data_31018 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31018 _Entry.Title ; NMR solution structure of the De novo designed small beta-barrel protein 33_bp_sh3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-04 _Entry.Accession_date 2022-05-04 _Entry.Last_release_date 2022-05-31 _Entry.Original_release_date 2022-05-31 _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 F. Peterson F. C. . . 31018 2 D. Kim D. E. . . 31018 3 D. Jensen D. R. . . 31018 4 A. Saleem A. . . . 31018 5 C. Chow C. M. . . 31018 6 B. Volkman B. F. . . 31018 7 D. Baker D. . . . 31018 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 31018 'high-throughput screening' . 31018 'machine learning' . 31018 'protein design' . 31018 'small beta barrels' . 31018 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31018 spectral_peak_list 3 31018 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 31018 '15N chemical shifts' 60 31018 '1H chemical shifts' 389 31018 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 . . 2023-03-14 . original BMRB . 31018 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7UWZ 'BMRB Entry Tracking System' 31018 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31018 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36897987 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; De novo design of small beta barrel proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 120 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2207974120 _Citation.Page_last e2207974120 _Citation.Year 2023 _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 D. Kim D. E. . . 31018 1 2 D. Jensen D. R. . . 31018 1 3 D. Feldman D. . . . 31018 1 4 D. Tischer D. . . . 31018 1 5 A. Saleem A. . . . 31018 1 6 C. Chow C. M. . . 31018 1 7 X. Li X. . . . 31018 1 8 L. Carter L. . . . 31018 1 9 L. Milles L. . . . 31018 1 10 H. Nguyen H. . . . 31018 1 11 A. Kang A. . . . 31018 1 12 A. Bera A. K. . . 31018 1 13 F. Peterson F. C. . . 31018 1 14 B. Volkman B. F. . . 31018 1 15 S. Ovchinnikov S. . . . 31018 1 16 D. Baker D. . . . 31018 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31018 _Assembly.ID 1 _Assembly.Name 'De novo designed small beta-barrel protein 33_bp_sh3' _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 . . . . . . 31018 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31018 _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 ; MDGFDRGADVTYTDSDGSKK TYKVLSYSGDKVTVQDSDGR TLTFDARLLRVKKWLEHHHH HH ; _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 62 _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 7175.926 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 31018 1 2 . ASP . 31018 1 3 . GLY . 31018 1 4 . PHE . 31018 1 5 . ASP . 31018 1 6 . ARG . 31018 1 7 . GLY . 31018 1 8 . ALA . 31018 1 9 . ASP . 31018 1 10 . VAL . 31018 1 11 . THR . 31018 1 12 . TYR . 31018 1 13 . THR . 31018 1 14 . ASP . 31018 1 15 . SER . 31018 1 16 . ASP . 31018 1 17 . GLY . 31018 1 18 . SER . 31018 1 19 . LYS . 31018 1 20 . LYS . 