data_31199 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31199 _Entry.Title ; Solution structure of the translation initiation factor IF-1 from Neisseria gonorrhoeae (NCCP11945). Seattle Structural Genomics Center for Infectious Disease target NegoA.17902.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-27 _Entry.Accession_date 2024-08-27 _Entry.Last_release_date 2024-10-14 _Entry.Original_release_date 2024-10-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Buchko G. W. . . 31199 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'NIAID, National Institute of Allergy and Infectious Diseases' 'Seattle Structural Genomics Center for Infectious Disease' SSGCID 31199 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 31199 'RNA BINDING PROTEIN' . 31199 SSGCID . 31199 'Seattle Structural Genomics Center for Infectious Disease' . 31199 'Structural Genomics' . 31199 'protein synthesis' . 31199 'translation initiation' . 31199 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31199 spectral_peak_list 3 31199 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 31199 '15N chemical shifts' 66 31199 '1H chemical shifts' 406 31199 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 . . 2024-10-25 . original BMRB . 31199 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9DCN 'BMRB Entry Tracking System' 31199 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31199 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural characterization of the translation initiation factor IF-1 from Neisseria gonorrhoeae. ; _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 G. Buchko G. W. . . 31199 1 2 W. 'van Voorhis' W. C. . . 31199 1 3 J. Craig J. . . . 31199 1 4 P. Myler P. J. . . 31199 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31199 _Assembly.ID 1 _Assembly.Name 'Translation initiation factor IF-1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31199 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31199 _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 ; MAHHHHHHMAKEDTIQMQGE ILETLPNATFKVKLENDHIV LGHISGKMRMHYIRISPGDK VTVELTPYDLTRARIVFRAR ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9339.878 _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 . MET . 31199 1 2 . ALA . 31199 1 3 . HIS . 31199 1 4 . HIS . 31199 1 5 . HIS . 31199 1 6 . HIS . 31199 1 7 . HIS . 31199 1 8 . HIS . 31199 1 9 . MET . 31199 1 10 . ALA . 31199 1 11 . LYS . 31199 1 12 . GLU . 31199 1 13 . ASP . 31199 1 14 . THR . 31199 1 15 . ILE . 31199 1 16 . GLN . 31199 1 17 . MET . 31199 1 18 . GLN . 31199 1 19 . GLY . 31199 1 20 . GLU . 31199 1 21 . ILE . 31199 1 22 . LEU . 31199 1 23 . GLU . 31199 1 24 . THR . 31199 1 25 . LEU . 31199 1 26 . PRO . 31199 1 27 . ASN . 31199 1 28 . ALA . 31199 1 29 . THR . 31199 1 30 . PHE . 31199 1 31 . LYS . 31199 1 32 . VAL . 31199 1 33 . LYS . 31199 1 34 . LEU . 31199 1 35 . GLU . 31199 1 36 . ASN . 31199 1 37 . ASP . 31199 1 38 . HIS . 31199 1 39 . ILE . 31199 1 40 . VAL . 31199 1 41 . LEU . 31199 1 42 . GLY . 31199 1 43 . HIS . 31199 1 44 . ILE . 31199 1 45 . SER . 31199 1 46 . GLY . 31199 1 47 . LYS . 31199 1 48 . MET . 31199 1 49 . ARG . 31199 1 50 . MET . 31199 1 51 . HIS . 31199 1 52 . TYR . 31199 1 53 . ILE . 31199 1 54 . ARG . 31199 1 55 . ILE . 31199 1 56 . SER . 31199 1 57 . PRO . 31199 1 58 . GLY . 31199 1 59 . ASP . 31199 1 60 . LYS . 31199 1 61 . VAL . 31199 1 62 . THR . 31199 1 63 . VAL . 31199 1 64 . GLU . 31199 1 65 . LEU . 31199 1 66 . THR . 31199 1 67 . PRO . 31199 1 68 . TYR . 31199 1 69 . ASP . 31199 1 70 . LEU . 31199 1 71 . THR . 31199 1 72 . ARG . 31199 1 73 . ALA . 31199 1 74 . ARG . 31199 1 75 . ILE . 31199 1 76 . VAL . 31199 1 77 . PHE . 31199 1 78 . ARG . 31199 1 79 . ALA . 31199 1 80 . ARG . 31199 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 . MET 1 1 31199 1 . ALA 2 2 31199 1 . HIS 3 3 31199 1 . HIS 4 4 31199 1 . HIS 5 5 31199 1 . HIS 6 6 31199 1 . HIS 7 7 31199 1 . HIS 8 8 31199 1 . MET 9 9 31199 1 . ALA 10 10 31199 1 . LYS 11 11 31199 1 . GLU 12 12 31199 1 . ASP 13 13 31199 1 . THR 14 14 31199 1 . ILE 15 15 31199 1 . GLN 16 16 31199 1 . MET 17 17 31199 1 . GLN 18 18 31199 1 . GLY 19 19 31199 1 . GLU 20 20 31199 1 . ILE 21 21 31199 1 . LEU 22 22 31199 1 . GLU 23 23 31199 1 . THR 24 24 31199 1 . LEU 25 25 31199 1 . PRO 26 26 31199 1 . ASN 27 27 31199 1 . ALA 28 28 31199 1 . THR 29 29 31199 1 . PHE 30 30 31199 1 . LYS 31 31 31199 1 . VAL 32 32 31199 1 . LYS 33 33 31199 1 . LEU 34 34 31199 1 . GLU 35 35 31199 1 . ASN 36 36 31199 1 . ASP 37 37 31199 1 . HIS 38 38 31199 1 . ILE 39 39 31199 1 . VAL 40 40 31199 1 . LEU 41 41 31199 1 . GLY 42 42 31199 1 . HIS 43 43 31199 1 . ILE 44 44 31199 1 . SER 45 45 31199 1 . GLY 46 46 31199 1 . LYS 47 47 31199 1 . MET 48 48 31199 1 . ARG 49 49 31199 1 . MET 50 50 31199 1 . HIS 51 51 31199 1 . TYR 52 52 31199 1 . ILE 53 53 31199 1 . ARG 54 54 31199 1 . ILE 55 55 31199 1 . SER 56 56 31199 1 . PRO 57 57 31199 1 . GLY 58 58 31199 1 . ASP 59 59 31199 1 . LYS 60 60 31199 1 . VAL 61 61 31199 1 . THR 62 62 31199 1 . VAL 63 63 31199 1 . GLU 64 64 31199 1 . LEU 65 65 31199 1 . THR 66 66 31199 1 . PRO 67 67 31199 1 . TYR 68 68 31199 1 . ASP 69 69 31199 1 . LEU 70 70 31199 1 . THR 71 71 31199 1 . ARG 72 72 31199 1 . ALA 73 73 31199 1 . ARG 74 74 31199 1 . ILE 75 75 31199 1 . VAL 76 76 31199 1 . PHE 77 77 31199 1 . ARG 78 78 31199 1 . ALA 79 79 31199 1 . ARG 80 80 31199 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31199 _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 . 242231 organism . 'Neisseria gonorrhoeae (strain ATCC 700825 / FA 1090)' 'Neisseria gonorrhoeae (strain ATCC 700825 / FA 1090)' . . Bacteria . Neisseria gonorrhoeae 'ATCC 700825 / FA 1090' . . . . . . . . . . 'infA, NGO1821.1, NGO18211' . 31199 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 31199 _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 BL21' . . 511693 . . . . . . . . . . . . 31199 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31199 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 mM sodium chloride, 20 mM TRIS, 1 mM EDTA, 1 mM DTT, 0.8 mM [U-98% 13C; U-98% 15N] R20, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 4 . . . 31199 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 31199 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 31199 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 31199 1 5 R20 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 31199 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31199 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 mM sodium chloride, 20 mM TRIS, 1 mM EDTA, 1 mM DTT, 0.2 mM [U-10% 13C; U-99% 15N] R20, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 4 . . . 31199 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 31199 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 31199 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 31199 2 5 R20 '[U-10% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.2 . . mM 0.05 . . . 31199 2 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 31199 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 222 5 mM 31199 1 pH 7 0.1 pH 31199 1 pressure 1 . atm 31199 1 temperature 293 0.5 K 31199 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31199 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31199 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31199 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31199 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 'SOLVE 1.3' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 31199 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31199 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31199 _Software.ID 3 _Software.Type . _Software.Name Poky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Manthey, Tonelli, Clos II, Rahimi, Markley and Lee' . . 31199 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31199 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31199 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31199 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31199 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31199 _Software.ID 5 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax' . . 31199 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31199 5 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 31199 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 31199 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Ascend . 700 . . . 31199 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 31199 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 7 '2D 1H-15N HSQC Deuterium Exchange' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 8 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 10 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 11 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31199 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 31199 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 31199 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31199 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31199 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 31199 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aliphatic' . . . 31199 1 2 '2D 1H-15N HSQC' . . . 31199 1 3 '3D 1H-13C NOESY aliphatic' . . . 31199 1 4 '3D 1H-13C NOESY aromatic' . . . 31199 1 5 '3D 1H-15N NOESY' . . . 31199 1 6 '2D 1H-13C HSQC aliphatic' . . . 31199 1 7 '2D 1H-15N HSQC Deuterium Exchange' . . . 31199 1 8 '3D HNCO' . . . 31199 1 9 '3D CBCA(CO)NH' . . . 31199 1 10 '3D HNCACB' . . . 31199 1 11 '3D C(CO)NH' . . . 31199 1 12 '3D 1H-15N TOCSY' . . . 31199 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 9 9 MET HA H 1 4.46 0.02 . 1 . . . . A 9 MET HA . 31199 1 2 . 1 . 1 9 9 MET C C 13 175.4 0.2 . 1 . . . . A 9 MET C . 31199 1 3 . 1 . 1 9 9 MET CA C 13 52.7 0.2 . 1 . . . . A 9 MET CA . 31199 1 4 . 1 . 1 9 9 MET CB C 13 30.2 0.2 . 1 . . . . A 9 MET CB . 31199 1 5 . 1 . 1 9 9 MET CG C 13 29.1 0.2 . 1 . . . . A 9 MET CG . 31199 1 6 . 1 . 1 10 10 ALA H H 1 8.41 0.02 . 1 . . . . A 10 ALA H . 31199 1 7 . 1 . 1 10 10 ALA HA H 1 4.33 0.02 . 1 . . . . A 10 ALA HA . 31199 1 8 . 1 . 1 10 10 ALA HB1 H 1 1.42 0.02 . 1 . . . . A 10 ALA HB1 . 31199 1 9 . 1 . 1 10 10 ALA HB2 H 1 1.42 0.02 . 1 . . . . A 10 ALA HB2 . 31199 1 10 . 1 . 1 10 10 ALA HB3 H 1 1.42 0.02 . 1 . . . . A 10 ALA HB3 . 31199 1 11 . 1 . 1 10 10 ALA CA C 13 49.7 0.2 . 1 . . . . A 10 ALA CA . 31199 1 12 . 1 . 1 10 10 ALA CB C 13 16.4 0.2 . 1 . . . . A 10 ALA CB . 31199 1 13 . 1 . 1 10 10 ALA N N 15 125.6 0.2 . 1 . . . . A 10 ALA N . 31199 1 14 . 1 . 1 11 11 LYS H H 1 8.39 0.02 . 1 . . . . A 11 LYS H . 31199 1 15 . 1 . 1 11 11 LYS C C 13 176.5 0.2 . 1 . . . . A 11 LYS C . 31199 1 16 . 1 . 1 11 11 LYS CA C 13 54.0 0.2 . 1 . . . . A 11 LYS CA . 31199 1 17 . 1 . 1 11 11 LYS CB C 13 30.2 0.2 . 1 . . . . A 11 LYS CB . 31199 1 18 . 1 . 1 11 11 LYS CG C 13 22.2 0.2 . 1 . . . . A 11 LYS CG . 31199 1 19 . 1 . 1 11 11 LYS CD C 13 26.4 0.2 . 1 . . . . A 11 LYS CD . 31199 1 20 . 1 . 1 11 11 LYS CE C 13 39.4 0.2 . 1 . . . . A 11 LYS CE . 31199 1 21 . 1 . 1 11 11 LYS N N 15 120.8 0.2 . 1 . . . . A 11 LYS N . 31199 1 22 . 1 . 1 12 12 GLU H H 1 8.56 0.02 . 1 . . . . A 12 GLU H . 31199 1 23 . 1 . 1 12 12 GLU HA H 1 4.35 0.02 . 1 . . . . A 12 GLU HA . 31199 1 24 . 1 . 1 12 12 GLU HB2 H 1 2.12 0.02 . 2 . . . . A 12 GLU HB2 . 31199 1 25 . 1 . 1 12 12 GLU HB3 H 1 1.96 0.02 . 2 . . . . A 12 GLU HB3 . 31199 1 26 . 1 . 1 12 12 GLU C C 13 175.9 0.2 . 1 . . . . A 12 GLU C . 31199 1 27 . 1 . 1 12 12 GLU CA C 13 53.8 0.02 . 1 . . . . A 12 GLU CA . 31199 1 28 . 1 . 1 12 12 GLU CB C 13 27.6 0.02 . 1 . . . . A 12 GLU CB . 31199 1 29 . 1 . 1 12 12 GLU CG C 13 33.6 0.2 . 1 . . . . A 12 GLU CG . 31199 1 30 . 1 . 1 12 12 GLU N N 15 121.1 0.2 . 1 . . . . A 12 GLU N . 31199 1 31 . 1 . 1 13 13 ASP H H 1 8.34 0.02 . 1 . . . . A 13 ASP H . 31199 1 32 . 1 . 1 13 13 ASP HA H 1 4.69 0.02 . 1 . . . . A 13 ASP HA . 31199 1 33 . 1 . 1 13 13 ASP HB2 H 1 2.76 0.02 . 2 . . . . A 13 ASP HB2 . 31199 1 34 . 1 . 1 13 13 ASP HB3 H 1 2.70 0.02 . 2 . . . . A 13 ASP HB3 . 31199 1 35 . 1 . 1 13 13 ASP C C 13 173.8 0.2 . 1 . . . . A 13 ASP C . 31199 1 36 . 1 . 1 13 13 ASP CA C 13 51.8 0.2 . 1 . . . . A 13 ASP CA . 31199 1 37 . 1 . 1 13 13 ASP CB C 13 38.5 0.2 . 1 . . . . A 13 ASP CB . 31199 1 38 . 1 . 1 13 13 ASP N N 15 121.5 0.2 . 1 . . . . A 13 ASP N . 31199 1 39 . 1 . 1 14 14 THR H H 1 7.89 0.02 . 1 . . . . A 14 THR H . 31199 1 40 . 1 . 1 14 14 THR HA H 1 4.64 0.02 . 1 . . . . A 14 THR HA . 31199 1 41 . 1 . 1 14 14 THR HB H 1 4.08 0.02 . 1 . . . . A 14 THR HB . 31199 1 42 . 1 . 1 14 14 THR HG21 H 1 1.14 0.02 . 1 . . . . A 14 THR HG21 . 31199 1 43 . 1 . 1 14 14 THR HG22 H 1 1.14 0.02 . 1 . . . . A 14 THR HG22 . 31199 1 44 . 1 . 1 14 14 THR HG23 H 1 1.14 0.02 . 1 . . . . A 14 THR HG23 . 31199 1 45 . 1 . 1 14 14 THR C C 13 173.9 0.2 . 1 . . . . A 14 THR C . 31199 1 46 . 1 . 1 14 14 THR CA C 13 58.7 0.2 . 1 . . . . A 14 THR CA . 31199 1 47 . 1 . 1 14 14 THR CB C 13 68.4 0.2 . 1 . . . . A 14 THR CB . 31199 1 48 . 1 . 1 14 14 THR CG2 C 13 19.2 0.2 . 1 . . . . A 14 THR CG2 . 31199 1 49 . 1 . 1 14 14 THR N N 15 112.7 0.2 . 1 . . . . A 14 THR N . 31199 1 50 . 1 . 1 15 15 ILE H H 1 8.78 0.02 . 1 . . . . A 15 ILE H . 31199 1 51 . 1 . 1 15 15 ILE HA H 1 4.43 0.02 . 1 . . . . A 15 ILE HA . 31199 1 52 . 1 . 1 15 15 ILE HB H 1 1.78 0.02 . 1 . . . . A 15 ILE HB . 31199 1 53 . 1 . 1 15 15 ILE HG12 H 1 1.42 0.02 . 2 . . . . A 15 ILE HG12 . 31199 1 54 . 1 . 1 15 15 ILE HG13 H 1 1.03 0.02 . 2 . . . . A 15 ILE HG13 . 31199 1 55 . 1 . 1 15 15 ILE HG21 H 1 0.87 0.02 . 1 . . . . A 15 ILE HG21 . 31199 1 56 . 1 . 1 15 15 ILE HG22 H 1 0.87 0.02 . 1 . . . . A 15 ILE HG22 . 31199 1 57 . 1 . 1 15 15 ILE HG23 H 1 0.87 0.02 . 1 . . . . A 15 ILE HG23 . 31199 1 58 . 1 . 1 15 15 ILE HD11 H 1 0.80 0.02 . 1 . . . . A 15 ILE HD11 . 31199 1 59 . 1 . 1 15 15 ILE HD12 H 1 0.80 0.02 . 1 . . . . A 15 ILE HD12 . 31199 1 60 . 1 . 1 15 15 ILE HD13 H 1 0.80 0.02 . 1 . . . . A 15 ILE HD13 . 31199 1 61 . 1 . 1 15 15 ILE C C 13 174.4 0.2 . 1 . . . . A 15 ILE C . 31199 1 62 . 1 . 1 15 15 ILE CA C 13 57.4 0.2 . 1 . . . . A 15 ILE CA . 31199 1 63 . 1 . 1 15 15 ILE CB C 13 38.2 0.2 . 1 . . . . A 15 ILE CB . 31199 1 64 . 1 . 1 15 15 ILE CG1 C 13 24.2 0.2 . 1 . . . . A 15 ILE CG1 . 31199 1 65 . 1 . 1 15 15 ILE CG2 C 13 15.1 0.2 . 1 . . . . A 15 ILE CG2 . 31199 1 66 . 1 . 1 15 15 ILE CD1 C 13 11.0 0.2 . 1 . . . . A 15 ILE CD1 . 31199 1 67 . 1 . 1 15 15 ILE N N 15 122.3 0.2 . 1 . . . . A 15 ILE N . 31199 1 68 . 1 . 1 16 16 GLN H H 1 8.52 0.02 . 1 . . . . A 16 GLN H . 31199 1 69 . 1 . 1 16 16 GLN HA H 1 5.60 0.02 . 1 . . . . A 16 GLN HA . 31199 1 70 . 1 . 1 16 16 GLN HB2 H 1 1.93 0.02 . 2 . . . . A 16 GLN HB2 . 31199 1 71 . 1 . 1 16 16 GLN HB3 H 1 1.82 0.02 . 2 . . . . A 16 GLN HB3 . 31199 1 72 . 1 . 1 16 16 GLN HG2 H 1 2.44 0.02 . 2 . . . . A 16 GLN HG2 . 31199 1 73 . 1 . 1 16 16 GLN HG3 H 1 2.16 0.02 . 2 . . . . A 16 GLN HG3 . 31199 1 74 . 1 . 1 16 16 GLN HE21 H 1 7.86 0.02 . 2 . . . . A 16 GLN HE21 . 31199 1 75 . 1 . 1 16 16 GLN HE22 H 1 6.81 0.02 . 2 . . . . A 16 GLN HE22 . 31199 1 76 . 1 . 1 16 16 GLN C C 13 175.8 0.2 . 1 . . . . A 16 GLN C . 31199 1 77 . 1 . 1 16 16 GLN CA C 13 51.4 0.2 . 1 . . . . A 16 GLN CA . 31199 1 78 . 1 . 1 16 16 GLN CB C 13 28.1 0.2 . 1 . . . . A 16 GLN CB . 31199 1 79 . 1 . 1 16 16 GLN CG C 13 31.9 0.2 . 1 . . . . A 16 GLN CG . 31199 1 80 . 1 . 1 16 16 GLN N N 15 123.1 0.2 . 1 . . . . A 16 GLN N . 31199 1 81 . 1 . 1 16 16 GLN NE2 N 15 111.2 0.2 . 1 . . . . A 16 GLN NE2 . 31199 1 82 . 1 . 1 17 17 MET H H 1 8.90 0.02 . 1 . . . . A 17 MET H . 31199 1 83 . 1 . 1 17 17 MET HA H 1 4.77 0.02 . 1 . . . . A 17 MET HA . 31199 1 84 . 1 . 1 17 17 MET HB2 H 1 2.14 0.02 . 2 . . . . A 17 MET HB2 . 31199 1 85 . 1 . 1 17 17 MET HB3 H 1 1.75 0.02 . 2 . . . . A 17 MET HB3 . 31199 1 86 . 1 . 1 17 17 MET HG2 H 1 2.60 0.02 . 2 . . . . A 17 MET HG2 . 31199 1 87 . 1 . 1 17 17 MET HG3 H 1 2.46 0.02 . 2 . . . . A 17 MET HG3 . 31199 1 88 . 1 . 1 17 17 MET HE1 H 1 2.06 0.02 . 1 . . . . A 17 MET HE1 . 31199 1 89 . 1 . 1 17 17 MET HE2 H 1 2.06 0.02 . 1 . . . . A 17 MET HE2 . 31199 1 90 . 1 . 1 17 17 MET HE3 H 1 2.06 0.02 . 1 . . . . A 17 MET HE3 . 31199 1 91 . 1 . 1 17 17 MET C C 13 173.6 0.2 . 1 . . . . A 17 MET C . 