PRO CB . 34217 1 403 . 1 1 38 38 PRO CG C 13 27.577 0.400 . 1 . . . . A 38 PRO CG . 34217 1 404 . 1 1 38 38 PRO CD C 13 50.950 0.400 . 1 . . . . A 38 PRO CD . 34217 1 405 . 1 1 39 39 LYS H H 1 9.049 0.020 . 1 . . . . A 39 LYS H . 34217 1 406 . 1 1 39 39 LYS HA H 1 4.546 0.020 . 1 . . . . A 39 LYS HA . 34217 1 407 . 1 1 39 39 LYS HB2 H 1 1.762 0.020 . 2 . . . . A 39 LYS HB2 . 34217 1 408 . 1 1 39 39 LYS HB3 H 1 1.566 0.020 . 2 . . . . A 39 LYS HB3 . 34217 1 409 . 1 1 39 39 LYS HG2 H 1 1.253 0.020 . 2 . . . . A 39 LYS HG2 . 34217 1 410 . 1 1 39 39 LYS HG3 H 1 1.265 0.020 . 2 . . . . A 39 LYS HG3 . 34217 1 411 . 1 1 39 39 LYS HD2 H 1 1.799 0.020 . 2 . . . . A 39 LYS HD2 . 34217 1 412 . 1 1 39 39 LYS HD3 H 1 1.615 0.020 . 2 . . . . A 39 LYS HD3 . 34217 1 413 . 1 1 39 39 LYS HE2 H 1 2.923 0.020 . 2 . . . . A 39 LYS HE2 . 34217 1 414 . 1 1 39 39 LYS HE3 H 1 2.923 0.020 . 2 . . . . A 39 LYS HE3 . 34217 1 415 . 1 1 39 39 LYS C C 13 172.906 0.400 . 1 . . . . A 39 LYS C . 34217 1 416 . 1 1 39 39 LYS CA C 13 54.623 0.400 . 1 . . . . A 39 LYS CA . 34217 1 417 . 1 1 39 39 LYS CB C 13 34.932 0.400 . 1 . . . . A 39 LYS CB . 34217 1 418 . 1 1 39 39 LYS CG C 13 25.071 0.400 . 1 . . . . A 39 LYS CG . 34217 1 419 . 1 1 39 39 LYS CD C 13 28.768 0.400 . 1 . . . . A 39 LYS CD . 34217 1 420 . 1 1 39 39 LYS CE C 13 42.412 0.400 . 1 . . . . A 39 LYS CE . 34217 1 421 . 1 1 39 39 LYS N N 15 123.874 0.400 . 1 . . . . A 39 LYS N . 34217 1 422 . 1 1 40 40 ARG H H 1 8.562 0.020 . 1 . . . . A 40 ARG H . 34217 1 423 . 1 1 40 40 ARG HA H 1 4.630 0.020 . 1 . . . . A 40 ARG HA . 34217 1 424 . 1 1 40 40 ARG HB2 H 1 1.761 0.020 . 2 . . . . A 40 ARG HB2 . 34217 1 425 . 1 1 40 40 ARG HB3 H 1 1.567 0.020 . 2 . . . . A 40 ARG HB3 . 34217 1 426 . 1 1 40 40 ARG HG2 H 1 1.740 0.020 . 2 . . . . A 40 ARG HG2 . 34217 1 427 . 1 1 40 40 ARG HG3 H 1 1.361 0.020 . 2 . . . . A 40 ARG HG3 . 34217 1 428 . 1 1 40 40 ARG HD2 H 1 3.155 0.020 . 2 . . . . A 40 ARG HD2 . 34217 1 429 . 1 1 40 40 ARG HD3 H 1 3.123 0.020 . 2 . . . . A 40 ARG HD3 . 34217 1 430 . 1 1 40 40 ARG C C 13 176.277 0.400 . 1 . . . . A 40 ARG C . 34217 1 431 . 1 1 40 40 ARG CA C 13 55.276 0.400 . 1 . . . . A 40 ARG CA . 34217 1 432 . 1 1 40 40 ARG CB C 13 31.186 0.400 . 1 . . . . A 40 ARG CB . 34217 1 433 . 1 1 40 40 ARG CG C 13 27.270 0.400 . 1 . . . . A 40 ARG CG . 34217 1 434 . 1 1 40 40 ARG CD C 13 43.545 0.400 . 1 . . . . A 40 ARG CD . 34217 1 435 . 1 1 40 40 ARG N N 15 126.980 0.400 . 1 . . . . A 40 ARG N . 34217 1 436 . 1 1 41 41 LEU H H 1 9.049 0.020 . 1 . . . . A 41 LEU H . 34217 1 437 . 1 1 41 41 LEU HA H 1 4.588 0.020 . 1 . . . . A 41 LEU HA . 34217 1 438 . 1 1 41 41 LEU HB2 H 1 2.271 0.020 . 2 . . . . A 41 LEU HB2 . 34217 1 439 . 1 1 41 41 LEU HB3 H 1 1.882 0.020 . 2 . . . . A 41 LEU HB3 . 34217 1 440 . 1 1 41 41 LEU HG H 1 1.785 0.020 . 1 . . . . A 41 LEU HG . 34217 1 441 . 1 1 41 41 LEU HD11 H 1 1.010 0.020 . 2 . . . . A 41 LEU HD11 . 34217 1 442 . 1 1 41 41 LEU HD12 H 1 1.010 0.020 . 2 . . . . A 41 LEU HD12 . 34217 1 443 . 1 1 41 41 LEU HD13 H 1 1.010 0.020 . 2 . . . . A 41 LEU HD13 . 34217 1 444 . 1 1 41 41 LEU HD21 H 1 0.942 0.020 . 2 . . . . A 41 LEU HD21 . 34217 1 445 . 1 1 41 41 LEU HD22 H 1 0.942 0.020 . 2 . . . . A 41 LEU HD22 . 34217 1 446 . 1 1 41 41 LEU HD23 H 1 0.942 0.020 . 2 . . . . A 41 LEU HD23 . 34217 1 447 . 1 1 41 41 LEU C C 13 177.340 0.400 . 1 . . . . A 41 LEU C . 34217 1 448 . 1 1 41 41 LEU CA C 13 54.377 0.400 . 1 . . . . A 41 LEU CA . 34217 1 449 . 1 1 41 41 LEU CB C 13 42.370 0.400 . 1 . . . . A 41 LEU CB . 34217 1 450 . 1 1 41 41 LEU CD1 C 13 25.462 0.400 . 2 . . . . A 41 LEU CD1 . 34217 1 451 . 1 1 41 41 LEU CD2 C 13 23.797 0.400 . 2 . . . . A 41 LEU CD2 . 34217 1 452 . 1 1 41 41 LEU N N 15 129.431 0.400 . 1 . . . . A 41 LEU N . 34217 1 453 . 1 1 42 42 PRO HA H 1 4.271 0.020 . 1 . . . . A 42 PRO HA . 34217 1 454 . 1 1 42 42 PRO HB2 H 1 2.398 0.020 . 2 . . . . A 42 PRO HB2 . 34217 1 455 . 1 1 42 42 PRO HB3 H 1 1.957 0.020 . 2 . . . . A 42 PRO HB3 . 34217 1 456 . 1 1 42 42 PRO HG2 H 1 2.147 0.020 . 2 . . . . A 42 PRO HG2 . 34217 1 457 . 1 1 42 42 PRO HG3 H 1 2.002 0.020 . 2 . . . . A 42 PRO HG3 . 34217 1 458 . 1 1 42 42 PRO HD2 H 1 3.860 0.020 . 2 . . . . A 42 PRO HD2 . 34217 1 459 . 1 1 42 42 PRO HD3 H 1 3.860 0.020 . 2 . . . . A 42 PRO HD3 . 34217 1 460 . 1 1 42 42 PRO C C 13 176.811 0.400 . 1 . . . . A 42 PRO C . 34217 1 461 . 1 1 42 42 PRO CA C 13 65.811 0.400 . 1 . . . . A 42 PRO CA . 34217 1 462 . 1 1 42 42 PRO CB C 13 31.664 0.400 . 1 . . . . A 42 PRO CB . 34217 1 463 . 1 1 42 42 PRO CG C 13 28.083 0.400 . 1 . . . . A 42 PRO CG . 34217 1 464 . 1 1 42 42 PRO CD C 13 50.637 0.400 . 1 . . . . A 42 PRO CD . 34217 1 465 . 1 1 43 43 CYS H H 1 7.477 0.020 . 1 . . . . A 43 CYS H . 34217 1 466 . 1 1 43 43 CYS HA H 1 4.373 0.020 . 1 . . . . A 43 CYS HA . 34217 1 467 . 1 1 43 43 CYS HB2 H 1 3.082 0.020 . 2 . . . . A 43 CYS HB2 . 34217 1 468 . 1 1 43 43 CYS HB3 H 1 2.776 0.020 . 2 . . . . A 43 CYS HB3 . 34217 1 469 . 1 1 43 43 CYS C C 13 176.022 0.400 . 1 . . . . A 43 CYS C . 34217 1 470 . 1 1 43 43 CYS CA C 13 57.653 0.400 . 1 . . . . A 43 CYS CA . 34217 1 471 . 1 1 43 43 CYS CB C 13 31.835 0.400 . 1 . . . . A 43 CYS CB . 34217 1 472 . 1 1 43 43 CYS N N 15 112.274 0.400 . 1 . . . . A 43 CYS N . 34217 1 473 . 1 1 44 44 GLY H H 1 8.234 0.020 . 1 . . . . A 44 GLY H . 34217 1 474 . 1 1 44 44 GLY HA2 H 1 4.248 0.020 . 2 . . . . A 44 GLY HA2 . 34217 1 475 . 1 1 44 44 GLY HA3 H 1 3.369 0.020 . 2 . . . . A 44 GLY HA3 . 34217 1 476 . 1 1 44 44 GLY C C 13 174.150 0.400 . 1 . . . . A 44 GLY C . 34217 1 477 . 1 1 44 44 GLY CA C 13 44.800 0.400 . 1 . . . . A 44 GLY CA . 34217 1 478 . 1 1 44 44 GLY N N 15 111.424 0.400 . 1 . . . . A 44 GLY N . 34217 1 479 . 1 1 45 45 HIS H H 1 8.055 0.020 . 1 . . . . A 45 HIS H . 34217 1 480 . 1 1 45 45 HIS HA H 1 4.641 0.020 . 1 . . . . A 45 HIS HA . 34217 1 481 . 1 1 45 45 HIS HB2 H 1 3.236 0.020 . 2 . . . . A 45 HIS HB2 . 34217 1 482 . 1 1 45 45 HIS HB3 H 1 2.965 0.020 . 2 . . . . A 45 HIS HB3 . 34217 1 483 . 1 1 45 45 HIS HD2 H 1 7.385 0.020 . 1 . . . . A 45 HIS HD2 . 34217 1 484 . 1 1 45 45 HIS HE1 H 1 7.750 0.020 . 1 . . . . A 45 HIS HE1 . 34217 1 485 . 1 1 45 45 HIS C C 13 173.148 0.400 . 1 . . . . A 45 HIS C . 34217 1 486 . 1 1 45 45 HIS CA C 13 60.348 0.400 . 1 . . . . A 45 HIS CA . 34217 1 487 . 1 1 45 45 HIS CB C 13 31.087 0.400 . 1 . . . . A 45 HIS CB . 34217 1 488 . 1 1 45 45 HIS CD2 C 13 119.151 0.400 . 1 . . . . A 45 HIS CD2 . 34217 1 489 . 1 1 45 45 HIS CE1 C 13 137.935 0.400 . 1 . . . . A 45 HIS CE1 . 34217 1 490 . 1 1 45 45 HIS N N 15 122.233 0.400 . 1 . . . . A 45 HIS N . 34217 1 491 . 1 1 45 45 HIS ND1 N 15 220.003 0.400 . 1 . . . . A 45 HIS ND1 . 34217 1 492 . 1 1 45 45 HIS NE2 N 15 170.274 0.400 . 1 . . . . A 45 HIS NE2 . 34217 1 493 . 1 1 46 46 ILE H H 1 8.603 0.020 . 1 . . . . A 46 ILE H . 34217 1 494 . 1 1 46 46 ILE HA H 1 4.975 0.020 . 1 . . . . A 46 ILE HA . 34217 1 495 . 1 1 46 46 ILE HB H 1 1.568 0.020 . 1 . . . . A 46 ILE HB . 34217 1 496 . 1 1 46 46 ILE HG12 H 1 1.656 0.020 . 2 . . . . A 46 ILE HG12 . 34217 1 497 . 1 1 46 46 ILE HG13 H 1 0.702 0.020 . 2 . . . . A 46 ILE HG13 . 34217 1 498 . 1 1 46 46 ILE HG21 H 1 0.751 0.020 . 1 . . . . A 46 ILE HG21 . 34217 1 499 . 1 1 46 46 ILE HG22 H 1 0.751 0.020 . 1 . . . . A 46 ILE HG22 . 34217 1 500 . 1 1 46 46 ILE HG23 H 1 0.751 0.020 . 1 . . . . A 46 ILE HG23 . 34217 1 501 . 1 1 46 46 ILE HD11 H 1 0.832 0.020 . 1 . . . . A 46 ILE HD11 . 34217 1 502 . 1 1 46 46 ILE HD12 H 1 0.832 0.020 . 1 . . . . A 46 ILE HD12 . 34217 1 503 . 1 1 46 46 ILE HD13 H 1 0.832 0.020 . 1 . . . . A 46 ILE HD13 . 34217 1 504 . 1 1 46 46 ILE C C 13 173.681 0.400 . 1 . . . . A 46 ILE C . 34217 1 505 . 1 1 46 46 ILE CA C 13 60.480 0.400 . 1 . . . . A 46 ILE CA . 34217 1 506 . 1 1 46 46 ILE CB C 13 40.593 0.400 . 1 . . . . A 46 ILE CB . 34217 1 507 . 1 1 46 46 ILE CG1 C 13 27.775 0.400 . 1 . . . . A 46 ILE CG1 . 34217 1 508 . 1 1 46 46 ILE CG2 C 13 18.798 0.400 . 1 . . . . A 46 ILE CG2 . 34217 1 509 . 1 1 46 46 ILE CD1 C 13 13.917 0.400 . 1 . . . . A 46 ILE CD1 . 34217 1 510 . 1 1 46 46 ILE N N 15 120.125 0.400 . 1 . . . . A 46 ILE N . 34217 1 511 . 1 1 47 47 LEU H H 1 8.086 0.020 . 1 . . . . A 47 LEU H . 34217 1 512 . 1 1 47 47 LEU HA H 1 4.884 0.020 . 1 . . . . A 47 LEU HA . 34217 1 513 . 1 1 47 47 LEU HB2 H 1 1.853 0.020 . 2 . . . . A 47 LEU HB2 . 34217 1 514 . 1 1 47 47 LEU HB3 H 1 1.513 0.020 . 2 . . . . A 47 LEU HB3 . 34217 1 515 . 1 1 47 47 LEU HG H 1 1.731 0.020 . 1 . . . . A 47 LEU HG . 34217 1 516 . 1 1 47 47 LEU HD11 H 1 0.834 0.020 . 2 . . . . A 47 LEU HD11 . 34217 1 517 . 1 1 47 47 LEU HD12 H 1 0.834 0.020 . 2 . . . . A 47 LEU HD12 . 34217 1 518 . 1 1 47 47 LEU HD13 H 1 0.834 0.020 . 2 . . . . A 47 LEU HD13 . 34217 1 519 . 1 1 47 47 LEU HD21 H 1 0.923 0.020 . 2 . . . . A 47 LEU HD21 . 34217 1 520 . 1 1 47 47 LEU HD22 H 1 0.923 0.020 . 2 . . . . A 47 LEU HD22 . 34217 1 521 . 1 1 47 47 LEU HD23 H 1 0.923 0.020 . 2 . . . . A 47 LEU HD23 . 34217 1 522 . 1 1 47 47 LEU C C 13 176.898 0.400 . 1 . . . . A 47 LEU C . 34217 1 523 . 1 1 47 47 LEU CA C 13 53.005 0.400 . 1 . . . . A 47 LEU CA . 34217 1 524 . 1 1 47 47 LEU CB C 13 46.884 0.400 . 1 . . . . A 47 LEU CB . 34217 1 525 . 1 1 47 47 LEU CG C 13 28.058 0.400 . 1 . . . . A 47 LEU CG . 34217 1 526 . 1 1 47 47 LEU CD1 C 13 25.946 0.400 . 2 . . . . A 47 LEU CD1 . 34217 1 527 . 1 1 47 47 LEU CD2 C 13 25.667 0.400 . 2 . . . . A 47 LEU CD2 . 34217 1 528 . 1 1 47 47 LEU N N 15 123.431 0.400 . 1 . . . . A 47 LEU N . 34217 1 529 . 1 1 48 48 HIS H H 1 7.978 0.020 . 1 . . . . A 48 HIS H . 34217 1 530 . 1 1 48 48 HIS HA H 1 4.557 0.020 . 1 . . . . A 48 HIS HA . 34217 1 531 . 1 1 48 48 HIS HB2 H 1 3.897 0.020 . 2 . . . . A 48 HIS HB2 . 34217 1 532 . 1 1 48 48 HIS HB3 H 1 3.452 0.020 . 2 . . . . A 48 HIS HB3 . 34217 1 533 . 1 1 48 48 HIS HD2 H 1 7.312 0.020 . 1 . . . . A 48 HIS HD2 . 34217 1 534 . 1 1 48 48 HIS HE1 H 1 7.326 0.020 . 1 . . . . A 48 HIS HE1 . 34217 1 535 . 1 1 48 48 HIS C C 13 176.881 0.400 . 1 . . . . A 48 HIS C . 34217 1 536 . 1 1 48 48 HIS CA C 13 59.296 0.400 . 1 . . . . A 48 HIS CA . 34217 1 537 . 1 1 48 48 HIS CB C 13 31.773 0.400 . 1 . . . . A 48 HIS CB . 34217 1 538 . 1 1 48 48 HIS CD2 C 13 118.348 0.400 . 1 . . . . A 48 HIS CD2 . 34217 1 539 . 1 1 48 48 HIS CE1 C 13 138.506 0.400 . 1 . . . . A 48 HIS CE1 . 34217 1 540 . 1 1 48 48 HIS N N 15 118.086 0.400 . 1 . . . . A 48 HIS N . 34217 1 541 . 1 1 48 48 HIS ND1 N 15 227.770 0.400 . 1 . . . . A 48 HIS ND1 . 34217 1 542 . 1 1 48 48 HIS NE2 N 15 169.739 0.400 . 1 . . . . A 48 HIS NE2 . 34217 1 543 . 1 1 49 49 LEU H H 1 9.058 0.020 . 1 . . . . A 49 LEU H . 34217 1 544 . 1 1 49 49 LEU HA H 1 3.989 0.020 . 1 . . . . A 49 LEU HA . 34217 1 545 . 1 1 49 49 LEU HB2 H 1 2.009 0.020 . 2 . . . . A 49 LEU HB2 . 34217 1 546 . 1 1 49 49 LEU HB3 H 1 1.661 0.020 . 2 . . . . A 49 LEU HB3 . 34217 1 547 . 1 1 49 49 LEU HG H 1 1.627 0.020 . 1 . . . . A 49 LEU HG . 34217 1 548 . 1 1 49 49 LEU HD11 H 1 0.970 0.020 . 2 . . . . A 49 LEU HD11 . 34217 1 549 . 1 1 49 49 LEU HD12 H 1 0.970 0.020 . 2 . . . . A 49 LEU HD12 . 34217 1 550 . 1 1 49 49 LEU HD13 H 1 0.970 0.020 . 2 . . . . A 49 LEU HD13 . 34217 1 551 . 1 1 49 49 LEU HD21 H 1 0.980 0.020 . 2 . . . . A 49 LEU HD21 . 34217 1 552 . 1 1 49 49 LEU HD22 H 1 0.980 0.020 . 2 . . . . A 49 LEU HD22 . 34217 1 553 . 1 1 49 49 LEU HD23 H 1 0.980 0.020 . 2 . . . . A 49 LEU HD23 . 34217 1 554 . 1 1 49 49 LEU C C 13 178.895 0.400 . 1 . . . . A 49 LEU C . 34217 1 555 . 1 1 49 49 LEU CA C 13 59.524 0.400 . 1 . . . . A 49 LEU CA . 34217 1 556 . 1 1 49 49 LEU CB C 13 41.895 0.400 . 1 . . . . A 49 LEU CB . 34217 1 557 . 1 1 49 49 LEU CG C 13 27.227 0.400 . 1 . . . . A 49 LEU CG . 34217 1 558 . 1 1 49 49 LEU CD1 C 13 25.587 0.400 . 2 . . . . A 49 LEU CD1 . 34217 1 559 . 1 1 49 49 LEU CD2 C 13 24.117 0.400 . 2 . . . . A 49 LEU CD2 . 34217 1 560 . 1 1 49 49 LEU N N 15 125.273 0.400 . 1 . . . . A 49 LEU N . 34217 1 561 . 1 1 50 50 SER H H 1 8.883 0.020 . 1 . . . . A 50 SER H . 34217 1 562 . 1 1 50 50 SER HA H 1 4.106 0.020 . 1 . . . . A 50 SER HA . 34217 1 563 . 1 1 50 50 SER HB2 H 1 3.969 0.020 . 2 . . . . A 50 SER HB2 . 34217 1 564 . 1 1 50 50 SER HB3 H 1 3.907 0.020 . 2 . . . . A 50 SER HB3 . 34217 1 565 . 1 1 50 50 SER C C 13 177.447 0.400 . 1 . . . . A 50 SER C . 34217 1 566 . 1 1 50 50 SER CA C 13 61.226 0.400 . 1 . . . . A 50 SER CA . 34217 1 567 . 1 1 50 50 SER CB C 13 61.908 0.400 . 1 . . . . A 50 SER CB . 34217 1 568 . 1 1 50 50 SER N N 15 112.956 0.400 . 1 . . . . A 50 SER N . 34217 1 569 . 1 1 51 51 CYS H H 1 6.839 0.020 . 1 . . . . A 51 CYS H . 34217 1 570 . 1 1 51 51 CYS HA H 1 4.148 0.020 . 1 . . . . A 51 CYS HA . 34217 1 571 . 1 1 51 51 CYS HB2 H 1 3.026 0.020 . 2 . . . . A 51 CYS HB2 . 34217 1 572 . 1 1 51 51 CYS HB3 H 1 2.899 0.020 . 2 . . . . A 51 CYS HB3 . 34217 1 573 . 1 1 51 51 CYS C C 13 177.227 0.400 . 1 . . . . A 51 CYS C . 34217 1 574 . 1 1 51 51 CYS CA C 13 63.432 0.400 . 1 . . . . A 51 CYS CA . 34217 1 575 . 1 1 51 51 CYS CB C 13 28.760 0.400 . 1 . . . . A 51 CYS CB . 34217 1 576 . 1 1 51 51 CYS N N 15 123.238 0.400 . 1 . . . . A 51 CYS N . 34217 1 577 . 1 1 52 52 LEU H H 1 8.538 0.020 . 1 . . . . A 52 LEU H . 34217 1 578 . 1 1 52 52 LEU HA H 1 4.133 0.020 . 1 . . . . A 52 LEU HA . 34217 1 579 . 1 1 52 52 LEU HB2 H 1 2.149 0.020 . 2 . . . . A 52 LEU HB2 . 34217 1 580 . 1 1 52 52 LEU HB3 H 1 1.565 0.020 . 2 . . . . A 52 LEU HB3 . 34217 1 581 . 1 1 52 52 LEU HG H 1 1.716 0.020 . 1 . . . . A 52 LEU HG . 34217 1 582 . 1 1 52 52 LEU HD11 H 1 0.940 0.020 . 2 . . . . A 52 LEU HD11 . 34217 1 583 . 1 1 52 52 LEU HD12 H 1 0.940 0.020 . 2 . . . . A 52 LEU HD12 . 34217 1 584 . 1 1 52 52 LEU HD13 H 1 0.940 0.020 . 2 . . . . A 52 LEU HD13 . 34217 1 585 . 1 1 52 52 LEU HD21 H 1 1.044 0.020 . 2 . . . . A 52 LEU HD21 . 34217 1 586 . 1 1 52 52 LEU HD22 H 1 1.044 0.020 . 2 . . . . A 52 LEU HD22 . 34217 1 587 . 1 1 52 52 LEU HD23 H 1 1.044 0.020 . 2 . . . . A 52 LEU HD23 . 34217 1 588 . 1 1 52 52 LEU C C 13 178.012 0.400 . 1 . . . . A 52 LEU C . 34217 1 589 . 1 1 52 52 LEU CA C 13 57.882 0.400 . 1 . . . . A 52 LEU CA . 34217 1 590 . 1 1 52 52 LEU CB C 13 41.444 0.400 . 1 . . . . A 52 LEU CB . 34217 1 591 . 1 1 52 52 LEU CG C 13 27.215 0.400 . 1 . . . . A 52 LEU CG . 34217 1 592 . 1 1 52 52 LEU CD1 C 13 26.050 0.400 . 2 . . . . A 52 LEU CD1 . 34217 1 593 . 1 1 52 52 LEU CD2 C 13 23.463 0.400 . 2 . . . . A 52 LEU CD2 . 34217 1 594 . 1 1 52 52 LEU N N 15 120.688 0.400 . 1 . . . . A 52 LEU N . 34217 1 595 . 1 1 53 53 LYS H H 1 8.323 0.020 . 1 . . . . A 53 LYS H . 34217 1 596 . 1 1 53 53 LYS HA H 1 3.982 0.020 . 1 . . . . A 53 LYS HA . 34217 1 597 . 1 1 53 53 LYS HB2 H 1 1.959 0.020 . 2 . . . . A 53 LYS HB2 . 34217 1 598 . 1 1 53 53 LYS HB3 H 1 1.959 0.020 . 2 . . . . A 53 LYS HB3 . 34217 1 599 . 1 1 53 53 LYS HG2 H 1 1.625 0.020 . 2 . . . . A 53 LYS HG2 . 34217 1 600 . 1 1 53 53 LYS HG3 H 1 1.470 0.020 . 2 . . . . A 53 LYS HG3 . 34217 1 601 . 1 1 53 53 LYS HD2 H 1 1.678 0.020 . 2 . . . . A 53 LYS HD2 . 34217 1 602 . 1 1 53 53 LYS HD3 H 1 1.678 0.020 . 2 . . . . A 53 LYS HD3 . 34217 1 603 . 1 1 53 53 LYS HE2 H 1 2.971 0.020 . 2 . . . . A 53 LYS HE2 . 34217 1 604 . 1 1 53 53 LYS HE3 H 1 2.971 0.020 . 2 . . . . A 53 LYS HE3 . 34217 1 605 . 1 1 53 53 LYS C C 13 179.144 0.400 . 1 . . . . A 53 LYS C . 34217 1 606 . 1 1 53 53 LYS CA C 13 60.042 0.400 . 1 . . . . A 53 LYS CA . 34217 1 607 . 1 1 53 53 LYS CB C 13 31.929 0.400 . 1 . . . . A 53 LYS CB . 34217 1 608 . 1 1 53 53 LYS CG C 13 25.156 0.400 . 1 . . . . A 53 LYS CG . 34217 1 609 . 1 1 53 53 LYS CD C 13 29.204 0.400 . 1 . . . . A 53 LYS CD . 34217 1 610 . 1 1 53 53 LYS CE C 13 42.030 0.400 . 1 . . . . A 53 LYS CE . 34217 1 611 . 1 1 53 53 LYS N N 15 119.010 0.400 . 1 . . . . A 53 LYS N . 34217 1 612 . 1 1 54 54 ASN H H 1 7.720 0.020 . 1 . . . . A 54 ASN H . 34217 1 613 . 1 1 54 54 ASN HA H 1 4.505 0.020 . 1 . . . . A 54 ASN HA . 34217 1 614 . 1 1 54 54 ASN HB2 H 1 3.026 0.020 . 2 . . . . A 54 ASN HB2 . 34217 1 615 . 1 1 54 54 ASN HB3 H 1 2.947 0.020 . 2 . . . . A 54 ASN HB3 . 34217 1 616 . 1 1 54 54 ASN C C 13 178.087 0.400 . 1 . . . . A 54 ASN C . 34217 1 617 . 1 1 54 54 ASN CA C 13 56.240 0.400 . 1 . . . . A 54 ASN CA . 34217 1 618 . 1 1 54 54 ASN CB C 13 38.653 0.400 . 1 . . . . A 54 ASN CB . 34217 1 619 . 1 1 54 54 ASN N N 15 116.685 0.400 . 1 . . . . A 54 ASN N . 34217 1 620 . 1 1 55 55 TRP H H 1 8.536 0.020 . 1 . . . . A 55 TRP H . 34217 1 621 . 1 1 55 55 TRP HA H 1 4.396 0.020 . 1 . . . . A 55 TRP HA . 34217 1 622 . 1 1 55 55 TRP HB2 H 1 3.510 0.020 . 2 . . . . A 55 TRP HB2 . 34217 1 623 . 1 1 55 55 TRP HB3 H 1 3.455 0.020 . 2 . . . . A 55 TRP HB3 . 34217 1 624 . 1 1 55 55 TRP HD1 H 1 7.080 0.020 . 1 . . . . A 55 TRP HD1 . 34217 1 625 . 1 1 55 55 TRP HE1 H 1 9.983 0.020 . 1 . . . . A 55 TRP HE1 . 34217 1 626 . 1 1 55 55 TRP HE3 H 1 7.663 0.020 . 1 . . . . A 55 TRP HE3 . 34217 1 627 . 1 1 55 55 TRP HZ2 H 1 7.408 0.020 . 1 . . . . A 55 TRP HZ2 . 34217 1 628 . 1 1 55 55 TRP HZ3 H 1 7.122 0.020 . 1 . . . . A 55 TRP HZ3 . 34217 1 629 . 1 1 55 55 TRP HH2 H 1 7.182 0.020 . 1 . . . . A 55 TRP HH2 . 34217 1 630 . 1 1 55 55 TRP C C 13 178.092 0.400 . 1 . . . . A 55 TRP C . 34217 1 631 . 1 1 55 55 TRP CA C 13 60.327 0.400 . 1 . . . . A 55 TRP CA . 34217 1 632 . 1 1 55 55 TRP CB C 13 30.012 0.400 . 1 . . . . A 55 TRP CB . 34217 1 633 . 1 1 55 55 TRP CD1 C 13 126.907 0.400 . 1 . . . . A 55 TRP CD1 . 34217 1 634 . 1 1 55 55 TRP CE3 C 13 121.001 0.400 . 1 . . . . A 55 TRP CE3 . 34217 1 635 . 1 1 55 55 TRP CZ2 C 13 114.180 0.400 . 1 . . . . A 55 TRP CZ2 . 34217 1 636 . 1 1 55 55 TRP CZ3 C 13 121.714 0.400 . 1 . . . . A 55 TRP CZ3 . 34217 1 637 . 1 1 55 55 TRP CH2 C 13 124.375 0.400 . 1 . . . . A 55 TRP CH2 . 34217 1 638 . 1 1 55 55 TRP N N 15 123.396 0.400 . 1 . . . . A 55 TRP N . 34217 1 639 . 1 1 55 55 TRP NE1 N 15 130.010 0.400 . 1 . . . . A 55 TRP NE1 . 34217 1 640 . 1 1 56 56 MET H H 1 8.709 0.020 . 1 . . . . A 56 MET H . 34217 1 641 . 1 1 56 56 MET HA H 1 4.786 0.020 . 1 . . . . A 56 MET HA . 34217 1 642 . 1 1 56 56 MET HB2 H 1 2.226 0.020 . 2 . . . . A 56 MET HB2 . 34217 1 643 . 1 1 56 56 MET HB3 H 1 2.163 0.020 . 2 . . . . A 56 MET HB3 . 34217 1 644 . 1 1 56 56 MET HG2 H 1 2.933 0.020 . 2 . . . . A 56 MET HG2 . 34217 1 645 . 1 1 56 56 MET HG3 H 1 2.664 0.020 . 2 . . . . A 56 MET HG3 . 34217 1 646 . 1 1 56 56 MET HE1 H 1 2.050 0.020 . 1 . . . . A 56 MET HE1 . 34217 1 647 . 1 1 56 56 MET HE2 H 1 2.050 0.020 . 1 . . . . A 56 MET HE2 . 34217 1 648 . 1 1 56 56 MET HE3 H 1 2.050 0.020 . 1 . . . . A 56 MET HE3 . 34217 1 649 . 1 1 56 56 MET C C 13 177.243 0.400 . 1 . . . . A 56 MET C . 34217 1 650 . 1 1 56 56 MET CA C 13 57.123 0.400 . 1 . . . . A 56 MET CA . 34217 1 651 . 1 1 56 56 MET CB C 13 33.196 0.400 . 1 . . . . A 56 MET CB . 34217 1 652 . 1 1 56 56 MET CG C 13 33.057 0.400 . 1 . . . . A 56 MET CG . 34217 1 653 . 1 1 56 56 MET CE C 13 17.133 0.400 . 1 . . . . A 56 MET CE . 34217 1 654 . 1 1 56 56 MET N N 15 115.907 0.400 . 1 . . . . A 56 MET N . 34217 1 655 . 1 1 57 57 GLU H H 1 7.341 0.020 . 1 . . . . A 57 GLU H . 34217 1 656 . 1 1 57 57 GLU HA H 1 4.060 0.020 . 1 . . . . A 57 GLU HA . 34217 1 657 . 1 1 57 57 GLU HB2 H 1 2.072 0.020 . 2 . . . . A 57 GLU HB2 . 34217 1 658 . 1 1 57 57 GLU HB3 H 1 2.072 0.020 . 2 . . . . A 57 GLU HB3 . 34217 1 659 . 1 1 57 57 GLU HG2 H 1 2.604 0.020 . 2 . . . . A 57 GLU HG2 . 34217 1 660 . 1 1 57 57 GLU HG3 H 1 2.297 0.020 . 2 . . . . A 57 GLU HG3 . 34217 1 661 . 1 1 57 57 GLU C C 13 177.586 0.400 . 1 . . . . A 57 GLU C . 34217 1 662 . 1 1 57 57 GLU CA C 13 58.646 0.400 . 1 . . . . A 57 GLU CA . 34217 1 663 . 1 1 57 57 GLU CB C 13 29.876 0.400 . 1 . . . . A 57 GLU CB . 34217 1 664 . 1 1 57 57 GLU CG C 13 36.550 0.400 . 1 . . . . A 57 GLU CG . 34217 1 665 . 1 1 57 57 GLU N N 15 117.612 0.400 . 1 . . . . A 57 GLU N . 34217 1 666 . 1 1 58 58 ARG H H 1 7.575 0.020 . 1 . . . . A 58 ARG H . 34217 1 667 . 1 1 58 58 ARG HA H 1 4.341 0.020 . 1 . . . . A 58 ARG HA . 34217 1 668 . 1 1 58 58 ARG HB2 H 1 1.554 0.020 . 2 . . . . A 58 ARG HB2 . 34217 1 669 . 1 1 58 58 ARG HB3 H 1 1.456 0.020 . 2 . . . . A 58 ARG HB3 . 34217 1 670 . 1 1 58 58 ARG HG2 H 1 1.413 0.020 . 2 . . . . A 58 ARG HG2 . 34217 1 671 . 1 1 58 58 ARG HG3 H 1 1.378 0.020 . 2 . . . . A 58 ARG HG3 . 34217 1 672 . 1 1 58 58 ARG HD2 H 1 3.026 0.020 . 2 . . . . A 58 ARG HD2 . 34217 1 673 . 1 1 58 58 ARG HD3 H 1 3.026 0.020 . 2 . . . . A 58 ARG HD3 . 34217 1 674 . 1 1 58 58 ARG C C 13 175.940 0.400 . 1 . . . . A 58 ARG C . 34217 1 675 . 1 1 58 58 ARG CA C 13 56.011 0.400 . 1 . . . . A 58 ARG CA . 34217 1 676 . 1 1 58 58 ARG CB C 13 31.843 0.400 . 1 . . . . A 58 ARG CB . 34217 1 677 . 1 1 58 58 ARG CG C 13 26.822 0.400 . 1 . . . . A 58 ARG CG . 34217 1 678 . 1 1 58 58 ARG CD C 13 43.309 0.400 . 1 . . . . A 58 ARG CD . 34217 1 679 . 1 1 58 58 ARG N N 15 115.215 0.400 . 1 . . . . A 58 ARG N . 34217 1 680 . 1 1 59 59 SER H H 1 7.639 0.020 . 1 . . . . A 59 SER H . 34217 1 681 . 1 1 59 59 SER HA H 1 4.321 0.020 . 1 . . . . A 59 SER HA . 34217 1 682 . 