31018 1 21 . THR . 31018 1 22 . TYR . 31018 1 23 . LYS . 31018 1 24 . VAL . 31018 1 25 . LEU . 31018 1 26 . SER . 31018 1 27 . TYR . 31018 1 28 . SER . 31018 1 29 . GLY . 31018 1 30 . ASP . 31018 1 31 . LYS . 31018 1 32 . VAL . 31018 1 33 . THR . 31018 1 34 . VAL . 31018 1 35 . GLN . 31018 1 36 . ASP . 31018 1 37 . SER . 31018 1 38 . ASP . 31018 1 39 . GLY . 31018 1 40 . ARG . 31018 1 41 . THR . 31018 1 42 . LEU . 31018 1 43 . THR . 31018 1 44 . PHE . 31018 1 45 . ASP . 31018 1 46 . ALA . 31018 1 47 . ARG . 31018 1 48 . LEU . 31018 1 49 . LEU . 31018 1 50 . ARG . 31018 1 51 . VAL . 31018 1 52 . LYS . 31018 1 53 . LYS . 31018 1 54 . TRP . 31018 1 55 . LEU . 31018 1 56 . GLU . 31018 1 57 . HIS . 31018 1 58 . HIS . 31018 1 59 . HIS . 31018 1 60 . HIS . 31018 1 61 . HIS . 31018 1 62 . HIS . 31018 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 31018 1 . ASP 2 2 31018 1 . GLY 3 3 31018 1 . PHE 4 4 31018 1 . ASP 5 5 31018 1 . ARG 6 6 31018 1 . GLY 7 7 31018 1 . ALA 8 8 31018 1 . ASP 9 9 31018 1 . VAL 10 10 31018 1 . THR 11 11 31018 1 . TYR 12 12 31018 1 . THR 13 13 31018 1 . ASP 14 14 31018 1 . SER 15 15 31018 1 . ASP 16 16 31018 1 . GLY 17 17 31018 1 . SER 18 18 31018 1 . LYS 19 19 31018 1 . LYS 20 20 31018 1 . THR 21 21 31018 1 . TYR 22 22 31018 1 . LYS 23 23 31018 1 . VAL 24 24 31018 1 . LEU 25 25 31018 1 . SER 26 26 31018 1 . TYR 27 27 31018 1 . SER 28 28 31018 1 . GLY 29 29 31018 1 . ASP 30 30 31018 1 . LYS 31 31 31018 1 . VAL 32 32 31018 1 . THR 33 33 31018 1 . VAL 34 34 31018 1 . GLN 35 35 31018 1 . ASP 36 36 31018 1 . SER 37 37 31018 1 . ASP 38 38 31018 1 . GLY 39 39 31018 1 . ARG 40 40 31018 1 . THR 41 41 31018 1 . LEU 42 42 31018 1 . THR 43 43 31018 1 . PHE 44 44 31018 1 . ASP 45 45 31018 1 . ALA 46 46 31018 1 . ARG 47 47 31018 1 . LEU 48 48 31018 1 . LEU 49 49 31018 1 . ARG 50 50 31018 1 . VAL 51 51 31018 1 . LYS 52 52 31018 1 . LYS 53 53 31018 1 . TRP 54 54 31018 1 . LEU 55 55 31018 1 . GLU 56 56 31018 1 . HIS 57 57 31018 1 . HIS 58 58 31018 1 . HIS 59 59 31018 1 . HIS 60 60 31018 1 . HIS 61 61 31018 1 . HIS 62 62 31018 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 31018 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 31018 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 31018 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . plasmid . . pET29a . . . 31018 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31018 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.25 mM [U-13C; U-15N] 33_bp_sh3, 50 mM sodium phosphate, 50 mM sodium chloride, 0.02 % w/v sodium azide, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 33_bp_sh3 '[U-13C; U-15N]' . . 1 $entity_1 . . 1.25 . . mM . . . . 