31199 1 92 . 1 . 1 17 17 MET CA C 13 52.2 0.2 . 1 . . . . A 17 MET CA . 31199 1 93 . 1 . 1 17 17 MET CB C 13 35.6 0.2 . 1 . . . . A 17 MET CB . 31199 1 94 . 1 . 1 17 17 MET CG C 13 29.9 0.2 . 1 . . . . A 17 MET CG . 31199 1 95 . 1 . 1 17 17 MET CE C 13 14.7 0.2 . 1 . . . . A 17 MET CE . 31199 1 96 . 1 . 1 17 17 MET N N 15 121.4 0.2 . 1 . . . . A 17 MET N . 31199 1 97 . 1 . 1 18 18 GLN H H 1 8.98 0.02 . 1 . . . . A 18 GLN H . 31199 1 98 . 1 . 1 18 18 GLN HA H 1 5.13 0.02 . 1 . . . . A 18 GLN HA . 31199 1 99 . 1 . 1 18 18 GLN HB2 H 1 2.20 0.02 . 2 . . . . A 18 GLN HB2 . 31199 1 100 . 1 . 1 18 18 GLN HB3 H 1 1.99 0.02 . 2 . . . . A 18 GLN HB3 . 31199 1 101 . 1 . 1 18 18 GLN HG2 H 1 2.44 0.02 . 2 . . . . A 18 GLN HG2 . 31199 1 102 . 1 . 1 18 18 GLN HG3 H 1 2.44 0.02 . 2 . . . . A 18 GLN HG3 . 31199 1 103 . 1 . 1 18 18 GLN HE21 H 1 7.73 0.02 . 2 . . . . A 18 GLN HE21 . 31199 1 104 . 1 . 1 18 18 GLN HE22 H 1 6.90 0.02 . 2 . . . . A 18 GLN HE22 . 31199 1 105 . 1 . 1 18 18 GLN C C 13 175.8 0.2 . 1 . . . . A 18 GLN C . 31199 1 106 . 1 . 1 18 18 GLN CA C 13 52.0 0.2 . 1 . . . . A 18 GLN CA . 31199 1 107 . 1 . 1 18 18 GLN CB C 13 28.3 0.2 . 1 . . . . A 18 GLN CB . 31199 1 108 . 1 . 1 18 18 GLN CG C 13 32.0 0.2 . 1 . . . . A 18 GLN CG . 31199 1 109 . 1 . 1 18 18 GLN N N 15 119.8 0.2 . 1 . . . . A 18 GLN N . 31199 1 110 . 1 . 1 18 18 GLN NE2 N 15 113.2 0.2 . 1 . . . . A 18 GLN NE2 . 31199 1 111 . 1 . 1 19 19 GLY H H 1 8.87 0.02 . 1 . . . . A 19 GLY H . 31199 1 112 . 1 . 1 19 19 GLY HA2 H 1 3.34 0.02 . 2 . . . . A 19 GLY HA2 . 31199 1 113 . 1 . 1 19 19 GLY HA3 H 1 3.34 0.02 . 2 . . . . A 19 GLY HA3 . 31199 1 114 . 1 . 1 19 19 GLY C C 13 170.9 0.2 . 1 . . . . A 19 GLY C . 31199 1 115 . 1 . 1 19 19 GLY CA C 13 42.8 0.2 . 1 . . . . A 19 GLY CA . 31199 1 116 . 1 . 1 19 19 GLY N N 15 106.1 0.2 . 1 . . . . A 19 GLY N . 31199 1 117 . 1 . 1 20 20 GLU H H 1 8.68 0.02 . 1 . . . . A 20 GLU H . 31199 1 118 . 1 . 1 20 20 GLU HA H 1 5.28 0.02 . 1 . . . . A 20 GLU HA . 31199 1 119 . 1 . 1 20 20 GLU HB2 H 1 1.87 0.02 . 2 . . . . A 20 GLU HB2 . 31199 1 120 . 1 . 1 20 20 GLU HB3 H 1 1.84 0.02 . 2 . . . . A 20 GLU HB3 . 31199 1 121 . 1 . 1 20 20 GLU HG2 H 1 2.02 0.02 . 2 . . . . A 20 GLU HG2 . 31199 1 122 . 1 . 1 20 20 GLU HG3 H 1 2.02 0.02 . 2 . . . . A 20 GLU HG3 . 31199 1 123 . 1 . 1 20 20 GLU C C 13 175.6 0.2 . 1 . . . . A 20 GLU C . 31199 1 124 . 1 . 1 20 20 GLU CA C 13 50.8 0.2 . 1 . . . . A 20 GLU CA . 31199 1 125 . 1 . 1 20 20 GLU CB C 13 31.2 0.2 . 1 . . . . A 20 GLU CB . 31199 1 126 . 1 . 1 20 20 GLU CG C 13 33.4 0.2 . 1 . . . . A 20 GLU CG . 31199 1 127 . 1 . 1 20 20 GLU N N 15 120.2 0.2 . 1 . . . . A 20 GLU N . 31199 1 128 . 1 . 1 21 21 ILE H H 1 8.96 0.02 . 1 . . . . A 21 ILE H . 31199 1 129 . 1 . 1 21 21 ILE HA H 1 4.46 0.02 . 1 . . . . A 21 ILE HA . 31199 1 130 . 1 . 1 21 21 ILE HB H 1 2.38 0.02 . 1 . . . . A 21 ILE HB . 31199 1 131 . 1 . 1 21 21 ILE HG12 H 1 1.53 0.02 . 2 . . . . A 21 ILE HG12 . 31199 1 132 . 1 . 1 21 21 ILE HG13 H 1 1.08 0.02 . 2 . . . . A 21 ILE HG13 . 31199 1 133 . 1 . 1 21 21 ILE HG21 H 1 0.72 0.02 . 1 . . . . A 21 ILE HG21 . 31199 1 134 . 1 . 1 21 21 ILE HG22 H 1 0.72 0.02 . 1 . . . . A 21 ILE HG22 . 31199 1 135 . 1 . 1 21 21 ILE HG23 H 1 0.72 0.02 . 1 . . . . A 21 ILE HG23 . 31199 1 136 . 1 . 1 21 21 ILE HD11 H 1 0.29 0.02 . 1 . . . . A 21 ILE HD11 . 31199 1 137 . 1 . 1 21 21 ILE HD12 H 1 0.29 0.02 . 1 . . . . A 21 ILE HD12 . 31199 1 138 . 1 . 1 21 21 ILE HD13 H 1 0.29 0.02 . 1 . . . . A 21 ILE HD13 . 31199 1 139 . 1 . 1 21 21 ILE C C 13 176.5 0.2 . 1 . . . . A 21 ILE C . 31199 1 140 . 1 . 1 21 21 ILE CA C 13 56.9 0.2 . 1 . . . . A 21 ILE CA . 31199 1 141 . 1 . 1 21 21 ILE CB C 13 32.4 0.2 . 1 . . . . A 21 ILE CB . 31199 1 142 . 1 . 1 21 21 ILE CG1 C 13 22.4 0.2 . 1 . . . . A 21 ILE CG1 . 31199 1 143 . 1 . 1 21 21 ILE CG2 C 13 14.9 0.2 . 1 . . . . A 21 ILE CG2 . 31199 1 144 . 1 . 1 21 21 ILE CD1 C 13 7.2 0.2 . 1 . . . . A 21 ILE CD1 . 31199 1 145 . 1 . 1 21 21 ILE N N 15 124.1 0.02 . 1 . . . . A 21 ILE N . 31199 1 146 . 1 . 1 22 22 LEU H H 1 9.60 0.02 . 1 . . . . A 22 LEU H . 31199 1 147 . 1 . 1 22 22 LEU HA H 1 4.66 0.02 . 1 . . . . A 22 LEU HA . 31199 1 148 . 1 . 1 22 22 LEU HB2 H 1 1.74 0.02 . 2 . . . . A 22 LEU HB2 . 31199 1 149 . 1 . 1 22 22 LEU HB3 H 1 1.60 0.02 . 2 . . . . A 22 LEU HB3 . 31199 1 150 . 1 . 1 22 22 LEU HG H 1 0.95 0.02 . 1 . . . . A 22 LEU HG . 31199 1 151 . 1 . 1 22 22 LEU CA C 13 53.2 0.2 . 1 . . . . A 22 LEU CA . 31199 1 152 . 1 . 1 22 22 LEU CB C 13 41.1 0.2 . 1 . . . . A 22 LEU CB . 31199 1 153 . 1 . 1 22 22 LEU CG C 13 23.5 0.2 . 1 . . . . A 22 LEU CG . 31199 1 154 . 1 . 1 22 22 LEU N N 15 129.1 0.2 . 1 . . . . A 22 LEU N . 31199 1 155 . 1 . 1 23 23 GLU H H 1 7.40 0.02 . 1 . . . . A 23 GLU H . 31199 1 156 . 1 . 1 23 23 GLU HA H 1 4.72 0.02 . 1 . . . . A 23 GLU HA . 31199 1 157 . 1 . 1 23 23 GLU HB2 H 1 1.98 0.02 . 2 . . . . A 23 GLU HB2 . 31199 1 158 . 1 . 1 23 23 GLU HB3 H 1 1.91 0.02 . 2 . . . . A 23 GLU HB3 . 31199 1 159 . 1 . 1 23 23 GLU HG2 H 1 2.24 0.02 . 2 . . . . A 23 GLU HG2 . 31199 1 160 . 1 . 1 23 23 GLU HG3 H 1 2.24 0.02 . 2 . . . . A 23 GLU HG3 . 31199 1 161 . 1 . 1 23 23 GLU C C 13 174.6 0.2 . 1 . . . . A 23 GLU C . 31199 1 162 . 1 . 1 23 23 GLU CA C 13 52.7 0.2 . 1 . . . . A 23 GLU CA . 31199 1 163 . 1 . 1 23 23 GLU CB C 13 32.5 0.2 . 1 . . . . A 23 GLU CB . 31199 1 164 . 1 . 1 23 23 GLU CG C 13 33.3 0.2 . 1 . . . . A 23 GLU CG . 31199 1 165 . 1 . 1 23 23 GLU N N 15 114.5 0.2 . 1 . . . . A 23 GLU N . 31199 1 166 . 1 . 1 24 24 THR H H 1 9.14 0.02 . 1 . . . . A 24 THR H . 31199 1 167 . 1 . 1 24 24 THR HA H 1 4.39 0.02 . 1 . . . . A 24 THR HA . 31199 1 168 . 1 . 1 24 24 THR HB H 1 4.24 0.02 . 1 . . . . A 24 THR HB . 31199 1 169 . 1 . 1 24 24 THR HG21 H 1 1.28 0.02 . 1 . . . . A 24 THR HG21 . 31199 1 170 . 1 . 1 24 24 THR HG22 H 1 1.28 0.02 . 1 . . . . A 24 THR HG22 . 31199 1 171 . 1 . 1 24 24 THR HG23 H 1 1.28 0.02 . 1 . . . . A 24 THR HG23 . 31199 1 172 . 1 . 1 24 24 THR C C 13 172.9 0.2 . 1 . . . . A 24 THR C . 31199 1 173 . 1 . 1 24 24 THR CA C 13 58.8 0.2 . 1 . . . . A 24 THR CA . 31199 1 174 . 1 . 1 24 24 THR CB C 13 66.3 0.2 . 1 . . . . A 24 THR CB . 31199 1 175 . 1 . 1 24 24 THR CG2 C 13 19.2 0.2 . 1 . . . . A 24 THR CG2 . 31199 1 176 . 1 . 1 24 24 THR N N 15 120.3 0.2 . 1 . . . . A 24 THR N . 31199 1 177 . 1 . 1 25 25 LEU H H 1 8.13 0.02 . 1 . . . . A 25 LEU H . 31199 1 178 . 1 . 1 25 25 LEU CA C 13 50.4 0.2 . 1 . . . . A 25 LEU CA . 31199 1 179 . 1 . 1 25 25 LEU CB C 13 42.9 0.2 . 1 . . . . A 25 LEU CB . 31199 1 180 . 1 . 1 25 25 LEU N N 15 127.9 0.2 . 1 . . . . A 25 LEU N . 31199 1 181 . 1 . 1 26 26 PRO HA H 1 4.39 0.02 . 1 . . . . A 26 PRO HA . 31199 1 182 . 1 . 1 26 26 PRO HB2 H 1 2.35 0.02 . 2 . . . . A 26 PRO HB2 . 31199 1 183 . 1 . 1 26 26 PRO HB3 H 1 1.78 0.02 . 2 . . . . A 26 PRO HB3 . 31199 1 184 . 1 . 1 26 26 PRO HG2 H 1 2.03 0.02 . 2 . . . . A 26 PRO HG2 . 31199 1 185 . 1 . 1 26 26 PRO HG3 H 1 1.94 0.02 . 2 . . . . A 26 PRO HG3 . 31199 1 186 . 1 . 1 26 26 PRO HD2 H 1 3.76 0.02 . 2 . . . . A 26 PRO HD2 . 31199 1 187 . 1 . 1 26 26 PRO HD3 H 1 3.51 0.02 . 2 . . . . A 26 PRO HD3 . 31199 1 188 . 1 . 1 26 26 PRO CA C 13 60.6 0.2 . 1 . . . . A 26 PRO CA . 31199 1 189 . 1 . 1 26 26 PRO CB C 13 29.5 0.2 . 1 . . . . A 26 PRO CB . 31199 1 190 . 1 . 1 26 26 PRO CG C 13 25.0 0.2 . 1 . . . . A 26 PRO CG . 31199 1 191 . 1 . 1 26 26 PRO CD C 13 48.2 0.2 . 1 . . . . A 26 PRO CD . 31199 1 192 . 1 . 1 27 27 ASN HA H 1 4.36 0.02 . 1 . . . . A 27 ASN HA . 31199 1 193 . 1 . 1 27 27 ASN HB2 H 1 2.89 0.02 . 2 . . . . A 27 ASN HB2 . 31199 1 194 . 1 . 1 27 27 ASN HB3 H 1 2.89 0.02 . 2 . . . . A 27 ASN HB3 . 31199 1 195 . 1 . 1 27 27 ASN HD21 H 1 8.00 0.02 . 2 . . . . A 27 ASN HD21 . 31199 1 196 . 1 . 1 27 27 ASN HD22 H 1 6.97 0.02 . 2 . . . . A 27 ASN HD22 . 31199 1 197 . 1 . 1 27 27 ASN C C 13 174.7 0.2 . 1 . . . . A 27 ASN C . 31199 1 198 . 1 . 1 27 27 ASN CA C 13 50.9 0.2 . 1 . . . . A 27 ASN CA . 31199 1 199 . 1 . 1 27 27 ASN CB C 13 34.1 0.2 . 1 . . . . A 27 ASN CB . 31199 1 200 . 1 . 1 27 27 ASN ND2 N 15 113.3 0.2 . 1 . . . . A 27 ASN ND2 . 31199 1 201 . 1 . 1 28 28 ALA H H 1 8.58 0.02 . 1 . . . . A 28 ALA H . 31199 1 202 . 1 . 1 28 28 ALA HA H 1 3.86 0.02 . 1 . . . . A 28 ALA HA . 31199 1 203 . 1 . 1 28 28 ALA HB1 H 1 1.43 0.02 . 1 . . . . A 28 ALA HB1 . 31199 1 204 . 1 . 1 28 28 ALA HB2 H 1 1.43 0.02 . 1 . . . . A 28 ALA HB2 . 31199 1 205 . 1 . 1 28 28 ALA HB3 H 1 1.43 0.02 . 1 . . . . A 28 ALA HB3 . 31199 1 206 . 1 . 1 28 28 ALA C C 13 175.1 0.2 . 1 . . . . A 28 ALA C . 31199 1 207 . 1 . 1 28 28 ALA CA C 13 50.3 0.2 . 1 . . . . A 28 ALA CA . 31199 1 208 . 1 . 1 28 28 ALA CB C 13 13.9 0.2 . 1 . . . . A 28 ALA CB . 31199 1 209 . 1 . 1 28 28 ALA N N 15 118.5 0.2 . 1 . . . . A 28 ALA N . 31199 1 210 . 1 . 1 29 29 THR H H 1 6.43 0.02 . 1 . . . . A 29 THR H . 31199 1 211 . 1 . 1 29 29 THR HA H 1 5.06 0.02 . 1 . . . . A 29 THR HA . 31199 1 212 . 1 . 1 29 29 THR HB H 1 3.94 0.02 . 1 . . . . A 29 THR HB . 31199 1 213 . 1 . 1 29 29 THR HG21 H 1 1.13 0.02 . 1 . . . . A 29 THR HG21 . 31199 1 214 . 1 . 1 29 29 THR HG22 H 1 1.13 0.02 . 1 . . . . A 29 THR HG22 . 31199 1 215 . 1 . 1 29 29 THR HG23 H 1 1.13 0.02 . 1 . . . . A 29 THR HG23 . 31199 1 216 . 1 . 1 29 29 THR C C 13 172.6 0.2 . 1 . . . . A 29 THR C . 31199 1 217 . 1 . 1 29 29 THR CA C 13 57.9 0.2 . 1 . . . . A 29 THR CA . 31199 1 218 . 1 . 1 29 29 THR CB C 13 69.0 0.2 . 1 . . . . A 29 THR CB . 31199 1 219 . 1 . 1 29 29 THR CG2 C 13 18.9 0.2 . 1 . . . . A 29 THR CG2 . 31199 1 220 . 1 . 1 29 29 THR N N 15 107.8 0.2 . 1 . . . . A 29 THR N . 31199 1 221 . 1 . 1 30 30 PHE H H 1 8.87 0.02 . 1 . . . . A 30 PHE H . 31199 1 222 . 1 . 1 30 30 PHE HA H 1 5.16 0.02 . 1 . . . . A 30 PHE HA . 31199 1 223 . 1 . 1 30 30 PHE HB2 H 1 3.01 0.02 . 2 . . . . A 30 PHE HB2 . 31199 1 224 . 1 . 1 30 30 PHE HB3 H 1 2.29 0.02 . 2 . . . . A 30 PHE HB3 . 31199 1 225 . 1 . 1 30 30 PHE HD1 H 1 7.01 0.02 . 3 . . . . A 30 PHE HD1 . 31199 1 226 . 1 . 1 30 30 PHE HD2 H 1 7.01 0.02 . 3 . . . . A 30 PHE HD2 . 31199 1 227 . 1 . 1 30 30 PHE CA C 13 53.9 0.2 0.2 1 . . . . A 30 PHE CA . 31199 1 228 . 1 . 1 30 30 PHE CB C 13 40.9 0.2 0.2 1 . . . . A 30 PHE CB . 31199 1 229 . 1 . 1 30 30 PHE N N 15 117.5 0.2 . 1 . . . . A 30 PHE N . 31199 1 230 . 1 . 1 31 31 LYS H H 1 8.70 0.02 . 1 . . . . A 31 LYS H . 31199 1 231 . 1 . 1 31 31 LYS HA H 1 4.96 0.02 . 1 . . . . A 31 LYS HA . 31199 1 232 . 1 . 1 31 31 LYS HB2 H 1 1.76 0.02 . 2 . . . . A 31 LYS HB2 . 31199 1 233 . 1 . 1 31 31 LYS HB3 H 1 1.76 0.02 . 2 . . . . A 31 LYS HB3 . 31199 1 234 . 1 . 1 31 31 LYS HG2 H 1 1.45 0.02 . 2 . . . . A 31 LYS HG2 . 31199 1 235 . 1 . 1 31 31 LYS HG3 H 1 1.32 0.02 . 2 . . . . A 31 LYS HG3 . 31199 1 236 . 1 . 1 31 31 LYS C C 13 175.5 0.2 . 1 . . . . A 31 LYS C . 31199 1 237 . 1 . 1 31 31 LYS CA C 13 53.6 0.2 . 1 . . . . A 31 LYS CA . 31199 1 238 . 1 . 1 31 31 LYS CB C 13 31.6 0.2 . 1 . . . . A 31 LYS CB . 31199 1 239 . 1 . 1 31 31 LYS CG C 13 22.9 0.2 . 1 . . . . A 31 LYS CG . 31199 1 240 . 1 . 1 31 31 LYS N N 15 122.8 0.02 . 1 . . . . A 31 LYS N . 31199 1 241 . 1 . 1 32 32 VAL H H 1 9.49 0.02 . 1 . . . . A 32 VAL H . 31199 1 242 . 1 . 1 32 32 VAL HA H 1 4.64 0.02 . 1 . . . . A 32 VAL HA . 31199 1 243 . 1 . 1 32 32 VAL HB H 1 1.92 0.02 . 1 . . . . A 32 VAL HB . 31199 1 244 . 1 . 1 32 32 VAL HG11 H 1 0.50 0.02 . 1 . . . . A 32 VAL HG11 . 31199 1 245 . 1 . 1 32 32 VAL HG12 H 1 0.50 0.02 . 1 . . . . A 32 VAL HG12 . 31199 1 246 . 1 . 1 32 32 VAL HG13 H 1 0.50 0.02 . 1 . . . . A 32 VAL HG13 . 31199 1 247 . 1 . 1 32 32 VAL HG21 H 1 0.68 0.02 . 1 . . . . A 32 VAL HG21 . 31199 1 248 . 1 . 1 32 32 VAL HG22 H 1 0.68 0.02 . 1 . . . . A 32 VAL HG22 . 31199 1 249 . 1 . 1 32 32 VAL HG23 H 1 0.68 0.02 . 1 . . . . A 32 VAL HG23 . 31199 1 250 . 1 . 1 32 32 VAL C C 13 173.3 0.2 . 1 . . . . A 32 VAL C . 31199 1 251 . 1 . 1 32 32 VAL CA C 13 58.1 0.2 . 1 . . . . A 32 VAL CA . 31199 1 252 . 1 . 1 32 32 VAL CB C 13 31.7 0.2 . 1 . . . . A 32 VAL CB . 31199 1 253 . 1 . 1 32 32 VAL CG1 C 13 18.7 0.2 . 1 . . . . A 32 VAL CG1 . 31199 1 254 . 1 . 1 32 32 VAL CG2 C 13 18.1 0.2 . 1 . . . . A 32 VAL CG2 . 31199 1 255 . 1 . 1 32 32 VAL N N 15 128.0 0.2 . 1 . . . . A 32 VAL N . 31199 1 256 . 1 . 1 33 33 LYS H H 1 9.16 0.02 . 1 . . . . A 33 LYS H . 31199 1 257 . 1 . 1 33 33 LYS C C 13 176.4 0.2 . 1 . . . . A 33 LYS C . 31199 1 258 . 1 . 1 33 33 LYS CA C 13 52.3 0.2 . 1 . . . . A 33 LYS CA . 31199 1 259 . 1 . 1 33 33 LYS CB C 13 31.0 0.2 . 1 . . . . A 33 LYS CB . 31199 1 260 . 1 . 1 33 33 LYS CG C 13 21.8 0.2 . 1 . . . . A 33 LYS CG . 31199 1 261 . 1 . 1 33 33 LYS CD C 13 26.8 0.2 . 1 . . . . A 33 LYS CD . 31199 1 262 . 1 . 1 33 33 LYS N N 15 127.3 0.2 . 1 . . . . A 33 LYS N . 31199 1 263 . 1 . 1 34 34 LEU H H 1 9.40 0.02 . 1 . . . . A 34 LEU H . 31199 1 264 . 1 . 1 34 34 LEU HB2 H 1 1.80 0.02 . 2 . . . . A 34 LEU HB2 . 31199 1 265 . 1 . 1 34 34 LEU HB3 H 1 1.57 0.02 . 2 . . . . A 34 LEU HB3 . 31199 1 266 . 1 . 1 34 34 LEU HG H 1 1.74 0.02 . 1 . . . . A 34 LEU HG . 31199 1 267 . 1 . 1 34 34 LEU HD11 H 1 0.59 0.02 . 2 . . . . A 34 LEU HD11 . 31199 1 268 . 1 . 1 34 34 LEU HD12 H 1 0.59 0.02 . 2 . . . . A 34 LEU HD12 . 31199 1 269 . 1 . 1 34 34 LEU HD13 H 1 0.59 0.02 . 2 . . . . A 34 LEU HD13 . 31199 1 270 . 1 . 1 34 34 LEU HD21 H 1 0.59 0.02 . 2 . . . . A 34 LEU HD21 . 31199 1 271 . 1 . 1 34 34 LEU HD22 H 1 0.59 0.02 . 2 . . . . A 34 LEU HD22 . 31199 1 272 . 1 . 1 34 34 LEU HD23 H 1 0.59 0.02 . 2 . . . . A 34 LEU HD23 . 31199 1 273 . 1 . 1 34 34 LEU CA C 13 52.0 0.2 . 1 . . . . A 34 LEU CA . 31199 1 274 . 1 . 1 34 34 LEU CB C 13 40.0 0.2 . 1 . . . . A 34 LEU CB . 31199 1 275 . 1 . 1 34 34 LEU CG C 13 23.5 0.2 . 1 . . . . A 34 LEU CG . 31199 1 276 . 1 . 1 34 34 LEU CD1 C 13 20.7 0.2 . 2 . . . . A 34 LEU CD1 . 31199 1 277 . 1 . 1 34 34 LEU CD2 C 13 20.7 0.2 . 2 . . . . A 34 LEU CD2 . 31199 1 278 . 1 . 1 34 34 LEU N N 15 129.0 0.2 . 1 . . . . A 34 LEU N . 31199 1 279 . 1 . 1 35 35 GLU H H 1 8.31 0.02 . 1 . . . . A 35 GLU H . 31199 1 280 . 1 . 1 35 35 GLU HA H 1 4.27 0.02 . 1 . . . . A 35 GLU HA . 31199 1 281 . 1 . 1 35 35 GLU HB2 H 1 2.20 0.02 . 2 . . . . A 35 GLU HB2 . 31199 1 282 . 1 . 1 35 35 GLU HB3 H 1 2.13 0.02 . 2 . . . . A 35 GLU HB3 . 31199 1 283 . 1 . 1 35 35 GLU HG2 H 1 2.43 0.02 . 2 . . . . A 35 GLU HG2 . 31199 1 284 . 1 . 1 35 35 GLU HG3 H 1 2.29 0.02 . 2 . . . . A 35 GLU HG3 . 31199 1 285 . 1 . 1 35 35 GLU C C 13 175.2 0.2 . 1 . . . . A 35 GLU C . 31199 1 286 . 1 . 1 35 35 GLU CA C 13 55.5 0.2 . 1 . . . . A 35 GLU CA . 31199 1 287 . 1 . 1 35 35 GLU CB C 13 27.1 0.2 . 1 . . . . A 35 GLU CB . 31199 1 288 . 1 . 1 35 35 GLU CG C 13 33.6 0.2 . 1 . . . . A 35 GLU CG . 31199 1 289 . 1 . 1 35 35 GLU N N 15 118.4 0.2 . 1 . . . . A 35 GLU N . 31199 1 290 . 1 . 1 36 36 ASN H H 1 7.20 0.02 . 1 . . . . A 36 ASN H . 31199 1 291 . 1 . 1 36 36 ASN HA H 1 4.69 0.02 . 1 . . . . A 36 ASN HA . 31199 1 292 . 1 . 1 36 36 ASN HB2 H 1 3.25 0.02 . 2 . . . . A 36 ASN HB2 . 31199 1 293 . 1 . 1 36 36 ASN HB3 H 1 2.68 0.02 . 2 . . . . A 36 ASN HB3 . 31199 1 294 . 1 . 1 36 36 ASN HD21 H 1 7.50 0.02 . 2 . . . . A 36 ASN HD21 . 31199 1 295 . 1 . 1 36 36 ASN HD22 H 1 6.27 0.02 . 2 . . . . A 36 ASN HD22 . 31199 1 296 . 1 . 1 36 36 ASN C C 13 175.3 0.2 . 1 . . . . A 36 ASN C . 31199 1 297 . 1 . 1 36 36 ASN CA C 13 49.5 0.2 . 1 . . . . A 36 ASN CA . 31199 1 298 . 1 . 1 36 36 ASN CB C 13 34.7 0.2 . 1 . . . . A 36 ASN CB . 31199 1 299 . 1 . 1 36 36 ASN N N 15 115.9 0.2 . 1 . . . . A 36 ASN N . 31199 1 300 . 1 . 1 36 36 ASN ND2 N 15 107.2 0.2 . 1 . . . . A 36 ASN ND2 . 31199 1 301 . 1 . 1 37 37 ASP H H 1 8.34 0.02 . 1 . . . . A 37 ASP H . 31199 1 302 . 1 . 1 37 37 ASP HA H 1 4.21 0.02 . 1 . . . . A 37 ASP HA . 31199 1 303 . 1 . 1 37 37 ASP HB2 H 1 3.14 0.02 . 2 . . . . A 37 ASP HB2 . 31199 1 304 . 1 . 1 37 37 ASP HB3 H 1 2.89 0.02 . 2 . . . . A 37 ASP HB3 . 31199 1 305 . 1 . 1 37 37 ASP CA C 13 54.3 0.2 . 1 . . . . A 37 ASP CA . 31199 1 306 . 1 . 1 37 37 ASP CB C 13 36.3 0.2 . 1 . . . . A 37 ASP CB . 31199 1 307 . 1 . 1 37 37 ASP N N 15 112.5 0.2 . 1 . . . . A 37 ASP N . 31199 1 308 . 1 . 1 38 38 HIS H H 1 7.82 0.02 . 1 . . . . A 38 HIS H . 31199 1 309 . 1 . 1 38 38 HIS HA H 1 4.64 0.02 . 1 . . . . A 38 HIS HA . 31199 1 310 . 1 . 1 38 38 HIS HB2 H 1 3.17 0.02 . 2 . . . . A 38 HIS HB2 . 31199 1 311 . 1 . 1 38 38 HIS HB3 H 1 3.02 0.02 . 2 . . . . A 38 HIS HB3 . 