1 1 59 59 SER HB2 H 1 3.073 0.020 . 2 . . . . A 59 SER HB2 . 34217 1 683 . 1 1 59 59 SER HB3 H 1 2.692 0.020 . 2 . . . . A 59 SER HB3 . 34217 1 684 . 1 1 59 59 SER C C 13 173.288 0.400 . 1 . . . . A 59 SER C . 34217 1 685 . 1 1 59 59 SER CA C 13 57.063 0.400 . 1 . . . . A 59 SER CA . 34217 1 686 . 1 1 59 59 SER CB C 13 63.836 0.400 . 1 . . . . A 59 SER CB . 34217 1 687 . 1 1 59 59 SER N N 15 114.378 0.400 . 1 . . . . A 59 SER N . 34217 1 688 . 1 1 60 60 GLN H H 1 8.505 0.020 . 1 . . . . A 60 GLN H . 34217 1 689 . 1 1 60 60 GLN HA H 1 4.752 0.020 . 1 . . . . A 60 GLN HA . 34217 1 690 . 1 1 60 60 GLN HB2 H 1 2.030 0.020 . 2 . . . . A 60 GLN HB2 . 34217 1 691 . 1 1 60 60 GLN HB3 H 1 2.030 0.020 . 2 . . . . A 60 GLN HB3 . 34217 1 692 . 1 1 60 60 GLN HG2 H 1 2.410 0.020 . 2 . . . . A 60 GLN HG2 . 34217 1 693 . 1 1 60 60 GLN HG3 H 1 2.383 0.020 . 2 . . . . A 60 GLN HG3 . 34217 1 694 . 1 1 60 60 GLN C C 13 176.229 0.400 . 1 . . . . A 60 GLN C . 34217 1 695 . 1 1 60 60 GLN CA C 13 55.088 0.400 . 1 . . . . A 60 GLN CA . 34217 1 696 . 1 1 60 60 GLN CB C 13 28.007 0.400 . 1 . . . . A 60 GLN CB . 34217 1 697 . 1 1 60 60 GLN CG C 13 34.475 0.400 . 1 . . . . A 60 GLN CG . 34217 1 698 . 1 1 60 60 GLN N N 15 123.988 0.400 . 1 . . . . A 60 GLN N . 34217 1 699 . 1 1 61 61 THR H H 1 8.138 0.020 . 1 . . . . A 61 THR H . 34217 1 700 . 1 1 61 61 THR HA H 1 4.885 0.020 . 1 . . . . A 61 THR HA . 34217 1 701 . 1 1 61 61 THR HB H 1 3.742 0.020 . 1 . . . . A 61 THR HB . 34217 1 702 . 1 1 61 61 THR HG21 H 1 0.975 0.020 . 1 . . . . A 61 THR HG21 . 34217 1 703 . 1 1 61 61 THR HG22 H 1 0.975 0.020 . 1 . . . . A 61 THR HG22 . 34217 1 704 . 1 1 61 61 THR HG23 H 1 0.975 0.020 . 1 . . . . A 61 THR HG23 . 34217 1 705 . 1 1 61 61 THR C C 13 173.138 0.400 . 1 . . . . A 61 THR C . 34217 1 706 . 1 1 61 61 THR CA C 13 58.990 0.400 . 1 . . . . A 61 THR CA . 34217 1 707 . 1 1 61 61 THR CB C 13 72.871 0.400 . 1 . . . . A 61 THR CB . 34217 1 708 . 1 1 61 61 THR CG2 C 13 21.999 0.400 . 1 . . . . A 61 THR CG2 . 34217 1 709 . 1 1 61 61 THR N N 15 110.413 0.400 . 1 . . . . A 61 THR N . 34217 1 710 . 1 1 62 62 CYS H H 1 8.718 0.020 . 1 . . . . A 62 CYS H . 34217 1 711 . 1 1 62 62 CYS HA H 1 4.262 0.020 . 1 . . . . A 62 CYS HA . 34217 1 712 . 1 1 62 62 CYS HB2 H 1 3.111 0.020 . 2 . . . . A 62 CYS HB2 . 34217 1 713 . 1 1 62 62 CYS HB3 H 1 2.985 0.020 . 2 . . . . A 62 CYS HB3 . 34217 1 714 . 1 1 62 62 CYS CA C 13 56.511 0.400 . 1 . . . . A 62 CYS CA . 34217 1 715 . 1 1 62 62 CYS CB C 13 31.532 0.400 . 1 . . . . A 62 CYS CB . 34217 1 716 . 1 1 62 62 CYS N N 15 122.646 0.400 . 1 . . . . A 62 CYS N . 34217 1 717 . 1 1 63 63 PRO HA H 1 3.981 0.020 . 1 . . . . A 63 PRO HA . 34217 1 718 . 1 1 63 63 PRO HB2 H 1 1.114 0.020 . 2 . . . . A 63 PRO HB2 . 34217 1 719 . 1 1 63 63 PRO HB3 H 1 0.478 0.020 . 2 . . . . A 63 PRO HB3 . 34217 1 720 . 1 1 63 63 PRO HG2 H 1 1.276 0.020 . 2 . . . . A 63 PRO HG2 . 34217 1 721 . 1 1 63 63 PRO HG3 H 1 0.713 0.020 . 2 . . . . A 63 PRO HG3 . 34217 1 722 . 1 1 63 63 PRO HD2 H 1 3.858 0.020 . 2 . . . . A 63 PRO HD2 . 34217 1 723 . 1 1 63 63 PRO HD3 H 1 3.157 0.020 . 2 . . . . A 63 PRO HD3 . 34217 1 724 . 1 1 63 63 PRO C C 13 176.102 0.400 . 1 . . . . A 63 PRO C . 34217 1 725 . 1 1 63 63 PRO CA C 13 64.155 0.400 . 1 . . . . A 63 PRO CA . 34217 1 726 . 1 1 63 63 PRO CB C 13 30.676 0.400 . 1 . . . . A 63 PRO CB . 34217 1 727 . 1 1 63 63 PRO CG C 13 26.488 0.400 . 1 . . . . A 63 PRO CG . 34217 1 728 . 1 1 63 63 PRO CD C 13 49.957 0.400 . 1 . . . . A 63 PRO CD . 34217 1 729 . 1 1 64 64 ILE H H 1 9.142 0.020 . 1 . . . . A 64 ILE H . 34217 1 730 . 1 1 64 64 ILE HA H 1 3.759 0.020 . 1 . . . . A 64 ILE HA . 34217 1 731 . 1 1 64 64 ILE HB H 1 0.877 0.020 . 1 . . . . A 64 ILE HB . 34217 1 732 . 1 1 64 64 ILE HG12 H 1 1.090 0.020 . 2 . . . . A 64 ILE HG12 . 34217 1 733 . 1 1 64 64 ILE HG13 H 1 0.778 0.020 . 2 . . . . A 64 ILE HG13 . 34217 1 734 . 1 1 64 64 ILE HG21 H 1 0.326 0.020 . 1 . . . . A 64 ILE HG21 . 34217 1 735 . 1 1 64 64 ILE HG22 H 1 0.326 0.020 . 1 . . . . A 64 ILE HG22 . 34217 1 736 . 1 1 64 64 ILE HG23 H 1 0.326 0.020 . 1 . . . . A 64 ILE HG23 . 34217 1 737 . 1 1 64 64 ILE HD11 H 1 0.604 0.020 . 1 . . . . A 64 ILE HD11 . 34217 1 738 . 1 1 64 64 ILE HD12 H 1 0.604 0.020 . 1 . . . . A 64 ILE HD12 . 34217 1 739 . 1 1 64 64 ILE HD13 H 1 0.604 0.020 . 1 . . . . A 64 ILE HD13 . 34217 1 740 . 1 1 64 64 ILE C C 13 176.826 0.400 . 1 . . . . A 64 ILE C . 34217 1 741 . 1 1 64 64 ILE CA C 13 63.791 0.400 . 1 . . . . A 64 ILE CA . 34217 1 742 . 1 1 64 64 ILE CB C 13 39.021 0.400 . 1 . . . . A 64 ILE CB . 34217 1 743 . 1 1 64 64 ILE CG1 C 13 28.793 0.400 . 1 . . . . A 64 ILE CG1 . 34217 1 744 . 1 1 64 64 ILE CG2 C 13 16.824 0.400 . 1 . . . . A 64 ILE CG2 . 34217 1 745 . 1 1 64 64 ILE CD1 C 13 13.453 0.400 . 1 . . . . A 64 ILE CD1 . 34217 1 746 . 1 1 64 64 ILE N N 15 121.630 0.400 . 1 . . . . A 64 ILE N . 34217 1 747 . 1 1 65 65 CYS H H 1 8.492 0.020 . 1 . . . . A 65 CYS H . 34217 1 748 . 1 1 65 65 CYS HA H 1 4.881 0.020 . 1 . . . . A 65 CYS HA . 34217 1 749 . 1 1 65 65 CYS HB2 H 1 3.341 0.020 . 2 . . . . A 65 CYS HB2 . 34217 1 750 . 1 1 65 65 CYS HB3 H 1 2.764 0.020 . 2 . . . . A 65 CYS HB3 . 34217 1 751 . 1 1 65 65 CYS C C 13 175.748 0.400 . 1 . . . . A 65 CYS C . 34217 1 752 . 1 1 65 65 CYS CA C 13 58.913 0.400 . 1 . . . . A 65 CYS CA . 34217 1 753 . 1 1 65 65 CYS CB C 13 32.328 0.400 . 1 . . . . A 65 CYS CB . 34217 1 754 . 1 1 65 65 CYS N N 15 119.076 0.400 . 1 . . . . A 65 CYS N . 34217 1 755 . 1 1 66 66 ARG H H 1 7.942 0.020 . 1 . . . . A 66 ARG H . 34217 1 756 . 1 1 66 66 ARG HA H 1 4.172 0.020 . 1 . . . . A 66 ARG HA . 34217 1 757 . 1 1 66 66 ARG HB2 H 1 2.154 0.020 . 2 . . . . A 66 ARG HB2 . 34217 1 758 . 1 1 66 66 ARG HB3 H 1 2.113 0.020 . 2 . . . . A 66 ARG HB3 . 34217 1 759 . 1 1 66 66 ARG HG2 H 1 1.546 0.020 . 2 . . . . A 66 ARG HG2 . 34217 1 760 . 1 1 66 66 ARG HG3 H 1 1.512 0.020 . 2 . . . . A 66 ARG HG3 . 34217 1 761 . 1 1 66 66 ARG HD2 H 1 3.233 0.020 . 2 . . . . A 66 ARG HD2 . 34217 1 762 . 1 1 66 66 ARG HD3 H 1 3.172 0.020 . 2 . . . . A 66 ARG HD3 . 34217 1 763 . 1 1 66 66 ARG C C 13 174.833 0.400 . 1 . . . . A 66 ARG C . 34217 1 764 . 1 1 66 66 ARG CA C 13 57.918 0.400 . 1 . . . . A 66 ARG CA . 34217 1 765 . 1 1 66 66 ARG CB C 13 26.953 0.400 . 1 . . . . A 66 ARG CB . 34217 1 766 . 1 1 66 66 ARG CG C 13 27.636 0.400 . 1 . . . . A 66 ARG CG . 34217 1 767 . 1 1 66 66 ARG CD C 13 43.184 0.400 . 1 . . . . A 66 ARG CD . 34217 1 768 . 1 1 66 66 ARG N N 15 115.687 0.400 . 1 . . . . A 66 ARG N . 34217 1 769 . 1 1 67 67 LEU H H 1 7.754 0.020 . 1 . . . . A 67 LEU H . 34217 1 770 . 1 1 67 67 LEU HB2 H 1 1.765 0.020 . 2 . . . . A 67 LEU HB2 . 34217 1 771 . 1 1 67 67 LEU HB3 H 1 1.527 0.020 . 2 . . . . A 67 LEU HB3 . 34217 1 772 . 1 1 67 67 LEU HG H 1 1.884 0.020 . 1 . . . . A 67 LEU HG . 34217 1 773 . 1 1 67 67 LEU HD11 H 1 1.010 0.020 . 2 . . . . A 67 LEU HD11 . 34217 1 774 . 1 1 67 67 LEU HD12 H 1 1.010 0.020 . 2 . . . . A 67 LEU HD12 . 34217 1 775 . 1 1 67 67 LEU HD13 H 1 1.010 0.020 . 2 . . . . A 67 LEU HD13 . 34217 1 776 . 1 1 67 67 LEU HD21 H 1 0.968 0.020 . 2 . . . . A 67 LEU HD21 . 34217 1 777 . 1 1 67 67 LEU HD22 H 1 0.968 0.020 . 2 . . . . A 67 LEU HD22 . 34217 1 778 . 1 1 67 67 LEU HD23 H 1 0.968 0.020 . 2 . . . . A 67 LEU HD23 . 34217 1 779 . 1 1 67 67 LEU C C 13 175.731 0.400 . 1 . . . . A 67 LEU C . 34217 1 780 . 1 1 67 67 LEU CA C 13 54.050 0.400 . 1 . . . . A 67 LEU CA . 34217 1 781 . 1 1 67 67 LEU CB C 13 41.239 0.400 . 1 . . . . A 67 LEU CB . 34217 1 782 . 1 1 67 67 LEU CG C 13 27.349 0.400 . 1 . . . . A 67 LEU CG . 34217 1 783 . 1 1 67 67 LEU CD1 C 13 25.363 0.400 . 2 . . . . A 67 LEU CD1 . 34217 1 784 . 1 1 67 67 LEU CD2 C 13 23.378 0.400 . 2 . . . . A 67 LEU CD2 . 34217 1 785 . 1 1 67 67 LEU N N 15 121.993 0.400 . 1 . . . . A 67 LEU N . 34217 1 786 . 1 1 68 68 PRO HA H 1 4.530 0.020 . 1 . . . . A 68 PRO HA . 34217 1 787 . 1 1 68 68 PRO HB2 H 1 2.341 0.020 . 2 . . . . A 68 PRO HB2 . 34217 1 788 . 1 1 68 68 PRO HB3 H 1 1.863 0.020 . 2 . . . . A 68 PRO HB3 . 34217 1 789 . 1 1 68 68 PRO HG2 H 1 2.170 0.020 . 2 . . . . A 68 PRO HG2 . 34217 1 790 . 1 1 68 68 PRO HG3 H 1 2.018 0.020 . 2 . . . . A 68 PRO HG3 . 34217 1 791 . 1 1 68 68 PRO HD2 H 1 3.982 0.020 . 2 . . . . A 68 PRO HD2 . 34217 1 792 . 1 1 68 68 PRO HD3 H 1 3.671 0.020 . 2 . . . . A 68 PRO HD3 . 34217 1 793 . 1 1 68 68 PRO C C 13 176.821 0.400 . 1 . . . . A 68 PRO C . 34217 1 794 . 1 1 68 68 PRO CA C 13 63.670 0.400 . 1 . . . . A 68 PRO CA . 34217 1 795 . 1 1 68 68 PRO CB C 13 32.269 0.400 . 1 . . . . A 68 PRO CB . 34217 1 796 . 1 1 68 68 PRO CG C 13 27.979 0.400 . 1 . . . . A 68 PRO CG . 34217 1 797 . 1 1 68 68 PRO CD C 13 50.827 0.400 . 1 . . . . A 68 PRO CD . 34217 1 798 . 1 1 69 69 VAL H H 1 7.721 0.020 . 1 . . . . A 69 VAL H . 34217 1 799 . 1 1 69 69 VAL HA H 1 4.127 0.020 . 1 . . . . A 69 VAL HA . 34217 1 800 . 1 1 69 69 VAL HB H 1 1.930 0.020 . 1 . . . . A 69 VAL HB . 34217 1 801 . 1 1 69 69 VAL HG11 H 1 0.791 0.020 . 2 . . . . A 69 VAL HG11 . 34217 1 802 . 1 1 69 69 VAL HG12 H 1 0.791 0.020 . 2 . . . . A 69 VAL HG12 . 34217 1 803 . 1 1 69 69 VAL HG13 H 1 0.791 0.020 . 2 . . . . A 69 VAL HG13 . 34217 1 804 . 1 1 69 69 VAL HG21 H 1 0.719 0.020 . 2 . . . . A 69 VAL HG21 . 34217 1 805 . 1 1 69 69 VAL HG22 H 1 0.719 0.020 . 2 . . . . A 69 VAL HG22 . 34217 1 806 . 1 1 69 69 VAL HG23 H 1 0.719 0.020 . 2 . . . . A 69 VAL HG23 . 34217 1 807 . 1 1 69 69 VAL C C 13 174.361 0.400 . 1 . . . . A 69 VAL C . 34217 1 808 . 1 1 69 69 VAL CA C 13 62.098 0.400 . 1 . . . . A 69 VAL CA . 34217 1 809 . 1 1 69 69 VAL CB C 13 32.693 0.400 . 1 . . . . A 69 VAL CB . 34217 1 810 . 1 1 69 69 VAL CG1 C 13 21.682 0.400 . 2 . . . . A 69 VAL CG1 . 34217 1 811 . 1 1 69 69 VAL CG2 C 13 19.875 0.400 . 2 . . . . A 69 VAL CG2 . 34217 1 812 . 1 1 69 69 VAL N N 15 118.141 0.400 . 1 . . . . A 69 VAL N . 34217 1 813 . 1 1 70 70 PHE H H 1 7.638 0.020 . 1 . . . . A 70 PHE H . 34217 1 814 . 1 1 70 70 PHE HA H 1 4.862 0.020 . 1 . . . . A 70 PHE HA . 34217 1 815 . 1 1 70 70 PHE HB2 H 1 3.154 0.020 . 2 . . . . A 70 PHE HB2 . 34217 1 816 . 1 1 70 70 PHE HB3 H 1 2.952 0.020 . 2 . . . . A 70 PHE HB3 . 34217 1 817 . 1 1 70 70 PHE HD1 H 1 7.220 0.020 . 1 . . . . A 70 PHE HD1 . 34217 1 818 . 1 1 70 70 PHE HD2 H 1 7.220 0.020 . 1 . . . . A 70 PHE HD2 . 34217 1 819 . 1 1 70 70 PHE HE1 H 1 7.331 0.020 . 1 . . . . A 70 PHE HE1 . 34217 1 820 . 1 1 70 70 PHE HE2 H 1 7.331 0.020 . 1 . . . . A 70 PHE HE2 . 34217 1 821 . 1 1 70 70 PHE HZ H 1 7.280 0.020 . 1 . . . . A 70 PHE HZ . 34217 1 822 . 1 1 70 70 PHE C C 13 175.226 0.400 . 1 . . . . A 70 PHE C . 34217 1 823 . 1 1 70 70 PHE CA C 13 56.314 0.400 . 1 . . . . A 70 PHE CA . 34217 1 824 . 1 1 70 70 PHE CB C 13 40.721 0.400 . 1 . . . . A 70 PHE CB . 34217 1 825 . 1 1 70 70 PHE CD1 C 13 132.044 0.400 . 3 . . . . A 70 PHE CD1 . 34217 1 826 . 1 1 70 70 PHE CE2 C 13 131.343 0.400 . 3 . . . . A 70 PHE CE2 . 34217 1 827 . 1 1 70 70 PHE CZ C 13 129.767 0.400 . 1 . . . . A 70 PHE CZ . 34217 1 828 . 1 1 70 70 PHE N N 15 119.199 0.400 . 1 . . . . A 70 PHE N . 34217 1 829 . 1 1 71 71 ASP H H 1 8.480 0.020 . 1 . . . . A 71 ASP H . 34217 1 830 . 1 1 71 71 ASP HA H 1 4.631 0.020 . 1 . . . . A 71 ASP HA . 34217 1 831 . 1 1 71 71 ASP HB2 H 1 2.747 0.020 . 2 . . . . A 71 ASP HB2 . 34217 1 832 . 1 1 71 71 ASP HB3 H 1 2.689 0.020 . 2 . . . . A 71 ASP HB3 . 34217 1 833 . 1 1 71 71 ASP C C 13 176.517 0.400 . 1 . . . . A 71 ASP C . 34217 1 834 . 1 1 71 71 ASP CA C 13 53.562 0.400 . 1 . . . . A 71 ASP CA . 34217 1 835 . 1 1 71 71 ASP CB C 13 41.639 0.400 . 1 . . . . A 71 ASP CB . 34217 1 836 . 1 1 71 71 ASP N N 15 121.887 0.400 . 1 . . . . A 71 ASP N . 34217 1 837 . 1 1 72 72 GLU H H 1 8.616 0.020 . 1 . . . . A 72 GLU H . 34217 1 838 . 1 1 72 72 GLU HA H 1 4.237 0.020 . 1 . . . . A 72 GLU HA . 34217 1 839 . 1 1 72 72 GLU HB2 H 1 2.109 0.020 . 2 . . . . A 72 GLU HB2 . 34217 1 840 . 1 1 72 72 GLU HB3 H 1 2.005 0.020 . 2 . . . . A 72 GLU HB3 . 34217 1 841 . 1 1 72 72 GLU HG2 H 1 2.312 0.020 . 2 . . . . A 72 GLU HG2 . 34217 1 842 . 1 1 72 72 GLU HG3 H 1 2.258 0.020 . 2 . . . . A 72 GLU HG3 . 34217 1 843 . 1 1 72 72 GLU C C 13 176.924 0.400 . 1 . . . . A 72 GLU C . 34217 1 844 . 1 1 72 72 GLU CA C 13 57.440 0.400 . 1 . . . . A 72 GLU CA . 34217 1 845 . 1 1 72 72 GLU CB C 13 29.922 0.400 . 1 . . . . A 72 GLU CB . 34217 1 846 . 1 1 72 72 GLU CG C 13 36.285 0.400 . 1 . . . . A 72 GLU CG . 34217 1 847 . 1 1 72 72 GLU N N 15 121.574 0.400 . 1 . . . . A 72 GLU N . 34217 1 848 . 1 1 73 73 LYS H H 1 8.341 0.020 . 1 . . . . A 73 LYS H . 34217 1 849 . 1 1 73 73 LYS HA H 1 4.312 0.020 . 1 . . . . A 73 LYS HA . 34217 1 850 . 1 1 73 73 LYS HB2 H 1 1.904 0.020 . 2 . . . . A 73 LYS HB2 . 34217 1 851 . 1 1 73 73 LYS HB3 H 1 1.827 0.020 . 2 . . . . A 73 LYS HB3 . 34217 1 852 . 1 1 73 73 LYS HG2 H 1 1.463 0.020 . 2 . . . . A 73 LYS HG2 . 34217 1 853 . 1 1 73 73 LYS HG3 H 1 1.410 0.020 . 2 . . . . A 73 LYS HG3 . 34217 1 854 . 1 1 73 73 LYS HD2 H 1 1.677 0.020 . 2 . . . . A 73 LYS HD2 . 34217 1 855 . 1 1 73 73 LYS HD3 H 1 1.677 0.020 . 2 . . . . A 73 LYS HD3 . 34217 1 856 . 1 1 73 73 LYS HE2 H 1 2.998 0.020 . 2 . . . . A 73 LYS HE2 . 34217 1 857 . 1 1 73 73 LYS HE3 H 1 2.998 0.020 . 2 . . . . A 73 LYS HE3 . 34217 1 858 . 1 1 73 73 LYS C C 13 177.184 0.400 . 1 . . . . A 73 LYS C . 34217 1 859 . 1 1 73 73 LYS CA C 13 56.477 0.400 . 1 . . . . A 73 LYS CA . 34217 1 860 . 1 1 73 73 LYS CB C 13 32.639 0.400 . 1 . . . . A 73 LYS CB . 34217 1 861 . 1 1 73 73 LYS CG C 13 24.926 0.400 . 1 . . . . A 73 LYS CG . 34217 1 862 . 1 1 73 73 LYS CD C 13 28.928 0.400 . 1 . . . . A 73 LYS CD . 34217 1 863 . 1 1 73 73 LYS CE C 13 42.139 0.400 . 1 . . . . A 73 LYS CE . 34217 1 864 . 1 1 73 73 LYS N N 15 120.749 0.400 . 1 . . . . A 73 LYS N . 34217 1 865 . 1 1 74 74 GLY H H 1 8.218 0.020 . 1 . . . . A 74 GLY H . 34217 1 866 . 1 1 74 74 GLY HA2 H 1 3.945 0.020 . 2 . . . . A 74 GLY HA2 . 34217 1 867 . 1 1 74 74 GLY HA3 H 1 3.857 0.020 . 2 . . . . A 74 GLY HA3 . 34217 1 868 . 1 1 74 74 GLY C C 13 173.869 0.400 . 1 . . . . A 74 GLY C . 34217 1 869 . 1 1 74 74 GLY CA C 13 45.446 0.400 . 1 . . . . A 74 GLY CA . 34217 1 870 . 1 1 74 74 GLY N N 15 108.486 0.400 . 1 . . . . A 74 GLY N . 34217 1 871 . 1 1 75 75 ASN H H 1 8.320 0.020 . 1 . . . . A 75 ASN H . 34217 1 872 . 1 1 75 75 ASN HA H 1 4.756 0.020 . 1 . . . . A 75 ASN HA . 34217 1 873 . 1 1 75 75 ASN HB2 H 1 2.764 0.020 . 2 . . . . A 75 ASN HB2 . 34217 1 874 . 1 1 75 75 ASN HB3 H 1 2.764 0.020 . 2 . . . . A 75 ASN HB3 . 34217 1 875 . 1 1 75 75 ASN C C 13 175.088 0.400 . 1 . . . . A 75 ASN C . 34217 1 876 . 1 1 75 75 ASN CA C 13 53.091 0.400 . 1 . . . . A 75 ASN CA . 34217 1 877 . 1 1 75 75 ASN CB C 13 39.158 0.400 . 1 . . . . A 75 ASN CB . 34217 1 878 . 1 1 75 75 ASN N N 15 118.881 0.400 . 1 . . . . A 75 ASN N . 34217 1 879 . 1 1 76 76 VAL H H 1 8.151 0.020 . 1 . . . . A 76 VAL H . 34217 1 880 . 1 1 76 76 VAL HA H 1 4.151 0.020 . 1 . . . . A 76 VAL HA . 34217 1 881 . 1 1 76 76 VAL HB H 1 2.047 0.020 . 1 . . . . A 76 VAL HB . 34217 1 882 . 1 1 76 76 VAL HG11 H 1 0.918 0.020 . 2 . . . . A 76 VAL HG11 . 34217 1 883 . 1 1 76 76 VAL HG12 H 1 0.918 0.020 . 2 . . . . A 76 VAL HG12 . 34217 1 884 . 1 1 76 76 VAL HG13 H 1 0.918 0.020 . 2 . . . . A 76 VAL HG13 . 34217 1 885 . 1 1 76 76 VAL HG21 H 1 0.918 0.020 . 2 . . . . A 76 VAL HG21 . 34217 1 886 . 1 1 76 76 VAL HG22 H 1 0.918 0.020 . 2 . . . . A 76 VAL HG22 . 34217 1 887 . 1 1 76 76 VAL HG23 H 1 0.918 0.020 . 2 . . . . A 76 VAL HG23 . 34217 1 888 . 1 1 76 76 VAL C C 13 176.048 0.400 . 1 . . . . A 76 VAL C . 34217 1 889 . 1 1 76 76 VAL CA C 13 62.529 0.400 . 1 . . . . A 76 VAL CA . 34217 1 890 . 1 1 76 76 VAL CB C 13 32.758 0.400 . 1 . . . . A 76 VAL CB . 34217 1 891 . 1 1 76 76 VAL CG1 C 13 21.081 0.400 . 2 . . . . A 76 VAL CG1 . 34217 1 892 . 1 1 76 76 VAL N N 15 120.656 0.400 . 1 . . . . A 76 VAL N . 34217 1 893 . 1 1 77 77 VAL H H 1 8.188 0.020 . 1 . . . . A 77 VAL H . 34217 1 894 . 1 1 77 77 VAL HA H 1 4.089 0.020 . 1 . . . . A 77 VAL HA . 34217 1 895 . 1 1 77 77 VAL HB H 1 2.044 0.020 . 1 . . . . A 77 VAL HB . 34217 1 896 . 1 1 77 77 VAL HG11 H 1 0.925 0.020 . 2 . . . . A 77 VAL HG11 . 34217 1 897 . 1 1 77 77 VAL HG12 H 1 0.925 0.020 . 2 . . . . A 77 VAL HG12 . 34217 1 898 . 1 1 77 77 VAL HG13 H 1 0.925 0.020 . 2 . . . . A 77 VAL HG13 . 34217 1 899 . 1 1 77 77 VAL HG21 H 1 0.925 0.020 . 2 . . . . A 77 VAL HG21 . 34217 1 900 . 1 1 77 77 VAL HG22 H 1 0.925 0.020 . 2 . . . . A 77 VAL HG22 . 34217 1 901 . 1 1 77 77 VAL HG23 H 1 0.925 0.020 . 2 . . . . A 77 VAL HG23 . 34217 1 902 . 1 1 77 77 VAL C C 13 175.042 0.400 . 1 . . . . A 77 VAL C . 34217 1 903 . 1 1 77 77 VAL CA C 13 62.600 0.400 . 1 . . . . A 77 VAL CA . 34217 1 904 . 1 1 77 77 VAL CB C 13 32.669 0.400 . 1 . . . . A 77 VAL CB . 34217 1 905 . 1 1 77 77 VAL CG1 C 13 21.138 0.400 . 2 . . . . A 77 VAL CG1 . 34217 1 906 . 1 1 77 77 VAL N N 15 125.010 0.400 . 1 . . . . A 77 VAL N . 34217 1 907 . 1 1 78 78 GLN H H 1 7.938 0.020 . 1 . . . . A 78 GLN H . 34217 1 908 . 1 1 78 78 GLN HA H 1 4.174 0.020 . 1 . . . . A 78 GLN HA . 34217 1 909 . 1 1 78 78 GLN HB2 H 1 2.067 0.020 . 2 . . . . A 78 GLN HB2 . 34217 1 910 . 1 1 78 78 GLN HB3 H 1 1.917 0.020 . 2 . . . . A 78 GLN HB3 . 34217 1 911 . 1 1 78 78 GLN C C 13 180.332 0.400 . 1 . . . . A 78 GLN C . 34217 1 912 . 1 1 78 78 GLN CA C 13 57.340 0.400 . 1 . . . . A 78 GLN CA . 34217 1 913 . 1 1 78 78 GLN CB C 13 30.713 0.400 . 1 . . . . A 78 GLN CB . 34217 1 914 . 1 1 78 78 GLN N N 15 129.079 0.400 . 1 . . . . A 78 GLN N . 34217 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 34217 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 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 3 # FORMAT xeasy3D # INAME 1 H # INAME 2 C # INAME 3 HC # SPECTRUM C13NOESY H C HC 1 4.351 54.683 4.351 1 U 6.610E+06 0.000E+00 e 0 HA.371 CA.371 HA.371 2 7.891 54.687 4.350 1 U 1.060E+05 0.000E+00 e 0 H.371 CA.371 HA.371 3 8.716 56.506 4.259 1 U 3.120E+05 0.000E+00 e 0 H.396 CA.396 HA.396 4 4.165 56.380 4.164 1 U 1.630E+07 0.000E+00 e 0 HA.362 CA.362 HA.362 5 2.082 56.370 4.164 1 U 5.290E+05 0.000E+00 e 0 HB2.362 CA.362 HA.362 6 1.971 56.380 4.164 1 U 4.500E+05 0.000E+00 e 0 HB3.362 CA.362 HA.362 7 2.262 56.404 4.167 1 U 2.670E+05 0.000E+00 e 0 QG.362 CA.362 HA.362 8 1.921 64.001 4.355 1 U 6.970E+05 0.000E+00 e 0 QG.360 CA.360 HA.360 9 2.219 63.998 4.355 1 U 9.130E+05 0.000E+00 e 0 QB.360 CA.360 HA.360 10 4.172 30.725 2.073 1 U 1.810E+05 0.000E+00 e 0 HA.412 CB.412 HB2.412 11 4.183 30.751 1.917 1 U 7.640E+04 0.000E+00 e 0 HA.412 CB.412 HB3.412 12 1.010 42.364 2.271 1 U 3.330E+05 0.000E+00 e 0 QD1.375 CB.375 HB2.375 13 1.786 42.370 2.271 1 U 4.810E+05 0.000E+00 e 0 HG.375 CB.375 HB2.375 14 1.785 42.369 1.884 1 U 6.390E+05 0.000E+00 e 0 HG.375 CB.375 HB3.375 15 1.525 41.234 1.766 1 U 1.890E+06 0.000E+00 e 0 HB3.401 CB.401 HB2.401 16 1.882 41.231 1.765 1 U 6.490E+05 0.000E+00 e 0 HG.401 CB.401 HB2.401 17 1.881 41.247 1.523 1 U 3.510E+05 0.000E+00 e 0 HG.401 CB.401 HB3.401 18 0.970 41.259 1.527 1 U 6.160E+05 0.000E+00 e 0 QD2.401 CB.401 HB3.401 19 1.012 41.230 1.526 1 U 5.990E+05 0.000E+00 e 0 QD1.401 CB.401 HB3.401 20 1.918 30.730 1.917 1 U 3.200E+07 0.000E+00 e 0 - - - 21 2.072 30.699 1.911 1 U 5.170E+06 0.000E+00 e 0 - - - 22 2.256 30.759 1.916 1 U 4.740E+05 0.000E+00 e 0 - - - 23 7.946 30.759 1.911 1 U 1.340E+05 0.000E+00 e 0 - - - 24 8.657 30.908 1.933 1 U 3.760E+05 0.000E+00 e 0 - - - 25 8.655 30.688 1.918 1 U 1.450E+05 0.000E+00 e 0 - - - 26 0.836 30.871 1.964 1 U 6.280E+04 0.000E+00 e 0 - - - 27 1.914 30.712 2.074 1 U 5.570E+06 0.000E+00 e 0 - - - 28 2.072 30.686 2.072 1 U 2.610E+07 0.000E+00 e 0 - - - 29 2.271 30.643 2.072 1 U 5.170E+05 0.000E+00 e 0 - - - 30 7.950 30.782 2.064 1 U 7.420E+04 0.000E+00 e 0 - - - 31 0.924 57.414 4.174 1 U 1.290E+05 0.000E+00 e 0 - - - 32 1.913 57.323 4.175 1 U 1.420E+05 0.000E+00 e 0 - - - 33 2.283 57.383 4.176 1 U 1.440E+05 0.000E+00 e 0 - - - 34 4.173 57.335 4.173 1 U 5.890E+07 0.000E+00 e 0 - - - 35 4.118 20.885 0.926 1 U 4.130E+05 0.000E+00 e 0 - - - 36 0.915 21.245 0.918 1 U 2.320E+08 0.000E+00 e 0 - - - 37 0.881 21.158 0.885 1 U 2.540E+07 0.000E+00 e 0 - - - 38 1.583 21.254 0.880 1 U 6.150E+04 0.000E+00 e 0 - - - 39 2.038 21.247 0.918 1 U 1.010E+06 0.000E+00 e 0 - - - 40 2.221 20.909 0.910 1 U 5.250E+04 0.000E+00 e 0 - - - 41 2.936 20.917 0.923 1 U 1.090E+05 0.000E+00 e 0 - - - 42 3.317 21.072 0.941 1 U 1.110E+05 0.000E+00 e 0 - - - # 43 2.731 20.804 0.933 1 U 1.270E+05 0.000E+00 e 0 - - - 44 2.682 20.774 0.925 1 U 1.310E+05 0.000E+00 e 0 - - - 45 3.733 20.793 0.939 1 U 7.030E+04 0.000E+00 e 0 - - - 46 4.867 21.178 0.917 1 U 6.810E+04 0.000E+00 e 0 - - - 47 6.428 21.104 0.933 1 U 6.960E+04 0.000E+00 e 0 - - - 48 7.326 20.918 0.932 1 U 1.370E+05 0.000E+00 e 0 - - - 49 7.264 21.286 0.920 1 U 1.110E+05 0.000E+00 e 0 - - - 50 6.960 21.047 0.907 1 U 6.400E+04 0.000E+00 e 0 - - - 51 7.941 21.245 0.917 1 U 1.530E+05 0.000E+00 e 0 - - - 52 8.180 21.194 0.919 1 U 2.780E+05 0.000E+00 e 0 - - - 53 8.060 21.137 0.933 1 U 8.980E+04 