data_34745 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34745 _Entry.Title ; The Solution Structure of the Triple Mutant Methyl-CpG-Binding Domain from MeCP2 that Binds to Asymmetrically Modified DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-01 _Entry.Accession_date 2022-08-01 _Entry.Last_release_date 2022-10-25 _Entry.Original_release_date 2022-10-25 _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 H. Singh H. . . . 34745 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34745 'gene regulation' . 34745 'hmC-mC complex' . 34745 'methyl-CpG-binding domain (MBD) of MeCP2' . 34745 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34745 spectral_peak_list 1 34745 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 220 34745 '15N chemical shifts' 70 34745 '1H chemical shifts' 318 34745 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 . . 2023-02-17 . original BMRB . 34745 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8ALQ 'BMRB Entry Tracking System' 34745 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34745 _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 ; Epigenetic Marks Probed by a DNA Duplex Reader via a Well-Tempered Conformational Plasticity ; _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 H. Singh H. . . . 34745 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34745 _Assembly.ID 1 _Assembly.Name 'Methyl-CpG-binding protein 2' _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 . . . . . . 34745 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34745 _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 ; SLEDRGPMYDDPTLPEGWTR KLTQRKSGRSAGKYDAYLIN PQGKAFRNKVELIAYFEKVG DTSLDPNDFDFTVTGRGSPS RREQKPPKKPKSPKATSHHH HHHH ; _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 104 _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 11905.288 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MeCp-2 protein' common 34745 1 MeCp2 common 34745 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 34745 1 2 . LEU . 34745 1 3 . GLU . 34745 1 4 . ASP . 34745 1 5 . ARG . 34745 1 6 . GLY . 34745 1 7 . PRO . 34745 1 8 . MET . 34745 1 9 . TYR . 34745 1 10 . ASP . 34745 1 11 . ASP . 34745 1 12 . PRO . 34745 1 13 . THR . 34745 1 14 . LEU . 34745 1 15 . PRO . 34745 1 16 . GLU . 34745 1 17 . GLY . 34745 1 18 . TRP . 34745 1 19 . THR . 34745 1 20 . ARG . 34745 1 21 . LYS . 34745 1 22 . LEU . 34745 1 23 . THR . 34745 1 24 . GLN . 34745 1 25 . ARG . 34745 1 26 . LYS . 34745 1 27 . SER . 34745 1 28 . GLY . 34745 1 29 . ARG . 34745 1 30 . SER . 34745 1 31 . ALA . 34745 1 32 . GLY . 34745 1 33 . LYS . 34745 1 34 . TYR . 34745 1 35 . ASP . 34745 1 36 . ALA . 34745 1 37 . TYR . 34745 1 38 . LEU . 34745 1 39 . ILE . 34745 1 40 . ASN . 34745 1 41 . PRO . 34745 1 42 . GLN . 34745 1 43 . GLY . 34745 1 44 . LYS . 34745 1 45 . ALA . 34745 1 46 . PHE . 34745 1 47 . ARG . 34745 1 48 . ASN . 34745 1 49 . LYS . 34745 1 50 . VAL . 34745 1 51 . GLU . 34745 1 52 . LEU . 34745 1 53 . ILE . 34745 1 54 . ALA . 34745 1 55 . TYR . 34745 1 56 . PHE . 34745 1 57 . GLU . 34745 1 58 . LYS . 34745 1 59 . VAL . 34745 1 60 . GLY . 34745 1 61 . ASP . 34745 1 62 . THR . 34745 1 63 . SER . 34745 1 64 . LEU . 34745 1 65 . ASP . 34745 1 66 . PRO . 34745 1 67 . ASN . 34745 1 68 . ASP . 34745 1 69 . PHE . 34745 1 70 . ASP . 34745 1 71 . PHE . 34745 1 72 . THR . 34745 1 73 . VAL . 34745 1 74 . THR . 34745 1 75 . GLY . 34745 1 76 . ARG . 34745 1 77 . GLY . 34745 1 78 . SER . 34745 1 79 . PRO . 34745 1 80 . SER . 34745 1 81 . ARG . 34745 1 82 . ARG . 34745 1 83 . GLU . 34745 1 84 . GLN . 34745 1 85 . LYS . 34745 1 86 . PRO . 34745 1 87 . PRO . 34745 1 88 . LYS . 34745 1 89 . LYS . 34745 1 90 . PRO . 34745 1 91 . LYS . 34745 1 92 . SER . 34745 1 93 . PRO . 34745 1 94 . LYS . 34745 1 95 . ALA . 34745 1 96 . THR . 34745 1 97 . SER . 34745 1 98 . HIS . 34745 1 99 . HIS . 34745 1 100 . HIS . 34745 1 101 . HIS . 34745 1 102 . HIS . 34745 1 103 . HIS . 34745 1 104 . HIS . 34745 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 . SER 1 1 34745 1 . LEU 2 2 34745 1 . GLU 3 3 34745 1 . ASP 4 4 34745 1 . ARG 5 5 34745 1 . GLY 6 6 34745 1 . PRO 7 7 34745 1 . MET 8 8 34745 1 . TYR 9 9 34745 1 . ASP 10 10 34745 1 . ASP 11 11 34745 1 . PRO 12 12 34745 1 . THR 13 13 34745 1 . LEU 14 14 34745 1 . PRO 15 15 34745 1 . GLU 16 16 34745 1 . GLY 17 17 34745 1 . TRP 18 18 34745 1 . THR 19 19 34745 1 . ARG 20 20 34745 1 . LYS 21 21 34745 1 . LEU 22 22 34745 1 . THR 23 23 34745 1 . GLN 24 24 34745 1 . ARG 25 25 34745 1 . LYS 26 26 34745 1 . SER 27 27 34745 1 . GLY 28 28 34745 1 . ARG 29 29 34745 1 . SER 30 30 34745 1 . ALA 31 31 34745 1 . GLY 32 32 34745 1 . LYS 33 33 34745 1 . TYR 34 34 34745 1 . ASP 35 35 34745 1 . ALA 36 36 34745 1 . TYR 37 37 34745 1 . LEU 38 38 34745 1 . ILE 39 39 34745 1 . ASN 40 40 34745 1 . PRO 41 41 34745 1 . GLN 42 42 34745 1 . GLY 43 43 34745 1 . LYS 44 44 34745 1 . ALA 45 45 34745 1 . PHE 46 46 34745 1 . ARG 47 47 34745 1 . ASN 48 48 34745 1 . LYS 49 49 34745 1 . VAL 50 50 34745 1 . GLU 51 51 34745 1 . LEU 52 52 34745 1 . ILE 53 53 34745 1 . ALA 54 54 34745 1 . TYR 55 55 34745 1 . PHE 56 56 34745 1 . GLU 57 57 34745 1 . LYS 58 58 34745 1 . VAL 59 59 34745 1 . GLY 60 60 34745 1 . ASP 61 61 34745 1 . THR 62 62 34745 1 . SER 63 63 34745 1 . LEU 64 64 34745 1 . ASP 65 65 34745 1 . PRO 66 66 34745 1 . ASN 67 67 34745 1 . ASP 68 68 34745 1 . PHE 69 69 34745 1 . ASP 70 70 34745 1 . PHE 71 71 34745 1 . THR 72 72 34745 1 . VAL 73 73 34745 1 . THR 74 74 34745 1 . GLY 75 75 34745 1 . ARG 76 76 34745 1 . GLY 77 77 34745 1 . SER 78 78 34745 1 . PRO 79 79 34745 1 . SER 80 80 34745 1 . ARG 81 81 34745 1 . ARG 82 82 34745 1 . GLU 83 83 34745 1 . GLN 84 84 34745 1 . LYS 85 85 34745 1 . PRO 86 86 34745 1 . PRO 87 87 34745 1 . LYS 88 88 34745 1 . LYS 89 89 34745 1 . PRO 90 90 34745 1 . LYS 91 91 34745 1 . SER 92 92 34745 1 . PRO 93 93 34745 1 . LYS 94 94 34745 1 . ALA 95 95 34745 1 . THR 96 96 34745 1 . SER 97 97 34745 1 . HIS 98 98 34745 1 . HIS 99 99 34745 1 . HIS 100 100 34745 1 . HIS 101 101 34745 1 . HIS 102 102 34745 1 . HIS 103 103 34745 1 . HIS 104 104 34745 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 34745 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . Mecp2 . 34745 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 34745 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34745 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34745 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM [U-100% 13C; U-100% 15N] Methyl-CpG-binding domain (MBD) of MeCP2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methyl-CpG-binding domain (MBD) of MeCP2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 34745 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34745 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM [U-100% 15N] Methyl-CpG-binding domain (MBD) of MeCP2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methyl-CpG-binding domain (MBD) of MeCP2' '[U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 34745 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 34745 _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' 100 . mM 34745 1 pH 6 . pH* 34745 1 pressure 1 . atm 34745 1 temperature 305 . K 34745 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34745 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _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' . . 34745 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34745 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34745 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34745 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34745 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34745 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34745 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34745 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34745 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34745 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34745 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34745 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34745 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 34745 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 34745 _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-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34745 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34745 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34745 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34745 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34745 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34745 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34745 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 34745 _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 internal indirect . . . . . . 34745 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34745 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 34745 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34745 1 2 '3D HNCO' . . . 34745 1 3 '3D HNCA' . . . 34745 1 4 '3D CBCA(CO)NH' . . . 34745 1 5 '3D HNCACB' . . . 34745 1 6 '3D 1H-13C NOESY aliphatic' . . . 34745 1 7 '3D 1H-15N NOESY' . . . 34745 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 4 4 ASP H H 1 8.228 0.020 . 1 . . . . A 4 ASP H . 34745 1 2 . 1 . 1 4 4 ASP HA H 1 4.606 0.020 . 1 . . . . A 4 ASP HA . 34745 1 3 . 1 . 1 4 4 ASP HB2 H 1 3.099 0.020 . 1 . . . . A 4 ASP HB2 . 34745 1 4 . 1 . 1 4 4 ASP HB3 H 1 3.099 0.020 . 1 . . . . A 4 ASP HB3 . 34745 1 5 . 1 . 1 4 4 ASP C C 13 176.483 0.3 . 1 . . . . A 4 ASP C . 34745 1 6 . 1 . 1 4 4 ASP CA C 13 55.475 0.3 . 1 . . . . A 4 ASP CA . 34745 1 7 . 1 . 1 4 4 ASP CB C 13 40.820 0.3 . 1 . . . . A 4 ASP CB . 34745 1 8 . 1 . 1 4 4 ASP N N 15 124.212 0.3 . 1 . . . . A 4 ASP N . 34745 1 9 . 1 . 1 5 5 ARG H H 1 8.273 0.020 . 1 . . . . A 5 ARG H . 34745 1 10 . 1 . 1 5 5 ARG HA H 1 4.411 0.020 . 1 . . . . A 5 ARG HA . 34745 1 11 . 1 . 1 5 5 ARG HB2 H 1 1.378 0.020 . 1 . . . . A 5 ARG HB2 . 34745 1 12 . 1 . 1 5 5 ARG HB3 H 1 1.378 0.020 . 1 . . . . A 5 ARG HB3 . 34745 1 13 . 1 . 1 5 5 ARG C C 13 176.634 0.3 . 1 . . . . A 5 ARG C . 34745 1 14 . 1 . 1 5 5 ARG CA C 13 57.053 0.3 . 1 . . . . A 5 ARG CA . 34745 1 15 . 1 . 1 5 5 ARG CB C 13 31.764 0.3 . 1 . . . . A 5 ARG CB . 34745 1 16 . 1 . 1 5 5 ARG CG C 13 27.072 0.3 . 1 . . . . A 5 ARG CG . 34745 1 17 . 1 . 1 5 5 ARG CD C 13 43.645 0.3 . 1 . . . . A 5 ARG CD . 34745 1 18 . 1 . 1 5 5 ARG N N 15 125.275 0.3 . 1 . . . . A 5 ARG N . 34745 1 19 . 1 . 1 6 6 GLY H H 1 8.325 0.020 . 1 . . . . A 6 GLY H . 34745 1 20 . 1 . 1 6 6 GLY HA2 H 1 4.233 0.020 . 1 . . . . A 6 GLY HA2 . 34745 1 21 . 1 . 1 6 6 GLY HA3 H 1 4.233 0.020 . 1 . . . . A 6 GLY HA3 . 34745 1 22 . 1 . 1 6 6 GLY CA C 13 43.196 0.3 . 1 . . . . A 6 GLY CA . 34745 1 23 . 1 . 1 6 6 GLY N N 15 109.094 0.3 . 1 . . . . A 6 GLY N . 34745 1 24 . 1 . 1 7 7 PRO HA H 1 4.661 0.020 . 1 . . . . A 7 PRO HA . 34745 1 25 . 1 . 1 7 7 PRO HB2 H 1 2.355 0.020 . 2 . . . . A 7 PRO HB2 . 34745 1 26 . 1 . 1 7 7 PRO HB3 H 1 2.086 0.020 . 2 . . . . A 7 PRO HB3 . 34745 1 27 . 1 . 1 7 7 PRO HG2 H 1 1.797 0.020 . 2 . . . . A 7 PRO HG2 . 34745 1 28 . 1 . 1 7 7 PRO HG3 H 1 1.888 0.020 . 2 . . . . A 7 PRO HG3 . 34745 1 29 . 1 . 1 7 7 PRO HD2 H 1 3.595 0.020 . 2 . . . . A 7 PRO HD2 . 34745 1 30 . 1 . 1 7 7 PRO HD3 H 1 3.594 0.020 . 2 . . . . A 7 PRO HD3 . 34745 1 31 . 1 . 1 7 7 PRO C C 13 175.986 0.3 . 1 . . . . A 7 PRO C . 34745 1 32 . 1 . 1 7 7 PRO CA C 13 61.415 0.3 . 1 . . . . A 7 PRO CA . 34745 1 33 . 1 . 1 7 7 PRO CB C 13 34.431 0.3 . 1 . . . . A 7 PRO CB . 34745 1 34 . 1 . 1 7 7 PRO CG C 13 24.813 0.3 . 1 . . . . A 7 PRO CG . 34745 1 35 . 1 . 1 7 7 PRO CD C 13 50.217 0.3 . 1 . . . . A 7 PRO CD . 34745 1 36 . 1 . 1 8 8 MET CA C 13 56.687 0.3 . 1 . . . . A 8 MET CA . 34745 1 37 . 1 . 1 8 8 MET CB C 13 33.152 0.3 . 1 . . . . A 8 MET CB . 34745 1 38 . 1 . 1 12 12 PRO HA H 1 4.615 0.020 . 1 . . . . A 12 PRO HA . 34745 1 39 . 1 . 1 12 12 PRO HB2 H 1 2.350 0.020 . 2 . . . . A 12 PRO HB2 . 34745 1 40 . 1 . 1 12 12 PRO HB3 H 1 2.077 0.020 . 2 . . . . A 12 PRO HB3 . 34745 1 41 . 1 . 1 12 12 PRO HG2 H 1 1.928 0.020 . 2 . . . . A 12 PRO HG2 . 34745 1 42 . 1 . 1 12 12 PRO HG3 H 1 2.034 0.020 . 2 . . . . A 12 PRO HG3 . 34745 1 43 . 1 . 1 12 12 PRO C C 13 176.926 0.3 . 1 . . . . A 12 PRO C . 34745 1 44 . 1 . 1 12 12 PRO CA C 13 63.471 0.3 . 1 . . . . A 12 PRO CA . 34745 1 45 . 1 . 1 12 12 PRO CB C 13 32.330 0.3 . 1 . . . . A 12 PRO CB . 34745 1 46 . 1 . 1 12 12 PRO CG C 13 26.461 0.3 . 1 . . . . A 12 PRO CG . 34745 1 47 . 1 . 1 12 12 PRO CD C 13 51.202 0.3 . 1 . . . . A 12 PRO CD . 34745 1 48 . 1 . 1 13 13 THR H H 1 8.445 0.020 . 