31199 1 312 . 1 . 1 38 38 HIS C C 13 173.7 0.2 . 1 . . . . A 38 HIS C . 31199 1 313 . 1 . 1 38 38 HIS CA C 13 53.4 0.2 . 1 . . . . A 38 HIS CA . 31199 1 314 . 1 . 1 38 38 HIS CB C 13 27.8 0.2 . 1 . . . . A 38 HIS CB . 31199 1 315 . 1 . 1 38 38 HIS N N 15 119.1 0.02 . 1 . . . . A 38 HIS N . 31199 1 316 . 1 . 1 39 39 ILE H H 1 8.39 0.02 . 1 . . . . A 39 ILE H . 31199 1 317 . 1 . 1 39 39 ILE HA H 1 5.13 0.02 . 1 . . . . A 39 ILE HA . 31199 1 318 . 1 . 1 39 39 ILE HB H 1 1.77 0.02 . 1 . . . . A 39 ILE HB . 31199 1 319 . 1 . 1 39 39 ILE HG12 H 1 1.66 0.02 . 2 . . . . A 39 ILE HG12 . 31199 1 320 . 1 . 1 39 39 ILE HG13 H 1 1.04 0.02 . 2 . . . . A 39 ILE HG13 . 31199 1 321 . 1 . 1 39 39 ILE HG21 H 1 0.80 0.02 . 1 . . . . A 39 ILE HG21 . 31199 1 322 . 1 . 1 39 39 ILE HG22 H 1 0.80 0.02 . 1 . . . . A 39 ILE HG22 . 31199 1 323 . 1 . 1 39 39 ILE HG23 H 1 0.80 0.02 . 1 . . . . A 39 ILE HG23 . 31199 1 324 . 1 . 1 39 39 ILE HD11 H 1 0.85 0.02 . 1 . . . . A 39 ILE HD11 . 31199 1 325 . 1 . 1 39 39 ILE HD12 H 1 0.85 0.02 . 1 . . . . A 39 ILE HD12 . 31199 1 326 . 1 . 1 39 39 ILE HD13 H 1 0.85 0.02 . 1 . . . . A 39 ILE HD13 . 31199 1 327 . 1 . 1 39 39 ILE C C 13 176.3 0.2 . 1 . . . . A 39 ILE C . 31199 1 328 . 1 . 1 39 39 ILE CA C 13 57.1 0.2 . 1 . . . . A 39 ILE CA . 31199 1 329 . 1 . 1 39 39 ILE CB C 13 35.6 0.2 . 1 . . . . A 39 ILE CB . 31199 1 330 . 1 . 1 39 39 ILE CG1 C 13 25.2 0.2 . 1 . . . . A 39 ILE CG1 . 31199 1 331 . 1 . 1 39 39 ILE CG2 C 13 15.0 0.2 . 1 . . . . A 39 ILE CG2 . 31199 1 332 . 1 . 1 39 39 ILE CD1 C 13 9.8 0.2 . 1 . . . . A 39 ILE CD1 . 31199 1 333 . 1 . 1 39 39 ILE N N 15 123.6 0.2 . 1 . . . . A 39 ILE N . 31199 1 334 . 1 . 1 40 40 VAL H H 1 9.00 0.02 . 1 . . . . A 40 VAL H . 31199 1 335 . 1 . 1 40 40 VAL HA H 1 4.80 0.02 . 1 . . . . A 40 VAL HA . 31199 1 336 . 1 . 1 40 40 VAL HB H 1 1.93 0.02 . 1 . . . . A 40 VAL HB . 31199 1 337 . 1 . 1 40 40 VAL HG11 H 1 0.63 0.02 . 1 . . . . A 40 VAL HG11 . 31199 1 338 . 1 . 1 40 40 VAL HG12 H 1 0.63 0.02 . 1 . . . . A 40 VAL HG12 . 31199 1 339 . 1 . 1 40 40 VAL HG13 H 1 0.63 0.02 . 1 . . . . A 40 VAL HG13 . 31199 1 340 . 1 . 1 40 40 VAL HG21 H 1 0.82 0.02 . 1 . . . . A 40 VAL HG21 . 31199 1 341 . 1 . 1 40 40 VAL HG22 H 1 0.82 0.02 . 1 . . . . A 40 VAL HG22 . 31199 1 342 . 1 . 1 40 40 VAL HG23 H 1 0.82 0.02 . 1 . . . . A 40 VAL HG23 . 31199 1 343 . 1 . 1 40 40 VAL C C 13 173.6 0.2 . 1 . . . . A 40 VAL C . 31199 1 344 . 1 . 1 40 40 VAL CA C 13 55.6 0.2 . 1 . . . . A 40 VAL CA . 31199 1 345 . 1 . 1 40 40 VAL CB C 13 32.9 0.2 . 1 . . . . A 40 VAL CB . 31199 1 346 . 1 . 1 40 40 VAL CG1 C 13 16.1 0.2 . 1 . . . . A 40 VAL CG1 . 31199 1 347 . 1 . 1 40 40 VAL CG2 C 13 19.3 0.2 . 1 . . . . A 40 VAL CG2 . 31199 1 348 . 1 . 1 40 40 VAL N N 15 119.7 0.2 . 1 . . . . A 40 VAL N . 31199 1 349 . 1 . 1 41 41 LEU H H 1 8.10 0.02 . 1 . . . . A 41 LEU H . 31199 1 350 . 1 . 1 41 41 LEU HA H 1 5.24 0.02 . 1 . . . . A 41 LEU HA . 31199 1 351 . 1 . 1 41 41 LEU HB2 H 1 1.79 0.02 . 2 . . . . A 41 LEU HB2 . 31199 1 352 . 1 . 1 41 41 LEU HB3 H 1 1.58 0.02 . 2 . . . . A 41 LEU HB3 . 31199 1 353 . 1 . 1 41 41 LEU CA C 13 51.0 0.2 . 1 . . . . A 41 LEU CA . 31199 1 354 . 1 . 1 41 41 LEU N N 15 122.3 0.2 . 1 . . . . A 41 LEU N . 31199 1 355 . 1 . 1 42 42 GLY H H 1 9.78 0.02 . 1 . . . . A 42 GLY H . 31199 1 356 . 1 . 1 42 42 GLY HA2 H 1 5.50 0.02 . 2 . . . . A 42 GLY HA2 . 31199 1 357 . 1 . 1 42 42 GLY HA3 H 1 3.08 0.02 . 2 . . . . A 42 GLY HA3 . 31199 1 358 . 1 . 1 42 42 GLY C C 13 171.6 0.2 . 1 . . . . A 42 GLY C . 31199 1 359 . 1 . 1 42 42 GLY CA C 13 41.0 0.2 . 1 . . . . A 42 GLY CA . 31199 1 360 . 1 . 1 42 42 GLY N N 15 111.5 0.2 . 1 . . . . A 42 GLY N . 31199 1 361 . 1 . 1 43 43 HIS H H 1 8.23 0.02 . 1 . . . . A 43 HIS H . 31199 1 362 . 1 . 1 43 43 HIS HA H 1 5.50 0.02 . 1 . . . . A 43 HIS HA . 31199 1 363 . 1 . 1 43 43 HIS HB2 H 1 3.27 0.02 . 2 . . . . A 43 HIS HB2 . 31199 1 364 . 1 . 1 43 43 HIS HB3 H 1 3.27 0.02 . 2 . . . . A 43 HIS HB3 . 31199 1 365 . 1 . 1 43 43 HIS C C 13 173.9 0.2 . 1 . . . . A 43 HIS C . 31199 1 366 . 1 . 1 43 43 HIS CA C 13 52.0 0.2 . 1 . . . . A 43 HIS CA . 31199 1 367 . 1 . 1 43 43 HIS CB C 13 30.6 0.2 . 1 . . . . A 43 HIS CB . 31199 1 368 . 1 . 1 43 43 HIS N N 15 118.3 0.2 . 1 . . . . A 43 HIS N . 31199 1 369 . 1 . 1 44 44 ILE H H 1 9.07 0.02 . 1 . . . . A 44 ILE H . 31199 1 370 . 1 . 1 44 44 ILE HA H 1 4.53 0.02 . 1 . . . . A 44 ILE HA . 31199 1 371 . 1 . 1 44 44 ILE HB H 1 1.91 0.02 . 1 . . . . A 44 ILE HB . 31199 1 372 . 1 . 1 44 44 ILE HG12 H 1 1.70 0.02 . 2 . . . . A 44 ILE HG12 . 31199 1 373 . 1 . 1 44 44 ILE HG13 H 1 1.24 0.02 . 2 . . . . A 44 ILE HG13 . 31199 1 374 . 1 . 1 44 44 ILE HG21 H 1 1.01 0.02 . 1 . . . . A 44 ILE HG21 . 31199 1 375 . 1 . 1 44 44 ILE HG22 H 1 1.01 0.02 . 1 . . . . A 44 ILE HG22 . 31199 1 376 . 1 . 1 44 44 ILE HG23 H 1 1.01 0.02 . 1 . . . . A 44 ILE HG23 . 31199 1 377 . 1 . 1 44 44 ILE HD11 H 1 0.86 0.02 . 1 . . . . A 44 ILE HD11 . 31199 1 378 . 1 . 1 44 44 ILE HD12 H 1 0.86 0.02 . 1 . . . . A 44 ILE HD12 . 31199 1 379 . 1 . 1 44 44 ILE HD13 H 1 0.86 0.02 . 1 . . . . A 44 ILE HD13 . 31199 1 380 . 1 . 1 44 44 ILE C C 13 175.2 0.2 . 1 . . . . A 44 ILE C . 31199 1 381 . 1 . 1 44 44 ILE CA C 13 58.3 0.2 . 1 . . . . A 44 ILE CA . 31199 1 382 . 1 . 1 44 44 ILE CB C 13 36.8 0.2 . 1 . . . . A 44 ILE CB . 31199 1 383 . 1 . 1 44 44 ILE CG1 C 13 25.1 0.2 . 1 . . . . A 44 ILE CG1 . 31199 1 384 . 1 . 1 44 44 ILE CG2 C 13 15.2 0.2 . 1 . . . . A 44 ILE CG2 . 31199 1 385 . 1 . 1 44 44 ILE CD1 C 13 11.0 0.2 . 1 . . . . A 44 ILE CD1 . 31199 1 386 . 1 . 1 44 44 ILE N N 15 121.1 0.2 . 1 . . . . A 44 ILE N . 31199 1 387 . 1 . 1 45 45 SER H H 1 8.67 0.02 . 1 . . . . A 45 SER H . 31199 1 388 . 1 . 1 45 45 SER HA H 1 4.64 0.02 . 1 . . . . A 45 SER HA . 31199 1 389 . 1 . 1 45 45 SER HB2 H 1 4.07 0.02 . 2 . . . . A 45 SER HB2 . 31199 1 390 . 1 . 1 45 45 SER HB3 H 1 3.90 0.02 . 2 . . . . A 45 SER HB3 . 31199 1 391 . 1 . 1 45 45 SER CA C 13 55.0 0.2 . 1 . . . . A 45 SER CA . 31199 1 392 . 1 . 1 45 45 SER CB C 13 62.3 0.2 . 1 . . . . A 45 SER CB . 31199 1 393 . 1 . 1 45 45 SER N N 15 121.2 0.2 . 1 . . . . A 45 SER N . 31199 1 394 . 1 . 1 46 46 GLY HA2 H 1 4.14 0.02 . 2 . . . . A 46 GLY HA2 . 31199 1 395 . 1 . 1 46 46 GLY HA3 H 1 3.92 0.02 . 2 . . . . A 46 GLY HA3 . 31199 1 396 . 1 . 1 46 46 GLY CA C 13 43.7 0.2 . 1 . . . . A 46 GLY CA . 31199 1 397 . 1 . 1 47 47 LYS HA H 1 4.21 0.02 . 1 . . . . A 47 LYS HA . 31199 1 398 . 1 . 1 47 47 LYS HB2 H 1 1.90 0.02 . 2 . . . . A 47 LYS HB2 . 31199 1 399 . 1 . 1 47 47 LYS HB3 H 1 1.90 0.02 . 2 . . . . A 47 LYS HB3 . 31199 1 400 . 1 . 1 47 47 LYS C C 13 177.8 0.2 . 1 . . . . A 47 LYS C . 31199 1 401 . 1 . 1 47 47 LYS CA C 13 55.5 0.2 . 1 . . . . A 47 LYS CA . 31199 1 402 . 1 . 1 47 47 LYS CB C 13 29.9 0.2 . 1 . . . . A 47 LYS CB . 31199 1 403 . 1 . 1 48 48 MET H H 1 8.05 0.02 . 1 . . . . A 48 MET H . 31199 1 404 . 1 . 1 48 48 MET C C 13 177.0 0.2 . 1 . . . . A 48 MET C . 31199 1 405 . 1 . 1 48 48 MET CE C 13 14.5 0.2 . 1 . . . . A 48 MET CE . 31199 1 406 . 1 . 1 48 48 MET N N 15 118.1 0.2 . 1 . . . . A 48 MET N . 31199 1 407 . 1 . 1 49 49 ARG H H 1 7.98 0.02 . 1 . . . . A 49 ARG H . 31199 1 408 . 1 . 1 49 49 ARG HA H 1 4.11 0.02 . 1 . . . . A 49 ARG HA . 31199 1 409 . 1 . 1 49 49 ARG HB2 H 1 1.94 0.02 . 2 . . . . A 49 ARG HB2 . 31199 1 410 . 1 . 1 49 49 ARG HB3 H 1 1.84 0.02 . 2 . . . . A 49 ARG HB3 . 31199 1 411 . 1 . 1 49 49 ARG HG2 H 1 1.70 0.02 . 2 . . . . A 49 ARG HG2 . 31199 1 412 . 1 . 1 49 49 ARG HG3 H 1 1.70 0.02 . 2 . . . . A 49 ARG HG3 . 31199 1 413 . 1 . 1 49 49 ARG HD2 H 1 3.27 0.02 . 2 . . . . A 49 ARG HD2 . 31199 1 414 . 1 . 1 49 49 ARG HD3 H 1 3.27 0.02 . 2 . . . . A 49 ARG HD3 . 31199 1 415 . 1 . 1 49 49 ARG C C 13 177.1 0.2 . 1 . . . . A 49 ARG C . 31199 1 416 . 1 . 1 49 49 ARG CA C 13 55.2 0.2 . 1 . . . . A 49 ARG CA . 31199 1 417 . 1 . 1 49 49 ARG CB C 13 27.5 0.2 . 1 . . . . A 49 ARG CB . 31199 1 418 . 1 . 1 49 49 ARG CG C 13 24.6 0.2 . 1 . . . . A 49 ARG CG . 31199 1 419 . 1 . 1 49 49 ARG CD C 13 40.7 0.2 . 1 . . . . A 49 ARG CD . 31199 1 420 . 1 . 1 49 49 ARG N N 15 119.9 0.2 . 1 . . . . A 49 ARG N . 31199 1 421 . 1 . 1 50 50 MET H H 1 7.98 0.02 . 1 . . . . A 50 MET H . 31199 1 422 . 1 . 1 50 50 MET HA H 1 4.32 0.02 . 1 . . . . A 50 MET HA . 31199 1 423 . 1 . 1 50 50 MET HB2 H 1 1.96 0.02 . 2 . . . . A 50 MET HB2 . 31199 1 424 . 1 . 1 50 50 MET HB3 H 1 1.96 0.02 . 2 . . . . A 50 MET HB3 . 31199 1 425 . 1 . 1 50 50 MET CA C 13 53.8 0.2 . 1 . . . . A 50 MET CA . 31199 1 426 . 1 . 1 50 50 MET CB C 13 27.4 0.2 . 1 . . . . A 50 MET CB . 31199 1 427 . 1 . 1 50 50 MET N N 15 117.0 0.2 . 1 . . . . A 50 MET N . 31199 1 428 . 1 . 1 51 51 HIS CA C 13 53.6 0.2 . 1 . . . . A 51 HIS CA . 31199 1 429 . 1 . 1 51 51 HIS CB C 13 27.9 0.2 . 1 . . . . A 51 HIS CB . 31199 1 430 . 1 . 1 52 52 TYR H H 1 7.85 0.02 . 1 . . . . A 52 TYR H . 31199 1 431 . 1 . 1 52 52 TYR HA H 1 4.45 0.02 . 1 . . . . A 52 TYR HA . 31199 1 432 . 1 . 1 52 52 TYR HB2 H 1 3.00 0.02 . 2 . . . . A 52 TYR HB2 . 31199 1 433 . 1 . 1 52 52 TYR HB3 H 1 3.00 0.02 . 2 . . . . A 52 TYR HB3 . 31199 1 434 . 1 . 1 52 52 TYR HD1 H 1 7.09 0.02 . 3 . . . . A 52 TYR HD1 . 31199 1 435 . 1 . 1 52 52 TYR HD2 H 1 7.09 0.02 . 3 . . . . A 52 TYR HD2 . 31199 1 436 . 1 . 1 52 52 TYR HE1 H 1 6.82 0.02 . 3 . . . . A 52 TYR HE1 . 31199 1 437 . 1 . 1 52 52 TYR HE2 H 1 6.82 0.02 . 3 . . . . A 52 TYR HE2 . 31199 1 438 . 1 . 1 52 52 TYR C C 13 175.1 0.2 . 1 . . . . A 52 TYR C . 31199 1 439 . 1 . 1 52 52 TYR CA C 13 55.8 0.2 . 1 . . . . A 52 TYR CA . 31199 1 440 . 1 . 1 52 52 TYR CB C 13 35.3 0.2 . 1 . . . . A 52 TYR CB . 31199 1 441 . 1 . 1 52 52 TYR CD1 C 13 130.4 0.2 . 3 . . . . A 52 TYR CD1 . 31199 1 442 . 1 . 1 52 52 TYR CD2 C 13 130.4 0.2 . 3 . . . . A 52 TYR CD2 . 31199 1 443 . 1 . 1 52 52 TYR CE1 C 13 115.5 0.2 . 3 . . . . A 52 TYR CE1 . 31199 1 444 . 1 . 1 52 52 TYR CE2 C 13 115.5 0.2 . 3 . . . . A 52 TYR CE2 . 31199 1 445 . 1 . 1 52 52 TYR N N 15 119.1 0.2 . 1 . . . . A 52 TYR N . 31199 1 446 . 1 . 1 53 53 ILE H H 1 7.61 0.02 . 1 . . . . A 53 ILE H . 31199 1 447 . 1 . 1 53 53 ILE HA H 1 3.99 0.02 . 1 . . . . A 53 ILE HA . 31199 1 448 . 1 . 1 53 53 ILE HB H 1 1.77 0.02 . 1 . . . . A 53 ILE HB . 31199 1 449 . 1 . 1 53 53 ILE HG12 H 1 1.39 0.02 . 2 . . . . A 53 ILE HG12 . 31199 1 450 . 1 . 1 53 53 ILE HG13 H 1 1.09 0.02 . 2 . . . . A 53 ILE HG13 . 31199 1 451 . 1 . 1 53 53 ILE HG21 H 1 0.79 0.02 . 1 . . . . A 53 ILE HG21 . 31199 1 452 . 1 . 1 53 53 ILE HG22 H 1 0.79 0.02 . 1 . . . . A 53 ILE HG22 . 31199 1 453 . 1 . 1 53 53 ILE HG23 H 1 0.79 0.02 . 1 . . . . A 53 ILE HG23 . 31199 1 454 . 1 . 1 53 53 ILE HD11 H 1 0.80 0.02 . 1 . . . . A 53 ILE HD11 . 31199 1 455 . 1 . 1 53 53 ILE HD12 H 1 0.80 0.02 . 1 . . . . A 53 ILE HD12 . 31199 1 456 . 1 . 1 53 53 ILE HD13 H 1 0.80 0.02 . 1 . . . . A 53 ILE HD13 . 31199 1 457 . 1 . 1 53 53 ILE C C 13 175.0 0.2 . 1 . . . . A 53 ILE C . 31199 1 458 . 1 . 1 53 53 ILE CA C 13 58.5 0.2 . 1 . . . . A 53 ILE CA . 31199 1 459 . 1 . 1 53 53 ILE CB C 13 35.8 0.2 . 1 . . . . A 53 ILE CB . 31199 1 460 . 1 . 1 53 53 ILE CG1 C 13 24.6 0.2 . 1 . . . . A 53 ILE CG1 . 31199 1 461 . 1 . 1 53 53 ILE CG2 C 13 14.6 0.2 . 1 . . . . A 53 ILE CG2 . 31199 1 462 . 1 . 1 53 53 ILE CD1 C 13 10.2 0.2 . 1 . . . . A 53 ILE CD1 . 31199 1 463 . 1 . 1 53 53 ILE N N 15 121.6 0.2 . 1 . . . . A 53 ILE N . 31199 1 464 . 1 . 1 54 54 ARG H H 1 8.20 0.02 . 1 . . . . A 54 ARG H . 31199 1 465 . 1 . 1 54 54 ARG HA H 1 4.36 0.02 . 1 . . . . A 54 ARG HA . 31199 1 466 . 1 . 1 54 54 ARG HB2 H 1 1.86 0.02 . 2 . . . . A 54 ARG HB2 . 31199 1 467 . 1 . 1 54 54 ARG HB3 H 1 1.76 0.02 . 2 . . . . A 54 ARG HB3 . 31199 1 468 . 1 . 1 54 54 ARG HG2 H 1 1.77 0.02 . 2 . . . . A 54 ARG HG2 . 31199 1 469 . 1 . 1 54 54 ARG HG3 H 1 1.77 0.02 . 2 . . . . A 54 ARG HG3 . 31199 1 470 . 1 . 1 54 54 ARG HD2 H 1 3.20 0.02 . 2 . . . . A 54 ARG HD2 . 31199 1 471 . 1 . 1 54 54 ARG HD3 H 1 3.20 0.02 . 2 . . . . A 54 ARG HD3 . 31199 1 472 . 1 . 1 54 54 ARG C C 13 175.0 0.2 . 1 . . . . A 54 ARG C . 31199 1 473 . 1 . 1 54 54 ARG CA C 13 53.1 0.2 . 1 . . . . A 54 ARG CA . 31199 1 474 . 1 . 1 54 54 ARG CB C 13 28.0 0.2 . 1 . . . . A 54 ARG CB . 31199 1 475 . 1 . 1 54 54 ARG CG C 13 24.6 0.2 . 1 . . . . A 54 ARG CG . 31199 1 476 . 1 . 1 54 54 ARG CD C 13 40.7 0.2 . 1 . . . . A 54 ARG CD . 31199 1 477 . 1 . 1 54 54 ARG N N 15 123.7 0.2 . 1 . . . . A 54 ARG N . 31199 1 478 . 1 . 1 55 55 ILE H H 1 8.07 0.02 . 1 . . . . A 55 ILE H . 31199 1 479 . 1 . 1 55 55 ILE HA H 1 4.23 0.02 . 1 . . . . A 55 ILE HA . 31199 1 480 . 1 . 1 55 55 ILE HB H 1 1.63 0.02 . 1 . . . . A 55 ILE HB . 31199 1 481 . 1 . 1 55 55 ILE HG12 H 1 1.31 0.02 . 2 . . . . A 55 ILE HG12 . 31199 1 482 . 1 . 1 55 55 ILE HG13 H 1 0.83 0.02 . 2 . . . . A 55 ILE HG13 . 31199 1 483 . 1 . 1 55 55 ILE HG21 H 1 0.35 0.02 . 1 . . . . A 55 ILE HG21 . 31199 1 484 . 1 . 1 55 55 ILE HG22 H 1 0.35 0.02 . 1 . . . . A 55 ILE HG22 . 31199 1 485 . 1 . 1 55 55 ILE HG23 H 1 0.35 0.02 . 1 . . . . A 55 ILE HG23 . 31199 1 486 . 1 . 1 55 55 ILE HD11 H 1 0.36 0.02 . 1 . . . . A 55 ILE HD11 . 31199 1 487 . 1 . 1 55 55 ILE HD12 H 1 0.36 0.02 . 1 . . . . A 55 ILE HD12 . 31199 1 488 . 1 . 1 55 55 ILE HD13 H 1 0.36 0.02 . 1 . . . . A 55 ILE HD13 . 31199 1 489 . 1 . 1 55 55 ILE C C 13 174.8 0.2 . 1 . . . . A 55 ILE C . 31199 1 490 . 1 . 1 55 55 ILE CA C 13 58.0 0.2 . 1 . . . . A 55 ILE CA . 31199 1 491 . 1 . 1 55 55 ILE CB C 13 35.8 0.2 . 1 . . . . A 55 ILE CB . 31199 1 492 . 1 . 1 55 55 ILE CG1 C 13 24.5 0.2 . 1 . . . . A 55 ILE CG1 . 31199 1 493 . 1 . 1 55 55 ILE CG2 C 13 15.6 0.2 . 1 . . . . A 55 ILE CG2 . 31199 1 494 . 1 . 1 55 55 ILE CD1 C 13 10.0 0.2 . 1 . . . . A 55 ILE CD1 . 31199 1 495 . 1 . 1 55 55 ILE N N 15 124.8 0.2 . 1 . . . . A 55 ILE N . 31199 1 496 . 1 . 1 56 56 SER H H 1 8.88 0.02 . 1 . . . . A 56 SER H . 31199 1 497 . 1 . 1 56 56 SER HA H 1 5.05 0.02 . 1 . . . . A 56 SER HA . 31199 1 498 . 1 . 1 56 56 SER HB2 H 1 3.85 0.02 . 2 . . . . A 56 SER HB2 . 31199 1 499 . 1 . 1 56 56 SER HB3 H 1 3.55 0.02 . 2 . . . . A 56 SER HB3 . 31199 1 500 . 1 . 1 56 56 SER CA C 13 53.5 0.2 . 1 . . . . A 56 SER CA . 31199 1 501 . 1 . 1 56 56 SER CB C 13 61.6 0.2 . 1 . . . . A 56 SER CB . 31199 1 502 . 1 . 1 56 56 SER N N 15 123.1 0.2 . 1 . . . . A 56 SER N . 31199 1 503 . 1 . 1 57 57 PRO HA H 1 3.94 0.02 . 1 . . . . A 57 PRO HA . 31199 1 504 . 1 . 1 57 57 PRO HB2 H 1 2.22 0.02 . 2 . . . . A 57 PRO HB2 . 31199 1 505 . 1 . 1 57 57 PRO HB3 H 1 1.93 0.02 . 2 . . . . A 57 PRO HB3 . 31199 1 506 . 1 . 1 57 57 PRO HG2 H 1 2.39 0.02 . 2 . . . . A 57 PRO HG2 . 31199 1 507 . 1 . 1 57 57 PRO HG3 H 1 1.75 0.02 . 2 . . . . A 57 PRO HG3 . 31199 1 508 . 1 . 1 57 57 PRO HD2 H 1 3.92 0.02 . 2 . . . . A 57 PRO HD2 . 31199 1 509 . 1 . 1 57 57 PRO HD3 H 1 3.70 0.02 . 2 . . . . A 57 PRO HD3 . 31199 1 510 . 1 . 1 57 57 PRO C C 13 176.5 0.2 . 1 . . . . A 57 PRO C . 31199 1 511 . 1 . 1 57 57 PRO CA C 13 61.6 0.2 . 1 . . . . A 57 PRO CA . 31199 1 512 . 1 . 1 57 57 PRO CB C 13 28.5 0.2 . 1 . . . . A 57 PRO CB . 31199 1 513 . 1 . 1 57 57 PRO CG C 13 26.2 0.2 . 1 . . . . A 57 PRO CG . 31199 1 514 . 1 . 1 57 57 PRO CD C 13 48.4 0.2 . 1 . . . . A 57 PRO CD . 31199 1 515 . 1 . 1 58 58 GLY H H 1 9.36 0.02 . 1 . . . . A 58 GLY H . 31199 1 516 . 1 . 1 58 58 GLY HA2 H 1 4.51 0.02 . 2 . . . . A 58 GLY HA2 . 31199 1 517 . 1 . 1 58 58 GLY HA3 H 1 3.80 0.02 . 2 . . . . A 58 GLY HA3 . 31199 1 518 . 1 . 1 58 58 GLY C C 13 174.4 0.2 . 1 . . . . A 58 GLY C . 31199 1 519 . 1 . 1 58 58 GLY CA C 13 41.8 0.2 . 1 . . . . A 58 GLY CA . 31199 1 520 . 1 . 1 58 58 GLY N N 15 114.9 0.2 . 1 . . . . A 58 GLY N . 31199 1 521 . 1 . 1 59 59 ASP H H 1 8.08 0.02 . 1 . . . . A 59 ASP H . 31199 1 522 . 1 . 1 59 59 ASP HA H 1 4.57 0.02 . 1 . . . . A 59 ASP HA . 31199 1 523 . 1 . 1 59 59 ASP HB2 H 1 2.73 0.02 . 2 . . . . A 59 ASP HB2 . 31199 1 524 . 1 . 1 59 59 ASP HB3 H 1 2.45 0.02 . 2 . . . . A 59 ASP HB3 . 31199 1 525 . 1 . 1 59 59 ASP CA C 13 52.5 0.2 . 1 . . . . A 59 ASP CA . 31199 1 526 . 1 . 1 59 59 ASP CB C 13 38.0 0.2 . 1 . . . . A 59 ASP CB . 31199 1 527 . 1 . 1 59 59 ASP N N 15 121.5 0.2 . 1 . . . . A 59 ASP N . 31199 1 528 . 1 . 1 60 60 LYS H H 1 8.82 0.02 . 1 . . . . A 60 LYS H . 31199 1 529 . 1 . 1 60 60 LYS HA H 1 5.11 0.02 . 1 . . . . A 60 LYS HA . 31199 1 530 . 1 . 1 60 60 LYS HB2 H 1 1.86 0.02 . 2 . . . . A 60 LYS HB2 . 31199 1 531 . 1 . 1 60 60 LYS HB3 H 1 1.86 0.02 . 