0.000E+00 e 0 - - - 54 9.326 21.169 0.915 1 U 8.220E+04 0.000E+00 e 0 - - - 55 4.116 32.675 2.044 1 U 2.310E+05 0.000E+00 e 0 - - - 56 8.175 32.711 2.046 1 U 3.310E+05 0.000E+00 e 0 - - - 57 7.929 32.687 2.052 1 U 8.150E+04 0.000E+00 e 0 - - - 58 2.047 32.715 2.046 1 U 4.530E+07 0.000E+00 e 0 - - - 59 0.924 32.724 2.047 1 U 1.190E+06 0.000E+00 e 0 - - - 60 0.921 62.598 4.090 1 U 7.620E+05 0.000E+00 e 0 - - - 61 1.919 62.611 4.094 1 U 8.780E+04 0.000E+00 e 0 - - - 62 2.043 62.608 4.091 1 U 3.190E+05 0.000E+00 e 0 - - - 63 4.091 62.601 4.091 1 U 4.050E+07 0.000E+00 e 0 - - - 64 7.940 62.609 4.090 1 U 9.960E+05 0.000E+00 e 0 - - - 65 8.191 62.631 4.093 1 U 2.150E+05 0.000E+00 e 0 - - - 66 0.913 21.071 0.913 1 U 1.650E+08 0.000E+00 e 0 - - - 67 4.466 21.311 0.920 1 U 6.460E+04 0.000E+00 e 0 - - - 68 5.523 21.374 0.931 1 U 7.040E+04 0.000E+00 e 0 - - - 69 5.465 21.353 0.932 1 U 6.680E+04 0.000E+00 e 0 - - - 70 5.956 21.216 0.912 1 U 6.050E+04 0.000E+00 e 0 - - - 71 10.018 21.113 0.905 1 U 8.700E+04 0.000E+00 e 0 - - - 72 2.049 62.544 4.153 1 U 3.190E+05 0.000E+00 e 0 - - - 73 0.919 62.541 4.153 1 U 7.340E+05 0.000E+00 e 0 - - - 74 2.773 62.507 4.155 1 U 5.590E+04 0.000E+00 e 0 - - - 75 4.153 62.533 4.153 1 U 3.740E+07 0.000E+00 e 0 - - - 76 4.864 62.531 4.152 1 U 1.910E+05 0.000E+00 e 0 - - - 77 7.228 62.534 4.156 1 U 8.310E+04 0.000E+00 e 0 - - - 78 8.185 62.549 4.153 1 U 9.260E+05 0.000E+00 e 0 - - - 79 6.880 39.162 2.765 1 U 1.510E+05 0.000E+00 e 0 - - - 80 7.707 39.146 2.763 1 U 3.360E+05 0.000E+00 e 0 - - - 81 7.578 39.146 2.764 1 U 7.900E+04 0.000E+00 e 0 - - - 82 8.152 39.139 2.765 1 U 1.800E+05 0.000E+00 e 0 - - - 83 8.319 39.138 2.764 1 U 1.670E+05 0.000E+00 e 0 - - - 84 2.764 39.118 2.765 1 U 9.780E+07 0.000E+00 e 0 - - - 85 1.445 39.113 2.768 1 U 4.140E+04 0.000E+00 e 0 - - - 86 0.924 39.106 2.766 1 U 9.650E+04 0.000E+00 e 0 - - - 87 0.565 39.137 2.773 1 U 4.650E+04 0.000E+00 e 0 - - - 88 3.856 45.455 3.858 1 U 1.560E+07 0.000E+00 e 0 - - - 89 3.951 45.456 3.854 1 U 1.520E+07 0.000E+00 e 0 - - - 90 3.856 45.457 3.952 1 U 1.530E+07 0.000E+00 e 0 - - - 91 3.950 45.455 3.947 1 U 1.860E+07 0.000E+00 e 0 - - - 92 3.158 45.421 3.951 1 U 9.090E+04 0.000E+00 e 0 - - - 93 3.153 45.478 3.866 1 U 8.310E+04 0.000E+00 e 0 - - - 94 7.226 45.451 3.962 1 U 4.900E+04 0.000E+00 e 0 - - - 95 8.219 45.471 3.951 1 U 2.500E+05 0.000E+00 e 0 - - - 96 8.220 45.452 3.854 1 U 2.140E+05 0.000E+00 e 0 - - - 97 8.326 45.447 3.952 1 U 7.730E+04 0.000E+00 e 0 - - - 98 8.326 45.472 3.854 1 U 4.950E+04 0.000E+00 e 0 - - - 99 2.938 45.510 3.949 1 U 4.970E+04 0.000E+00 e 0 - - - 100 2.950 45.417 3.854 1 U 5.890E+04 0.000E+00 e 0 - - - 101 1.874 45.467 3.948 1 U 4.060E+04 0.000E+00 e 0 - - - 102 1.819 45.466 3.945 1 U 4.320E+04 0.000E+00 e 0 - - - 103 1.412 24.820 1.407 1 U 4.440E+07 0.000E+00 e 0 - - - 104 1.816 24.801 1.407 1 U 7.050E+05 0.000E+00 e 0 - - - 105 2.979 25.086 1.471 1 U 1.720E+05 0.000E+00 e 0 - - - 106 3.983 25.143 1.474 1 U 2.590E+05 0.000E+00 e 0 - - - 107 2.977 24.724 1.405 1 U 3.570E+05 0.000E+00 e 0 - - - 108 4.141 24.737 1.405 1 U 2.090E+05 0.000E+00 e 0 - - - 109 3.534 24.496 1.401 1 U 7.860E+04 0.000E+00 e 0 - - - 110 4.308 24.883 1.406 1 U 1.990E+05 0.000E+00 e 0 - - - 111 8.331 25.086 1.470 1 U 1.560E+05 0.000E+00 e 0 - - - 112 8.326 25.091 1.399 1 U 5.140E+04 0.000E+00 e 0 - - - 113 8.339 24.916 1.411 1 U 5.740E+04 0.000E+00 e 0 - - - 114 1.648 24.787 1.406 1 U 1.070E+06 0.000E+00 e 0 - - - 115 1.391 24.706 1.404 1 U 3.270E+07 0.000E+00 e 0 - - - 116 1.450 24.983 1.463 1 U 2.450E+07 0.000E+00 e 0 - - - 117 1.633 25.160 1.472 1 U 3.270E+06 0.000E+00 e 0 - - - 118 1.951 25.146 1.472 1 U 4.900E+05 0.000E+00 e 0 - - - 119 1.865 24.843 1.524 1 U 6.550E+04 0.000E+00 e 0 - - - 120 1.465 29.153 1.688 1 U 6.700E+05 0.000E+00 e 0 - - - 121 1.680 29.106 1.680 1 U 7.140E+07 0.000E+00 e 0 - - - 122 2.978 29.374 1.682 1 U 6.980E+05 0.000E+00 e 0 - - - 123 3.981 29.245 1.688 1 U 1.340E+05 0.000E+00 e 0 - - - 124 4.104 29.250 1.683 1 U 1.030E+05 0.000E+00 e 0 - - - 125 4.349 29.553 1.672 1 U 7.260E+04 0.000E+00 e 0 - - - 126 1.825 32.600 1.830 1 U 2.230E+07 0.000E+00 e 0 - - - 127 1.771 32.785 1.769 1 U 8.570E+06 0.000E+00 e 0 - - - 128 1.794 32.624 1.791 1 U 1.270E+07 0.000E+00 e 0 - - - 129 1.420 32.566 1.833 1 U 5.690E+05 0.000E+00 e 0 - - - 130 1.410 32.527 1.790 1 U 4.870E+05 0.000E+00 e 0 - - - 131 1.275 32.729 1.810 1 U 2.210E+05 0.000E+00 e 0 - - - 132 1.233 32.624 1.809 1 U 1.770E+05 0.000E+00 e 0 - - - 133 1.089 32.732 1.811 1 U 2.130E+05 0.000E+00 e 0 - - - 134 1.579 32.730 1.810 1 U 1.770E+06 0.000E+00 e 0 - - - 135 2.963 32.609 1.795 1 U 7.220E+04 0.000E+00 e 0 - - - 136 4.142 32.508 1.786 1 U 3.400E+05 0.000E+00 e 0 - - - 137 4.141 32.507 1.842 1 U 3.570E+05 0.000E+00 e 0 - - - 138 4.074 32.684 1.711 1 U 3.090E+05 0.000E+00 e 0 - - - 139 3.936 32.862 1.760 1 U 1.100E+05 0.000E+00 e 0 - - - 140 4.313 32.656 1.822 1 U 3.150E+05 0.000E+00 e 0 - - - 141 4.451 32.878 1.762 1 U 3.190E+05 0.000E+00 e 0 - - - 142 4.422 32.758 1.815 1 U 3.560E+05 0.000E+00 e 0 - - - 143 4.450 32.876 1.848 1 U 4.220E+05 0.000E+00 e 0 - - - 144 7.314 32.774 1.809 1 U 1.130E+05 0.000E+00 e 0 - - - 145 7.725 32.693 1.928 1 U 2.860E+05 0.000E+00 e 0 - - - 146 7.645 32.687 1.931 1 U 1.380E+05 0.000E+00 e 0 - - - 147 8.341 32.648 1.905 1 U 1.130E+05 0.000E+00 e 0 - - - 148 8.338 32.617 1.824 1 U 1.530E+05 0.000E+00 e 0 - - - 149 7.886 32.783 1.810 1 U 9.100E+04 0.000E+00 e 0 - - - 150 6.869 32.699 1.815 1 U 4.510E+04 0.000E+00 e 0 - - - # 151 4.523 32.759 1.915 1 U 4.410E+04 0.000E+00 e 0 - - - 152 4.312 32.634 1.906 1 U 3.840E+05 0.000E+00 e 0 - - - 153 4.124 32.677 1.930 1 U 4.160E+05 0.000E+00 e 0 - - - 154 3.859 32.702 1.929 1 U 8.400E+04 0.000E+00 e 0 - - - 155 0.781 32.689 1.929 1 U 6.860E+05 0.000E+00 e 0 - - - 156 0.733 32.694 1.930 1 U 6.860E+05 0.000E+00 e 0 - - - 157 0.939 32.684 1.931 1 U 2.320E+05 0.000E+00 e 0 - - - 158 1.415 56.397 4.312 1 U 4.120E+05 0.000E+00 e 0 - - - 159 1.677 56.408 4.314 1 U 1.460E+05 0.000E+00 e 0 - - - 160 1.903 56.459 4.312 1 U 7.280E+05 0.000E+00 e 0 - - - 161 1.828 56.476 4.314 1 U 3.570E+05 0.000E+00 e 0 - - - 162 4.316 56.476 4.314 1 U 3.970E+07 0.000E+00 e 0 - - - 163 8.214 56.466 4.311 1 U 1.310E+05 0.000E+00 e 0 - - - 164 8.338 56.433 4.313 1 U 2.140E+05 0.000E+00 e 0 - - - 165 1.443 36.351 2.284 1 U 5.100E+04 0.000E+00 e 0 - - - 166 1.408 36.464 2.301 1 U 6.940E+04 0.000E+00 e 0 - - - 167 2.082 36.460 2.298 1 U 1.660E+06 0.000E+00 e 0 - - - 168 2.315 36.290 2.305 1 U 5.520E+07 0.000E+00 e 0 - - - 169 2.266 36.290 2.254 1 U 4.540E+07 0.000E+00 e 0 - - - 170 2.603 36.538 2.285 1 U 2.320E+06 0.000E+00 e 0 - - - 171 4.063 36.542 2.294 1 U 5.520E+05 0.000E+00 e 0 - - - 172 4.240 36.262 2.305 1 U 1.820E+05 0.000E+00 e 0 - - - 173 4.238 36.315 2.267 1 U 1.570E+05 0.000E+00 e 0 - - - 174 7.342 36.536 2.292 1 U 2.380E+05 0.000E+00 e 0 - - - 175 8.286 36.323 2.293 1 U 4.410E+04 0.000E+00 e 0 - - - 176 8.613 36.319 2.269 1 U 7.630E+04 0.000E+00 e 0 - - - 177 4.240 29.912 2.007 1 U 3.760E+05 0.000E+00 e 0 - - - 178 8.615 29.915 2.005 1 U 1.470E+05 0.000E+00 e 0 - - - 179 9.180 29.872 2.015 1 U 4.370E+04 0.000E+00 e 0 - - - 180 2.276 29.935 2.006 1 U 9.230E+05 0.000E+00 e 0 - - - 181 2.007 29.889 2.009 1 U 1.760E+07 0.000E+00 e 0 - - - 182 2.281 29.931 2.093 1 U 1.500E+06 0.000E+00 e 0 - - - 183 2.603 29.871 2.071 1 U 5.340E+05 0.000E+00 e 0 - - - 184 4.062 29.869 2.070 1 U 9.080E+05 0.000E+00 e 0 - - - 185 4.240 29.931 2.101 1 U 4.230E+05 0.000E+00 e 0 - - - 186 4.506 29.875 2.065 1 U 9.750E+04 0.000E+00 e 0 - - - 187 7.342 29.875 2.069 1 U 7.410E+05 0.000E+00 e 0 - - - 188 7.579 29.863 2.071 1 U 2.130E+05 0.000E+00 e 0 - - - 189 6.308 29.907 2.053 1 U 4.680E+04 0.000E+00 e 0 - - - 190 8.616 29.931 2.100 1 U 1.410E+05 0.000E+00 e 0 - - - 191 1.390 29.864 2.070 1 U 1.550E+05 0.000E+00 e 0 - - - 192 0.828 29.896 2.101 1 U 4.880E+04 0.000E+00 e 0 - - - 193 0.734 57.447 4.247 1 U 5.250E+04 0.000E+00 e 0 - - - 194 1.423 57.246 4.238 1 U 7.820E+04 0.000E+00 e 0 - - - 195 2.007 57.362 4.238 1 U 5.950E+05 0.000E+00 e 0 - - - 196 2.090 57.414 4.239 1 U 6.780E+05 0.000E+00 e 0 - - - 197 2.279 57.438 4.240 1 U 2.870E+05 0.000E+00 e 0 - - - 198 4.173 57.414 4.175 1 U 5.200E+07 0.000E+00 e 0 - - - 199 8.616 57.476 4.238 1 U 2.030E+05 0.000E+00 e 0 - - - 200 8.337 57.468 4.239 1 U 3.180E+05 0.000E+00 e 0 - - - 201 8.266 57.414 4.242 1 U 1.050E+05 0.000E+00 e 0 - - - 202 0.928 41.687 2.683 1 U 1.040E+05 0.000E+00 e 0 - - - 203 2.692 41.599 2.690 1 U 1.940E+07 0.000E+00 e 0 - - - 204 4.633 41.681 2.744 1 U 3.170E+05 0.000E+00 e 0 - - - 205 8.481 41.666 2.686 1 U 1.620E+05 0.000E+00 e 0 - - - 206 8.614 41.679 2.684 1 U 1.800E+05 0.000E+00 e 0 - - - 207 8.480 41.683 2.749 1 U 1.340E+05 0.000E+00 e 0 - - - 208 8.617 41.705 2.744 1 U 1.180E+05 0.000E+00 e 0 - - - 209 4.636 41.599 2.687 1 U 3.760E+05 0.000E+00 e 0 - - - 210 2.727 41.677 2.747 1 U 1.030E+07 0.000E+00 e 0 - - - 211 2.683 41.599 2.745 1 U 1.030E+07 0.000E+00 e 0 - - - 212 2.743 41.599 2.685 1 U 1.450E+07 0.000E+00 e 0 - - - 213 0.926 41.669 2.750 1 U 1.100E+05 0.000E+00 e 0 - - - 214 2.751 53.559 4.633 1 U 1.160E+06 0.000E+00 e 0 - - - 215 2.868 53.560 4.639 1 U 6.710E+05 0.000E+00 e 0 - - - 216 2.704 53.549 4.633 1 U 9.220E+05 0.000E+00 e 0 - - - 217 4.637 53.561 4.634 1 U 2.540E+07 0.000E+00 e 0 - - - 218 8.483 53.583 4.630 1 U 2.690E+05 0.000E+00 e 0 - - - 219 8.616 53.544 4.630 1 U 4.250E+05 0.000E+00 e 0 - - - 220 7.635 40.690 3.157 1 U 2.240E+05 0.000E+00 e 0 - - - 221 7.637 40.705 2.954 1 U 4.240E+05 0.000E+00 e 0 - - - 222 8.485 40.720 3.156 1 U 1.370E+05 0.000E+00 e 0 - - - 223 8.472 40.771 2.953 1 U 6.640E+04 0.000E+00 e 0 - - - 224 7.221 40.696 3.157 1 U 3.240E+05 0.000E+00 e 0 - - - 225 7.224 40.692 2.952 1 U 3.780E+05 0.000E+00 e 0 - - - 226 4.864 40.699 3.156 1 U 5.270E+05 0.000E+00 e 0 - - - 227 4.862 40.695 2.951 1 U 3.420E+05 0.000E+00 e 0 - - - 228 3.851 40.686 3.157 1 U 1.120E+05 0.000E+00 e 0 - - - 229 3.859 40.799 2.952 1 U 4.850E+04 0.000E+00 e 0 - - - 230 3.157 40.697 3.156 1 U 1.350E+07 0.000E+00 e 0 - - - 231 3.156 40.700 2.951 1 U 4.470E+06 0.000E+00 e 0 - - - 232 2.954 40.699 3.158 1 U 4.750E+06 0.000E+00 e 0 - - - 233 2.954 40.699 2.954 1 U 1.340E+07 0.000E+00 e 0 - - - # 234 2.378 40.628 3.152 1 U 4.520E+04 0.000E+00 e 0 - - - # 235 2.372 40.685 2.962 1 U 4.210E+04 0.000E+00 e 0 - - - 236 2.045 40.680 2.951 1 U 5.380E+04 0.000E+00 e 0 - - - 237 0.938 40.728 3.160 1 U 5.350E+04 0.000E+00 e 0 - - - 238 8.478 56.317 4.865 1 U 5.910E+05 0.000E+00 e 0 - - - 239 8.171 56.417 4.868 1 U 1.030E+05 0.000E+00 e 0 - - - 240 7.643 56.335 4.865 1 U 3.660E+05 0.000E+00 e 0 - - - 241 7.227 56.317 4.863 1 U 2.860E+05 0.000E+00 e 0 - - - 242 4.863 56.323 4.865 1 U 1.450E+07 0.000E+00 e 0 - - - 243 4.152 56.339 4.863 1 U 1.870E+05 0.000E+00 e 0 - - - 244 3.156 56.334 4.864 1 U 6.860E+05 0.000E+00 e 0 - - - 245 2.955 56.285 4.866 1 U 3.680E+05 0.000E+00 e 0 - - - 246 0.919 56.326 4.868 1 U 1.360E+05 0.000E+00 e 0 - - - # 247 0.773 56.418 4.862 1 U 1.030E+05 0.000E+00 e 0 - - - 248 0.713 56.296 4.855 1 U 7.630E+04 0.000E+00 e 0 - - - 249 0.720 19.873 0.719 1 U 7.410E+07 0.000E+00 e 0 - - - 250 0.957 19.871 0.720 1 U 6.060E+05 0.000E+00 e 0 - - - 251 1.022 19.873 0.720 1 U 5.240E+05 0.000E+00 e 0 - - - # 252 1.763 19.912 0.722 1 U 7.790E+04 0.000E+00 e 0 - - - 253 1.927 19.870 0.719 1 U 1.370E+06 0.000E+00 e 0 - - - 254 2.047 19.866 0.719 1 U 3.980E+05 0.000E+00 e 0 - - - 255 2.378 19.884 0.720 1 U 2.440E+05 0.000E+00 e 0 - - - 256 2.672 19.887 0.721 1 U 1.360E+05 0.000E+00 e 0 - - - 257 2.971 19.882 0.720 1 U 2.330E+05 0.000E+00 e 0 - - - # 258 3.136 19.923 0.719 1 U 8.350E+04 0.000E+00 e 0 - - - 259 3.744 19.854 0.710 1 U 6.890E+04 0.000E+00 e 0 - - - 260 3.859 19.884 0.720 1 U 2.070E+05 0.000E+00 e 0 - - - 261 4.124 19.871 0.720 1 U 5.990E+05 0.000E+00 e 0 - - - 262 4.260 19.888 0.719 1 U 1.970E+05 0.000E+00 e 0 - - - 263 4.538 19.874 0.720 1 U 2.000E+05 0.000E+00 e 0 - - - 264 4.887 19.876 0.719 1 U 4.090E+05 0.000E+00 e 0 - - - 265 7.088 19.886 0.722 1 U 6.200E+04 0.000E+00 e 0 - - - 266 7.229 19.872 0.720 1 U 1.310E+05 0.000E+00 e 0 - - - 267 7.725 19.868 0.719 1 U 9.680E+05 0.000E+00 e 0 - - - 268 7.659 19.876 0.721 1 U 2.360E+05 0.000E+00 e 0 - - - 269 8.138 19.834 0.719 1 U 9.030E+04 0.000E+00 e 0 - - - 270 8.718 19.872 0.720 1 U 2.040E+05 0.000E+00 e 0 - - - 271 1.885 32.611 1.899 1 U 1.180E+07 0.000E+00 e 0 - - - 272 1.935 32.688 1.930 1 U 1.290E+07 0.000E+00 e 0 - - - 273 1.429 32.636 1.904 1 U 2.960E+05 0.000E+00 e 0 - - - 274 8.260 62.013 4.139 1 U 4.940E+05 0.000E+00 e 0 - - - 275 8.490 62.050 4.138 1 U 1.220E+05 0.000E+00 e 0 - - - 276 7.948 62.023 4.138 1 U 1.580E+05 0.000E+00 e 0 - - - 277 7.639 62.123 4.124 1 U 6.200E+05 0.000E+00 e 0 - - - 278 7.724 62.120 4.123 1 U 3.930E+05 0.000E+00 e 0 - - - 279 4.875 62.143 4.124 1 U 5.960E+04 0.000E+00 e 0 - - - 280 4.130 62.096 4.131 1 U 2.560E+07 0.000E+00 e 0 - - - 281 2.337 62.006 4.142 1 U 8.700E+04 0.000E+00 e 0 - - - 282 2.150 62.142 4.121 1 U 1.460E+05 0.000E+00 e 0 - - - 283 1.928 62.116 4.124 1 U 7.840E+05 0.000E+00 e 0 - - - 284 1.839 62.007 4.139 1 U 1.180E+06 0.000E+00 e 0 - - - 285 2.002 62.070 4.131 1 U 1.940E+05 0.000E+00 e 0 - - - 286 1.321 62.006 4.139 1 U 5.190E+05 0.000E+00 e 0 - - - 287 1.172 62.005 4.138 1 U 1.950E+05 0.000E+00 e 0 - - - 288 0.734 62.034 4.135 1 U 1.270E+06 0.000E+00 e 0 - - - 289 0.784 62.070 4.128 1 U 9.860E+05 0.000E+00 e 0 - - - 290 4.534 27.980 2.176 1 U 1.420E+05 0.000E+00 e 0 - - - 291 4.535 27.972 2.020 1 U 2.380E+05 0.000E+00 e 0 - - - 292 4.276 28.081 2.147 1 U 1.310E+05 0.000E+00 e 0 - - - 293 4.271 28.089 1.998 1 U 2.210E+05 0.000E+00 e 0 - - - 294 4.125 28.096 2.148 1 U 1.000E+05 0.000E+00 e 0 - - - 295 4.116 27.973 1.995 1 U 5.700E+04 0.000E+00 e 0 - - - 296 3.987 27.951 2.176 1 U 4.910E+05 0.000E+00 e 0 - - - 297 3.988 27.951 2.023 1 U 5.820E+05 0.000E+00 e 0 - - - 298 3.860 28.110 2.146 1 U 8.440E+05 0.000E+00 e 0 - - - 299 3.860 28.108 1.998 1 U 6.120E+05 0.000E+00 e 0 - - - 300 3.670 27.955 2.175 1 U 6.660E+05 0.000E+00 e 0 - - - 301 3.670 27.939 2.021 1 U 3.670E+05 0.000E+00 e 0 - - - 302 7.480 28.123 2.141 1 U 7.670E+04 0.000E+00 e 0 - - - 303 8.143 27.965 2.022 1 U 5.540E+04 0.000E+00 e 0 - - - 304 8.494 27.992 2.026 1 U 1.410E+05 0.000E+00 e 0 - - - 305 8.498 28.176 2.380 1 U 7.500E+04 0.000E+00 e 0 - - - 306 2.395 28.101 2.147 1 U 5.830E+05 0.000E+00 e 0 - - - 307 2.345 27.971 2.175 1 U 8.760E+05 0.000E+00 e 0 - - - 308 2.375 28.006 2.026 1 U 3.510E+06 0.000E+00 e 0 - - - 309 2.172 27.967 2.173 1 U 1.170E+07 0.000E+00 e 0 - - - 310 2.143 27.992 2.152 1 U 8.770E+06 0.000E+00 e 0 - - - 311 2.019 27.993 2.021 1 U 1.670E+07 0.000E+00 e 0 - - - 312 2.019 27.974 2.172 1 U 4.150E+06 0.000E+00 e 0 - - - 313 1.996 28.091 2.147 1 U 3.760E+06 0.000E+00 e 0 - - - 314 1.866 27.953 2.176 1 U 8.400E+05 0.000E+00 e 0 - - - 315 1.868 27.939 2.020 1 U 1.140E+06 0.000E+00 e 0 - - - 316 0.975 27.932 2.171 1 U 1.350E+05 0.000E+00 e 0 - - - 317 0.940 28.156 2.145 1 U 1.150E+05 0.000E+00 e 0 - - - # 318 0.975 27.980 2.023 1 U 2.570E+05 0.000E+00 e 0 - - - 319 0.772 28.023 2.153 1 U 5.810E+04 0.000E+00 e 0 - - - 320 0.773 27.987 1.996 1 U 5.660E+04 0.000E+00 e 0 - - - 321 0.974 50.801 3.986 1 U 4.340E+05 0.000E+00 e 0 - - - 322 0.978 50.815 3.669 1 U 4.570E+05 0.000E+00 e 0 - - - 323 1.525 50.796 3.986 1 U 2.480E+05 0.000E+00 e 0 - - - 324 1.525 50.800 3.670 1 U 5.880E+05 0.000E+00 e 0 - - - 325 1.760 50.808 3.988 1 U 1.300E+05 0.000E+00 e 0 - - - 326 1.766 50.817 3.670 1 U 1.820E+05 0.000E+00 e 0 - - - 327 1.871 50.807 3.988 1 U 2.520E+05 0.000E+00 e 0 - - - 328 2.020 50.807 3.986 1 U 6.380E+05 0.000E+00 e 0 - - - 329 1.881 50.797 3.673 1 U 4.410E+05 0.000E+00 e 0 - - - 330 2.017 50.804 3.670 1 U 4.470E+05 0.000E+00 e 0 - - - 331 2.174 50.814 3.986 1 U 4.620E+05 0.000E+00 e 0 - - - 332 2.175 50.804 3.670 1 U 7.110E+05 0.000E+00 e 0 - - - 333 2.346 50.774 3.983 1 U 1.390E+05 0.000E+00 e 0 - - - 334 2.340 50.779 3.668 1 U 1.290E+05 0.000E+00 e 0 - - - 335 3.524 50.943 3.937 1 U 2.760E+06 0.000E+00 e 0 - - - 336 3.671 50.804 3.987 1 U 3.320E+06 0.000E+00 e 0 - - - 337 3.678 50.797 3.675 1 U 1.070E+07 0.000E+00 e 0 - - - 338 3.713 50.810 3.713 1 U 2.770E+07 0.000E+00 e 0 - - - 339 3.860 50.664 3.860 1 U 1.520E+07 0.000E+00 e 0 - - - 340 3.987 50.810 3.986 1 U 7.670E+06 0.000E+00 e 0 - - - 341 3.939 50.938 3.938 1 U 5.910E+06 0.000E+00 e 0 - - - 342 4.121 50.655 3.861 1 U 2.700E+05 0.000E+00 e 0 - - - 343 3.987 50.807 3.670 1 U 3.380E+06 0.000E+00 e 0 - - - 344 4.351 50.946 3.938 1 U 1.170E+06 0.000E+00 e 0 - - - 345 4.356 50.848 3.712 1 U 1.190E+05 0.000E+00 e 0 - - - 346 7.477 50.662 3.859 1 U 2.450E+05 0.000E+00 e 0 - - - 347 7.739 50.877 3.989 1 U 6.050E+04 0.000E+00 e 0 - - - 348 7.746 50.740 3.664 1 U 5.500E+04 0.000E+00 e 0 - - - 349 9.050 50.714 3.861 1 U 8.240E+04 0.000E+00 e 0 - - - 350 7.726 32.258 2.341 1 U 1.810E+05 0.000E+00 e 0 - - - 351 7.728 32.313 1.862 1 U 1.260E+05 0.000E+00 e 0 - - - 352 2.340 32.341 2.339 1 U 9.490E+06 0.000E+00 e 0 - - - 353 2.176 32.251 2.340 1 U 7.880E+05 0.000E+00 e 0 - - - 354 2.175 32.236 1.866 1 U 6.480E+05 0.000E+00 e 0 - - - 355 2.019 32.247 1.865 1 U 1.150E+06 0.000E+00 e 0 - - - 356 1.848 32.274 1.853 1 U 1.360E+07 0.000E+00 e 0 - - - 357 0.978 32.257 1.863 1 U 9.610E+04 0.000E+00 e 0 - - - 358 0.972 32.275 2.341 1 U 1.560E+05 0.000E+00 e 0 - - - 359 1.865 32.264 2.341 1 U 2.670E+06 0.000E+00 e 0 - - - 360 2.022 32.254 2.340 1 U 7.340E+05 0.000E+00 e 0 - - - 361 2.341 32.263 1.865 1 U 2.340E+06 0.000E+00 e 0 - - - 362 3.671 32.224 1.866 1 U 2.320E+05 0.000E+00 e 0 - - - 363 3.674 32.266 2.342 1 U 1.470E+05 0.000E+00 e 0 - - - 364 3.987 32.253 2.339 1 U 1.240E+05 0.000E+00 e 0 - - - 365 3.988 32.233 1.869 1 U 1.570E+05 0.000E+00 e 0 - - - 366 4.534 32.254 2.341 1 U 8.200E+05 0.000E+00 e 0 - - - 367 4.534 32.272 1.865 1 U 3.310E+05 0.000E+00 e 0 - - - # 368 4.888 32.285 2.341 1 U 5.180E+04 0.000E+00 e 0 - - - # 369 4.878 32.266 1.866 1 U 5.080E+04 0.000E+00 e 0 - - - 370 7.725 63.665 4.532 1 U 1.680E+06 0.000E+00 e 0 - - - 371 4.888 63.662 4.532 1 U 1.100E+06 0.000E+00 e 0 - - - 372 4.534 63.662 4.532 1 U 9.480E+06 0.000E+00 e 0 - - - 373 2.341 63.661 4.532 1 U 9.160E+05 0.000E+00 e 0 - - - 374 2.025 63.646 4.532 1 U 2.840E+05 0.000E+00 e 0 - - - 375 2.164 63.634 4.532 1 U 1.470E+05 0.000E+00 e 0 - - - 376 1.864 63.659 4.531 1 U 4.270E+05 0.000E+00 e 0 - - - 377 0.977 63.665 4.532 1 U 8.170E+05 0.000E+00 e 0 - - - 378 0.720 63.730 4.534 1 U 1.630E+05 0.000E+00 e 0 - - - 379 8.715 63.707 4.531 1 U 1.560E+05 0.000E+00 e 0 - - - 380 7.754 27.355 1.884 1 U 1.960E+05 0.000E+00 e 0 - - - 381 4.358 27.313 1.917 1 U 1.240E+05 0.000E+00 e 0 - - - 382 3.938 27.603 1.922 1 U 2.300E+05 0.000E+00 e 0 - - - 383 3.713 27.251 1.953 1 U 6.680E+05 0.000E+00 e 0 - - - 384 3.711 27.237 1.917 1 U 6.390E+05 0.000E+00 e 0 - - - 385 3.523 27.621 1.921 1 U 3.680E+05 0.000E+00 e 0 - - - 386 1.885 27.349 1.886 1 U 1.050E+07 0.000E+00 e 0 - - - 387 1.527 27.402 1.884 1 U 2.770E+05 0.000E+00 e 0 - - - 388 0.982 27.367 1.885 1 U 9.110E+05 0.000E+00 e 0 - - - 389 0.967 23.373 0.966 1 U 9.710E+07 0.000E+00 e 0 - - - 390 1.526 23.372 0.967 1 U 6.230E+05 0.000E+00 e 0 - - - 391 1.763 23.396 0.966 1 U 3.630E+05 0.000E+00 e 0 - - - 392 1.884 23.368 0.967 1 U 1.560E+06 0.000E+00 e 0 - - - 393 1.993 23.433 0.965 1 U 1.020E+05 0.000E+00 e 0 - - - 394 2.168 23.322 0.968 1 U 1.060E+05 0.000E+00 e 0 - - - # 395 2.352 23.321 0.970 1 U 6.220E+04 0.000E+00 e 0 - - - 396 2.775 23.363 0.968 1 U 1.730E+05 0.000E+00 e 0 - - - 397 3.102 23.383 0.966 1 U 9.800E+04 0.000E+00 e 0 - - - 398 3.342 23.288 0.978 1 U 6.000E+04 0.000E+00 e 0 - - - 399 3.671 23.368 0.967 1 U 4.390E+05 0.000E+00 e 0 - - - 400 3.988 23.387 0.967 1 U 4.090E+05 0.000E+00 e 0 - - - 401 7.756 23.385 0.969 1 U 1.160E+05 0.000E+00 e 0 - - - 402 1.008 25.370 1.008 1 U 1.670E+08 0.000E+00 e 0 - - - 403 1.524 25.329 1.008 1 U 8.660E+05 0.000E+00 e 0 - - - 404 1.769 25.398 1.010 1 U 1.860E+06 0.000E+00 e 0 - - - 405 1.883 25.345 1.009 1 U 1.690E+06 0.000E+00 e 0 - - - 406 2.274 25.490 1.011 1 U 6.390E+05 0.000E+00 e 0 - - - 407 2.776 25.317 1.007 1 U 5.670E+05 0.000E+00 e 0 - - - 408 2.979 25.488 1.010 1 U 5.470E+05 0.000E+00 e 0 - - - 409 3.091 25.356 1.008 1 U 5.070E+05 0.000E+00 e 0 - - - 410 3.228 25.472 1.013 1 U 3.060E+05 0.000E+00 e 0 - - - 411 3.675 25.309 1.007 1 U 2.740E+05 0.000E+00 e 0 - - - 412 3.333 25.323 1.010 1 U 1.220E+05 0.000E+00 e 0 - - - 413 3.859 25.484 1.012 1 U 4.720E+05 0.000E+00 e 0 - - - 414 3.984 25.344 1.006 1 U 1.920E+05 0.000E+00 e 0 - - - 415 4.261 25.482 1.011 1 U 5.100E+05 0.000E+00 e 0 - - - 416 4.376 25.310 1.009 1 U 1.700E+05 0.000E+00 e 0 - - - 417 4.600 25.470 1.010 1 U 1.960E+05 0.000E+00 e 0 - - - 418 4.566 25.551 0.976 1 U 7.100E+04 0.000E+00 e 0 - - - 419 7.474 25.349 1.010 1 U 1.130E+05 0.000E+00 e 0 - - - 420 7.366 25.445 1.012 1 U 6.280E+04 