1 . . . . A 13 THR H . 34745 1 49 . 1 . 1 13 13 THR HA H 1 4.212 0.020 . 1 . . . . A 13 THR HA . 34745 1 50 . 1 . 1 13 13 THR HB H 1 4.531 0.020 . 1 . . . . A 13 THR HB . 34745 1 51 . 1 . 1 13 13 THR HG21 H 1 1.095 0.020 . 1 . . . . A 13 THR HG21 . 34745 1 52 . 1 . 1 13 13 THR HG22 H 1 1.095 0.020 . 1 . . . . A 13 THR HG22 . 34745 1 53 . 1 . 1 13 13 THR HG23 H 1 1.095 0.020 . 1 . . . . A 13 THR HG23 . 34745 1 54 . 1 . 1 13 13 THR C C 13 175.518 0.3 . 1 . . . . A 13 THR C . 34745 1 55 . 1 . 1 13 13 THR CA C 13 62.287 0.3 . 1 . . . . A 13 THR CA . 34745 1 56 . 1 . 1 13 13 THR CB C 13 68.783 0.3 . 1 . . . . A 13 THR CB . 34745 1 57 . 1 . 1 13 13 THR CG2 C 13 21.592 0.3 . 1 . . . . A 13 THR CG2 . 34745 1 58 . 1 . 1 13 13 THR N N 15 110.167 0.3 . 1 . . . . A 13 THR N . 34745 1 59 . 1 . 1 14 14 LEU H H 1 6.930 0.020 . 1 . . . . A 14 LEU H . 34745 1 60 . 1 . 1 14 14 LEU HA H 1 4.649 0.020 . 1 . . . . A 14 LEU HA . 34745 1 61 . 1 . 1 14 14 LEU HB2 H 1 1.645 0.020 . 1 . . . . A 14 LEU HB2 . 34745 1 62 . 1 . 1 14 14 LEU HB3 H 1 1.645 0.020 . 1 . . . . A 14 LEU HB3 . 34745 1 63 . 1 . 1 14 14 LEU CA C 13 53.395 0.3 . 1 . . . . A 14 LEU CA . 34745 1 64 . 1 . 1 14 14 LEU CB C 13 41.742 0.3 . 1 . . . . A 14 LEU CB . 34745 1 65 . 1 . 1 14 14 LEU N N 15 124.232 0.3 . 1 . . . . A 14 LEU N . 34745 1 66 . 1 . 1 15 15 PRO HA H 1 4.330 0.020 . 1 . . . . A 15 PRO HA . 34745 1 67 . 1 . 1 15 15 PRO HB2 H 1 2.283 0.020 . 2 . . . . A 15 PRO HB2 . 34745 1 68 . 1 . 1 15 15 PRO HB3 H 1 1.812 0.020 . 2 . . . . A 15 PRO HB3 . 34745 1 69 . 1 . 1 15 15 PRO HG2 H 1 1.542 0.020 . 2 . . . . A 15 PRO HG2 . 34745 1 70 . 1 . 1 15 15 PRO HG3 H 1 1.105 0.020 . 2 . . . . A 15 PRO HG3 . 34745 1 71 . 1 . 1 15 15 PRO HD2 H 1 3.173 0.020 . 2 . . . . A 15 PRO HD2 . 34745 1 72 . 1 . 1 15 15 PRO HD3 H 1 2.520 0.020 . 2 . . . . A 15 PRO HD3 . 34745 1 73 . 1 . 1 15 15 PRO C C 13 175.677 0.3 . 1 . . . . A 15 PRO C . 34745 1 74 . 1 . 1 15 15 PRO CA C 13 62.152 0.3 . 1 . . . . A 15 PRO CA . 34745 1 75 . 1 . 1 15 15 PRO CB C 13 31.108 0.3 . 1 . . . . A 15 PRO CB . 34745 1 76 . 1 . 1 15 15 PRO CG C 13 27.267 0.3 . 1 . . . . A 15 PRO CG . 34745 1 77 . 1 . 1 15 15 PRO CD C 13 49.533 0.3 . 1 . . . . A 15 PRO CD . 34745 1 78 . 1 . 1 16 16 GLU H H 1 8.346 0.020 . 1 . . . . A 16 GLU H . 34745 1 79 . 1 . 1 16 16 GLU HA H 1 4.073 0.020 . 1 . . . . A 16 GLU HA . 34745 1 80 . 1 . 1 16 16 GLU HB2 H 1 2.077 0.020 . 1 . . . . A 16 GLU HB2 . 34745 1 81 . 1 . 1 16 16 GLU HB3 H 1 2.077 0.020 . 1 . . . . A 16 GLU HB3 . 34745 1 82 . 1 . 1 16 16 GLU C C 13 177.843 0.3 . 1 . . . . A 16 GLU C . 34745 1 83 . 1 . 1 16 16 GLU CA C 13 58.325 0.3 . 1 . . . . A 16 GLU CA . 34745 1 84 . 1 . 1 16 16 GLU CB C 13 29.498 0.3 . 1 . . . . A 16 GLU CB . 34745 1 85 . 1 . 1 16 16 GLU CG C 13 35.826 0.3 . 1 . . . . A 16 GLU CG . 34745 1 86 . 1 . 1 16 16 GLU N N 15 120.705 0.3 . 1 . . . . A 16 GLU N . 34745 1 87 . 1 . 1 17 17 GLY H H 1 8.886 0.020 . 1 . . . . A 17 GLY H . 34745 1 88 . 1 . 1 17 17 GLY HA2 H 1 4.372 0.020 . 2 . . . . A 17 GLY HA2 . 34745 1 89 . 1 . 1 17 17 GLY HA3 H 1 3.742 0.020 . 2 . . . . A 17 GLY HA3 . 34745 1 90 . 1 . 1 17 17 GLY C C 13 174.619 0.3 . 1 . . . . A 17 GLY C . 34745 1 91 . 1 . 1 17 17 GLY CA C 13 45.438 0.3 . 1 . . . . A 17 GLY CA . 34745 1 92 . 1 . 1 17 17 GLY N N 15 114.291 0.3 . 1 . . . . A 17 GLY N . 34745 1 93 . 1 . 1 18 18 TRP H H 1 8.407 0.020 . 1 . . . . A 18 TRP H . 34745 1 94 . 1 . 1 18 18 TRP HA H 1 5.185 0.020 . 1 . . . . A 18 TRP HA . 34745 1 95 . 1 . 1 18 18 TRP HB2 H 1 3.257 0.020 . 1 . . . . A 18 TRP HB2 . 34745 1 96 . 1 . 1 18 18 TRP HB3 H 1 3.257 0.020 . 1 . . . . A 18 TRP HB3 . 34745 1 97 . 1 . 1 18 18 TRP HD1 H 1 7.240 0.020 . 1 . . . . A 18 TRP HD1 . 34745 1 98 . 1 . 1 18 18 TRP HE1 H 1 10.652 0.020 . 1 . . . . A 18 TRP HE1 . 34745 1 99 . 1 . 1 18 18 TRP HZ2 H 1 7.750 0.020 . 1 . . . . A 18 TRP HZ2 . 34745 1 100 . 1 . 1 18 18 TRP C C 13 176.709 0.3 . 1 . . . . A 18 TRP C . 34745 1 101 . 1 . 1 18 18 TRP CA C 13 57.480 0.3 . 1 . . . . A 18 TRP CA . 34745 1 102 . 1 . 1 18 18 TRP CB C 13 29.682 0.3 . 1 . . . . A 18 TRP CB . 34745 1 103 . 1 . 1 18 18 TRP N N 15 122.065 0.3 . 1 . . . . A 18 TRP N . 34745 1 104 . 1 . 1 18 18 TRP NE1 N 15 130.888 0.3 . 1 . . . . A 18 TRP NE1 . 34745 1 105 . 1 . 1 19 19 THR H H 1 9.235 0.020 . 1 . . . . A 19 THR H . 34745 1 106 . 1 . 1 19 19 THR HA H 1 4.699 0.020 . 1 . . . . A 19 THR HA . 34745 1 107 . 1 . 1 19 19 THR HB H 1 4.150 0.020 . 1 . . . . A 19 THR HB . 34745 1 108 . 1 . 1 19 19 THR HG21 H 1 1.164 0.020 . 1 . . . . A 19 THR HG21 . 34745 1 109 . 1 . 1 19 19 THR HG22 H 1 1.164 0.020 . 1 . . . . A 19 THR HG22 . 34745 1 110 . 1 . 1 19 19 THR HG23 H 1 1.164 0.020 . 1 . . . . A 19 THR HG23 . 34745 1 111 . 1 . 1 19 19 THR CA C 13 60.907 0.3 . 1 . . . . A 19 THR CA . 34745 1 112 . 1 . 1 19 19 THR CB C 13 72.754 0.3 . 1 . . . . A 19 THR CB . 34745 1 113 . 1 . 1 19 19 THR CG2 C 13 22.248 0.3 . 1 . . . . A 19 THR CG2 . 34745 1 114 . 1 . 1 19 19 THR N N 15 113.083 0.3 . 1 . . . . A 19 THR N . 34745 1 115 . 1 . 1 20 20 ARG HA H 1 5.409 0.020 . 1 . . . . A 20 ARG HA . 34745 1 116 . 1 . 1 20 20 ARG HG3 H 1 1.453 0.020 . 1 . . . . A 20 ARG HG3 . 34745 1 117 . 1 . 1 20 20 ARG C C 13 174.649 0.3 . 1 . . . . A 20 ARG C . 34745 1 118 . 1 . 1 20 20 ARG CA C 13 54.528 0.3 . 1 . . . . A 20 ARG CA . 34745 1 119 . 1 . 1 20 20 ARG CB C 13 33.429 0.3 . 1 . . . . A 20 ARG CB . 34745 1 120 . 1 . 1 20 20 ARG CG C 13 27.641 0.3 . 1 . . . . A 20 ARG CG . 34745 1 121 . 1 . 1 21 21 LYS H H 1 9.206 0.020 . 1 . . . . A 21 LYS H . 34745 1 122 . 1 . 1 21 21 LYS HA H 1 4.868 0.020 . 1 . . . . A 21 LYS HA . 34745 1 123 . 1 . 1 21 21 LYS CA C 13 55.041 0.3 . 1 . . . . A 21 LYS CA . 34745 1 124 . 1 . 1 21 21 LYS N N 15 124.229 0.3 . 1 . . . . A 21 LYS N . 34745 1 125 . 1 . 1 22 22 LEU H H 1 8.921 0.020 . 1 . . . . A 22 LEU H . 34745 1 126 . 1 . 1 22 22 LEU HA H 1 5.792 0.020 . 1 . . . . A 22 LEU HA . 34745 1 127 . 1 . 1 22 22 LEU HB2 H 1 1.818 0.020 . 2 . . . . A 22 LEU HB2 . 34745 1 128 . 1 . 1 22 22 LEU HB3 H 1 1.765 0.020 . 2 . . . . A 22 LEU HB3 . 34745 1 129 . 1 . 1 22 22 LEU HG H 1 1.554 0.020 . 1 . . . . A 22 LEU HG . 34745 1 130 . 1 . 1 22 22 LEU HD11 H 1 0.545 0.020 . 1 . . . . A 22 LEU HD11 . 34745 1 131 . 1 . 1 22 22 LEU HD12 H 1 0.545 0.020 . 1 . . . . A 22 LEU HD12 . 34745 1 132 . 1 . 1 22 22 LEU HD13 H 1 0.545 0.020 . 1 . . . . A 22 LEU HD13 . 34745 1 133 . 1 . 1 22 22 LEU C C 13 177.399 0.3 . 1 . . . . A 22 LEU C . 34745 1 134 . 1 . 1 22 22 LEU CA C 13 53.203 0.3 . 1 . . . . A 22 LEU CA . 34745 1 135 . 1 . 1 22 22 LEU CB C 13 43.946 0.3 . 1 . . . . A 22 LEU CB . 34745 1 136 . 1 . 1 22 22 LEU CG C 13 29.227 0.3 . 1 . . . . A 22 LEU CG . 34745 1 137 . 1 . 1 22 22 LEU CD1 C 13 25.346 0.3 . 1 . . . . A 22 LEU CD1 . 34745 1 138 . 1 . 1 22 22 LEU CD2 C 13 25.895 0.3 . 1 . . . . A 22 LEU CD2 . 34745 1 139 . 1 . 1 22 22 LEU N N 15 127.016 0.3 . 1 . . . . A 22 LEU N . 34745 1 140 . 1 . 1 23 23 THR H H 1 9.164 0.020 . 1 . . . . A 23 THR H . 34745 1 141 . 1 . 1 23 23 THR HA H 1 4.782 0.020 . 1 . . . . A 23 THR HA . 34745 1 142 . 1 . 1 23 23 THR HB H 1 4.384 0.020 . 1 . . . . A 23 THR HB . 34745 1 143 . 1 . 1 23 23 THR HG21 H 1 1.217 0.020 . 1 . . . . A 23 THR HG21 . 34745 1 144 . 1 . 1 23 23 THR HG22 H 1 1.217 0.020 . 1 . . . . A 23 THR HG22 . 34745 1 145 . 1 . 1 23 23 THR HG23 H 1 1.217 0.020 . 1 . . . . A 23 THR HG23 . 34745 1 146 . 1 . 1 23 23 THR C C 13 175.174 0.3 . 1 . . . . A 23 THR C . 34745 1 147 . 1 . 1 23 23 THR CA C 13 60.397 0.3 . 1 . . . . A 23 THR CA . 34745 1 148 . 1 . 1 23 23 THR CB C 13 71.020 0.3 . 1 . . . . A 23 THR CB . 34745 1 149 . 1 . 1 23 23 THR N N 15 116.485 0.3 . 1 . . . . A 23 THR N . 34745 1 150 . 1 . 1 24 24 GLN H H 1 8.608 0.020 . 1 . . . . A 24 GLN H . 34745 1 151 . 1 . 1 24 24 GLN HA H 1 4.734 0.020 . 1 . . . . A 24 GLN HA . 34745 1 152 . 1 . 1 24 24 GLN HB2 H 1 1.559 0.020 . 1 . . . . A 24 GLN HB2 . 34745 1 153 . 1 . 1 24 24 GLN HB3 H 1 1.559 0.020 . 1 . . . . A 24 GLN HB3 . 34745 1 154 . 1 . 1 24 24 GLN HE21 H 1 7.286 0.020 . 1 . . . . A 24 GLN HE21 . 34745 1 155 . 1 . 1 24 24 GLN HE22 H 1 6.764 0.020 . 1 . . . . A 24 GLN HE22 . 34745 1 156 . 1 . 1 24 24 GLN C C 13 176.582 0.3 . 1 . . . . A 24 GLN C . 34745 1 157 . 1 . 1 24 24 GLN CA C 13 54.242 0.3 . 1 . . . . A 24 GLN CA . 34745 1 158 . 1 . 1 24 24 GLN CB C 13 31.476 0.3 . 1 . . . . A 24 GLN CB . 34745 1 159 . 1 . 1 24 24 GLN CG C 13 33.834 0.3 . 1 . . . . A 24 GLN CG . 34745 1 160 . 1 . 1 24 24 GLN N N 15 123.366 0.3 . 1 . . . . A 24 GLN N . 34745 1 161 . 1 . 1 24 24 GLN NE2 N 15 112.160 0.3 . 1 . . . . A 24 GLN NE2 . 34745 1 162 . 1 . 1 25 25 ARG H H 1 9.046 0.020 . 1 . . . . A 25 ARG H . 34745 1 163 . 1 . 1 25 25 ARG HA H 1 4.401 0.020 . 1 . . . . A 25 ARG HA . 34745 1 164 . 1 . 1 25 25 ARG HB2 H 1 1.378 0.020 . 1 . . . . A 25 ARG HB2 . 34745 1 165 . 1 . 1 25 25 ARG HB3 H 1 1.378 0.020 . 1 . . . . A 25 ARG HB3 . 34745 1 166 . 1 . 1 25 25 ARG HG2 H 1 1.756 0.020 . 1 . . . . A 25 ARG HG2 . 34745 1 167 . 1 . 1 25 25 ARG HG3 H 1 1.756 0.020 . 1 . . . . A 25 ARG HG3 . 34745 1 168 . 1 . 1 25 25 ARG HD2 H 1 2.834 0.020 . 1 . . . . A 25 ARG HD2 . 34745 1 169 . 1 . 1 25 25 ARG HD3 H 1 2.834 0.020 . 1 . . . . A 25 ARG HD3 . 34745 1 170 . 1 . 1 25 25 ARG HE H 1 9.326 0.020 . 1 . . . . A 25 ARG HE . 34745 1 171 . 1 . 1 25 25 ARG HH21 H 1 7.958 0.020 . 1 . . . . A 25 ARG HH21 . 34745 1 172 . 1 . 1 25 25 ARG HH22 H 1 7.958 0.020 . 1 . . . . A 25 ARG HH22 . 34745 1 173 . 1 . 1 25 25 ARG C C 13 178.705 0.3 . 1 . . . . A 25 ARG C . 34745 1 174 . 1 . 1 25 25 ARG CA C 13 57.718 0.3 . 1 . . . . A 25 ARG CA . 34745 1 175 . 1 . 1 25 25 ARG CB C 13 30.563 0.3 . 1 . . . . A 25 ARG CB . 34745 1 176 . 1 . 1 25 25 ARG N N 15 126.998 0.3 . 1 . . . . A 25 ARG N . 34745 1 177 . 1 . 1 25 25 ARG NE N 15 84.975 0.3 . 1 . . . . A 25 ARG NE . 34745 1 178 . 1 . 1 26 26 LYS H H 1 9.117 0.020 . 1 . . . . A 26 LYS H . 34745 1 179 . 1 . 1 26 26 LYS HA H 1 4.400 0.020 . 1 . . . . A 26 LYS HA . 34745 1 180 . 1 . 1 26 26 LYS HB2 H 1 1.870 0.020 . 1 . . . . A 26 LYS HB2 . 34745 1 181 . 1 . 1 26 26 LYS HB3 H 1 1.870 0.020 . 1 . . . . A 26 LYS HB3 . 34745 1 182 . 1 . 1 26 26 LYS C C 13 176.280 0.3 . 1 . . . . A 26 LYS C . 34745 1 183 . 1 . 1 26 26 LYS CA C 13 57.358 0.3 . 1 . . . . A 26 LYS CA . 34745 1 184 . 1 . 1 26 26 LYS CB C 13 34.438 0.3 . 1 . . . . A 26 LYS CB . 34745 1 185 . 1 . 1 26 26 LYS CG C 13 24.765 0.3 . 1 . . . . A 26 LYS CG . 34745 1 186 . 1 . 1 26 26 LYS CD C 13 29.028 0.3 . 1 . . . . A 26 LYS CD . 34745 1 187 . 1 . 1 26 26 LYS CE C 13 42.110 0.3 . 1 . . . . A 26 LYS CE . 34745 1 188 . 1 . 1 26 26 LYS N N 15 124.025 0.3 . 1 . . . . A 26 LYS N . 34745 1 189 . 1 . 1 27 27 SER H H 1 8.380 0.020 . 1 . . . . A 27 SER H . 34745 1 190 . 1 . 1 27 27 SER HA H 1 4.685 0.020 . 1 . . . . A 27 SER HA . 34745 1 191 . 1 . 1 27 27 SER HB2 H 1 3.847 0.020 . 1 . . . . A 27 SER HB2 . 34745 1 192 . 1 . 1 27 27 SER HB3 H 1 3.847 0.020 . 1 . . . . A 27 SER HB3 . 34745 1 193 . 1 . 1 27 27 SER C C 13 171.555 0.3 . 1 . . . . A 27 SER C . 34745 1 194 . 1 . 1 27 27 SER CA C 13 57.578 0.3 . 1 . . . . A 27 SER CA . 34745 1 195 . 1 . 1 27 27 SER CB C 13 66.028 0.3 . 1 . . . . A 27 SER CB . 34745 1 196 . 1 . 1 27 27 SER N N 15 115.990 0.3 . 1 . . . . A 27 SER N . 34745 1 197 . 1 . 1 28 28 GLY H H 1 8.042 0.020 . 1 . . . . A 28 GLY H . 34745 1 198 . 1 . 1 28 28 GLY HA2 H 1 4.393 0.020 . 2 . . . . A 28 GLY HA2 . 34745 1 199 . 1 . 1 28 28 GLY HA3 H 1 4.404 0.020 . 2 . . . . A 28 GLY HA3 . 34745 1 200 . 1 . 1 28 28 GLY C C 13 175.906 0.3 . 1 . . . . A 28 GLY C . 34745 1 201 . 1 . 1 28 28 GLY CA C 13 43.838 0.3 . 1 . . . . A 28 GLY CA . 34745 1 202 . 1 . 1 28 28 GLY N N 15 102.513 0.3 . 1 . . . . A 28 GLY N . 34745 1 203 . 1 . 1 29 29 ARG H H 1 8.863 0.020 . 1 . . . . A 29 ARG H . 34745 1 204 . 1 . 1 29 29 ARG HA H 1 4.036 0.020 . 1 . . . . A 29 ARG HA . 34745 1 205 . 1 . 1 29 29 ARG HB2 H 1 1.888 0.020 . 1 . . . . A 29 ARG HB2 . 34745 1 206 . 1 . 1 29 29 ARG HB3 H 1 1.888 0.020 . 1 . . . . A 29 ARG HB3 . 34745 1 207 . 1 . 1 29 29 ARG C C 13 178.105 0.3 . 1 . . . . A 29 ARG C . 34745 1 208 . 1 . 1 29 29 ARG CA C 13 59.116 0.3 . 1 . . . . A 29 ARG CA . 34745 1 209 . 1 . 1 29 29 ARG CB C 13 29.974 0.3 . 1 . . . . A 29 ARG CB . 34745 1 210 . 1 . 1 29 29 ARG CG C 13 27.568 0.3 . 1 . . . . A 29 ARG CG . 34745 1 211 . 1 . 1 29 29 ARG CD C 13 43.479 0.3 . 1 . . . . A 29 ARG CD . 34745 1 212 . 1 . 1 29 29 ARG N N 15 122.255 0.3 . 1 . . . . A 29 ARG N . 34745 1 213 . 1 . 1 30 30 SER H H 1 8.725 0.020 . 1 . . . . A 30 SER H . 34745 1 214 . 1 . 1 30 30 SER HA H 1 4.254 0.020 . 1 . . . . A 30 SER HA . 34745 1 215 . 1 . 1 30 30 SER HB2 H 1 3.650 0.020 . 1 . . . . A 30 SER HB2 . 34745 1 216 . 1 . 1 30 30 SER C C 13 172.456 0.3 . 1 . . . . A 30 SER C . 