2 . . . . A 60 LYS HB3 . 31199 1 532 . 1 . 1 60 60 LYS C C 13 176.7 0.2 . 1 . . . . A 60 LYS C . 31199 1 533 . 1 . 1 60 60 LYS CA C 13 52.0 0.2 . 1 . . . . A 60 LYS CA . 31199 1 534 . 1 . 1 60 60 LYS CB C 13 29.7 0.2 . 1 . . . . A 60 LYS CB . 31199 1 535 . 1 . 1 60 60 LYS CG C 13 22.2 0.2 . 1 . . . . A 60 LYS CG . 31199 1 536 . 1 . 1 60 60 LYS N N 15 120.9 0.2 . 1 . . . . A 60 LYS N . 31199 1 537 . 1 . 1 61 61 VAL H H 1 8.69 0.02 . 1 . . . . A 61 VAL H . 31199 1 538 . 1 . 1 61 61 VAL HA H 1 4.95 0.02 . 1 . . . . A 61 VAL HA . 31199 1 539 . 1 . 1 61 61 VAL HB H 1 2.13 0.02 . 1 . . . . A 61 VAL HB . 31199 1 540 . 1 . 1 61 61 VAL HG11 H 1 0.35 0.02 . 1 . . . . A 61 VAL HG11 . 31199 1 541 . 1 . 1 61 61 VAL HG12 H 1 0.35 0.02 . 1 . . . . A 61 VAL HG12 . 31199 1 542 . 1 . 1 61 61 VAL HG13 H 1 0.35 0.02 . 1 . . . . A 61 VAL HG13 . 31199 1 543 . 1 . 1 61 61 VAL HG21 H 1 0.63 0.02 . 1 . . . . A 61 VAL HG21 . 31199 1 544 . 1 . 1 61 61 VAL HG22 H 1 0.63 0.02 . 1 . . . . A 61 VAL HG22 . 31199 1 545 . 1 . 1 61 61 VAL HG23 H 1 0.63 0.02 . 1 . . . . A 61 VAL HG23 . 31199 1 546 . 1 . 1 61 61 VAL C C 13 174.2 0.2 . 1 . . . . A 61 VAL C . 31199 1 547 . 1 . 1 61 61 VAL CA C 13 55.7 0.2 . 1 . . . . A 61 VAL CA . 31199 1 548 . 1 . 1 61 61 VAL CB C 13 33.0 0.2 . 1 . . . . A 61 VAL CB . 31199 1 549 . 1 . 1 61 61 VAL CG1 C 13 14.8 0.2 . 1 . . . . A 61 VAL CG1 . 31199 1 550 . 1 . 1 61 61 VAL CG2 C 13 18.8 0.2 . 1 . . . . A 61 VAL CG2 . 31199 1 551 . 1 . 1 61 61 VAL N N 15 114.2 0.2 . 1 . . . . A 61 VAL N . 31199 1 552 . 1 . 1 62 62 THR H H 1 8.52 0.02 . 1 . . . . A 62 THR H . 31199 1 553 . 1 . 1 62 62 THR HA H 1 4.77 0.02 . 1 . . . . A 62 THR HA . 31199 1 554 . 1 . 1 62 62 THR HB H 1 3.78 0.02 . 1 . . . . A 62 THR HB . 31199 1 555 . 1 . 1 62 62 THR HG21 H 1 1.05 0.02 . 1 . . . . A 62 THR HG21 . 31199 1 556 . 1 . 1 62 62 THR HG22 H 1 1.05 0.02 . 1 . . . . A 62 THR HG22 . 31199 1 557 . 1 . 1 62 62 THR HG23 H 1 1.05 0.02 . 1 . . . . A 62 THR HG23 . 31199 1 558 . 1 . 1 62 62 THR C C 13 173.5 0.2 . 1 . . . . A 62 THR C . 31199 1 559 . 1 . 1 62 62 THR CA C 13 59.4 0.2 . 1 . . . . A 62 THR CA . 31199 1 560 . 1 . 1 62 62 THR CB C 13 67.0 0.2 . 1 . . . . A 62 THR CB . 31199 1 561 . 1 . 1 62 62 THR CG2 C 13 19.3 0.2 . 1 . . . . A 62 THR CG2 . 31199 1 562 . 1 . 1 62 62 THR N N 15 117.5 0.2 . 1 . . . . A 62 THR N . 31199 1 563 . 1 . 1 63 63 VAL H H 1 9.24 0.02 . 1 . . . . A 63 VAL H . 31199 1 564 . 1 . 1 63 63 VAL HA H 1 5.37 0.02 . 1 . . . . A 63 VAL HA . 31199 1 565 . 1 . 1 63 63 VAL HB H 1 1.84 0.02 . 1 . . . . A 63 VAL HB . 31199 1 566 . 1 . 1 63 63 VAL HG11 H 1 0.57 0.02 . 1 . . . . A 63 VAL HG11 . 31199 1 567 . 1 . 1 63 63 VAL HG12 H 1 0.57 0.02 . 1 . . . . A 63 VAL HG12 . 31199 1 568 . 1 . 1 63 63 VAL HG13 H 1 0.57 0.02 . 1 . . . . A 63 VAL HG13 . 31199 1 569 . 1 . 1 63 63 VAL HG21 H 1 0.57 0.02 . 1 . . . . A 63 VAL HG21 . 31199 1 570 . 1 . 1 63 63 VAL HG22 H 1 0.57 0.02 . 1 . . . . A 63 VAL HG22 . 31199 1 571 . 1 . 1 63 63 VAL HG23 H 1 0.57 0.02 . 1 . . . . A 63 VAL HG23 . 31199 1 572 . 1 . 1 63 63 VAL C C 13 173.8 0.2 . 1 . . . . A 63 VAL C . 31199 1 573 . 1 . 1 63 63 VAL CA C 13 55.2 0.2 . 1 . . . . A 63 VAL CA . 31199 1 574 . 1 . 1 63 63 VAL CB C 13 31.6 0.2 . 1 . . . . A 63 VAL CB . 31199 1 575 . 1 . 1 63 63 VAL CG1 C 13 17.4 0.2 . 1 . . . . A 63 VAL CG1 . 31199 1 576 . 1 . 1 63 63 VAL CG2 C 13 19.1 0.2 . 1 . . . . A 63 VAL CG2 . 31199 1 577 . 1 . 1 63 63 VAL N N 15 119.9 0.2 . 1 . . . . A 63 VAL N . 31199 1 578 . 1 . 1 64 64 GLU H H 1 9.25 0.02 . 1 . . . . A 64 GLU H . 31199 1 579 . 1 . 1 64 64 GLU HA H 1 5.33 0.02 . 1 . . . . A 64 GLU HA . 31199 1 580 . 1 . 1 64 64 GLU HB2 H 1 1.93 0.02 . 2 . . . . A 64 GLU HB2 . 31199 1 581 . 1 . 1 64 64 GLU HB3 H 1 1.85 0.02 . 2 . . . . A 64 GLU HB3 . 31199 1 582 . 1 . 1 64 64 GLU HG2 H 1 2.23 0.02 . 2 . . . . A 64 GLU HG2 . 31199 1 583 . 1 . 1 64 64 GLU HG3 H 1 2.12 0.02 . 2 . . . . A 64 GLU HG3 . 31199 1 584 . 1 . 1 64 64 GLU C C 13 175.8 0.2 . 1 . . . . A 64 GLU C . 31199 1 585 . 1 . 1 64 64 GLU CA C 13 51.7 0.2 . 1 . . . . A 64 GLU CA . 31199 1 586 . 1 . 1 64 64 GLU CB C 13 30.5 0.2 . 1 . . . . A 64 GLU CB . 31199 1 587 . 1 . 1 64 64 GLU CG C 13 35.0 0.2 . 1 . . . . A 64 GLU CG . 31199 1 588 . 1 . 1 64 64 GLU N N 15 120.7 0.2 . 1 . . . . A 64 GLU N . 31199 1 589 . 1 . 1 65 65 LEU H H 1 9.20 0.02 . 1 . . . . A 65 LEU H . 31199 1 590 . 1 . 1 65 65 LEU HA H 1 4.93 0.02 . 1 . . . . A 65 LEU HA . 31199 1 591 . 1 . 1 65 65 LEU CA C 13 51.7 0.2 . 1 . . . . A 65 LEU CA . 31199 1 592 . 1 . 1 65 65 LEU CB C 13 41.4 0.2 . 1 . . . . A 65 LEU CB . 31199 1 593 . 1 . 1 65 65 LEU N N 15 125.0 0.2 . 1 . . . . A 65 LEU N . 31199 1 594 . 1 . 1 66 66 THR H H 1 8.95 0.02 . 1 . . . . A 66 THR H . 31199 1 595 . 1 . 1 66 66 THR HA H 1 4.93 0.02 . 1 . . . . A 66 THR HA . 31199 1 596 . 1 . 1 66 66 THR HB H 1 4.24 0.02 . 1 . . . . A 66 THR HB . 31199 1 597 . 1 . 1 66 66 THR HG21 H 1 1.27 0.02 . 1 . . . . A 66 THR HG21 . 31199 1 598 . 1 . 1 66 66 THR HG22 H 1 1.27 0.02 . 1 . . . . A 66 THR HG22 . 31199 1 599 . 1 . 1 66 66 THR HG23 H 1 1.27 0.02 . 1 . . . . A 66 THR HG23 . 31199 1 600 . 1 . 1 66 66 THR CA C 13 55.5 0.2 . 1 . . . . A 66 THR CA . 31199 1 601 . 1 . 1 66 66 THR CB C 13 66.8 0.2 . 1 . . . . A 66 THR CB . 31199 1 602 . 1 . 1 66 66 THR CG2 C 13 18.8 0.2 . 1 . . . . A 66 THR CG2 . 31199 1 603 . 1 . 1 66 66 THR N N 15 115.8 0.2 . 1 . . . . A 66 THR N . 31199 1 604 . 1 . 1 67 67 PRO HA H 1 4.10 0.02 . 1 . . . . A 67 PRO HA . 31199 1 605 . 1 . 1 67 67 PRO HB2 H 1 2.17 0.02 . 2 . . . . A 67 PRO HB2 . 31199 1 606 . 1 . 1 67 67 PRO HB3 H 1 1.65 0.02 . 2 . . . . A 67 PRO HB3 . 31199 1 607 . 1 . 1 67 67 PRO HG2 H 1 1.85 0.02 . 2 . . . . A 67 PRO HG2 . 31199 1 608 . 1 . 1 67 67 PRO HG3 H 1 1.85 0.02 . 2 . . . . A 67 PRO HG3 . 31199 1 609 . 1 . 1 67 67 PRO HD2 H 1 3.75 0.02 . 2 . . . . A 67 PRO HD2 . 31199 1 610 . 1 . 1 67 67 PRO HD3 H 1 3.75 0.02 . 2 . . . . A 67 PRO HD3 . 31199 1 611 . 1 . 1 67 67 PRO C C 13 176.4 0.2 . 1 . . . . A 67 PRO C . 31199 1 612 . 1 . 1 67 67 PRO CA C 13 61.4 0.2 . 1 . . . . A 67 PRO CA . 31199 1 613 . 1 . 1 67 67 PRO CB C 13 29.0 0.2 . 1 . . . . A 67 PRO CB . 31199 1 614 . 1 . 1 67 67 PRO CG C 13 24.7 0.2 . 1 . . . . A 67 PRO CG . 31199 1 615 . 1 . 1 68 68 TYR H H 1 7.27 0.02 . 1 . . . . A 68 TYR H . 31199 1 616 . 1 . 1 68 68 TYR HA H 1 4.47 0.02 . 1 . . . . A 68 TYR HA . 31199 1 617 . 1 . 1 68 68 TYR HB2 H 1 3.15 0.02 . 2 . . . . A 68 TYR HB2 . 31199 1 618 . 1 . 1 68 68 TYR HB3 H 1 3.04 0.02 . 2 . . . . A 68 TYR HB3 . 31199 1 619 . 1 . 1 68 68 TYR HD1 H 1 7.12 0.02 . 3 . . . . A 68 TYR HD1 . 31199 1 620 . 1 . 1 68 68 TYR HD2 H 1 7.12 0.02 . 3 . . . . A 68 TYR HD2 . 31199 1 621 . 1 . 1 68 68 TYR HE1 H 1 6.91 0.02 . 3 . . . . A 68 TYR HE1 . 31199 1 622 . 1 . 1 68 68 TYR HE2 H 1 6.91 0.02 . 3 . . . . A 68 TYR HE2 . 31199 1 623 . 1 . 1 68 68 TYR C C 13 175.2 0.2 . 1 . . . . A 68 TYR C . 31199 1 624 . 1 . 1 68 68 TYR CA C 13 55.0 0.2 . 1 . . . . A 68 TYR CA . 31199 1 625 . 1 . 1 68 68 TYR CB C 13 34.9 0.2 . 1 . . . . A 68 TYR CB . 31199 1 626 . 1 . 1 68 68 TYR CD1 C 13 130.3 0.2 . 3 . . . . A 68 TYR CD1 . 31199 1 627 . 1 . 1 68 68 TYR CD2 C 13 130.3 0.2 . 3 . . . . A 68 TYR CD2 . 31199 1 628 . 1 . 1 68 68 TYR CE1 C 13 115.8 0.2 . 3 . . . . A 68 TYR CE1 . 31199 1 629 . 1 . 1 68 68 TYR CE2 C 13 115.8 0.2 . 3 . . . . A 68 TYR CE2 . 31199 1 630 . 1 . 1 68 68 TYR N N 15 113.3 0.2 . 1 . . . . A 68 TYR N . 31199 1 631 . 1 . 1 69 69 ASP H H 1 7.52 0.02 . 1 . . . . A 69 ASP H . 31199 1 632 . 1 . 1 69 69 ASP HA H 1 4.78 0.02 . 1 . . . . A 69 ASP HA . 31199 1 633 . 1 . 1 69 69 ASP HB2 H 1 2.79 0.02 . 2 . . . . A 69 ASP HB2 . 31199 1 634 . 1 . 1 69 69 ASP HB3 H 1 2.62 0.02 . 2 . . . . A 69 ASP HB3 . 31199 1 635 . 1 . 1 69 69 ASP C C 13 175.1 0.2 . 1 . . . . A 69 ASP C . 31199 1 636 . 1 . 1 69 69 ASP CA C 13 51.1 0.2 . 1 . . . . A 69 ASP CA . 31199 1 637 . 1 . 1 69 69 ASP CB C 13 38.0 0.2 . 1 . . . . A 69 ASP CB . 31199 1 638 . 1 . 1 69 69 ASP N N 15 118.7 0.2 . 1 . . . . A 69 ASP N . 31199 1 639 . 1 . 1 70 70 LEU H H 1 8.84 0.02 . 1 . . . . A 70 LEU H . 31199 1 640 . 1 . 1 70 70 LEU HA H 1 4.45 0.02 . 1 . . . . A 70 LEU HA . 31199 1 641 . 1 . 1 70 70 LEU C C 13 176.9 0.2 . 1 . . . . A 70 LEU C . 31199 1 642 . 1 . 1 70 70 LEU CA C 13 52.6 0.2 . 1 . . . . A 70 LEU CA . 31199 1 643 . 1 . 1 70 70 LEU CB C 13 38.3 0.2 . 1 . . . . A 70 LEU CB . 31199 1 644 . 1 . 1 70 70 LEU N N 15 124.0 0.2 . 1 . . . . A 70 LEU N . 31199 1 645 . 1 . 1 71 71 THR H H 1 8.38 0.02 . 1 . . . . A 71 THR H . 31199 1 646 . 1 . 1 71 71 THR HA H 1 4.58 0.02 . 1 . . . . A 71 THR HA . 31199 1 647 . 1 . 1 71 71 THR HB H 1 4.47 0.02 . 1 . . . . A 71 THR HB . 31199 1 648 . 1 . 1 71 71 THR HG21 H 1 1.29 0.02 . 1 . . . . A 71 THR HG21 . 31199 1 649 . 1 . 1 71 71 THR HG22 H 1 1.29 0.02 . 1 . . . . A 71 THR HG22 . 31199 1 650 . 1 . 1 71 71 THR HG23 H 1 1.29 0.02 . 1 . . . . A 71 THR HG23 . 31199 1 651 . 1 . 1 71 71 THR C C 13 174.5 0.2 . 1 . . . . A 71 THR C . 31199 1 652 . 1 . 1 71 71 THR CA C 13 60.2 0.2 . 1 . . . . A 71 THR CA . 31199 1 653 . 1 . 1 71 71 THR CB C 13 67.2 0.2 . 1 . . . . A 71 THR CB . 31199 1 654 . 1 . 1 71 71 THR CG2 C 13 18.8 0.2 . 1 . . . . A 71 THR CG2 . 31199 1 655 . 1 . 1 71 71 THR N N 15 108.2 0.2 . 1 . . . . A 71 THR N . 31199 1 656 . 1 . 1 72 72 ARG H H 1 7.51 0.02 . 1 . . . . A 72 ARG H . 31199 1 657 . 1 . 1 72 72 ARG HA H 1 5.25 0.02 . 1 . . . . A 72 ARG HA . 31199 1 658 . 1 . 1 72 72 ARG HB2 H 1 1.96 0.02 . 2 . . . . A 72 ARG HB2 . 31199 1 659 . 1 . 1 72 72 ARG HB3 H 1 1.81 0.02 . 2 . . . . A 72 ARG HB3 . 31199 1 660 . 1 . 1 72 72 ARG C C 13 174.1 0.2 . 1 . . . . A 72 ARG C . 31199 1 661 . 1 . 1 72 72 ARG CA C 13 52.0 0.2 . 1 . . . . A 72 ARG CA . 31199 1 662 . 1 . 1 72 72 ARG CB C 13 30.7 0.2 . 1 . . . . A 72 ARG CB . 31199 1 663 . 1 . 1 72 72 ARG CG C 13 24.5 0.2 . 1 . . . . A 72 ARG CG . 31199 1 664 . 1 . 1 72 72 ARG CD C 13 40.8 0.2 . 1 . . . . A 72 ARG CD . 31199 1 665 . 1 . 1 72 72 ARG N N 15 120.7 0.2 . 1 . . . . A 72 ARG N . 31199 1 666 . 1 . 1 73 73 ALA H H 1 8.66 0.02 . 1 . . . . A 73 ALA H . 31199 1 667 . 1 . 1 73 73 ALA HA H 1 4.92 0.02 . 1 . . . . A 73 ALA HA . 31199 1 668 . 1 . 1 73 73 ALA HB1 H 1 1.17 0.02 . 1 . . . . A 73 ALA HB1 . 31199 1 669 . 1 . 1 73 73 ALA HB2 H 1 1.17 0.02 . 1 . . . . A 73 ALA HB2 . 31199 1 670 . 1 . 1 73 73 ALA HB3 H 1 1.17 0.02 . 1 . . . . A 73 ALA HB3 . 31199 1 671 . 1 . 1 73 73 ALA C C 13 175.1 0.2 . 1 . . . . A 73 ALA C . 31199 1 672 . 1 . 1 73 73 ALA CA C 13 48.2 0.2 . 1 . . . . A 73 ALA CA . 31199 1 673 . 1 . 1 73 73 ALA CB C 13 20.2 0.2 . 1 . . . . A 73 ALA CB . 31199 1 674 . 1 . 1 73 73 ALA N N 15 121.9 0.2 . 1 . . . . A 73 ALA N . 31199 1 675 . 1 . 1 74 74 ARG H H 1 8.64 0.02 . 1 . . . . A 74 ARG H . 31199 1 676 . 1 . 1 74 74 ARG HB2 H 1 1.77 0.02 . 2 . . . . A 74 ARG HB2 . 31199 1 677 . 1 . 1 74 74 ARG HB3 H 1 1.77 0.02 . 2 . . . . A 74 ARG HB3 . 31199 1 678 . 1 . 1 74 74 ARG HG2 H 1 1.57 0.02 . 2 . . . . A 74 ARG HG2 . 31199 1 679 . 1 . 1 74 74 ARG HG3 H 1 1.51 0.02 . 2 . . . . A 74 ARG HG3 . 31199 1 680 . 1 . 1 74 74 ARG HD2 H 1 3.27 0.02 . 2 . . . . A 74 ARG HD2 . 31199 1 681 . 1 . 1 74 74 ARG HD3 H 1 3.27 0.02 . 2 . . . . A 74 ARG HD3 . 31199 1 682 . 1 . 1 74 74 ARG C C 13 175.6 0.2 . 1 . . . . A 74 ARG C . 31199 1 683 . 1 . 1 74 74 ARG CA C 13 51.7 0.2 . 1 . . . . A 74 ARG CA . 31199 1 684 . 1 . 1 74 74 ARG CB C 13 30.0 0.2 . 1 . . . . A 74 ARG CB . 31199 1 685 . 1 . 1 74 74 ARG CG C 13 25.0 0.2 . 1 . . . . A 74 ARG CG . 31199 1 686 . 1 . 1 74 74 ARG CD C 13 40.9 0.2 . 1 . . . . A 74 ARG CD . 31199 1 687 . 1 . 1 74 74 ARG N N 15 120.8 0.2 . 1 . . . . A 74 ARG N . 31199 1 688 . 1 . 1 75 75 ILE H H 1 8.88 0.02 . 1 . . . . A 75 ILE H . 31199 1 689 . 1 . 1 75 75 ILE HB H 1 1.52 0.02 . 1 . . . . A 75 ILE HB . 31199 1 690 . 1 . 1 75 75 ILE HG12 H 1 1.38 0.02 . 2 . . . . A 75 ILE HG12 . 31199 1 691 . 1 . 1 75 75 ILE HG13 H 1 0.62 0.02 . 2 . . . . A 75 ILE HG13 . 31199 1 692 . 1 . 1 75 75 ILE HG21 H 1 0.57 0.02 . 1 . . . . A 75 ILE HG21 . 31199 1 693 . 1 . 1 75 75 ILE HG22 H 1 0.57 0.02 . 1 . . . . A 75 ILE HG22 . 31199 1 694 . 1 . 1 75 75 ILE HG23 H 1 0.57 0.02 . 1 . . . . A 75 ILE HG23 . 31199 1 695 . 1 . 1 75 75 ILE HD11 H 1 0.40 0.02 . 1 . . . . A 75 ILE HD11 . 31199 1 696 . 1 . 1 75 75 ILE HD12 H 1 0.40 0.02 . 1 . . . . A 75 ILE HD12 . 31199 1 697 . 1 . 1 75 75 ILE HD13 H 1 0.40 0.02 . 1 . . . . A 75 ILE HD13 . 31199 1 698 . 1 . 1 75 75 ILE CA C 13 59.4 0.2 . 1 . . . . A 75 ILE CA . 31199 1 699 . 1 . 1 75 75 ILE CB C 13 35.2 0.2 . 1 . . . . A 75 ILE CB . 31199 1 700 . 1 . 1 75 75 ILE CG1 C 13 25.5 0.2 . 1 . . . . A 75 ILE CG1 . 31199 1 701 . 1 . 1 75 75 ILE CG2 C 13 14.3 0.2 . 1 . . . . A 75 ILE CG2 . 31199 1 702 . 1 . 1 75 75 ILE CD1 C 13 11.7 0.2 . 1 . . . . A 75 ILE CD1 . 31199 1 703 . 1 . 1 75 75 ILE N N 15 125.7 0.2 . 1 . . . . A 75 ILE N . 31199 1 704 . 1 . 1 76 76 VAL H H 1 8.37 0.02 . 1 . . . . A 76 VAL H . 31199 1 705 . 1 . 1 76 76 VAL HA H 1 4.15 0.02 . 1 . . . . A 76 VAL HA . 31199 1 706 . 1 . 1 76 76 VAL HB H 1 2.07 0.02 . 1 . . . . A 76 VAL HB . 31199 1 707 . 1 . 1 76 76 VAL HG11 H 1 0.64 0.02 . 1 . . . . A 76 VAL HG11 . 31199 1 708 . 1 . 1 76 76 VAL HG12 H 1 0.64 0.02 . 1 . . . . A 76 VAL HG12 . 31199 1 709 . 1 . 1 76 76 VAL HG13 H 1 0.64 0.02 . 1 . . . . A 76 VAL HG13 . 31199 1 710 . 1 . 1 76 76 VAL HG21 H 1 0.81 0.02 . 1 . . . . A 76 VAL HG21 . 31199 1 711 . 1 . 1 76 76 VAL HG22 H 1 0.81 0.02 . 1 . . . . A 76 VAL HG22 . 31199 1 712 . 1 . 1 76 76 VAL HG23 H 1 0.81 0.02 . 1 . . . . A 76 VAL HG23 . 31199 1 713 . 1 . 1 76 76 VAL CA C 13 59.4 0.2 . 1 . . . . A 76 VAL CA . 31199 1 714 . 1 . 1 76 76 VAL CB C 13 31.2 0.2 . 1 . . . . A 76 VAL CB . 31199 1 715 . 1 . 1 76 76 VAL CG1 C 13 16.1 0.2 . 1 . . . . A 76 VAL CG1 . 31199 1 716 . 1 . 1 76 76 VAL CG2 C 13 18.8 0.2 . 1 . . . . A 76 VAL CG2 . 31199 1 717 . 1 . 1 76 76 VAL N N 15 120.8 0.2 . 1 . . . . A 76 VAL N . 31199 1 718 . 1 . 1 78 78 ARG HA H 1 4.46 0.02 . 1 . . . . A 78 ARG HA . 31199 1 719 . 1 . 1 78 78 ARG HB2 H 1 1.67 0.02 . 2 . . . . A 78 ARG HB2 . 31199 1 720 . 1 . 1 78 78 ARG HB3 H 1 1.51 0.02 . 2 . . . . A 78 ARG HB3 . 31199 1 721 . 1 . 1 78 78 ARG C C 13 174.2 0.2 . 1 . . . . A 78 ARG C . 31199 1 722 . 1 . 1 78 78 ARG CA C 13 52.7 0.2 . 1 . . . . A 78 ARG CA . 31199 1 723 . 1 . 1 78 78 ARG CB C 13 28.9 0.2 . 1 . . . . A 78 ARG CB . 31199 1 724 . 1 . 1 78 78 ARG CG C 13 24.3 0.2 . 1 . . . . A 78 ARG CG . 31199 1 725 . 1 . 1 78 78 ARG CD C 13 40.6 0.2 . 1 . . . . A 78 ARG CD . 31199 1 726 . 1 . 1 79 79 ALA H H 1 8.41 0.02 . 1 . . . . A 79 ALA H . 31199 1 727 . 1 . 1 79 79 ALA HA H 1 4.23 0.02 . 1 . . . . A 79 ALA HA . 31199 1 728 . 1 . 1 79 79 ALA HB1 H 1 1.40 0.02 . 1 . . . . A 79 ALA HB1 . 31199 1 729 . 1 . 1 79 79 ALA HB2 H 1 1.40 0.02 . 1 . . . . A 79 ALA HB2 . 31199 1 730 . 1 . 1 79 79 ALA HB3 H 1 1.40 0.02 . 1 . . . . A 79 ALA HB3 . 31199 1 731 . 1 . 1 79 79 ALA C C 13 176.4 0.2 . 1 . . . . A 79 ALA C . 31199 1 732 . 1 . 1 79 79 ALA CA C 13 49.8 0.2 . 1 . . . . A 79 ALA CA . 31199 1 733 . 1 . 1 79 79 ALA CB C 13 16.7 0.2 . 1 . . . . A 79 ALA CB . 31199 1 734 . 1 . 1 79 79 ALA N N 15 127.8 0.2 . 1 . . . . A 79 ALA N . 31199 1 735 . 1 . 1 80 80 ARG H H 1 8.00 0.02 . 1 . . . . A 80 ARG H . 31199 1 736 . 1 . 1 80 80 ARG HA H 1 4.13 0.02 . 1 . . . . A 80 ARG HA . 31199 1 737 . 1 . 1 80 80 ARG HB2 H 1 1.84 0.02 . 2 . . . . A 80 ARG HB2 . 31199 1 738 . 1 . 1 80 80 ARG HB3 H 1 1.73 0.02 . 2 . . . . A 80 ARG HB3 . 31199 1 739 . 1 . 1 80 80 ARG CA C 13 54.8 0.2 . 1 . . . . A 80 ARG CA . 31199 1 740 . 1 . 1 80 80 ARG CB C 13 28.6 0.2 . 1 . . . . A 80 ARG CB . 31199 1 741 . 1 . 1 80 80 ARG N N 15 125.3 0.2 . 1 . . . . A 80 ARG N . 