0.000E+00 e 0 - - - # 421 7.625 25.333 1.014 1 U 5.720E+04 0.000E+00 e 0 - - - 422 7.746 25.323 1.009 1 U 1.910E+05 0.000E+00 e 0 - - - 423 8.081 25.454 1.013 1 U 1.470E+05 0.000E+00 e 0 - - - # 424 8.720 25.413 1.012 1 U 8.010E+04 0.000E+00 e 0 - - - 425 9.053 25.506 1.012 1 U 2.120E+05 0.000E+00 e 0 - - - 426 7.755 41.240 1.765 1 U 3.340E+05 0.000E+00 e 0 - - - 427 7.753 41.246 1.524 1 U 1.660E+05 0.000E+00 e 0 - - - 428 3.984 41.324 1.759 1 U 5.940E+04 0.000E+00 e 0 - - - 429 3.990 41.273 1.532 1 U 2.000E+05 0.000E+00 e 0 - - - 430 3.670 41.190 1.766 1 U 9.400E+04 0.000E+00 e 0 - - - 431 3.669 41.238 1.524 1 U 3.750E+05 0.000E+00 e 0 - - - 432 3.094 41.247 1.765 1 U 1.050E+05 0.000E+00 e 0 - - - 433 3.100 41.288 1.526 1 U 6.120E+04 0.000E+00 e 0 - - - 434 2.987 41.158 1.759 1 U 4.930E+04 0.000E+00 e 0 - - - # 435 2.980 41.279 1.523 1 U 4.290E+04 0.000E+00 e 0 - - - 436 2.777 41.218 1.765 1 U 1.370E+05 0.000E+00 e 0 - - - 437 2.777 41.240 1.521 1 U 9.120E+04 0.000E+00 e 0 - - - 438 1.764 41.235 1.765 1 U 3.970E+06 0.000E+00 e 0 - - - 439 1.763 41.243 1.524 1 U 2.150E+06 0.000E+00 e 0 - - - 440 1.527 41.247 1.526 1 U 6.130E+06 0.000E+00 e 0 - - - 441 0.999 41.253 1.765 1 U 4.270E+05 0.000E+00 e 0 - - - 442 1.529 27.705 1.544 1 U 9.960E+06 0.000E+00 e 0 - - - 443 1.526 27.702 1.515 1 U 1.050E+07 0.000E+00 e 0 - - - 444 2.131 27.510 1.545 1 U 3.800E+05 0.000E+00 e 0 - - - 445 2.134 27.536 1.517 1 U 4.090E+05 0.000E+00 e 0 - - - 446 3.212 27.696 1.545 1 U 2.670E+05 0.000E+00 e 0 - - - 447 3.199 27.693 1.514 1 U 2.800E+05 0.000E+00 e 0 - - - 448 4.173 27.700 1.544 1 U 1.820E+05 0.000E+00 e 0 - - - 449 4.173 27.687 1.515 1 U 2.000E+05 0.000E+00 e 0 - - - 450 7.952 27.678 1.550 1 U 1.240E+05 0.000E+00 e 0 - - - 451 7.947 27.697 1.515 1 U 1.440E+05 0.000E+00 e 0 - - - 452 1.532 43.193 3.235 1 U 6.610E+05 0.000E+00 e 0 - - - 453 1.536 43.224 3.173 1 U 7.230E+05 0.000E+00 e 0 - - - 454 2.129 43.193 3.236 1 U 3.240E+05 0.000E+00 e 0 - - - 455 2.135 43.189 3.175 1 U 3.170E+05 0.000E+00 e 0 - - - 456 3.214 43.197 3.234 1 U 1.900E+07 0.000E+00 e 0 - - - 457 3.185 43.236 3.173 1 U 2.160E+07 0.000E+00 e 0 - - - 458 4.172 43.203 3.234 1 U 1.330E+05 0.000E+00 e 0 - - - 459 4.173 43.207 3.173 1 U 1.120E+05 0.000E+00 e 0 - - - 460 7.951 43.185 3.171 1 U 7.820E+04 0.000E+00 e 0 - - - 461 7.947 43.153 3.241 1 U 6.410E+04 0.000E+00 e 0 - - - 462 2.137 26.940 2.156 1 U 5.360E+06 0.000E+00 e 0 - - - 463 2.134 26.942 2.110 1 U 5.380E+06 0.000E+00 e 0 - - - 464 1.532 27.118 2.154 1 U 3.140E+05 0.000E+00 e 0 - - - 465 1.528 27.155 2.111 1 U 2.560E+05 0.000E+00 e 0 - - - 466 3.179 26.993 2.156 1 U 1.070E+05 0.000E+00 e 0 - - - 467 3.192 26.912 2.108 1 U 8.450E+04 0.000E+00 e 0 - - - 468 4.173 26.942 2.155 1 U 2.990E+05 0.000E+00 e 0 - - - 469 4.173 26.949 2.110 1 U 3.230E+05 0.000E+00 e 0 - - - 470 3.746 26.874 2.161 1 U 5.950E+04 0.000E+00 e 0 - - - 471 7.950 27.007 2.113 1 U 6.810E+04 0.000E+00 e 0 - - - 472 7.953 26.959 2.152 1 U 8.090E+04 0.000E+00 e 0 - - - 473 0.976 26.911 2.158 1 U 6.970E+04 0.000E+00 e 0 - - - 474 0.964 27.051 2.124 1 U 4.810E+04 0.000E+00 e 0 - - - 475 1.537 57.898 4.169 1 U 4.890E+05 0.000E+00 e 0 - - - 476 0.975 57.870 4.165 1 U 2.340E+05 0.000E+00 e 0 - - - 477 0.547 57.897 4.130 1 U 2.140E+05 0.000E+00 e 0 - - - 478 0.836 57.902 4.130 1 U 2.860E+05 0.000E+00 e 0 - - - 479 0.938 57.890 4.131 1 U 3.970E+05 0.000E+00 e 0 - - - 480 1.047 57.898 4.130 1 U 1.090E+06 0.000E+00 e 0 - - - 481 1.407 57.748 4.140 1 U 4.240E+05 0.000E+00 e 0 - - - 482 1.286 57.808 4.130 1 U 8.610E+04 0.000E+00 e 0 - - - 483 1.560 57.892 4.131 1 U 6.820E+05 0.000E+00 e 0 - - - 484 1.725 57.859 4.132 1 U 3.900E+05 0.000E+00 e 0 - - - 485 1.822 57.754 4.140 1 U 7.830E+05 0.000E+00 e 0 - - - 486 2.124 57.906 4.173 1 U 8.520E+05 0.000E+00 e 0 - - - 487 3.120 57.887 4.171 1 U 1.410E+05 0.000E+00 e 0 - - - 488 3.220 57.884 4.177 1 U 1.330E+05 0.000E+00 e 0 - 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- - 1299 1.658 13.932 0.833 1 U 1.610E+06 0.000E+00 e 0 - - - 1300 1.569 13.932 0.833 1 U 9.810E+05 0.000E+00 e 0 - - - 1301 3.138 13.907 0.833 1 U 1.330E+05 0.000E+00 e 0 - - - 1302 2.684 13.933 0.832 1 U 8.510E+04 0.000E+00 e 0 - - - 1303 1.747 13.920 0.834 1 U 3.460E+05 0.000E+00 e 0 - - - 1304 1.360 13.910 0.835 1 U 1.770E+05 0.000E+00 e 0 - - - 1305 0.833 13.929 0.833 1 U 5.200E+07 0.000E+00 e 0 - - - 1306 0.715 13.931 0.833 1 U 3.480E+06 0.000E+00 e 0 - - - 1307 0.508 13.888 0.836 1 U 1.080E+05 0.000E+00 e 0 - - - 1308 0.220 13.958 0.837 1 U 1.050E+05 0.000E+00 e 0 - - - 1309 4.633 13.923 0.831 1 U 2.110E+05 0.000E+00 e 0 - - - 1310 4.976 13.925 0.831 1 U 1.690E+05 0.000E+00 e 0 - - - 1311 4.809 14.013 0.840 1 U 6.260E+04 0.000E+00 e 0 - - - 1312 7.859 13.958 0.838 1 U 5.320E+04 0.000E+00 e 0 - - - 1313 8.088 13.924 0.834 1 U 7.730E+04 0.000E+00 e 0 - - - 1314 8.230 13.920 0.838 1 U 5.670E+04 0.000E+00 e 0 - - - 1315 8.593 13.946 0.835 1 U 1.080E+05 0.000E+00 e 0 - - - # 1316 9.049 13.909 0.833 1 U 6.730E+04 0.000E+00 e 0 - 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- - 1605 4.452 27.686 1.747 1 U 1.200E+05 0.000E+00 e 0 - - - 1606 3.525 50.942 3.525 1 U 6.040E+06 0.000E+00 e 0 - - - 1607 3.938 50.945 3.525 1 U 2.490E+06 0.000E+00 e 0 - - - 1608 4.351 50.949 3.525 1 U 6.820E+05 0.000E+00 e 0 - - - 1609 1.919 50.924 3.937 1 U 3.750E+05 0.000E+00 e 0 - - - 1610 1.919 50.939 3.525 1 U 4.350E+05 0.000E+00 e 0 - - - 1611 1.743 50.940 3.937 1 U 6.400E+05 0.000E+00 e 0 - - - 1612 1.747 50.943 3.525 1 U 5.320E+05 0.000E+00 e 0 - - - 1613 1.323 50.940 3.940 1 U 5.990E+04 0.000E+00 e 0 - - - # 1614 1.396 50.945 3.937 1 U 6.960E+04 0.000E+00 e 0 - - - 1615 1.313 50.937 3.526 1 U 1.200E+05 0.000E+00 e 0 - - - # 1616 1.397 50.925 3.529 1 U 8.930E+04 0.000E+00 e 0 - - - 1617 7.914 50.899 3.938 1 U 5.040E+04 0.000E+00 e 0 - - - 1618 7.271 50.943 3.939 1 U 5.150E+04 0.000E+00 e 0 - - - 1619 7.317 32.710 1.575 1 U 7.820E+04 0.000E+00 e 0 - - - 1620 7.878 32.698 1.573 1 U 1.310E+05 0.000E+00 e 0 - - - 1621 9.051 32.913 1.848 1 U 1.170E+05 0.000E+00 e 0 - - - 1622 9.053 32.907 1.759 1 U 1.550E+05 0.000E+00 e 0 - 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- - 1641 7.322 62.813 4.453 1 U 7.150E+04 0.000E+00 e 0 - - - 1642 8.090 62.927 4.462 1 U 6.170E+04 0.000E+00 e 0 - - - 1643 9.052 62.834 4.454 1 U 1.470E+06 0.000E+00 e 0 - - - 1644 7.892 33.507 1.798 1 U 1.350E+05 0.000E+00 e 0 - - - 1645 7.889 33.519 1.717 1 U 1.430E+05 0.000E+00 e 0 - - - 1646 4.352 33.499 1.799 1 U 2.580E+05 0.000E+00 e 0 - - - 1647 4.351 33.512 1.720 1 U 2.470E+05 0.000E+00 e 0 - - - 1648 3.939 33.416 1.803 1 U 8.390E+04 0.000E+00 e 0 - - - 1649 3.940 33.626 1.729 1 U 5.470E+04 0.000E+00 e 0 - - - 1650 3.940 33.435 1.713 1 U 5.380E+04 0.000E+00 e 0 - - - 1651 3.526 33.499 1.797 1 U 1.070E+05 0.000E+00 e 0 - - - 1652 3.533 33.556 1.727 1 U 6.560E+04 0.000E+00 e 0 - - - 1653 2.995 33.500 1.807 1 U 4.180E+04 0.000E+00 e 0 - - - 1654 2.991 33.513 1.719 1 U 4.950E+04 0.000E+00 e 0 - - - 1655 1.794 33.459 1.799 1 U 6.650E+06 0.000E+00 e 0 - - - 1656 1.791 33.511 1.724 1 U 4.120E+06 0.000E+00 e 0 - - - 1657 1.724 33.511 1.798 1 U 4.170E+06 0.000E+00 e 0 - - - 1658 1.724 33.471 1.721 1 U 5.670E+06 0.000E+00 e 0 - - - 1659 1.399 33.474 1.799 1 U 2.300E+05 0.000E+00 e 0 - - - 1660 1.399 33.479 1.719 1 U 1.960E+05 0.000E+00 e 0 - - - 1661 1.311 33.499 1.798 1 U 1.570E+05 0.000E+00 e 0 - - - 1662 1.316 33.497 1.720 1 U 1.980E+05 0.000E+00 e 0 - - - # 1663 0.978 33.484 1.799 1 U 9.430E+04 0.000E+00 e 0 - - - 1664 0.976 33.469 1.727 1 U 8.690E+04 0.000E+00 e 0 - - - 1665 1.784 54.649 4.351 1 U 3.950E+05 0.000E+00 e 0 - - - 1666 1.725 54.655 4.351 1 U 4.180E+05 0.000E+00 e 0 - - - 1667 1.396 54.673 4.352 1 U 1.380E+05 0.000E+00 e 0 - - - 1668 1.310 54.662 4.353 1 U 1.580E+05 0.000E+00 e 0 - - - 1669 3.526 54.649 4.350 1 U 5.860E+05 0.000E+00 e 0 - - - 1670 3.938 54.650 4.351 1 U 1.000E+06 0.000E+00 e 0 - - - 1671 7.323 54.672 4.355 1 U 5.280E+04 0.000E+00 e 0 - - - 1672 7.873 25.073 1.293 1 U 4.990E+04 0.000E+00 e 0 - - - 1673 0.972 25.173 1.224 1 U 2.960E+05 0.000E+00 e 0 - - - 1674 1.089 42.002 2.680 1 U 1.870E+05 0.000E+00 e 0 - - - 1675 1.087 42.046 2.611 1 U 1.800E+05 0.000E+00 e 0 - - - 1676 1.237 42.013 2.679 1 U 3.310E+05 0.000E+00 e 0 - 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- - 1695 3.452 55.400 4.415 1 U 2.500E+05 0.000E+00 e 0 - - - 1696 3.899 55.382 4.415 1 U 1.180E+05 0.000E+00 e 0 - - - 1697 4.417 55.406 4.415 1 U 9.540E+06 0.000E+00 e 0 - - - 1698 7.316 55.441 4.416 1 U 1.310E+05 0.000E+00 e 0 - - - 1699 7.886 55.413 4.416 1 U 3.460E+05 0.000E+00 e 0 - - - 1700 8.327 38.506 2.868 1 U 8.280E+04 0.000E+00 e 0 - - - 1701 8.303 38.498 2.779 1 U 6.500E+04 0.000E+00 e 0 - - - 1702 7.878 38.590 2.860 1 U 6.480E+04 0.000E+00 e 0 - - - 1703 7.991 38.494 2.864 1 U 5.680E+04 0.000E+00 e 0 - - - 1704 7.864 38.481 2.769 1 U 4.720E+04 0.000E+00 e 0 - - - 1705 7.585 38.660 2.866 1 U 2.160E+05 0.000E+00 e 0 - - - 1706 7.567 38.543 2.777 1 U 1.450E+05 0.000E+00 e 0 - - - 1707 6.953 38.628 2.868 1 U 1.100E+05 0.000E+00 e 0 - - - 1708 6.971 38.712 2.747 1 U 8.680E+04 0.000E+00 e 0 - - - 1709 4.640 38.518 2.778 1 U 5.660E+05 0.000E+00 e 0 - - - 1710 4.150 38.601 2.865 1 U 7.240E+04 0.000E+00 e 0 - - - 1711 3.919 38.414 2.860 1 U 9.470E+04 0.000E+00 e 0 - - - 1712 3.919 38.481 2.771 1 U 7.570E+04 0.000E+00 e 0 - - - 1713 2.873 38.527 2.870 1 U 2.130E+07 0.000E+00 e 0 - - - 1714 2.764 38.527 2.766 1 U 1.500E+07 0.000E+00 e 0 - - - 1715 2.764 38.527 2.868 1 U 1.430E+07 0.000E+00 e 0 - - - 1716 2.871 38.527 2.773 1 U 1.480E+07 0.000E+00 e 0 - - - 1717 1.585 38.643 2.865 1 U 1.010E+05 0.000E+00 e 0 - - - 1718 1.584 38.780 2.748 1 U 7.130E+04 0.000E+00 e 0 - - - 1719 1.595 38.439 2.769 1 U 5.200E+04 0.000E+00 e 0 - - - 1720 1.263 38.719 2.872 1 U 4.540E+04 0.000E+00 e 0 - - - 1721 1.263 38.466 2.849 1 U 5.100E+04 0.000E+00 e 0 - - - 1722 1.263 38.720 2.740 1 U 4.820E+04 0.000E+00 e 0 - - - 1723 1.243 38.650 2.756 1 U 5.640E+04 0.000E+00 e 0 - - - 1724 1.107 38.543 2.778 1 U 5.720E+04 0.000E+00 e 0 - - - 1725 1.075 38.764 2.751 1 U 4.980E+04 0.000E+00 e 0 - - - 1726 1.091 38.671 2.872 1 U 8.460E+04 0.000E+00 e 0 - - - 1727 0.970 38.456 2.867 1 U 6.630E+04 0.000E+00 e 0 - - - 1728 0.972 38.461 2.767 1 U 5.800E+04 0.000E+00 e 0 - - - 1729 4.637 54.114 4.635 1 U 9.290E+06 0.000E+00 e 0 - - - 1730 2.860 54.168 4.636 1 U 5.690E+05 0.000E+00 e 0 - - - 1731 2.963 42.169 2.954 1 U 1.070E+08 0.000E+00 e 0 - - - 1732 1.636 29.213 1.640 1 U 3.600E+07 0.000E+00 e 0 - - - 1733 1.417 29.221 1.642 1 U 7.910E+05 0.000E+00 e 0 - - - 1734 7.297 32.402 1.850 1 U 4.170E+04 0.000E+00 e 0 - - - 1735 7.641 32.241 1.867 1 U 8.570E+04 0.000E+00 e 0 - - - 1736 4.138 57.704 4.140 1 U 2.370E+07 0.000E+00 e 0 - - - 1737 3.256 29.471 3.258 1 U 1.310E+07 0.000E+00 e 0 - - - 1738 1.815 29.495 3.265 1 U 5.550E+04 0.000E+00 e 0 - - - # 1739 4.134 29.557 3.271 1 U 6.090E+04 0.000E+00 e 0 - - - 1740 4.601 29.456 3.257 1 U 5.410E+05 0.000E+00 e 0 - - - 1741 7.266 29.464 3.261 1 U 1.940E+05 0.000E+00 e 0 - - - 1742 7.599 29.459 3.256 1 U 2.440E+05 0.000E+00 e 0 - - - 1743 8.075 29.445 3.248 1 U 7.580E+04 0.000E+00 e 0 - - - 1744 7.607 57.630 4.598 1 U 2.620E+05 0.000E+00 e 0 - - - 1745 7.267 57.686 4.594 1 U 2.070E+05 0.000E+00 e 0 - - - 1746 8.068 57.614 4.593 1 U 1.210E+05 0.000E+00 e 0 - - - 1747 4.600 57.643 4.595 1 U 1.480E+07 0.000E+00 e 0 - - - 1748 3.260 57.652 4.595 1 U 1.150E+06 0.000E+00 e 0 - - - 1749 1.118 21.611 1.118 1 U 1.170E+08 0.000E+00 e 0 - - - # 1750 2.936 21.657 1.117 1 U 4.730E+04 0.000E+00 e 0 - - - # 1751 2.868 21.626 1.113 1 U 5.820E+04 0.000E+00 e 0 - - - 1752 3.251 21.594 1.117 1 U 5.910E+04 0.000E+00 e 0 - - - 1753 4.163 21.626 1.118 1 U 1.190E+06 0.000E+00 e 0 - - - 1754 4.295 21.609 1.118 1 U 5.610E+05 0.000E+00 e 0 - - - 1755 4.638 21.617 1.124 1 U 8.850E+04 0.000E+00 e 0 - - - 1756 7.859 21.616 1.118 1 U 5.940E+04 0.000E+00 e 0 - - - 1757 8.067 62.043 4.298 1 U 1.490E+05 0.000E+00 e 0 - - - 1758 7.863 62.080 4.297 1 U 6.150E+04 0.000E+00 e 0 - - - 1759 4.300 62.042 4.299 1 U 1.560E+07 0.000E+00 e 0 - - - 1760 4.160 62.051 4.299 1 U 1.490E+06 0.000E+00 e 0 - - - # 1761 3.268 61.889 4.298 1 U 5.020E+04 0.000E+00 e 0 - - - 1762 1.117 62.046 4.299 1 U 6.310E+05 0.000E+00 e 0 - - - 1763 2.322 33.885 2.321 1 U 6.730E+07 0.000E+00 e 0 - - - 1764 1.951 33.878 2.325 1 U 8.630E+05 0.000E+00 e 0 - - - 1765 4.244 33.877 2.326 1 U 4.160E+05 0.000E+00 e 0 - - - 1766 4.349 33.885 2.331 1 U 1.120E+05 0.000E+00 e 0 - - - 1767 6.846 33.891 2.324 1 U 6.460E+04 0.000E+00 e 0 - - - 1768 7.445 33.876 2.325 1 U 1.740E+05 0.000E+00 e 0 - - - 1769 8.330 33.931 2.326 1 U 6.320E+04 0.000E+00 e 0 - - - 1770 8.702 33.881 2.371 1 U 6.930E+04 0.000E+00 e 0 - - - 1771 8.300 33.873 2.362 1 U 8.120E+04 0.000E+00 e 0 - - - 1772 7.967 56.614 4.245 1 U 6.310E+04 0.000E+00 e 0 - - - 1773 7.858 56.550 4.244 1 U 9.310E+04 0.000E+00 e 0 - - - 1774 9.996 56.580 4.262 1 U 6.470E+04 0.000E+00 e 0 - - - 1775 9.139 56.462 4.263 1 U 6.660E+04 0.000E+00 e 0 - - - 1776 8.490 56.644 4.208 1 U 1.270E+06 0.000E+00 e 0 - - - 1777 8.262 56.642 4.211 1 U 8.860E+04 0.000E+00 e 0 - - - 1778 8.319 56.417 4.164 1 U 8.440E+04 0.000E+00 e 0 - - - 1779 7.996 56.386 4.166 1 U 8.320E+04 0.000E+00 e 0 - - - 1780 2.774 38.572 2.764 1 U 2.310E+07 0.000E+00 e 0 - - - 1781 2.864 38.572 2.866 1 U 2.340E+07 0.000E+00 e 0 - - - 1782 1.932 50.809 3.712 1 U 1.570E+06 0.000E+00 e 0 - - - 1783 2.217 50.810 3.711 1 U 2.690E+05 0.000E+00 e 0 - - - 1784 2.219 31.979 2.219 1 U 1.150E+07 0.000E+00 e 0 - - - 1785 1.921 31.977 2.221 1 U 2.650E+06 0.000E+00 e 0 - - - 1786 3.713 31.987 2.221 1 U 1.720E+05 0.000E+00 e 0 - - - 1787 4.356 31.982 2.220 1 U 6.070E+05 0.000E+00 e 0 - - - 1788 8.274 64.003 4.352 1 U 1.090E+05 0.000E+00 e 0 - - - 1789 4.356 64.002 4.355 1 U 1.800E+07 0.000E+00 e 0 - - - 1790 3.713 64.013 4.357 1 U 1.550E+05 0.000E+00 e 0 - - - 1791 0.853 64.057 4.353 1 U 1.080E+05 0.000E+00 e 0 - - - 1792 3.844 63.677 3.850 1 U 1.900E+07 0.000E+00 e 0 - - - 1793 3.797 63.677 3.853 1 U 1.020E+07 0.000E+00 e 0 - - - 1794 3.851 63.677 3.790 1 U 7.560E+06 0.000E+00 e 0 - - - 1795 8.266 63.887 3.845 1 U 4.840E+04 0.000E+00 e 0 - - - 1796 1.959 63.661 3.852 1 U 6.800E+04 0.000E+00 e 0 - - - 1797 1.956 63.652 3.794 1 U 9.480E+04 0.000E+00 e 0 - - - 1798 0.859 63.823 3.851 1 U 6.180E+04 0.000E+00 e 0 - - - 1799 4.632 31.058 3.080 1 U 2.600E+05 0.000E+00 e 0 - - - 1800 2.989 31.179 2.986 1 U 5.540E+06 0.000E+00 e 0 - - - 1801 3.082 31.179 3.084 1 U 3.990E+06 0.000E+00 e 0 - - - 1802 3.079 31.179 2.986 1 U 3.110E+06 0.000E+00 e 0 - - - 1803 2.987 31.179 3.086 1 U 3.340E+06 0.000E+00 e 0 - - - 1804 4.848 31.571 3.248 1 U 7.270E+05 0.000E+00 e 0 - - - 1805 0.849 17.558 0.850 1 U 6.740E+07 0.000E+00 e 0 - - - 1806 1.154 17.558 0.850 1 U 4.260E+05 0.000E+00 e 0 - - - 1807 1.405 17.554 0.850 1 U 4.050E+05 0.000E+00 e 0 - - - 1808 1.878 17.554 0.850 1 U 1.160E+06 0.000E+00 e 0 - - - 1809 2.083 17.601 0.853 1 U 6.020E+04 0.000E+00 e 0 - - - 1810 2.230 17.585 0.850 1 U 6.990E+04 0.000E+00 e 0 - - - 1811 2.841 17.504 0.845 1 U 6.300E+04 0.000E+00 e 0 - - - 1812 4.188 17.568 0.850 1 U 5.690E+05 0.000E+00 e 0 - - - 1813 4.351 17.562 0.853 1 U 1.150E+05 0.000E+00 e 0 - - - 1814 4.640 17.504 0.847 1 U 6.290E+04 0.000E+00 e 0 - - - 1815 8.446 17.562 0.849 1 U 1.530E+05 0.000E+00 e 0 - - - 1816 4.188 27.166 1.404 1 U 1.190E+05 0.000E+00 e 0 - - - 1817 1.876 27.189 1.405 1 U 3.640E+05 0.000E+00 e 0 - - - 1818 1.404 27.110 1.411 1 U 1.310E+07 0.000E+00 e 0 - - - 1819 1.153 27.178 1.407 1 U 2.240E+06 0.000E+00 e 0 - - - 1820 0.828 27.176 1.405 1 U 6.830E+05 0.000E+00 e 0 - - - 1821 0.816 12.436 0.815 1 U 8.120E+07 0.000E+00 e 0 - - - 1822 1.148 12.432 0.815 1 U 5.770E+05 0.000E+00 e 0 - - - 1823 1.402 12.433 0.815 1 U 7.200E+05 0.000E+00 e 0 - - - 1824 1.758 12.475 0.814 1 U 7.360E+04 0.000E+00 e 0 - - - 1825 1.880 12.428 0.815 1 U 4.450E+05 0.000E+00 e 0 - - - 1826 4.187 12.432 0.815 1 U 3.030E+05 0.000E+00 e 0 - - - 1827 8.440 12.440 0.819 1 U 9.770E+04 0.000E+00 e 0 - - - 1828 0.844 38.649 1.879 1 U 7.850E+05 0.000E+00 e 0 - - - 1829 1.156 38.654 1.877 1 U 2.590E+05 0.000E+00 e 0 - - - 1830 1.404 38.655 1.879 1 U 3.390E+05 0.000E+00 e 0 - - - 1831 1.878 38.643 1.879 1 U 1.030E+07 0.000E+00 e 0 - - - 1832 1.840 38.591 1.839 1 U 9.010E+06 0.000E+00 e 0 - - - 1833 0.603 38.559 1.836 1 U 1.820E+05 0.000E+00 e 0 - - - 1834 0.743 38.564 1.838 1 U 9.120E+05 0.000E+00 e 0 - - - 1835 1.166 38.584 1.840 1 U 3.040E+05 0.000E+00 e 0 - - - 1836 1.321 38.561 1.838 1 U 2.930E+05 0.000E+00 e 0 - - - 1837 4.141 38.563 1.839 1 U 6.400E+05 0.000E+00 e 0 - - - 1838 4.173 38.634 1.872 1 U 2.180E+05 0.000E+00 e 0 - - - 1839 4.440 38.595 1.840 1 U 6.270E+04 0.000E+00 e 0 - - - 1840 7.099 38.696 1.877 1 U 5.560E+04 0.000E+00 e 0 - - - 1841 7.951 38.643 1.840 1 U 5.860E+04 0.000E+00 e 0 - - - 1842 8.261 38.572 1.838 1 U 5.730E+05 0.000E+00 e 0 - - - 1843 8.437 38.640 1.879 1 U 3.360E+05 0.000E+00 e 0 - - - 1844 8.449 60.183 4.187 1 U 4.390E+05 0.000E+00 e 0 - - - 1845 4.189 60.171 4.188 1 U 9.320E+06 0.000E+00 e 0 - - - 1846 1.878 60.184 4.187 1 U 2.740E+05 0.000E+00 e 0 - - - 1847 1.411 60.150 4.189 1 U 1.620E+05 0.000E+00 e 0 - - - 1848 1.153 60.193 4.188 1 U 2.570E+05 0.000E+00 e 0 - - - 1849 0.219 26.973 1.140 1 U 2.730E+05 0.000E+00 e 0 - - - 1850 0.516 27.076 1.137 1 U 2.310E+05 0.000E+00 e 0 - - - 1851 0.832 27.166 1.152 1 U 6.230E+05 0.000E+00 e 0 - - - 1852 1.152 27.149 1.152 1 U 1.240E+07 0.000E+00 e 0 - - - 1853 1.406 27.175 1.150 1 U 2.100E+06 0.000E+00 e 0 - - - 1854 1.138 27.003 1.140 1 U 1.040E+07 0.000E+00 e 0 - - - 1855 1.880 27.161 1.151 1 U 2.710E+05 0.000E+00 e 0 - - - 1856 1.841 27.132 1.113 1 U 5.440E+04 0.000E+00 e 0 - - - 1857 4.189 27.180 1.154 1 U 1.600E+05 0.000E+00 e 0 - - - 1858 4.091 26.956 1.136 1 U 1.100E+05 0.000E+00 e 0 - - - 1859 4.381 26.936 1.135 1 U 1.090E+05 0.000E+00 e 0 - - - 1860 8.259 27.012 1.132 1 U 8.190E+04 0.000E+00 e 0 - - - 1861 7.991 23.888 0.219 1 U 1.390E+05 0.000E+00 e 0 - - - 1862 8.261 23.833 0.215 1 U 9.010E+04 0.000E+00 e 0 - - - 1863 7.317 23.897 0.220 1 U 1.340E+05 0.000E+00 e 0 - - - 1864 9.058 23.872 0.222 1 U 4.820E+04 0.000E+00 e 0 - - - 1865 4.562 23.888 0.218 1 U 8.650E+04 0.000E+00 e 0 - - - 1866 4.439 23.892 0.220 1 U 2.650E+05 0.000E+00 e 0 - - - 1867 4.883 23.893 0.219 1 U 2.460E+05 0.000E+00 e 0 - - - 1868 4.090 23.897 0.219 1 U 4.410E+05 0.000E+00 e 0 - - - 1869 3.295 23.884 0.219 1 U 1.020E+05 0.000E+00 e 0 - - - 1870 1.748 23.885 0.219 1 U 1.900E+05 0.000E+00 e 0 - - - 1871 1.921 23.891 0.220 1 U 3.780E+05 0.000E+00 e 0 - - - 1872 1.863 23.902 0.225 1 U 2.490E+05 0.000E+00 e 0 - - - 1873 1.554 23.862 0.220 1 U 9.960E+04 0.000E+00 e 0 - - - 1874 1.467 23.880 0.219 1 U 1.800E+05 0.000E+00 e 0 - - - 1875 1.125 23.883 0.219 1 U 7.220E+05 0.000E+00 e 0 - - - 1876 0.752 23.894 0.220 1 U 4.470E+05 0.000E+00 e 0 - - - 1877 0.515 23.888 0.218 1 U 8.810E+05 0.000E+00 e 0 - - - 1878 0.219 23.888 0.218 1 U 3.040E+07 0.000E+00 e 0 - - - 1879 0.514 25.494 0.514 1 U 4.490E+07 0.000E+00 e 0 - - - 1880 0.216 25.492 0.514 1 U 9.290E+05 0.000E+00 e 0 - - - 1881 0.754 25.496 0.514 1 U 6.100E+05 0.000E+00 e 0 - - - 1882 1.128 25.425 0.515 1 U 6.800E+05 0.000E+00 e 0 - - - 1883 1.469 25.498 0.513 1 U 5.470E+05 0.000E+00 e 0 - - - 1884 1.563 25.498 0.514 1 U 3.850E+05 0.000E+00 e 0 - - - 1885 1.753 25.464 0.514 1 U 1.200E+05 0.000E+00 e 0 - - - 1886 1.863 25.490 0.515 1 U 1.660E+05 0.000E+00 e 0 - - - 1887 1.917 25.489 0.515 1 U 1.600E+05 0.000E+00 e 0 - - - 1888 2.713 25.516 0.517 1 U 5.410E+04 0.000E+00 e 0 - - - 1889 3.306 25.479 0.516 1 U 6.070E+04 0.000E+00 e 0 - - - 1890 4.090 25.488 0.513 1 U 1.670E+05 0.000E+00 e 0 - - - 1891 4.434 25.488 0.514 1 U 2.530E+05 0.000E+00 e 0 - - - 1892 4.574 25.564 0.515 1 U 8.050E+04 0.000E+00 e 0 - - - 1893 4.821 25.492 0.514 1 U 2.430E+05 0.000E+00 e 0 - - - 1894 7.322 25.526 0.513 1 U 5.990E+04 0.000E+00 e 0 - - - 1895 7.593 25.503 0.516 1 U 1.070E+05 0.000E+00 e 0 - - - 1896 8.008 25.502 0.513 1 U 1.160E+05 0.000E+00 e 0 - - - 1897 8.259 25.481 0.516 1 U 1.080E+05 0.000E+00 e 0 - - - 1898 8.425 25.560 0.520 1 U 4.490E+04 0.000E+00 e 0 - - - 1899 8.021 42.691 1.086 1 U 1.200E+05 0.000E+00 e 0 - - - 1900 8.020 42.644 1.468 1 U 3.680E+05 0.000E+00 e 0 - - - 1901 0.216 42.671 1.464 1 U 1.220E+05 0.000E+00 e 0 - - - 1902 0.220 42.659 1.094 1 U 2.130E+05 0.000E+00 e 0 - - - 1903 0.513 42.645 1.465 1 U 3.390E+05 0.000E+00 e 0 - - - 1904 0.510 42.644 1.093 1 U 1.880E+05 0.000E+00 e 0 - - - 1905 1.099 42.652 1.467 1 U 1.620E+06 0.000E+00 e 0 - - - 1906 1.098 42.657 1.094 1 U 2.590E+06 0.000E+00 e 0 - - - 1907 1.467 42.647 1.467 1 U 3.700E+06 0.000E+00 e 0 - - - 1908 1.466 42.657 1.093 1 U 1.170E+06 0.000E+00 e 0 - - - # 1909 1.889 42.585 1.471 1 U 6.070E+04 0.000E+00 e 0 - - - 1910 1.916 42.575 1.100 1 U 5.740E+04 0.000E+00 e 0 - - - 1911 4.093 42.634 1.467 1 U 1.790E+05 0.000E+00 e 0 - - - 1912 4.094 