34745 1 217 . 1 . 1 30 30 SER CA C 13 57.438 0.3 . 1 . . . . A 30 SER CA . 34745 1 218 . 1 . 1 30 30 SER CB C 13 62.995 0.3 . 1 . . . . A 30 SER CB . 34745 1 219 . 1 . 1 30 30 SER N N 15 111.924 0.3 . 1 . . . . A 30 SER N . 34745 1 220 . 1 . 1 31 31 ALA H H 1 6.844 0.020 . 1 . . . . A 31 ALA H . 34745 1 221 . 1 . 1 31 31 ALA HA H 1 3.340 0.020 . 1 . . . . A 31 ALA HA . 34745 1 222 . 1 . 1 31 31 ALA HB1 H 1 1.080 0.020 . 1 . . . . A 31 ALA HB1 . 34745 1 223 . 1 . 1 31 31 ALA HB2 H 1 1.080 0.020 . 1 . . . . A 31 ALA HB2 . 34745 1 224 . 1 . 1 31 31 ALA HB3 H 1 1.080 0.020 . 1 . . . . A 31 ALA HB3 . 34745 1 225 . 1 . 1 31 31 ALA C C 13 177.959 0.3 . 1 . . . . A 31 ALA C . 34745 1 226 . 1 . 1 31 31 ALA CA C 13 54.281 0.3 . 1 . . . . A 31 ALA CA . 34745 1 227 . 1 . 1 31 31 ALA CB C 13 17.749 0.3 . 1 . . . . A 31 ALA CB . 34745 1 228 . 1 . 1 31 31 ALA N N 15 123.312 0.3 . 1 . . . . A 31 ALA N . 34745 1 229 . 1 . 1 32 32 GLY H H 1 8.313 0.020 . 1 . . . . A 32 GLY H . 34745 1 230 . 1 . 1 32 32 GLY HA2 H 1 4.379 0.020 . 1 . . . . A 32 GLY HA2 . 34745 1 231 . 1 . 1 32 32 GLY HA3 H 1 4.379 0.020 . 1 . . . . A 32 GLY HA3 . 34745 1 232 . 1 . 1 32 32 GLY C C 13 174.647 0.3 . 1 . . . . A 32 GLY C . 34745 1 233 . 1 . 1 32 32 GLY CA C 13 44.514 0.3 . 1 . . . . A 32 GLY CA . 34745 1 234 . 1 . 1 32 32 GLY N N 15 111.042 0.3 . 1 . . . . A 32 GLY N . 34745 1 235 . 1 . 1 33 33 LYS H H 1 7.890 0.020 . 1 . . . . A 33 LYS H . 34745 1 236 . 1 . 1 33 33 LYS HA H 1 4.328 0.020 . 1 . . . . A 33 LYS HA . 34745 1 237 . 1 . 1 33 33 LYS HB2 H 1 2.667 0.020 . 1 . . . . A 33 LYS HB2 . 34745 1 238 . 1 . 1 33 33 LYS HD2 H 1 2.667 0.020 . 1 . . . . A 33 LYS HD2 . 34745 1 239 . 1 . 1 33 33 LYS C C 13 174.702 0.3 . 1 . . . . A 33 LYS C . 34745 1 240 . 1 . 1 33 33 LYS CA C 13 61.465 0.3 . 1 . . . . A 33 LYS CA . 34745 1 241 . 1 . 1 33 33 LYS CB C 13 39.036 0.3 . 1 . . . . A 33 LYS CB . 34745 1 242 . 1 . 1 33 33 LYS N N 15 121.631 0.3 . 1 . . . . A 33 LYS N . 34745 1 243 . 1 . 1 34 34 TYR H H 1 7.626 0.020 . 1 . . . . A 34 TYR H . 34745 1 244 . 1 . 1 34 34 TYR HA H 1 4.931 0.020 . 1 . . . . A 34 TYR HA . 34745 1 245 . 1 . 1 34 34 TYR HB2 H 1 2.564 0.020 . 1 . . . . A 34 TYR HB2 . 34745 1 246 . 1 . 1 34 34 TYR HB3 H 1 2.564 0.020 . 1 . . . . A 34 TYR HB3 . 34745 1 247 . 1 . 1 34 34 TYR C C 13 175.238 0.3 . 1 . . . . A 34 TYR C . 34745 1 248 . 1 . 1 34 34 TYR CA C 13 52.844 0.3 . 1 . . . . A 34 TYR CA . 34745 1 249 . 1 . 1 34 34 TYR CB C 13 43.760 0.3 . 1 . . . . A 34 TYR CB . 34745 1 250 . 1 . 1 34 34 TYR N N 15 116.930 0.3 . 1 . . . . A 34 TYR N . 34745 1 251 . 1 . 1 35 35 ASP H H 1 8.767 0.020 . 1 . . . . A 35 ASP H . 34745 1 252 . 1 . 1 35 35 ASP HA H 1 5.254 0.020 . 1 . . . . A 35 ASP HA . 34745 1 253 . 1 . 1 35 35 ASP HB2 H 1 1.781 0.020 . 1 . . . . A 35 ASP HB2 . 34745 1 254 . 1 . 1 35 35 ASP HB3 H 1 1.781 0.020 . 1 . . . . A 35 ASP HB3 . 34745 1 255 . 1 . 1 35 35 ASP C C 13 174.112 0.3 . 1 . . . . A 35 ASP C . 34745 1 256 . 1 . 1 35 35 ASP CA C 13 50.147 0.3 . 1 . . . . A 35 ASP CA . 34745 1 257 . 1 . 1 35 35 ASP CB C 13 45.519 0.3 . 1 . . . . A 35 ASP CB . 34745 1 258 . 1 . 1 35 35 ASP N N 15 118.633 0.3 . 1 . . . . A 35 ASP N . 34745 1 259 . 1 . 1 36 36 ALA H H 1 9.489 0.020 . 1 . . . . A 36 ALA H . 34745 1 260 . 1 . 1 36 36 ALA HA H 1 5.306 0.020 . 1 . . . . A 36 ALA HA . 34745 1 261 . 1 . 1 36 36 ALA HB1 H 1 1.197 0.020 . 1 . . . . A 36 ALA HB1 . 34745 1 262 . 1 . 1 36 36 ALA HB2 H 1 1.197 0.020 . 1 . . . . A 36 ALA HB2 . 34745 1 263 . 1 . 1 36 36 ALA HB3 H 1 1.197 0.020 . 1 . . . . A 36 ALA HB3 . 34745 1 264 . 1 . 1 36 36 ALA CA C 13 50.926 0.3 . 1 . . . . A 36 ALA CA . 34745 1 265 . 1 . 1 36 36 ALA CB C 13 20.840 0.3 . 1 . . . . A 36 ALA CB . 34745 1 266 . 1 . 1 36 36 ALA N N 15 126.489 0.3 . 1 . . . . A 36 ALA N . 34745 1 267 . 1 . 1 37 37 TYR H H 1 9.021 0.020 . 1 . . . . A 37 TYR H . 34745 1 268 . 1 . 1 37 37 TYR HA H 1 5.236 0.020 . 1 . . . . A 37 TYR HA . 34745 1 269 . 1 . 1 37 37 TYR HB2 H 1 2.834 0.020 . 1 . . . . A 37 TYR HB2 . 34745 1 270 . 1 . 1 37 37 TYR HB3 H 1 2.834 0.020 . 1 . . . . A 37 TYR HB3 . 34745 1 271 . 1 . 1 37 37 TYR CA C 13 56.080 0.3 . 1 . . . . A 37 TYR CA . 34745 1 272 . 1 . 1 37 37 TYR N N 15 117.595 0.3 . 1 . . . . A 37 TYR N . 34745 1 273 . 1 . 1 38 38 LEU H H 1 9.189 0.020 . 1 . . . . A 38 LEU H . 34745 1 274 . 1 . 1 38 38 LEU HA H 1 5.514 0.020 . 1 . . . . A 38 LEU HA . 34745 1 275 . 1 . 1 38 38 LEU HB2 H 1 1.902 0.020 . 1 . . . . A 38 LEU HB2 . 34745 1 276 . 1 . 1 38 38 LEU HD11 H 1 0.205 0.020 . 1 . . . . A 38 LEU HD11 . 34745 1 277 . 1 . 1 38 38 LEU HD12 H 1 0.205 0.020 . 1 . . . . A 38 LEU HD12 . 34745 1 278 . 1 . 1 38 38 LEU HD13 H 1 0.205 0.020 . 1 . . . . A 38 LEU HD13 . 34745 1 279 . 1 . 1 38 38 LEU C C 13 175.790 0.3 . 1 . . . . A 38 LEU C . 34745 1 280 . 1 . 1 38 38 LEU CA C 13 53.530 0.3 . 1 . . . . A 38 LEU CA . 34745 1 281 . 1 . 1 38 38 LEU CB C 13 43.152 0.3 . 1 . . . . A 38 LEU CB . 34745 1 282 . 1 . 1 38 38 LEU N N 15 121.616 0.3 . 1 . . . . A 38 LEU N . 34745 1 283 . 1 . 1 39 39 ILE H H 1 9.574 0.020 . 1 . . . . A 39 ILE H . 34745 1 284 . 1 . 1 39 39 ILE HA H 1 5.043 0.020 . 1 . . . . A 39 ILE HA . 34745 1 285 . 1 . 1 39 39 ILE HB H 1 1.901 0.020 . 1 . . . . A 39 ILE HB . 34745 1 286 . 1 . 1 39 39 ILE HD11 H 1 0.717 0.020 . 1 . . . . A 39 ILE HD11 . 34745 1 287 . 1 . 1 39 39 ILE HD12 H 1 0.717 0.020 . 1 . . . . A 39 ILE HD12 . 34745 1 288 . 1 . 1 39 39 ILE HD13 H 1 0.717 0.020 . 1 . . . . A 39 ILE HD13 . 34745 1 289 . 1 . 1 39 39 ILE C C 13 176.368 0.3 . 1 . . . . A 39 ILE C . 34745 1 290 . 1 . 1 39 39 ILE CA C 13 58.933 0.3 . 1 . . . . A 39 ILE CA . 34745 1 291 . 1 . 1 39 39 ILE CB C 13 38.091 0.3 . 1 . . . . A 39 ILE CB . 34745 1 292 . 1 . 1 39 39 ILE CD1 C 13 12.627 0.3 . 1 . . . . A 39 ILE CD1 . 34745 1 293 . 1 . 1 39 39 ILE N N 15 124.317 0.3 . 1 . . . . A 39 ILE N . 34745 1 294 . 1 . 1 40 40 ASN H H 1 8.442 0.020 . 1 . . . . A 40 ASN H . 34745 1 295 . 1 . 1 40 40 ASN HA H 1 3.186 0.020 . 1 . . . . A 40 ASN HA . 34745 1 296 . 1 . 1 40 40 ASN HB2 H 1 1.697 0.020 . 2 . . . . A 40 ASN HB2 . 34745 1 297 . 1 . 1 40 40 ASN HB3 H 1 2.176 0.020 . 2 . . . . A 40 ASN HB3 . 34745 1 298 . 1 . 1 40 40 ASN HD21 H 1 6.685 0.020 . 1 . . . . A 40 ASN HD21 . 34745 1 299 . 1 . 1 40 40 ASN HD22 H 1 6.741 0.020 . 1 . . . . A 40 ASN HD22 . 34745 1 300 . 1 . 1 40 40 ASN CA C 13 51.133 0.3 . 1 . . . . A 40 ASN CA . 34745 1 301 . 1 . 1 40 40 ASN CB C 13 36.538 0.3 . 1 . . . . A 40 ASN CB . 34745 1 302 . 1 . 1 40 40 ASN N N 15 126.442 0.3 . 1 . . . . A 40 ASN N . 34745 1 303 . 1 . 1 40 40 ASN ND2 N 15 108.588 0.3 . 1 . . . . A 40 ASN ND2 . 34745 1 304 . 1 . 1 41 41 PRO HA H 1 4.221 0.020 . 1 . . . . A 41 PRO HA . 34745 1 305 . 1 . 1 41 41 PRO HB2 H 1 2.374 0.020 . 2 . . . . A 41 PRO HB2 . 34745 1 306 . 1 . 1 41 41 PRO HB3 H 1 1.733 0.020 . 2 . . . . A 41 PRO HB3 . 34745 1 307 . 1 . 1 41 41 PRO C C 13 180.431 0.3 . 1 . . . . A 41 PRO C . 34745 1 308 . 1 . 1 41 41 PRO CA C 13 65.130 0.3 . 1 . . . . A 41 PRO CA . 34745 1 309 . 1 . 1 41 41 PRO CB C 13 29.953 0.3 . 1 . . . . A 41 PRO CB . 34745 1 310 . 1 . 1 42 42 GLN H H 1 6.902 0.020 . 1 . . . . A 42 GLN H . 34745 1 311 . 1 . 1 42 42 GLN HA H 1 4.275 0.020 . 1 . . . . A 42 GLN HA . 34745 1 312 . 1 . 1 42 42 GLN HB2 H 1 1.991 0.020 . 1 . . . . A 42 GLN HB2 . 34745 1 313 . 1 . 1 42 42 GLN HB3 H 1 1.991 0.020 . 1 . . . . A 42 GLN HB3 . 34745 1 314 . 1 . 1 42 42 GLN HE21 H 1 7.507 0.020 . 1 . . . . A 42 GLN HE21 . 34745 1 315 . 1 . 1 42 42 GLN HE22 H 1 6.903 0.020 . 1 . . . . A 42 GLN HE22 . 34745 1 316 . 1 . 1 42 42 GLN C C 13 176.224 0.3 . 1 . . . . A 42 GLN C . 34745 1 317 . 1 . 1 42 42 GLN CA C 13 56.076 0.3 . 1 . . . . A 42 GLN CA . 34745 1 318 . 1 . 1 42 42 GLN CB C 13 28.440 0.3 . 1 . . . . A 42 GLN CB . 34745 1 319 . 1 . 1 42 42 GLN N N 15 112.837 0.3 . 1 . . . . A 42 GLN N . 34745 1 320 . 1 . 1 42 42 GLN NE2 N 15 112.448 0.3 . 1 . . . . A 42 GLN NE2 . 34745 1 321 . 1 . 1 43 43 GLY H H 1 8.101 0.020 . 1 . . . . A 43 GLY H . 34745 1 322 . 1 . 1 43 43 GLY HA2 H 1 3.390 0.020 . 2 . . . . A 43 GLY HA2 . 34745 1 323 . 1 . 1 43 43 GLY HA3 H 1 4.103 0.020 . 2 . . . . A 43 GLY HA3 . 34745 1 324 . 1 . 1 43 43 GLY C C 13 173.668 0.3 . 1 . . . . A 43 GLY C . 34745 1 325 . 1 . 1 43 43 GLY CA C 13 45.312 0.3 . 1 . . . . A 43 GLY CA . 34745 1 326 . 1 . 1 43 43 GLY N N 15 108.515 0.3 . 1 . . . . A 43 GLY N . 34745 1 327 . 1 . 1 44 44 LYS H H 1 7.707 0.020 . 1 . . . . A 44 LYS H . 34745 1 328 . 1 . 1 44 44 LYS HA H 1 4.016 0.020 . 1 . . . . A 44 LYS HA . 34745 1 329 . 1 . 1 44 44 LYS HB2 H 1 1.274 0.020 . 2 . . . . A 44 LYS HB2 . 34745 1 330 . 1 . 1 44 44 LYS HB3 H 1 1.255 0.020 . 2 . . . . A 44 LYS HB3 . 34745 1 331 . 1 . 1 44 44 LYS C C 13 173.318 0.3 . 1 . . . . A 44 LYS C . 34745 1 332 . 1 . 1 44 44 LYS CA C 13 55.171 0.3 . 1 . . . . A 44 LYS CA . 34745 1 333 . 1 . 1 44 44 LYS CB C 13 32.013 0.3 . 1 . . . . A 44 LYS CB . 34745 1 334 . 1 . 1 44 44 LYS N N 15 123.546 0.3 . 1 . . . . A 44 LYS N . 34745 1 335 . 1 . 1 45 45 ALA H H 1 8.009 0.020 . 1 . . . . A 45 ALA H . 34745 1 336 . 1 . 1 45 45 ALA HA H 1 5.076 0.020 . 1 . . . . A 45 ALA HA . 34745 1 337 . 1 . 1 45 45 ALA HB1 H 1 1.197 0.020 . 1 . . . . A 45 ALA HB1 . 34745 1 338 . 1 . 1 45 45 ALA HB2 H 1 1.197 0.020 . 1 . . . . A 45 ALA HB2 . 34745 1 339 . 1 . 1 45 45 ALA HB3 H 1 1.197 0.020 . 1 . . . . A 45 ALA HB3 . 34745 1 340 . 1 . 1 45 45 ALA C C 13 177.177 0.3 . 1 . . . . A 45 ALA C . 34745 1 341 . 1 . 1 45 45 ALA CA C 13 50.467 0.3 . 1 . . . . A 45 ALA CA . 34745 1 342 . 1 . 1 45 45 ALA CB C 13 21.723 0.3 . 1 . . . . A 45 ALA CB . 34745 1 343 . 1 . 1 45 45 ALA N N 15 126.067 0.3 . 1 . . . . A 45 ALA N . 34745 1 344 . 1 . 1 46 46 PHE H H 1 9.663 0.020 . 1 . . . . A 46 PHE H . 34745 1 345 . 1 . 1 46 46 PHE HA H 1 4.941 0.020 . 1 . . . . A 46 PHE HA . 34745 1 346 . 1 . 1 46 46 PHE HB2 H 1 3.161 0.020 . 1 . . . . A 46 PHE HB2 . 34745 1 347 . 1 . 1 46 46 PHE HB3 H 1 3.161 0.020 . 1 . . . . A 46 PHE HB3 . 34745 1 348 . 1 . 1 46 46 PHE C C 13 176.433 0.3 . 1 . . . . A 46 PHE C . 34745 1 349 . 1 . 1 46 46 PHE CA C 13 57.398 0.3 . 1 . . . . A 46 PHE CA . 34745 1 350 . 1 . 1 46 46 PHE CB C 13 42.980 0.3 . 1 . . . . A 46 PHE CB . 34745 1 351 . 1 . 1 46 46 PHE N N 15 119.213 0.3 . 1 . . . . A 46 PHE N . 34745 1 352 . 1 . 1 47 47 ARG H H 1 9.563 0.020 . 1 . . . . A 47 ARG H . 34745 1 353 . 1 . 1 47 47 ARG HA H 1 4.829 0.020 . 1 . . . . A 47 ARG HA . 34745 1 354 . 1 . 1 47 47 ARG HB2 H 1 1.760 0.020 . 1 . . . . A 47 ARG HB2 . 34745 1 355 . 1 . 1 47 47 ARG HB3 H 1 1.760 0.020 . 1 . . . . A 47 ARG HB3 . 34745 1 356 . 1 . 1 47 47 ARG C C 13 175.399 0.3 . 1 . . . . A 47 ARG C . 34745 1 357 . 1 . 1 47 47 ARG CA C 13 55.960 0.3 . 1 . . . . A 47 ARG CA . 34745 1 358 . 1 . 1 47 47 ARG CB C 13 32.427 0.3 . 1 . . . . A 47 ARG CB . 34745 1 359 . 1 . 1 47 47 ARG N N 15 118.899 0.3 . 1 . . . . A 47 ARG N . 34745 1 360 . 1 . 1 48 48 ASN H H 1 7.110 0.020 . 1 . . . . A 48 ASN H . 34745 1 361 . 1 . 1 48 48 ASN HA H 1 4.593 0.020 . 1 . . . . A 48 ASN HA . 34745 1 362 . 1 . 1 48 48 ASN HB2 H 1 2.948 0.020 . 1 . . . . A 48 ASN HB2 . 34745 1 363 . 1 . 1 48 48 ASN HB3 H 1 2.948 0.020 . 1 . . . . A 48 ASN HB3 . 34745 1 364 . 1 . 1 48 48 ASN HD21 H 1 7.241 0.020 . 1 . . . . A 48 ASN HD21 . 34745 1 365 . 1 . 1 48 48 ASN HD22 H 1 7.168 0.020 . 1 . . . . A 48 ASN HD22 . 34745 1 366 . 1 . 1 48 48 ASN C C 13 173.338 0.3 . 1 . . . . A 48 ASN C . 34745 1 367 . 1 . 1 48 48 ASN CA C 13 51.625 0.3 . 1 . . . . A 48 ASN CA . 34745 1 368 . 1 . 1 48 48 ASN CB C 13 40.336 0.3 . 1 . . . . A 48 ASN CB . 34745 1 369 . 1 . 1 48 48 ASN N N 15 111.331 0.3 . 1 . . . . A 48 ASN N . 34745 1 370 . 1 . 1 48 48 ASN ND2 N 15 114.900 0.3 . 1 . . . . A 48 ASN ND2 . 34745 1 371 . 1 . 1 49 49 LYS H H 1 8.879 0.020 . 1 . . . . A 49 LYS H . 34745 1 372 . 1 . 1 49 49 LYS HA H 1 4.763 0.020 . 1 . . . . A 49 LYS HA . 34745 1 373 . 1 . 1 49 49 LYS HB2 H 1 1.961 0.020 . 1 . . . . A 49 LYS HB2 . 34745 1 374 . 1 . 1 49 49 LYS HB3 H 1 1.961 0.020 . 1 . . . . A 49 LYS HB3 . 34745 1 375 . 1 . 1 49 49 LYS C C 13 177.722 0.3 . 1 . . . . A 49 LYS C . 34745 1 376 . 1 . 1 49 49 LYS CA C 13 58.557 0.3 . 1 . . . . A 49 LYS CA . 34745 1 377 . 1 . 1 49 49 LYS CB C 13 32.305 0.3 . 1 . . . . A 49 LYS CB . 34745 1 378 . 1 . 1 49 49 LYS N N 15 117.273 0.3 . 1 . . . . A 49 LYS N . 34745 1 379 . 1 . 1 50 50 VAL H H 1 7.610 0.020 . 1 . . . . A 50 VAL H . 34745 1 380 . 1 . 1 50 50 VAL HA H 1 3.628 0.020 . 1 . . . . A 50 VAL HA . 34745 1 381 . 1 . 1 50 50 VAL HB H 1 2.243 0.020 . 1 . . . . A 50 VAL HB . 34745 1 382 . 1 . 1 50 50 VAL HG21 H 1 1.004 0.020 . 1 . . . . A 50 VAL HG21 . 34745 1 383 . 1 . 1 50 50 VAL HG22 H 1 1.004 0.020 . 1 . . . . A 50 VAL HG22 . 34745 1 384 . 1 . 1 50 50 VAL HG23 H 1 1.004 0.020 . 