31199 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 31199 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC 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 # Number of peaks 973 #FORMAT cyana3D #INAME 1 h #INAME 2 C #INAME 3 H #CYANAFORMAT hCH 1 7.997 49.793 4.233 1 U 6.95e+05 0 e 0 0 0 0 0 2 1.406 49.758 4.236 1 U 6.75e+05 0 e 0 0 0 0 0 3 1.420 49.719 4.330 1 U 6.49e+05 0 e 0 0 0 0 0 4 8.392 49.725 4.329 1 U 3.92e+05 0 e 0 0 0 0 0 5 8.412 52.708 4.463 1 U 2.4e+05 0 e 0 0 0 0 0 6 1.683 52.716 4.463 1 U 2.18e+05 0 e 0 0 0 0 0 7 1.524 52.712 4.466 1 U 1.81e+05 0 e 0 0 0 0 0 8 8.352 53.723 4.350 1 U 4.25e+05 0 e 0 0 0 0 0 9 2.299 53.781 4.353 1 U 3.29e+05 0 e 0 0 0 0 0 10 2.105 53.744 4.353 1 U 4.4e+05 0 e 0 0 0 0 0 11 8.522 27.593 2.113 1 U 1.08e+05 0 e 0 0 0 0 0 12 8.513 27.586 1.972 1 U 1.17e+05 0 e 0 0 0 0 0 13 4.341 27.595 1.965 1 U 2.67e+05 0 e 0 0 0 0 0 14 4.345 27.588 2.118 1 U 2.49e+05 0 e 0 0 0 0 0 15 2.297 27.588 2.118 1 U 1.4e+06 0 e 0 0 0 0 0 16 2.281 27.536 1.962 1 U 8.73e+05 0 e 0 0 0 0 0 17 2.104 27.518 1.963 1 U 2.47e+06 0 e 0 0 0 0 0 18 1.965 27.588 2.120 1 U 2.29e+06 0 e 0 0 0 0 0 19 7.902 51.760 4.689 1 U 7.54e+05 0 e 0 0 0 0 0 20 2.742 51.770 4.687 1 U 6.43e+05 0 e 0 0 0 0 0 21 4.686 38.503 2.695 1 U 3.3e+05 0 e 0 0 0 0 0 22 4.690 38.459 2.763 1 U 2.65e+05 0 e 0 0 0 0 0 23 8.347 38.526 2.759 1 U 2.23e+05 0 e 0 0 0 0 0 24 8.342 38.477 2.704 1 U 1.74e+05 0 e 0 0 0 0 0 25 8.782 68.392 4.081 1 U 3.12e+05 0 e 0 0 0 0 0 26 7.899 68.399 4.080 1 U 2.01e+05 0 e 0 0 0 0 0 27 4.633 68.415 4.082 1 U 3.61e+05 0 e 0 0 0 0 0 28 1.138 68.377 4.080 1 U 6.82e+05 0 e 0 0 0 0 0 29 2.096 68.380 4.076 1 U 1.69e+05 0 e 0 0 0 0 0 30 2.218 68.475 4.085 1 U 1.39e+05 0 e 0 0 0 0 0 31 4.079 58.741 4.637 1 U 4.3e+05 0 e 0 0 0 0 0 32 3.746 58.759 4.638 1 U 2.86e+05 0 e 0 0 0 0 0 33 1.139 58.757 4.636 1 U 4.31e+05 0 e 0 0 0 0 0 34 7.895 58.746 4.638 1 U 2.64e+05 0 e 0 0 0 0 0 35 8.781 58.710 4.635 1 U 8.71e+05 0 e 0 0 0 0 0 36 4.067 19.200 1.142 1 U 7.56e+05 0 e 0 0 0 0 0 37 4.628 19.246 1.140 1 U 6.83e+05 0 e 0 0 0 0 0 38 8.777 19.158 1.139 1 U 4.34e+05 0 e 0 0 0 0 0 39 2.130 19.223 1.141 1 U 5.14e+05 0 e 0 0 0 0 0 40 1.938 19.206 1.140 1 U 5.84e+05 0 e 0 0 0 0 0 41 1.392 19.209 1.145 1 U 4.4e+05 0 e 0 0 0 0 0 42 0.829 19.174 1.136 1 U 6.47e+05 0 e 0 0 0 0 0 43 8.524 57.447 4.432 1 U 7.17e+05 0 e 0 0 0 0 0 44 8.788 57.379 4.433 1 U 1.62e+05 0 e 0 0 0 0 0 45 1.778 57.438 4.428 1 U 2.27e+05 0 e 0 0 0 0 0 46 0.869 57.439 4.431 1 U 2.93e+05 0 e 0 0 0 0 0 47 8.774 38.271 1.779 1 U 1.36e+05 0 e 0 0 0 0 0 48 8.527 38.274 1.788 1 U 9.42e+04 0 e 0 0 0 0 0 49 4.435 38.173 1.777 1 U 1.46e+05 0 e 0 0 0 0 0 50 0.858 38.259 1.780 1 U 4.5e+05 0 e 0 0 0 0 0 51 1.778 15.091 0.873 1 U 6.92e+05 0 e 0 0 0 0 0 52 1.024 15.085 0.874 1 U 6.98e+05 0 e 0 0 0 0 0 53 8.527 15.049 0.876 1 U 2.49e+05 0 e 0 0 0 0 0 54 4.432 15.000 0.872 1 U 3.23e+05 0 e 0 0 0 0 0 55 1.785 24.259 1.030 1 U 1.38e+05 0 e 0 0 0 0 0 56 1.775 24.291 1.426 1 U 1.85e+05 0 e 0 0 0 0 0 57 1.044 24.212 1.423 1 U 7.94e+05 0 e 0 0 0 0 0 58 1.426 24.212 1.039 1 U 6.8e+05 0 e 0 0 0 0 0 59 8.904 51.424 5.594 1 U 7.31e+05 0 e 0 0 0 0 0 60 8.531 51.580 5.594 1 U 1.8e+05 0 e 0 0 0 0 0 61 9.225 51.500 5.592 1 U 1.24e+05 0 e 0 0 0 0 0 62 5.321 51.467 5.597 1 U 3.52e+05 0 e 0 0 0 0 0 63 2.434 51.433 5.597 1 U 1.53e+05 0 e 0 0 0 0 0 64 2.151 51.450 5.594 1 U 2.85e+05 0 e 0 0 0 0 0 65 1.815 51.451 5.598 1 U 3.31e+05 0 e 0 0 0 0 0 66 1.918 51.500 5.598 1 U 2.32e+05 0 e 0 0 0 0 0 67 1.052 51.500 5.598 1 U 1.14e+05 0 e 0 0 0 0 0 68 1.057 28.143 1.931 1 U 1.62e+05 0 e 0 0 0 0 0 69 1.055 28.124 1.821 1 U 1.97e+05 0 e 0 0 0 0 0 70 5.595 28.100 1.935 1 U 2e+05 0 e 0 0 0 0 0 71 5.590 28.100 1.822 1 U 2.24e+05 0 e 0 0 0 0 0 72 2.425 28.100 1.817 1 U 1.98e+05 0 e 0 0 0 0 0 73 2.409 28.100 1.936 1 U 3.48e+05 0 e 0 0 0 0 0 74 8.528 28.110 1.930 1 U 2.42e+05 0 e 0 0 0 0 0 75 8.515 28.100 1.822 1 U 1.38e+05 0 e 0 0 0 0 0 76 8.904 28.100 1.926 1 U 1.16e+05 0 e 0 0 0 0 0 77 5.599 31.892 2.158 1 U 2.21e+05 0 e 0 0 0 0 0 78 5.305 31.895 2.166 1 U 1.03e+05 0 e 0 0 0 0 0 79 8.514 31.890 2.148 1 U 1.16e+05 0 e 0 0 0 0 0 80 7.858 31.900 2.150 1 U 1.21e+05 0 e 0 0 0 0 0 81 2.435 31.813 2.152 1 U 8.99e+05 0 e 0 0 0 0 0 82 1.936 31.855 2.157 1 U 5.92e+05 0 e 0 0 0 0 0 83 1.853 31.900 2.159 1 U 3.71e+05 0 e 0 0 0 0 0 84 1.036 31.900 2.158 1 U 1.34e+05 0 e 0 0 0 0 0 85 1.052 31.900 2.440 1 U 1.24e+05 0 e 0 0 0 0 0 86 1.848 31.900 2.441 1 U 1.64e+05 0 e 0 0 0 0 0 87 1.978 31.900 2.442 1 U 6.06e+05 0 e 0 0 0 0 0 88 2.174 31.900 2.440 1 U 1.57e+06 0 e 0 0 0 0 0 89 5.306 31.900 2.441 1 U 1.09e+05 0 e 0 0 0 0 0 90 5.584 31.900 2.445 1 U 8.54e+04 0 e 0 0 0 0 0 91 8.504 31.900 2.441 1 U 7.49e+04 0 e 0 0 0 0 0 92 7.850 31.900 2.445 1 U 7.55e+04 0 e 0 0 0 0 0 93 4.756 51.937 5.135 1 U 3.64e+05 0 e 0 0 0 0 0 94 2.412 51.948 5.133 1 U 2.21e+05 0 e 0 0 0 0 0 95 2.192 51.983 5.131 1 U 3.38e+05 0 e 0 0 0 0 0 96 2.003 52.012 5.137 1 U 2.45e+05 0 e 0 0 0 0 0 97 8.874 52.012 5.133 1 U 6.68e+05 0 e 0 0 0 0 0 98 9.236 51.975 5.139 1 U 1.5e+05 0 e 0 0 0 0 0 99 1.741 35.606 2.148 1 U 8.93e+05 0 e 0 0 0 0 0 100 0.584 35.641 2.137 1 U 1.64e+05 0 e 0 0 0 0 0 101 4.764 35.628 2.152 1 U 1.71e+05 0 e 0 0 0 0 0 102 4.745 35.529 1.737 1 U 1.37e+05 0 e 0 0 0 0 0 103 2.140 35.552 1.741 1 U 8.64e+05 0 e 0 0 0 0 0 104 2.448 35.665 1.752 1 U 1.96e+05 0 e 0 0 0 0 0 105 2.447 35.600 2.144 1 U 1.82e+05 0 e 0 0 0 0 0 106 8.984 35.653 2.144 1 U 1.8e+05 0 e 0 0 0 0 0 107 8.917 35.595 1.743 1 U 1.36e+05 0 e 0 0 0 0 0 108 0.584 35.600 1.743 1 U 2.16e+05 0 e 0 0 0 0 0 109 2.578 35.618 2.145 1 U 2.06e+05 0 e 0 0 0 0 0 110 0.847 29.959 2.459 1 U 2.23e+05 0 e 0 0 0 0 0 111 1.745 29.928 2.461 1 U 2.92e+05 0 e 0 0 0 0 0 112 1.755 29.910 2.599 1 U 2.52e+05 0 e 0 0 0 0 0 113 0.856 29.900 2.594 1 U 1.76e+05 0 e 0 0 0 0 0 114 0.567 29.908 2.594 1 U 1.15e+05 0 e 0 0 0 0 0 115 0.579 29.911 2.456 1 U 1.21e+05 0 e 0 0 0 0 0 116 2.141 29.919 2.465 1 U 3.6e+05 0 e 0 0 0 0 0 117 2.136 29.900 2.602 1 U 2.5e+05 0 e 0 0 0 0 0 118 2.459 29.979 2.595 1 U 1.87e+06 0 e 0 0 0 0 0 119 2.595 29.992 2.460 1 U 1.69e+06 0 e 0 0 0 0 0 120 4.762 29.900 2.448 1 U 1e+05 0 e 0 0 0 0 0 121 4.756 29.900 2.594 1 U 1.44e+05 0 e 0 0 0 0 0 122 9.217 29.900 2.455 1 U 1.04e+05 0 e 0 0 0 0 0 123 8.978 52.161 4.766 1 U 5.83e+05 0 e 0 0 0 0 0 124 1.979 52.193 4.765 1 U 2.14e+05 0 e 0 0 0 0 0 125 2.150 52.200 4.766 1 U 2.15e+05 0 e 0 0 0 0 0 126 5.128 28.347 1.992 1 U 1.95e+05 0 e 0 0 0 0 0 127 4.764 28.334 1.996 1 U 1.06e+05 0 e 0 0 0 0 0 128 8.979 28.313 1.993 1 U 3.12e+05 0 e 0 0 0 0 0 129 2.196 28.387 1.991 1 U 1.38e+06 0 e 0 0 0 0 0 130 2.409 28.387 1.994 1 U 6.36e+05 0 e 0 0 0 0 0 131 2.400 28.317 2.207 1 U 1.03e+06 0 e 0 0 0 0 0 132 1.995 28.387 2.206 1 U 1.41e+06 0 e 0 0 0 0 0 133 5.121 28.387 2.203 1 U 2.05e+05 0 e 0 0 0 0 0 134 4.762 28.387 2.210 1 U 8.1e+04 0 e 0 0 0 0 0 135 8.983 28.387 2.203 1 U 1.67e+05 0 e 0 0 0 0 0 136 8.896 28.387 2.208 1 U 1.26e+05 0 e 0 0 0 0 0 137 1.980 31.954 2.437 1 U 6.37e+05 0 e 0 0 0 0 0 138 4.755 31.944 2.438 1 U 2.03e+05 0 e 0 0 0 0 0 139 5.130 31.968 2.428 1 U 2.4e+05 0 e 0 0 0 0 0 140 8.978 31.955 2.423 1 U 2.37e+05 0 e 0 0 0 0 0 141 8.873 42.844 3.334 1 U 1.85e+05 0 e 0 0 0 0 0 142 8.678 42.785 3.349 1 U 3.17e+05 0 e 0 0 0 0 0 143 0.533 42.722 3.335 1 U 2.99e+05 0 e 0 0 0 0 0 144 8.964 50.833 5.281 1 U 5.37e+05 0 e 0 0 0 0 0 145 8.678 50.885 5.280 1 U 2.95e+05 0 e 0 0 0 0 0 146 5.111 50.835 5.278 1 U 4.03e+05 0 e 0 0 0 0 0 147 2.393 50.855 5.282 1 U 1.01e+05 0 e 0 0 0 0 0 148 2.009 50.831 5.280 1 U 2.55e+05 0 e 0 0 0 0 0 149 1.859 50.828 5.278 1 U 4.74e+05 0 e 0 0 0 0 0 150 0.359 50.829 5.272 1 U 1.04e+05 0 e 0 0 0 0 0 151 1.534 50.880 5.267 1 U 1.5e+05 0 e 0 0 0 0 0 152 5.274 31.188 1.845 1 U 1.97e+05 0 e 0 0 0 0 0 153 8.676 31.188 1.844 1 U 2.29e+05 0 e 0 0 0 0 0 154 8.678 31.188 1.885 1 U 2.14e+05 0 e 0 0 0 0 0 155 5.274 31.200 1.886 1 U 1.93e+05 0 e 0 0 0 0 0 156 0.578 31.188 1.832 1 U 1.48e+05 0 e 0 0 0 0 0 157 0.562 31.188 1.879 1 U 1.25e+05 0 e 0 0 0 0 0 158 5.275 33.469 2.017 1 U 2.56e+05 0 e 0 0 0 0 0 159 8.951 33.443 2.019 1 U 1.49e+05 0 e 0 0 0 0 0 160 8.114 33.453 2.028 1 U 9.04e+04 0 e 0 0 0 0 0 161 1.875 33.412 2.016 1 U 1.42e+06 0 e 0 0 0 0 0 162 0.881 33.437 2.018 1 U 1.6e+05 0 e 0 0 0 0 0 163 9.595 56.826 3.996 1 U 3.35e+05 0 e 0 0 0 0 0 164 8.978 56.833 3.997 1 U 9.16e+04 0 e 0 0 0 0 0 165 4.642 56.844 4.000 1 U 1.77e+05 0 e 0 0 0 0 0 166 1.573 56.894 4.003 1 U 9.47e+04 0 e 0 0 0 0 0 167 0.700 56.873 3.996 1 U 2.65e+05 0 e 0 0 0 0 0 168 0.302 56.880 3.997 1 U 2.62e+05 0 e 0 0 0 0 0 169 1.535 32.315 2.380 1 U 1.74e+05 0 e 0 0 0 0 0 170 0.708 32.417 2.375 1 U 1.86e+05 0 e 0 0 0 0 0 171 1.096 32.400 2.378 1 U 1.21e+05 0 e 0 0 0 0 0 172 2.006 32.400 2.383 1 U 2.21e+05 0 e 0 0 0 0 0 173 8.073 32.400 2.381 1 U 1.03e+05 0 e 0 0 0 0 0 174 8.967 32.400 2.381 1 U 1.73e+05 0 e 0 0 0 0 0 175 0.329 22.421 1.084 1 U 2.8e+05 0 e 0 0 0 0 0 176 0.317 22.509 1.538 1 U 2.26e+05 0 e 0 0 0 0 0 177 0.676 22.560 1.537 1 U 1.43e+05 0 e 0 0 0 0 0 178 0.682 22.488 1.086 1 U 1.06e+05 0 e 0 0 0 0 0 179 1.087 22.409 1.534 1 U 3.54e+05 0 e 0 0 0 0 0 180 1.537 22.410 1.078 1 U 3.09e+05 0 e 0 0 0 0 0 181 2.372 22.442 1.089 1 U 1.29e+05 0 e 0 0 0 0 0 182 2.376 22.488 1.531 1 U 8.88e+04 0 e 0 0 0 0 0 183 8.952 22.523 1.524 1 U 1.11e+05 0 e 0 0 0 0 0 184 8.956 22.488 1.088 1 U 8.22e+04 0 e 0 0 0 0 0 185 1.532 14.795 0.348 1 U 1.93e+05 0 e 0 0 0 0 0 186 1.905 14.842 0.346 1 U 1.8e+05 0 e 0 0 0 0 0 187 2.128 14.691 0.349 1 U 6.92e+05 0 e 0 0 0 0 0 188 2.421 14.876 0.356 1 U 1.18e+05 0 e 0 0 0 0 0 189 5.123 14.820 0.352 1 U 2.42e+05 0 e 0 0 0 0 0 190 4.855 14.815 0.351 1 U 1.25e+05 0 e 0 0 0 0 0 191 5.271 14.827 0.356 1 U 1.31e+05 0 e 0 0 0 0 0 192 8.684 14.723 0.349 1 U 5.36e+05 0 e 0 0 0 0 0 193 8.866 14.834 0.353 1 U 1.81e+05 0 e 0 0 0 0 0 194 9.597 14.913 0.716 1 U 2.12e+05 0 e 0 0 0 0 0 195 9.352 14.919 0.721 1 U 1.59e+05 0 e 0 0 0 0 0 196 8.949 14.869 0.714 1 U 1.38e+05 0 e 0 0 0 0 0 197 8.133 14.873 0.712 1 U 1.12e+05 0 e 0 0 0 0 0 198 7.408 14.900 0.717 1 U 2.44e+05 0 e 0 0 0 0 0 199 7.006 14.878 0.722 1 U 2.46e+05 0 e 0 0 0 0 0 200 4.677 14.857 0.716 1 U 1.81e+05 0 e 0 0 0 0 0 201 3.953 14.892 0.720 1 U 6.4e+05 0 e 0 0 0 0 0 202 3.004 14.866 0.718 1 U 1.75e+05 0 e 0 0 0 0 0 203 2.367 14.881 0.718 1 U 5.98e+05 0 e 0 0 0 0 0 204 1.761 14.860 0.718 1 U 2.17e+05 0 e 0 0 0 0 0 205 1.548 14.864 0.717 1 U 2.71e+05 0 e 0 0 0 0 0 206 1.274 14.931 0.720 1 U 1.61e+05 0 e 0 0 0 0 0 207 1.081 14.886 0.718 1 U 3.21e+05 0 e 0 0 0 0 0 208 0.308 14.868 0.718 1 U 8.75e+05 0 e 0 0 0 0 0 209 2.231 52.614 4.728 1 U 4.08e+05 0 e 0 0 0 0 0 210 1.713 52.632 4.726 1 U 2.37e+05 0 e 0 0 0 0 0 211 1.924 52.700 4.724 1 U 2.68e+05 0 e 0 0 0 0 0 212 9.146 52.700 4.725 1 U 5.87e+05 0 e 0 0 0 0 0 213 7.393 52.700 4.727 1 U 2.2e+05 0 e 0 0 0 0 0 214 9.142 32.228 1.977 1 U 8.2e+04 0 e 0 0 0 0 0 215 9.139 32.327 1.900 1 U 8.61e+04 0 e 0 0 0 0 0 216 4.725 32.501 1.978 1 U 1.76e+05 0 e 0 0 0 0 0 217 4.728 32.457 1.907 1 U 1.7e+05 0 e 0 0 0 0 0 218 7.412 32.466 1.908 1 U 9.94e+04 0 e 0 0 0 0 0 219 7.404 32.508 1.982 1 U 7.93e+04 0 e 0 0 0 0 0 220 2.233 32.582 1.971 1 U 3.41e+05 0 e 0 0 0 0 0 221 2.223 32.500 1.905 1 U 2.61e+05 0 e 0 0 0 0 0 222 1.759 32.447 1.910 1 U 3.26e+05 0 e 0 0 0 0 0 223 1.757 32.459 1.984 1 U 3.11e+05 0 e 0 0 0 0 0 224 0.840 32.500 1.982 1 U 1.31e+05 0 e 0 0 0 0 0 225 0.824 32.500 1.926 1 U 1.93e+05 0 e 0 0 0 0 0 226 0.867 33.263 2.230 1 U 1.69e+05 0 e 0 0 0 0 0 227 4.715 33.221 2.257 1 U 1.78e+05 0 e 0 0 0 0 0 228 9.155 33.228 2.242 1 U 1.66e+05 0 e 0 0 0 0 0 229 9.148 58.751 4.389 1 U 1.78e+05 0 e 0 0 0 0 0 230 8.129 58.797 4.395 1 U 5.07e+05 0 e 0 0 0 0 0 231 7.006 58.733 4.393 1 U 2.98e+05 0 e 0 0 0 0 0 232 5.158 58.744 4.398 1 U 2.46e+05 0 e 0 0 0 0 0 233 1.277 58.756 4.394 1 U 3.68e+05 0 e 0 0 0 0 0 234 0.755 58.826 4.394 1 U 1.66e+05 0 e 0 0 0 0 0 235 1.428 58.800 4.395 1 U 1.38e+05 0 e 0 0 0 0 0 236 9.147 66.230 4.239 1 U 2.52e+05 0 e 0 0 0 0 0 237 8.120 66.300 4.245 1 U 1.23e+05 0 e 0 0 0 0 0 238 4.390 66.235 4.236 1 U 4.27e+05 0 e 0 0 0 0 0 239 1.278 66.300 4.240 1 U 6.46e+05 0 e 0 0 0 0 0 240 4.238 19.098 1.280 1 U 9.66e+05 0 e 0 0 0 0 0 241 7.005 19.146 1.271 1 U 3.8e+05 0 e 0 0 0 0 0 242 8.118 19.177 1.277 1 U 4.46e+05 0 e 0 0 0 0 0 243 9.155 19.176 1.274 1 U 4.21e+05 0 e 0 0 0 0 0 244 8.911 19.191 1.272 1 U 3.27e+05 0 e 0 0 0 0 0 245 8.373 19.180 1.282 1 U 4.5e+05 0 e 0 0 0 0 0 246 7.205 19.187 1.277 1 U 5.79e+05 0 e 0 0 0 0 0 247 5.040 19.177 1.276 1 U 4.6e+05 0 e 0 0 0 0 0 248 3.921 19.201 1.273 1 U 4.56e+05 0 e 0 0 0 0 0 249 4.362 34.139 2.883 1 U 6.14e+05 0 e 0 0 0 0 0 250 1.754 34.171 2.892 1 U 1.26e+05 0 e 0 0 0 0 0 251 7.643 34.127 2.877 1 U 2.87e+05 0 e 0 0 0 0 0 252 8.587 34.135 2.879 1 U 1.12e+05 0 e 0 0 0 0 0 253 8.677 50.919 4.357 1 U 2.06e+05 0 e 0 0 0 0 0 254 2.878 50.905 4.361 1 U 6.7e+05 0 e 0 0 0 0 0 255 3.872 51.048 4.359 1 U 1.1e+05 0 e 0 0 0 0 0 256 3.856 13.896 1.438 1 U 8.17e+05 0 e 0 0 0 0 0 257 8.588 13.905 1.434 1 U 2.68e+05 0 e 0 0 0 0 0 258 8.585 50.289 3.860 1 U 4.64e+05 0 e 0 0 0 0 0 259 1.442 50.286 3.864 1 U 6.47e+05 0 e 0 0 0 0 0 260 6.431 50.213 3.861 1 U 1.76e+05 0 e 0 0 0 0 0 261 8.877 57.923 5.059 1 U 3.74e+05 0 e 0 0 0 0 0 262 6.999 57.986 5.060 1 U 2.33e+05 0 e 0 0 0 0 0 263 3.942 57.913 5.059 1 U 2.73e+05 0 e 0 0 0 0 0 264 1.134 57.940 5.057 1 U 3.8e+05 0 e 0 0 0 0 0 265 8.874 68.915 3.937 1 U 2.43e+05 0 e 0 0 0 0 0 266 6.420 69.000 3.935 1 U 1.16e+05 0 e 0 0 0 0 0 267 5.050 69.000 3.938 1 U 1.93e+05 0 e 0 0 0 0 0 268 1.439 69.000 3.941 1 U 1.97e+05 0 e 0 0 0 0 0 269 1.132 68.923 3.942 1 U 5.43e+05 0 e 0 0 0 0 0 270 0.923 68.999 3.940 1 U 1.07e+05 0 e 0 0 0 0 0 271 3.934 18.819 1.140 1 U 6.86e+05 0 e 0 0 0 0 0 272 5.063 18.852 1.132 1 U 4.82e+05 0 e 0 0 0 0 0 273 8.690 53.874 5.157 1 U 1.65e+05 0 e 0 0 0 0 0 274 3.000 53.900 5.163 1 U 1.06e+05 0 e 0 0 0 0 0 275 2.285 40.992 3.013 1 U 1.8e+05 0 e 0 0 0 0 0 276 2.989 40.900 2.290 1 U 1.48e+05 0 e 0 0 0 0 0 277 7.009 40.900 2.290 1 U 6.74e+04 0 e 0 0 0 0 0 278 6.998 40.900 3.001 1 U 7.91e+04 0 e 0 0 0 0 0 279 1.326 22.851 1.447 1 U 4.03e+05 0 e 0 0 0 0 0 280 1.434 22.822 1.322 1 U 4.02e+05 0 e 0 0 0 0 0 281 1.725 22.887 1.451 1 U 1.7e+05 0 e 0 0 0 0 0 282 1.703 22.887 1.326 1 U 1.68e+05 0 e 0 0 0 0 0 283 0.779 22.887 1.443 1 U 1.34e+05 0 e 0 0 0 0 0 284 0.788 22.887 1.337 1 U 7.85e+04 0 e 0 0 0 0 0 285 8.693 31.642 1.761 1 U 1.31e+05 0 e 0 0 0 0 0 286 4.977 31.641 1.751 1 U 1.18e+05 0 e 0 0 0 0 0 287 0.776 31.618 1.755 1 U 1.28e+05 0 e 0 0 0 0 0 288 1.450 31.600 1.755 1 U 1.38e+05 0 e 0 0 0 0 0 289 1.357 31.600 1.758 1 U 1.22e+05 0 e 0 0 0 0 0 290 4.971 31.600 1.748 1 U 1.15e+05 0 e 0 0 0 0 0 291 9.157 58.075 4.642 1 U 4.35e+05 0 e 0 0 0 0 0 292 9.495 58.012 4.642 1 U 1.16e+05 0 e 0 0 0 0 0 293 0.498 58.099 4.642 1 U 2.84e+05 0 e 0 0 0 0 0 294 0.685 58.012 4.644 1 U 2.69e+05 0 e 0 0 0 0 0 295 4.854 58.058 4.631 1 U 1.51e+05 0 e 0 0 0 0 0 296 1.760 58.012 4.644 1 U 1.5e+05 0 e 0 0 0 0 0 297 1.592 58.012 4.642 1 U 1.23e+05 0 e 0 0 0 0 0 298 9.501 31.696 1.916 1 U 1.58e+05 0 e 0 0 0 0 0 299 0.682 31.787 1.912 1 U 3.67e+05 0 e 0 0 0 0 0 300 0.529 31.787 1.915 1 U 3.22e+05 0 e 0 0 0 0 0 301 1.914 18.765 0.506 1 U 7.36e+05 0 e 0 0 0 0 0 302 0.655 18.700 0.507 1 U 1.2e+06 0 e 0 0 0 0 0 303 0.355 18.700 0.504 1 U 6e+05 0 e 0 0 0 0 0 304 3.348 18.787 0.503 1 U 3.58e+05 0 e 0 0 0 0 0 305 4.642 18.700 0.503 1 U 3.04e+05 0 e 0 0 0 0 0 306 4.838 18.700 0.501 1 U 1.57e+05 0 e 0 0 0 0 0 307 8.686 18.781 0.506 1 U 3.35e+05 0 e 0 0 0 0 0 308 8.879 18.651 0.498 1 U 1.47e+05 0 e 0 0 0 0 0 309 9.152 18.700 0.499 1 U 2.44e+05 0 e 0 0 0 0 0 310 9.517 18.700 0.496 1 U 8.56e+04 0 e 0 0 0 0 0 311 0.308 18.123 0.684 1 U 9.35e+05 0 e 0 0 0 0 0 312 0.526 18.160 0.684 1 U 1.3e+06 0 e 0 0 0 0 0 313 1.914 18.106 0.684 1 U 8.51e+05 0 e 0 0 0 0 0 314 2.292 18.207 0.681 1 U 2.2e+05 0 e 0 0 0 0 0 315 3.043 18.167 0.682 1 U 2.99e+05 0 e 0 0 0 0 0 316 4.647 18.124 0.688 1 U 3.95e+05 0 e 0 0 0 0 0 317 4.959 18.207 0.688 1 U 1.85e+05 0 e 0 0 0 0 0 318 9.483 18.096 0.683 1 U 3.6e+05 0 e 0 0 0 0 0 319 8.136 18.258 0.684 1 U 1.35e+05 0 e 0 0 0 0 0 320 9.154 18.255 0.683 1 U 1.3e+05 0 e 0 0 0 0 0 321 4.850 20.686 0.593 1 U 1.04e+05 0 e 0 0 0 0 0 322 1.756 20.668 0.590 1 U 1.39e+05 0 e 0 0 0 0 0 323 1.543 20.659 0.588 1 U 8.51e+04 0 e 0 0 0 0 0 324 0.946 20.656 0.588 1 U 1.51e+05 0 e 0 0 0 0 0 325 8.320 55.415 4.265 1 U 4.86e+05 0 e 0 0 0 0 0 326 7.190 55.372 4.267 1 U 1.56e+05 0 e 0 0 0 0 0 327 2.166 55.393 4.263 1 U 8.07e+05 0 e 0 0 0 0 0 328 2.434 55.399 4.263 1 U 1.66e+05 0 e 0 0 0 0 0 329 4.262 27.084 2.198 1 U 4.27e+05 0 e 0 0 0 0 0 330 4.261 27.086 2.134 1 U 3.61e+05 0 e 0 0 0 0 0 331 8.318 27.054 2.134 1 U 2.35e+05 0 e 0 0 0 0 0 332 8.312 27.049 2.197 1 U 2.75e+05 0 e 0 0 0 0 0 333 2.425 27.069 2.199 1 U 5.63e+05 0 e 0 0 0 0 0 334 2.427 27.046 2.132 1 U 4.83e+05 0 e 0 0 0 0 0 335 9.003 27.068 2.193 1 U 1.01e+05 0 e 0 0 0 0 0 336 8.970 27.077 2.134 1 U 7.71e+04 0 e 0 0 0 0 0 337 2.280 