31018 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 31018 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31018 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 31018 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31018 _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' 132 . mM 31018 1 pH 6.5 . pH 31018 1 pressure 1 . atm 31018 1 temperature 298 . K 31018 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31018 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31018 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31018 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31018 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31018 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31018 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31018 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 31018 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31018 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31018 _Software.ID 4 _Software.Type . _Software.Name GARANT _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, Guntert, Billeter and Wuthrich' . . 31018 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31018 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31018 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31018 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31018 5 'structure calculation' . 31018 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31018 _Software.ID 6 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31018 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 31018 6 refinement . 31018 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 31018 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 31018 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31018 7 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 31018 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 31018 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 600 . . . 31018 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 31018 _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 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31018 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31018 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31018 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 31018 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.251449530 . . . . . 31018 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 31018 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.101329118 . . . . . 31018 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 31018 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 31018 1 2 '3D 1H-13C NOESY aliphatic' . . . 31018 1 3 '3D 1H-13C NOESY aromatic' . . . 31018 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 3.980 0.000 . . . . . . A 1 MET HA . 31018 1 2 . 1 . 1 1 1 MET HB2 H 1 2.056 0.000 . . . . . . A 1 MET HB2 . 31018 1 3 . 1 . 1 1 1 MET HB3 H 1 2.056 0.000 . . . . . . A 1 MET HB3 . 31018 1 4 . 1 . 1 1 1 MET HG2 H 1 2.558 0.000 . . . . . . A 1 MET HG2 . 31018 1 5 . 1 . 1 1 1 MET HG3 H 1 2.558 0.000 . . . . . . A 1 MET HG3 . 31018 1 6 . 1 . 1 1 1 MET HE1 H 1 2.042 0.000 . . . . . . A 1 MET HE1 . 31018 1 7 . 1 . 1 1 1 MET HE2 H 1 2.042 0.000 . . . . . . A 1 MET HE2 . 31018 1 8 . 1 . 