42.677 1.093 1 U 1.680E+05 0.000E+00 e 0 - - - 1913 4.378 42.638 1.466 1 U 9.710E+04 0.000E+00 e 0 - - - 1914 4.823 42.608 1.469 1 U 8.640E+04 0.000E+00 e 0 - - - 1915 8.430 42.643 1.470 1 U 1.330E+05 0.000E+00 e 0 - - - 1916 8.441 42.652 1.083 1 U 7.270E+04 0.000E+00 e 0 - - - 1917 8.435 55.517 4.091 1 U 4.490E+05 0.000E+00 e 0 - - - 1918 8.020 55.524 4.092 1 U 2.770E+05 0.000E+00 e 0 - - - 1919 7.321 55.531 4.090 1 U 1.020E+05 0.000E+00 e 0 - - - 1920 4.393 55.470 4.091 1 U 7.820E+04 0.000E+00 e 0 - - - 1921 4.091 55.510 4.091 1 U 6.830E+06 0.000E+00 e 0 - - - # 1922 1.910 55.509 4.092 1 U 8.880E+04 0.000E+00 e 0 - - - # 1923 1.747 55.447 4.097 1 U 5.060E+04 0.000E+00 e 0 - - - 1924 1.465 55.530 4.091 1 U 2.690E+05 0.000E+00 e 0 - - - 1925 1.113 55.507 4.091 1 U 4.540E+05 0.000E+00 e 0 - - - 1926 0.513 55.507 4.091 1 U 1.780E+05 0.000E+00 e 0 - - - 1927 0.218 55.514 4.091 1 U 5.460E+05 0.000E+00 e 0 - - - 1928 2.229 36.611 2.326 1 U 9.720E+06 0.000E+00 e 0 - - - 1929 2.331 36.611 2.236 1 U 8.940E+06 0.000E+00 e 0 - - - 1930 2.306 36.611 2.314 1 U 2.150E+07 0.000E+00 e 0 - - - 1931 2.248 36.611 2.243 1 U 1.480E+07 0.000E+00 e 0 - - - 1932 0.820 36.651 2.341 1 U 5.720E+04 0.000E+00 e 0 - - - 1933 0.828 36.645 2.240 1 U 5.420E+04 0.000E+00 e 0 - - - 1934 1.949 30.887 1.953 1 U 1.230E+07 0.000E+00 e 0 - - - 1935 2.232 30.891 1.958 1 U 2.880E+05 0.000E+00 e 0 - - - 1936 2.323 30.891 1.949 1 U 2.970E+05 0.000E+00 e 0 - - - 1937 2.981 30.998 1.959 1 U 4.800E+04 0.000E+00 e 0 - - - # 1938 2.943 30.884 1.962 1 U 4.960E+04 0.000E+00 e 0 - - - 1939 4.389 30.913 1.939 1 U 4.160E+05 0.000E+00 e 0 - - - 1940 8.021 30.945 1.944 1 U 1.540E+05 0.000E+00 e 0 - - - 1941 1.945 43.910 2.965 1 U 5.720E+04 0.000E+00 e 0 - - - 1942 1.927 43.910 2.927 1 U 4.840E+04 0.000E+00 e 0 - - - 1943 2.957 43.781 2.956 1 U 9.400E+06 0.000E+00 e 0 - - - 1944 2.929 43.781 2.924 1 U 1.210E+07 0.000E+00 e 0 - - - 1945 5.140 43.783 2.952 1 U 4.060E+05 0.000E+00 e 0 - - - 1946 5.141 43.769 2.927 1 U 4.590E+05 0.000E+00 e 0 - - - 1947 7.329 43.759 2.928 1 U 2.820E+05 0.000E+00 e 0 - - - 1948 7.328 43.781 2.956 1 U 2.580E+05 0.000E+00 e 0 - - - 1949 8.587 43.778 2.926 1 U 4.450E+05 0.000E+00 e 0 - - - 1950 8.641 43.762 2.957 1 U 2.990E+05 0.000E+00 e 0 - - - 1951 0.644 52.727 5.143 1 U 4.910E+04 0.000E+00 e 0 - - - 1952 1.948 52.792 5.132 1 U 5.180E+04 0.000E+00 e 0 - - - 1953 2.939 52.696 5.142 1 U 5.590E+05 0.000E+00 e 0 - - - 1954 4.395 52.664 5.137 1 U 6.430E+04 0.000E+00 e 0 - - - 1955 5.141 52.699 5.142 1 U 7.560E+06 0.000E+00 e 0 - - - 1956 8.655 52.696 5.142 1 U 7.320E+05 0.000E+00 e 0 - - - 1957 0.639 32.831 2.324 1 U 5.730E+04 0.000E+00 e 0 - - - 1958 0.652 32.776 2.582 1 U 5.870E+04 0.000E+00 e 0 - - - 1959 2.021 32.780 2.584 1 U 2.050E+05 0.000E+00 e 0 - - - 1960 2.329 32.792 2.584 1 U 4.160E+06 0.000E+00 e 0 - - - 1961 2.329 32.799 2.331 1 U 1.170E+07 0.000E+00 e 0 - - - 1962 2.584 32.799 2.585 1 U 1.640E+07 0.000E+00 e 0 - - - 1963 2.582 32.805 2.323 1 U 3.210E+06 0.000E+00 e 0 - - - 1964 4.210 32.807 2.585 1 U 1.890E+05 0.000E+00 e 0 - - - 1965 4.209 32.805 2.325 1 U 2.850E+05 0.000E+00 e 0 - - - 1966 8.487 32.805 2.585 1 U 1.020E+05 0.000E+00 e 0 - - - 1967 8.491 32.822 2.325 1 U 1.730E+05 0.000E+00 e 0 - - - 1968 2.020 16.622 2.020 1 U 1.500E+08 0.000E+00 e 0 - - - 1969 2.262 16.604 2.024 1 U 4.810E+05 0.000E+00 e 0 - - - 1970 2.582 16.618 2.024 1 U 3.580E+05 0.000E+00 e 0 - - - 1971 2.392 16.579 2.019 1 U 1.350E+05 0.000E+00 e 0 - - - 1972 4.196 16.619 2.020 1 U 2.420E+05 0.000E+00 e 0 - - - 1973 4.143 16.625 2.020 1 U 2.080E+05 0.000E+00 e 0 - - - 1974 8.483 16.633 2.022 1 U 6.950E+04 0.000E+00 e 0 - - - 1975 8.605 16.680 2.026 1 U 6.400E+04 0.000E+00 e 0 - - - 1976 1.318 16.603 2.025 1 U 1.400E+05 0.000E+00 e 0 - - - 1977 1.060 16.585 2.022 1 U 7.070E+04 0.000E+00 e 0 - - - 1978 0.694 16.622 2.020 1 U 6.350E+05 0.000E+00 e 0 - - - 1979 2.252 28.408 2.385 1 U 1.990E+06 0.000E+00 e 0 - - - 1980 2.251 28.412 2.250 1 U 3.030E+06 0.000E+00 e 0 - - - 1981 2.380 28.407 2.249 1 U 2.160E+06 0.000E+00 e 0 - - - 1982 2.377 28.406 2.379 1 U 5.750E+06 0.000E+00 e 0 - - - 1983 2.582 28.420 2.386 1 U 3.570E+05 0.000E+00 e 0 - - - 1984 2.582 28.417 2.250 1 U 3.280E+05 0.000E+00 e 0 - - - 1985 4.212 28.430 2.385 1 U 1.910E+05 0.000E+00 e 0 - - - 1986 4.208 28.393 2.249 1 U 2.680E+05 0.000E+00 e 0 - - - 1987 8.495 28.465 2.257 1 U 5.540E+04 0.000E+00 e 0 - - - 1988 0.655 28.431 2.256 1 U 4.720E+04 0.000E+00 e 0 - - - 1989 2.255 56.626 4.208 1 U 6.810E+05 0.000E+00 e 0 - - - 1990 2.578 56.668 4.207 1 U 1.700E+05 0.000E+00 e 0 - - - 1991 2.347 56.642 4.209 1 U 4.550E+05 0.000E+00 e 0 - - - 1992 1.633 56.667 4.211 1 U 9.250E+04 0.000E+00 e 0 - - - 1993 0.636 56.645 4.208 1 U 6.390E+05 0.000E+00 e 0 - - - # 1994 3.285 56.608 4.194 1 U 5.680E+04 0.000E+00 e 0 - - - 1995 4.210 56.633 4.212 1 U 1.120E+07 0.000E+00 e 0 - - - 1996 7.492 56.608 4.207 1 U 1.190E+05 0.000E+00 e 0 - - - 1997 7.937 56.596 4.204 1 U 5.320E+04 0.000E+00 e 0 - - - 1998 8.569 56.633 4.207 1 U 2.920E+05 0.000E+00 e 0 - - - 1999 7.493 31.591 3.247 1 U 1.360E+05 0.000E+00 e 0 - - - 2000 7.489 31.586 3.023 1 U 2.140E+05 0.000E+00 e 0 - - - 2001 8.493 31.571 3.248 1 U 7.360E+04 0.000E+00 e 0 - - - 2002 3.248 31.570 3.023 1 U 2.660E+06 0.000E+00 e 0 - - - 2003 3.244 31.581 3.248 1 U 4.750E+06 0.000E+00 e 0 - - - 2004 3.022 31.572 3.248 1 U 2.890E+06 0.000E+00 e 0 - - - 2005 3.018 31.567 3.021 1 U 4.380E+06 0.000E+00 e 0 - - - 2006 1.062 31.523 3.248 1 U 9.850E+04 0.000E+00 e 0 - - - 2007 1.051 31.589 3.015 1 U 1.480E+05 0.000E+00 e 0 - - - 2008 1.066 58.352 4.851 1 U 2.050E+05 0.000E+00 e 0 - - - 2009 3.024 58.355 4.851 1 U 9.920E+05 0.000E+00 e 0 - - - 2010 3.249 58.354 4.851 1 U 1.090E+06 0.000E+00 e 0 - - - 2011 4.848 58.352 4.851 1 U 1.120E+07 0.000E+00 e 0 - - - 2012 7.485 58.339 4.852 1 U 3.400E+05 0.000E+00 e 0 - - - 2013 8.497 58.403 4.849 1 U 1.580E+05 0.000E+00 e 0 - - - 2014 8.541 16.731 1.063 1 U 9.840E+04 0.000E+00 e 0 - - - 2015 7.949 16.729 1.063 1 U 1.870E+05 0.000E+00 e 0 - - - 2016 7.663 16.736 1.067 1 U 1.040E+05 0.000E+00 e 0 - - - 2017 7.488 16.706 1.062 1 U 2.430E+05 0.000E+00 e 0 - - - 2018 6.856 16.785 1.057 1 U 5.860E+04 0.000E+00 e 0 - - - 2019 4.847 16.704 1.063 1 U 1.550E+05 0.000E+00 e 0 - - - 2020 4.148 16.731 1.063 1 U 2.860E+05 0.000E+00 e 0 - - - 2021 3.939 16.714 1.063 1 U 8.510E+05 0.000E+00 e 0 - - - 2022 3.448 16.681 1.064 1 U 1.230E+05 0.000E+00 e 0 - - - 2023 3.246 16.680 1.064 1 U 9.420E+04 0.000E+00 e 0 - - - 2024 3.027 16.715 1.063 1 U 4.780E+05 0.000E+00 e 0 - - - 2025 2.902 16.702 1.063 1 U 6.790E+05 0.000E+00 e 0 - - - 2026 1.951 16.708 1.063 1 U 1.180E+06 0.000E+00 e 0 - - - 2027 1.286 16.727 1.064 1 U 4.280E+05 0.000E+00 e 0 - - - 2028 1.064 16.712 1.063 1 U 5.410E+07 0.000E+00 e 0 - - - 2029 0.546 16.712 1.063 1 U 1.130E+06 0.000E+00 e 0 - - - 2030 0.432 16.839 1.071 1 U 8.340E+04 0.000E+00 e 0 - - - 2031 1.070 28.150 1.277 1 U 2.570E+06 0.000E+00 e 0 - - - 2032 1.071 28.164 1.072 1 U 5.390E+06 0.000E+00 e 0 - - - 2033 1.277 28.164 1.276 1 U 5.850E+06 0.000E+00 e 0 - - - 2034 1.277 28.153 1.070 1 U 2.060E+06 0.000E+00 e 0 - - - 2035 0.923 28.179 1.278 1 U 1.790E+05 0.000E+00 e 0 - - - 2036 0.928 28.157 1.072 1 U 1.900E+05 0.000E+00 e 0 - - - 2037 0.827 28.174 1.277 1 U 1.470E+05 0.000E+00 e 0 - - - 2038 0.546 28.157 1.069 1 U 3.980E+05 0.000E+00 e 0 - - - 2039 0.546 28.147 1.277 1 U 4.760E+05 0.000E+00 e 0 - - - 2040 1.950 28.156 1.276 1 U 3.450E+05 0.000E+00 e 0 - - - 2041 1.950 28.143 1.069 1 U 2.400E+05 0.000E+00 e 0 - - - 2042 2.901 28.133 1.274 1 U 1.280E+05 0.000E+00 e 0 - - - 2043 2.902 28.191 1.065 1 U 5.650E+04 0.000E+00 e 0 - - - 2044 3.032 28.151 1.274 1 U 7.030E+04 0.000E+00 e 0 - - - 2045 3.448 28.221 1.275 1 U 5.860E+04 0.000E+00 e 0 - - - 2046 3.940 28.141 1.278 1 U 1.850E+05 0.000E+00 e 0 - - - 2047 4.136 28.149 1.281 1 U 9.100E+04 0.000E+00 e 0 - - - 2048 3.941 28.175 1.071 1 U 2.640E+05 0.000E+00 e 0 - - - 2049 7.949 28.155 1.279 1 U 2.200E+05 0.000E+00 e 0 - - - 2050 7.948 28.122 1.070 1 U 2.050E+05 0.000E+00 e 0 - - - 2051 0.546 11.790 0.545 1 U 5.550E+07 0.000E+00 e 0 - - - 2052 0.732 11.803 0.547 1 U 4.460E+05 0.000E+00 e 0 - - - 2053 0.836 11.784 0.547 1 U 2.360E+05 0.000E+00 e 0 - - - 2054 0.930 11.791 0.545 1 U 3.510E+05 0.000E+00 e 0 - - - 2055 1.065 11.792 0.545 1 U 2.040E+06 0.000E+00 e 0 - - - 2056 1.276 11.790 0.545 1 U 9.510E+05 0.000E+00 e 0 - - - 2057 1.538 11.780 0.546 1 U 9.120E+04 0.000E+00 e 0 - - - 2058 1.725 11.752 0.547 1 U 1.500E+05 0.000E+00 e 0 - - - 2059 1.861 11.804 0.546 1 U 1.450E+05 0.000E+00 e 0 - - - 2060 1.951 11.790 0.545 1 U 3.910E+05 0.000E+00 e 0 - - - 2061 2.901 11.789 0.545 1 U 3.470E+05 0.000E+00 e 0 - - - 2062 3.031 11.780 0.545 1 U 2.070E+05 0.000E+00 e 0 - - - 2063 3.163 11.755 0.551 1 U 6.000E+04 0.000E+00 e 0 - - - 2064 3.462 11.787 0.545 1 U 4.890E+05 0.000E+00 e 0 - - - 2065 3.939 11.788 0.545 1 U 5.820E+05 0.000E+00 e 0 - - - 2066 4.136 11.803 0.546 1 U 2.920E+05 0.000E+00 e 0 - - - 2067 4.405 11.771 0.545 1 U 9.610E+04 0.000E+00 e 0 - - - 2068 7.099 11.787 0.547 1 U 8.170E+04 0.000E+00 e 0 - - - 2069 7.666 11.800 0.545 1 U 2.780E+05 0.000E+00 e 0 - - - 2070 7.950 11.798 0.545 1 U 1.570E+05 0.000E+00 e 0 - - - 2071 8.538 11.762 0.545 1 U 1.650E+05 0.000E+00 e 0 - - - 2072 7.489 37.197 1.953 1 U 3.360E+05 0.000E+00 e 0 - - - 2073 7.948 37.206 1.949 1 U 4.620E+05 0.000E+00 e 0 - - - 2074 0.546 37.191 1.951 1 U 2.080E+05 0.000E+00 e 0 - - - 2075 1.066 37.210 1.952 1 U 8.320E+05 0.000E+00 e 0 - - - 2076 1.276 37.195 1.951 1 U 3.010E+05 0.000E+00 e 0 - - - 2077 1.951 37.210 1.951 1 U 3.890E+06 0.000E+00 e 0 - - - 2078 2.901 37.203 1.952 1 U 4.800E+05 0.000E+00 e 0 - - - 2079 3.026 37.210 1.950 1 U 1.910E+05 0.000E+00 e 0 - - - 2080 3.944 37.173 1.951 1 U 1.550E+05 0.000E+00 e 0 - - - 2081 4.144 37.182 1.959 1 U 4.600E+04 0.000E+00 e 0 - - - 2082 0.546 62.758 3.938 1 U 5.400E+05 0.000E+00 e 0 - - - 2083 0.740 62.754 3.940 1 U 1.430E+05 0.000E+00 e 0 - - - 2084 1.066 62.755 3.939 1 U 1.310E+06 0.000E+00 e 0 - - - 2085 1.278 62.758 3.938 1 U 3.280E+05 0.000E+00 e 0 - - - 2086 1.951 62.770 3.939 1 U 2.790E+05 0.000E+00 e 0 - - - 2087 2.896 62.734 3.939 1 U 7.200E+04 0.000E+00 e 0 - - - 2088 3.939 62.755 3.939 1 U 1.250E+07 0.000E+00 e 0 - - - 2089 7.486 62.742 3.939 1 U 1.090E+05 0.000E+00 e 0 - - - 2090 7.946 62.773 3.939 1 U 3.390E+05 0.000E+00 e 0 - - - 2091 7.485 18.602 0.746 1 U 6.710E+04 0.000E+00 e 0 - - - 2092 3.755 18.591 0.748 1 U 7.260E+04 0.000E+00 e 0 - - - # 2093 3.287 18.560 0.753 1 U 5.130E+04 0.000E+00 e 0 - - - 2094 2.572 18.627 0.761 1 U 4.740E+04 0.000E+00 e 0 - - - 2095 1.320 28.322 1.321 1 U 9.010E+06 0.000E+00 e 0 - - - 2096 1.171 28.328 1.171 1 U 8.010E+06 0.000E+00 e 0 - - - 2097 1.171 28.322 1.323 1 U 3.160E+06 0.000E+00 e 0 - - - 2098 1.320 28.324 1.169 1 U 3.170E+06 0.000E+00 e 0 - - - 2099 0.735 28.316 1.322 1 U 6.420E+05 0.000E+00 e 0 - - - 2100 0.743 28.318 1.171 1 U 7.360E+05 0.000E+00 e 0 - - - 2101 0.587 28.309 1.319 1 U 1.090E+05 0.000E+00 e 0 - - - 2102 0.600 28.299 1.172 1 U 9.290E+04 0.000E+00 e 0 - - - 2103 1.837 28.328 1.323 1 U 3.480E+05 0.000E+00 e 0 - - - 2104 1.837 28.321 1.170 1 U 3.260E+05 0.000E+00 e 0 - - - 2105 4.138 28.311 1.321 1 U 2.630E+05 0.000E+00 e 0 - - - 2106 4.139 28.349 1.171 1 U 1.450E+05 0.000E+00 e 0 - - - 2107 8.259 28.330 1.323 1 U 1.400E+05 0.000E+00 e 0 - - - 2108 8.262 28.331 1.171 1 U 1.740E+05 0.000E+00 e 0 - - - 2109 7.945 28.210 1.345 1 U 5.650E+04 0.000E+00 e 0 - - - 2110 1.837 14.417 0.715 1 U 6.860E+05 0.000E+00 e 0 - - - 2111 2.008 14.417 0.715 1 U 1.060E+05 0.000E+00 e 0 - - - 2112 0.714 14.413 0.714 1 U 8.240E+07 0.000E+00 e 0 - - - 2113 1.158 14.420 0.715 1 U 6.510E+05 0.000E+00 e 0 - - - 2114 1.106 14.414 0.714 1 U 4.610E+05 0.000E+00 e 0 - - - 2115 1.313 14.416 0.715 1 U 7.200E+05 0.000E+00 e 0 - - - # 2116 2.967 14.375 0.716 1 U 8.870E+04 0.000E+00 e 0 - - - 2117 3.751 14.466 0.712 1 U 1.230E+05 0.000E+00 e 0 - - - 2118 3.852 14.457 0.715 1 U 8.030E+04 0.000E+00 e 0 - - - # 2119 3.957 14.394 0.710 1 U 7.270E+04 0.000E+00 e 0 - - - 2120 4.140 14.415 0.714 1 U 5.400E+05 0.000E+00 e 0 - - - 2121 7.956 14.412 0.717 1 U 7.590E+04 0.000E+00 e 0 - - - 2122 8.258 14.402 0.713 1 U 1.270E+05 0.000E+00 e 0 - - - # 2123 9.138 14.371 0.714 1 U 5.530E+04 0.000E+00 e 0 - - - 2124 4.147 62.007 4.142 1 U 2.120E+07 0.000E+00 e 0 - - - 2125 1.131 31.510 1.931 1 U 1.390E+05 0.000E+00 e 0 - - - 2126 1.928 31.515 1.932 1 U 6.430E+06 0.000E+00 e 0 - - - 2127 1.133 31.484 3.286 1 U 6.570E+04 0.000E+00 e 0 - - - 2128 1.928 31.510 3.296 1 U 1.350E+06 0.000E+00 e 0 - - - 2129 0.521 31.513 1.926 1 U 1.120E+05 0.000E+00 e 0 - - - 2130 0.229 31.516 3.289 1 U 6.390E+04 0.000E+00 e 0 - - - 2131 0.217 31.515 1.930 1 U 2.920E+05 0.000E+00 e 0 - - - # 2132 0.797 31.534 1.929 1 U 6.300E+04 0.000E+00 e 0 - - - 2133 3.293 31.513 3.294 1 U 2.170E+06 0.000E+00 e 0 - - - 2134 3.297 31.513 1.929 1 U 1.770E+06 0.000E+00 e 0 - - - 2135 4.427 31.512 3.297 1 U 1.940E+05 0.000E+00 e 0 - - - 2136 4.426 31.501 1.930 1 U 4.740E+05 0.000E+00 e 0 - - - 2137 4.884 31.488 1.929 1 U 7.520E+04 0.000E+00 e 0 - - - 2138 7.330 31.528 3.292 1 U 1.940E+05 0.000E+00 e 0 - - - 2139 7.328 31.511 1.928 1 U 2.000E+05 0.000E+00 e 0 - - - 2140 7.487 31.516 3.296 1 U 7.590E+04 0.000E+00 e 0 - - - 2141 7.485 31.515 1.928 1 U 5.820E+04 0.000E+00 e 0 - - - 2142 7.977 31.521 3.295 1 U 6.340E+04 0.000E+00 e 0 - - - 2143 8.261 31.506 3.296 1 U 4.080E+05 0.000E+00 e 0 - - - 2144 8.332 31.924 1.958 1 U 9.680E+05 0.000E+00 e 0 - - - 2145 7.724 31.918 1.958 1 U 4.110E+05 0.000E+00 e 0 - - - 2146 4.109 31.906 1.958 1 U 5.080E+05 0.000E+00 e 0 - - - 2147 3.981 31.914 1.959 1 U 9.620E+05 0.000E+00 e 0 - - - 2148 4.359 31.978 1.916 1 U 3.040E+05 0.000E+00 e 0 - - - 2149 3.712 31.998 1.916 1 U 2.850E+05 0.000E+00 e 0 - - - 2150 2.219 31.996 1.914 1 U 2.050E+06 0.000E+00 e 0 - - - 2151 1.909 31.952 1.916 1 U 1.320E+07 0.000E+00 e 0 - - - 2152 1.956 31.952 1.962 1 U 2.660E+07 0.000E+00 e 0 - - - 2153 1.643 31.918 1.958 1 U 6.230E+05 0.000E+00 e 0 - - - 2154 1.476 31.916 1.958 1 U 5.050E+05 0.000E+00 e 0 - - - 2155 0.973 31.878 1.960 1 U 1.310E+05 0.000E+00 e 0 - - - 2156 1.689 29.220 1.689 1 U 5.200E+07 0.000E+00 e 0 - - - 2157 2.975 31.878 1.960 1 U 1.370E+05 0.000E+00 e 0 - - - 2158 8.550 31.958 1.956 1 U 5.650E+04 0.000E+00 e 0 - - - 2159 8.263 58.348 4.429 1 U 1.830E+06 0.000E+00 e 0 - - - 2160 7.952 58.319 4.432 1 U 1.200E+05 0.000E+00 e 0 - - - 2161 4.884 58.371 4.427 1 U 2.130E+05 0.000E+00 e 0 - - - 2162 4.436 58.432 4.435 1 U 4.500E+07 0.000E+00 e 0 - - - 2163 3.874 58.455 4.436 1 U 6.710E+05 0.000E+00 e 0 - - - 2164 3.297 58.329 4.430 1 U 2.580E+05 0.000E+00 e 0 - - - 2165 1.929 58.331 4.429 1 U 6.130E+05 0.000E+00 e 0 - - - 2166 1.153 58.369 4.432 1 U 1.130E+05 0.000E+00 e 0 - - - 2167 0.922 58.382 4.431 1 U 1.230E+05 0.000E+00 e 0 - - - # 2168 0.846 58.295 4.430 1 U 8.270E+04 0.000E+00 e 0 - - - 2169 0.744 58.329 4.428 1 U 1.430E+05 0.000E+00 e 0 - - - 2170 0.637 58.296 4.432 1 U 7.380E+04 0.000E+00 e 0 - - - 2171 0.514 58.326 4.430 1 U 2.320E+05 0.000E+00 e 0 - - - 2172 0.220 58.316 4.430 1 U 1.890E+05 0.000E+00 e 0 - - - 2173 0.634 17.479 0.633 1 U 7.340E+07 0.000E+00 e 0 - - - 2174 1.053 17.470 0.633 1 U 4.490E+05 0.000E+00 e 0 - - - 2175 1.244 17.480 0.633 1 U 4.870E+05 0.000E+00 e 0 - - - 2176 1.630 17.475 0.633 1 U 1.190E+06 0.000E+00 e 0 - - - 2177 1.921 17.483 0.630 1 U 1.040E+05 0.000E+00 e 0 - - - 2178 2.037 17.331 0.632 1 U 1.760E+05 0.000E+00 e 0 - - - 2179 2.253 17.488 0.636 1 U 1.870E+05 0.000E+00 e 0 - - - 2180 2.321 17.493 0.635 1 U 1.430E+05 0.000E+00 e 0 - - - 2181 2.582 17.496 0.635 1 U 9.120E+04 0.000E+00 e 0 - - - 2182 2.696 17.487 0.635 1 U 9.860E+04 0.000E+00 e 0 - - - 2183 2.945 17.450 0.637 1 U 5.900E+04 0.000E+00 e 0 - - - 2184 4.207 17.478 0.633 1 U 7.600E+05 0.000E+00 e 0 - - - 2185 4.371 17.479 0.633 1 U 8.200E+05 0.000E+00 e 0 - - - # 2186 4.596 17.443 0.637 1 U 6.280E+04 0.000E+00 e 0 - - - 2187 4.841 17.449 0.633 1 U 4.720E+04 0.000E+00 e 0 - - - 2188 5.139 17.473 0.631 1 U 8.240E+04 0.000E+00 e 0 - - - 2189 7.596 17.481 0.632 1 U 1.880E+05 0.000E+00 e 0 - - - 2190 8.018 17.462 0.635 1 U 7.910E+04 0.000E+00 e 0 - - - 2191 8.260 17.481 0.634 1 U 5.130E+05 0.000E+00 e 0 - - - 2192 8.488 17.509 0.635 1 U 1.600E+05 0.000E+00 e 0 - - - 2193 8.582 17.503 0.632 1 U 8.950E+04 0.000E+00 e 0 - - - 2194 1.052 26.637 1.052 1 U 1.020E+07 0.000E+00 e 0 - - - 2195 1.053 26.632 1.244 1 U 3.020E+06 0.000E+00 e 0 - - - 2196 1.242 26.638 1.050 1 U 2.800E+06 0.000E+00 e 0 - - - 2197 1.630 26.634 1.051 1 U 3.660E+05 0.000E+00 e 0 - - - 2198 0.683 26.621 1.050 1 U 4.660E+05 0.000E+00 e 0 - - - 2199 0.684 26.640 1.244 1 U 8.500E+05 0.000E+00 e 0 - - - 2200 0.640 26.640 1.242 1 U 4.600E+05 0.000E+00 e 0 - - - 2201 0.642 26.640 1.050 1 U 3.670E+05 0.000E+00 e 0 - - - 2202 2.703 26.593 1.243 1 U 5.090E+04 0.000E+00 e 0 - - - 2203 2.691 26.594 1.049 1 U 8.660E+04 0.000E+00 e 0 - - - 2204 2.589 26.698 1.055 1 U 5.150E+04 0.000E+00 e 0 - - - # 2205 2.601 26.696 1.246 1 U 4.160E+04 0.000E+00 e 0 - - - 2206 2.977 26.689 1.054 1 U 4.700E+04 0.000E+00 e 0 - - - 2207 4.370 26.616 1.243 1 U 1.170E+05 0.000E+00 e 0 - - - 2208 4.365 26.638 1.051 1 U 1.680E+05 0.000E+00 e 0 - - - 2209 8.256 26.674 1.245 1 U 6.740E+04 0.000E+00 e 0 - - - 2210 8.250 26.592 1.056 1 U 5.730E+04 0.000E+00 e 0 - - - 2211 0.690 12.224 0.691 1 U 7.840E+07 0.000E+00 e 0 - - - 2212 1.051 12.222 0.691 1 U 6.820E+05 0.000E+00 e 0 - - - 2213 1.241 12.228 0.691 1 U 8.030E+05 0.000E+00 e 0 - - - 2214 1.630 12.221 0.690 1 U 3.310E+05 0.000E+00 e 0 - - - 2215 2.017 12.235 0.690 1 U 1.800E+05 0.000E+00 e 0 - - - 2216 2.242 12.235 0.692 1 U 2.110E+05 0.000E+00 e 0 - - - 2217 2.325 12.231 0.692 1 U 1.280E+05 0.000E+00 e 0 - - - 2218 2.692 12.241 0.692 1 U 1.280E+05 0.000E+00 e 0 - - - 2219 2.960 12.158 0.692 1 U 6.990E+04 0.000E+00 e 0 - - - 2220 4.204 12.234 0.691 1 U 2.260E+05 0.000E+00 e 0 - - - 2221 4.374 12.225 0.690 1 U 7.520E+05 0.000E+00 e 0 - - - 2222 5.144 12.188 0.690 1 U 6.060E+04 0.000E+00 e 0 - - - 2223 7.588 12.252 0.689 1 U 9.130E+04 0.000E+00 e 0 - - - 2224 8.032 12.209 0.692 1 U 7.030E+04 0.000E+00 e 0 - - - 2225 8.260 12.253 0.691 1 U 1.000E+05 0.000E+00 e 0 - - - 2226 8.486 12.230 0.693 1 U 7.670E+04 0.000E+00 e 0 - - - 2227 8.650 12.248 0.692 1 U 6.600E+04 0.000E+00 e 0 - - - 2228 2.697 40.630 1.634 1 U 6.510E+04 0.000E+00 e 0 - - - 2229 1.242 40.717 1.631 1 U 3.940E+05 0.000E+00 e 0 - - - 2230 1.051 40.741 1.631 1 U 3.120E+05 0.000E+00 e 0 - - - 2231 0.638 40.709 1.631 1 U 6.940E+05 0.000E+00 e 0 - - - 2232 0.648 58.841 4.361 1 U 5.730E+05 0.000E+00 e 0 - - - 2233 0.518 58.924 4.354 1 U 7.930E+04 0.000E+00 e 0 - - - 2234 1.058 58.862 4.361 1 U 1.700E+05 0.000E+00 e 0 - - - 2235 1.131 58.836 4.361 1 U 1.460E+05 0.000E+00 e 0 - - - 2236 1.244 58.842 4.363 1 U 1.270E+05 0.000E+00 e 0 - - - 2237 1.458 58.840 4.355 1 U 6.420E+04 0.000E+00 e 0 - - - 2238 1.630 58.841 4.361 1 U 4.010E+05 0.000E+00 e 0 - - - 2239 1.938 58.858 4.361 1 U 1.130E+05 0.000E+00 e 0 - - - 2240 3.299 58.833 4.367 1 U 8.760E+04 0.000E+00 e 0 - - - 2241 4.365 58.845 4.361 1 U 8.720E+06 0.000E+00 e 0 - - - 2242 7.596 58.839 4.361 1 U 2.660E+05 0.000E+00 e 0 - - - 2243 8.019 58.848 4.362 1 U 3.130E+05 0.000E+00 e 0 - - - 2244 8.259 58.847 4.361 1 U 1.330E+06 0.000E+00 e 0 - - - 2245 7.577 39.154 2.830 1 U 1.790E+05 0.000E+00 e 0 - - - 2246 7.578 39.193 2.711 1 U 1.840E+05 0.000E+00 e 0 - - - 2247 7.700 39.137 2.723 1 U 2.890E+05 0.000E+00 e 0 - - - 2248 6.883 39.249 2.711 1 U 5.750E+04 0.000E+00 e 0 - - - 2249 6.880 39.073 2.837 1 U 4.990E+04 0.000E+00 e 0 - - - 2250 4.808 39.145 2.722 1 U 4.480E+05 0.000E+00 e 0 - - - 2251 2.706 39.201 2.711 1 U 2.540E+07 0.000E+00 e 0 - - - 2252 2.834 39.201 2.840 1 U 3.000E+07 0.000E+00 e 0 - - - 2253 1.386 39.298 2.712 1 U 5.780E+04 0.000E+00 e 0 - - - 2254 7.098 39.111 2.722 1 U 8.090E+04 0.000E+00 e 0 - - - 2255 7.100 39.149 2.957 1 U 1.090E+05 0.000E+00 e 0 - - - 2256 8.260 39.228 2.712 1 U 1.140E+05 0.000E+00 e 0 - - - 2257 8.182 39.179 2.717 1 U 7.940E+04 0.000E+00 e 0 - - - 2258 8.262 39.212 2.825 1 U 9.570E+04 0.000E+00 e 0 - - - 2259 8.483 39.153 2.722 1 U 2.030E+05 0.000E+00 e 0 - - - 2260 2.959 39.135 2.721 1 U 3.070E+06 0.000E+00 e 0 - - - 2261 1.368 19.252 1.368 1 U 1.430E+08 0.000E+00 e 0 - - - 2262 1.402 19.127 1.402 1 U 1.930E+08 0.000E+00 e 0 - - - 2263 2.692 19.224 1.368 1 U 9.320E+04 0.000E+00 e 0 - - - 2264 4.328 19.245 1.369 1 U 9.400E+05 0.000E+00 e 0 - - - 2265 8.289 19.259 1.367 1 U 2.230E+05 0.000E+00 e 0 - - - 2266 8.271 52.677 4.328 1 U 2.930E+05 0.000E+00 e 0 - - - 2267 4.326 52.652 4.325 1 U 6.050E+07 0.000E+00 e 0 - - - 2268 2.682 52.685 4.335 1 U 7.150E+04 0.000E+00 e 0 - - - 2269 1.371 52.680 4.330 1 U 8.740E+05 0.000E+00 e 0 - - - 2270 6.112 52.446 4.305 1 U 4.790E+04 0.000E+00 e 0 - - - 2271 8.282 64.039 3.882 1 U 7.640E+04 0.000E+00 e 0 - - - 2272 4.436 