1 . . . . A 50 VAL HG23 . 34745 1 385 . 1 . 1 50 50 VAL C C 13 178.897 0.3 . 1 . . . . A 50 VAL C . 34745 1 386 . 1 . 1 50 50 VAL CA C 13 66.778 0.3 . 1 . . . . A 50 VAL CA . 34745 1 387 . 1 . 1 50 50 VAL CB C 13 31.132 0.3 . 1 . . . . A 50 VAL CB . 34745 1 388 . 1 . 1 50 50 VAL N N 15 122.400 0.3 . 1 . . . . A 50 VAL N . 34745 1 389 . 1 . 1 51 51 GLU H H 1 7.907 0.020 . 1 . . . . A 51 GLU H . 34745 1 390 . 1 . 1 51 51 GLU HA H 1 4.135 0.020 . 1 . . . . A 51 GLU HA . 34745 1 391 . 1 . 1 51 51 GLU HB2 H 1 2.396 0.020 . 1 . . . . A 51 GLU HB2 . 34745 1 392 . 1 . 1 51 51 GLU HB3 H 1 2.396 0.020 . 1 . . . . A 51 GLU HB3 . 34745 1 393 . 1 . 1 51 51 GLU C C 13 180.207 0.3 . 1 . . . . A 51 GLU C . 34745 1 394 . 1 . 1 51 51 GLU CA C 13 58.737 0.3 . 1 . . . . A 51 GLU CA . 34745 1 395 . 1 . 1 51 51 GLU CB C 13 30.881 0.3 . 1 . . . . A 51 GLU CB . 34745 1 396 . 1 . 1 51 51 GLU N N 15 119.779 0.3 . 1 . . . . A 51 GLU N . 34745 1 397 . 1 . 1 52 52 LEU H H 1 7.306 0.020 . 1 . . . . A 52 LEU H . 34745 1 398 . 1 . 1 52 52 LEU HA H 1 3.490 0.020 . 1 . . . . A 52 LEU HA . 34745 1 399 . 1 . 1 52 52 LEU HB2 H 1 1.380 0.020 . 2 . . . . A 52 LEU HB2 . 34745 1 400 . 1 . 1 52 52 LEU HB3 H 1 1.383 0.020 . 2 . . . . A 52 LEU HB3 . 34745 1 401 . 1 . 1 52 52 LEU C C 13 177.071 0.3 . 1 . . . . A 52 LEU C . 34745 1 402 . 1 . 1 52 52 LEU CA C 13 57.559 0.3 . 1 . . . . A 52 LEU CA . 34745 1 403 . 1 . 1 52 52 LEU CB C 13 42.116 0.3 . 1 . . . . A 52 LEU CB . 34745 1 404 . 1 . 1 52 52 LEU N N 15 119.956 0.3 . 1 . . . . A 52 LEU N . 34745 1 405 . 1 . 1 53 53 ILE H H 1 8.391 0.020 . 1 . . . . A 53 ILE H . 34745 1 406 . 1 . 1 53 53 ILE HA H 1 3.590 0.020 . 1 . . . . A 53 ILE HA . 34745 1 407 . 1 . 1 53 53 ILE HB H 1 1.820 0.020 . 1 . . . . A 53 ILE HB . 34745 1 408 . 1 . 1 53 53 ILE HD11 H 1 0.939 0.020 . 1 . . . . A 53 ILE HD11 . 34745 1 409 . 1 . 1 53 53 ILE HD12 H 1 0.939 0.020 . 1 . . . . A 53 ILE HD12 . 34745 1 410 . 1 . 1 53 53 ILE HD13 H 1 0.939 0.020 . 1 . . . . A 53 ILE HD13 . 34745 1 411 . 1 . 1 53 53 ILE C C 13 178.567 0.3 . 1 . . . . A 53 ILE C . 34745 1 412 . 1 . 1 53 53 ILE CA C 13 65.972 0.3 . 1 . . . . A 53 ILE CA . 34745 1 413 . 1 . 1 53 53 ILE CB C 13 38.542 0.3 . 1 . . . . A 53 ILE CB . 34745 1 414 . 1 . 1 53 53 ILE CD1 C 13 13.835 0.3 . 1 . . . . A 53 ILE CD1 . 34745 1 415 . 1 . 1 53 53 ILE N N 15 118.983 0.3 . 1 . . . . A 53 ILE N . 34745 1 416 . 1 . 1 54 54 ALA H H 1 7.628 0.020 . 1 . . . . A 54 ALA H . 34745 1 417 . 1 . 1 54 54 ALA HA H 1 4.244 0.020 . 1 . . . . A 54 ALA HA . 34745 1 418 . 1 . 1 54 54 ALA HB1 H 1 1.585 0.020 . 1 . . . . A 54 ALA HB1 . 34745 1 419 . 1 . 1 54 54 ALA HB2 H 1 1.585 0.020 . 1 . . . . A 54 ALA HB2 . 34745 1 420 . 1 . 1 54 54 ALA HB3 H 1 1.585 0.020 . 1 . . . . A 54 ALA HB3 . 34745 1 421 . 1 . 1 54 54 ALA C C 13 180.420 0.3 . 1 . . . . A 54 ALA C . 34745 1 422 . 1 . 1 54 54 ALA CA C 13 54.822 0.3 . 1 . . . . A 54 ALA CA . 34745 1 423 . 1 . 1 54 54 ALA CB C 13 17.741 0.3 . 1 . . . . A 54 ALA CB . 34745 1 424 . 1 . 1 54 54 ALA N N 15 120.116 0.3 . 1 . . . . A 54 ALA N . 34745 1 425 . 1 . 1 55 55 TYR H H 1 7.798 0.020 . 1 . . . . A 55 TYR H . 34745 1 426 . 1 . 1 55 55 TYR HA H 1 4.230 0.020 . 1 . . . . A 55 TYR HA . 34745 1 427 . 1 . 1 55 55 TYR HB2 H 1 3.088 0.020 . 1 . . . . A 55 TYR HB2 . 34745 1 428 . 1 . 1 55 55 TYR HB3 H 1 3.088 0.020 . 1 . . . . A 55 TYR HB3 . 34745 1 429 . 1 . 1 55 55 TYR C C 13 177.039 0.3 . 1 . . . . A 55 TYR C . 34745 1 430 . 1 . 1 55 55 TYR CA C 13 61.546 0.3 . 1 . . . . A 55 TYR CA . 34745 1 431 . 1 . 1 55 55 TYR CB C 13 37.460 0.3 . 1 . . . . A 55 TYR CB . 34745 1 432 . 1 . 1 55 55 TYR N N 15 120.376 0.3 . 1 . . . . A 55 TYR N . 34745 1 433 . 1 . 1 56 56 PHE H H 1 8.163 0.020 . 1 . . . . A 56 PHE H . 34745 1 434 . 1 . 1 56 56 PHE HA H 1 4.520 0.020 . 1 . . . . A 56 PHE HA . 34745 1 435 . 1 . 1 56 56 PHE HB2 H 1 3.209 0.020 . 2 . . . . A 56 PHE HB2 . 34745 1 436 . 1 . 1 56 56 PHE HB3 H 1 3.303 0.020 . 2 . . . . A 56 PHE HB3 . 34745 1 437 . 1 . 1 56 56 PHE C C 13 179.444 0.3 . 1 . . . . A 56 PHE C . 34745 1 438 . 1 . 1 56 56 PHE CA C 13 58.103 0.3 . 1 . . . . A 56 PHE CA . 34745 1 439 . 1 . 1 56 56 PHE CB C 13 36.123 0.3 . 1 . . . . A 56 PHE CB . 34745 1 440 . 1 . 1 56 56 PHE N N 15 117.468 0.3 . 1 . . . . A 56 PHE N . 34745 1 441 . 1 . 1 57 57 GLU H H 1 8.389 0.020 . 1 . . . . A 57 GLU H . 34745 1 442 . 1 . 1 57 57 GLU HA H 1 4.099 0.020 . 1 . . . . A 57 GLU HA . 34745 1 443 . 1 . 1 57 57 GLU HB2 H 1 2.097 0.020 . 1 . . . . A 57 GLU HB2 . 34745 1 444 . 1 . 1 57 57 GLU HB3 H 1 2.097 0.020 . 1 . . . . A 57 GLU HB3 . 34745 1 445 . 1 . 1 57 57 GLU C C 13 180.403 0.3 . 1 . . . . A 57 GLU C . 34745 1 446 . 1 . 1 57 57 GLU CB C 13 29.378 0.3 . 1 . . . . A 57 GLU CB . 34745 1 447 . 1 . 1 57 57 GLU N N 15 118.419 0.3 . 1 . . . . A 57 GLU N . 34745 1 448 . 1 . 1 58 58 LYS H H 1 7.812 0.020 . 1 . . . . A 58 LYS H . 34745 1 449 . 1 . 1 58 58 LYS HA H 1 4.070 0.020 . 1 . . . . A 58 LYS HA . 34745 1 450 . 1 . 1 58 58 LYS HB2 H 1 2.041 0.020 . 1 . . . . A 58 LYS HB2 . 34745 1 451 . 1 . 1 58 58 LYS HB3 H 1 2.041 0.020 . 1 . . . . A 58 LYS HB3 . 34745 1 452 . 1 . 1 58 58 LYS C C 13 179.147 0.3 . 1 . . . . A 58 LYS C . 34745 1 453 . 1 . 1 58 58 LYS CA C 13 59.316 0.3 . 1 . . . . A 58 LYS CA . 34745 1 454 . 1 . 1 58 58 LYS CB C 13 32.490 0.3 . 1 . . . . A 58 LYS CB . 34745 1 455 . 1 . 1 58 58 LYS N N 15 121.513 0.3 . 1 . . . . A 58 LYS N . 34745 1 456 . 1 . 1 59 59 VAL H H 1 8.011 0.020 . 1 . . . . A 59 VAL H . 34745 1 457 . 1 . 1 59 59 VAL HA H 1 4.290 0.020 . 1 . . . . A 59 VAL HA . 34745 1 458 . 1 . 1 59 59 VAL HB H 1 2.309 0.020 . 1 . . . . A 59 VAL HB . 34745 1 459 . 1 . 1 59 59 VAL HG11 H 1 0.773 0.020 . 1 . . . . A 59 VAL HG11 . 34745 1 460 . 1 . 1 59 59 VAL HG12 H 1 0.773 0.020 . 1 . . . . A 59 VAL HG12 . 34745 1 461 . 1 . 1 59 59 VAL HG13 H 1 0.773 0.020 . 1 . . . . A 59 VAL HG13 . 34745 1 462 . 1 . 1 59 59 VAL HG21 H 1 0.773 0.020 . 1 . . . . A 59 VAL HG21 . 34745 1 463 . 1 . 1 59 59 VAL HG22 H 1 0.773 0.020 . 1 . . . . A 59 VAL HG22 . 34745 1 464 . 1 . 1 59 59 VAL HG23 H 1 0.773 0.020 . 1 . . . . A 59 VAL HG23 . 34745 1 465 . 1 . 1 59 59 VAL C C 13 177.063 0.3 . 1 . . . . A 59 VAL C . 34745 1 466 . 1 . 1 59 59 VAL CA C 13 61.663 0.3 . 1 . . . . A 59 VAL CA . 34745 1 467 . 1 . 1 59 59 VAL CB C 13 31.485 0.3 . 1 . . . . A 59 VAL CB . 34745 1 468 . 1 . 1 59 59 VAL N N 15 109.933 0.3 . 1 . . . . A 59 VAL N . 34745 1 469 . 1 . 1 60 60 GLY H H 1 7.787 0.020 . 1 . . . . A 60 GLY H . 34745 1 470 . 1 . 1 60 60 GLY HA2 H 1 3.967 0.020 . 2 . . . . A 60 GLY HA2 . 34745 1 471 . 1 . 1 60 60 GLY HA3 H 1 3.856 0.020 . 2 . . . . A 60 GLY HA3 . 34745 1 472 . 1 . 1 60 60 GLY C C 13 174.151 0.3 . 1 . . . . A 60 GLY C . 34745 1 473 . 1 . 1 60 60 GLY CA C 13 46.659 0.3 . 1 . . . . A 60 GLY CA . 34745 1 474 . 1 . 1 60 60 GLY N N 15 112.248 0.3 . 1 . . . . A 60 GLY N . 34745 1 475 . 1 . 1 61 61 ASP H H 1 8.107 0.020 . 1 . . . . A 61 ASP H . 34745 1 476 . 1 . 1 61 61 ASP HA H 1 4.761 0.020 . 1 . . . . A 61 ASP HA . 34745 1 477 . 1 . 1 61 61 ASP HB2 H 1 2.501 0.020 . 1 . . . . A 61 ASP HB2 . 34745 1 478 . 1 . 1 61 61 ASP HB3 H 1 2.501 0.020 . 1 . . . . A 61 ASP HB3 . 34745 1 479 . 1 . 1 61 61 ASP C C 13 176.592 0.3 . 1 . . . . A 61 ASP C . 34745 1 480 . 1 . 1 61 61 ASP CA C 13 53.650 0.3 . 1 . . . . A 61 ASP CA . 34745 1 481 . 1 . 1 61 61 ASP CB C 13 41.828 0.3 . 1 . . . . A 61 ASP CB . 34745 1 482 . 1 . 1 61 61 ASP N N 15 120.152 0.3 . 1 . . . . A 61 ASP N . 34745 1 483 . 1 . 1 62 62 THR H H 1 8.361 0.020 . 1 . . . . A 62 THR H . 34745 1 484 . 1 . 1 62 62 THR HA H 1 4.508 0.020 . 1 . . . . A 62 THR HA . 34745 1 485 . 1 . 1 62 62 THR HB H 1 4.200 0.020 . 1 . . . . A 62 THR HB . 34745 1 486 . 1 . 1 62 62 THR HG21 H 1 1.057 0.020 . 1 . . . . A 62 THR HG21 . 34745 1 487 . 1 . 1 62 62 THR HG22 H 1 1.057 0.020 . 1 . . . . A 62 THR HG22 . 34745 1 488 . 1 . 1 62 62 THR HG23 H 1 1.057 0.020 . 1 . . . . A 62 THR HG23 . 34745 1 489 . 1 . 1 62 62 THR C C 13 175.142 0.3 . 1 . . . . A 62 THR C . 34745 1 490 . 1 . 1 62 62 THR CA C 13 60.623 0.3 . 1 . . . . A 62 THR CA . 34745 1 491 . 1 . 1 62 62 THR CB C 13 68.509 0.3 . 1 . . . . A 62 THR CB . 34745 1 492 . 1 . 1 62 62 THR N N 15 116.357 0.3 . 1 . . . . A 62 THR N . 34745 1 493 . 1 . 1 63 63 SER H H 1 8.592 0.020 . 1 . . . . A 63 SER H . 34745 1 494 . 1 . 1 63 63 SER HA H 1 4.251 0.020 . 1 . . . . A 63 SER HA . 34745 1 495 . 1 . 1 63 63 SER HB2 H 1 3.853 0.020 . 1 . . . . A 63 SER HB2 . 34745 1 496 . 1 . 1 63 63 SER HB3 H 1 3.853 0.020 . 1 . . . . A 63 SER HB3 . 34745 1 497 . 1 . 1 63 63 SER C C 13 174.180 0.3 . 1 . . . . A 63 SER C . 34745 1 498 . 1 . 1 63 63 SER CA C 13 60.434 0.3 . 1 . . . . A 63 SER CA . 34745 1 499 . 1 . 1 63 63 SER CB C 13 64.276 0.3 . 1 . . . . A 63 SER CB . 34745 1 500 . 1 . 1 63 63 SER N N 15 119.019 0.3 . 1 . . . . A 63 SER N . 34745 1 501 . 1 . 1 64 64 LEU H H 1 7.684 0.020 . 1 . . . . A 64 LEU H . 34745 1 502 . 1 . 1 64 64 LEU HA H 1 4.409 0.020 . 1 . . . . A 64 LEU HA . 34745 1 503 . 1 . 1 64 64 LEU HB2 H 1 1.065 0.020 . 2 . . . . A 64 LEU HB2 . 34745 1 504 . 1 . 1 64 64 LEU HB3 H 1 1.042 0.020 . 2 . . . . A 64 LEU HB3 . 34745 1 505 . 1 . 1 64 64 LEU C C 13 174.637 0.3 . 1 . . . . A 64 LEU C . 34745 1 506 . 1 . 1 64 64 LEU CA C 13 53.449 0.3 . 1 . . . . A 64 LEU CA . 34745 1 507 . 1 . 1 64 64 LEU CB C 13 44.001 0.3 . 1 . . . . A 64 LEU CB . 34745 1 508 . 1 . 1 64 64 LEU N N 15 123.103 0.3 . 1 . . . . A 64 LEU N . 34745 1 509 . 1 . 1 65 65 ASP H H 1 8.853 0.020 . 1 . . . . A 65 ASP H . 34745 1 510 . 1 . 1 65 65 ASP HA H 1 4.971 0.020 . 1 . . . . A 65 ASP HA . 34745 1 511 . 1 . 1 65 65 ASP HB2 H 1 2.437 0.020 . 1 . . . . A 65 ASP HB2 . 34745 1 512 . 1 . 1 65 65 ASP HB3 H 1 2.437 0.020 . 1 . . . . A 65 ASP HB3 . 34745 1 513 . 1 . 1 65 65 ASP CA C 13 50.121 0.3 . 1 . . . . A 65 ASP CA . 34745 1 514 . 1 . 1 65 65 ASP CB C 13 42.366 0.3 . 1 . . . . A 65 ASP CB . 34745 1 515 . 1 . 1 65 65 ASP N N 15 122.928 0.3 . 1 . . . . A 65 ASP N . 34745 1 516 . 1 . 1 66 66 PRO HA H 1 4.435 0.020 . 1 . . . . A 66 PRO HA . 34745 1 517 . 1 . 1 66 66 PRO HB3 H 1 2.173 0.020 . 1 . . . . A 66 PRO HB3 . 34745 1 518 . 1 . 1 66 66 PRO C C 13 177.367 0.3 . 1 . . . . A 66 PRO C . 34745 1 519 . 1 . 1 66 66 PRO CA C 13 64.949 0.3 . 1 . . . . A 66 PRO CA . 34745 1 520 . 1 . 1 66 66 PRO CB C 13 32.759 0.3 . 1 . . . . A 66 PRO CB . 34745 1 521 . 1 . 1 67 67 ASN H H 1 8.973 0.020 . 1 . . . . A 67 ASN H . 34745 1 522 . 1 . 1 67 67 ASN HA H 1 4.763 0.020 . 1 . . . . A 67 ASN HA . 34745 1 523 . 1 . 1 67 67 ASN HB2 H 1 2.777 0.020 . 1 . . . . A 67 ASN HB2 . 34745 1 524 . 1 . 1 67 67 ASN HB3 H 1 2.777 0.020 . 1 . . . . A 67 ASN HB3 . 34745 1 525 . 1 . 1 67 67 ASN HD21 H 1 7.997 0.020 . 1 . . . . A 67 ASN HD21 . 34745 1 526 . 1 . 1 67 67 ASN HD22 H 1 6.928 0.020 . 1 . . . . A 67 ASN HD22 . 34745 1 527 . 1 . 1 67 67 ASN C C 13 176.282 0.3 . 1 . . . . A 67 ASN C . 34745 1 528 . 1 . 1 67 67 ASN CA C 13 54.801 0.3 . 1 . . . . A 67 ASN CA . 34745 1 529 . 1 . 1 67 67 ASN CB C 13 37.929 0.3 . 1 . . . . A 67 ASN CB . 34745 1 530 . 1 . 1 67 67 ASN N N 15 115.508 0.3 . 1 . . . . A 67 ASN N . 34745 1 531 . 1 . 1 67 67 ASN ND2 N 15 113.995 0.3 . 1 . . . . A 67 ASN ND2 . 34745 1 532 . 1 . 1 68 68 ASP H H 1 8.558 0.020 . 1 . . . . A 68 ASP H . 34745 1 533 . 1 . 1 68 68 ASP HA H 1 4.741 0.020 . 1 . . . . A 68 ASP HA . 34745 1 534 . 1 . 1 68 68 ASP HB2 H 1 2.653 0.020 . 1 . . . . A 68 ASP HB2 . 34745 1 535 . 1 . 1 68 68 ASP HB3 H 1 2.653 0.020 . 1 . . . . A 68 ASP HB3 . 34745 1 536 . 1 . 1 68 68 ASP C C 13 175.059 0.3 . 1 . . . . A 68 ASP C . 34745 1 537 . 1 . 1 68 68 ASP CA C 13 54.626 0.3 . 1 . . . . A 68 ASP CA . 34745 1 538 . 1 . 1 68 68 ASP CB C 13 40.298 0.3 . 1 . . . . A 68 ASP CB . 34745 1 539 . 1 . 1 68 68 ASP N N 15 118.643 0.3 . 1 . . . . A 68 ASP N . 34745 1 540 . 1 . 1 69 69 PHE H H 1 7.066 0.020 . 1 . . . . A 69 PHE H . 34745 1 541 . 1 . 1 69 69 PHE HA H 1 4.093 0.020 . 1 . . . . A 69 PHE HA . 34745 1 542 . 1 . 1 69 69 PHE HB2 H 1 2.752 0.020 . 1 . . . . A 69 PHE HB2 . 34745 1 543 . 1 . 1 69 69 PHE HB3 H 1 2.752 0.020 . 1 . . . . A 69 PHE HB3 . 34745 1 544 . 1 . 1 69 69 PHE C C 13 173.615 0.3 . 1 . . . . A 69 PHE C . 34745 1 545 . 1 . 1 69 69 PHE CA C 13 57.525 0.3 . 1 . . . . A 69 PHE CA . 34745 1 546 . 1 . 1 69 69 PHE CB C 13 39.883 0.3 . 1 . . . . A 69 PHE CB . 34745 1 547 . 1 . 1 69 69 PHE N N 15 119.730 0.3 . 1 . . . . A 69 PHE N . 34745 1 548 . 1 . 1 70 70 ASP H H 1 8.988 0.020 . 1 . . . . A 70 ASP H . 34745 1 549 . 1 . 1 70 70 ASP HA H 1 4.102 0.020 . 1 . . . . A 70 ASP HA . 34745 1 550 . 1 . 1 70 70 ASP HB2 H 1 3.161 0.020 . 1 . . . . A 70 ASP HB2 . 34745 1 551 . 1 . 1 70 70 ASP HB3 H 1 3.161 0.020 . 1 . . . . A 70 ASP HB3 . 34745 1 552 . 1 . 1 70 70 ASP C C 13 175.986 0.3 . 