1 1 1 MET HE3 H 1 2.042 0.000 . . . . . . A 1 MET HE3 . 31018 1 9 . 1 . 1 1 1 MET CA C 13 55.786 0.000 . . . . . . A 1 MET CA . 31018 1 10 . 1 . 1 1 1 MET CB C 13 34.098 0.000 . . . . . . A 1 MET CB . 31018 1 11 . 1 . 1 1 1 MET CG C 13 31.509 0.000 . . . . . . A 1 MET CG . 31018 1 12 . 1 . 1 1 1 MET CE C 13 17.290 0.000 . . . . . . A 1 MET CE . 31018 1 13 . 1 . 1 2 2 ASP HA H 1 4.614 0.000 . . . . . . A 2 ASP HA . 31018 1 14 . 1 . 1 2 2 ASP HB2 H 1 2.686 0.000 . . . . . . A 2 ASP HB2 . 31018 1 15 . 1 . 1 2 2 ASP HB3 H 1 2.613 0.000 . . . . . . A 2 ASP HB3 . 31018 1 16 . 1 . 1 2 2 ASP C C 13 175.851 0.000 . . . . . . A 2 ASP C . 31018 1 17 . 1 . 1 2 2 ASP CA C 13 55.152 0.000 . . . . . . A 2 ASP CA . 31018 1 18 . 1 . 1 2 2 ASP CB C 13 41.990 0.000 . . . . . . A 2 ASP CB . 31018 1 19 . 1 . 1 3 3 GLY H H 1 8.243 0.000 . . . . . . A 3 GLY H . 31018 1 20 . 1 . 1 3 3 GLY HA2 H 1 3.789 0.000 . . . . . . A 3 GLY HA2 . 31018 1 21 . 1 . 1 3 3 GLY HA3 H 1 3.639 0.000 . . . . . . A 3 GLY HA3 . 31018 1 22 . 1 . 1 3 3 GLY C C 13 173.809 0.000 . . . . . . A 3 GLY C . 31018 1 23 . 1 . 1 3 3 GLY CA C 13 45.498 0.000 . . . . . . A 3 GLY CA . 31018 1 24 . 1 . 1 3 3 GLY N N 15 108.112 0.000 . . . . . . A 3 GLY N . 31018 1 25 . 1 . 1 4 4 PHE H H 1 7.592 0.000 . . . . . . A 4 PHE H . 31018 1 26 . 1 . 1 4 4 PHE HA H 1 4.501 0.000 . . . . . . A 4 PHE HA . 31018 1 27 . 1 . 1 4 4 PHE HB2 H 1 2.897 0.000 . . . . . . A 4 PHE HB2 . 31018 1 28 . 1 . 1 4 4 PHE HB3 H 1 2.586 0.000 . . . . . . A 4 PHE HB3 . 31018 1 29 . 1 . 1 4 4 PHE HD1 H 1 6.842 0.000 . . . . . . A 4 PHE HD1 . 31018 1 30 . 1 . 1 4 4 PHE HD2 H 1 6.842 0.000 . . . . . . A 4 PHE HD2 . 31018 1 31 . 1 . 1 4 4 PHE HE1 H 1 7.129 0.000 . . . . . . A 4 PHE HE1 . 31018 1 32 . 1 . 1 4 4 PHE HE2 H 1 7.129 0.000 . . . . . . A 4 PHE HE2 . 31018 1 33 . 1 . 1 4 4 PHE HZ H 1 7.235 0.000 . . . . . . A 4 PHE HZ . 31018 1 34 . 1 . 1 4 4 PHE C C 13 174.595 0.000 . . . . . . A 4 PHE C . 31018 1 35 . 1 . 1 4 4 PHE CA C 13 57.183 0.000 . . . . . . A 4 PHE CA . 31018 1 36 . 1 . 1 4 4 PHE CB C 13 39.546 0.000 . . . . . . A 4 PHE CB . 31018 1 37 . 1 . 1 4 4 PHE CD1 C 13 131.532 0.000 . . . . . . A 4 PHE CD1 . 31018 1 38 . 1 . 1 4 4 PHE CE1 C 13 131.532 0.000 . . . . . . A 4 PHE CE1 . 31018 1 39 . 1 . 1 4 4 PHE CZ C 13 129.978 0.000 . . . . . . A 4 PHE CZ . 31018 1 40 . 1 . 1 4 4 PHE N N 15 119.503 0.000 . . . . . . A 4 PHE N . 31018 1 41 . 1 . 1 5 5 ASP H H 1 7.828 0.001 . . . . . . A 5 ASP H . 31018 1 42 . 1 . 1 5 5 ASP HA H 1 4.673 0.000 . . . . . . A 5 ASP HA . 31018 1 43 . 1 . 1 5 5 ASP HB2 H 1 2.696 0.000 . . . . . . A 5 ASP HB2 . 31018 1 44 . 1 . 1 5 5 ASP HB3 H 1 2.503 0.000 . . . . . . A 5 ASP HB3 . 31018 1 45 . 1 . 1 5 5 ASP C C 13 175.904 0.000 . . . . . . A 5 ASP C . 31018 1 46 . 1 . 1 5 5 ASP CA C 13 53.951 0.000 . . . . . . A 5 ASP CA . 31018 1 47 . 1 . 1 5 5 ASP CB C 13 42.611 0.000 . . . . . . A 5 ASP CB . 31018 1 48 . 1 . 1 5 5 ASP N N 15 120.850 0.000 . . . . . . A 5 ASP N . 31018 1 49 . 1 . 1 6 6 ARG H H 1 8.447 0.001 . . . . . . A 6 ARG H . 