33.581 2.428 1 U 2.41e+06 0 e 0 0 0 0 0 338 4.257 33.516 2.424 1 U 1.48e+05 0 e 0 0 0 0 0 339 8.320 33.616 2.428 1 U 2.36e+05 0 e 0 0 0 0 0 340 2.432 33.587 2.285 1 U 1.84e+06 0 e 0 0 0 0 0 341 3.237 49.556 4.691 1 U 4.9e+05 0 e 0 0 0 0 0 342 2.657 49.513 4.695 1 U 3.95e+05 0 e 0 0 0 0 0 343 8.335 49.501 4.692 1 U 1.41e+05 0 e 0 0 0 0 0 344 2.670 34.680 3.248 1 U 7.48e+05 0 e 0 0 0 0 0 345 3.242 34.709 2.673 1 U 7.48e+05 0 e 0 0 0 0 0 346 4.694 34.702 2.672 1 U 3.01e+05 0 e 0 0 0 0 0 347 4.692 34.702 3.253 1 U 3.11e+05 0 e 0 0 0 0 0 348 7.499 34.710 3.250 1 U 1.63e+05 0 e 0 0 0 0 0 349 7.214 34.752 2.688 1 U 1.05e+05 0 e 0 0 0 0 0 350 7.504 34.700 2.677 1 U 1.14e+05 0 e 0 0 0 0 0 351 8.341 54.242 4.213 1 U 7.34e+05 0 e 0 0 0 0 0 352 3.140 54.236 4.214 1 U 3.17e+05 0 e 0 0 0 0 0 353 2.893 54.228 4.211 1 U 4.42e+05 0 e 0 0 0 0 0 354 7.831 54.300 4.213 1 U 1.34e+05 0 e 0 0 0 0 0 355 1.760 54.300 4.215 1 U 1.37e+05 0 e 0 0 0 0 0 356 1.543 54.300 4.215 1 U 1.62e+05 0 e 0 0 0 0 0 357 1.281 54.300 4.213 1 U 1.81e+05 0 e 0 0 0 0 0 358 2.889 36.305 3.143 1 U 1.72e+06 0 e 0 0 0 0 0 359 3.138 36.331 2.887 1 U 1.61e+06 0 e 0 0 0 0 0 360 4.208 36.319 2.890 1 U 3.6e+05 0 e 0 0 0 0 0 361 4.198 36.300 3.140 1 U 1.74e+05 0 e 0 0 0 0 0 362 8.338 36.300 2.884 1 U 1.25e+05 0 e 0 0 0 0 0 363 7.822 27.851 3.172 1 U 1.78e+05 0 e 0 0 0 0 0 364 7.812 27.818 3.022 1 U 1.48e+05 0 e 0 0 0 0 0 365 4.643 27.819 3.172 1 U 1.58e+05 0 e 0 0 0 0 0 366 9.024 57.067 5.128 1 U 4.2e+05 0 e 0 0 0 0 0 367 0.815 57.103 5.126 1 U 3.39e+05 0 e 0 0 0 0 0 368 1.014 57.113 5.126 1 U 1.21e+05 0 e 0 0 0 0 0 369 1.684 57.113 5.127 1 U 1.26e+05 0 e 0 0 0 0 0 370 9.379 57.084 5.125 1 U 1.63e+05 0 e 0 0 0 0 0 371 8.397 35.592 1.767 1 U 2.33e+05 0 e 0 0 0 0 0 372 0.807 35.600 1.766 1 U 7.48e+05 0 e 0 0 0 0 0 373 1.025 35.600 1.765 1 U 1.23e+05 0 e 0 0 0 0 0 374 5.128 15.073 0.794 1 U 4.72e+05 0 e 0 0 0 0 0 375 9.029 14.942 0.796 1 U 3.57e+05 0 e 0 0 0 0 0 376 8.394 14.981 0.801 1 U 1.18e+05 0 e 0 0 0 0 0 377 1.757 15.001 0.797 1 U 1.15e+06 0 e 0 0 0 0 0 378 1.027 14.975 0.798 1 U 4.29e+05 0 e 0 0 0 0 0 379 1.313 14.990 0.797 1 U 3.2e+05 0 e 0 0 0 0 0 380 1.451 14.995 0.797 1 U 3.06e+05 0 e 0 0 0 0 0 381 5.122 25.201 1.656 1 U 1.7e+05 0 e 0 0 0 0 0 382 5.132 25.329 1.038 1 U 1.17e+05 0 e 0 0 0 0 0 383 1.653 25.255 1.035 1 U 5.53e+05 0 e 0 0 0 0 0 384 0.843 25.296 1.029 1 U 4.84e+05 0 e 0 0 0 0 0 385 0.844 25.243 1.657 1 U 4.45e+05 0 e 0 0 0 0 0 386 1.027 25.300 1.655 1 U 6.26e+05 0 e 0 0 0 0 0 387 3.016 25.288 1.658 1 U 1.08e+05 0 e 0 0 0 0 0 388 1.771 25.288 1.034 1 U 1.64e+05 0 e 0 0 0 0 0 389 8.403 25.247 1.650 1 U 1.07e+05 0 e 0 0 0 0 0 390 8.103 55.560 4.796 1 U 7.96e+05 0 e 0 0 0 0 0 391 0.822 55.637 4.795 1 U 4.42e+05 0 e 0 0 0 0 0 392 4.792 32.924 1.934 1 U 2.88e+05 0 e 0 0 0 0 0 393 8.107 32.985 1.934 1 U 3.06e+05 0 e 0 0 0 0 0 394 5.241 32.900 1.933 1 U 9.6e+04 0 e 0 0 0 0 0 395 0.828 32.938 1.937 1 U 4.4e+05 0 e 0 0 0 0 0 396 0.627 32.936 1.934 1 U 3.41e+05 0 e 0 0 0 0 0 397 0.615 19.295 0.824 1 U 1.32e+06 0 e 0 0 0 0 0 398 4.786 19.349 0.823 1 U 5.83e+05 0 e 0 0 0 0 0 399 9.019 19.348 0.826 1 U 2.76e+05 0 e 0 0 0 0 0 400 8.108 19.341 0.821 1 U 1.9e+05 0 e 0 0 0 0 0 401 3.060 19.385 0.826 1 U 2.34e+05 0 e 0 0 0 0 0 402 1.927 19.387 0.822 1 U 7.21e+05 0 e 0 0 0 0 0 403 1.771 19.387 0.825 1 U 1.78e+05 0 e 0 0 0 0 0 404 0.819 16.133 0.623 1 U 1.74e+06 0 e 0 0 0 0 0 405 1.166 16.077 0.626 1 U 5.96e+05 0 e 0 0 0 0 0 406 1.922 16.133 0.628 1 U 1.26e+06 0 e 0 0 0 0 0 407 4.800 16.100 0.627 1 U 2.47e+05 0 e 0 0 0 0 0 408 9.016 16.100 0.623 1 U 3.95e+05 0 e 0 0 0 0 0 409 8.117 16.100 0.625 1 U 1.91e+05 0 e 0 0 0 0 0 410 5.492 41.106 3.078 1 U 8.03e+05 0 e 0 0 0 0 0 411 3.070 41.012 5.498 1 U 4.82e+05 0 e 0 0 0 0 0 412 9.770 40.967 5.499 1 U 1.57e+05 0 e 0 0 0 0 0 413 8.226 41.012 5.495 1 U 1.99e+05 0 e 0 0 0 0 0 414 8.667 41.012 5.493 1 U 9.67e+04 0 e 0 0 0 0 0 415 8.858 41.012 5.496 1 U 7.6e+04 0 e 0 0 0 0 0 416 1.156 41.012 5.499 1 U 9.79e+04 0 e 0 0 0 0 0 417 0.687 41.012 5.500 1 U 8.67e+04 0 e 0 0 0 0 0 418 1.537 41.012 3.076 1 U 1.68e+05 0 e 0 0 0 0 0 419 1.167 41.012 3.076 1 U 1.31e+05 0 e 0 0 0 0 0 420 0.404 41.012 3.079 1 U 1.45e+05 0 e 0 0 0 0 0 421 9.773 41.012 3.078 1 U 1.81e+05 0 e 0 0 0 0 0 422 8.242 41.012 3.075 1 U 1.54e+05 0 e 0 0 0 0 0 423 8.675 41.012 3.077 1 U 1.01e+05 0 e 0 0 0 0 0 424 9.068 51.977 5.501 1 U 2.76e+05 0 e 0 0 0 0 0 425 8.234 51.975 5.498 1 U 1.36e+05 0 e 0 0 0 0 0 426 5.058 51.931 5.504 1 U 1.65e+05 0 e 0 0 0 0 0 427 3.272 51.961 5.500 1 U 4.24e+05 0 e 0 0 0 0 0 428 1.119 51.969 5.502 1 U 9.24e+04 0 e 0 0 0 0 0 429 1.108 30.628 3.264 1 U 1.21e+05 0 e 0 0 0 0 0 430 5.494 30.555 3.268 1 U 2.29e+05 0 e 0 0 0 0 0 431 8.228 30.575 3.269 1 U 1.1e+05 0 e 0 0 0 0 0 432 9.078 30.587 3.262 1 U 9.41e+04 0 e 0 0 0 0 0 433 9.035 36.828 1.906 1 U 8.83e+04 0 e 0 0 0 0 0 434 0.861 36.887 1.906 1 U 1.61e+05 0 e 0 0 0 0 0 435 1.009 36.800 1.907 1 U 1.52e+05 0 e 0 0 0 0 0 436 1.673 36.800 1.905 1 U 1.06e+05 0 e 0 0 0 0 0 437 1.915 15.203 1.010 1 U 6.4e+05 0 e 0 0 0 0 0 438 1.698 15.209 1.005 1 U 3.27e+05 0 e 0 0 0 0 0 439 1.241 15.243 1.006 1 U 3.63e+05 0 e 0 0 0 0 0 440 0.376 15.141 1.006 1 U 2.65e+05 0 e 0 0 0 0 0 441 0.637 15.225 1.006 1 U 1.82e+05 0 e 0 0 0 0 0 442 0.858 15.162 1.007 1 U 1.12e+06 0 e 0 0 0 0 0 443 4.509 15.100 1.005 1 U 2.6e+05 0 e 0 0 0 0 0 444 4.145 15.266 1.006 1 U 1.47e+05 0 e 0 0 0 0 0 445 7.196 15.218 1.007 1 U 2.05e+05 0 e 0 0 0 0 0 446 9.073 15.166 1.000 1 U 1.42e+05 0 e 0 0 0 0 0 448 1.697 11.065 0.853 1 U 4.94e+05 0 e 0 0 0 0 0 449 1.920 10.969 0.851 1 U 3.42e+05 0 e 0 0 0 0 0 450 1.455 10.943 0.856 1 U 2.55e+05 0 e 0 0 0 0 0 451 1.246 11.001 0.858 1 U 3.69e+05 0 e 0 0 0 0 0 452 1.005 11.031 0.854 1 U 6.62e+05 0 e 0 0 0 0 0 453 0.600 11.000 0.859 1 U 1.98e+05 0 e 0 0 0 0 0 454 0.382 11.000 0.861 1 U 2.97e+05 0 e 0 0 0 0 0 455 7.084 10.947 0.853 1 U 2.11e+05 0 e 0 0 0 0 0 456 7.222 10.985 0.853 1 U 2.31e+05 0 e 0 0 0 0 0 457 8.639 55.001 4.637 1 U 1.66e+05 0 e 0 0 0 0 0 458 4.066 55.001 4.635 1 U 4e+05 0 e 0 0 0 0 0 459 3.897 55.001 4.635 1 U 3.72e+05 0 e 0 0 0 0 0 460 8.665 62.227 3.903 1 U 1.57e+05 0 e 0 0 0 0 0 461 8.653 62.247 4.074 1 U 1.23e+05 0 e 0 0 0 0 0 462 4.633 62.207 3.899 1 U 3.43e+05 0 e 0 0 0 0 0 463 4.636 62.300 4.072 1 U 4.15e+05 0 e 0 0 0 0 0 464 4.517 62.300 3.902 1 U 1.39e+05 0 e 0 0 0 0 0 465 4.517 62.300 4.076 1 U 9.53e+04 0 e 0 0 0 0 0 466 3.899 62.220 4.070 1 U 1.75e+06 0 e 0 0 0 0 0 467 4.067 62.222 3.899 1 U 1.72e+06 0 e 0 0 0 0 0 468 1.776 62.308 4.063 1 U 1.42e+05 0 e 0 0 0 0 0 469 1.771 62.300 3.897 1 U 7.18e+04 0 e 0 0 0 0 0 470 0.796 62.300 3.897 1 U 1.6e+05 0 e 0 0 0 0 0 471 0.791 62.300 4.070 1 U 1.03e+05 0 e 0 0 0 0 0 472 8.203 58.471 3.983 1 U 2.28e+05 0 e 0 0 0 0 0 473 7.608 58.512 3.987 1 U 1.23e+05 0 e 0 0 0 0 0 474 1.766 58.564 3.985 1 U 1.91e+05 0 e 0 0 0 0 0 475 1.387 58.512 3.987 1 U 7.88e+04 0 e 0 0 0 0 0 476 1.096 58.570 3.989 1 U 1.29e+05 0 e 0 0 0 0 0 477 0.796 58.515 3.986 1 U 2.85e+05 0 e 0 0 0 0 0 478 0.800 35.792 1.768 1 U 7.58e+05 0 e 0 0 0 0 0 479 1.049 35.826 1.773 1 U 1.29e+05 0 e 0 0 0 0 0 480 1.366 35.813 1.767 1 U 1.77e+05 0 e 0 0 0 0 0 481 3.994 35.813 1.768 1 U 1.64e+05 0 e 0 0 0 0 0 482 7.621 35.813 1.768 1 U 1.27e+05 0 e 0 0 0 0 0 483 3.988 24.621 1.092 1 U 1.06e+05 0 e 0 0 0 0 0 484 7.586 24.600 1.089 1 U 9.55e+04 0 e 0 0 0 0 0 485 1.384 24.602 1.099 1 U 6.9e+05 0 e 0 0 0 0 0 486 0.804 24.583 1.090 1 U 4.11e+05 0 e 0 0 0 0 0 487 1.098 24.614 1.381 1 U 7.97e+05 0 e 0 0 0 0 0 488 0.798 24.588 1.387 1 U 4.2e+05 0 e 0 0 0 0 0 489 1.766 24.586 1.399 1 U 1.24e+05 0 e 0 0 0 0 0 490 4.002 24.600 1.394 1 U 6.97e+04 0 e 0 0 0 0 0 491 3.984 14.642 0.793 1 U 3.59e+05 0 e 0 0 0 0 0 492 1.102 14.689 0.794 1 U 4.89e+05 0 e 0 0 0 0 0 493 1.368 14.600 0.794 1 U 3.11e+05 0 e 0 0 0 0 0 494 1.760 14.600 0.797 1 U 8.74e+05 0 e 0 0 0 0 0 495 0.361 14.600 0.801 1 U 2.32e+05 0 e 0 0 0 0 0 496 7.605 14.635 0.795 1 U 2.14e+05 0 e 0 0 0 0 0 497 7.246 14.684 0.789 1 U 1.5e+05 0 e 0 0 0 0 0 498 7.034 14.676 0.787 1 U 2.03e+05 0 e 0 0 0 0 0 499 4.447 35.280 2.998 1 U 4.25e+05 0 e 0 0 0 0 0 500 7.088 35.277 2.997 1 U 4.51e+05 0 e 0 0 0 0 0 501 7.091 55.496 4.447 1 U 2.82e+05 0 e 0 0 0 0 0 502 6.840 55.735 4.445 1 U 1.2e+05 0 e 0 0 0 0 0 503 7.600 55.800 4.448 1 U 3.15e+05 0 e 0 0 0 0 0 504 7.866 55.800 4.446 1 U 1.15e+05 0 e 0 0 0 0 0 505 2.986 55.800 4.452 1 U 5.06e+05 0 e 0 0 0 0 0 506 8.075 53.056 4.363 1 U 6.34e+05 0 e 0 0 0 0 0 507 1.794 53.106 4.360 1 U 3.83e+05 0 e 0 0 0 0 0 508 4.363 28.024 1.855 1 U 2.61e+05 0 e 0 0 0 0 0 509 4.362 28.026 1.758 1 U 2.34e+05 0 e 0 0 0 0 0 510 3.211 28.031 1.761 1 U 1.57e+05 0 e 0 0 0 0 0 511 3.214 27.998 1.860 1 U 2.13e+05 0 e 0 0 0 0 0 512 8.191 28.088 1.764 1 U 1.18e+05 0 e 0 0 0 0 0 513 8.180 28.088 1.849 1 U 8.49e+04 0 e 0 0 0 0 0 514 3.201 24.583 1.767 1 U 2.77e+05 0 e 0 0 0 0 0 515 1.797 40.757 3.202 1 U 9.5e+05 0 e 0 0 0 0 0 516 1.643 40.787 3.205 1 U 9.26e+05 0 e 0 0 0 0 0 517 8.884 58.014 4.237 1 U 4.81e+05 0 e 0 0 0 0 0 518 0.352 57.990 4.234 1 U 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0 739 4.931 24.700 1.855 1 U 1.15e+05 0 e 0 0 0 0 0 740 3.044 55.001 4.468 1 U 3.69e+05 0 e 0 0 0 0 0 741 3.152 55.001 4.467 1 U 4.04e+05 0 e 0 0 0 0 0 742 7.121 55.001 4.470 1 U 2.82e+05 0 e 0 0 0 0 0 743 7.276 55.001 4.473 1 U 2.23e+05 0 e 0 0 0 0 0 744 7.542 55.001 4.470 1 U 1.46e+05 0 e 0 0 0 0 0 745 4.468 34.942 3.159 1 U 3.49e+05 0 e 0 0 0 0 0 746 4.438 34.900 3.047 1 U 2.24e+05 0 e 0 0 0 0 0 747 3.145 34.937 3.047 1 U 1.56e+06 0 e 0 0 0 0 0 748 3.050 34.935 3.157 1 U 1.78e+06 0 e 0 0 0 0 0 749 7.112 34.984 3.035 1 U 2.99e+05 0 e 0 0 0 0 0 750 7.119 34.990 3.154 1 U 2.79e+05 0 e 0 0 0 0 0 751 7.262 34.915 3.038 1 U 1.24e+05 0 e 0 0 0 0 0 752 7.259 34.900 3.159 1 U 1.27e+05 0 e 0 0 0 0 0 753 4.774 38.084 2.621 1 U 2.17e+05 0 e 0 0 0 0 0 754 4.775 38.012 2.791 1 U 1.26e+05 0 e 0 0 0 0 0 755 7.520 37.961 2.787 1 U 1.14e+05 0 e 0 0 0 0 0 756 7.521 38.012 2.625 1 U 7.69e+04 0 e 0 0 0 0 0 757 2.790 38.012 2.617 1 U 9.28e+05 0 e 0 0 0 0 0 758 2.632 38.012 2.793 1 U 8.83e+05 0 e 0 0 0 0 0 759 8.833 51.053 4.782 1 U 5.75e+05 0 e 0 0 0 0 0 760 2.619 51.090 4.782 1 U 4.67e+05 0 e 0 0 0 0 0 761 2.804 51.013 4.782 1 U 2.9e+05 0 e 0 0 0 0 0 762 8.404 52.587 4.454 1 U 2.36e+05 0 e 0 0 0 0 0 763 3.020 52.553 4.457 1 U 1.18e+05 0 e 0 0 0 0 0 764 2.095 52.600 4.447 1 U 2.6e+05 0 e 0 0 0 0 0 765 8.386 60.168 4.581 1 U 1.9e+05 0 e 0 0 0 0 0 766 7.490 60.196 4.579 1 U 1.29e+05 0 e 0 0 0 0 0 767 1.287 60.200 4.578 1 U 3.27e+05 0 e 0 0 0 0 0 768 0.818 60.200 4.582 1 U 1.72e+05 0 e 0 0 0 0 0 769 1.295 67.182 4.471 1 U 9.78e+05 0 e 0 0 0 0 0 770 8.379 18.838 1.294 1 U 5.18e+05 0 e 0 0 0 0 0 771 4.473 18.800 1.295 1 U 1.06e+06 0 e 0 0 0 0 0 772 4.560 18.800 1.295 1 U 6.77e+05 0 e 0 0 0 0 0 773 1.793 51.987 5.250 1 U 3.08e+05 0 e 0 0 0 0 0 774 1.946 51.969 5.251 1 U 3.15e+05 0 e 0 0 0 0 0 775 1.643 51.912 5.248 1 U 1.59e+05 0 e 0 0 0 0 0 776 8.659 51.912 5.248 1 U 4.31e+05 0 e 0 0 0 0 0 777 8.106 52.004 5.251 1 U 1.52e+05 0 e 0 0 0 0 0 778 7.493 51.912 5.256 1 U 1.14e+05 0 e 0 0 0 0 0 779 3.197 30.753 1.963 1 U 1.99e+05 0 e 0 0 0 0 0 780 3.197 30.676 1.812 1 U 7.95e+04 0 e 0 0 0 0 0 781 5.249 30.700 1.958 1 U 1.23e+05 0 e 0 0 0 0 0 782 1.940 30.700 1.810 1 U 1.05e+06 0 e 0 0 0 0 0 783 1.815 30.700 1.962 1 U 1.35e+06 0 e 0 0 0 0 0 784 5.263 30.700 1.811 1 U 1.22e+05 0 e 0 0 0 0 0 785 7.496 30.700 1.809 1 U 8.71e+04 0 e 0 0 0 0 0 786 8.662 30.700 1.957 1 U 1.24e+05 0 e 0 0 0 0 0 787 5.233 48.507 1.770 1 U 1.18e+05 0 e 0 0 0 0 0 788 8.641 20.171 1.170 1 U 7.36e+05 0 e 0 0 0 0 0 789 8.975 20.152 1.165 1 U 1.79e+05 0 e 0 0 0 0 0 790 9.255 20.100 1.163 1 U 1.38e+05 0 e 0 0 0 0 0 791 4.921 20.165 1.170 1 U 9.59e+05 0 e 0 0 0 0 0 792 1.840 20.183 1.170 1 U 7.14e+05 0 e 0 0 0 0 0 793 0.853 20.169 1.170 1 U 8.38e+05 0 e 0 0 0 0 0 794 0.593 20.187 1.171 1 U 1.47e+06 0 e 0 0 0 0 0 795 1.593 20.088 1.176 1 U 2.85e+05 0 e 0 0 0 0 0 796 5.492 20.100 1.171 1 U 1.62e+05 0 e 0 0 0 0 0 797 1.161 48.173 4.918 1 U 6.08e+05 0 e 0 0 0 0 0 798 8.881 35.183 1.518 1 U 8.25e+04 0 e 0 0 0 0 0 799 0.393 35.125 1.510 1 U 1.13e+05 0 e 0 0 0 0 0 800 0.579 35.125 1.508 1 U 1.89e+05 0 e 0 0 0 0 0 801 0.594 11.563 0.403 1 U 1.18e+06 0 e 0 0 0 0 0 802 1.387 11.619 0.403 1 U 4.75e+05 0 e 0 0 0 0 0 803 2.141 11.688 0.402 1 U 9.75e+04 0 e 0 0 0 0 0 804 2.296 11.528 0.397 1 U 1.63e+05 0 e 0 0 0 0 0 805 3.044 11.666 0.406 1 U 1.98e+05 0 e 0 0 0 0 0 806 4.141 11.693 0.401 1 U 1.32e+05 0 e 0 0 0 0 0 807 7.000 11.668 0.401 1 U 2.14e+05 0 e 0 0 0 0 0 808 8.905 11.664 0.404 1 U 9.48e+04 0 e 0 0 0 0 0 809 7.127 11.688 0.401 1 U 1.03e+05 0 e 0 0 0 0 0 810 7.336 11.667 0.402 1 U 1.09e+05 0 e 0 0 0 0 0 811 8.395 49.951 4.235 1 U 1.26e+05 0 e 0 0 0 0 0 812 7.183 49.915 4.246 1 U 1.27e+05 0 e 0 0 0 0 0 813 4.245 16.712 1.404 1 U 1.01e+06 0 e 0 0 0 0 0 814 8.408 16.688 1.402 1 U 6.33e+05 0 e 0 0 0 0 0 815 8.002 54.841 4.132 1 U 2.99e+05 0 e 0 0 0 0 0 816 1.847 54.882 4.132 1 U 3.3e+05 0 e 0 0 0 0 0 817 1.701 54.800 4.134 1 U 2.36e+05 0 e 0 0 0 0 0 818 8.001 28.621 1.837 1 U 1.13e+05 0 e 0 0 0 0 0 819 8.010 28.613 1.722 1 U 1.38e+05 0 e 0 0 0 0 0 820 4.135 28.600 1.840 1 U 1.49e+05 0 e 0 0 0 0 0 821 4.135 28.600 1.731 1 U 9.82e+04 0 e 0 0 0 0 0 822 1.853 28.600 1.735 1 U 2.37e+06 0 e 0 0 0 0 0 823 1.711 28.600 1.840 1 U 2.59e+06 0 e 0 0 0 0 0 824 4.458 28.872 1.514 1 U 8.6e+04 0 e 0 0 0 0 0 825 4.499 28.895 1.668 1 U 1.44e+05 0 e 0 0 0 0 0 826 1.673 28.888 1.510 1 U 3.11e+05 0 e 0 0 0 0 0 827 1.532 28.888 1.671 1 U 9.39e+05 0 e 0 0 0 0 0 828 0.845 14.757 2.059 1 U 1.63e+06 0 e 0 0 0 0 0 829 0.595 14.708 2.058 1 U 3.91e+05 0 e 0 0 0 0 0 830 1.555 14.734 2.060 1 U 3.97e+05 0 e 0 0 0 0 0 831 1.735 14.744 2.058 1 U 8.47e+05 0 e 0 0 0 0 0 832 2.456 14.733 2.058 1 U 9.26e+05 0 e 0 0 0 0 0 833 2.586 14.728 2.058 1 U 6.64e+05 0 e 0 0 0 0 0 834 6.271 14.702 2.057 1 U 4.49e+05 0 e 0 0 0 0 0 835 7.500 14.734 2.058 1 U 4.78e+05 0 e 0 0 0 0 0 836 4.312 16.313 1.421 1 U 1.09e+06 0 e 0 0 0 0 0 837 8.960 7.188 0.290 1 U 1.45e+05 0 e 0 0 0 0 0 838 7.006 7.188 0.292 1 U 1.16e+05 0 e 0 0 0 0 0 839 3.986 7.188 0.292 1 U 2.93e+05 0 e 0 0 0 0 0 840 3.016 7.188 0.294 1 U 1.5e+05 0 e 0 0 0 0 0 841 2.306 7.188 0.297 1 U 1.82e+05 0 e 0 0 0 0 0 842 1.525 7.188 0.292 1 U 3.46e+05 0 e 0 0 0 0 0 843 1.082 7.188 0.290 1 U 3.48e+05 0 e 0 0 0 0 0 844 0.690 7.188 0.292 1 U 1.01e+06 0 e 0 0 0 0 0 845 0.362 14.557 1.958 1 U 4.29e+05 0 e 0 0 0 0 0 846 0.585 14.543 1.958 1 U 4.82e+05 0 e 0 0 0 0 0 847 0.808 14.552 1.956 1 U 6.61e+05 0 e 0 0 0 0 0 848 1.530 14.545 1.958 1 U 2.98e+05 0 e 0 0 0 0 0 849 2.533 14.576 1.959 1 U 3.39e+05 0 e 0 0 0 0 0 850 2.716 14.533 1.957 1 U 2.87e+05 0 e 0 0 0 0 0 851 2.997 14.533 1.960 1 U 2.39e+05 0 e 0 0 0 0 0 852 4.500 14.536 1.960 1 U 3.66e+05 0 e 0 0 0 0 0 853 4.693 14.556 1.955 1 U 1.85e+05 0 e 0 0 0 0 0 854 6.931 14.536 1.961 1 U 1.25e+05 0 e 0 0 0 0 0 855 7.202 14.538 1.960 1 U 1.04e+05 0 e 0 0 0 0 0 856 7.984 14.487 1.955 1 U 9.01e+04 0 e 0 0 0 0 0 857 1.980 53.713 4.356 1 U 4.92e+05 0 e 0 0 0 0 0 858 1.962 53.800 4.318 1 U 4.31e+05 0 e 0 0 0 0 0 859 8.335 53.800 4.310 1 U 1.97e+05 0 e 0 0 0 0 0 860 1.421 10.935 0.798 1 U 5.82e+05 0 e 0 0 0 0 0 861 1.028 10.961 0.800 1 U 8.16e+05 0 e 0 0 0 0 0 862 1.793 11.000 0.800 1 U 2.87e+05 0 e 0 0 0 0 0 863 8.727 10.962 0.793 1 U 1.89e+05 0 e 0 0 0 0 0 864 1.010 9.822 0.852 1 U 1.37e+06 0 e 0 0 0 0 0 865 1.646 9.850 0.851 1 U 8.4e+05 0 e 0 0 0 0 0 866 1.760 9.812 0.850 1 U 5.97e+05 0 e 0 0 0 0 0 867 5.113 9.807 0.855 1 U 2.85e+05 0 e 0 0 0 0 0 868 4.894 9.789 0.846 1 U 2.37e+05 0 e 0 0 0 0 0 869 1.243 25.090 1.700 1 U 5.02e+05 0 e 0 0 0 0 0 870 1.701 25.166 1.247 1 U 4.75e+05 0 e 0 0 0 0 0 871 0.849 25.128 1.245 1 U 1.9e+05 0 e 0 0 0 0 0 872 1.008 25.183 1.241 1 U 1.33e+05 0 e 0 0 0 0 0 873 0.843 25.100 1.702 1 U 3.14e+05 0 e 0 0 0 0 0 874 1.009 25.100 1.703 1 U 2.37e+05 0 e 0 0 0 0 0 875 1.765 10.179 0.797 1 U 4.56e+05 0 e 0 0 0 0 0 876 1.376 10.178 0.802 1 U 4.97e+05 0 e 0 0 0 0 0 877 1.097 10.177 0.798 1 U 6.56e+05 0 e 0 0 0 0 0 878 1.387 25.518 0.625 1 U 3.49e+05 0 e 0 0 0 0 0 879 0.608 25.528 1.385 1 U 5.41e+05 0 e 0 0 0 0 0 880 0.402 25.524 1.383 1 U 2.78e+05 0 e 0 0 0 0 0 881 0.402 25.512 0.619 1 U 2.66e+05 0 e 0 0 0 0 0 882 4.141 25.510 0.617 1 U 8.34e+04 0 e 0 0 0 0 0 883 