1 . . . . A 70 ASP C . 34745 1 553 . 1 . 1 70 70 ASP CA C 13 53.305 0.3 . 1 . . . . A 70 ASP CA . 34745 1 554 . 1 . 1 70 70 ASP CB C 13 41.681 0.3 . 1 . . . . A 70 ASP CB . 34745 1 555 . 1 . 1 70 70 ASP N N 15 124.203 0.3 . 1 . . . . A 70 ASP N . 34745 1 556 . 1 . 1 71 71 PHE HA H 1 4.399 0.020 . 1 . . . . A 71 PHE HA . 34745 1 557 . 1 . 1 71 71 PHE C C 13 175.272 0.3 . 1 . . . . A 71 PHE C . 34745 1 558 . 1 . 1 71 71 PHE CA C 13 49.328 0.3 . 1 . . . . A 71 PHE CA . 34745 1 559 . 1 . 1 71 71 PHE CB C 13 40.113 0.3 . 1 . . . . A 71 PHE CB . 34745 1 560 . 1 . 1 72 72 THR CA C 13 62.402 0.3 . 1 . . . . A 72 THR CA . 34745 1 561 . 1 . 1 72 72 THR CB C 13 70.520 0.3 . 1 . . . . A 72 THR CB . 34745 1 562 . 1 . 1 73 73 VAL C C 13 177.019 0.3 . 1 . . . . A 73 VAL C . 34745 1 563 . 1 . 1 73 73 VAL CA C 13 63.167 0.3 . 1 . . . . A 73 VAL CA . 34745 1 564 . 1 . 1 74 74 THR H H 1 8.077 0.020 . 1 . . . . A 74 THR H . 34745 1 565 . 1 . 1 74 74 THR HA H 1 4.228 0.020 . 1 . . . . A 74 THR HA . 34745 1 566 . 1 . 1 74 74 THR HB H 1 4.203 0.020 . 1 . . . . A 74 THR HB . 34745 1 567 . 1 . 1 74 74 THR HG21 H 1 1.084 0.020 . 1 . . . . A 74 THR HG21 . 34745 1 568 . 1 . 1 74 74 THR HG22 H 1 1.084 0.020 . 1 . . . . A 74 THR HG22 . 34745 1 569 . 1 . 1 74 74 THR HG23 H 1 1.084 0.020 . 1 . . . . A 74 THR HG23 . 34745 1 570 . 1 . 1 74 74 THR C C 13 175.351 0.3 . 1 . . . . A 74 THR C . 34745 1 571 . 1 . 1 74 74 THR CA C 13 56.020 0.3 . 1 . . . . A 74 THR CA . 34745 1 572 . 1 . 1 74 74 THR CB C 13 69.941 0.3 . 1 . . . . A 74 THR CB . 34745 1 573 . 1 . 1 74 74 THR N N 15 122.298 0.3 . 1 . . . . A 74 THR N . 34745 1 574 . 1 . 1 75 75 GLY H H 1 8.113 0.020 . 1 . . . . A 75 GLY H . 34745 1 575 . 1 . 1 75 75 GLY HA2 H 1 4.405 0.020 . 2 . . . . A 75 GLY HA2 . 34745 1 576 . 1 . 1 75 75 GLY HA3 H 1 3.903 0.020 . 2 . . . . A 75 GLY HA3 . 34745 1 577 . 1 . 1 75 75 GLY C C 13 175.148 0.3 . 1 . . . . A 75 GLY C . 34745 1 578 . 1 . 1 75 75 GLY CA C 13 44.166 0.3 . 1 . . . . A 75 GLY CA . 34745 1 579 . 1 . 1 75 75 GLY N N 15 109.472 0.3 . 1 . . . . A 75 GLY N . 34745 1 580 . 1 . 1 76 76 ARG HA H 1 4.169 0.020 . 1 . . . . A 76 ARG HA . 34745 1 581 . 1 . 1 76 76 ARG HB3 H 1 1.750 0.020 . 1 . . . . A 76 ARG HB3 . 34745 1 582 . 1 . 1 76 76 ARG C C 13 177.397 0.3 . 1 . . . . A 76 ARG C . 34745 1 583 . 1 . 1 76 76 ARG CB C 13 30.940 0.3 . 1 . . . . A 76 ARG CB . 34745 1 584 . 1 . 1 77 77 GLY H H 1 8.204 0.020 . 1 . . . . A 77 GLY H . 34745 1 585 . 1 . 1 77 77 GLY HA2 H 1 3.902 0.020 . 1 . . . . A 77 GLY HA2 . 34745 1 586 . 1 . 1 77 77 GLY C C 13 173.311 0.3 . 1 . . . . A 77 GLY C . 34745 1 587 . 1 . 1 77 77 GLY CA C 13 44.194 0.3 . 1 . . . . A 77 GLY CA . 34745 1 588 . 1 . 1 77 77 GLY N N 15 109.549 0.3 . 1 . . . . A 77 GLY N . 34745 1 589 . 1 . 1 78 78 SER CA C 13 59.998 0.3 . 1 . . . . A 78 SER CA . 34745 1 590 . 1 . 1 91 91 LYS H H 1 8.332 0.020 . 1 . . . . A 91 LYS H . 34745 1 591 . 1 . 1 91 91 LYS CA C 13 56.260 0.3 . 1 . . . . A 91 LYS CA . 34745 1 592 . 1 . 1 91 91 LYS N N 15 121.621 0.3 . 1 . . . . A 91 LYS N . 34745 1 593 . 1 . 1 94 94 LYS HA H 1 4.240 0.020 . 1 . . . . A 94 LYS HA . 34745 1 594 . 1 . 1 94 94 LYS HB2 H 1 1.739 0.020 . 1 . . . . A 94 LYS HB2 . 34745 1 595 . 1 . 1 94 94 LYS HB3 H 1 1.739 0.020 . 1 . . . . A 94 LYS HB3 . 34745 1 596 . 1 . 1 94 94 LYS CA C 13 55.615 0.3 . 1 . . . . A 94 LYS CA . 34745 1 597 . 1 . 1 94 94 LYS CB C 13 32.815 0.3 . 1 . . . . A 94 LYS CB . 34745 1 598 . 1 . 1 95 95 ALA H H 1 8.235 0.020 . 1 . . . . A 95 ALA H . 34745 1 599 . 1 . 1 95 95 ALA HA H 1 4.344 0.020 . 1 . . . . A 95 ALA HA . 34745 1 600 . 1 . 1 95 95 ALA HB1 H 1 1.385 0.020 . 1 . . . . A 95 ALA HB1 . 34745 1 601 . 1 . 1 95 95 ALA HB2 H 1 1.385 0.020 . 1 . . . . A 95 ALA HB2 . 34745 1 602 . 1 . 1 95 95 ALA HB3 H 1 1.385 0.020 . 1 . . . . A 95 ALA HB3 . 34745 1 603 . 1 . 1 95 95 ALA CA C 13 52.578 0.3 . 1 . . . . A 95 ALA CA . 34745 1 604 . 1 . 1 95 95 ALA CB C 13 19.178 0.3 . 1 . . . . A 95 ALA CB . 34745 1 605 . 1 . 1 95 95 ALA N N 15 124.744 0.3 . 1 . . . . A 95 ALA N . 34745 1 606 . 1 . 1 96 96 THR H H 1 8.026 0.020 . 1 . . . . A 96 THR H . 34745 1 607 . 1 . 1 96 96 THR CA C 13 61.573 0.3 . 1 . . . . A 96 THR CA . 34745 1 608 . 1 . 1 96 96 THR N N 15 112.805 0.3 . 1 . . . . A 96 THR N . 34745 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 34745 _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 3 _Spectral_peak_list.Experiment_name '3D HNCA' _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 #INAME 1 N #INAME 2 H #INAME 3 HN #SPECTRUM N15NOESY N H HN 1685 131.872 11.748 8.064 1 T 3.777e+09 0.00e+00 a 0 0 0 0 0 1686 105.546 11.672 8.793 1 T 3.030e+09 0.00e+00 a 0 0 0 0 0 1687 104.104 11.672 7.358 1 T 3.652e+09 0.00e+00 a 0 0 0 0 0 1688 103.411 11.674 8.407 1 T 4.137e+09 0.00e+00 a 0 0 0 0 0 1689 103.273 11.682 8.054 1 T 3.042e+09 0.00e+00 a 0 0 0 0 0 1690 105.482 11.622 8.697 1 T 3.392e+09 0.00e+00 a 0 0 0 0 0 1691 103.775 11.648 7.495 1 T 4.795e+09 0.00e+00 a 0 0 0 0 0 1692 103.446 11.666 8.384 1 T 4.130e+09 0.00e+00 a 0 0 0 0 0 1693 103.412 11.665 8.232 1 T 6.320e+09 0.00e+00 a 0 0 0 0 0 1694 103.541 11.642 8.130 1 T 3.586e+09 0.00e+00 a 0 0 0 0 0 1695 103.671 11.656 7.404 1 T 3.965e+09 0.00e+00 a 0 0 0 0 0 1696 138.294 11.559 5.890 1 T 3.496e+09 0.00e+00 a 0 0 0 0 0 1697 138.148 11.579 5.864 1 T 3.421e+09 0.00e+00 a 0 0 0 0 0 1698 112.760 11.468 6.059 1 T 3.699e+09 0.00e+00 a 0 0 0 0 0 1699 112.401 11.474 5.888 1 T 3.669e+09 0.00e+00 a 0 0 0 0 0 1700 101.159 11.461 6.247 1 T 3.244e+09 0.00e+00 a 0 0 0 0 0 1701 101.409 11.470 6.153 1 T 3.525e+09 0.00e+00 a 0 0 0 0 0 1702 101.240 11.470 6.056 1 T 3.538e+09 0.00e+00 a 0 0 0 0 0 1703 101.271 11.472 5.918 1 T 4.036e+09 0.00e+00 a 0 0 0 0 0 1704 96.816 11.313 5.944 1 T 3.411e+09 0.00e+00 a 0 0 0 0 0 1705 119.938 11.212 5.832 1 T 4.335e+09 0.00e+00 a 0 0 0 0 0 1706 120.112 11.139 6.027 1 T 3.829e+09 0.00e+00 a 0 0 0 0 0 1707 119.939 11.147 5.929 1 T 3.968e+09 0.00e+00 a 0 0 0 0 0 1708 119.337 11.139 5.799 1 T 4.107e+09 0.00e+00 a 0 0 0 0 0 1709 122.207 11.090 8.354 1 T 4.583e+09 0.00e+00 a 0 0 0 0 0 1710 119.493 11.091 6.335 1 T 3.462e+09 0.00e+00 a 0 0 0 0 0 1711 107.811 10.970 5.812 1 T 3.435e+09 0.00e+00 a 0 0 0 0 0 1712 82.831 10.982 5.853 1 T 3.338e+09 0.00e+00 a 0 0 0 0 0 1713 91.382 10.895 9.789 1 T 3.540e+09 0.00e+00 a 0 0 0 0 0 1714 90.027 10.867 6.075 1 T 4.018e+09 0.00e+00 a 0 0 0 0 0 1715 132.458 10.783 5.866 1 T 3.320e+09 0.00e+00 a 0 0 0 0 0 1716 102.028 10.786 5.993 1 T 3.589e+09 0.00e+00 a 0 0 0 0 0 1717 102.017 10.805 5.832 1 T 3.352e+09 0.00e+00 a 0 0 0 0 0 1718 113.319 10.759 5.904 1 T 3.559e+09 0.00e+00 a 0 0 0 0 0 1719 122.071 10.624 8.405 1 T 4.509e+09 0.00e+00 a 0 0 0 0 0 1720 143.692 10.289 5.806 1 T 4.774e+09 0.00e+00 a 0 0 0 0 0 1721 144.464 10.235 5.950 1 T 3.673e+09 0.00e+00 a 0 0 0 0 0 1722 144.160 10.254 6.116 1 T 4.179e+09 0.00e+00 a 0 0 0 0 0 1723 142.462 10.257 5.897 1 T 3.876e+09 0.00e+00 a 0 0 0 0 0 1724 120.666 10.250 8.451 1 T 3.786e+09 0.00e+00 a 0 0 0 0 0 1725 85.317 10.145 7.827 1 T 3.730e+09 0.00e+00 a 0 0 0 0 0 1726 130.564 10.075 5.920 1 T 3.895e+09 0.00e+00 a 0 0 0 0 0 1727 137.121 10.018 10.626 1 T 4.054e+09 0.00e+00 a 0 0 0 0 0 1728 121.690 10.013 8.377 1 T 3.857e+09 0.00e+00 a 0 0 0 0 0 1729 117.297 9.964 7.678 1 T 3.479e+09 0.00e+00 a 0 0 0 0 0 1730 116.426 9.973 8.343 1 T 4.155e+09 0.00e+00 a 0 0 0 0 0 1731 94.987 9.969 5.822 1 T 3.842e+09 0.00e+00 a 0 0 0 0 0 1732 121.532 9.917 8.390 1 T 4.432e+09 0.00e+00 a 0 0 0 0 0 1733 121.292 9.849 8.219 1 T 4.226e+09 0.00e+00 a 0 0 0 0 0 1734 116.202 9.880 8.350 1 T 4.061e+09 0.00e+00 a 0 0 0 0 0 1735 120.525 9.807 8.089 1 T 4.496e+09 0.00e+00 a 0 0 0 0 0 1736 118.721 9.788 6.740 1 T 3.953e+09 0.00e+00 a 0 0 0 0 0 1737 127.155 9.727 8.463 1 T 3.717e+09 0.00e+00 a 0 0 0 0 0 1738 126.776 9.681 8.450 1 T 3.978e+09 0.00e+00 a 0 0 0 0 0 1739 121.503 9.635 9.202 1 T 4.127e+09 0.00e+00 a 0 0 0 0 0 1740 113.190 9.616 9.236 1 T 7.296e+09 0.00e+00 a 0 0 0 0 0 1741 113.481 9.564 5.809 1 T 3.578e+09 0.00e+00 a 0 0 0 0 0 1742 111.418 9.585 7.105 1 T 1.139e+10 0.00e+00 a 0 0 0 0 0 1743 95.097 9.575 5.986 1 T 3.711e+09 0.00e+00 a 0 0 0 0 0 1744 121.258 9.550 8.445 1 T 5.638e+09 0.00e+00 a 0 0 0 0 0 1745 121.358 9.556 8.356 1 T 4.314e+09 0.00e+00 a 0 0 0 0 0 1746 97.343 9.519 8.779 1 T 3.626e+09 0.00e+00 a 0 0 0 0 0 1747 117.328 9.494 9.039 1 T 7.324e+09 0.00e+00 a 0 0 0 0 0 1748 144.288 9.409 5.856 1 T 3.627e+09 0.00e+00 a 0 0 0 0 0 1749 144.135 9.424 6.435 1 T 3.987e+09 0.00e+00 a 0 0 0 0 0 1750 143.792 9.410 5.971 1 T 3.806e+09 0.00e+00 a 0 0 0 0 0 1751 101.484 9.356 5.839 1 T 3.418e+09 0.00e+00 a 0 0 0 0 0 1752 143.390 9.314 5.961 1 T 3.267e+09 0.00e+00 a 0 0 0 0 0 1753 126.768 9.328 8.919 1 T 4.810e+09 0.00e+00 a 0 0 0 0 0 1754 122.639 9.294 8.887 1 T 3.406e+09 0.00e+00 a 0 0 0 0 0 1755 120.713 9.287 8.093 1 T 5.209e+09 0.00e+00 a 0 0 0 0 0 1756 83.564 9.288 5.897 1 T 4.602e+09 0.00e+00 a 0 0 0 0 0 1757 121.400 9.270 8.327 1 T 4.660e+09 0.00e+00 a 0 0 0 0 0 1758 118.887 9.243 9.661 1 T 5.731e+09 0.00e+00 a 0 0 0 0 0 1759 83.512 9.279 5.866 1 T 4.952e+09 0.00e+00 a 0 0 0 0 0 1760 124.340 9.219 9.582 1 T 6.250e+09 0.00e+00 a 0 0 0 0 0 1761 116.109 9.173 8.375 1 T 1.401e+10 0.00e+00 a 0 0 0 0 0 1762 120.918 9.160 8.217 1 T 3.323e+09 0.00e+00 a 0 0 0 0 0 1763 119.858 9.136 8.457 1 T 7.956e+09 0.00e+00 a 0 0 0 0 0 1764 132.457 9.093 6.071 1 T 3.643e+09 0.00e+00 a 0 0 0 0 0 1765 126.817 9.063 9.483 1 T 4.264e+09 0.00e+00 a 0 0 0 0 0 1766 122.980 9.073 8.608 1 T 4.433e+09 0.00e+00 a 0 0 0 0 0 1767 121.331 9.106 7.908 1 T 3.555e+09 0.00e+00 a 0 0 0 0 0 1768 116.674 9.088 8.642 1 T 5.468e+09 0.00e+00 a 0 0 0 0 0 1769 127.177 9.033 9.519 1 T 4.456e+09 0.00e+00 a 0 0 0 0 0 1770 123.250 9.051 8.622 1 T 4.887e+09 0.00e+00 a 0 0 0 0 0 1771 120.597 9.014 8.088 1 T 8.831e+09 0.00e+00 a 0 0 0 0 0 1772 119.589 8.997 7.070 1 T 5.825e+09 0.00e+00 a 0 0 0 0 0 1773 118.809 8.973 8.577 1 T 1.757e+10 0.00e+00 a 0 0 0 0 0 1774 113.761 8.979 8.012 1 T 5.952e+09 0.00e+00 a 0 0 0 0 0 1775 113.816 8.950 6.934 1 T 5.962e+09 0.00e+00 a 0 0 0 0 0 1776 109.824 8.969 8.305 1 T 3.920e+09 0.00e+00 a 0 0 0 0 0 1777 120.622 8.907 7.805 1 T 1.432e+10 0.00e+00 a 0 0 0 0 0 1778 122.333 8.868 7.618 1 T 5.830e+09 0.00e+00 a 0 0 0 0 0 1779 121.965 8.858 8.413 1 T 2.512e+10 0.00e+00 a 0 0 0 0 0 1780 121.197 8.860 8.198 1 T 6.067e+09 0.00e+00 a 0 0 0 0 0 1781 120.268 8.883 8.453 1 T 1.502e+10 0.00e+00 a 0 0 0 0 0 1782 118.285 8.870 8.395 1 T 1.469e+10 0.00e+00 a 0 0 0 0 0 1783 110.498 8.867 8.442 1 T 4.732e+09 0.00e+00 a 0 0 0 0 0 1784 109.552 8.885 8.210 1 T 5.816e+09 0.00e+00 a 0 0 0 0 0 1785 121.290 8.795 8.356 1 T 1.755e+10 0.00e+00 a 0 0 0 0 0 1786 114.512 8.814 7.256 1 T 3.323e+09 0.00e+00 a 0 0 0 0 0 1787 123.945 8.738 8.311 1 T 9.171e+09 0.00e+00 a 0 0 0 0 0 1788 123.331 8.736 6.854 1 T 9.219e+09 0.00e+00 a 0 0 0 0 0 1789 120.648 8.773 8.094 1 T 1.097e+10 0.00e+00 a 0 0 0 0 0 1790 112.570 8.732 7.507 1 T 4.109e+09 0.00e+00 a 0 0 0 0 0 1791 101.099 8.735 5.875 1 T 4.095e+09 0.00e+00 a 0 0 0 0 0 1792 124.087 8.723 8.300 1 T 8.843e+09 0.00e+00 a 0 0 0 0 0 1793 116.542 8.707 9.154 1 T 9.329e+09 0.00e+00 a 0 0 0 0 0 1794 110.017 8.715 8.010 1 T 3.850e+09 0.00e+00 a 0 0 0 0 0 1795 78.032 8.684 5.934 1 T 3.738e+09 0.00e+00 a 0 0 0 0 0 1796 78.058 8.700 5.821 1 T 4.707e+09 0.00e+00 a 0 0 0 0 0 1797 77.110 8.718 5.878 1 T 3.694e+09 0.00e+00 a 0 0 0 0 0 1798 123.805 8.628 8.211 1 T 6.936e+09 0.00e+00 a 0 0 0 0 0 1799 121.188 8.643 8.216 1 T 1.101e+10 0.00e+00 a 0 0 0 0 0 1800 113.963 8.628 7.987 1 T 3.804e+09 0.00e+00 a 0 0 0 0 0 1801 109.420 8.644 8.216 1 T 8.480e+09 0.00e+00 a 0 0 0 0 0 1802 123.254 8.582 7.696 1 T 3.364e+10 0.00e+00 a 0 0 0 0 0 1803 121.743 8.579 7.914 1 T 3.524e+09 0.00e+00 a 0 0 0 0 0 1804 119.646 8.570 7.064 1 T 1.158e+10 0.00e+00 a 0 0 0 0 0 1805 118.152 8.577 9.030 1 T 6.035e+09 0.00e+00 a 0 0 0 0 0 1806 116.626 8.574 7.630 1 T 1.372e+10 0.00e+00 a 0 0 0 0 0 1807 125.493 8.552 5.813 1 T 3.622e+09 0.00e+00 a 0 0 0 0 0 1808 115.461 8.551 8.975 1 T 1.534e+10 0.00e+00 a 0 0 0 0 0 1809 108.739 8.531 8.114 1 T 6.774e+09 0.00e+00 a 0 0 0 0 0 1810 89.245 8.547 6.168 1 T 3.811e+09 0.00e+00 a 0 0 0 0 0 1811 124.138 8.452 6.936 1 T 2.111e+10 0.00e+00 a 0 0 0 0 0 1812 120.568 8.505 8.089 1 T 3.211e+10 0.00e+00 a 0 0 0 0 0 1813 112.478 8.470 7.512 1 T 4.662e+09 0.00e+00 a 0 0 0 0 0 1814 111.947 8.454 7.591 1 T 3.280e+09 0.00e+00 a 0 0 0 0 0 1815 111.965 8.499 6.886 1 T 4.286e+09 0.00e+00 a 0 0 0 0 0 1816 110.147 8.458 8.026 1 T 5.305e+09 0.00e+00 a 0 0 0 0 0 1817 89.258 8.474 5.833 1 T 4.000e+09 0.00e+00 a 0 0 0 0 0 1818 138.401 8.433 10.142 1 T 3.688e+09 0.00e+00 a 0 0 0 0 0 1819 137.304 8.428 5.801 1 T 3.136e+09 0.00e+00 a 0 0 0 0 0 1820 130.640 8.418 