31018 1 50 . 1 . 1 6 6 ARG HA H 1 3.880 0.000 . . . . . . A 6 ARG HA . 31018 1 51 . 1 . 1 6 6 ARG HB2 H 1 1.848 0.000 . . . . . . A 6 ARG HB2 . 31018 1 52 . 1 . 1 6 6 ARG HB3 H 1 1.848 0.000 . . . . . . A 6 ARG HB3 . 31018 1 53 . 1 . 1 6 6 ARG HG2 H 1 1.831 0.000 . . . . . . A 6 ARG HG2 . 31018 1 54 . 1 . 1 6 6 ARG HG3 H 1 1.634 0.000 . . . . . . A 6 ARG HG3 . 31018 1 55 . 1 . 1 6 6 ARG HD2 H 1 3.297 0.000 . . . . . . A 6 ARG HD2 . 31018 1 56 . 1 . 1 6 6 ARG HD3 H 1 3.297 0.000 . . . . . . A 6 ARG HD3 . 31018 1 57 . 1 . 1 6 6 ARG C C 13 177.618 0.000 . . . . . . A 6 ARG C . 31018 1 58 . 1 . 1 6 6 ARG CA C 13 58.343 0.000 . . . . . . A 6 ARG CA . 31018 1 59 . 1 . 1 6 6 ARG CB C 13 30.264 0.000 . . . . . . A 6 ARG CB . 31018 1 60 . 1 . 1 6 6 ARG CG C 13 27.737 0.000 . . . . . . A 6 ARG CG . 31018 1 61 . 1 . 1 6 6 ARG CD C 13 44.062 0.000 . . . . . . A 6 ARG CD . 31018 1 62 . 1 . 1 6 6 ARG N N 15 121.302 0.000 . . . . . . A 6 ARG N . 31018 1 63 . 1 . 1 7 7 GLY H H 1 9.032 0.001 . . . . . . A 7 GLY H . 31018 1 64 . 1 . 1 7 7 GLY HA2 H 1 4.325 0.000 . . . . . . A 7 GLY HA2 . 31018 1 65 . 1 . 1 7 7 GLY HA3 H 1 3.743 0.000 . . . . . . A 7 GLY HA3 . 31018 1 66 . 1 . 1 7 7 GLY C C 13 173.929 0.000 . . . . . . A 7 GLY C . 31018 1 67 . 1 . 1 7 7 GLY CA C 13 45.511 0.000 . . . . . . A 7 GLY CA . 31018 1 68 . 1 . 1 7 7 GLY N N 15 113.548 0.000 . . . . . . A 7 GLY N . 31018 1 69 . 1 . 1 8 8 ALA H H 1 8.067 0.000 . . . . . . A 8 ALA H . 31018 1 70 . 1 . 1 8 8 ALA HA H 1 4.386 0.000 . . . . . . A 8 ALA HA . 31018 1 71 . 1 . 1 8 8 ALA HB1 H 1 1.499 0.000 . . . . . . A 8 ALA HB1 . 31018 1 72 . 1 . 1 8 8 ALA HB2 H 1 1.499 0.000 . . . . . . A 8 ALA HB2 . 31018 1 73 . 1 . 1 8 8 ALA HB3 H 1 1.499 0.000 . . . . . . A 8 ALA HB3 . 31018 1 74 . 1 . 1 8 8 ALA C C 13 176.878 0.000 . . . . . . A 8 ALA C . 31018 1 75 . 1 . 1 8 8 ALA CA C 13 52.832 0.000 . . . . . . A 8 ALA CA . 31018 1 76 . 1 . 1 8 8 ALA CB C 13 20.072 0.000 . . . . . . A 8 ALA CB . 31018 1 77 . 1 . 1 8 8 ALA N N 15 123.367 0.000 . . . . . . A 8 ALA N . 31018 1 78 . 1 . 1 9 9 ASP H H 1 8.247 0.000 . . . . . . A 9 ASP H . 31018 1 79 . 1 . 1 9 9 ASP HA H 1 5.423 0.000 . . . . . . A 9 ASP HA . 31018 1 80 . 1 . 1 9 9 ASP HB2 H 1 2.632 0.000 . . . . . . A 9 ASP HB2 . 31018 1 81 . 1 . 1 9 9 ASP HB3 H 1 2.493 0.000 . . . . . . A 9 ASP HB3 . 31018 1 82 . 1 . 1 9 9 ASP C C 13 176.768 0.000 . . . . . . A 9 ASP C . 31018 1 83 . 1 . 1 9 9 ASP CA C 13 54.489 0.000 . . . . . . A 9 ASP CA . 31018 1 84 . 1 . 1 9 9 ASP CB C 13 42.694 0.000 . . . . . . A 9 ASP CB . 31018 1 85 . 1 . 1 9 9 ASP N N 15 119.751 0.000 . . . . . . A 9 ASP N . 31018 1 86 . 1 . 1 10 10 VAL H H 1 9.012 0.001 . . . . . . A 10 VAL H . 31018 1 87 . 1 . 1 10 10 VAL HA H 1 4.953 0.000 . . . . . . A 10 VAL HA . 31018 1 88 . 1 . 1 10 10 VAL HB H 1 2.042 0.000 . . . . . . A 10 VAL HB . 31018 1 89 . 1 . 1 10 10 VAL HG11 H 1 0.811 0.000 . . . . . . A 10 VAL HG11 . 31018 1 90 . 1 . 1 10 10 VAL HG12 H 1 0.811 0.000 . . . . . . A 10 VAL HG12 . 31018 1 91 . 1 . 