64.029 3.890 1 U 3.970E+05 0.000E+00 e 0 - - - 2273 4.436 64.036 3.845 1 U 3.900E+05 0.000E+00 e 0 - - - 2274 3.890 64.017 3.890 1 U 3.170E+07 0.000E+00 e 0 - - - 2275 3.832 64.017 3.843 1 U 2.660E+07 0.000E+00 e 0 - - - 2276 3.830 64.017 3.890 1 U 2.290E+07 0.000E+00 e 0 - - - 2277 3.892 64.017 3.843 1 U 1.990E+07 0.000E+00 e 0 - - - 2278 4.439 58.473 4.439 1 U 4.070E+07 0.000E+00 e 0 - - - 2279 2.822 39.100 2.831 1 U 3.410E+07 0.000E+00 e 0 - - - 2280 2.718 39.100 2.713 1 U 2.540E+07 0.000E+00 e 0 - - - 2281 2.158 33.707 2.262 1 U 6.850E+06 0.000E+00 e 0 - - - 2282 1.967 29.393 1.969 1 U 3.740E+07 0.000E+00 e 0 - - - 2283 2.270 29.208 1.964 1 U 3.260E+05 0.000E+00 e 0 - - - 2284 4.168 29.226 1.972 1 U 2.550E+05 0.000E+00 e 0 - - - 2285 4.325 29.403 1.985 1 U 2.630E+05 0.000E+00 e 0 - - - 2286 8.317 29.456 1.965 1 U 7.980E+04 0.000E+00 e 0 - - - 2287 8.312 29.437 2.101 1 U 7.920E+04 0.000E+00 e 0 - - - 2288 4.330 29.408 2.103 1 U 3.080E+05 0.000E+00 e 0 - - - 2289 4.167 29.243 2.082 1 U 2.810E+05 0.000E+00 e 0 - - - 2290 2.349 29.396 2.101 1 U 8.050E+05 0.000E+00 e 0 - - - 2291 4.314 55.933 4.321 1 U 8.340E+07 0.000E+00 e 0 - - - 2292 1.606 27.072 1.606 1 U 2.380E+07 0.000E+00 e 0 - - - 2293 0.874 27.103 1.610 1 U 2.060E+05 0.000E+00 e 0 - - - 2294 2.139 26.901 1.541 1 U 2.160E+05 0.000E+00 e 0 - - - 2295 4.328 27.133 1.608 1 U 6.660E+04 0.000E+00 e 0 - - - 2296 8.176 27.015 1.604 1 U 5.110E+04 0.000E+00 e 0 - - - 2297 4.333 23.455 0.860 1 U 3.560E+05 0.000E+00 e 0 - - - 2298 3.594 23.461 0.851 1 U 7.580E+04 0.000E+00 e 0 - - - 2299 2.886 23.371 0.855 1 U 5.390E+04 0.000E+00 e 0 - - - 2300 1.600 23.459 0.862 1 U 4.930E+05 0.000E+00 e 0 - - - 2301 0.862 23.441 0.861 1 U 1.920E+08 0.000E+00 e 0 - - - 2302 0.914 25.025 0.914 1 U 1.780E+08 0.000E+00 e 0 - - - 2303 1.598 24.869 0.912 1 U 4.700E+05 0.000E+00 e 0 - - - 2304 4.323 25.024 0.919 1 U 1.320E+05 0.000E+00 e 0 - - - 2305 4.587 24.965 0.924 1 U 9.010E+04 0.000E+00 e 0 - - - 2306 7.350 24.882 0.931 1 U 8.500E+04 0.000E+00 e 0 - - - 2307 8.043 24.966 0.924 1 U 7.590E+04 0.000E+00 e 0 - - - 2308 8.163 25.113 0.914 1 U 8.250E+04 0.000E+00 e 0 - - - 2309 8.175 42.312 1.661 1 U 8.160E+04 0.000E+00 e 0 - - - 2310 8.181 42.246 1.573 1 U 8.300E+04 0.000E+00 e 0 - - - 2311 4.327 42.315 1.661 1 U 2.340E+05 0.000E+00 e 0 - - - 2312 4.328 42.292 1.577 1 U 2.020E+05 0.000E+00 e 0 - - - 2313 1.655 42.303 1.659 1 U 2.040E+07 0.000E+00 e 0 - - - 2314 1.567 42.303 1.576 1 U 1.550E+07 0.000E+00 e 0 - - - 2315 1.571 42.303 1.664 1 U 9.920E+06 0.000E+00 e 0 - - - 2316 1.655 42.303 1.580 1 U 1.080E+07 0.000E+00 e 0 - - - 2317 0.901 42.332 1.660 1 U 1.590E+05 0.000E+00 e 0 - - - 2318 0.903 42.326 1.577 1 U 1.640E+05 0.000E+00 e 0 - - - 2319 0.864 55.343 4.330 1 U 3.820E+05 0.000E+00 e 0 - - - 2320 1.582 55.361 4.331 1 U 5.260E+05 0.000E+00 e 0 - - - 2321 1.643 55.343 4.327 1 U 1.900E+05 0.000E+00 e 0 - - - 2322 4.331 55.403 4.331 1 U 4.740E+07 0.000E+00 e 0 - - - 2323 8.318 55.370 4.329 1 U 2.470E+05 0.000E+00 e 0 - - - 2324 4.330 33.889 2.363 1 U 3.370E+05 0.000E+00 e 0 - - - 2325 2.361 33.992 2.365 1 U 1.250E+08 0.000E+00 e 0 - - - 2326 2.097 29.408 2.101 1 U 4.720E+07 0.000E+00 e 0 - - - 2327 1.988 29.408 1.986 1 U 3.650E+07 0.000E+00 e 0 - - - 2328 3.025 56.203 4.507 1 U 5.640E+05 0.000E+00 e 0 - - - 2329 2.947 56.229 4.507 1 U 7.180E+05 0.000E+00 e 0 - - - 2330 4.509 56.216 4.507 1 U 1.550E+07 0.000E+00 e 0 - - - 2331 2.606 56.225 4.507 1 U 3.110E+05 0.000E+00 e 0 - - - 2332 2.301 56.128 4.507 1 U 1.300E+05 0.000E+00 e 0 - - - 2333 2.071 56.234 4.507 1 U 1.870E+05 0.000E+00 e 0 - - - 2334 7.339 56.215 4.507 1 U 1.370E+05 0.000E+00 e 0 - - - 2335 7.725 56.210 4.506 1 U 4.090E+05 0.000E+00 e 0 - - - 2336 8.538 56.185 4.507 1 U 1.500E+05 0.000E+00 e 0 - - - 2337 1.960 29.661 1.958 1 U 2.900E+07 0.000E+00 e 0 - - - 2338 2.039 29.661 2.039 1 U 2.700E+07 0.000E+00 e 0 - - - 2339 4.234 29.640 1.958 1 U 1.970E+05 0.000E+00 e 0 - - - 2340 2.250 36.163 2.243 1 U 1.800E+07 0.000E+00 e 0 - - - 2341 2.303 36.163 2.310 1 U 2.860E+07 0.000E+00 e 0 - - - 2342 4.238 57.318 4.236 1 U 7.830E+07 0.000E+00 e 0 - - - 2343 4.323 52.964 4.323 1 U 7.390E+07 0.000E+00 e 0 - - - 2344 8.710 52.902 4.317 1 U 5.850E+04 0.000E+00 e 0 - - - 2345 3.881 43.665 3.883 1 U 4.690E+07 0.000E+00 e 0 - - - 2346 3.839 43.665 3.839 1 U 3.910E+07 0.000E+00 e 0 - - - 2347 2.603 36.543 2.603 1 U 1.870E+07 0.000E+00 e 0 - - - 2348 2.295 36.545 2.612 1 U 2.220E+06 0.000E+00 e 0 - - - 2349 2.074 36.540 2.605 1 U 7.700E+05 0.000E+00 e 0 - - - 2350 4.061 36.534 2.608 1 U 1.920E+05 0.000E+00 e 0 - - - 2351 4.507 36.543 2.603 1 U 2.600E+05 0.000E+00 e 0 - - - 2352 7.342 36.542 2.603 1 U 4.460E+05 0.000E+00 e 0 - - - 2353 1.928 21.667 0.792 1 U 1.310E+06 0.000E+00 e 0 - - - 2354 0.792 21.670 0.792 1 U 7.010E+07 0.000E+00 e 0 QG1.403 CG1.403 QG1.403 2355 2.045 21.675 0.793 1 U 2.540E+05 0.000E+00 e 0 - - - 2356 1.763 21.662 0.793 1 U 1.040E+05 0.000E+00 e 0 - - - # 2357 2.380 21.654 0.784 1 U 6.020E+04 0.000E+00 e 0 - - - 2358 2.968 21.656 0.793 1 U 1.700E+05 0.000E+00 e 0 - - - 2359 3.128 21.648 0.795 1 U 7.260E+04 0.000E+00 e 0 - - - 2360 3.862 21.670 0.792 1 U 2.820E+05 0.000E+00 e 0 - - - 2361 4.124 21.669 0.792 1 U 7.340E+05 0.000E+00 e 0 - - - 2362 4.261 21.692 0.794 1 U 1.730E+05 0.000E+00 e 0 - - - 2363 4.558 21.689 0.792 1 U 1.240E+05 0.000E+00 e 0 - - - 2364 4.883 21.668 0.791 1 U 2.550E+05 0.000E+00 e 0 - - - 2365 7.230 21.706 0.795 1 U 7.260E+04 0.000E+00 e 0 - - - 2366 7.644 21.680 0.791 1 U 1.570E+05 0.000E+00 e 0 - - - 2367 7.726 21.664 0.793 1 U 4.320E+05 0.000E+00 e 0 - - - 2368 8.717 21.653 0.792 1 U 1.500E+05 0.000E+00 e 0 - - - 2369 8.154 21.648 0.792 1 U 5.670E+04 0.000E+00 e 0 - - - 2370 4.159 69.955 4.159 1 U 1.350E+07 0.000E+00 e 0 - - - 2371 4.297 69.961 4.158 1 U 9.910E+05 0.000E+00 e 0 - - - 2372 1.118 69.944 4.160 1 U 7.710E+05 0.000E+00 e 0 - - - 2373 3.744 72.884 3.743 1 U 5.770E+06 0.000E+00 e 0 - - - 2374 4.174 72.884 3.744 1 U 6.870E+05 0.000E+00 e 0 - - - 2375 4.535 72.880 3.744 1 U 9.220E+04 0.000E+00 e 0 - - - 2376 4.888 72.879 3.743 1 U 5.060E+05 0.000E+00 e 0 - - - 2377 7.736 72.843 3.744 1 U 7.230E+04 0.000E+00 e 0 - - - 2378 7.949 72.832 3.743 1 U 8.690E+04 0.000E+00 e 0 - - - 2379 8.719 72.892 3.744 1 U 3.970E+05 0.000E+00 e 0 - - - 2380 0.978 72.885 3.744 1 U 8.740E+05 0.000E+00 e 0 - - - 2381 2.133 72.932 3.744 1 U 8.130E+04 0.000E+00 e 0 - - - 2382 1.538 72.933 3.741 1 U 6.790E+04 0.000E+00 e 0 - - - 2383 3.112 72.837 3.747 1 U 4.750E+04 0.000E+00 e 0 - - - 2384 3.042 31.610 1.924 1 U 5.200E+04 0.000E+00 e 0 - - - 2385 2.062 29.769 2.059 1 U 3.080E+07 0.000E+00 e 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 . . 10928.962 Hz . . . 10.47126 . . 34217 1 2 . . C 13 C-aliphatic . . 13368.983 Hz . . . 66.66138 . . 34217 1 3 . . H 1 H-aliphatic . . 9014.423 Hz . . . 5.30621 . . 34217 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 34217 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 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 3 # FORMAT xeasy3D # INAME 1 H # INAME 2 C # INAME 3 HC # SPECTRUM C13NOESY H C HC 2 10.155 127.101 7.265 1 U 1.250E+07 0.000E+00 e 0 HE1.365 CD1.365 HD1.365 3 7.079 126.877 7.080 1 U 1.580E+08 0.000E+00 e 0 - - - 4 7.264 127.092 7.265 1 U 3.430E+08 0.000E+00 e 0 - - - 5 4.606 127.090 7.266 1 U 2.180E+06 0.000E+00 e 0 HA.365 CD1.365 HD1.365 6 3.256 127.102 7.265 1 U 6.540E+06 0.000E+00 e 0 QB.365 CD1.365 HD1.365 7 4.160 127.071 7.265 1 U 1.210E+06 0.000E+00 e 0 - - - 8 8.532 120.977 7.659 1 U 4.850E+05 0.000E+00 e 0 - - - 9 7.661 121.010 7.662 1 U 7.880E+07 0.000E+00 e 0 - - - 10 7.123 120.970 7.668 1 U 5.510E+06 0.000E+00 e 0 - - - 11 4.398 120.987 7.663 1 U 4.300E+06 0.000E+00 e 0 - - - 12 3.462 120.982 7.663 1 U 2.860E+06 0.000E+00 e 0 - - - 13 3.018 121.024 7.658 1 U 5.840E+05 0.000E+00 e 0 - - - 14 1.062 120.958 7.663 1 U 1.530E+06 0.000E+00 e 0 - - - 15 0.541 120.997 7.663 1 U 2.530E+06 0.000E+00 e 0 - - - 16 8.081 121.028 7.603 1 U 5.100E+05 0.000E+00 e 0 - - - 17 7.600 120.952 7.599 1 U 1.780E+08 0.000E+00 e 0 - - - 18 7.120 120.924 7.604 1 U 7.680E+06 0.000E+00 e 0 - - - 19 4.603 120.970 7.597 1 U 1.340E+06 0.000E+00 e 0 - - - 20 4.301 120.991 7.598 1 U 8.660E+05 0.000E+00 e 0 - - - 21 4.079 120.973 7.599 1 U 9.420E+05 0.000E+00 e 0 - - - 22 3.576 120.719 7.611 1 U 3.730E+05 0.000E+00 e 0 - - - 23 3.254 120.959 7.599 1 U 5.170E+06 0.000E+00 e 0 - - - 24 1.694 121.033 7.597 1 U 6.010E+05 0.000E+00 e 0 - - - 25 1.602 121.034 7.603 1 U 5.360E+05 0.000E+00 e 0 - - - 26 1.409 121.127 7.599 1 U 4.270E+05 0.000E+00 e 0 - - - # 27 1.306 120.975 7.598 1 U 3.760E+05 0.000E+00 e 0 - - - 28 1.158 121.092 7.606 1 U 4.040E+05 0.000E+00 e 0 - - - 29 10.155 124.643 7.244 1 U 5.650E+05 0.000E+00 e 0 - - - 30 7.606 124.707 7.238 1 U 8.110E+05 0.000E+00 e 0 - - - 31 7.489 124.826 7.240 1 U 2.980E+07 0.000E+00 e 0 - - - 32 7.241 124.825 7.242 1 U 1.960E+08 0.000E+00 e 0 - - - 33 7.121 124.809 7.243 1 U 1.930E+07 0.000E+00 e 0 - - - 34 4.595 124.776 7.241 1 U 3.050E+05 0.000E+00 e 0 - - - 35 4.347 124.787 7.240 1 U 3.810E+05 0.000E+00 e 0 - - - 36 4.248 124.794 7.239 1 U 3.890E+05 0.000E+00 e 0 - - - 37 4.154 124.711 7.248 1 U 3.390E+05 0.000E+00 e 0 - - - 38 4.097 124.689 7.258 1 U 3.300E+05 0.000E+00 e 0 - - - 39 3.941 124.849 7.239 1 U 5.050E+05 0.000E+00 e 0 - - - 40 3.704 124.886 7.250 1 U 3.100E+05 0.000E+00 e 0 - - - 41 3.039 124.936 7.236 1 U 3.080E+05 0.000E+00 e 0 - - - 42 2.936 124.810 7.241 1 U 4.960E+05 0.000E+00 e 0 - - - 43 2.288 124.650 7.247 1 U 3.940E+05 0.000E+00 e 0 - - - 44 1.968 124.767 7.245 1 U 5.590E+05 0.000E+00 e 0 - - - 45 1.878 124.808 7.241 1 U 5.900E+05 0.000E+00 e 0 - - - 46 1.742 124.862 7.246 1 U 3.530E+05 0.000E+00 e 0 - - - 47 1.597 124.657 7.249 1 U 3.310E+05 0.000E+00 e 0 - - - 48 0.844 124.798 7.241 1 U 6.330E+05 0.000E+00 e 0 - - - 49 9.988 124.339 7.179 1 U 9.510E+05 0.000E+00 e 0 - - - 50 7.659 124.348 7.183 1 U 1.460E+06 0.000E+00 e 0 - - - 51 7.407 124.359 7.181 1 U 2.950E+07 0.000E+00 e 0 - - - 52 7.180 124.382 7.182 1 U 1.320E+08 0.000E+00 e 0 - - - 53 6.612 124.400 7.183 1 U 4.040E+05 0.000E+00 e 0 - - - 54 3.982 124.323 7.181 1 U 1.090E+06 0.000E+00 e 0 - - - 55 3.077 124.370 7.181 1 U 5.860E+05 0.000E+00 e 0 - - - 56 2.689 124.361 7.180 1 U 4.820E+05 0.000E+00 e 0 - - - 57 1.527 124.183 7.169 1 U 3.160E+05 0.000E+00 e 0 - - - 58 1.418 124.579 7.177 1 U 3.170E+05 0.000E+00 e 0 - - - 59 1.104 124.459 7.184 1 U 4.230E+05 0.000E+00 e 0 - - - 60 0.977 124.431 7.170 1 U 3.490E+05 0.000E+00 e 0 - - - 61 0.738 124.380 7.185 1 U 3.370E+05 0.000E+00 e 0 - - - 62 0.483 124.421 7.174 1 U 5.770E+05 0.000E+00 e 0 - - - 63 7.599 122.124 7.116 1 U 9.170E+06 0.000E+00 e 0 - - - # 64 4.576 122.168 7.118 1 U 3.290E+05 0.000E+00 e 0 - - - 65 4.363 122.009 7.123 1 U 6.450E+05 0.000E+00 e 0 - - - 66 4.256 122.027 7.117 1 U 5.470E+05 0.000E+00 e 0 - - - 67 4.129 122.230 7.114 1 U 5.120E+05 0.000E+00 e 0 - - - 68 4.010 122.335 7.131 1 U 3.820E+05 0.000E+00 e 0 - - - 69 3.938 122.095 7.118 1 U 3.480E+05 0.000E+00 e 0 - - - 70 3.261 122.196 7.113 1 U 3.730E+05 0.000E+00 e 0 - - - 71 2.993 122.181 7.124 1 U 5.600E+05 0.000E+00 e 0 - - - 72 1.960 122.050 7.121 1 U 3.840E+05 0.000E+00 e 0 - - - 73 1.718 122.105 7.127 1 U 5.220E+05 0.000E+00 e 0 - - - 74 1.680 121.981 7.119 1 U 4.960E+05 0.000E+00 e 0 - - - 75 1.577 122.063 7.122 1 U 4.940E+05 0.000E+00 e 0 - - - 76 1.490 121.970 7.114 1 U 3.670E+05 0.000E+00 e 0 - - - 77 1.393 122.170 7.115 1 U 3.900E+05 0.000E+00 e 0 - - - 78 1.239 122.104 7.136 1 U 3.390E+05 0.000E+00 e 0 - - - 79 0.845 122.076 7.117 1 U 3.500E+05 0.000E+00 e 0 - - - 80 7.405 121.667 7.121 1 U 1.920E+06 0.000E+00 e 0 - - - 81 1.076 121.750 7.123 1 U 5.210E+05 0.000E+00 e 0 - - - 82 0.985 121.771 7.130 1 U 3.780E+05 0.000E+00 e 0 - - - 83 0.734 121.538 7.115 1 U 4.260E+05 0.000E+00 e 0 - - - 84 0.533 121.715 7.118 1 U 4.900E+05 0.000E+00 e 0 - - - 85 8.467 120.343 7.012 1 U 6.910E+05 0.000E+00 e 0 - - - 86 7.010 120.321 7.010 1 U 2.210E+08 0.000E+00 e 0 - - - 87 4.635 120.417 7.008 1 U 8.780E+05 0.000E+00 e 0 - - - 88 4.180 120.334 7.009 1 U 3.530E+05 0.000E+00 e 0 - - - 89 3.074 120.308 7.010 1 U 1.790E+06 0.000E+00 e 0 - - - 90 2.982 120.334 7.012 1 U 2.400E+06 0.000E+00 e 0 - - - 91 1.924 120.291 7.012 1 U 5.990E+05 0.000E+00 e 0 - - - 92 1.122 120.486 7.013 1 U 3.360E+05 0.000E+00 e 0 - - - 93 0.830 120.305 7.008 1 U 4.580E+05 0.000E+00 e 0 - - - 94 0.521 120.404 7.025 1 U 3.330E+05 0.000E+00 e 0 - - - 95 8.599 119.117 7.381 1 U 1.740E+06 0.000E+00 e 0 - - - 96 8.060 119.130 7.378 1 U 6.730E+05 0.000E+00 e 0 - - - 97 7.742 119.046 7.379 1 U 6.830E+05 0.000E+00 e 0 - - - 98 7.381 119.101 7.382 1 U 1.700E+08 0.000E+00 e 0 - - - 99 5.144 119.272 7.381 1 U 4.050E+05 0.000E+00 e 0 - - - 100 4.922 119.128 7.377 1 U 6.280E+05 0.000E+00 e 0 - - - 101 4.827 119.139 7.383 1 U 7.710E+05 0.000E+00 e 0 - - - 102 4.634 119.103 7.382 1 U 5.420E+06 0.000E+00 e 0 - - - 103 3.233 119.138 7.382 1 U 1.400E+06 0.000E+00 e 0 - - - 104 2.954 119.105 7.383 1 U 2.630E+06 0.000E+00 e 0 - - - 105 2.304 119.062 7.397 1 U 3.130E+05 0.000E+00 e 0 - - - 106 1.083 119.272 7.377 1 U 4.510E+05 0.000E+00 e 0 - - - 107 1.027 119.548 7.383 1 U 3.820E+05 0.000E+00 e 0 - - - 108 0.868 119.176 7.381 1 U 7.480E+05 0.000E+00 e 0 - - - 109 0.745 119.119 7.381 1 U 8.700E+05 0.000E+00 e 0 - - - 110 0.604 119.121 7.382 1 U 2.690E+06 0.000E+00 e 0 - - - 111 0.326 119.133 7.381 1 U 1.420E+06 0.000E+00 e 0 - - - 112 9.057 118.279 7.314 1 U 7.550E+05 0.000E+00 e 0 - - - 113 7.988 118.367 7.316 1 U 4.000E+05 0.000E+00 e 0 - - - 114 7.887 118.266 7.308 1 U 4.560E+05 0.000E+00 e 0 - - - 115 7.313 118.293 7.315 1 U 1.040E+08 0.000E+00 e 0 - - - 116 4.563 118.302 7.314 1 U 3.050E+06 0.000E+00 e 0 - - - 117 4.425 118.284 7.315 1 U 2.520E+06 0.000E+00 e 0 - - - 118 4.091 118.334 7.314 1 U 1.010E+06 0.000E+00 e 0 - - - 119 3.912 118.305 7.314 1 U 1.220E+06 0.000E+00 e 0 - - - 120 3.459 118.287 7.315 1 U 1.920E+06 0.000E+00 e 0 - - - 121 1.813 118.285 7.314 1 U 2.730E+06 0.000E+00 e 0 - - - 122 1.574 118.310 7.315 1 U 1.290E+06 0.000E+00 e 0 - - - 123 1.253 118.376 7.314 1 U 4.960E+05 0.000E+00 e 0 - - - 124 1.093 118.341 7.313 1 U 6.470E+05 0.000E+00 e 0 - - - 125 0.582 118.586 7.321 1 U 3.760E+05 0.000E+00 e 0 - - - 126 0.535 118.334 7.316 1 U 4.710E+05 0.000E+00 e 0 - - - 127 0.219 118.281 7.315 1 U 1.510E+06 0.000E+00 e 0 - - - 128 10.156 114.732 7.489 1 U 4.190E+06 0.000E+00 e 0 - - - 129 7.489 114.724 7.490 1 U 2.370E+08 0.000E+00 e 0 - - - 130 7.241 114.726 7.492 1 U 3.310E+07 0.000E+00 e 0 - - - 131 7.131 114.695 7.489 1 U 2.360E+06 0.000E+00 e 0 - - - 132 4.639 114.558 7.491 1 U 3.700E+05 0.000E+00 e 0 - - - 133 4.351 114.637 7.491 1 U 4.590E+05 0.000E+00 e 0 - - - 134 4.193 114.770 7.491 1 U 5.090E+05 0.000E+00 e 0 - - - 135 3.801 114.712 7.486 1 U 4.610E+05 0.000E+00 e 0 - - - 136 3.721 114.726 7.489 1 U 4.700E+05 0.000E+00 e 0 - - - 137 3.529 114.813 7.491 1 U 5.340E+05 0.000E+00 e 0 - - - 138 2.939 114.626 7.490 1 U 7.980E+05 0.000E+00 e 0 - - - 139 2.324 114.879 7.488 1 U 3.160E+05 0.000E+00 e 0 - - - 140 2.081 114.827 7.491 1 U 5.260E+05 0.000E+00 e 0 - - - # 141 1.903 114.684 7.489 1 U 4.290E+05 0.000E+00 e 0 - - - 142 1.732 114.860 7.497 1 U 4.260E+05 0.000E+00 e 0 - - - 143 1.609 114.674 7.492 1 U 4.150E+05 0.000E+00 e 0 - - - 144 1.414 114.690 7.487 1 U 4.090E+05 0.000E+00 e 0 - - - 145 1.222 114.714 7.494 1 U 3.490E+05 0.000E+00 e 0 - - - 146 1.087 114.752 7.492 1 U 5.080E+05 0.000E+00 e 0 - - - 147 0.842 114.690 7.487 1 U 5.420E+05 0.000E+00 e 0 - - - 148 9.988 114.170 7.408 1 U 5.390E+06 0.000E+00 e 0 - - - 149 7.675 114.150 7.411 1 U 5.270E+05 0.000E+00 e 0 - - - 150 7.407 114.172 7.408 1 U 1.280E+08 0.000E+00 e 0 - - - 151 7.179 114.168 7.409 1 U 3.190E+07 0.000E+00 e 0 - - - 152 3.983 114.151 7.408 1 U 4.390E+06 0.000E+00 e 0 - - - 153 3.867 114.126 7.411 1 U 4.060E+05 0.000E+00 e 0 - - - 154 3.077 114.173 7.410 1 U 1.130E+06 0.000E+00 e 0 - - - 155 2.685 114.145 7.409 1 U 1.730E+06 0.000E+00 e 0 - - - 156 2.574 114.171 7.426 1 U 4.680E+05 0.000E+00 e 0 - - - 157 1.310 114.299 7.399 1 U 3.180E+05 0.000E+00 e 0 - - - 158 1.125 114.189 7.404 1 U 6.620E+05 0.000E+00 e 0 - - - 159 0.987 114.047 7.406 1 U 4.100E+05 0.000E+00 e 0 - - - 160 0.936 114.412 7.414 1 U 4.390E+05 0.000E+00 e 0 - - - 161 0.725 114.174 7.409 1 U 5.610E+05 0.000E+00 e 0 - - - 162 0.484 114.210 7.408 1 U 1.300E+06 0.000E+00 e 0 - - - 163 7.856 137.762 7.857 1 U 1.670E+08 0.000E+00 e 0 - - - 164 1.896 137.770 7.862 1 U 5.030E+05 0.000E+00 e 0 - - - 165 1.745 137.825 7.854 1 U 4.700E+05 0.000E+00 e 0 - - - 166 1.040 137.635 7.860 1 U 3.180E+05 0.000E+00 e 0 - - - 167 0.956 138.063 7.857 1 U 3.090E+05 0.000E+00 e 0 - - - 168 0.829 137.762 7.854 1 U 7.620E+05 0.000E+00 e 0 - - - 169 0.745 137.759 7.853 1 U 7.160E+05 0.000E+00 e 0 - - - 170 9.143 137.748 7.753 1 U 3.810E+05 0.000E+00 e 0 - - - 171 8.490 137.863 7.751 1 U 7.330E+05 0.000E+00 e 0 - - - 172 7.748 137.859 7.749 1 U 1.250E+08 0.000E+00 e 0 - - - 173 7.379 137.795 7.747 1 U 6.530E+05 0.000E+00 e 0 - - - 174 4.860 137.842 7.749 1 U 1.140E+06 0.000E+00 e 0 - - - 175 3.337 137.855 7.749 1 U 5.210E+06 0.000E+00 e 0 - - - 176 3.091 137.863 7.747 1 U 8.460E+05 0.000E+00 e 0 - - - 177 2.957 137.824 7.750 1 U 5.570E+05 0.000E+00 e 0 - - - 178 2.764 137.858 7.749 1 U 1.420E+07 0.000E+00 e 0 - - - 179 2.508 138.097 7.757 1 U 3.630E+05 0.000E+00 e 0 - - - # 180 0.999 137.778 7.740 1 U 4.710E+05 0.000E+00 e 0 - - - 181 0.876 137.864 7.749 1 U 1.240E+06 0.000E+00 e 0 - - - 182 0.604 137.960 7.751 1 U 3.320E+05 0.000E+00 e 0 - - - 183 0.326 137.867 7.749 1 U 3.560E+06 0.000E+00 e 0 - - - 184 8.587 138.402 7.323 1 U 1.550E+06 0.000E+00 e 0 - - - 185 8.261 138.435 7.327 1 U 1.220E+06 0.000E+00 e 0 - - - 186 7.981 138.578 7.332 1 U 3.980E+05 0.000E+00 e 0 - - - 187 7.975 138.475 7.323 1 U 3.920E+05 0.000E+00 e 0 - - - 188 7.325 138.426 7.325 1 U 1.080E+08 0.000E+00 e 0 - - - 189 7.203 138.424 7.326 1 U 2.710E+06 0.000E+00 e 0 - - - 190 6.983 138.439 7.312 1 U 3.160E+05 0.000E+00 e 0 - - - 191 5.130 138.370 7.327 1 U 4.980E+05 0.000E+00 e 0 - - - 192 4.577 138.421 7.330 1 U 3.720E+05 0.000E+00 e 0 - - - 193 4.402 138.409 7.325 1 U 7.280E+05 0.000E+00 e 0 - - - 194 4.079 138.459 7.325 1 U 4.800E+05 0.000E+00 e 0 - - - 195 3.910 138.438 7.332 1 U 3.130E+05 0.000E+00 e 0 - - - 196 3.439 138.617 7.332 1 U 3.330E+05 0.000E+00 e 0 - - - 197 3.296 138.426 7.326 1 U 3.980E+06 0.000E+00 e 0 - - - 198 2.938 138.422 7.325 1 U 6.170E+06 0.000E+00 e 0 - - - 199 1.926 138.431 7.326 1 U 3.540E+06 0.000E+00 e 0 - - - 200 1.239 138.425 7.322 1 U 6.440E+05 0.000E+00 e 0 - - - 201 1.108 138.410 7.327 1 U 4.560E+05 0.000E+00 e 0 - - - 202 0.215 138.419 7.326 1 U 8.980E+05 0.000E+00 e 0 - - - 203 7.327 131.319 7.330 1 U 2.650E+08 0.000E+00 e 0 - - - 204 4.812 131.591 7.330 1 U 3.330E+05 0.000E+00 e 0 - - - 205 4.252 131.500 7.323 1 U 4.540E+05 0.000E+00 e 0 - - - 206 4.012 131.486 7.327 1 U 3.080E+05 0.000E+00 e 0 - - - 207 3.152 131.359 7.334 1 U 6.420E+05 0.000E+00 e 0 - - - 208 2.935 131.355 7.328 1 U 6.990E+05 0.000E+00 e 0 - - - 209 2.383 131.300 7.328 1 U 6.900E+05 0.000E+00 e 0 - - - 210 2.038 131.314 7.332 1 U 7.740E+05 0.000E+00 e 0 - - - 211 1.841 131.376 7.336 1 U 3.840E+05 0.000E+00 e 0 - - - 212 1.048 131.098 7.330 1 U 5.390E+05 0.000E+00 e 0 - - - 213 0.933 131.392 7.328 1 U 1.230E+06 0.000E+00 e 0 - - - 214 0.718 131.420 7.328 1 U 6.570E+05 0.000E+00 e 0 - - - 215 8.486 132.019 7.219 1 U 5.850E+05 0.000E+00 e 0 - - - 216 7.647 131.989 7.228 1 U 1.010E+06 0.000E+00 e 0 - - - 217 7.219 132.053 7.221 1 U 3.490E+08 0.000E+00 e 0 - - - 218 4.860 132.078 7.221 1 U 2.790E+06 0.000E+00 e 0 - - - 219 4.144 132.101 7.221 1 U 1.120E+06 0.000E+00 e 0 - - - 220 3.847 132.112 7.219 1 U 5.370E+05 0.000E+00 e 0 - - - 221 3.153 132.059 7.220 1 U 3.600E+06 0.000E+00 e 0 - - - 222 2.949 132.073 7.221 1 U 4.450E+06 0.000E+00 e 0 - - - 223 2.734 131.920 7.219 1 U 3.710E+05 0.000E+00 e 0 - - - 224 2.372 132.020 7.222 1 U 1.080E+06 0.000E+00 e 0 - - - 225 2.029 132.013 7.219 1 U 9.170E+05 0.000E+00 e 0 - - - 226 1.924 131.946 7.222 1 U 8.190E+05 0.000E+00 e 0 - - - 227 0.930 132.070 7.219 1 U 1.060E+06 0.000E+00 e 0 - - - 228 0.720 132.035 7.219 1 U 1.260E+06 0.000E+00 e 0 - - - 229 7.282 129.778 7.280 1 U 1.820E+08 0.000E+00 e 0 - - - 230 2.916 129.929 7.274 1 U 3.970E+05 0.000E+00 e 0 - - - 231 2.385 129.918 7.281 1 U 4.050E+05 0.000E+00 e 0 - - - 232 2.029 129.740 7.276 1 U 5.050E+05 0.000E+00 e 0 - - - 233 1.874 129.694 7.284 1 U 3.320E+05 0.000E+00 e 0 - - - 234 0.937 129.813 7.278 1 U 7.680E+05 0.000E+00 e 0 - - - # 235 0.799 129.766 7.285 1 U 4.600E+05 0.000E+00 e 0 - - - 236 8.082 127.058 7.265 1 U 1.000E+06 0.000E+00 e 0 - - - 237 4.445 127.258 7.259 1 U 3.700E+05 0.000E+00 e 0 - - - 238 4.315 127.093 7.268 1 U 7.980E+05 0.000E+00 e 0 - - - 239 3.499 127.213 7.261 1 U 3.550E+05 0.000E+00 e 0 - - - 240 2.957 127.257 7.266 1 U 4.190E+05 0.000E+00 e 0 - - - 241 2.866 127.184 7.262 1 U 3.270E+05 0.000E+00 e 0 - - - 242 1.912 127.012 7.265 1 U 7.450E+05 0.000E+00 e 0 - - - # 243 1.700 127.163 7.264 1 U 4.080E+05 0.000E+00 e 0 - - - 244 1.576 127.053 7.266 1 U 7.440E+05 0.000E+00 e 0 - - - 245 1.196 127.100 7.261 1 U 5.450E+05 0.000E+00 e 0 - - - 246 0.825 127.088 7.264 1 U 3.930E+05 0.000E+00 e 0 - - - 247 8.711 126.841 7.079 1 U 1.330E+06 0.000E+00 e 0 - - - 248 8.537 126.881 7.080 1 U 7.910E+05 0.000E+00 e 0 - - - 249 8.140 126.869 7.079 1 U 1.180E+06 0.000E+00 e 0 - - - 250 7.640 126.865 7.073 1 U 6.720E+05 0.000E+00 e 0 - - - 251 4.804 126.878 7.080 1 U 9.030E+05 0.000E+00 e 0 - - - 252 4.396 126.913 7.080 1 U 8.490E+05 0.000E+00 e 0 - - - 253 4.252 126.853 7.081 1 U 8.030E+05 0.000E+00 e 0 - - - 254 4.122 126.891 7.079 1 U 9.590E+05 0.000E+00 e 0 - - - 255 3.984 126.852 7.081 1 U 4.540E+05 0.000E+00 e 0 - - - 256 3.852 126.838 7.076 1 U 8.730E+05 0.000E+00 e 0 - - - 257 3.500 126.873 7.080 1 U 5.390E+06 0.000E+00 e 0 - - - 258 3.331 126.982 7.080 1 U 5.200E+05 0.000E+00 e 0 - - - 259 3.162 126.900 7.080 1 U 2.440E+06 0.000E+00 e 0 - - - 260 2.937 126.866 7.081 1 U 2.010E+06 0.000E+00 e 0 - - - 261 2.673 126.863 7.079 1 U 2.650E+06 0.000E+00 e 0 - - - 262 2.172 126.833 7.085 1 U 5.610E+05 0.000E+00 e 0 - - - 263 2.048 126.856 7.080 1 U 1.150E+06 0.000E+00 e 0 - - - 264 1.284 126.859 7.081 1 U 4.850E+05 0.000E+00 e 0 - - - 265 1.043 126.863 7.080 1 U 3.690E+06 0.000E+00 e 0 - - - 266 0.945 126.847 7.080 1 U 1.030E+06 0.000E+00 e 0 - - - 267 0.727 126.890 7.080 1 U 1.340E+06 0.000E+00 e 0 - - - 268 0.533 126.899 7.080 1 U 7.300E+05 0.000E+00 e 0 - - - 269 7.121 121.748 7.123 1 U 1.680E+08 0.000E+00 e 0 - - - 270 7.121 122.192 7.119 1 U 1.920E+08 0.000E+00 e 0 - - - 271 7.642 121.748 7.116 1 U 6.410E+06 0.000E+00 e 0 - - - 272 4.130 121.083 7.600 1 U 7.780E+05 0.000E+00 e 0 - - - 273 7.589 121.717 7.116 1 U 6.510E+06 0.000E+00 e 0 - - - 274 3.162 114.183 7.406 1 U 7.570E+05 0.000E+00 e 0 - - - 275 3.880 124.445 7.192 1 U 4.010E+05 0.000E+00 e 0 - - - 276 2.706 119.137 7.383 1 U 3.270E+05 0.000E+00 e 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 . . 