10.651 1 T 3.950e+09 0.00e+00 a 0 0 0 0 0 1821 126.165 8.423 8.018 1 T 3.269e+09 0.00e+00 a 0 0 0 0 0 1822 121.989 8.410 8.872 1 T 9.307e+09 0.00e+00 a 0 0 0 0 0 1823 120.065 8.400 7.629 1 T 1.024e+10 0.00e+00 a 0 0 0 0 0 1824 119.985 8.423 7.310 1 T 8.021e+09 0.00e+00 a 0 0 0 0 0 1825 119.775 8.411 5.851 1 T 3.471e+09 0.00e+00 a 0 0 0 0 0 1826 118.797 8.439 8.924 1 T 1.380e+10 0.00e+00 a 0 0 0 0 0 1827 114.209 8.405 8.892 1 T 1.353e+10 0.00e+00 a 0 0 0 0 0 1828 113.359 8.416 9.246 1 T 3.618e+09 0.00e+00 a 0 0 0 0 0 1829 113.059 8.423 8.024 1 T 5.698e+09 0.00e+00 a 0 0 0 0 0 1830 131.867 8.340 7.994 1 T 3.654e+09 0.00e+00 a 0 0 0 0 0 1831 124.070 8.345 9.238 1 T 6.757e+09 0.00e+00 a 0 0 0 0 0 1832 124.141 8.375 9.116 1 T 7.745e+09 0.00e+00 a 0 0 0 0 0 1833 90.868 8.375 8.194 1 T 5.276e+09 0.00e+00 a 0 0 0 0 0 1834 89.168 8.379 5.978 1 T 4.198e+09 0.00e+00 a 0 0 0 0 0 1835 84.756 8.363 6.082 1 T 3.768e+09 0.00e+00 a 0 0 0 0 0 1836 123.986 8.316 8.998 1 T 4.091e+09 0.00e+00 a 0 0 0 0 0 1837 122.112 8.329 9.232 1 T 5.009e+09 0.00e+00 a 0 0 0 0 0 1838 121.303 8.324 7.827 1 T 3.068e+10 0.00e+00 a 0 0 0 0 0 1839 88.872 8.316 6.125 1 T 2.992e+09 0.00e+00 a 0 0 0 0 0 1840 109.945 8.236 8.782 1 T 3.455e+09 0.00e+00 a 0 0 0 0 0 1841 127.350 8.199 5.914 1 T 3.356e+09 0.00e+00 a 0 0 0 0 0 1842 123.817 8.214 8.632 1 T 4.150e+09 0.00e+00 a 0 0 0 0 0 1843 112.238 8.187 7.520 1 T 6.348e+09 0.00e+00 a 0 0 0 0 0 1844 120.769 8.127 8.971 1 T 4.430e+09 0.00e+00 a 0 0 0 0 0 1845 123.596 8.106 7.709 1 T 3.110e+10 0.00e+00 a 0 0 0 0 0 1846 121.202 8.099 9.025 1 T 5.273e+09 0.00e+00 a 0 0 0 0 0 1847 111.473 8.093 7.601 1 T 3.797e+09 0.00e+00 a 0 0 0 0 0 1848 120.209 8.037 8.455 1 T 1.550e+10 0.00e+00 a 0 0 0 0 0 1849 116.768 8.039 6.925 1 T 3.020e+09 0.00e+00 a 0 0 0 0 0 1850 115.740 8.019 8.975 1 T 4.542e+09 0.00e+00 a 0 0 0 0 0 1851 114.854 8.040 7.283 1 T 3.734e+09 0.00e+00 a 0 0 0 0 0 1852 113.861 8.006 6.934 1 T 1.058e+11 0.00e+00 a 0 0 0 0 0 1853 84.731 7.955 9.315 1 T 5.091e+09 0.00e+00 a 0 0 0 0 0 1854 119.947 7.904 7.305 1 T 8.446e+09 0.00e+00 a 0 0 0 0 0 1855 112.330 7.947 7.512 1 T 1.168e+10 0.00e+00 a 0 0 0 0 0 1856 102.548 7.930 6.777 1 T 3.766e+09 0.00e+00 a 0 0 0 0 0 1857 111.066 7.893 8.318 1 T 4.433e+09 0.00e+00 a 0 0 0 0 0 1858 118.750 7.797 8.923 1 T 1.634e+10 0.00e+00 a 0 0 0 0 0 1859 118.402 7.790 8.401 1 T 2.351e+10 0.00e+00 a 0 0 0 0 0 1860 109.236 7.787 8.228 1 T 6.615e+09 0.00e+00 a 0 0 0 0 0 1861 83.362 7.815 5.831 1 T 4.476e+09 0.00e+00 a 0 0 0 0 0 1862 130.867 7.779 10.659 1 T 1.122e+10 0.00e+00 a 0 0 0 0 0 1863 120.177 7.757 8.131 1 T 1.295e+10 0.00e+00 a 0 0 0 0 0 1864 109.134 7.769 8.190 1 T 7.508e+09 0.00e+00 a 0 0 0 0 0 1865 127.326 7.674 8.627 1 T 4.093e+09 0.00e+00 a 0 0 0 0 0 1866 126.697 7.703 8.442 1 T 6.275e+09 0.00e+00 a 0 0 0 0 0 1867 122.627 7.695 8.864 1 T 4.276e+09 0.00e+00 a 0 0 0 0 0 1868 119.092 7.697 8.597 1 T 2.495e+10 0.00e+00 a 0 0 0 0 0 1869 108.452 7.698 8.108 1 T 2.132e+10 0.00e+00 a 0 0 0 0 0 1870 126.663 7.646 8.557 1 T 5.635e+09 0.00e+00 a 0 0 0 0 0 1871 118.856 7.650 8.738 1 T 4.110e+09 0.00e+00 a 0 0 0 0 0 1872 117.515 7.655 8.883 1 T 5.233e+09 0.00e+00 a 0 0 0 0 0 1873 100.994 7.626 5.944 1 T 3.435e+09 0.00e+00 a 0 0 0 0 0 1874 139.355 7.593 11.557 1 T 3.707e+09 0.00e+00 a 0 0 0 0 0 1875 125.797 7.616 5.845 1 T 4.462e+09 0.00e+00 a 0 0 0 0 0 1876 111.766 7.586 8.059 1 T 3.695e+09 0.00e+00 a 0 0 0 0 0 1877 100.897 7.609 6.511 1 T 3.346e+09 0.00e+00 a 0 0 0 0 0 1878 118.115 7.522 5.914 1 T 3.606e+09 0.00e+00 a 0 0 0 0 0 1879 117.232 7.532 6.811 1 T 2.894e+09 0.00e+00 a 0 0 0 0 0 1880 115.448 7.512 6.810 1 T 4.600e+09 0.00e+00 a 0 0 0 0 0 1881 113.275 7.534 5.889 1 T 3.563e+09 0.00e+00 a 0 0 0 0 0 1882 112.453 7.511 6.844 1 T 3.557e+11 0.00e+00 a 0 0 0 0 0 1883 112.203 7.527 6.867 1 T 3.667e+11 0.00e+00 a 0 0 0 0 0 1884 112.057 7.475 7.130 1 T 5.655e+09 0.00e+00 a 0 0 0 0 0 1885 89.505 7.497 5.842 1 T 4.019e+09 0.00e+00 a 0 0 0 0 0 1886 113.311 7.444 9.225 1 T 5.069e+09 0.00e+00 a 0 0 0 0 0 1887 130.791 7.286 10.658 1 T 1.869e+10 0.00e+00 a 0 0 0 0 0 1888 122.234 7.287 8.412 1 T 9.832e+09 0.00e+00 a 0 0 0 0 0 1889 119.031 7.292 8.395 1 T 8.200e+09 0.00e+00 a 0 0 0 0 0 1890 112.129 7.314 6.774 1 T 9.213e+10 0.00e+00 a 0 0 0 0 0 1891 108.797 7.289 6.373 1 T 3.225e+09 0.00e+00 a 0 0 0 0 0 1892 126.469 7.282 8.446 1 T 3.837e+09 0.00e+00 a 0 0 0 0 0 1893 123.232 7.240 7.695 1 T 2.196e+09 0.00e+00 a 0 0 0 0 0 1894 119.703 7.270 7.913 1 T 1.088e+10 0.00e+00 a 0 0 0 0 0 1895 100.681 7.283 6.590 1 T 3.904e+09 0.00e+00 a 0 0 0 0 0 1896 126.592 7.194 8.563 1 T 3.317e+09 0.00e+00 a 0 0 0 0 0 1897 122.252 7.206 7.623 1 T 3.988e+09 0.00e+00 a 0 0 0 0 0 1898 121.519 7.196 9.159 1 T 5.207e+09 0.00e+00 a 0 0 0 0 0 1899 119.153 7.215 9.666 1 T 9.481e+09 0.00e+00 a 0 0 0 0 0 1900 118.693 7.189 8.922 1 T 1.602e+10 0.00e+00 a 0 0 0 0 0 1901 116.439 7.183 7.637 1 T 3.707e+09 0.00e+00 a 0 0 0 0 0 1902 121.741 7.146 9.206 1 T 5.232e+09 0.00e+00 a 0 0 0 0 0 1903 120.535 7.148 7.803 1 T 9.555e+09 0.00e+00 a 0 0 0 0 0 1904 118.773 7.131 9.576 1 T 1.463e+10 0.00e+00 a 0 0 0 0 0 1905 132.430 7.112 5.857 1 T 4.641e+09 0.00e+00 a 0 0 0 0 0 1906 124.029 7.097 8.980 1 T 4.587e+09 0.00e+00 a 0 0 0 0 0 1907 143.386 7.031 5.947 1 T 3.479e+09 0.00e+00 a 0 0 0 0 0 1908 137.909 7.053 5.897 1 T 3.387e+09 0.00e+00 a 0 0 0 0 0 1909 132.387 7.044 6.123 1 T 4.174e+09 0.00e+00 a 0 0 0 0 0 1910 118.741 7.032 8.574 1 T 1.896e+10 0.00e+00 a 0 0 0 0 0 1911 117.526 7.024 9.037 1 T 1.021e+10 0.00e+00 a 0 0 0 0 0 1912 115.536 6.992 8.975 1 T 6.921e+09 0.00e+00 a 0 0 0 0 0 1913 109.870 6.990 6.391 1 T 3.541e+09 0.00e+00 a 0 0 0 0 0 1914 87.979 6.971 7.346 1 T 3.897e+09 0.00e+00 a 0 0 0 0 0 1915 82.617 6.973 6.531 1 T 4.132e+09 0.00e+00 a 0 0 0 0 0 1916 143.210 6.938 5.887 1 T 4.139e+09 0.00e+00 a 0 0 0 0 0 1917 116.680 6.913 9.150 1 T 5.743e+09 0.00e+00 a 0 0 0 0 0 1918 113.889 6.935 8.000 1 T 9.293e+10 0.00e+00 a 0 0 0 0 0 1919 113.568 6.919 8.148 1 T 4.473e+09 0.00e+00 a 0 0 0 0 0 1920 110.157 6.939 8.450 1 T 2.501e+10 0.00e+00 a 0 0 0 0 0 1921 108.437 6.905 8.109 1 T 2.327e+10 0.00e+00 a 0 0 0 0 0 1922 120.611 6.857 7.795 1 T 4.895e+09 0.00e+00 a 0 0 0 0 0 1923 115.535 6.856 7.494 1 T 3.872e+09 0.00e+00 a 0 0 0 0 0 1924 115.422 6.853 6.662 1 T 4.722e+09 0.00e+00 a 0 0 0 0 0 1925 113.683 6.881 7.749 1 T 2.047e+10 0.00e+00 a 0 0 0 0 0 1926 112.315 6.881 8.753 1 T 3.966e+09 0.00e+00 a 0 0 0 0 0 1927 111.821 6.861 8.637 1 T 3.111e+09 0.00e+00 a 0 0 0 0 0 1928 111.757 6.869 8.320 1 T 4.187e+09 0.00e+00 a 0 0 0 0 0 1929 112.298 6.856 7.520 1 T 4.493e+11 0.00e+00 a 0 0 0 0 0 1930 109.335 6.885 7.483 1 T 1.246e+09 0.00e+00 a 0 0 0 0 0 1931 83.514 6.883 7.277 1 T 8.050e+09 0.00e+00 a 0 0 0 0 0 1932 123.507 6.839 7.707 1 T 1.097e+10 0.00e+00 a 0 0 0 0 0 1933 115.302 6.834 6.650 1 T 4.785e+09 0.00e+00 a 0 0 0 0 0 1934 126.584 6.759 8.440 1 T 9.059e+09 0.00e+00 a 0 0 0 0 0 1935 112.110 6.769 7.293 1 T 6.987e+10 0.00e+00 a 0 0 0 0 0 1936 106.341 6.762 6.005 1 T 4.212e+09 0.00e+00 a 0 0 0 0 0 1937 105.387 6.745 6.043 1 T 4.375e+09 0.00e+00 a 0 0 0 0 0 1938 95.326 6.742 5.945 1 T 3.549e+09 0.00e+00 a 0 0 0 0 0 1939 130.797 6.666 10.659 1 T 3.442e+09 0.00e+00 a 0 0 0 0 0 1940 125.807 6.637 5.948 1 T 4.188e+09 0.00e+00 a 0 0 0 0 0 1941 125.531 6.645 6.042 1 T 4.378e+09 0.00e+00 a 0 0 0 0 0 1942 108.457 6.659 6.959 1 T 3.525e+09 0.00e+00 a 0 0 0 0 0 1943 98.201 6.625 5.872 1 T 3.843e+09 0.00e+00 a 0 0 0 0 0 1944 125.773 6.599 6.020 1 T 4.841e+09 0.00e+00 a 0 0 0 0 0 1945 113.775 6.566 6.052 1 T 3.475e+09 0.00e+00 a 0 0 0 0 0 1946 113.144 6.588 5.914 1 T 3.399e+09 0.00e+00 a 0 0 0 0 0 1947 113.487 6.604 5.829 1 T 3.598e+09 0.00e+00 a 0 0 0 0 0 1948 125.955 6.546 6.128 1 T 3.887e+09 0.00e+00 a 0 0 0 0 0 1949 82.906 6.017 6.885 1 T 4.142e+09 0.00e+00 a 0 0 0 0 0 1950 123.115 5.989 8.862 1 T 4.751e+09 0.00e+00 a 0 0 0 0 0 1951 81.735 5.853 6.192 1 T 3.920e+09 0.00e+00 a 0 0 0 0 0 1952 126.994 5.808 8.926 1 T 7.138e+09 0.00e+00 a 0 0 0 0 0 1953 126.418 5.805 6.200 1 T 3.838e+09 0.00e+00 a 0 0 0 0 0 1954 117.518 5.809 9.041 1 T 5.624e+09 0.00e+00 a 0 0 0 0 0 1955 126.212 5.779 6.211 1 T 3.828e+09 0.00e+00 a 0 0 0 0 0 1956 116.534 5.775 9.161 1 T 2.227e+10 0.00e+00 a 0 0 0 0 0 1957 83.252 5.743 6.481 1 T 3.719e+09 0.00e+00 a 0 0 0 0 0 1958 78.141 5.695 6.707 1 T 3.306e+09 0.00e+00 a 0 0 0 0 0 1959 78.086 5.684 6.061 1 T 3.367e+09 0.00e+00 a 0 0 0 0 0 1960 77.622 5.680 5.954 1 T 3.544e+09 0.00e+00 a 0 0 0 0 0 1961 131.370 5.653 5.926 1 T 3.563e+09 0.00e+00 a 0 0 0 0 0 1962 117.728 5.569 8.594 1 T 4.267e+09 0.00e+00 a 0 0 0 0 0 1963 124.215 5.514 9.580 1 T 2.589e+10 0.00e+00 a 0 0 0 0 0 1964 117.013 5.543 8.720 1 T 1.092e+10 0.00e+00 a 0 0 0 0 0 1965 116.676 5.523 8.644 1 T 1.034e+10 0.00e+00 a 0 0 0 0 0 1966 127.305 5.429 9.535 1 T 1.549e+10 0.00e+00 a 0 0 0 0 0 1967 126.889 5.439 9.495 1 T 1.361e+10 0.00e+00 a 0 0 0 0 0 1968 108.000 5.409 5.825 1 T 3.677e+09 0.00e+00 a 0 0 0 0 0 1969 121.630 5.375 8.432 1 T 1.209e+10 0.00e+00 a 0 0 0 0 0 1970 119.730 5.318 5.904 1 T 3.743e+09 0.00e+00 a 0 0 0 0 0 1971 117.553 5.309 9.033 1 T 3.073e+10 0.00e+00 a 0 0 0 0 0 1972 117.198 5.318 7.633 1 T 3.287e+09 0.00e+00 a 0 0 0 0 0 1973 116.764 5.319 9.152 1 T 6.432e+09 0.00e+00 a 0 0 0 0 0 1974 108.052 5.310 5.966 1 T 3.510e+09 0.00e+00 a 0 0 0 0 0 1975 131.472 5.253 5.800 1 T 3.831e+09 0.00e+00 a 0 0 0 0 0 1976 121.989 5.253 8.419 1 T 1.277e+10 0.00e+00 a 0 0 0 0 0 1977 121.624 5.269 9.202 1 T 1.279e+10 0.00e+00 a 0 0 0 0 0 1978 110.301 5.237 8.456 1 T 4.360e+09 0.00e+00 a 0 0 0 0 0 1979 113.265 5.189 9.236 1 T 2.142e+10 0.00e+00 a 0 0 0 0 0 1980 108.688 5.157 8.362 1 T 3.889e+09 0.00e+00 a 0 0 0 0 0 1981 125.933 5.072 8.024 1 T 7.493e+09 0.00e+00 a 0 0 0 0 0 1982 124.358 5.102 9.575 1 T 7.037e+09 0.00e+00 a 0 0 0 0 0 1983 123.686 5.086 7.711 1 T 5.118e+09 0.00e+00 a 0 0 0 0 0 1984 143.778 5.053 6.034 1 T 3.565e+09 0.00e+00 a 0 0 0 0 0 1985 142.720 5.037 11.230 1 T 3.757e+09 0.00e+00 a 0 0 0 0 0 1986 126.619 5.055 8.441 1 T 3.448e+10 0.00e+00 a 0 0 0 0 0 1987 119.137 5.054 9.668 1 T 2.789e+10 0.00e+00 a 0 0 0 0 0 1988 96.163 5.026 5.867 1 T 3.689e+09 0.00e+00 a 0 0 0 0 0 1989 95.452 5.033 5.817 1 T 3.882e+09 0.00e+00 a 0 0 0 0 0 1990 122.866 4.994 8.862 1 T 1.022e+10 0.00e+00 a 0 0 0 0 0 1991 118.841 4.945 9.576 1 T 2.183e+10 0.00e+00 a 0 0 0 0 0 1992 118.553 4.940 8.771 1 T 3.343e+10 0.00e+00 a 0 0 0 0 0 1993 116.676 4.944 7.632 1 T 8.058e+09 0.00e+00 a 0 0 0 0 0 1994 127.292 4.893 9.533 1 T 4.420e+09 0.00e+00 a 0 0 0 0 0 1995 126.935 4.874 8.924 1 T 4.024e+10 0.00e+00 a 0 0 0 0 0 1996 111.407 4.884 7.103 1 T 5.766e+09 0.00e+00 a 0 0 0 0 0 1997 126.829 4.804 9.493 1 T 4.568e+09 0.00e+00 a 0 0 0 0 0 1998 123.230 4.810 8.616 1 T 2.893e+10 0.00e+00 a 0 0 0 0 0 1999 116.454 4.828 9.159 1 T 7.854e+09 0.00e+00 a 0 0 0 0 0 2000 116.615 4.811 8.653 1 T 6.364e+09 0.00e+00 a 0 0 0 0 0 2001 115.443 4.790 8.976 1 T 1.282e+10 0.00e+00 a 0 0 0 0 0 2002 127.005 4.786 9.044 1 T 9.337e+09 0.00e+00 a 0 0 0 0 0 2003 125.199 4.740 8.114 1 T 3.629e+09 0.00e+00 a 0 0 0 0 0 2004 121.312 4.749 8.436 1 T 5.573e+10 0.00e+00 a 0 0 0 0 0 2005 119.637 4.740 7.065 1 T 9.687e+09 0.00e+00 a 0 0 0 0 0 2006 116.506 4.779 8.372 1 T 5.541e+10 0.00e+00 a 0 0 0 0 0 2007 112.120 4.747 10.815 1 T 3.750e+09 0.00e+00 a 0 0 0 0 0 2008 112.087 4.740 7.782 1 T 6.209e+09 0.00e+00 a 0 0 0 0 0 2009 102.581 4.785 8.047 1 T 1.590e+10 0.00e+00 a 0 0 0 0 0 2010 84.958 4.752 7.482 1 T 3.913e+09 0.00e+00 a 0 0 0 0 0 2011 125.672 4.679 9.117 1 T 5.642e+09 0.00e+00 a 0 0 0 0 0 2012 119.793 4.698 8.684 1 T 8.366e+09 0.00e+00 a 0 0 0 0 0 2013 119.053 4.720 8.589 1 T 3.130e+10 0.00e+00 a 0 0 0 0 0 2014 117.425 4.702 8.167 1 T 1.473e+10 0.00e+00 a 0 0 0 0 0 2015 114.011 4.690 8.149 1 T 7.001e+09 0.00e+00 a 0 0 0 0 0 2016 113.366 4.733 9.238 1 T 1.023e+10 0.00e+00 a 0 0 0 0 0 2017 112.789 4.706 8.027 1 T 1.628e+10 0.00e+00 a 0 0 0 0 0 2018 112.104 4.703 7.531 1 T 4.670e+09 0.00e+00 a 0 0 0 0 0 2019 109.465 4.704 8.316 1 T 6.064e+09 0.00e+00 a 0 0 0 0 0 2020 109.386 4.710 8.212 1 T 1.078e+10 0.00e+00 a 0 0 0 0 0 2021 105.254 4.720 8.055 1 T 3.553e+09 0.00e+00 a 0 0 0 0 0 2022 85.156 4.700 7.240 1 T 2.676e+10 0.00e+00 a 0 0 0 0 0 2023 84.953 4.708 7.349 1 T 1.661e+10 0.00e+00 a 0 0 0 0 0 2024 82.890 4.721 6.543 1 T 3.306e+09 0.00e+00 a 0 0 0 0 0 2025 82.351 4.699 5.848 1 T 4.174e+09 0.00e+00 a 0 0 0 0 0 2026 125.117 4.678 8.277 1 T 3.567e+10 0.00e+00 a 0 0 0 0 0 2027 124.234 4.631 6.937 1 T 6.529e+09 0.00e+00 a 0 0 0 0 0 2028 117.114 4.663 7.984 1 T 3.682e+09 0.00e+00 a 0 0 0 0 0 2029 110.184 4.669 8.453 1 T 1.527e+10 0.00e+00 a 0 0 0 0 0 2030 120.666 4.618 8.092 1 T 4.311e+10 0.00e+00 a 0 0 0 0 0 2031 124.205 4.519 8.998 1 T 1.584e+10 