1 10 10 VAL HG13 H 1 0.811 0.000 . . . . . . A 10 VAL HG13 . 31018 1 92 . 1 . 1 10 10 VAL HG21 H 1 0.839 0.000 . . . . . . A 10 VAL HG21 . 31018 1 93 . 1 . 1 10 10 VAL HG22 H 1 0.839 0.000 . . . . . . A 10 VAL HG22 . 31018 1 94 . 1 . 1 10 10 VAL HG23 H 1 0.839 0.000 . . . . . . A 10 VAL HG23 . 31018 1 95 . 1 . 1 10 10 VAL C C 13 174.828 0.000 . . . . . . A 10 VAL C . 31018 1 96 . 1 . 1 10 10 VAL CA C 13 59.793 0.000 . . . . . . A 10 VAL CA . 31018 1 97 . 1 . 1 10 10 VAL CB C 13 35.609 0.000 . . . . . . A 10 VAL CB . 31018 1 98 . 1 . 1 10 10 VAL CG1 C 13 22.682 0.000 . . . . . . A 10 VAL CG1 . 31018 1 99 . 1 . 1 10 10 VAL CG2 C 13 20.610 0.000 . . . . . . A 10 VAL CG2 . 31018 1 100 . 1 . 1 10 10 VAL N N 15 116.997 0.000 . . . . . . A 10 VAL N . 31018 1 101 . 1 . 1 11 11 THR H H 1 8.839 0.001 . . . . . . A 11 THR H . 31018 1 102 . 1 . 1 11 11 THR HA H 1 5.313 0.000 . . . . . . A 11 THR HA . 31018 1 103 . 1 . 1 11 11 THR HB H 1 3.952 0.000 . . . . . . A 11 THR HB . 31018 1 104 . 1 . 1 11 11 THR HG21 H 1 1.105 0.000 . . . . . . A 11 THR HG21 . 31018 1 105 . 1 . 1 11 11 THR HG22 H 1 1.105 0.000 . . . . . . A 11 THR HG22 . 31018 1 106 . 1 . 1 11 11 THR HG23 H 1 1.105 0.000 . . . . . . A 11 THR HG23 . 31018 1 107 . 1 . 1 11 11 THR C C 13 173.638 0.000 . . . . . . A 11 THR C . 31018 1 108 . 1 . 1 11 11 THR CA C 13 61.201 0.000 . . . . . . A 11 THR CA . 31018 1 109 . 1 . 1 11 11 THR CB C 13 71.698 0.000 . . . . . . A 11 THR CB . 31018 1 110 . 1 . 1 11 11 THR CG2 C 13 22.019 0.000 . . . . . . A 11 THR CG2 . 31018 1 111 . 1 . 1 11 11 THR N N 15 116.152 0.000 . . . . . . A 11 THR N . 31018 1 112 . 1 . 1 12 12 TYR H H 1 8.874 0.000 . . . . . . A 12 TYR H . 31018 1 113 . 1 . 1 12 12 TYR HA H 1 4.868 0.000 . . . . . . A 12 TYR HA . 31018 1 114 . 1 . 1 12 12 TYR HB2 H 1 2.736 0.000 . . . . . . A 12 TYR HB2 . 31018 1 115 . 1 . 1 12 12 TYR HB3 H 1 2.642 0.000 . . . . . . A 12 TYR HB3 . 31018 1 116 . 1 . 1 12 12 TYR HD1 H 1 6.829 0.000 . . . . . . A 12 TYR HD1 . 31018 1 117 . 1 . 1 12 12 TYR HD2 H 1 6.829 0.000 . . . . . . A 12 TYR HD2 . 31018 1 118 . 1 . 1 12 12 TYR HE1 H 1 6.670 0.000 . . . . . . A 12 TYR HE1 . 31018 1 119 . 1 . 1 12 12 TYR HE2 H 1 6.670 0.000 . . . . . . A 12 TYR HE2 . 31018 1 120 . 1 . 1 12 12 TYR C C 13 174.273 0.000 . . . . . . A 12 TYR C . 31018 1 121 . 1 . 1 12 12 TYR CA C 13 56.768 0.000 . . . . . . A 12 TYR CA . 31018 1 122 . 1 . 1 12 12 TYR CB C 13 42.900 0.000 . . . . . . A 12 TYR CB . 31018 1 123 . 1 . 1 12 12 TYR CD1 C 13 133.344 0.000 . . . . . . A 12 TYR CD1 . 31018 1 124 . 1 . 1 12 12 TYR CE1 C 13 118.584 0.000 . . . . . . A 12 TYR CE1 . 31018 1 125 . 1 . 1 12 12 TYR N N 15 125.409 0.000 . . . . . . A 12 TYR N . 31018 1 126 . 1 . 1 13 13 THR H H 1 7.900 0.000 . . . . . . A 13 THR H . 31018 1 127 . 1 . 1 13 13 THR HA H 1 4.699 0.000 . . . . . . A 13 THR HA . 31018 1 128 . 1 . 1 13 13 THR HB H 1 3.876 0.000 . . . . . . A 13 THR HB . 31018 1 129 . 1 . 1 13 13 THR HG21 H 1 1.118 0.000 . . . . . . A 13 THR HG21 . 31018 1 130 . 1 . 