7874.016 Hz . . . 10.33903 . . 34217 2 2 . . C 13 C-aromatic . . 5000.000 Hz . . . 140.38350 . . 34217 2 3 . . H 1 H-aromatic . . 4901.961 Hz . . . 8.21665 . . 34217 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 34217 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 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 3 # FORMAT xeasy3D # INAME 1 H # INAME 2 N # INAME 3 HN # SPECTRUM N15NOESY H N HN 1 4.303 122.707 8.076 1 U 3.590E+05 0.000E+00 e 0 - - - 2 4.173 122.710 8.089 1 U 2.330E+05 0.000E+00 e 0 - - - 3 8.097 122.721 8.075 1 U 3.850E+05 0.000E+00 e 0 - - - 4 8.227 117.626 8.233 1 U 7.960E+05 0.000E+00 e 0 - - - 5 7.895 123.129 7.897 1 U 1.620E+07 0.000E+00 e 0 - - - 6 4.418 123.131 7.897 1 U 1.780E+06 0.000E+00 e 0 - - - 7 1.801 123.128 7.897 1 U 1.380E+06 0.000E+00 e 0 - - - 8 1.725 123.131 7.896 1 U 1.450E+06 0.000E+00 e 0 - - - 9 1.395 123.132 7.903 1 U 3.030E+05 0.000E+00 e 0 - - - 10 1.312 123.122 7.896 1 U 3.330E+05 0.000E+00 e 0 - - - 11 4.357 123.123 7.897 1 U 7.640E+05 0.000E+00 e 0 HA.371 N.371 H.371 12 4.631 129.412 9.053 1 U 5.300E+06 0.000E+00 e 0 - - - 13 4.976 129.415 9.054 1 U 1.590E+06 0.000E+00 e 0 - - - 14 0.723 129.419 9.052 1 U 7.090E+05 0.000E+00 e 0 - - - 15 0.945 129.413 9.053 1 U 1.070E+06 0.000E+00 e 0 QD2.375 N.375 H.375 16 0.844 129.417 9.052 1 U 4.920E+05 0.000E+00 e 0 - - - 17 1.013 129.411 9.053 1 U 1.250E+06 0.000E+00 e 0 QD1.375 N.375 H.375 18 1.365 129.404 9.052 1 U 1.140E+06 0.000E+00 e 0 - - - 19 1.576 129.411 9.052 1 U 9.080E+05 0.000E+00 e 0 - - - 20 1.776 129.411 9.054 1 U 4.390E+06 0.000E+00 e 0 - - - 21 1.886 129.412 9.053 1 U 1.990E+06 0.000E+00 e 0 HB3.375 N.375 H.375 22 2.276 129.413 9.053 1 U 4.330E+06 0.000E+00 e 0 HB2.375 N.375 H.375 23 1.533 122.001 7.762 1 U 4.170E+05 0.000E+00 e 0 HB3.401 N.401 H.401 24 1.769 121.987 7.759 1 U 9.640E+05 0.000E+00 e 0 HB2.401 N.401 H.401 25 4.591 129.412 9.052 1 U 4.210E+06 0.000E+00 e 0 HA.375 N.375 H.375 26 7.879 119.538 7.880 1 U 1.230E+07 0.000E+00 e 0 - - - 27 4.420 119.550 7.879 1 U 6.150E+05 0.000E+00 e 0 - - - 28 8.722 122.659 8.722 1 U 3.350E+07 0.000E+00 e 0 H.396 N.396 H.396 29 4.265 122.659 8.722 1 U 1.740E+06 0.000E+00 e 0 HA.396 N.396 H.396 30 4.179 122.651 8.722 1 U 9.910E+05 0.000E+00 e 0 - - - 31 3.118 122.659 8.722 1 U 3.520E+06 0.000E+00 e 0 HB2.396 N.396 H.396 32 2.987 122.657 8.722 1 U 2.940E+06 0.000E+00 e 0 HB3.396 N.396 H.396 33 7.759 121.990 7.760 1 U 7.760E+06 0.000E+00 e 0 - - - 34 3.113 121.989 7.761 1 U 6.360E+05 0.000E+00 e 0 - - - 35 0.996 121.973 7.763 1 U 3.140E+05 0.000E+00 e 0 - - - 36 7.937 129.057 7.938 1 U 2.960E+08 0.000E+00 e 0 - - - 37 4.095 129.059 7.938 1 U 8.690E+06 0.000E+00 e 0 - - - 38 4.171 129.073 7.940 1 U 2.010E+06 0.000E+00 e 0 HA.412 N.412 H.412 39 2.057 129.060 7.938 1 U 1.460E+06 0.000E+00 e 0 HB2.412 N.412 H.412 40 1.920 129.061 7.938 1 U 1.550E+06 0.000E+00 e 0 HB3.412 N.412 H.412 41 4.191 124.785 8.458 1 U 6.690E+05 0.000E+00 e 0 - - - 42 4.619 124.778 8.459 1 U 2.230E+05 0.000E+00 e 0 - - - 43 8.457 124.798 8.457 1 U 1.210E+06 0.000E+00 e 0 - - - 44 2.983 124.786 8.455 1 U 3.500E+05 0.000E+00 e 0 - - - 45 7.999 119.518 8.001 1 U 6.290E+05 0.000E+00 e 0 - - - 46 4.648 119.520 8.003 1 U 2.060E+05 0.000E+00 e 0 - - - 47 4.171 119.522 7.993 1 U 2.400E+05 0.000E+00 e 0 HA.362 N.362 H.362 48 7.863 113.299 7.867 1 U 3.340E+05 0.000E+00 e 0 - - - 49 9.053 111.437 8.238 1 U 6.270E+05 0.000E+00 e 0 - - - 50 8.239 111.436 8.239 1 U 6.810E+07 0.000E+00 e 0 - - - 51 8.064 111.437 8.238 1 U 5.230E+06 0.000E+00 e 0 - - - 52 7.480 111.434 8.239 1 U 5.670E+06 0.000E+00 e 0 - - - 53 4.620 111.424 8.238 1 U 2.850E+05 0.000E+00 e 0 - - - 54 4.378 111.431 8.239 1 U 1.460E+06 0.000E+00 e 0 - - - 55 4.260 111.436 8.239 1 U 4.530E+06 0.000E+00 e 0 - - - 56 4.128 111.415 8.241 1 U 2.410E+05 0.000E+00 e 0 - - - 57 3.861 111.434 8.238 1 U 3.630E+05 0.000E+00 e 0 - - - 58 3.373 111.436 8.239 1 U 7.100E+06 0.000E+00 e 0 - - - 59 3.106 111.430 8.238 1 U 6.070E+05 0.000E+00 e 0 - - - 60 2.781 111.450 8.236 1 U 5.400E+05 0.000E+00 e 0 - - - 61 2.373 111.419 8.237 1 U 2.690E+05 0.000E+00 e 0 - - - 62 2.272 111.432 8.239 1 U 9.340E+05 0.000E+00 e 0 - - - 63 1.962 111.447 8.233 1 U 3.770E+05 0.000E+00 e 0 - - - 64 1.887 111.446 8.239 1 U 6.390E+05 0.000E+00 e 0 - - - 65 1.751 111.433 8.239 1 U 1.070E+06 0.000E+00 e 0 - - - 66 1.582 111.429 8.235 1 U 2.470E+05 0.000E+00 e 0 - - - 67 1.565 111.495 8.228 1 U 2.150E+05 0.000E+00 e 0 - - - 68 1.366 111.445 8.239 1 U 5.270E+05 0.000E+00 e 0 - - - 69 1.001 111.419 8.241 1 U 3.610E+05 0.000E+00 e 0 - - - 70 0.964 111.422 8.239 1 U 3.580E+05 0.000E+00 e 0 - - - 71 9.989 110.412 8.141 1 U 1.660E+06 0.000E+00 e 0 - - - 72 8.721 110.402 8.141 1 U 4.560E+05 0.000E+00 e 0 - - - 73 8.508 110.411 8.141 1 U 3.200E+06 0.000E+00 e 0 - - - 74 8.351 110.417 8.139 1 U 5.780E+05 0.000E+00 e 0 - - - 75 8.141 110.409 8.142 1 U 1.090E+08 0.000E+00 e 0 - - - 76 7.731 110.420 8.141 1 U 3.760E+05 0.000E+00 e 0 - - - 77 7.637 110.409 8.142 1 U 3.490E+05 0.000E+00 e 0 - - - 78 7.413 110.408 8.143 1 U 3.380E+05 0.000E+00 e 0 - - - 79 7.192 110.406 8.144 1 U 2.510E+05 0.000E+00 e 0 - - - 80 7.085 110.401 8.141 1 U 7.630E+05 0.000E+00 e 0 - - - 81 4.886 110.409 8.142 1 U 2.430E+06 0.000E+00 e 0 - - - 82 4.326 110.418 8.142 1 U 7.990E+05 0.000E+00 e 0 - - - 83 4.198 110.406 8.146 1 U 2.620E+05 0.000E+00 e 0 - - - 84 3.750 110.408 8.142 1 U 8.290E+05 0.000E+00 e 0 - - - 85 3.201 110.474 8.139 1 U 2.060E+05 0.000E+00 e 0 - - - 86 3.154 110.395 8.137 1 U 2.600E+05 0.000E+00 e 0 - - - 87 3.086 110.401 8.141 1 U 4.930E+05 0.000E+00 e 0 - - - 88 2.692 110.408 8.142 1 U 1.230E+06 0.000E+00 e 0 - - - # 89 2.385 110.405 8.141 1 U 1.010E+06 0.000E+00 e 0 - - - 90 2.216 110.468 8.141 1 U 2.300E+05 0.000E+00 e 0 - - - 91 2.041 110.406 8.142 1 U 9.280E+05 0.000E+00 e 0 - - - 92 0.981 110.409 8.142 1 U 3.010E+06 0.000E+00 e 0 - - - 93 0.723 110.402 8.143 1 U 6.040E+05 0.000E+00 e 0 - - - 94 8.330 108.495 8.223 1 U 2.490E+06 0.000E+00 e 0 - - - 95 8.223 108.495 8.223 1 U 3.410E+07 0.000E+00 e 0 - - - 96 4.315 108.487 8.224 1 U 1.190E+06 0.000E+00 e 0 - - - 97 3.952 108.495 8.223 1 U 1.420E+06 0.000E+00 e 0 - - - 98 3.859 108.497 8.223 1 U 2.000E+06 0.000E+00 e 0 - - - 99 9.062 112.292 7.483 1 U 2.950E+05 0.000E+00 e 0 - - - 100 8.239 112.300 7.482 1 U 4.910E+06 0.000E+00 e 0 - - - 101 8.062 112.301 7.482 1 U 9.450E+05 0.000E+00 e 0 - - - 102 7.481 112.314 7.483 1 U 9.100E+07 0.000E+00 e 0 - - - 103 6.793 112.472 7.485 1 U 5.080E+07 0.000E+00 e 0 - - - 104 4.595 112.310 7.483 1 U 5.240E+05 0.000E+00 e 0 - - - 105 4.381 112.296 7.482 1 U 2.840E+06 0.000E+00 e 0 - - - 106 4.274 112.302 7.482 1 U 1.300E+06 0.000E+00 e 0 - - - 107 3.863 112.298 7.482 1 U 2.530E+06 0.000E+00 e 0 - - - 108 3.373 112.301 7.482 1 U 4.210E+05 0.000E+00 e 0 - - - 109 3.232 112.318 7.481 1 U 2.440E+05 0.000E+00 e 0 - - - 110 3.090 112.300 7.483 1 U 1.650E+06 0.000E+00 e 0 - - - 111 2.987 112.288 7.482 1 U 3.260E+05 0.000E+00 e 0 - - - 112 2.781 112.296 7.482 1 U 3.350E+06 0.000E+00 e 0 - - - 113 2.399 112.296 7.482 1 U 7.490E+05 0.000E+00 e 0 - - - 114 2.277 112.297 7.481 1 U 1.960E+06 0.000E+00 e 0 - - - 115 2.147 112.300 7.481 1 U 8.320E+05 0.000E+00 e 0 - - - 116 1.973 112.296 7.482 1 U 2.510E+06 0.000E+00 e 0 - - - 117 1.891 112.298 7.482 1 U 2.610E+06 0.000E+00 e 0 - - - 118 1.782 112.301 7.482 1 U 7.020E+05 0.000E+00 e 0 - - - 119 1.579 112.251 7.481 1 U 2.290E+05 0.000E+00 e 0 - - - 120 0.993 112.296 7.482 1 U 9.470E+05 0.000E+00 e 0 - - - 121 0.798 112.306 7.484 1 U 3.300E+05 0.000E+00 e 0 - - - # 122 0.702 112.227 7.477 1 U 2.080E+05 0.000E+00 e 0 - - - 123 8.719 114.386 7.645 1 U 2.960E+05 0.000E+00 e 0 - - - 124 8.510 114.371 7.644 1 U 5.190E+05 0.000E+00 e 0 - - - 125 8.137 114.376 7.644 1 U 2.870E+05 0.000E+00 e 0 - - - 126 7.988 114.395 7.640 1 U 2.790E+05 0.000E+00 e 0 - - - 127 7.860 114.378 7.642 1 U 6.040E+05 0.000E+00 e 0 - - - 128 7.643 114.381 7.645 1 U 1.030E+08 0.000E+00 e 0 - - - 129 7.348 114.378 7.644 1 U 1.190E+06 0.000E+00 e 0 - - - 130 7.218 114.336 7.643 1 U 3.310E+05 0.000E+00 e 0 - - - 131 7.095 114.386 7.640 1 U 3.490E+05 0.000E+00 e 0 - - - 132 4.333 114.382 7.645 1 U 4.850E+06 0.000E+00 e 0 - - - 133 4.062 114.381 7.645 1 U 3.490E+05 0.000E+00 e 0 - - - 134 3.077 114.382 7.645 1 U 2.070E+06 0.000E+00 e 0 - - - 135 2.697 114.383 7.644 1 U 3.280E+06 0.000E+00 e 0 - - - # 136 2.392 114.382 7.643 1 U 3.420E+05 0.000E+00 e 0 - - - 137 2.221 114.389 7.642 1 U 3.260E+05 0.000E+00 e 0 - - - # 138 2.069 114.386 7.643 1 U 6.010E+05 0.000E+00 e 0 - - - 139 1.558 114.380 7.645 1 U 1.210E+06 0.000E+00 e 0 - - - 140 1.458 114.379 7.645 1 U 2.160E+06 0.000E+00 e 0 - - - 141 1.046 114.388 7.644 1 U 2.210E+05 0.000E+00 e 0 - - - 142 8.703 115.254 7.582 1 U 3.250E+05 0.000E+00 e 0 - - - 143 7.581 115.243 7.582 1 U 7.040E+07 0.000E+00 e 0 - - - 144 7.346 115.244 7.582 1 U 5.380E+06 0.000E+00 e 0 - - - 145 4.349 115.243 7.583 1 U 2.780E+06 0.000E+00 e 0 - - - 146 4.066 115.246 7.583 1 U 1.270E+06 0.000E+00 e 0 - - - # 147 3.519 115.302 7.582 1 U 2.230E+05 0.000E+00 e 0 - - - 148 3.041 115.253 7.581 1 U 4.900E+05 0.000E+00 e 0 - - - 149 2.694 115.255 7.586 1 U 3.360E+05 0.000E+00 e 0 - - - 150 2.286 115.248 7.580 1 U 3.590E+05 0.000E+00 e 0 - - - 151 2.075 115.240 7.583 1 U 2.370E+06 0.000E+00 e 0 - - - 152 1.559 115.246 7.582 1 U 1.680E+06 0.000E+00 e 0 - - - 153 1.455 115.243 7.583 1 U 3.540E+06 0.000E+00 e 0 - - - 154 8.493 116.032 7.494 1 U 3.820E+06 0.000E+00 e 0 - - - 155 8.261 116.042 7.495 1 U 4.190E+05 0.000E+00 e 0 - - - 156 7.951 116.028 7.494 1 U 2.940E+06 0.000E+00 e 0 - - - 157 7.492 116.026 7.494 1 U 2.870E+07 0.000E+00 e 0 - - - 158 4.849 116.022 7.495 1 U 1.040E+06 0.000E+00 e 0 - - - 159 4.215 116.040 7.494 1 U 5.610E+05 0.000E+00 e 0 - - - 160 3.941 116.036 7.496 1 U 5.640E+05 0.000E+00 e 0 - - - 161 3.263 116.027 7.495 1 U 9.170E+05 0.000E+00 e 0 - - - 162 3.028 116.025 7.495 1 U 1.290E+06 0.000E+00 e 0 - - - 163 2.920 116.028 7.493 1 U 4.900E+05 0.000E+00 e 0 - - - 164 1.952 116.028 7.494 1 U 2.960E+06 0.000E+00 e 0 - - - 165 1.285 116.018 7.494 1 U 2.400E+05 0.000E+00 e 0 - - - 166 1.069 116.031 7.493 1 U 1.340E+06 0.000E+00 e 0 - - - 167 0.746 115.972 7.493 1 U 2.040E+05 0.000E+00 e 0 - - - 168 0.546 116.028 7.495 1 U 2.340E+05 0.000E+00 e 0 - - - 169 9.141 115.685 7.949 1 U 6.710E+05 0.000E+00 e 0 - - - 170 8.723 115.683 7.949 1 U 4.170E+05 0.000E+00 e 0 - - - 171 8.494 115.688 7.950 1 U 3.050E+06 0.000E+00 e 0 - - - 172 8.285 115.710 7.946 1 U 2.960E+05 0.000E+00 e 0 - - - 173 7.950 115.689 7.950 1 U 3.460E+07 0.000E+00 e 0 - - - 174 7.762 115.691 7.949 1 U 1.460E+06 0.000E+00 e 0 - - - 175 4.876 115.707 7.950 1 U 4.900E+05 0.000E+00 e 0 - - - 176 4.598 115.779 7.953 1 U 2.090E+05 0.000E+00 e 0 - - - 177 4.178 115.689 7.950 1 U 6.950E+06 0.000E+00 e 0 - - - 178 3.751 115.690 7.948 1 U 8.520E+05 0.000E+00 e 0 - - - 179 3.344 115.684 7.951 1 U 3.300E+05 0.000E+00 e 0 - - - 180 3.119 115.688 7.950 1 U 2.110E+06 0.000E+00 e 0 - - - 181 2.988 115.682 7.949 1 U 7.520E+05 0.000E+00 e 0 - - - 182 2.774 115.693 7.949 1 U 2.580E+05 0.000E+00 e 0 - - - 183 2.138 115.701 7.950 1 U 9.440E+05 0.000E+00 e 0 - - - 184 1.740 115.677 7.947 1 U 2.140E+05 0.000E+00 e 0 - - - 185 1.529 115.685 7.950 1 U 1.480E+06 0.000E+00 e 0 - - - 186 1.144 115.684 7.957 1 U 2.610E+05 0.000E+00 e 0 - - - 187 0.968 115.682 7.949 1 U 2.580E+05 0.000E+00 e 0 - - - 188 0.884 115.608 7.946 1 U 3.270E+05 0.000E+00 e 0 - - - 189 8.266 117.503 8.265 1 U 2.160E+07 0.000E+00 e 0 - - - 190 4.335 117.502 8.265 1 U 1.600E+06 0.000E+00 e 0 - - - 191 2.826 117.502 8.267 1 U 5.190E+05 0.000E+00 e 0 - - - 192 2.712 117.510 8.266 1 U 8.440E+05 0.000E+00 e 0 - - - 193 1.375 117.486 8.265 1 U 4.060E+05 0.000E+00 e 0 - - - 194 8.328 117.197 8.328 1 U 1.550E+05 0.000E+00 e 0 - - - 195 2.333 117.314 8.324 1 U 2.300E+05 0.000E+00 e 0 - - - 196 8.488 116.982 8.488 1 U 6.070E+07 0.000E+00 e 0 - - - 197 8.262 116.981 8.488 1 U 2.810E+06 0.000E+00 e 0 - - - 198 7.704 116.981 8.486 1 U 4.210E+05 0.000E+00 e 0 - - - 199 7.598 116.982 8.488 1 U 3.170E+06 0.000E+00 e 0 - - - 200 4.813 116.981 8.490 1 U 2.360E+06 0.000E+00 e 0 - - - 201 4.583 116.985 8.488 1 U 2.940E+06 0.000E+00 e 0 - - - 202 2.962 116.985 8.489 1 U 1.640E+06 0.000E+00 e 0 - - - 203 2.717 116.979 8.488 1 U 2.580E+06 0.000E+00 e 0 - - - 204 1.651 116.983 8.490 1 U 3.280E+05 0.000E+00 e 0 - - - 205 1.056 116.991 8.490 1 U 2.190E+05 0.000E+00 e 0 - - - 206 0.637 116.977 8.485 1 U 2.440E+05 0.000E+00 e 0 - - - 207 8.291 116.427 8.291 1 U 1.200E+06 0.000E+00 e 0 - - - 208 3.893 116.441 8.294 1 U 2.270E+05 0.000E+00 e 0 - - - 209 8.715 115.925 8.715 1 U 5.610E+07 0.000E+00 e 0 - - - 210 8.543 115.927 8.715 1 U 3.490E+06 0.000E+00 e 0 - - - 211 8.335 115.938 8.714 1 U 3.070E+05 0.000E+00 e 0 - - - 212 7.722 115.938 8.717 1 U 4.320E+05 0.000E+00 e 0 - - - 213 7.599 115.941 8.717 1 U 4.280E+05 0.000E+00 e 0 - - - 214 7.346 115.930 8.715 1 U 2.700E+06 0.000E+00 e 0 - - - 215 7.084 115.923 8.714 1 U 6.190E+05 0.000E+00 e 0 - - - 216 4.518 115.930 8.716 1 U 4.370E+05 0.000E+00 e 0 - - - 217 4.403 115.926 8.714 1 U 8.390E+05 0.000E+00 e 0 - - - 218 4.137 115.929 8.714 1 U 6.430E+05 0.000E+00 e 0 - - - 219 3.985 115.919 8.715 1 U 9.730E+05 0.000E+00 e 0 - - - 220 3.512 115.927 8.715 1 U 2.640E+06 0.000E+00 e 0 - - - 221 2.939 115.925 8.715 1 U 2.510E+06 0.000E+00 e 0 - - - 222 2.671 115.928 8.715 1 U 1.560E+06 0.000E+00 e 0 - - - 223 2.171 115.924 8.715 1 U 4.310E+06 0.000E+00 e 0 - - - 224 1.721 115.946 8.714 1 U 2.540E+05 0.000E+00 e 0 - - - 225 1.052 115.923 8.714 1 U 4.700E+05 0.000E+00 e 0 - - - 226 9.062 118.087 7.979 1 U 2.800E+05 0.000E+00 e 0 - - - 227 8.533 118.064 7.983 1 U 3.000E+05 0.000E+00 e 0 - - - 228 8.252 118.080 7.985 1 U 2.890E+05 0.000E+00 e 0 - - - 229 7.982 118.085 7.983 1 U 2.560E+07 0.000E+00 e 0 - - - 230 7.326 118.093 7.981 1 U 2.400E+05 0.000E+00 e 0 - - - 231 4.884 118.090 7.983 1 U 2.460E+06 0.000E+00 e 0 - - - 232 4.564 118.086 7.981 1 U 8.700E+05 0.000E+00 e 0 - - - 233 4.437 118.099 7.986 1 U 3.180E+05 0.000E+00 e 0 - - - 234 3.905 118.091 7.983 1 U 1.830E+06 0.000E+00 e 0 - - - 235 3.456 118.091 7.983 1 U 8.070E+05 0.000E+00 e 0 - - - 236 3.305 118.086 7.980 1 U 3.060E+05 0.000E+00 e 0 - - - 237 3.033 118.081 7.982 1 U 8.530E+05 0.000E+00 e 0 - - - 238 2.916 118.077 7.984 1 U 3.880E+05 0.000E+00 e 0 - - - 239 1.860 118.090 7.983 1 U 1.920E+06 0.000E+00 e 0 - - - 240 1.740 118.102 7.983 1 U 4.470E+05 0.000E+00 e 0 - - - 241 1.523 118.086 7.981 1 U 8.550E+05 0.000E+00 e 0 - - - 242 1.074 118.048 7.979 1 U 2.010E+05 0.000E+00 e 0 - - - 243 0.936 118.075 7.980 1 U 2.560E+05 0.000E+00 e 0 - - - 244 0.836 118.084 7.984 1 U 2.410E+05 0.000E+00 e 0 - - - 245 0.754 118.067 7.974 1 U 2.090E+05 0.000E+00 e 0 - - - 246 0.531 118.099 7.982 1 U 2.380E+05 0.000E+00 e 0 - - - 247 0.225 118.087 7.981 1 U 6.510E+05 0.000E+00 e 0 - - - 248 8.489 118.276 7.600 1 U 4.480E+06 0.000E+00 e 0 - - - 249 8.262 118.283 7.599 1 U 9.040E+05 0.000E+00 e 0 - - - 250 8.016 118.280 7.599 1 U 3.290E+05 0.000E+00 e 0 - - - 251 7.598 118.278 7.600 1 U 9.440E+07 0.000E+00 e 0 - - - 252 4.817 118.277 7.601 1 U 2.480E+06 0.000E+00 e 0 - - - 253 4.582 118.277 7.599 1 U 7.560E+05 0.000E+00 e 0 - - - 254 4.371 118.276 7.600 1 U 2.430E+06 0.000E+00 e 0 - - - 255 2.964 118.282 7.600 1 U 6.200E+05 0.000E+00 e 0 - - - # 256 2.832 118.282 7.596 1 U 2.170E+05 0.000E+00 e 0 - - - 257 2.707 118.281 7.601 1 U 9.930E+05 0.000E+00 e 0 - - - 258 1.634 118.278 7.600 1 U 4.140E+06 0.000E+00 e 0 - - - 259 1.473 118.272 7.604 1 U 3.370E+05 0.000E+00 e 0 - - - 260 1.246 118.276 7.600 1 U 1.400E+06 0.000E+00 e 0 - - - 261 1.056 118.277 7.600 1 U 2.390E+06 0.000E+00 e 0 - - - 262 0.642 118.271 7.600 1 U 1.380E+06 0.000E+00 e 0 - - - 263 0.518 118.271 7.599 1 U 9.160E+05 0.000E+00 e 0 - - - 264 0.219 118.269 7.598 1 U 2.360E+05 0.000E+00 e 0 - - - 265 8.722 118.143 7.727 1 U 4.350E+05 0.000E+00 e 0 - - - 266 8.138 118.134 7.725 1 U 2.860E+05 0.000E+00 e 0 - - - 267 7.726 118.141 7.727 1 U 6.530E+07 0.000E+00 e 0 - - - 268 4.888 118.143 7.726 1 U 3.650E+06 0.000E+00 e 0 - - - 269 4.540 118.141 7.726 1 U 1.020E+07 0.000E+00 e 0 - - - 270 4.130 118.141 7.727 1 U 2.350E+06 0.000E+00 e 0 - - - 271 3.754 118.139 7.727 1 U 4.700E+05 0.000E+00 e 0 - - - 272 2.682 118.126 7.734 1 U 2.630E+05 0.000E+00 e 0 - - - 273 2.353 118.144 7.726 1 U 1.590E+06 0.000E+00 e 0 - - - # 274 2.174 118.171 7.727 1 U 2.510E+05 0.000E+00 e 0 - - - 275 2.028 118.147 7.726 1 U 7.810E+05 0.000E+00 e 0 - - - 276 1.932 118.141 7.726 1 U 2.800E+06 0.000E+00 e 0 - - - 277 0.978 118.142 7.726 1 U 1.330E+06 0.000E+00 e 0 - - - 278 0.728 118.142 7.727 1 U 4.730E+06 0.000E+00 e 0 - - - 279 8.715 116.678 7.726 1 U 4.130E+05 0.000E+00 e 0 - - - 280 8.541 116.676 7.726 1 U 3.390E+06 0.000E+00 e 0 - - - 281 8.333 116.671 7.725 1 U 2.710E+06 0.000E+00 e 0 - - - 282 7.726 116.673 7.726 1 U 6.580E+07 0.000E+00 e 0 - - - 283 7.355 116.667 7.721 1 U 2.750E+05 0.000E+00 e 0 - - - 284 4.515 116.670 7.726 1 U 2.660E+06 0.000E+00 e 0 - - - 285 4.362 116.724 7.722 1 U 2.150E+05 0.000E+00 e 0 - - - 286 4.146 116.670 7.726 1 U 1.400E+06 0.000E+00 e 0 - - - 287 3.988 116.676 7.725 1 U 1.070E+06 0.000E+00 e 0 - - - 288 3.521 116.683 7.728 1 U 3.320E+05 0.000E+00 e 0 - - - 289 3.031 116.676 7.726 1 U 4.440E+06 0.000E+00 e 0 - - - 290 2.958 116.667 7.726 1 U 2.760E+06 0.000E+00 e 0 - - - 291 2.148 116.676 7.733 1 U 2.600E+05 0.000E+00 e 0 - - - 292 1.964 116.670 7.726 1 U 3.690E+06 0.000E+00 e 0 - - - 293 1.651 116.670 7.724 1 U 3.700E+05 0.000E+00 e 0 - - - 294 1.474 116.669 7.727 1 U 3.200E+05 0.000E+00 e 0 - - - 295 1.066 116.660 7.731 1 U 2.360E+05 0.000E+00 e 0 - - - # 296 0.979 116.682 7.729 1 U 2.040E+05 0.000E+00 e 0 - - - 297 8.715 117.608 7.346 1 U 2.970E+06 0.000E+00 e 0 - - - 298 8.542 117.601 7.346 1 U 3.820E+05 0.000E+00 e 0 - - - 299 7.581 117.612 7.346 1 U 6.290E+06 0.000E+00 e 0 - - - 300 7.346 117.610 7.346 1 U 9.060E+07 0.000E+00 e 0 - - - 301 4.514 117.612 7.346 1 U 9.970E+05 0.000E+00 e 0 - - - 302 4.400 117.605 7.345 1 U 6.610E+05 0.000E+00 e 0 - - - 303 4.066 117.610 7.346 1 U 3.620E+06 0.000E+00 e 0 - - - 304 3.487 117.608 7.345 1 U 2.370E+05 0.000E+00 e 0 - - - # 305 3.026 117.605 7.348 1 U 2.890E+05 0.000E+00 e 0 - - - 306 2.940 117.611 7.349 1 U 3.790E+05 0.000E+00 e 0 - - - 307 2.608 117.609 7.347 1 U 3.430E+06 0.000E+00 e 0 - - - 308 2.294 117.609 7.346 1 U 2.160E+06 0.000E+00 e 0 - - - 309 2.077 117.611 7.347 1 U 8.330E+06 0.000E+00 e 0 - - - 310 1.705 117.623 7.350 1 U 2.440E+05 0.000E+00 e 0 - - - # 311 1.468 117.598 7.351 1 U 2.990E+05 0.000E+00 e 0 - - - 312 1.407 117.589 7.345 1 U 2.720E+05 0.000E+00 e 0 - - - 313 9.069 112.942 8.886 1 U 4.450E+05 0.000E+00 e 0 - - - 314 8.884 112.948 8.885 1 U 8.180E+06 0.000E+00 e 0 - - - 315 6.843 112.969 8.886 1 U 5.630E+05 0.000E+00 e 0 - - - 316 4.423 112.937 8.877 1 U 2.110E+05 0.000E+00 e 0 - - - 317 4.111 112.976 8.886 1 U 8.320E+05 0.000E+00 e 0 - - - 318 3.921 112.949 8.886 1 U 1.090E+06 0.000E+00 e 0 - - - 319 3.492 112.830 8.868 1 U 2.420E+05 0.000E+00 e 0 - - - 320 3.458 112.982 8.892 1 U 3.760E+05 0.000E+00 e 0 - - - 321 3.456 112.942 8.881 1 U 3.470E+05 0.000E+00 e 0 - - - 322 2.014 112.952 8.885 1 U 8.300E+05 0.000E+00 e 0 - - - 323 1.660 112.953 8.885 1 U 4.960E+05 0.000E+00 e 0 - - - 324 0.981 112.916 8.882 1 U 2.480E+05 0.000E+00 e 0 - - - 325 9.144 119.079 8.497 1 U 1.400E+06 0.000E+00 e 0 - - - 326 8.494 119.084 8.497 1 U 1.070E+07 0.000E+00 e 0 - - - 327 7.949 119.090 8.497 1 U 1.530E+06 0.000E+00 e 0 - - - 328 7.768 119.084 8.501 1 U 2.940E+05 0.000E+00 e 0 - - - 329 4.866 119.067 8.495 1 U 3.620E+05 0.000E+00 e 0 - - - 330 4.175 119.123 8.494 1 U 2.470E+05 0.000E+00 e 0 - - - 331 3.776 119.074 8.497 1 U 2.170E+05 0.000E+00 e 0 - - - 332 3.359 119.105 8.498 1 U 2.370E+05 0.000E+00 e 0 - - - 333 3.119 119.083 8.498 1 U 4.610E+05 0.000E+00 e 0 - - - 334 2.978 119.098 8.486 1 U 2.320E+05 0.000E+00 e 0 - - - 335 2.768 119.082 8.496 1 U 4.730E+05 0.000E+00 e 0 - - - 336 0.887 119.086 8.498 1 U 1.370E+06 0.000E+00 e 0 - - - 337 0.610 119.153 8.471 1 U 2.060E+05 0.000E+00 e 0 - - - 338 0.611 119.096 8.505 1 U 2.390E+05 0.000E+00 e 0 - - - 339 0.329 119.077 8.493 1 U 5.020E+05 0.000E+00 e 0 - - - 340 8.492 118.375 8.492 1 U 2.410E+07 0.000E+00 e 0 - - - 341 8.272 118.375 8.490 1 U 5.500E+05 0.000E+00 e 0 - - - 342 7.951 118.387 8.489 1 U 4.970E+05 0.000E+00 e 0 - - - 343 7.491 118.374 8.492 1 U 3.060E+06 0.000E+00 e 0 - - - 344 4.845 118.371 8.492 1 U 4.060E+05 0.000E+00 e 0 - - - 345 4.212 118.375 8.492 1 U 5.300E+06 0.000E+00 e 0 - - - 346 3.296 118.380 8.490 1 U 5.670E+05 0.000E+00 e 0 - - - 347 3.025 118.379 8.480 1 U 2.120E+05 0.000E+00 e 0 - - - 348 2.585 118.365 8.491 1 U 4.100E+05 0.000E+00 e 0 - - - 349 2.334 118.370 8.492 1 U 9.170E+05 0.000E+00 e 0 - - - 350 1.943 118.389 8.489 1 U 3.780E+05 0.000E+00 e 0 - - - 351 0.644 118.381 8.493 1 U 5.370E+05 0.000E+00 e 0 - - - 352 8.544 119.013 8.329 1 U 3.470E+06 0.000E+00 e 0 - - - 353 8.330 119.009 8.330 1 U 6.980E+07 0.000E+00 e 0 - - - 354 7.726 119.011 8.330 1 U 3.050E+06 0.000E+00 e 0 - - - 355 6.844 118.999 8.331 1 U 5.050E+05 0.000E+00 e 0 - - - 356 4.528 118.994 8.328 1 U 2.360E+05 0.000E+00 e 0 - - - 357 4.417 119.005 8.328 1 U 2.140E+05 0.000E+00 e 0 - - - 358 4.124 119.011 8.330 1 U 2.170E+06 0.000E+00 e 0 - - - 359 3.988 119.012 8.330 1 U 3.640E+06 0.000E+00 e 0 - - - 360 3.850 118.895 8.324 1 U 3.240E+05 0.000E+00 e 0 - - - # 361 3.461 118.975 8.327 1 U 2.240E+05 0.000E+00 e 0 - - - 362 3.021 119.003 8.330 1 U 4.390E+05 0.000E+00 e 0 - - - 363 2.965 119.013 8.328 1 U 4.330E+05 0.000E+00 e 0 - - - 364 2.763 118.896 8.323 1 U 8.030E+05 0.000E+00 e 0 - - - 365 2.153 119.013 8.330 1 U 3.010E+06 0.000E+00 e 0 - - - 366 1.964 119.015 8.330 1 U 7.940E+06 0.000E+00 e 0 - - - 367 1.627 119.011 8.330 1 U 2.550E+06 0.000E+00 e 0 - - - 368 1.484 119.012 8.329 1 U 1.110E+06 0.000E+00 e 0 - - - # 369 0.959 119.007 8.328 1 U 8.520E+05 0.000E+00 e 0 - - - 370 1.968 119.546 8.001 1 U 2.030E+05 0.000E+00 e 0 - - - 371 5.122 119.676 7.857 1 U 2.150E+05 0.000E+00 e 0 - - - 372 2.872 119.562 7.878 1 U 2.630E+05 0.000E+00 e 0 - - - 373 2.776 119.532 7.878 1 U 2.800E+05 0.000E+00 e 0 - - - 374 1.811 119.523 7.881 1 U 6.170E+05 0.000E+00 e 0 - - - 375 1.578 119.542 7.879 1 U 1.150E+06 0.000E+00 e 0 - - - 376 1.275 119.538 7.881 1 U 5.740E+05 0.000E+00 e 0 - - - 377 1.095 119.544 7.880 1 U 3.490E+05 0.000E+00 e 0 - - - 378 0.244 119.358 7.869 1 U 2.070E+05 0.000E+00 e 0 - - - 379 8.478 119.204 7.641 1 U 5.270E+05 0.000E+00 e 0 - - - 380 7.639 119.206 7.640 1 U 7.370E+07 0.000E+00 e 0 - - - 381 7.226 119.192 7.641 1 U 7.460E+05 0.000E+00 e 0 - - - 382 4.864 119.200 7.642 1 U 2.020E+06 0.000E+00 e 0 - - - 383 4.544 119.219 7.639 1 U 4.890E+05 0.000E+00 e 0 - - - 384 4.129 119.205 7.640 1 U 3.500E+06 0.000E+00 e 0 - - - # 385 3.866 119.182 7.638 1 U 2.800E+05 0.000E+00 e 0 - - - 386 3.158 119.208 7.640 1 U 1.200E+06 0.000E+00 e 0 - - - 387 2.958 119.205 7.640 1 U 2.730E+06 0.000E+00 e 0 - - - 388 2.352 119.209 7.640 1 U 6.720E+05 0.000E+00 e 0 - - - 389 2.150 119.208 7.639 1 U 3.110E+05 0.000E+00 e 0 - - - 390 1.930 119.204 7.640 1 U 1.140E+06 0.000E+00 e 0 - - - 391 0.796 119.213 7.640 1 U 9.090E+05 0.000E+00 e 0 - - - 392 0.728 119.201 7.641 1 U 9.410E+05 0.000E+00 e 0 - - - 393 8.574 120.339 7.947 1 U 2.020E+05 0.000E+00 e 0 - - - 394 8.488 120.363 7.953 1 U 7.300E+05 0.000E+00 e 0 - - - 395 8.268 120.358 7.953 1 U 1.730E+06 0.000E+00 e 0 - - - 396 7.952 120.365 7.953 1 U 4.730E+07 0.000E+00 e 0 - - - 397 7.492 120.362 7.953 1 U 3.260E+06 0.000E+00 e 0 - - - 398 7.338 120.366 7.954 1 U 2.630E+05 0.000E+00 e 0 - - - 399 4.434 120.359 7.952 1 U 5.290E+05 0.000E+00 e 0 - - - 400 4.146 120.360 7.954 1 U 9.280E+05 0.000E+00 e 0 - - - 401 3.943 120.358 7.954 1 U 1.750E+06 0.000E+00 e 0 - - - 402 3.290 120.358 7.954 1 U 3.950E+05 0.000E+00 e 0 - - - 403 3.020 120.350 7.955 1 U 2.700E+05 0.000E+00 e 0 - - - 404 2.904 120.359 7.955 1 U 4.840E+05 0.000E+00 e 0 - - - 405 1.954 120.361 7.953 1 U 4.600E+06 0.000E+00 e 0 - - - 406 1.286 120.362 7.954 1 U 2.300E+06 0.000E+00 e 0 - - - 407 1.073 120.361 7.953 1 U 3.010E+06 0.000E+00 e 0 - - - 408 0.927 120.355 7.953 1 U 1.030E+06 0.000E+00 e 0 - - - 409 0.752 120.362 7.954 1 U 1.900E+06 0.000E+00 e 0 - - - 410 0.653 120.365 7.953 1 U 3.050E+05 0.000E+00 e 0 - - - 411 0.552 120.364 7.954 1 U 7.770E+05 0.000E+00 e 0 - - - 412 8.726 122.004 7.757 1 U 2.720E+05 0.000E+00 e 0 - - - 413 7.947 121.992 7.760 1 U 5.660E+05 0.000E+00 e 0 - - - 414 4.179 122.000 7.756 1 U 2.820E+05 0.000E+00 e 0 - - - 415 2.980 121.993 7.754 1 U 2.930E+05 0.000E+00 e 0 - - - 416 1.881 122.003 7.755 1 U 5.450E+05 0.000E+00 e 0 - - - 417 8.152 120.629 8.151 1 U 1.350E+08 0.000E+00 e 0 - - - 418 4.157 120.632 8.151 1 U 1.570E+06 0.000E+00 e 0 - - - 419 2.771 120.629 8.152 1 U 1.770E+06 0.000E+00 e 0 - - - 420 2.054 120.629 8.151 1 U 2.650E+06 0.000E+00 e 0 - - - 421 0.930 120.630 8.151 1 U 2.430E+06 0.000E+00 e 0 - - - 422 8.466 120.852 8.180 1 U 4.010E+05 0.000E+00 e 0 - - - 423 8.182 120.849 8.182 1 U 8.730E+07 0.000E+00 e 0 - - - 424 7.578 120.859 8.177 1 U 2.590E+05 0.000E+00 e 0 - - - # 425 4.340 120.801 8.187 1 U 2.460E+05 0.000E+00 e 0 - - - 426 2.818 120.830 8.182 1 U 7.850E+05 0.000E+00 e 0 - - - 427 2.705 120.848 8.182 1 U 2.380E+06 0.000E+00 e 0 - - - 428 2.601 120.848 8.183 1 U 2.470E+06 0.000E+00 e 0 - - - 429 1.607 120.784 8.190 1 U 2.130E+05 0.000E+00 e 0 - - - 430 1.376 120.891 8.190 1 U 2.070E+05 0.000E+00 e 0 - - - 431 0.239 120.804 8.193 1 U 2.050E+05 0.000E+00 e 0 - - - 432 8.487 120.451 8.261 1 U 4.430E+06 0.000E+00 e 0 - - - 433 8.262 120.449 8.262 1 U 1.480E+08 0.000E+00 e 0 - - - 434 7.589 120.453 8.261 1 U 5.360E+05 0.000E+00 e 0 - - - 435 4.597 120.449 8.261 1 U 8.660E+06 0.000E+00 e 0 - - - 436 2.976 120.320 8.265 1 U 2.010E+05 0.000E+00 e 0 - - - 437 2.824 120.430 8.261 1 U 4.910E+05 0.000E+00 e 0 - - - 438 2.678 120.448 8.261 1 U 5.930E+06 0.000E+00 e 0 - - - 439 1.840 120.462 8.255 1 U 2.200E+05 0.000E+00 e 0 - - - 440 8.726 120.885 8.284 1 U 2.780E+05 0.000E+00 e 0 - - - 441 8.287 120.878 8.287 1 U 5.080E+07 0.000E+00 e 0 - - - 442 7.550 120.894 8.287 1 U 2.200E+05 0.000E+00 e 0 - - - 443 4.333 120.878 8.289 1 U 7.470E+05 0.000E+00 e 0 - - - 444 4.240 120.872 8.287 1 U 1.380E+06 0.000E+00 e 0 - - - 445 2.375 120.832 8.286 1 U 2.610E+05 0.000E+00 e 0 - - - 446 2.255 120.805 8.285 1 U 2.050E+05 0.000E+00 e 0 - - - 447 2.107 120.832 8.292 1 U 3.510E+05 0.000E+00 e 0 - - - 448 2.008 120.875 8.287 1 U 8.500E+05 0.000E+00 e 0 - - - 449 8.619 120.756 8.345 1 U 1.170E+06 0.000E+00 e 0 - - - 450 8.343 120.757 8.345 1 U 7.090E+07 0.000E+00 e 0 - - - 451 8.322 120.636 8.323 1 U 4.610E+07 0.000E+00 e 0 - - - 452 4.333 120.628 8.323 1 U 2.940E+06 0.000E+00 e 0 - - - 453 4.313 120.755 8.343 1 U 1.980E+06 0.000E+00 e 0 - - - 454 4.247 120.761 8.345 1 U 2.290E+06 0.000E+00 e 0 - - - 455 2.752 120.752 8.346 1 U 3.800E+05 0.000E+00 e 0 - - - 456 2.368 120.626 8.325 1 U 4.130E+05 0.000E+00 e 0 - - - 457 2.300 120.781 8.343 1 U 2.840E+05 0.000E+00 e 0 - - - 458 2.104 120.730 8.342 1 U 5.080E+05 0.000E+00 e 0 - - - 459 2.103 120.638 8.322 1 U 4.900E+05 0.000E+00 e 0 - - - 460 1.982 120.635 8.322 1 U 9.710E+05 0.000E+00 e 0 - - - 461 1.827 120.755 8.345 1 U 2.390E+06 0.000E+00 e 0 - - - 462 1.726 120.788 8.348 1 U 2.040E+05 0.000E+00 e 0 - - - 463 1.578 120.623 8.320 1 U 4.070E+05 0.000E+00 e 0 - - - 464 1.571 120.700 8.339 1 U 2.320E+05 0.000E+00 e 0 - - - 465 1.449 120.768 8.345 1 U 8.440E+05 0.000E+00 e 0 - - - 466 8.425 119.908 8.421 1 U 8.580E+05 0.000E+00 e 0 - - - 467 4.331 119.927 8.425 1 U 3.320E+05 0.000E+00 e 0 - - - 468 9.057 120.116 8.605 1 U 2.370E+05 0.000E+00 e 0 - - - 469 8.607 120.126 8.608 1 U 5.780E+07 0.000E+00 e 0 - - - 470 8.228 120.139 8.598 1 U 2.240E+05 0.000E+00 e 0 - - - 471 8.076 120.131 8.606 1 U 6.760E+05 0.000E+00 e 0 - - - 472 7.386 120.123 8.607 1 U 9.110E+05 0.000E+00 e 0 - - - 473 4.977 120.128 8.608 1 U 1.840E+06 0.000E+00 e 0 - - - 474 4.644 120.126 8.608 1 U 3.690E+06 0.000E+00 e 0 - - - 475 3.242 120.123 8.609 1 U 1.080E+06 0.000E+00 e 0 - - - 476 2.961 120.125 8.608 1 U 2.630E+06 0.000E+00 e 0 - - - 477 1.661 120.124 8.608 1 U 2.200E+06 0.000E+00 e 0 - - - 478 1.570 120.125 8.608 1 U 4.050E+06 0.000E+00 e 0 - - - # 479 1.342 120.172 8.605 1 U 2.210E+05 0.000E+00 e 0 - - - 480 1.023 120.118 8.608 1 U 3.320E+05 0.000E+00 e 0 - - - 481 0.928 120.111 8.609 1 U 4.530E+05 0.000E+00 e 0 - - - 482 0.837 120.127 8.608 1 U 9.540E+05 0.000E+00 e 0 - - - 483 0.748 120.128 8.608 1 U 2.120E+06 0.000E+00 e 0 - 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- - 700 0.754 126.990 8.266 1 U 2.370E+06 0.000E+00 e 0 - - - 701 0.622 126.979 8.264 1 U 2.400E+05 0.000E+00 e 0 - - - 702 0.526 126.999 8.266 1 U 3.060E+05 0.000E+00 e 0 - - - 703 9.051 126.967 8.567 1 U 6.870E+05 0.000E+00 e 0 - - - 704 8.564 126.975 8.565 1 U 5.330E+07 0.000E+00 e 0 - - - 705 4.975 126.973 8.566 1 U 3.720E+05 0.000E+00 e 0 - - - 706 4.554 126.975 8.565 1 U 9.080E+06 0.000E+00 e 0 - - - 707 3.143 126.946 8.561 1 U 2.160E+05 0.000E+00 e 0 - - - 708 2.920 126.954 8.563 1 U 2.660E+05 0.000E+00 e 0 - - - 709 1.769 126.976 8.565 1 U 4.860E+06 0.000E+00 e 0 - - - 710 1.572 126.974 8.565 1 U 3.180E+06 0.000E+00 e 0 - - - 711 1.234 126.977 8.564 1 U 1.010E+06 0.000E+00 e 0 - - - # 712 0.954 126.918 8.564 1 U 2.440E+05 0.000E+00 e 0 - - - 713 0.751 126.974 8.564 1 U 4.660E+05 0.000E+00 e 0 - - - 714 8.583 127.969 8.259 1 U 7.420E+05 0.000E+00 e 0 - - - 715 8.475 127.955 8.260 1 U 5.200E+05 0.000E+00 e 0 - - - 716 8.260 127.968 8.260 1 U 4.530E+07 0.000E+00 e 0 - - - 717 8.024 127.969 8.262 1 U 7.110E+05 0.000E+00 e 0 - - - 718 7.597 127.979 8.259 1 U 4.770E+05 0.000E+00 e 0 - - - # 719 7.495 127.982 8.256 1 U 2.100E+05 0.000E+00 e 0 - - - 720 7.335 127.973 8.259 1 U 7.490E+05 0.000E+00 e 0 - - - 721 4.372 127.967 8.260 1 U 8.890E+06 0.000E+00 e 0 - - - 722 4.220 127.967 8.261 1 U 4.830E+05 0.000E+00 e 0 - - - 723 4.121 127.981 8.260 1 U 2.720E+05 0.000E+00 e 0 - - - 724 3.298 127.969 8.260 1 U 4.110E+06 0.000E+00 e 0 - - - 725 2.941 127.947 8.261 1 U 2.750E+05 0.000E+00 e 0 - - - 726 1.934 127.968 8.260 1 U 3.230E+06 0.000E+00 e 0 - - - 727 1.636 127.970 8.261 1 U 1.620E+06 0.000E+00 e 0 - - - 728 1.484 127.935 8.259 1 U 3.040E+05 0.000E+00 e 0 - - - 729 1.250 127.940 8.263 1 U 3.780E+05 0.000E+00 e 0 - - - 730 1.140 127.970 8.260 1 U 1.030E+06 0.000E+00 e 0 - - - 731 0.641 127.970 8.260 1 U 2.130E+06 0.000E+00 e 0 - - - 732 0.526 127.978 8.262 1 U 5.850E+05 0.000E+00 e 0 - - - 733 0.221 127.979 8.260 1 U 5.470E+05 0.000E+00 e 0 - - - 734 8.166 129.053 7.937 1 U 1.660E+06 0.000E+00 e 0 - - - 735 7.481 129.043 7.935 1 U 4.500E+05 0.000E+00 e 0 - - - 736 2.287 129.056 7.939 1 U 1.020E+06 0.000E+00 e 0 - - - 737 0.927 129.058 7.938 1 U 1.920E+06 0.000E+00 e 0 - - - 738 9.054 129.412 9.053 1 U 4.830E+07 0.000E+00 e 0 - - - 739 8.570 129.414 9.054 1 U 4.920E+05 0.000E+00 e 0 - - - 740 8.241 129.406 9.055 1 U 4.060E+05 0.000E+00 e 0 - - - 741 8.074 129.419 9.055 1 U 5.820E+05 0.000E+00 e 0 - - - 742 3.864 129.406 9.051 1 U 6.220E+05 0.000E+00 e 0 - - - 743 3.378 129.480 9.058 1 U 2.220E+05 0.000E+00 e 0 - - - 744 3.222 129.395 9.056 1 U 2.800E+05 0.000E+00 e 0 - - - 745 3.142 129.413 9.052 1 U 3.430E+05 0.000E+00 e 0 - - - 746 2.956 129.457 9.056 1 U 2.480E+05 0.000E+00 e 0 - - - 747 1.230 129.383 9.055 1 U 2.610E+05 0.000E+00 e 0 - - - 748 9.066 125.271 9.066 1 U 5.080E+07 0.000E+00 e 0 - - - 749 8.893 125.273 9.068 1 U 1.480E+06 0.000E+00 e 0 - - - 750 7.989 125.237 9.067 1 U 3.510E+05 0.000E+00 e 0 - - - 751 7.899 125.255 9.070 1 U 4.400E+05 0.000E+00 e 0 - - - 752 7.317 125.280 9.066 1 U 5.690E+05 0.000E+00 e 0 - - - 753 6.839 125.270 9.066 1 U 2.540E+05 0.000E+00 e 0 - - - 754 4.874 125.273 9.064 1 U 2.220E+05 0.000E+00 e 0 - - - 755 4.569 125.274 9.067 1 U 6.470E+06 0.000E+00 e 0 - - - 756 4.454 125.266 9.066 1 U 1.430E+06 0.000E+00 e 0 - - - 757 3.995 125.271 9.067 1 U 3.060E+06 0.000E+00 e 0 - - - 758 3.915 125.272 9.066 1 U 8.790E+05 0.000E+00 e 0 - - - 759 3.457 125.275 9.067 1 U 1.640E+06 0.000E+00 e 0 - - - 760 3.000 125.250 9.067 1 U 2.370E+05 0.000E+00 e 0 - - - 761 2.172 125.276 9.068 1 U 2.860E+05 0.000E+00 e 0 - - - 762 2.014 125.271 9.067 1 U 4.420E+06 0.000E+00 e 0 - - - 763 1.664 125.272 9.067 1 U 6.070E+06 0.000E+00 e 0 - - - 764 1.298 125.262 9.068 1 U 3.690E+05 0.000E+00 e 0 - - - 765 1.217 125.283 9.067 1 U 3.050E+05 0.000E+00 e 0 - - - 766 0.979 125.276 9.065 1 U 1.170E+06 0.000E+00 e 0 - - - 767 0.242 125.295 9.065 1 U 2.280E+05 0.000E+00 e 0 - - - 768 9.053 123.859 9.053 1 U 4.710E+07 0.000E+00 e 0 - - - 769 8.564 123.843 9.052 1 U 4.360E+05 0.000E+00 e 0 - - - 770 8.092 123.856 9.053 1 U 1.650E+06 0.000E+00 e 0 - - - 771 4.965 123.861 9.051 1 U 4.210E+05 0.000E+00 e 0 - - - 772 4.900 123.845 9.055 1 U 3.750E+05 0.000E+00 e 0 - - - 773 4.554 123.857 9.052 1 U 2.890E+06 0.000E+00 e 0 - - - 774 4.464 123.859 9.053 1 U 7.790E+06 0.000E+00 e 0 - - - 775 4.361 123.849 9.045 1 U 3.080E+05 0.000E+00 e 0 - - - 776 3.990 123.849 9.054 1 U 2.530E+05 0.000E+00 e 0 - - - 777 3.932 123.891 9.042 1 U 2.040E+05 0.000E+00 e 0 - - - 778 1.767 123.858 9.053 1 U 4.240E+06 0.000E+00 e 0 - - - 779 1.647 123.851 9.051 1 U 8.340E+05 0.000E+00 e 0 - - - 780 1.565 123.857 9.053 1 U 2.080E+06 0.000E+00 e 0 - - - 781 1.296 123.852 9.053 1 U 5.460E+05 0.000E+00 e 0 - - - 782 1.236 123.858 9.052 1 U 4.420E+05 0.000E+00 e 0 - - - # 783 1.070 123.844 9.054 1 U 2.350E+05 0.000E+00 e 0 - - - 784 0.976 123.862 9.053 1 U 3.200E+05 0.000E+00 e 0 - - - # 785 0.843 123.875 9.048 1 U 2.560E+05 0.000E+00 e 0 - - - 786 0.755 123.854 9.053 1 U 1.530E+06 0.000E+00 e 0 - - - 787 0.211 123.886 9.054 1 U 3.210E+05 0.000E+00 e 0 - - - 788 9.989 129.985 9.986 1 U 9.120E+07 0.000E+00 e 0 - - - 789 8.729 129.979 9.984 1 U 2.230E+05 0.000E+00 e 0 - - - 790 8.141 129.985 9.986 1 U 2.290E+06 0.000E+00 e 0 - - - 791 7.644 129.984 9.982 1 U 3.870E+05 0.000E+00 e 0 - - - 792 7.411 129.987 9.986 1 U 3.380E+06 0.000E+00 e 0 - - - 793 7.181 129.998 9.984 1 U 6.650E+05 0.000E+00 e 0 - - - 794 7.087 129.997 9.986 1 U 7.480E+06 0.000E+00 e 0 - - - 795 4.810 130.055 9.990 1 U 2.170E+05 0.000E+00 e 0 - - - 796 4.266 129.995 9.988 1 U 5.770E+05 0.000E+00 e 0 - - - # 797 4.161 129.973 9.987 1 U 2.730E+05 0.000E+00 e 0 - - - 798 3.989 129.986 9.986 1 U 1.130E+06 0.000E+00 e 0 - - - 799 3.860 129.994 9.987 1 U 5.100E+05 0.000E+00 e 0 - - - 800 3.746 129.994 9.987 1 U 3.060E+05 0.000E+00 e 0 - - - 801 3.515 129.990 9.985 1 U 4.350E+05 0.000E+00 e 0 - - - 802 3.168 129.985 9.986 1 U 1.690E+06 0.000E+00 e 0 - - - 803 3.092 129.984 9.986 1 U 9.790E+05 0.000E+00 e 0 - - - 804 2.959 129.991 9.983 1 U 3.380E+05 0.000E+00 e 0 - - - 805 2.699 129.984 9.986 1 U 2.270E+06 0.000E+00 e 0 - - - 806 2.107 129.931 9.963 1 U 2.200E+05 0.000E+00 e 0 - - - 807 2.052 129.993 9.984 1 U 2.970E+05 0.000E+00 e 0 - - - # 808 1.274 129.988 9.980 1 U 2.320E+05 0.000E+00 e 0 - - - 809 1.040 129.988 9.984 1 U 4.060E+05 0.000E+00 e 0 - - - 810 0.971 129.984 9.986 1 U 5.330E+05 0.000E+00 e 0 - - - 811 0.730 129.981 9.986 1 U 6.300E+05 0.000E+00 e 0 - - - 812 0.497 129.983 9.985 1 U 4.280E+05 0.000E+00 e 0 - - - 813 10.158 129.484 10.155 1 U 9.570E+07 0.000E+00 e 0 - - - 814 7.496 129.490 10.155 1 U 1.910E+06 0.000E+00 e 0 - - - 815 7.269 129.532 10.156 1 U 5.570E+06 0.000E+00 e 0 - - - 816 4.383 129.466 10.152 1 U 2.380E+05 0.000E+00 e 0 - - - 817 4.167 129.479 10.155 1 U 3.430E+05 0.000E+00 e 0 - - - 818 3.943 129.512 10.154 1 U 2.080E+05 0.000E+00 e 0 - - - 819 1.915 129.487 10.153 1 U 4.080E+05 0.000E+00 e 0 - - - 820 0.850 129.488 10.153 1 U 3.260E+05 0.000E+00 e 0 - - - 821 9.065 123.242 6.849 1 U 3.110E+05 0.000E+00 e 0 - - - 822 8.885 123.244 6.844 1 U 1.530E+06 0.000E+00 e 0 - - - 823 8.785 123.279 6.850 1 U 3.310E+05 0.000E+00 e 0 - - - 824 8.545 123.240 6.843 1 U 3.820E+06 0.000E+00 e 0 - - - 825 8.330 123.238 6.843 1 U 4.370E+05 0.000E+00 e 0 - - - 826 7.980 123.250 6.843 1 U 3.710E+05 0.000E+00 e 0 - - - # 827 7.331 123.237 6.844 1 U 2.430E+05 0.000E+00 e 0 - - - 828 6.843 123.240 6.844 1 U 6.090E+07 0.000E+00 e 0 - - - 829 4.569 123.240 6.844 1 U 3.470E+05 0.000E+00 e 0 - - - 830 4.418 123.246 6.844 1 U 3.580E+05 0.000E+00 e 0 - - - 831 4.148 123.241 6.843 1 U 3.040E+06 0.000E+00 e 0 - - - 832 3.907 123.239 6.844 1 U 4.770E+06 0.000E+00 e 0 - - - 833 3.457 123.240 6.843 1 U 2.360E+06 0.000E+00 e 0 - - - 834 3.030 123.239 6.844 1 U 4.240E+06 0.000E+00 e 0 - - - 835 2.906 123.238 6.843 1 U 1.730E+06 0.000E+00 e 0 - - - 836 2.665 123.193 6.832 1 U 2.250E+05 0.000E+00 e 0 - - - 837 2.151 123.257 6.844 1 U 3.420E+05 0.000E+00 e 0 - - - 838 2.007 123.276 6.848 1 U 3.180E+05 0.000E+00 e 0 - - - 839 1.851 123.224 6.843 1 U 3.380E+05 0.000E+00 e 0 - - - 840 1.705 123.236 6.843 1 U 2.560E+05 0.000E+00 e 0 - - - 841 1.570 123.241 6.848 1 U 4.600E+05 0.000E+00 e 0 - - - 842 1.289 123.243 6.848 1 U 2.560E+05 0.000E+00 e 0 - - - 843 1.056 123.229 6.844 1 U 3.960E+05 0.000E+00 e 0 - - - # 844 0.963 123.243 6.845 1 U 2.350E+05 0.000E+00 e 0 - - - # 845 0.575 123.383 6.846 1 U 2.200E+05 0.000E+00 e 0 - - - 846 9.145 121.626 9.147 1 U 2.700E+07 0.000E+00 e 0 - - - 847 8.493 121.624 9.147 1 U 2.800E+06 0.000E+00 e 0 - - - 848 7.951 121.636 9.145 1 U 7.250E+05 0.000E+00 e 0 - - - 849 4.270 121.607 9.145 1 U 3.250E+05 0.000E+00 e 0 - - - 850 3.989 121.617 9.146 1 U 3.880E+05 0.000E+00 e 0 - - - 851 3.862 121.619 9.149 1 U 8.870E+05 0.000E+00 e 0 - - - 852 3.768 121.616 9.147 1 U 1.280E+06 0.000E+00 e 0 - - - 853 3.138 121.608 9.145 1 U 5.490E+05 0.000E+00 e 0 - - - 854 2.966 121.583 9.155 1 U 2.740E+05 0.000E+00 e 0 - - - 855 1.283 121.619 9.145 1 U 7.970E+05 0.000E+00 e 0 - - - 856 1.100 121.624 9.147 1 U 1.670E+06 0.000E+00 e 0 - - - 857 0.885 121.623 9.147 1 U 2.860E+06 0.000E+00 e 0 - - - 858 0.777 121.621 9.145 1 U 1.180E+06 0.000E+00 e 0 - - - 859 0.611 121.613 9.147 1 U 5.820E+05 0.000E+00 e 0 - - - 860 0.478 121.647 9.145 1 U 2.090E+05 0.000E+00 e 0 - - - 861 0.331 121.623 9.147 1 U 6.120E+05 0.000E+00 e 0 - - - 862 8.329 118.900 8.325 1 U 2.860E+07 0.000E+00 e 0 - - - 863 9.058 120.757 8.549 1 U 2.370E+05 0.000E+00 e 0 - - - 864 3.920 120.725 8.546 1 U 4.780E+05 0.000E+00 e 0 - - - 865 0.784 118.149 7.726 1 U 2.560E+06 0.000E+00 e 0 - - - 866 3.223 115.692 7.947 1 U 3.930E+05 0.000E+00 e 0 - - - 867 0.780 110.425 8.142 1 U 3.460E+05 0.000E+00 e 0 - - - 868 4.604 110.425 8.142 1 U 7.040E+05 0.000E+00 e 0 - - - 869 1.398 114.383 7.647 1 U 9.970E+05 0.000E+00 e 0 - - - 870 1.404 115.219 7.583 1 U 2.270E+06 0.000E+00 e 0 - - - 871 0.783 129.993 9.985 1 U 4.110E+05 0.000E+00 e 0 - - - 872 4.896 123.396 8.093 1 U 1.970E+06 0.000E+00 e 0 - - - 873 1.033 119.003 8.328 1 U 5.750E+05 0.000E+00 e 0 - - - 874 1.711 119.003 8.331 1 U 1.280E+06 0.000E+00 e 0 - - - 875 1.869 120.369 7.951 1 U 7.460E+05 0.000E+00 e 0 - - - 876 4.312 113.276 7.856 1 U 2.120E+05 0.000E+00 e 0 - - - 877 4.617 120.858 8.179 1 U 2.910E+06 0.000E+00 e 0 - - - 878 2.267 118.375 8.488 1 U 5.450E+05 0.000E+00 e 0 - - - # 879 7.608 122.719 8.075 1 U 1.910E+05 0.000E+00 e 0 - - - 880 3.254 122.670 8.079 1 U 2.410E+05 0.000E+00 e 0 - - - 881 1.334 126.981 8.566 1 U 5.560E+05 0.000E+00 e 0 - - - 882 2.746 121.874 8.481 1 U 1.690E+06 0.000E+00 e 0 - - - 883 4.635 121.874 8.478 1 U 1.300E+06 0.000E+00 e 0 - - - 884 2.753 129.055 7.935 1 U 2.170E+05 0.000E+00 e 0 - - - # 885 3.978 123.481 8.092 1 U 2.170E+05 0.000E+00 e 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 . . 10928.962 Hz . . . 10.47268 . . 34217 3 2 . . N 15 N . . 2136.752 Hz . . . 130.33929 . . 34217 3 3 . . H 1 HN . . 10901.163 Hz . . . 10.50099 . . 34217 3 stop_ save_