0.00e+00 a 0 0 0 0 0 2032 118.750 4.504 8.920 1 T 1.229e+10 0.00e+00 a 0 0 0 0 0 2033 106.604 4.470 6.016 1 T 3.085e+09 0.00e+00 a 0 0 0 0 0 2034 106.845 4.468 5.899 1 T 3.951e+09 0.00e+00 a 0 0 0 0 0 2035 102.562 4.471 8.046 1 T 1.170e+10 0.00e+00 a 0 0 0 0 0 2036 95.645 4.487 6.114 1 T 3.531e+09 0.00e+00 a 0 0 0 0 0 2037 127.092 4.448 9.072 1 T 4.260e+09 0.00e+00 a 0 0 0 0 0 2038 126.348 4.427 8.984 1 T 4.418e+09 0.00e+00 a 0 0 0 0 0 2039 126.439 4.411 8.553 1 T 1.079e+10 0.00e+00 a 0 0 0 0 0 2040 124.321 4.450 9.216 1 T 1.161e+10 0.00e+00 a 0 0 0 0 0 2041 124.140 4.431 9.115 1 T 1.641e+10 0.00e+00 a 0 0 0 0 0 2042 123.252 4.425 7.695 1 T 2.215e+10 0.00e+00 a 0 0 0 0 0 2043 122.770 4.448 8.861 1 T 4.655e+10 0.00e+00 a 0 0 0 0 0 2044 121.412 4.406 8.683 1 T 5.263e+09 0.00e+00 a 0 0 0 0 0 2045 112.098 4.404 6.776 1 T 5.214e+09 0.00e+00 a 0 0 0 0 0 2046 123.248 4.397 8.614 1 T 1.304e+10 0.00e+00 a 0 0 0 0 0 2047 123.240 4.361 6.852 1 T 1.300e+10 0.00e+00 a 0 0 0 0 0 2048 121.778 4.365 8.415 1 T 9.532e+10 0.00e+00 a 0 0 0 0 0 2049 116.424 4.362 9.157 1 T 4.687e+09 0.00e+00 a 0 0 0 0 0 2050 116.547 4.380 7.631 1 T 7.611e+09 0.00e+00 a 0 0 0 0 0 2051 116.265 4.347 9.171 1 T 4.909e+09 0.00e+00 a 0 0 0 0 0 2052 111.702 4.395 8.633 1 T 4.137e+09 0.00e+00 a 0 0 0 0 0 2053 112.086 4.390 7.300 1 T 3.474e+09 0.00e+00 a 0 0 0 0 0 2054 90.014 4.384 6.699 1 T 3.501e+09 0.00e+00 a 0 0 0 0 0 2055 121.308 4.332 8.346 1 T 1.248e+11 0.00e+00 a 0 0 0 0 0 2056 118.913 4.319 8.589 1 T 3.419e+10 0.00e+00 a 0 0 0 0 0 2057 117.449 4.311 8.165 1 T 1.664e+10 0.00e+00 a 0 0 0 0 0 2058 112.621 4.322 8.015 1 T 2.725e+10 0.00e+00 a 0 0 0 0 0 2059 109.861 4.314 8.535 1 T 5.965e+09 0.00e+00 a 0 0 0 0 0 2060 89.382 4.342 6.367 1 T 3.328e+09 0.00e+00 a 0 0 0 0 0 2061 89.351 4.303 5.874 1 T 4.188e+09 0.00e+00 a 0 0 0 0 0 2062 123.870 4.274 8.301 1 T 5.862e+10 0.00e+00 a 0 0 0 0 0 2063 123.774 4.280 8.214 1 T 4.597e+10 0.00e+00 a 0 0 0 0 0 2064 120.614 4.251 7.908 1 T 1.819e+10 0.00e+00 a 0 0 0 0 0 2065 119.913 4.237 8.457 1 T 6.650e+10 0.00e+00 a 0 0 0 0 0 2066 116.634 4.255 7.986 1 T 5.820e+09 0.00e+00 a 0 0 0 0 0 2067 112.410 4.254 7.515 1 T 3.505e+09 0.00e+00 a 0 0 0 0 0 2068 112.892 4.263 6.912 1 T 2.024e+10 0.00e+00 a 0 0 0 0 0 2069 110.081 4.239 8.449 1 T 2.397e+10 0.00e+00 a 0 0 0 0 0 2070 109.965 4.279 8.018 1 T 2.024e+10 0.00e+00 a 0 0 0 0 0 2071 109.414 4.258 8.317 1 T 2.473e+10 0.00e+00 a 0 0 0 0 0 2072 109.472 4.260 8.208 1 T 4.912e+10 0.00e+00 a 0 0 0 0 0 2073 121.227 4.209 7.823 1 T 4.730e+10 0.00e+00 a 0 0 0 0 0 2074 120.616 4.224 8.089 1 T 4.909e+10 0.00e+00 a 0 0 0 0 0 2075 120.154 4.228 7.628 1 T 2.127e+10 0.00e+00 a 0 0 0 0 0 2076 118.651 4.212 8.406 1 T 3.953e+10 0.00e+00 a 0 0 0 0 0 2077 115.236 4.188 8.975 1 T 1.266e+10 0.00e+00 a 0 0 0 0 0 2078 113.285 4.204 9.240 1 T 4.875e+09 0.00e+00 a 0 0 0 0 0 2079 112.179 4.189 7.594 1 T 5.317e+09 0.00e+00 a 0 0 0 0 0 2080 108.766 4.194 8.112 1 T 3.787e+10 0.00e+00 a 0 0 0 0 0 2081 124.190 4.166 6.936 1 T 1.484e+10 0.00e+00 a 0 0 0 0 0 2082 122.412 4.173 8.763 1 T 4.455e+09 0.00e+00 a 0 0 0 0 0 2083 89.683 4.156 6.511 1 T 3.561e+09 0.00e+00 a 0 0 0 0 0 2084 124.079 4.071 8.985 1 T 2.636e+10 0.00e+00 a 0 0 0 0 0 2085 119.740 4.079 7.062 1 T 1.348e+10 0.00e+00 a 0 0 0 0 0 2086 118.852 4.074 8.765 1 T 4.965e+09 0.00e+00 a 0 0 0 0 0 2087 114.181 4.122 8.892 1 T 4.696e+10 0.00e+00 a 0 0 0 0 0 2088 96.611 4.087 5.857 1 T 3.741e+09 0.00e+00 a 0 0 0 0 0 2089 89.690 4.078 6.098 1 T 3.803e+09 0.00e+00 a 0 0 0 0 0 2090 126.026 4.039 8.016 1 T 4.052e+10 0.00e+00 a 0 0 0 0 0 2091 123.561 4.042 7.707 1 T 2.499e+10 0.00e+00 a 0 0 0 0 0 2092 96.686 4.068 6.323 1 T 3.905e+09 0.00e+00 a 0 0 0 0 0 2093 83.011 4.028 6.512 1 T 4.293e+09 0.00e+00 a 0 0 0 0 0 2094 125.508 4.007 7.887 1 T 4.030e+09 0.00e+00 a 0 0 0 0 0 2095 112.128 3.958 7.610 1 T 5.936e+09 0.00e+00 a 0 0 0 0 0 2096 90.079 3.974 6.515 1 T 4.111e+09 0.00e+00 a 0 0 0 0 0 2097 89.899 3.991 6.095 1 T 3.882e+09 0.00e+00 a 0 0 0 0 0 2098 120.476 3.944 8.120 1 T 2.254e+10 0.00e+00 a 0 0 0 0 0 2099 117.474 3.912 8.877 1 T 5.880e+09 0.00e+00 a 0 0 0 0 0 2100 112.180 3.949 7.786 1 T 4.932e+10 0.00e+00 a 0 0 0 0 0 2101 105.821 3.930 8.216 1 T 5.179e+09 0.00e+00 a 0 0 0 0 0 2102 90.008 3.906 5.886 1 T 3.919e+09 0.00e+00 a 0 0 0 0 0 2103 122.304 3.894 8.863 1 T 1.068e+10 0.00e+00 a 0 0 0 0 0 2104 119.938 3.880 7.309 1 T 6.298e+09 0.00e+00 a 0 0 0 0 0 2105 119.100 3.879 8.597 1 T 2.901e+10 0.00e+00 a 0 0 0 0 0 2106 116.325 3.875 8.371 1 T 1.171e+10 0.00e+00 a 0 0 0 0 0 2107 104.727 3.847 8.181 1 T 4.772e+09 0.00e+00 a 0 0 0 0 0 2108 102.549 3.856 8.044 1 T 3.965e+10 0.00e+00 a 0 0 0 0 0 2109 89.969 3.886 6.222 1 T 3.764e+09 0.00e+00 a 0 0 0 0 0 2110 121.902 3.796 9.064 1 T 3.813e+09 0.00e+00 a 0 0 0 0 0 2111 118.093 3.824 8.268 1 T 8.997e+09 0.00e+00 a 0 0 0 0 0 2112 104.105 3.837 8.168 1 T 4.953e+09 0.00e+00 a 0 0 0 0 0 2113 103.130 3.839 8.149 1 T 5.152e+09 0.00e+00 a 0 0 0 0 0 2114 118.472 3.751 8.778 1 T 5.144e+09 0.00e+00 a 0 0 0 0 0 2115 117.225 3.779 8.162 1 T 7.578e+09 0.00e+00 a 0 0 0 0 0 2116 114.150 3.735 8.892 1 T 1.839e+10 0.00e+00 a 0 0 0 0 0 2117 122.499 3.669 8.259 1 T 9.594e+09 0.00e+00 a 0 0 0 0 0 2118 122.478 3.663 7.619 1 T 8.872e+09 0.00e+00 a 0 0 0 0 0 2119 119.892 3.643 7.911 1 T 6.411e+09 0.00e+00 a 0 0 0 0 0 2120 110.093 3.653 8.448 1 T 5.529e+09 0.00e+00 a 0 0 0 0 0 2121 120.204 3.594 7.891 1 T 6.542e+09 0.00e+00 a 0 0 0 0 0 2122 120.205 3.582 7.631 1 T 8.834e+09 0.00e+00 a 0 0 0 0 0 2123 118.738 3.600 8.408 1 T 2.354e+10 0.00e+00 a 0 0 0 0 0 2124 124.691 3.551 9.025 1 T 5.342e+09 0.00e+00 a 0 0 0 0 0 2125 120.015 3.535 7.312 1 T 1.049e+10 0.00e+00 a 0 0 0 0 0 2126 118.800 3.519 8.487 1 T 2.122e+10 0.00e+00 a 0 0 0 0 0 2127 109.514 3.537 8.320 1 T 2.167e+10 0.00e+00 a 0 0 0 0 0 2128 77.049 3.553 5.803 1 T 3.480e+09 0.00e+00 a 0 0 0 0 0 2129 138.498 3.474 7.344 1 T 3.640e+09 0.00e+00 a 0 0 0 0 0 2130 120.585 3.477 7.807 1 T 2.659e+10 0.00e+00 a 0 0 0 0 0 2131 131.220 3.424 5.857 1 T 4.450e+09 0.00e+00 a 0 0 0 0 0 2132 123.610 3.418 7.711 1 T 7.931e+09 0.00e+00 a 0 0 0 0 0 2133 112.019 3.433 7.292 1 T 9.259e+09 0.00e+00 a 0 0 0 0 0 2134 112.155 3.428 6.770 1 T 7.863e+09 0.00e+00 a 0 0 0 0 0 2135 111.394 3.440 8.640 1 T 3.730e+09 0.00e+00 a 0 0 0 0 0 2136 83.059 3.404 5.922 1 T 4.150e+09 0.00e+00 a 0 0 0 0 0 2137 82.935 3.449 5.811 1 T 3.517e+09 0.00e+00 a 0 0 0 0 0 2138 123.230 3.363 6.854 1 T 1.501e+10 0.00e+00 a 0 0 0 0 0 2139 122.207 3.380 8.413 1 T 1.971e+10 0.00e+00 a 0 0 0 0 0 2140 118.756 3.398 8.925 1 T 2.093e+10 0.00e+00 a 0 0 0 0 0 2141 110.622 3.394 8.480 1 T 4.454e+09 0.00e+00 a 0 0 0 0 0 2142 110.935 3.387 8.318 1 T 2.434e+10 0.00e+00 a 0 0 0 0 0 2143 108.540 3.391 8.110 1 T 2.570e+10 0.00e+00 a 0 0 0 0 0 2144 107.966 3.330 5.805 1 T 5.104e+09 0.00e+00 a 0 0 0 0 0 2145 121.215 3.275 8.126 1 T 3.726e+09 0.00e+00 a 0 0 0 0 0 2146 113.187 3.280 9.236 1 T 9.977e+09 0.00e+00 a 0 0 0 0 0 2147 100.096 3.257 5.809 1 T 3.708e+09 0.00e+00 a 0 0 0 0 0 2148 95.522 3.285 6.235 1 T 3.658e+09 0.00e+00 a 0 0 0 0 0 2149 84.903 3.248 7.346 1 T 8.902e+09 0.00e+00 a 0 0 0 0 0 2150 83.465 3.252 7.270 1 T 7.589e+09 0.00e+00 a 0 0 0 0 0 2151 81.337 3.281 11.208 1 T 4.083e+09 0.00e+00 a 0 0 0 0 0 2152 130.809 3.198 10.664 1 T 7.565e+09 0.00e+00 a 0 0 0 0 0 2153 126.614 3.194 8.442 1 T 8.445e+09 0.00e+00 a 0 0 0 0 0 2154 121.569 3.209 9.209 1 T 4.160e+09 0.00e+00 a 0 0 0 0 0 2155 112.907 3.208 6.915 1 T 8.077e+09 0.00e+00 a 0 0 0 0 0 2156 125.189 3.144 8.285 1 T 9.472e+09 0.00e+00 a 0 0 0 0 0 2157 124.613 3.130 9.025 1 T 4.100e+09 0.00e+00 a 0 0 0 0 0 2158 124.202 3.145 6.940 1 T 5.516e+09 0.00e+00 a 0 0 0 0 0 2159 120.916 3.133 8.199 1 T 3.343e+09 0.00e+00 a 0 0 0 0 0 2160 119.098 3.178 9.667 1 T 1.038e+10 0.00e+00 a 0 0 0 0 0 2161 118.894 3.161 9.590 1 T 9.447e+09 0.00e+00 a 0 0 0 0 0 2162 116.742 3.126 7.621 1 T 5.644e+09 0.00e+00 a 0 0 0 0 0 2163 108.135 3.158 6.679 1 T 3.868e+09 0.00e+00 a 0 0 0 0 0 2164 85.322 3.173 7.243 1 T 1.103e+10 0.00e+00 a 0 0 0 0 0 2165 126.463 3.088 8.555 1 T 4.333e+09 0.00e+00 a 0 0 0 0 0 2166 123.484 3.125 7.698 1 T 3.740e+09 0.00e+00 a 0 0 0 0 0 2167 122.939 3.078 8.860 1 T 1.778e+10 0.00e+00 a 0 0 0 0 0 2168 120.700 3.119 8.082 1 T 4.848e+09 0.00e+00 a 0 0 0 0 0 2169 82.576 3.111 6.531 1 T 5.141e+09 0.00e+00 a 0 0 0 0 0 2170 123.138 3.042 7.686 1 T 3.871e+09 0.00e+00 a 0 0 0 0 0 2171 120.979 3.028 8.355 1 T 5.570e+09 0.00e+00 a 0 0 0 0 0 2172 120.490 3.041 7.805 1 T 2.347e+10 0.00e+00 a 0 0 0 0 0 2173 111.559 3.016 7.089 1 T 9.156e+09 0.00e+00 a 0 0 0 0 0 2174 82.718 3.058 6.458 1 T 3.789e+09 0.00e+00 a 0 0 0 0 0 2175 124.282 2.978 8.224 1 T 3.896e+09 0.00e+00 a 0 0 0 0 0 2176 122.464 2.964 7.620 1 T 9.856e+09 0.00e+00 a 0 0 0 0 0 2177 118.565 2.989 8.770 1 T 1.367e+10 0.00e+00 a 0 0 0 0 0 2178 117.388 2.963 8.885 1 T 2.336e+10 0.00e+00 a 0 0 0 0 0 2179 140.092 2.940 8.598 1 T 3.527e+09 0.00e+00 a 0 0 0 0 0 2180 115.370 2.948 7.269 1 T 6.502e+09 0.00e+00 a 0 0 0 0 0 2181 115.250 2.941 7.206 1 T 6.686e+09 0.00e+00 a 0 0 0 0 0 2182 102.673 2.936 5.809 1 T 3.901e+09 0.00e+00 a 0 0 0 0 0 2183 89.387 2.943 10.400 1 T 3.318e+09 0.00e+00 a 0 0 0 0 0 2184 118.275 2.899 8.308 1 T 3.754e+09 0.00e+00 a 0 0 0 0 0 2185 117.415 2.869 9.030 1 T 1.436e+10 0.00e+00 a 0 0 0 0 0 2186 85.244 2.853 9.344 1 T 4.838e+09 0.00e+00 a 0 0 0 0 0 2187 124.100 2.820 8.988 1 T 1.563e+10 0.00e+00 a 0 0 0 0 0 2188 121.486 2.809 9.178 1 T 4.396e+09 0.00e+00 a 0 0 0 0 0 2189 117.639 2.822 8.732 1 T 1.072e+10 0.00e+00 a 0 0 0 0 0 2190 116.685 2.834 9.148 1 T 5.024e+09 0.00e+00 a 0 0 0 0 0 2191 115.493 2.824 8.976 1 T 3.740e+10 0.00e+00 a 0 0 0 0 0 2192 113.869 2.822 8.001 1 T 2.040e+10 0.00e+00 a 0 0 0 0 0 2193 113.859 2.829 6.935 1 T 1.944e+10 0.00e+00 a 0 0 0 0 0 2194 121.306 2.753 8.405 1 T 4.131e+09 0.00e+00 a 0 0 0 0 0 2195 119.739 2.747 7.063 1 T 2.372e+10 0.00e+00 a 0 0 0 0 0 2196 109.148 2.787 8.209 1 T 6.873e+09 0.00e+00 a 0 0 0 0 0 2197 126.481 2.695 8.557 1 T 6.191e+09 0.00e+00 a 0 0 0 0 0 2198 119.765 2.720 7.921 1 T 1.446e+10 0.00e+00 a 0 0 0 0 0 2199 118.767 2.699 8.575 1 T 4.028e+10 0.00e+00 a 0 0 0 0 0 2200 131.431 2.634 10.672 1 T 3.803e+09 0.00e+00 a 0 0 0 0 0 2201 120.733 2.674 8.198 1 T 1.180e+10 0.00e+00 a 0 0 0 0 0 2202 120.485 2.648 8.095 1 T 4.871e+10 0.00e+00 a 0 0 0 0 0 2203 82.194 2.644 6.102 1 T 4.373e+09 0.00e+00 a 0 0 0 0 0 2204 118.534 2.618 8.768 1 T 1.489e+10 0.00e+00 a 0 0 0 0 0 2205 116.643 2.590 7.626 1 T 2.169e+10 0.00e+00 a 0 0 0 0 0 2206 109.872 2.565 8.295 1 T 3.724e+09 0.00e+00 a 0 0 0 0 0 2207 122.924 2.464 8.858 1 T 1.741e+10 0.00e+00 a 0 0 0 0 0 2208 108.834 2.500 5.867 1 T 3.413e+09 0.00e+00 a 0 0 0 0 0 2209 145.306 2.429 5.843 1 T 3.877e+09 0.00e+00 a 0 0 0 0 0 2210 137.921 2.443 6.148 1 T 3.217e+09 0.00e+00 a 0 0 0 0 0 2211 137.846 2.434 5.921 1 T 3.376e+09 0.00e+00 a 0 0 0 0 0 2212 116.310 2.412 8.620 1 T 3.390e+09 0.00e+00 a 0 0 0 0 0 2213 109.150 2.441 8.215 1 T 7.272e+09 0.00e+00 a 0 0 0 0 0 2214 124.188 2.380 6.941 1 T 3.568e+09 0.00e+00 a 0 0 0 0 0 2215 114.703 2.399 7.245 1 T 3.445e+09 0.00e+00 a 0 0 0 0 0 2216 111.544 2.364 7.105 1 T 7.417e+09 0.00e+00 a 0 0 0 0 0 2217 119.806 2.335 7.918 1 T 3.028e+10 0.00e+00 a 0 0 0 0 0 2218 119.960 2.338 7.311 1 T 1.398e+10 0.00e+00 a 0 0 0 0 0 2219 118.922 2.339 9.570 1 T 4.824e+09 0.00e+00 a 0 0 0 0 0 2220 114.219 2.300 8.894 1 T 1.371e+10 0.00e+00 a 0 0 0 0 0 2221 112.191 2.338 7.522 1 T 2.247e+10 0.00e+00 a 0 0 0 0 0 2222 122.364 2.250 7.617 1 T 2.030e+10 0.00e+00 a 0 0 0 0 0 2223 112.858 2.283 6.911 1 T 3.241e+10 0.00e+00 a 0 0 0 0 0 2224 112.221 2.256 7.796 1 T 8.093e+09 0.00e+00 a 0 0 0 0 0 2225 108.700 2.255 8.113 1 T 1.000e+10 0.00e+00 a 0 0 0 0 0 2226 108.625 2.241 6.764 1 T 6.763e+09 0.00e+00 a 0 0 0 0 0 2227 108.330 2.249 6.664 1 T 5.345e+09 0.00e+00 a 0 0 0 0 0 2228 106.970 2.256 5.811 1 T 4.190e+09 0.00e+00 a 0 0 0 0 0 2229 88.776 2.249 5.998 1 T 4.002e+09 0.00e+00 a 0 0 0 0 0 2230 78.292 2.255 5.850 1 T 3.440e+09 0.00e+00 a 0 0 0 0 0 2231 130.774 2.222 10.657 1 T 9.655e+09 0.00e+00 a 0 0 0 0 0 2232 126.583 2.204 8.443 1 T 6.134e+09 0.00e+00 a 0 0 0 0 0 2233 124.081 2.223 8.984 1 T 1.179e+10 0.00e+00 a 0 0 0 0 0 2234 118.518 2.221 8.768 1 T 1.165e+10 0.00e+00 a 0 0 0 0 0 2235 123.419 2.156 7.707 1 T 9.496e+09 0.00e+00 a 0 0 0 0 0 2236 121.469 2.165 8.617 1 T 4.939e+09 0.00e+00 a 0 0 0 0 0 2237 118.374 2.170 8.400 1 T 5.012e+10 0.00e+00 a 0 0 0 0 0 2238 116.749 2.153 7.620 1 T 6.305e+09 0.00e+00 a 0 0 0 0 0 2239 115.435 2.127 8.972 1 T 1.215e+10 0.00e+00 a 0 0 0 0 0 2240 124.271 2.098 6.939 1 T 4.543e+09 0.00e+00 a 0 0 0 0 0 2241 114.228 2.093 8.894 1 T 1.322e+10 0.00e+00 a 0 0 0 0 0 2242 109.973 2.082 8.018 1 T 2.787e+10 0.00e+00 a 0 0 0 