1 13 13 THR HG22 H 1 1.118 0.000 . . . . . . A 13 THR HG22 . 31018 1 131 . 1 . 1 13 13 THR HG23 H 1 1.118 0.000 . . . . . . A 13 THR HG23 . 31018 1 132 . 1 . 1 13 13 THR C C 13 173.359 0.000 . . . . . . A 13 THR C . 31018 1 133 . 1 . 1 13 13 THR CA C 13 61.933 0.000 . . . . . . A 13 THR CA . 31018 1 134 . 1 . 1 13 13 THR CB C 13 69.833 0.000 . . . . . . A 13 THR CB . 31018 1 135 . 1 . 1 13 13 THR CG2 C 13 21.356 0.000 . . . . . . A 13 THR CG2 . 31018 1 136 . 1 . 1 13 13 THR N N 15 123.085 0.000 . . . . . . A 13 THR N . 31018 1 137 . 1 . 1 14 14 ASP H H 1 8.560 0.000 . . . . . . A 14 ASP H . 31018 1 138 . 1 . 1 14 14 ASP HA H 1 4.651 0.000 . . . . . . A 14 ASP HA . 31018 1 139 . 1 . 1 14 14 ASP HB2 H 1 3.032 0.000 . . . . . . A 14 ASP HB2 . 31018 1 140 . 1 . 1 14 14 ASP HB3 H 1 2.779 0.000 . . . . . . A 14 ASP HB3 . 31018 1 141 . 1 . 1 14 14 ASP C C 13 178.495 0.000 . . . . . . A 14 ASP C . 31018 1 142 . 1 . 1 14 14 ASP CA C 13 53.081 0.000 . . . . . . A 14 ASP CA . 31018 1 143 . 1 . 1 14 14 ASP CB C 13 42.819 0.000 . . . . . . A 14 ASP CB . 31018 1 144 . 1 . 1 14 14 ASP N N 15 126.266 0.000 . . . . . . A 14 ASP N . 31018 1 145 . 1 . 1 15 15 SER H H 1 9.120 0.006 . . . . . . A 15 SER H . 31018 1 146 . 1 . 1 15 15 SER HA H 1 4.207 0.000 . . . . . . A 15 SER HA . 31018 1 147 . 1 . 1 15 15 SER HB2 H 1 4.014 0.000 . . . . . . A 15 SER HB2 . 31018 1 148 . 1 . 1 15 15 SER HB3 H 1 3.981 0.000 . . . . . . A 15 SER HB3 . 31018 1 149 . 1 . 1 15 15 SER C C 13 175.018 0.000 . . . . . . A 15 SER C . 31018 1 150 . 1 . 1 15 15 SER CA C 13 61.284 0.000 . . . . . . A 15 SER CA . 31018 1 151 . 1 . 1 15 15 SER CB C 13 63.576 0.000 . . . . . . A 15 SER CB . 31018 1 152 . 1 . 1 15 15 SER N N 15 116.785 0.000 . . . . . . A 15 SER N . 31018 1 153 . 1 . 1 16 16 ASP H H 1 8.121 0.000 . . . . . . A 16 ASP H . 31018 1 154 . 1 . 1 16 16 ASP HA H 1 4.663 0.000 . . . . . . A 16 ASP HA . 31018 1 155 . 1 . 1 16 16 ASP HB2 H 1 2.978 0.000 . . . . . . A 16 ASP HB2 . 31018 1 156 . 1 . 1 16 16 ASP HB3 H 1 2.733 0.000 . . . . . . A 16 ASP HB3 . 31018 1 157 . 1 . 1 16 16 ASP C C 13 177.233 0.000 . . . . . . A 16 ASP C . 31018 1 158 . 1 . 1 16 16 ASP CA C 13 54.034 0.000 . . . . . . A 16 ASP CA . 31018 1 159 . 1 . 1 16 16 ASP CB C 13 40.871 0.000 . . . . . . A 16 ASP CB . 31018 1 160 . 1 . 1 16 16 ASP N N 15 119.554 0.000 . . . . . . A 16 ASP N . 31018 1 161 . 1 . 1 17 17 GLY H H 1 8.209 0.001 . . . . . . A 17 GLY H . 31018 1 162 . 1 . 1 17 17 GLY HA2 H 1 4.262 0.000 . . . . . . A 17 GLY HA2 . 31018 1 163 . 1 . 1 17 17 GLY HA3 H 1 3.560 0.000 . . . . . . A 17 GLY HA3 . 31018 1 164 . 1 . 1 17 17 GLY C C 13 174.663 0.000 . . . . . . A 17 GLY C . 31018 1 165 . 1 . 1 17 17 GLY CA C 13 45.540 0.000 . . . . . . A 17 GLY CA . 31018 1 166 . 1 . 1 17 17 GLY N N 15 108.827 0.000 . . . . . . A 17 GLY N . 31018 1 167 . 1 . 1 18 18 SER H H 1 8.261 0.003 . . . . . . A 18 SER H . 31018 1 168 . 1 . 1 18 18 SER HA H 1 4.370 0.000 . . . . . . A 18 SER HA . 31018 1 169 . 1 . 