4.134 25.582 1.397 1 U 8.8e+04 0 e 0 0 0 0 0 884 4.802 48.184 3.515 1 U 3.3e+05 0 e 0 0 0 0 0 885 4.798 48.176 3.753 1 U 6.38e+05 0 e 0 0 0 0 0 886 3.753 48.158 3.514 1 U 8.25e+05 0 e 0 0 0 0 0 887 3.516 48.198 3.755 1 U 1.11e+06 0 e 0 0 0 0 0 888 2.367 48.188 3.512 1 U 1.13e+05 0 e 0 0 0 0 0 889 2.010 48.185 3.517 1 U 2.6e+05 0 e 0 0 0 0 0 890 1.776 48.179 3.511 1 U 1.38e+05 0 e 0 0 0 0 0 891 1.443 48.178 3.516 1 U 4.8e+05 0 e 0 0 0 0 0 892 1.443 48.221 3.759 1 U 4.51e+05 0 e 0 0 0 0 0 893 0.867 48.199 3.511 1 U 1.75e+05 0 e 0 0 0 0 0 894 0.854 48.200 3.757 1 U 1.93e+05 0 e 0 0 0 0 0 895 1.997 48.200 3.752 1 U 3.14e+05 0 e 0 0 0 0 0 896 3.513 25.079 2.035 1 U 2.35e+05 0 e 0 0 0 0 0 897 3.517 25.000 1.943 1 U 1.38e+05 0 e 0 0 0 0 0 898 3.753 24.984 1.942 1 U 2.07e+05 0 e 0 0 0 0 0 899 3.758 25.049 2.032 1 U 2.59e+05 0 e 0 0 0 0 0 900 4.390 25.001 2.034 1 U 1.14e+05 0 e 0 0 0 0 0 901 4.378 25.000 1.942 1 U 8.18e+04 0 e 0 0 0 0 0 902 2.349 25.015 1.947 1 U 2.63e+05 0 e 0 0 0 0 0 903 2.346 25.016 2.034 1 U 3.45e+05 0 e 0 0 0 0 0 904 1.781 25.026 2.033 1 U 4.5e+05 0 e 0 0 0 0 0 905 1.780 25.000 1.942 1 U 4.31e+05 0 e 0 0 0 0 0 906 2.046 25.000 1.947 1 U 1.04e+06 0 e 0 0 0 0 0 907 1.959 25.000 2.033 1 U 1.62e+06 0 e 0 0 0 0 0 908 4.388 29.462 2.352 1 U 3.64e+05 0 e 0 0 0 0 0 909 4.389 29.522 1.780 1 U 1.89e+05 0 e 0 0 0 0 0 910 2.351 29.495 1.777 1 U 8.68e+05 0 e 0 0 0 0 0 911 1.776 29.481 2.353 1 U 1.15e+06 0 e 0 0 0 0 0 912 1.947 29.586 1.779 1 U 4.08e+05 0 e 0 0 0 0 0 913 1.946 29.443 2.351 1 U 4.86e+05 0 e 0 0 0 0 0 914 2.352 60.613 4.389 1 U 4.34e+05 0 e 0 0 0 0 0 915 1.956 60.585 4.392 1 U 1.68e+05 0 e 0 0 0 0 0 916 1.776 60.560 4.388 1 U 2.29e+05 0 e 0 0 0 0 0 917 8.675 60.612 4.386 1 U 1.73e+05 0 e 0 0 0 0 0 918 3.919 43.740 4.138 1 U 1.34e+06 0 e 0 0 0 0 0 919 4.131 43.737 3.919 1 U 1.37e+06 0 e 0 0 0 0 0 920 8.381 59.405 4.149 1 U 2.89e+05 0 e 0 0 0 0 0 921 5.364 59.313 4.152 1 U 1.48e+05 0 e 0 0 0 0 0 922 0.582 59.397 4.148 1 U 3.55e+05 0 e 0 0 0 0 0 923 2.072 16.050 0.642 1 U 7.42e+05 0 e 0 0 0 0 0 924 8.383 16.151 0.642 1 U 5.56e+05 0 e 0 0 0 0 0 925 0.810 16.100 0.646 1 U 1.66e+06 0 e 0 0 0 0 0 926 2.079 18.767 0.810 1 U 7.64e+05 0 e 0 0 0 0 0 927 0.647 18.798 0.811 1 U 1.6e+06 0 e 0 0 0 0 0 928 4.515 18.795 0.812 1 U 5.71e+05 0 e 0 0 0 0 0 929 0.650 31.188 2.069 1 U 2.37e+05 0 e 0 0 0 0 0 930 0.804 31.188 2.065 1 U 2.01e+05 0 e 0 0 0 0 0 931 4.516 31.188 2.077 1 U 1.3e+05 0 e 0 0 0 0 0 932 8.631 29.918 1.775 1 U 2.93e+05 0 e 0 0 0 0 0 933 3.266 24.967 1.508 1 U 2.87e+05 0 e 0 0 0 0 0 934 3.265 24.948 1.571 1 U 3.13e+05 0 e 0 0 0 0 0 935 1.767 24.944 1.501 1 U 4.85e+05 0 e 0 0 0 0 0 936 1.780 25.000 1.573 1 U 5.41e+05 0 e 0 0 0 0 0 937 1.485 25.000 1.574 1 U 1.64e+06 0 e 0 0 0 0 0 938 1.562 25.000 1.505 1 U 1.67e+06 0 e 0 0 0 0 0 939 4.664 24.921 1.507 1 U 9.15e+04 0 e 0 0 0 0 0 940 4.665 24.964 1.573 1 U 1.07e+05 0 e 0 0 0 0 0 941 1.546 40.909 3.270 1 U 8.28e+05 0 e 0 0 0 0 0 942 1.780 40.900 3.270 1 U 7.05e+05 0 e 0 0 0 0 0 943 0.813 40.895 3.276 1 U 2.09e+05 0 e 0 0 0 0 0 944 4.669 29.939 1.774 1 U 2.74e+05 0 e 0 0 0 0 0 945 4.918 30.059 1.782 1 U 1.13e+05 0 e 0 0 0 0 0 946 3.269 29.953 1.776 1 U 3.04e+05 0 e 0 0 0 0 0 947 1.555 29.918 1.771 1 U 7.5e+05 0 e 0 0 0 0 0 948 0.812 30.045 1.790 1 U 1.23e+05 0 e 0 0 0 0 0 949 1.586 41.144 1.739 1 U 3.1e+05 0 e 0 0 0 0 0 950 1.737 41.126 1.594 1 U 3e+05 0 e 0 0 0 0 0 951 0.894 41.137 1.600 1 U 8.65e+04 0 e 0 0 0 0 0 952 0.892 41.100 1.745 1 U 7.03e+04 0 e 0 0 0 0 0 953 8.401 53.357 4.644 1 U 6.99e+05 0 e 0 0 0 0 0 954 3.085 53.372 4.636 1 U 4.4e+05 0 e 0 0 0 0 0 956 1.590 23.508 0.954 1 U 1.54e+05 0 e 0 0 0 0 0 957 1.744 23.535 0.951 1 U 2.54e+05 0 e 0 0 0 0 0 958 1.573 39.896 1.805 1 U 1.15e+05 0 e 0 0 0 0 0 959 1.800 39.969 1.567 1 U 1.57e+05 0 e 0 0 0 0 0 960 4.201 29.921 1.900 1 U 1.54e+05 0 e 0 0 0 0 0 961 3.262 27.412 1.839 1 U 2.05e+05 0 e 0 0 0 0 0 962 3.264 27.479 1.943 1 U 1.83e+05 0 e 0 0 0 0 0 963 7.984 27.488 1.845 1 U 1.06e+05 0 e 0 0 0 0 0 964 4.105 27.488 1.839 1 U 2.31e+05 0 e 0 0 0 0 0 965 4.105 27.488 1.943 1 U 1.74e+05 0 e 0 0 0 0 0 966 7.989 27.488 1.941 1 U 1.23e+05 0 e 0 0 0 0 0 967 7.973 55.188 4.107 1 U 2.03e+05 0 e 0 0 0 0 0 968 1.000 55.188 4.110 1 U 1.34e+05 0 e 0 0 0 0 0 969 0.848 55.188 4.105 1 U 1.61e+05 0 e 0 0 0 0 0 970 1.694 55.188 4.116 1 U 3.42e+05 0 e 0 0 0 0 0 971 1.841 55.188 4.117 1 U 3.18e+05 0 e 0 0 0 0 0 972 1.932 55.188 4.108 1 U 3.13e+05 0 e 0 0 0 0 0 973 1.701 40.677 3.265 1 U 1.15e+06 0 e 0 0 0 0 0 974 0.383 14.177 0.570 1 U 6.76e+05 0 e 0 0 0 0 0 975 1.502 14.184 0.572 1 U 3.72e+05 0 e 0 0 0 0 0 976 4.152 14.212 0.567 1 U 2.51e+05 0 e 0 0 0 0 0 977 8.390 14.139 0.580 1 U 1.79e+05 0 e 0 0 0 0 0 978 0.587 23.549 0.938 1 U 2.21e+05 0 e 0 0 0 0 0 979 1.001 14.559 1.953 1 U 2.05e+05 0 e 0 0 0 0 0 980 2.103 14.537 1.959 1 U 1.69e+06 0 e 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . aliased 7200 Hz . . . 4.85 . . 31199 1 2 . . C 13 C . aliased 24 ppm . . . 43 . . 31199 1 3 . . H 1 H . aliased 7200 Hz . . . 4.95 . . 31199 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 31199 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _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 # Number of peaks 519 #FORMAT cyana3D #INAME 1 N #INAME 2 h #INAME 3 H #CYANAFORMAT NhH 1 127.739 4.465 8.413 1 U 4.27e+07 0 e 0 0 0 0 0 2 127.764 4.228 8.414 1 U 1.02e+07 0 e 0 0 0 0 0 3 127.746 1.534 8.412 1 U 1.28e+07 0 e 0 0 0 0 0 4 127.761 1.404 8.413 1 U 3.43e+07 0 e 0 0 0 0 0 5 120.810 7.931 8.381 1 U 1.08e+07 0 e 0 0 0 0 0 6 120.817 5.368 8.379 1 U 1.03e+07 0 e 0 0 0 0 0 7 120.814 4.517 8.379 1 U 1.02e+07 0 e 0 0 0 0 0 8 120.796 4.327 8.391 1 U 3.69e+07 0 e 0 0 0 0 0 9 120.854 4.147 8.380 1 U 3.93e+07 0 e 0 0 0 0 0 10 120.799 2.072 8.377 1 U 9.19e+06 0 e 0 0 0 0 0 11 120.785 1.808 8.389 1 U 1.75e+07 0 e 0 0 0 0 0 12 120.808 1.420 8.391 1 U 1.49e+07 0 e 0 0 0 0 0 13 120.847 0.808 8.378 1 U 7.82e+06 0 e 0 0 0 0 0 14 120.830 0.633 8.379 1 U 3.35e+07 0 e 0 0 0 0 0 15 121.136 4.287 8.559 1 U 5.86e+07 0 e 0 0 0 0 0 16 121.149 2.297 8.560 1 U 1.5e+07 0 e 0 0 0 0 0 17 121.112 2.120 8.562 1 U 1.37e+07 0 e 0 0 0 0 0 18 121.124 1.969 8.561 1 U 2.96e+07 0 e 0 0 0 0 0 19 121.120 1.823 8.560 1 U 1.5e+07 0 e 0 0 0 0 0 20 121.118 1.430 8.556 1 U 8.72e+06 0 e 0 0 0 0 0 21 112.475 7.831 8.339 1 U 3.69e+07 0 e 0 0 0 0 0 22 112.485 7.202 8.338 1 U 5.2e+07 0 e 0 0 0 0 0 23 112.480 4.692 8.339 1 U 1.97e+07 0 e 0 0 0 0 0 24 112.481 4.212 8.338 1 U 1.36e+08 0 e 0 0 0 0 0 25 112.477 3.148 8.338 1 U 1.21e+07 0 e 0 0 0 0 0 26 112.490 2.892 8.337 1 U 1.17e+07 0 e 0 0 0 0 0 27 112.510 2.537 8.342 1 U 6.86e+06 0 e 0 0 0 0 0 28 112.611 1.734 8.340 1 U 5.92e+06 0 e 0 0 0 0 0 29 112.502 1.544 8.339 1 U 1.21e+07 0 e 0 0 0 0 0 30 112.420 1.255 8.341 1 U 5.89e+06 0 e 0 0 0 0 0 31 112.736 8.364 7.894 1 U 2.17e+07 0 e 0 0 0 0 0 32 112.694 8.770 7.891 1 U 5.8e+06 0 e 0 0 0 0 0 33 112.730 4.686 7.896 1 U 8.99e+07 0 e 0 0 0 0 0 34 112.781 4.387 7.895 1 U 7.2e+06 0 e 0 0 0 0 0 35 112.726 4.083 7.895 1 U 3.19e+07 0 e 0 0 0 0 0 36 112.745 2.747 7.897 1 U 1.42e+07 0 e 0 0 0 0 0 37 112.800 2.119 7.899 1 U 5.51e+06 0 e 0 0 0 0 0 38 112.714 1.139 7.896 1 U 2.56e+07 0 e 0 0 0 0 0 39 122.364 9.190 8.777 1 U 2e+07 0 e 0 0 0 0 0 40 122.311 8.559 8.777 1 U 1.31e+07 0 e 0 0 0 0 0 41 122.263 5.326 8.782 1 U 6.58e+06 0 e 0 0 0 0 0 42 122.299 4.937 8.780 1 U 8.87e+06 0 e 0 0 0 0 0 43 122.355 4.636 8.779 1 U 9.99e+07 0 e 0 0 0 0 0 44 122.374 4.431 8.777 1 U 1.8e+07 0 e 0 0 0 0 0 45 122.359 4.082 8.778 1 U 3.46e+07 0 e 0 0 0 0 0 46 122.352 1.779 8.779 1 U 2.93e+07 0 e 0 0 0 0 0 47 122.341 1.589 8.779 1 U 6.71e+06 0 e 0 0 0 0 0 48 122.352 1.424 8.779 1 U 1.54e+07 0 e 0 0 0 0 0 49 122.359 1.139 8.778 1 U 2.38e+07 0 e 0 0 0 0 0 50 122.380 1.038 8.775 1 U 1.63e+07 0 e 0 0 0 0 0 51 122.330 0.857 8.779 1 U 1.57e+07 0 e 0 0 0 0 0 52 123.148 5.590 8.526 1 U 2.54e+07 0 e 0 0 0 0 0 53 123.137 4.432 8.525 1 U 1.26e+08 0 e 0 0 0 0 0 54 123.112 2.445 8.524 1 U 1.62e+07 0 e 0 0 0 0 0 55 123.129 2.148 8.520 1 U 1.1e+07 0 e 0 0 0 0 0 56 123.142 1.935 8.526 1 U 4.27e+07 0 e 0 0 0 0 0 57 123.129 1.801 8.523 1 U 4e+07 0 e 0 0 0 0 0 58 123.080 1.045 8.526 1 U 7.69e+06 0 e 0 0 0 0 0 59 123.130 0.873 8.522 1 U 2.28e+07 0 e 0 0 0 0 0 60 123.121 1.428 8.527 1 U 5.69e+06 0 e 0 0 0 0 0 61 121.392 0.565 8.899 1 U 1.98e+07 0 e 0 0 0 0 0 62 121.367 0.831 8.899 1 U 6.26e+06 0 e 0 0 0 0 0 63 121.400 1.056 8.899 1 U 1.06e+07 0 e 0 0 0 0 0 64 121.423 2.153 8.898 1 U 1.26e+07 0 e 0 0 0 0 0 65 121.249 2.454 8.901 1 U 1.01e+07 0 e 0 0 0 0 0 66 121.300 1.752 8.898 1 U 9.93e+06 0 e 0 0 0 0 0 67 121.300 1.810 8.900 1 U 1.43e+07 0 e 0 0 0 0 0 68 121.409 5.329 8.903 1 U 9.34e+06 0 e 0 0 0 0 0 69 121.383 5.594 8.899 1 U 8.47e+07 0 e 0 0 0 0 0 70 121.411 9.234 8.900 1 U 1.97e+07 0 e 0 0 0 0 0 71 119.830 4.770 8.981 1 U 9.66e+07 0 e 0 0 0 0 0 72 119.800 5.129 8.981 1 U 3.24e+07 0 e 0 0 0 0 0 73 119.850 2.589 8.979 1 U 7.78e+06 0 e 0 0 0 0 0 74 119.836 2.419 8.981 1 U 3.69e+07 0 e 0 0 0 0 0 75 119.822 2.165 8.981 1 U 4.24e+07 0 e 0 0 0 0 0 76 119.830 1.995 8.981 1 U 4.6e+07 0 e 0 0 0 0 0 77 119.808 1.747 8.983 1 U 1.6e+07 0 e 0 0 0 0 0 78 106.146 8.678 8.871 1 U 2.59e+07 0 e 0 0 0 0 0 79 106.148 5.130 8.870 1 U 8.12e+07 0 e 0 0 0 0 0 80 106.114 4.805 8.872 1 U 1.24e+07 0 e 0 0 0 0 0 81 106.110 3.339 8.871 1 U 1.8e+07 0 e 0 0 0 0 0 82 106.092 2.428 8.870 1 U 5.91e+06 0 e 0 0 0 0 0 83 106.164 2.200 8.870 1 U 1.87e+07 0 e 0 0 0 0 0 84 106.224 1.987 8.869 1 U 1.17e+07 0 e 0 0 0 0 0 85 106.171 0.579 8.871 1 U 9.62e+06 0 e 0 0 0 0 0 86 106.175 0.351 8.871 1 U 1.53e+07 0 e 0 0 0 0 0 87 120.254 9.161 8.681 1 U 2.35e+07 0 e 0 0 0 0 0 88 120.251 5.278 8.679 1 U 2.28e+07 0 e 0 0 0 0 0 89 120.246 3.341 8.681 1 U 4.5e+07 0 e 0 0 0 0 0 90 120.247 1.865 8.682 1 U 5.33e+07 0 e 0 0 0 0 0 91 120.248 1.992 8.679 1 U 1.41e+07 0 e 0 0 0 0 0 92 120.263 0.502 8.681 1 U 2.98e+07 0 e 0 0 0 0 0 93 124.023 8.096 8.965 1 U 6.45e+06 0 e 0 0 0 0 0 94 124.061 5.278 8.962 1 U 7.95e+07 0 e 0 0 0 0 0 95 124.057 5.104 8.963 1 U 1.11e+07 0 e 0 0 0 0 0 96 124.050 3.992 8.963 1 U 1.63e+07 0 e 0 0 0 0 0 97 124.056 2.370 8.962 1 U 4.05e+07 0 e 0 0 0 0 0 98 124.053 2.014 8.962 1 U 2.32e+07 0 e 0 0 0 0 0 99 124.030 1.875 8.964 1 U 1.38e+07 0 e 0 0 0 0 0 100 124.068 1.532 8.963 1 U 4.41e+07 0 e 0 0 0 0 0 101 124.058 1.087 8.962 1 U 2.1e+07 0 e 0 0 0 0 0 102 124.037 0.708 8.962 1 U 1.18e+07 0 e 0 0 0 0 0 103 124.052 0.326 8.962 1 U 1.65e+07 0 e 0 0 0 0 0 104 129.095 7.401 9.598 1 U 3.13e+07 0 e 0 0 0 0 0 105 129.077 4.658 9.599 1 U 2.25e+07 0 e 0 0 0 0 0 106 129.102 3.995 9.598 1 U 4.94e+07 0 e 0 0 0 0 0 107 129.094 1.738 9.598 1 U 2.79e+07 0 e 0 0 0 0 0 108 129.071 1.603 9.599 1 U 2.01e+07 0 e 0 0 0 0 0 109 129.080 0.709 9.597 1 U 1.53e+07 0 e 0 0 0 0 0 110 129.128 0.299 9.602 1 U 8.16e+06 0 e 0 0 0 0 0 111 114.462 9.601 7.402 1 U 5.52e+07 0 e 0 0 0 0 0 112 114.484 8.699 7.402 1 U 2.45e+07 0 e 0 0 0 0 0 113 114.501 5.155 7.404 1 U 5.57e+06 0 e 0 0 0 0 0 114 114.464 4.718 7.402 1 U 3.46e+07 0 e 0 0 0 0 0 115 114.433 3.997 7.403 1 U 1.34e+07 0 e 0 0 0 0 0 116 114.461 2.245 7.404 1 U 1.3e+07 0 e 0 0 0 0 0 117 114.475 1.926 7.402 1 U 1.92e+07 0 e 0 0 0 0 0 118 114.471 1.749 7.401 1 U 6.56e+07 0 e 0 0 0 0 0 119 114.465 1.604 7.402 1 U 3.15e+07 0 e 0 0 0 0 0 120 114.477 0.719 7.402 1 U 3.66e+07 0 e 0 0 0 0 0 121 120.320 7.398 9.144 1 U 6.84e+06 0 e 0 0 0 0 0 122 120.318 4.728 9.144 1 U 1.25e+08 0 e 0 0 0 0 0 123 120.340 4.396 9.146 1 U 2.05e+07 0 e 0 0 0 0 0 124 120.303 4.240 9.144 1 U 3.91e+07 0 e 0 0 0 0 0 125 120.321 2.247 9.143 1 U 2.35e+07 0 e 0 0 0 0 0 126 120.333 1.971 9.145 1 U 2.02e+07 0 e 0 0 0 0 0 127 120.309 1.755 9.146 1 U 1.13e+07 0 e 0 0 0 0 0 128 120.318 1.276 9.144 1 U 2.01e+07 0 e 0 0 0 0 0 129 120.269 0.720 9.145 1 U 6.81e+06 0 e 0 0 0 0 0 130 127.749 6.990 8.119 1 U 7.08e+06 0 e 0 0 0 0 0 131 127.894 5.156 8.126 1 U 1.75e+07 0 e 0 0 0 0 0 132 127.881 4.802 8.122 1 U 1.51e+07 0 e 0 0 0 0 0 133 127.856 4.396 8.127 1 U 6.44e+07 0 e 0 0 0 0 0 134 127.896 4.253 8.126 1 U 1.14e+07 0 e 0 0 0 0 0 135 127.860 1.431 8.127 1 U 4.69e+07 0 e 0 0 0 0 0 136 127.940 1.277 8.124 1 U 1.31e+07 0 e 0 0 0 0 0 137 127.748 0.861 8.129 1 U 8.81e+06 0 e 0 0 0 0 0 138 127.870 0.752 8.128 1 U 8.06e+06 0 e 0 0 0 0 0 139 118.540 6.427 8.578 1 U 1.65e+07 0 e 0 0 0 0 0 140 118.485 4.363 8.579 1 U 2.22e+07 0 e 0 0 0 0 0 141 118.492 3.861 8.582 1 U 5.34e+07 0 e 0 0 0 0 0 142 107.726 8.581 6.426 1 U 1.88e+07 0 e 0 0 0 0 0 143 107.699 5.057 6.427 1 U 1.44e+07 0 e 0 0 0 0 0 144 107.775 3.866 6.428 1 U 2.91e+07 0 e 0 0 0 0 0 145 107.800 3.931 6.427 1 U 1.91e+07 0 e 0 0 0 0 0 146 107.766 1.444 6.430 1 U 1.31e+07 0 e 0 0 0 0 0 147 107.715 1.134 6.426 1 U 1.22e+07 0 e 0 0 0 0 0 148 117.499 9.784 8.875 1 U 1.41e+07 0 e 0 0 0 0 0 149 117.518 7.006 8.872 1 U 2.19e+07 0 e 0 0 0 0 0 150 117.538 5.060 8.872 1 U 4.95e+07 0 e 0 0 0 0 0 151 117.600 5.145 8.875 1 U 1.09e+07 0 e 0 0 0 0 0 152 117.534 3.943 8.871 1 U 2.88e+07 0 e 0 0 0 0 0 153 117.497 3.021 8.868 1 U 6.71e+06 0 e 0 0 0 0 0 154 117.547 2.289 8.873 1 U 1.6e+07 0 e 0 0 0 0 0 155 117.529 1.138 8.871 1 U 2.3e+07 0 e 0 0 0 0 0 156 117.535 0.697 8.878 1 U 5.31e+06 0 e 0 0 0 0 0 157 117.409 0.870 8.869 1 U 5.56e+06 0 e 0 0 0 0 0 158 122.866 7.399 8.695 1 U 1.64e+07 0 e 0 0 0 0 0 159 122.801 6.999 8.698 1 U 6.48e+06 0 e 0 0 0 0 0 160 122.868 5.153 8.695 1 U 4.44e+07 0 e 0 0 0 0 0 161 122.911 4.962 8.697 1 U 1.17e+07 0 e 0 0 0 0 0 162 122.891 3.011 8.695 1 U 1.32e+07 0 e 0 0 0 0 0 163 122.874 2.276 8.698 1 U 1.01e+07 0 e 0 0 0 0 0 164 122.890 1.756 8.695 1 U 3.45e+07 0 e 0 0 0 0 0 165 122.805 1.438 8.696 1 U 8.32e+06 0 e 0 0 0 0 0 166 122.920 0.741 8.690 1 U 1.21e+07 0 e 0 0 0 0 0 167 128.014 9.017 9.488 1 U 1.92e+07 0 e 0 0 0 0 0 168 127.927 5.207 9.490 1 U 7.57e+06 0 e 0 0 0 0 0 169 128.017 4.971 9.489 1 U 7.31e+07 0 e 0 0 0 0 0 170 128.050 4.645 9.490 1 U 1.15e+07 0 e 0 0 0 0 0 171 128.041 1.916 9.488 1 U 3.13e+07 0 e 0 0 0 0 0 172 128.041 1.756 9.490 1 U 1.56e+07 0 e 0 0 0 0 0 173 128.054 1.452 9.491 1 U 6.74e+06 0 e 0 0 0 0 0 174 128.003 1.327 9.495 1 U 7.69e+06 0 e 0 0 0 0 0 175 128.045 0.809 9.489 1 U 1.28e+07 0 e 0 0 0 0 0 176 128.001 0.675 9.490 1 U 2.6e+07 0 e 0 0 0 0 0 177 128.039 0.499 9.487 1 U 9.84e+06 0 e 0 0 0 0 0 178 127.292 8.674 9.155 1 U 1.34e+07 0 e 0 0 0 0 0 179 127.304 4.644 9.155 1 U 5.13e+07 0 e 0 0 0 0 0 180 127.320 1.912 9.156 1 U 2.28e+07 0 e 0 0 0 0 0 181 127.268 1.728 9.156 1 U 1.51e+07 0 e 0 0 0 0 0 182 127.311 1.590 9.157 1 U 1.71e+07 0 e 0 0 0 0 0 183 127.307 0.886 9.155 1 U 6.83e+06 0 e 0 0 0 0 0 184 127.307 0.504 9.156 1 U 1.98e+07 0 e 0 0 0 0 0 185 128.985 8.312 9.409 1 U 6.47e+06 0 e 0 0 0 0 0 186 129.035 5.116 9.403 1 U 1.12e+07 0 e 0 0 0 0 0 187 129.025 4.878 9.404 1 U 4.67e+07 0 e 0 0 0 0 0 188 129.055 4.241 9.408 1 U 5.8e+06 0 e 0 0 0 0 0 189 129.020 2.529 9.404 1 U 2.59e+07 0 e 0 0 0 0 0 190 129.004 1.754 9.403 1 U 4.48e+07 0 e 0 0 0 0 0 191 129.020 1.544 9.404 1 U 2.22e+07 0 e 0 0 0 0 0 192 129.078 1.262 9.407 1 U 9.56e+06 0 e 0 0 0 0 0 193 128.989 0.936 9.401 1 U 1.28e+07 0 e 0 0 0 0 0 194 129.022 0.829 9.407 1 U 7.21e+06 0 e 0 0 0 0 0 195 128.989 0.590 9.400 1 U 1.35e+07 0 e 0 0 0 0 0 196 118.328 7.203 8.312 1 U 1.58e+07 0 e 0 0 0 0 0 197 118.335 4.845 8.312 1 U 2.64e+07 0 e 0 0 0 0 0 198 118.340 4.261 8.310 1 U 3.55e+07 0 e 0 0 0 0 0 199 118.325 3.343 8.308 1 U 8.26e+06 0 e 0 0 0 0 0 200 118.332 2.526 8.310 1 U 1.64e+07 0 e 0 0 0 0 0 201 118.348 2.151 8.311 1 U 4e+07 0 e 0 0 0 0 0 202 118.369 2.429 8.311 1 U 3.33e+07 0 e 0 0 0 0 0 203 118.400 2.256 8.310 1 U 2.04e+07 0 e 0 0 0 0 0 204 118.388 1.749 8.311 1 U 7.87e+06 0 e 0 0 0 0 0 205 118.363 1.547 8.311 1 U 3.25e+07 0 e 0 0 0 0 0 206 118.347 0.936 8.310 1 U 6.93e+06 0 e 0 0 0 0 0 207 118.376 0.585 8.310 1 U 1.72e+07 0 e 0 0 0 0 0 208 115.901 8.332 7.202 1 U 3.99e+07 0 e 0 0 0 0 0 209 115.814 7.820 7.200 1 U 5.6e+06 0 e 0 0 0 0 0 210 115.890 4.691 7.200 1 U 1.55e+07 0 e 0 0 0 0 0 211 115.863 4.847 7.205 1 U 5.53e+06 0 e 0 0 0 0 0 212 115.923 4.253 7.202 1 U 1.32e+07 0 e 0 0 0 0 0 213 115.934 3.229 7.209 1 U 6.44e+06 0 e 0 0 0 0 0 214 115.881 2.678 7.204 1 U 1.43e+07 0 e 0 0 0 0 0 215 115.938 2.522 7.201 1 U 1.31e+07 0 e 0 0 0 0 0 216 115.823 2.272 7.210 1 U 5.78e+06 0 e 0 0 0 0 0 217 115.908 2.162 7.205 1 U 7.47e+06 0 e 0 0 0 0 0 218 115.813 2.050 7.203 1 