0 0 2243 132.059 2.052 5.930 1 T 3.109e+09 0.00e+00 a 0 0 0 0 0 2244 125.322 2.064 5.899 1 T 6.000e+09 0.00e+00 a 0 0 0 0 0 2245 121.305 2.064 7.829 1 T 8.994e+10 0.00e+00 a 0 0 0 0 0 2246 120.983 2.038 8.349 1 T 9.541e+10 0.00e+00 a 0 0 0 0 0 2247 125.805 1.984 5.925 1 T 4.996e+09 0.00e+00 a 0 0 0 0 0 2248 121.675 1.964 9.203 1 T 8.067e+09 0.00e+00 a 0 0 0 0 0 2249 119.767 2.007 7.066 1 T 1.091e+10 0.00e+00 a 0 0 0 0 0 2250 118.608 1.973 8.574 1 T 1.100e+10 0.00e+00 a 0 0 0 0 0 2251 117.340 1.998 8.887 1 T 1.395e+10 0.00e+00 a 0 0 0 0 0 2252 110.172 2.002 8.450 1 T 9.380e+09 0.00e+00 a 0 0 0 0 0 2253 109.352 1.972 8.210 1 T 1.451e+10 0.00e+00 a 0 0 0 0 0 2254 108.705 1.986 8.115 1 T 1.097e+10 0.00e+00 a 0 0 0 0 0 2255 83.343 1.979 5.960 1 T 3.269e+09 0.00e+00 a 0 0 0 0 0 2256 125.806 1.907 6.258 1 T 3.403e+09 0.00e+00 a 0 0 0 0 0 2257 124.162 1.943 9.579 1 T 1.587e+10 0.00e+00 a 0 0 0 0 0 2258 122.036 1.915 9.014 1 T 4.179e+09 0.00e+00 a 0 0 0 0 0 2259 122.208 1.943 8.858 1 T 2.465e+10 0.00e+00 a 0 0 0 0 0 2260 120.735 1.927 8.090 1 T 2.662e+10 0.00e+00 a 0 0 0 0 0 2261 120.084 1.921 8.450 1 T 5.296e+10 0.00e+00 a 0 0 0 0 0 2262 119.978 1.944 7.306 1 T 6.536e+09 0.00e+00 a 0 0 0 0 0 2263 118.915 1.914 9.658 1 T 4.904e+09 0.00e+00 a 0 0 0 0 0 2264 113.270 1.922 9.241 1 T 9.162e+09 0.00e+00 a 0 0 0 0 0 2265 112.100 1.930 8.751 1 T 4.446e+09 0.00e+00 a 0 0 0 0 0 2266 112.046 1.919 8.618 1 T 4.114e+09 0.00e+00 a 0 0 0 0 0 2267 112.118 1.942 7.770 1 T 6.894e+09 0.00e+00 a 0 0 0 0 0 2268 112.092 1.909 7.525 1 T 4.238e+09 0.00e+00 a 0 0 0 0 0 2269 83.389 1.938 7.361 1 T 4.995e+09 0.00e+00 a 0 0 0 0 0 2270 83.284 1.933 5.889 1 T 3.400e+09 0.00e+00 a 0 0 0 0 0 2271 124.342 1.879 9.217 1 T 1.053e+10 0.00e+00 a 0 0 0 0 0 2272 124.078 1.879 9.122 1 T 1.391e+10 0.00e+00 a 0 0 0 0 0 2273 122.247 1.874 9.140 1 T 5.112e+09 0.00e+00 a 0 0 0 0 0 2274 121.249 1.875 8.238 1 T 4.232e+10 0.00e+00 a 0 0 0 0 0 2275 118.849 1.853 9.573 1 T 1.076e+10 0.00e+00 a 0 0 0 0 0 2276 116.777 1.890 7.620 1 T 4.315e+09 0.00e+00 a 0 0 0 0 0 2277 116.072 1.873 8.374 1 T 1.085e+10 0.00e+00 a 0 0 0 0 0 2278 111.403 1.892 7.097 1 T 7.385e+09 0.00e+00 a 0 0 0 0 0 2279 130.845 1.833 10.659 1 T 1.362e+10 0.00e+00 a 0 0 0 0 0 2280 126.935 1.813 9.053 1 T 2.000e+10 0.00e+00 a 0 0 0 0 0 2281 123.197 1.826 8.614 1 T 1.355e+10 0.00e+00 a 0 0 0 0 0 2282 123.444 1.798 6.851 1 T 5.772e+09 0.00e+00 a 0 0 0 0 0 2283 112.013 1.836 7.291 1 T 1.193e+10 0.00e+00 a 0 0 0 0 0 2284 112.214 1.835 6.767 1 T 9.595e+09 0.00e+00 a 0 0 0 0 0 2285 84.763 1.800 7.352 1 T 4.542e+09 0.00e+00 a 0 0 0 0 0 2286 83.399 1.833 7.266 1 T 9.392e+09 0.00e+00 a 0 0 0 0 0 2287 127.313 1.768 9.539 1 T 1.377e+10 0.00e+00 a 0 0 0 0 0 2288 121.743 1.792 8.420 1 T 7.149e+10 0.00e+00 a 0 0 0 0 0 2289 121.214 1.746 8.111 1 T 2.598e+10 0.00e+00 a 0 0 0 0 0 2290 118.607 1.766 8.769 1 T 8.194e+09 0.00e+00 a 0 0 0 0 0 2291 85.085 1.755 9.333 1 T 7.927e+09 0.00e+00 a 0 0 0 0 0 2292 126.909 1.706 8.925 1 T 3.106e+10 0.00e+00 a 0 0 0 0 0 2293 126.568 1.726 8.560 1 T 4.118e+09 0.00e+00 a 0 0 0 0 0 2294 123.717 1.727 8.301 1 T 3.705e+10 0.00e+00 a 0 0 0 0 0 2295 124.239 1.697 6.937 1 T 3.487e+10 0.00e+00 a 0 0 0 0 0 2296 123.376 1.717 8.205 1 T 2.979e+10 0.00e+00 a 0 0 0 0 0 2297 121.785 1.717 8.158 1 T 2.835e+10 0.00e+00 a 0 0 0 0 0 2298 121.805 1.685 7.992 1 T 7.059e+09 0.00e+00 a 0 0 0 0 0 2299 121.651 1.734 8.143 1 T 2.655e+10 0.00e+00 a 0 0 0 0 0 2300 117.689 1.719 9.029 1 T 8.204e+09 0.00e+00 a 0 0 0 0 0 2301 110.211 1.733 8.447 1 T 8.535e+09 0.00e+00 a 0 0 0 0 0 2302 109.934 1.726 8.317 1 T 1.628e+10 0.00e+00 a 0 0 0 0 0 2303 124.516 1.662 6.262 1 T 3.576e+09 0.00e+00 a 0 0 0 0 0 2304 123.228 1.651 7.696 1 T 2.329e+10 0.00e+00 a 0 0 0 0 0 2305 119.137 1.676 8.561 1 T 1.137e+10 0.00e+00 a 0 0 0 0 0 2306 116.575 1.653 9.140 1 T 7.850e+09 0.00e+00 a 0 0 0 0 0 2307 108.760 1.673 6.781 1 T 4.222e+09 0.00e+00 a 0 0 0 0 0 2308 84.850 1.674 7.248 1 T 7.405e+09 0.00e+00 a 0 0 0 0 0 2309 82.504 1.652 6.530 1 T 9.930e+09 0.00e+00 a 0 0 0 0 0 2310 126.566 1.620 8.437 1 T 9.718e+09 0.00e+00 a 0 0 0 0 0 2311 121.377 1.616 9.208 1 T 6.484e+09 0.00e+00 a 0 0 0 0 0 2312 121.128 1.615 7.821 1 T 6.497e+10 0.00e+00 a 0 0 0 0 0 2313 120.139 1.594 7.630 1 T 4.541e+10 0.00e+00 a 0 0 0 0 0 2314 118.503 1.621 8.922 1 T 5.946e+09 0.00e+00 a 0 0 0 0 0 2315 112.147 1.573 6.830 1 T 4.163e+09 0.00e+00 a 0 0 0 0 0 2316 77.107 1.617 8.502 1 T 3.709e+09 0.00e+00 a 0 0 0 0 0 2317 124.295 1.564 9.584 1 T 8.519e+09 0.00e+00 a 0 0 0 0 0 2318 113.537 1.564 9.250 1 T 1.020e+10 0.00e+00 a 0 0 0 0 0 2319 110.085 1.524 8.017 1 T 6.083e+09 0.00e+00 a 0 0 0 0 0 2320 124.474 1.438 8.280 1 T 1.677e+10 0.00e+00 a 0 0 0 0 0 2321 118.902 1.407 8.401 1 T 1.326e+10 0.00e+00 a 0 0 0 0 0 2322 118.457 1.415 5.806 1 T 3.778e+09 0.00e+00 a 0 0 0 0 0 2323 118.257 1.414 5.824 1 T 3.800e+09 0.00e+00 a 0 0 0 0 0 2324 124.489 1.399 8.225 1 T 1.508e+10 0.00e+00 a 0 0 0 0 0 2325 120.028 1.382 7.314 1 T 2.398e+10 0.00e+00 a 0 0 0 0 0 2326 114.590 1.378 6.163 1 T 3.735e+09 0.00e+00 a 0 0 0 0 0 2327 107.972 1.369 5.841 1 T 3.422e+09 0.00e+00 a 0 0 0 0 0 2328 85.611 1.377 9.680 1 T 3.904e+09 0.00e+00 a 0 0 0 0 0 2329 123.191 1.316 8.614 1 T 1.424e+10 0.00e+00 a 0 0 0 0 0 2330 117.098 1.329 8.695 1 T 3.695e+09 0.00e+00 a 0 0 0 0 0 2331 116.984 1.299 8.680 1 T 3.792e+09 0.00e+00 a 0 0 0 0 0 2332 114.184 1.322 5.965 1 T 3.656e+09 0.00e+00 a 0 0 0 0 0 2333 114.248 1.330 5.951 1 T 3.783e+09 0.00e+00 a 0 0 0 0 0 2334 112.569 1.309 8.013 1 T 5.146e+09 0.00e+00 a 0 0 0 0 0 2335 112.048 1.342 7.295 1 T 1.558e+10 0.00e+00 a 0 0 0 0 0 2336 112.067 1.343 6.765 1 T 1.188e+10 0.00e+00 a 0 0 0 0 0 2337 126.598 1.251 8.438 1 T 1.150e+10 0.00e+00 a 0 0 0 0 0 2338 122.780 1.261 8.601 1 T 1.475e+10 0.00e+00 a 0 0 0 0 0 2339 116.631 1.250 9.154 1 T 9.576e+09 0.00e+00 a 0 0 0 0 0 2340 116.761 1.275 8.668 1 T 3.751e+09 0.00e+00 a 0 0 0 0 0 2341 114.393 1.287 5.935 1 T 3.551e+09 0.00e+00 a 0 0 0 0 0 2342 108.581 1.250 6.775 1 T 7.358e+09 0.00e+00 a 0 0 0 0 0 2343 108.586 1.270 6.669 1 T 5.046e+09 0.00e+00 a 0 0 0 0 0 2344 80.473 1.287 7.293 1 T 3.694e+09 0.00e+00 a 0 0 0 0 0 2345 126.030 1.218 8.017 1 T 3.844e+10 0.00e+00 a 0 0 0 0 0 2346 123.395 1.202 7.703 1 T 6.894e+10 0.00e+00 a 0 0 0 0 0 2347 121.553 1.193 8.431 1 T 3.367e+10 0.00e+00 a 0 0 0 0 0 2348 119.158 1.202 9.667 1 T 1.351e+10 0.00e+00 a 0 0 0 0 0 2349 117.523 1.229 9.032 1 T 1.553e+10 0.00e+00 a 0 0 0 0 0 2350 108.536 1.235 8.108 1 T 7.737e+09 0.00e+00 a 0 0 0 0 0 2351 105.027 1.217 7.811 1 T 5.848e+09 0.00e+00 a 0 0 0 0 0 2352 121.462 1.158 8.141 1 T 7.991e+09 0.00e+00 a 0 0 0 0 0 2353 113.347 1.139 9.234 1 T 1.036e+10 0.00e+00 a 0 0 0 0 0 2354 112.751 1.172 6.902 1 T 3.916e+09 0.00e+00 a 0 0 0 0 0 2355 130.872 1.078 10.656 1 T 1.490e+10 0.00e+00 a 0 0 0 0 0 2356 124.257 1.087 9.575 1 T 1.043e+10 0.00e+00 a 0 0 0 0 0 2357 123.278 1.083 6.852 1 T 4.989e+10 0.00e+00 a 0 0 0 0 0 2358 122.428 1.094 7.627 1 T 3.077e+10 0.00e+00 a 0 0 0 0 0 2359 121.902 1.075 7.835 1 T 4.336e+09 0.00e+00 a 0 0 0 0 0 2360 119.094 1.116 8.595 1 T 8.670e+09 0.00e+00 a 0 0 0 0 0 2361 118.537 1.113 8.763 1 T 5.071e+09 0.00e+00 a 0 0 0 0 0 2362 116.456 1.091 8.373 1 T 2.121e+10 0.00e+00 a 0 0 0 0 0 2363 111.132 1.093 8.322 1 T 8.580e+09 0.00e+00 a 0 0 0 0 0 2364 110.100 1.127 8.452 1 T 3.255e+10 0.00e+00 a 0 0 0 0 0 2365 102.539 1.084 8.042 1 T 5.033e+09 0.00e+00 a 0 0 0 0 0 2366 124.050 1.067 6.932 1 T 2.024e+10 0.00e+00 a 0 0 0 0 0 2367 122.876 1.059 8.858 1 T 1.705e+10 0.00e+00 a 0 0 0 0 0 2368 122.314 1.037 8.267 1 T 5.189e+09 0.00e+00 a 0 0 0 0 0 2369 119.820 1.050 7.921 1 T 1.092e+10 0.00e+00 a 0 0 0 0 0 2370 119.068 1.053 8.410 1 T 2.029e+10 0.00e+00 a 0 0 0 0 0 2371 85.524 1.042 6.085 1 T 3.822e+09 0.00e+00 a 0 0 0 0 0 2372 85.555 1.032 5.846 1 T 4.607e+09 0.00e+00 a 0 0 0 0 0 2373 120.210 1.010 7.629 1 T 1.646e+10 0.00e+00 a 0 0 0 0 0 2374 124.203 0.948 8.989 1 T 4.250e+09 0.00e+00 a 0 0 0 0 0 2375 119.991 0.923 7.308 1 T 4.480e+09 0.00e+00 a 0 0 0 0 0 2376 118.694 0.871 8.920 1 T 3.920e+09 0.00e+00 a 0 0 0 0 0 2377 127.386 0.841 9.543 1 T 5.528e+09 0.00e+00 a 0 0 0 0 0 2378 126.013 0.812 8.019 1 T 9.800e+09 0.00e+00 a 0 0 0 0 0 2379 124.229 0.834 9.580 1 T 1.402e+10 0.00e+00 a 0 0 0 0 0 2380 121.187 0.822 7.818 1 T 5.266e+09 0.00e+00 a 0 0 0 0 0 2381 120.354 0.821 8.120 1 T 2.413e+10 0.00e+00 a 0 0 0 0 0 2382 113.179 0.848 9.236 1 T 6.040e+09 0.00e+00 a 0 0 0 0 0 2383 112.189 0.822 7.790 1 T 1.731e+10 0.00e+00 a 0 0 0 0 0 2384 144.436 0.775 5.904 1 T 3.415e+09 0.00e+00 a 0 0 0 0 0 2385 127.361 0.788 9.534 1 T 5.423e+09 0.00e+00 a 0 0 0 0 0 2386 126.620 0.786 8.439 1 T 1.870e+10 0.00e+00 a 0 0 0 0 0 2387 122.664 0.752 8.258 1 T 5.495e+09 0.00e+00 a 0 0 0 0 0 2388 119.331 0.749 9.671 1 T 4.801e+09 0.00e+00 a 0 0 0 0 0 2389 112.884 0.771 6.918 1 T 4.133e+09 0.00e+00 a 0 0 0 0 0 2390 110.005 0.789 8.018 1 T 4.596e+10 0.00e+00 a 0 0 0 0 0 2391 108.582 0.796 8.107 1 T 1.576e+10 0.00e+00 a 0 0 0 0 0 2392 104.943 0.747 7.789 1 T 4.038e+09 0.00e+00 a 0 0 0 0 0 2393 144.777 0.735 5.808 1 T 4.743e+09 0.00e+00 a 0 0 0 0 0 2394 137.275 0.710 6.020 1 T 4.200e+09 0.00e+00 a 0 0 0 0 0 2395 117.532 0.710 9.025 1 T 5.348e+09 0.00e+00 a 0 0 0 0 0 2396 107.072 0.689 5.930 1 T 3.455e+09 0.00e+00 a 0 0 0 0 0 2397 126.851 0.674 8.926 1 T 5.865e+09 0.00e+00 a 0 0 0 0 0 2398 117.449 0.679 6.077 1 T 3.476e+09 0.00e+00 a 0 0 0 0 0 2399 116.703 0.655 9.158 1 T 5.492e+09 0.00e+00 a 0 0 0 0 0 2400 107.299 0.642 5.869 1 T 4.053e+09 0.00e+00 a 0 0 0 0 0 2401 76.679 0.458 5.931 1 T 3.383e+09 0.00e+00 a 0 0 0 0 0 2402 89.574 0.373 6.835 1 T 3.321e+09 0.00e+00 a 0 0 0 0 0 2403 120.567 0.310 5.919 1 T 3.033e+09 0.00e+00 a 0 0 0 0 0 2404 124.105 0.261 8.995 1 T 3.344e+09 0.00e+00 a 0 0 0 0 0 2405 130.833 0.193 5.824 1 T 3.947e+09 0.00e+00 a 0 0 0 0 0 2406 124.024 0.238 8.987 1 T 3.229e+09 0.00e+00 a 0 0 0 0 0 2407 137.212 0.137 6.275 1 T 3.966e+09 0.00e+00 a 0 0 0 0 0 2408 140.472 0.031 7.746 1 T 3.766e+09 0.00e+00 a 0 0 0 0 0 2409 137.129 0.034 6.005 1 T 4.048e+09 0.00e+00 a 0 0 0 0 0 2410 142.021 -0.007 8.993 1 T 4.168e+09 0.00e+00 a 0 0 0 0 0 2411 137.247 -0.000 6.798 1 T 3.787e+09 0.00e+00 a 0 0 0 0 0 2412 118.773 -0.027 6.038 1 T 4.415e+09 0.00e+00 a 0 0 0 0 0 2413 119.142 -0.072 6.218 1 T 4.081e+09 0.00e+00 a 0 0 0 0 0 2414 119.165 -0.048 5.806 1 T 4.043e+09 0.00e+00 a 0 0 0 0 0 2415 118.913 -0.066 6.114 1 T 5.098e+09 0.00e+00 a 0 0 0 0 0 2416 118.905 -0.051 5.948 1 T 5.019e+09 0.00e+00 a 0 0 0 0 0 2417 81.430 -0.072 5.812 1 T 4.439e+09 0.00e+00 a 0 0 0 0 0 2418 119.859 -0.117 7.314 1 T 7.276e+09 0.00e+00 a 0 0 0 0 0 2419 106.970 -0.184 5.917 1 T 3.536e+09 0.00e+00 a 0 0 0 0 0 2420 113.178 -0.254 6.294 1 T 3.821e+09 0.00e+00 a 0 0 0 0 0 2421 107.071 -0.233 5.907 1 T 3.650e+09 0.00e+00 a 0 0 0 0 0 2422 132.247 -0.423 6.037 1 T 3.814e+09 0.00e+00 a 0 0 0 0 0 2423 131.845 -0.409 5.880 1 T 3.821e+09 0.00e+00 a 0 0 0 0 0 2424 88.705 -0.373 6.028 1 T 3.923e+09 0.00e+00 a 0 0 0 0 0 2425 111.451 -0.601 10.577 1 T 3.660e+09 0.00e+00 a 0 0 0 0 0 2426 103.982 -0.663 5.878 1 T 4.159e+09 0.00e+00 a 0 0 0 0 0 2427 103.399 -0.705 5.950 1 T 5.566e+09 0.00e+00 a 0 0 0 0 0 2428 112.943 -0.859 5.843 1 T 3.529e+09 0.00e+00 a 0 0 0 0 0 2429 124.419 -0.960 6.380 1 T 3.409e+09 0.00e+00 a 0 0 0 0 0 2430 90.424 -0.974 6.047 1 T 3.619e+09 0.00e+00 a 0 0 0 0 0 2431 88.598 -0.933 8.809 1 T 3.839e+09 0.00e+00 a 0 0 0 0 0 2432 137.661 -1.143 10.451 1 T 4.018e+09 0.00e+00 a 0 0 0 0 0 2433 134.560 -1.292 8.311 1 T 3.995e+09 0.00e+00 a 0 0 0 0 0 2434 142.114 -1.393 10.405 1 T 4.178e+09 0.00e+00 a 0 0 0 0 0 2435 108.032 -1.547 5.893 1 T 3.622e+09 0.00e+00 a 0 0 0 0 0 2436 90.195 -1.697 6.108 1 T 3.601e+09 0.00e+00 a 0 0 0 0 0 2437 143.717 -1.863 5.905 1 T 4.039e+09 0.00e+00 a 0 0 0 0 0 2438 143.578 -1.882 5.996 1 T 4.675e+09 0.00e+00 a 0 0 0 0 0 2439 143.453 -1.906 5.980 1 T 4.881e+09 0.00e+00 a 0 0 0 0 0 2440 140.672 -1.897 10.781 1 T 3.571e+09 0.00e+00 a 0 0 0 0 0 2441 124.515 -2.035 5.984 1 T 5.170e+09 0.00e+00 a 0 0 0 0 0 2442 119.570 -2.136 5.877 1 T 3.491e+09 0.00e+00 a 0 0 0 0 0 2443 137.675 -2.145 5.905 1 T 3.922e+09 0.00e+00 a 0 0 0 0 0 2444 119.644 -2.193 5.846 1 T 3.860e+09 0.00e+00 a 0 0 0 0 0 2445 137.271 -2.205 6.128 1 T 3.739e+09 0.00e+00 a 0 0 0 0 0 2446 119.922 -2.212 5.819 1 T 4.303e+09 0.00e+00 a 0 0 0 0 0 2447 103.369 -2.246 8.826 1 T 5.513e+09 0.00e+00 a 0 0 0 0 0 2448 103.332 -2.230 8.711 1 T 5.612e+09 0.00e+00 a 0 0 0 0 0 2449 105.470 -2.264 8.255 1 T 3.824e+09 0.00e+00 a 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-aliphatic . aliased 15 ppm . . . 4.7 . . 34745 1 2 . . C 13 C-aliphatic . . 80 ppm . . . 43 . . 34745 1 3 . . N 15 HN . . 36 ppm . . . 118 . . 34745 1 stop_ save_