U 6.38e+06 0 e 0 0 0 0 0 219 115.922 1.549 7.199 1 U 1.5e+07 0 e 0 0 0 0 0 220 115.900 2.452 7.200 1 U 7.48e+06 0 e 0 0 0 0 0 221 119.122 9.405 7.827 1 U 8.43e+06 0 e 0 0 0 0 0 222 119.106 8.336 7.827 1 U 3.67e+07 0 e 0 0 0 0 0 223 119.100 6.888 7.826 1 U 1.28e+07 0 e 0 0 0 0 0 224 119.080 7.082 7.838 1 U 1.23e+07 0 e 0 0 0 0 0 225 119.087 4.847 7.838 1 U 3.38e+07 0 e 0 0 0 0 0 226 119.106 4.646 7.828 1 U 2.66e+07 0 e 0 0 0 0 0 227 119.100 4.443 7.838 1 U 2.01e+07 0 e 0 0 0 0 0 228 119.100 4.551 7.840 1 U 1.98e+07 0 e 0 0 0 0 0 229 119.087 4.215 7.826 1 U 1.99e+07 0 e 0 0 0 0 0 230 119.098 3.155 7.827 1 U 5.93e+07 0 e 0 0 0 0 0 231 119.090 3.009 7.838 1 U 4.2e+07 0 e 0 0 0 0 0 232 119.096 2.529 7.827 1 U 2.11e+07 0 e 0 0 0 0 0 233 119.081 1.749 7.828 1 U 8.46e+06 0 e 0 0 0 0 0 234 119.118 1.526 7.820 1 U 1e+07 0 e 0 0 0 0 0 235 119.102 0.940 7.827 1 U 1.05e+07 0 e 0 0 0 0 0 236 119.061 0.829 7.833 1 U 6.96e+06 0 e 0 0 0 0 0 237 123.626 5.127 8.386 1 U 1.58e+07 0 e 0 0 0 0 0 238 123.636 4.642 8.389 1 U 8.58e+07 0 e 0 0 0 0 0 239 123.598 3.074 8.388 1 U 1.68e+07 0 e 0 0 0 0 0 240 123.626 1.767 8.389 1 U 5.42e+07 0 e 0 0 0 0 0 241 123.632 1.657 8.388 1 U 2.05e+07 0 e 0 0 0 0 0 242 123.634 1.029 8.391 1 U 1.32e+07 0 e 0 0 0 0 0 243 123.616 0.821 8.388 1 U 1.81e+07 0 e 0 0 0 0 0 244 119.700 9.490 9.021 1 U 1.16e+07 0 e 0 0 0 0 0 245 119.638 9.497 9.018 1 U 1.5e+07 0 e 0 0 0 0 0 246 119.654 5.123 9.017 1 U 7.8e+07 0 e 0 0 0 0 0 247 119.700 1.927 9.014 1 U 1.43e+07 0 e 0 0 0 0 0 248 119.700 1.763 9.014 1 U 1.03e+07 0 e 0 0 0 0 0 249 119.657 0.811 9.017 1 U 4.39e+07 0 e 0 0 0 0 0 250 119.666 0.620 9.017 1 U 4.05e+07 0 e 0 0 0 0 0 251 122.260 5.238 8.103 1 U 3.75e+07 0 e 0 0 0 0 0 252 122.281 4.799 8.104 1 U 7.46e+07 0 e 0 0 0 0 0 253 122.282 1.931 8.103 1 U 6.34e+07 0 e 0 0 0 0 0 254 122.281 1.806 8.102 1 U 3.66e+07 0 e 0 0 0 0 0 255 122.267 1.705 8.104 1 U 1.94e+07 0 e 0 0 0 0 0 256 122.278 1.575 8.104 1 U 2.44e+07 0 e 0 0 0 0 0 257 122.239 0.946 8.102 1 U 7.59e+06 0 e 0 0 0 0 0 258 122.280 0.831 8.103 1 U 2.01e+07 0 e 0 0 0 0 0 259 122.279 0.623 8.104 1 U 1.54e+07 0 e 0 0 0 0 0 260 111.526 8.874 9.782 1 U 1.12e+07 0 e 0 0 0 0 0 261 111.564 5.497 9.783 1 U 1.28e+07 0 e 0 0 0 0 0 262 111.502 5.217 9.780 1 U 6.2e+07 0 e 0 0 0 0 0 263 111.524 4.985 9.778 1 U 7.51e+06 0 e 0 0 0 0 0 264 111.506 3.068 9.779 1 U 2.08e+07 0 e 0 0 0 0 0 265 111.477 1.789 9.783 1 U 5.18e+06 0 e 0 0 0 0 0 266 111.591 1.577 9.778 1 U 5.51e+06 0 e 0 0 0 0 0 267 111.446 1.139 9.781 1 U 7.65e+06 0 e 0 0 0 0 0 268 111.578 0.893 9.787 1 U 5.2e+06 0 e 0 0 0 0 0 269 111.516 0.686 9.778 1 U 1.01e+07 0 e 0 0 0 0 0 270 118.269 9.785 8.225 1 U 5.94e+06 0 e 0 0 0 0 0 271 118.263 8.889 8.233 1 U 7.95e+06 0 e 0 0 0 0 0 272 118.272 6.998 8.231 1 U 9.93e+06 0 e 0 0 0 0 0 273 118.281 5.496 8.230 1 U 6.28e+07 0 e 0 0 0 0 0 274 118.266 4.670 8.230 1 U 2.37e+07 0 e 0 0 0 0 0 275 118.280 3.270 8.229 1 U 2.37e+07 0 e 0 0 0 0 0 276 118.294 3.072 8.230 1 U 2.98e+07 0 e 0 0 0 0 0 277 118.303 1.791 8.226 1 U 5.71e+06 0 e 0 0 0 0 0 278 118.299 1.529 8.233 1 U 7.13e+06 0 e 0 0 0 0 0 279 118.243 1.388 8.230 1 U 8.63e+06 0 e 0 0 0 0 0 280 118.252 1.177 8.233 1 U 7.66e+06 0 e 0 0 0 0 0 281 118.236 0.397 8.235 1 U 7.95e+06 0 e 0 0 0 0 0 282 121.109 5.498 9.066 1 U 3.09e+07 0 e 0 0 0 0 0 283 121.121 4.533 9.064 1 U 5.48e+06 0 e 0 0 0 0 0 284 121.087 3.268 9.067 1 U 2.22e+07 0 e 0 0 0 0 0 285 121.125 1.908 9.069 1 U 1.69e+07 0 e 0 0 0 0 0 286 121.092 1.701 9.070 1 U 1.17e+07 0 e 0 0 0 0 0 287 121.125 1.246 9.067 1 U 1.16e+07 0 e 0 0 0 0 0 288 121.124 1.000 9.067 1 U 8.53e+06 0 e 0 0 0 0 0 289 121.149 3.903 8.671 1 U 1.57e+07 0 e 0 0 0 0 0 290 121.199 4.066 8.671 1 U 9.65e+06 0 e 0 0 0 0 0 291 121.139 4.528 8.666 1 U 4.83e+07 0 e 0 0 0 0 0 292 121.200 4.631 8.668 1 U 1.24e+07 0 e 0 0 0 0 0 293 121.166 1.013 8.674 1 U 1.01e+07 0 e 0 0 0 0 0 294 121.200 1.508 8.671 1 U 7.78e+06 0 e 0 0 0 0 0 295 121.200 1.890 8.671 1 U 1.11e+07 0 e 0 0 0 0 0 296 118.119 4.470 8.045 1 U 1.02e+07 0 e 0 0 0 0 0 297 118.123 4.216 8.049 1 U 1.23e+07 0 e 0 0 0 0 0 298 118.101 2.536 8.048 1 U 7.63e+06 0 e 0 0 0 0 0 299 118.099 2.166 8.047 1 U 1.78e+07 0 e 0 0 0 0 0 300 118.100 1.892 8.052 1 U 1.08e+07 0 e 0 0 0 0 0 301 119.867 4.473 7.983 1 U 1.81e+07 0 e 0 0 0 0 0 302 119.864 4.111 7.986 1 U 1.78e+07 0 e 0 0 0 0 0 303 119.848 1.927 7.983 1 U 1.82e+07 0 e 0 0 0 0 0 304 119.900 1.837 7.983 1 U 2.38e+07 0 e 0 0 0 0 0 305 119.823 1.691 7.982 1 U 1.85e+07 0 e 0 0 0 0 0 306 119.906 2.144 7.989 1 U 5.52e+06 0 e 0 0 0 0 0 307 116.986 4.328 7.978 1 U 1.37e+07 0 e 0 0 0 0 0 308 116.996 4.118 7.981 1 U 1.29e+07 0 e 0 0 0 0 0 309 116.969 2.477 7.984 1 U 7.92e+06 0 e 0 0 0 0 0 310 116.959 1.975 7.980 1 U 2.8e+07 0 e 0 0 0 0 0 311 121.639 8.197 7.609 1 U 1.01e+07 0 e 0 0 0 0 0 312 121.589 7.107 7.616 1 U 8.39e+06 0 e 0 0 0 0 0 313 121.586 4.447 7.611 1 U 4.2e+07 0 e 0 0 0 0 0 314 121.570 3.987 7.611 1 U 2.18e+07 0 e 0 0 0 0 0 315 121.589 3.000 7.609 1 U 1.26e+07 0 e 0 0 0 0 0 316 121.586 1.772 7.611 1 U 3.05e+07 0 e 0 0 0 0 0 317 121.554 1.379 7.611 1 U 1.02e+07 0 e 0 0 0 0 0 318 121.605 1.102 7.613 1 U 1.47e+07 0 e 0 0 0 0 0 319 121.594 0.794 7.610 1 U 1.92e+07 0 e 0 0 0 0 0 320 123.728 7.618 8.203 1 U 1.06e+07 0 e 0 0 0 0 0 321 123.715 4.364 8.200 1 U 1.72e+07 0 e 0 0 0 0 0 322 123.713 3.985 8.199 1 U 5.28e+07 0 e 0 0 0 0 0 323 123.710 1.768 8.198 1 U 3.28e+07 0 e 0 0 0 0 0 324 123.700 1.848 8.200 1 U 1.79e+07 0 e 0 0 0 0 0 325 123.725 1.653 8.199 1 U 9.04e+06 0 e 0 0 0 0 0 326 123.745 0.798 8.199 1 U 1.4e+07 0 e 0 0 0 0 0 327 124.797 4.363 8.075 1 U 7.26e+07 0 e 0 0 0 0 0 328 124.796 4.232 8.073 1 U 1.91e+07 0 e 0 0 0 0 0 329 124.772 1.633 8.075 1 U 4.02e+07 0 e 0 0 0 0 0 330 124.809 1.312 8.074 1 U 1.59e+07 0 e 0 0 0 0 0 331 124.808 0.816 8.073 1 U 1.38e+07 0 e 0 0 0 0 0 332 124.794 0.362 8.072 1 U 1.27e+07 0 e 0 0 0 0 0 333 123.146 8.085 8.881 1 U 9.83e+06 0 e 0 0 0 0 0 334 123.169 5.046 8.879 1 U 1.89e+07 0 e 0 0 0 0 0 335 123.164 4.234 8.880 1 U 1.27e+08 0 e 0 0 0 0 0 336 123.121 3.852 8.883 1 U 1.57e+07 0 e 0 0 0 0 0 337 123.150 3.553 8.881 1 U 3.47e+07 0 e 0 0 0 0 0 338 123.164 2.736 8.881 1 U 1.36e+07 0 e 0 0 0 0 0 339 123.128 2.445 8.880 1 U 8.69e+06 0 e 0 0 0 0 0 340 123.147 1.627 8.880 1 U 1.1e+07 0 e 0 0 0 0 0 341 123.176 0.353 8.880 1 U 4.08e+07 0 e 0 0 0 0 0 342 123.060 0.816 8.883 1 U 6.57e+06 0 e 0 0 0 0 0 343 123.168 1.296 8.884 1 U 4.99e+06 0 e 0 0 0 0 0 344 114.912 8.080 9.355 1 U 2.5e+07 0 e 0 0 0 0 0 345 114.903 4.508 9.355 1 U 2.87e+07 0 e 0 0 0 0 0 346 114.909 3.803 9.354 1 U 4.11e+07 0 e 0 0 0 0 0 347 114.910 3.938 9.355 1 U 9.11e+07 0 e 0 0 0 0 0 348 114.911 2.373 9.355 1 U 3.22e+07 0 e 0 0 0 0 0 349 114.917 2.216 9.349 1 U 1.05e+07 0 e 0 0 0 0 0 350 114.958 2.015 9.358 1 U 9.57e+06 0 e 0 0 0 0 0 351 114.876 0.722 9.354 1 U 1.91e+07 0 e 0 0 0 0 0 352 121.488 9.359 8.083 1 U 4.12e+07 0 e 0 0 0 0 0 353 121.517 8.954 8.083 1 U 1.25e+07 0 e 0 0 0 0 0 354 121.482 8.654 8.082 1 U 1.03e+07 0 e 0 0 0 0 0 355 121.514 4.566 8.083 1 U 4.25e+07 0 e 0 0 0 0 0 356 121.500 3.936 8.084 1 U 2.11e+07 0 e 0 0 0 0 0 357 121.492 3.816 8.083 1 U 1.42e+07 0 e 0 0 0 0 0 358 121.414 3.571 8.083 1 U 6.18e+06 0 e 0 0 0 0 0 359 121.581 4.213 8.082 1 U 4.86e+06 0 e 0 0 0 0 0 360 121.497 2.738 8.083 1 U 6.96e+07 0 e 0 0 0 0 0 361 121.494 2.389 8.083 1 U 5.23e+07 0 e 0 0 0 0 0 362 121.542 1.538 8.083 1 U 1.18e+07 0 e 0 0 0 0 0 363 121.488 1.084 8.084 1 U 8.61e+06 0 e 0 0 0 0 0 364 121.508 0.717 8.084 1 U 1.28e+07 0 e 0 0 0 0 0 365 121.544 0.351 8.084 1 U 9.1e+06 0 e 0 0 0 0 0 366 114.197 5.107 8.687 1 U 1.08e+08 0 e 0 0 0 0 0 367 114.153 5.280 8.688 1 U 1.44e+07 0 e 0 0 0 0 0 368 114.179 4.969 8.687 1 U 1.6e+07 0 e 0 0 0 0 0 369 114.147 2.128 8.679 1 U 7.97e+06 0 e 0 0 0 0 0 370 114.201 1.870 8.686 1 U 2.54e+07 0 e 0 0 0 0 0 371 114.260 1.542 8.687 1 U 6.72e+06 0 e 0 0 0 0 0 372 114.203 0.628 8.686 1 U 1.65e+07 0 e 0 0 0 0 0 373 114.207 0.346 8.687 1 U 4.98e+07 0 e 0 0 0 0 0 374 117.507 4.953 8.515 1 U 4.63e+07 0 e 0 0 0 0 0 375 117.507 4.759 8.514 1 U 1.17e+07 0 e 0 0 0 0 0 376 117.516 3.781 8.515 1 U 3.05e+07 0 e 0 0 0 0 0 377 117.509 2.128 8.513 1 U 4.24e+07 0 e 0 0 0 0 0 378 117.559 1.051 8.517 1 U 9.27e+06 0 e 0 0 0 0 0 379 117.544 0.623 8.518 1 U 1.84e+07 0 e 0 0 0 0 0 380 117.511 0.352 8.519 1 U 1.07e+07 0 e 0 0 0 0 0 381 119.876 8.902 9.238 1 U 1.69e+07 0 e 0 0 0 0 0 382 120.689 5.367 9.248 1 U 7.66e+07 0 e 0 0 0 0 0 383 119.901 5.137 9.238 1 U 9.59e+06 0 e 0 0 0 0 0 384 119.876 4.764 9.237 1 U 6.34e+07 0 e 0 0 0 0 0 385 119.860 3.776 9.235 1 U 5.04e+06 0 e 0 0 0 0 0 386 119.892 1.053 9.238 1 U 2.5e+07 0 e 0 0 0 0 0 387 119.909 0.568 9.238 1 U 4.07e+07 0 e 0 0 0 0 0 388 120.679 8.623 9.247 1 U 1.37e+07 0 e 0 0 0 0 0 389 120.619 4.150 9.251 1 U 9.25e+06 0 e 0 0 0 0 0 390 120.521 4.922 9.244 1 U 5.79e+06 0 e 0 0 0 0 0 391 120.689 1.842 9.248 1 U 5.94e+07 0 e 0 0 0 0 0 392 120.668 1.167 9.247 1 U 9.28e+06 0 e 0 0 0 0 0 393 120.690 0.813 9.249 1 U 9.2e+06 0 e 0 0 0 0 0 394 120.568 0.572 9.249 1 U 2.54e+07 0 e 0 0 0 0 0 395 124.963 8.787 9.194 1 U 1.73e+07 0 e 0 0 0 0 0 396 124.973 5.601 9.194 1 U 1.02e+07 0 e 0 0 0 0 0 397 124.993 5.322 9.195 1 U 8.1e+07 0 e 0 0 0 0 0 398 124.984 4.930 9.197 1 U 1.36e+07 0 e 0 0 0 0 0 399 125.065 2.129 9.197 1 U 7.9e+06 0 e 0 0 0 0 0 400 125.069 1.767 9.196 1 U 1.55e+07 0 e 0 0 0 0 0 401 124.986 1.597 9.195 1 U 3.15e+07 0 e 0 0 0 0 0 402 125.000 1.906 9.195 1 U 1.03e+07 0 e 0 0 0 0 0 403 124.991 0.840 9.195 1 U 1.56e+07 0 e 0 0 0 0 0 404 115.769 4.932 8.947 1 U 1.1e+08 0 e 0 0 0 0 0 405 115.734 4.812 8.943 1 U 1.24e+07 0 e 0 0 0 0 0 406 115.768 4.242 8.947 1 U 2.07e+07 0 e 0 0 0 0 0 407 115.716 3.758 8.947 1 U 6.14e+06 0 e 0 0 0 0 0 408 115.774 1.747 8.948 1 U 2.52e+07 0 e 0 0 0 0 0 409 115.781 1.595 8.946 1 U 1.98e+07 0 e 0 0 0 0 0 410 115.767 1.267 8.946 1 U 2.98e+07 0 e 0 0 0 0 0 411 115.777 1.155 8.948 1 U 7.37e+06 0 e 0 0 0 0 0 412 115.786 0.854 8.943 1 U 1.15e+07 0 e 0 0 0 0 0 413 113.266 7.517 7.274 1 U 3.13e+07 0 e 0 0 0 0 0 414 113.239 4.468 7.274 1 U 2.25e+07 0 e 0 0 0 0 0 415 113.243 4.237 7.276 1 U 7.93e+06 0 e 0 0 0 0 0 416 113.239 4.105 7.277 1 U 2.11e+07 0 e 0 0 0 0 0 417 113.257 3.733 7.276 1 U 1.05e+07 0 e 0 0 0 0 0 418 113.272 3.154 7.276 1 U 1.32e+07 0 e 0 0 0 0 0 419 113.273 3.040 7.272 1 U 1.76e+07 0 e 0 0 0 0 0 420 113.198 1.845 7.270 1 U 7.09e+06 0 e 0 0 0 0 0 421 113.274 1.664 7.276 1 U 9.69e+06 0 e 0 0 0 0 0 422 113.334 1.268 7.276 1 U 1.16e+07 0 e 0 0 0 0 0 423 113.273 0.798 7.280 1 U 6.54e+06 0 e 0 0 0 0 0 424 118.726 8.841 7.521 1 U 1e+07 0 e 0 0 0 0 0 425 118.705 7.284 7.521 1 U 4.26e+07 0 e 0 0 0 0 0 426 118.705 4.786 7.521 1 U 2.68e+07 0 e 0 0 0 0 0 427 118.715 4.472 7.519 1 U 1.59e+07 0 e 0 0 0 0 0 428 118.739 4.105 7.520 1 U 7.08e+06 0 e 0 0 0 0 0 429 118.729 3.042 7.521 1 U 8.64e+06 0 e 0 0 0 0 0 430 118.682 2.794 7.521 1 U 1.99e+07 0 e 0 0 0 0 0 431 118.749 2.620 7.523 1 U 1.52e+07 0 e 0 0 0 0 0 432 118.642 1.692 7.522 1 U 7.93e+06 0 e 0 0 0 0 0 433 118.726 1.270 7.521 1 U 1.54e+07 0 e 0 0 0 0 0 434 118.662 0.813 7.524 1 U 8.25e+06 0 e 0 0 0 0 0 435 124.032 8.372 8.835 1 U 1.75e+07 0 e 0 0 0 0 0 436 123.974 7.524 8.838 1 U 1.11e+07 0 e 0 0 0 0 0 437 124.026 4.787 8.837 1 U 6.46e+07 0 e 0 0 0 0 0 438 124.025 4.463 8.837 1 U 2.39e+07 0 e 0 0 0 0 0 439 124.027 1.695 8.837 1 U 6.1e+07 0 e 0 0 0 0 0 440 123.981 1.292 8.825 1 U 7e+06 0 e 0 0 0 0 0 441 124.057 0.838 8.838 1 U 1.04e+07 0 e 0 0 0 0 0 442 108.181 8.843 8.378 1 U 1.8e+07 0 e 0 0 0 0 0 443 108.165 7.506 8.380 1 U 3.19e+07 0 e 0 0 0 0 0 444 108.164 4.584 8.379 1 U 1.37e+07 0 e 0 0 0 0 0 445 108.167 4.462 8.377 1 U 1.86e+07 0 e 0 0 0 0 0 446 108.097 1.696 8.379 1 U 9.81e+06 0 e 0 0 0 0 0 447 108.138 1.296 8.379 1 U 2.74e+07 0 e 0 0 0 0 0 448 120.728 8.380 7.506 1 U 4.32e+07 0 e 0 0 0 0 0 449 120.641 8.661 7.494 1 U 6.31e+06 0 e 0 0 0 0 0 450 120.762 5.252 7.508 1 U 2.23e+07 0 e 0 0 0 0 0 451 120.727 4.584 7.507 1 U 1.51e+07 0 e 0 0 0 0 0 452 120.757 4.468 7.508 1 U 1.75e+07 0 e 0 0 0 0 0 453 120.724 1.950 7.504 1 U 1.55e+07 0 e 0 0 0 0 0 454 120.727 1.793 7.505 1 U 3.04e+07 0 e 0 0 0 0 0 455 120.735 1.655 7.507 1 U 1.12e+07 0 e 0 0 0 0 0 456 120.629 1.287 7.509 1 U 8.11e+06 0 e 0 0 0 0 0 457 120.743 0.857 7.510 1 U 7.99e+06 0 e 0 0 0 0 0 458 121.893 7.520 8.668 1 U 5.53e+06 0 e 0 0 0 0 0 459 121.891 6.995 8.666 1 U 8.25e+06 0 e 0 0 0 0 0 460 121.868 5.496 8.663 1 U 1.7e+07 0 e 0 0 0 0 0 461 121.876 5.250 8.663 1 U 6.46e+07 0 e 0 0 0 0 0 462 121.883 4.914 8.665 1 U 2.21e+07 0 e 0 0 0 0 0 463 121.919 3.063 8.665 1 U 9.13e+06 0 e 0 0 0 0 0 464 121.880 1.948 8.664 1 U 2.09e+07 0 e 0 0 0 0 0 465 121.867 1.796 8.665 1 U 1.75e+07 0 e 0 0 0 0 0 466 121.889 1.169 8.664 1 U 3.86e+07 0 e 0 0 0 0 0 467 121.897 0.591 8.659 1 U 7.15e+06 0 e 0 0 0 0 0 468 120.866 9.248 8.622 1 U 1.33e+07 0 e 0 0 0 0 0 469 120.771 5.113 8.636 1 U 1.43e+07 0 e 0 0 0 0 0 470 120.792 4.572 8.637 1 U 6.99e+07 0 e 0 0 0 0 0 471 120.766 2.446 8.639 1 U 1.33e+07 0 e 0 0 0 0 0 472 120.743 2.738 8.638 1 U 6.42e+06 0 e 0 0 0 0 0 473 120.799 1.855 8.636 1 U 4.26e+07 0 e 0 0 0 0 0 474 120.801 1.539 8.633 1 U 1.72e+07 0 e 0 0 0 0 0 475 120.805 0.586 8.634 1 U 6.5e+06 0 e 0 0 0 0 0 476 125.774 8.220 8.879 1 U 5.94e+06 0 e 0 0 0 0 0 477 125.685 4.669 8.881 1 U 2.67e+07 0 e 0 0 0 0 0 478 125.668 1.507 8.885 1 U 1.7e+07 0 e 0 0 0 0 0 479 125.691 0.589 8.887 1 U 8.97e+06 0 e 0 0 0 0 0 480 125.667 1.378 8.882 1 U 7.85e+06 0 e 0 0 0 0 0 481 125.630 4.451 8.415 1 U 3.23e+07 0 e 0 0 0 0 0 482 125.644 4.334 8.410 1 U 1.11e+07 0 e 0 0 0 0 0 483 125.629 1.420 8.415 1 U 2.8e+07 0 e 0 0 0 0 0 484 125.290 4.233 7.999 1 U 1.14e+08 0 e 0 0 0 0 0 485 125.292 4.126 8.000 1 U 3.09e+07 0 e 0 0 0 0 0 486 125.324 3.203 8.000 1 U 5.43e+06 0 e 0 0 0 0 0 487 125.280 1.836 8.000 1 U 1.86e+07 0 e 0 0 0 0 0 488 125.297 1.730 7.999 1 U 2.8e+07 0 e 0 0 0 0 0 489 125.276 1.621 7.999 1 U 1.92e+07 0 e 0 0 0 0 0 490 125.300 1.401 7.999 1 U 3.26e+07 0 e 0 0 0 0 0 491 113.245 2.879 7.648 1 U 3.01e+07 0 e 0 0 0 0 0 492 113.265 2.877 6.975 1 U 1.48e+07 0 e 0 0 0 0 0 493 113.377 1.142 6.971 1 U 5.2e+06 0 e 0 0 0 0 0 494 113.266 7.649 6.976 1 U 2e+08 0 e 0 0 0 0 0 495 113.265 6.975 7.648 1 U 2.22e+08 0 e 0 0 0 0 0 496 113.098 2.403 7.734 1 U 1.7e+07 0 e 0 0 0 0 0 497 113.176 2.392 6.900 1 U 6.61e+06 0 e 0 0 0 0 0 498 113.175 1.036 6.902 1 U 5.92e+06 0 e 0 0 0 0 0 499 113.187 7.735 6.900 1 U 2.23e+08 0 e 0 0 0 0 0 500 113.187 6.900 7.734 1 U 2.65e+08 0 e 0 0 0 0 0 501 111.176 2.432 7.859 1 U 1.51e+07 0 e 0 0 0 0 0 502 111.207 2.448 6.811 1 U 7.38e+06 0 e 0 0 0 0 0 503 111.211 2.156 6.813 1 U 9.98e+06 0 e 0 0 0 0 0 504 111.135 2.148 7.856 1 U 1.6e+07 0 e 0 0 0 0 0 505 111.172 0.632 7.859 1 U 7.43e+06 0 e 0 0 0 0 0 506 111.125 0.633 6.811 1 U 6.64e+06 0 e 0 0 0 0 0 507 111.141 1.038 6.811 1 U 5.99e+06 0 e 0 0 0 0 0 508 111.192 7.857 6.812 1 U 2.93e+08 0 e 0 0 0 0 0 509 111.192 6.812 7.856 1 U 2.55e+08 0 e 0 0 0 0 0 510 107.148 3.239 7.495 1 U 1.23e+07 0 e 0 0 0 0 0 511 107.134 3.243 6.272 1 U 6.98e+06 0 e 0 0 0 0 0 512 107.163 2.667 7.500 1 U 1.08e+07 0 e 0 0 0 0 0 513 107.151 2.048 7.502 1 U 5.89e+06 0 e 0 0 0 0 0 514 107.175 2.050 6.271 1 U 7.27e+06 0 e 0 0 0 0 0 515 107.188 7.497 6.271 1 U 7.63e+07 0 e 0 0 0 0 0 516 107.188 6.269 7.497 1 U 8.74e+07 0 e 0 0 0 0 0 517 120.876 4.915 8.623 1 U 6.23e+07 0 e 0 0 0 0 0 518 120.973 4.663 8.621 1 U 1.37e+07 0 e 0 0 0 0 0 519 120.885 1.170 8.622 1 U 2.57e+07 0 e 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 HN . aliased 1600 Hz . . . 117 . . 31199 2 2 . . H 1 H . aliased 7200 Hz . . . 4.85 . . 31199 2 3 . . H 1 HN . aliased 7200 Hz . . . 4.85 . . 31199 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 31199 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _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 # Number of peaks 5 #FORMAT cyana3D #INAME 1 h #INAME 2 C #INAME 3 H #CYANAFORMAT hCH 1 7.122 115.788 6.911 1 U 1.38e+06 0 e 0 0 0 0 0 2 7.085 115.537 6.823 1 U 1.11e+06 0 e 0 0 0 0 0 3 6.827 130.425 7.091 1 U 1.2e+06 0 e 0 0 0 0 0 4 3.001 130.305 7.091 1 U 4.9e+05 0 e 0 0 0 0 0 5 6.911 130.331 7.121 1 U 1.51e+06 0 e 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . aliased 7200 Hz . . . 4.85 . . 31199 3 2 . . C 13 C-aromatic . aliased 30 ppm . . . 125 . . 31199 3 3 . . H 1 H . aliased 7200 Hz . . . 4.85 . . 31199 3 stop_ save_