1 18 18 SER HB2 H 1 3.970 0.000 . . . . . . A 18 SER HB2 . 31018 1 170 . 1 . 1 18 18 SER HB3 H 1 3.912 0.000 . . . . . . A 18 SER HB3 . 31018 1 171 . 1 . 1 18 18 SER C C 13 173.399 0.000 . . . . . . A 18 SER C . 31018 1 172 . 1 . 1 18 18 SER CA C 13 59.192 0.000 . . . . . . A 18 SER CA . 31018 1 173 . 1 . 1 18 18 SER CB C 13 64.115 0.000 . . . . . . A 18 SER CB . 31018 1 174 . 1 . 1 18 18 SER N N 15 118.114 0.000 . . . . . . A 18 SER N . 31018 1 175 . 1 . 1 19 19 LYS H H 1 8.388 0.000 . . . . . . A 19 LYS H . 31018 1 176 . 1 . 1 19 19 LYS HA H 1 4.944 0.000 . . . . . . A 19 LYS HA . 31018 1 177 . 1 . 1 19 19 LYS HB2 H 1 1.699 0.000 . . . . . . A 19 LYS HB2 . 31018 1 178 . 1 . 1 19 19 LYS HB3 H 1 1.645 0.000 . . . . . . A 19 LYS HB3 . 31018 1 179 . 1 . 1 19 19 LYS HG2 H 1 1.407 0.000 . . . . . . A 19 LYS HG2 . 31018 1 180 . 1 . 1 19 19 LYS HG3 H 1 1.350 0.000 . . . . . . A 19 LYS HG3 . 31018 1 181 . 1 . 1 19 19 LYS HD2 H 1 1.602 0.000 . . . . . . A 19 LYS HD2 . 31018 1 182 . 1 . 1 19 19 LYS HD3 H 1 1.602 0.000 . . . . . . A 19 LYS HD3 . 31018 1 183 . 1 . 1 19 19 LYS HE2 H 1 2.943 0.000 . . . . . . A 19 LYS HE2 . 31018 1 184 . 1 . 1 19 19 LYS HE3 H 1 2.943 0.000 . . . . . . A 19 LYS HE3 . 31018 1 185 . 1 . 1 19 19 LYS C C 13 176.581 0.000 . . . . . . A 19 LYS C . 31018 1 186 . 1 . 1 19 19 LYS CA C 13 56.050 0.000 . . . . . . A 19 LYS CA . 31018 1 187 . 1 . 1 19 19 LYS CB C 13 34.160 0.000 . . . . . . A 19 LYS CB . 31018 1 188 . 1 . 1 19 19 LYS CG C 13 25.251 0.000 . . . . . . A 19 LYS CG . 31018 1 189 . 1 . 1 19 19 LYS CD C 13 29.643 0.000 . . . . . . A 19 LYS CD . 31018 1 190 . 1 . 1 19 19 LYS CE C 13 42.514 0.000 . . . . . . A 19 LYS CE . 31018 1 191 . 1 . 1 19 19 LYS N N 15 122.532 0.000 . . . . . . A 19 LYS N . 31018 1 192 . 1 . 1 20 20 LYS H H 1 8.743 0.000 . . . . . . A 20 LYS H . 31018 1 193 . 1 . 1 20 20 LYS HA H 1 4.547 0.000 . . . . . . A 20 LYS HA . 31018 1 194 . 1 . 1 20 20 LYS HB2 H 1 1.602 0.000 . . . . . . A 20 LYS HB2 . 31018 1 195 . 1 . 1 20 20 LYS HB3 H 1 1.562 0.000 . . . . . . A 20 LYS HB3 . 31018 1 196 . 1 . 1 20 20 LYS HG2 H 1 1.462 0.000 . . . . . . A 20 LYS HG2 . 31018 1 197 . 1 . 1 20 20 LYS HG3 H 1 1.363 0.000 . . . . . . A 20 LYS HG3 . 31018 1 198 . 1 . 1 20 20 LYS HD2 H 1 1.757 0.000 . . . . . . A 20 LYS HD2 . 31018 1 199 . 1 . 1 20 20 LYS HD3 H 1 1.699 0.000 . . . . . . A 20 LYS HD3 . 31018 1 200 . 1 . 1 20 20 LYS HE2 H 1 3.032 0.000 . . . . . . A 20 LYS HE2 . 31018 1 201 . 1 . 1 20 20 LYS HE3 H 1 3.032 0.000 . . . . . . A 20 LYS HE3 . 31018 1 202 . 1 . 1 20 20 LYS C C 13 175.107 0.000 . . . . . . A 20 LYS C . 31018 1 203 . 1 . 1 20 20 LYS CA C 13 55.194 0.000 . . . . . . A 20 LYS CA . 31018 1 204 . 1 . 1 20 20 LYS CB C 13 36.065 0.000 . . . . . . A 20 LYS CB . 31018 1 205 . 1 . 1 20 20 LYS CG C 13 25.582 0.000 . . . . . . A 20 LYS CG . 31018 1 206 . 1 . 1 20 20 LYS CD C 13 29.229 0.000 . . . . . . A 20 LYS CD . 31018 1 207 . 1 . 1 20 20 LYS CE C 13 42.902 0.000 . . . . . . A 20 LYS CE . 31018 1 208 . 1 . 1 20 20 LYS N N 15 124.933 0.000 . . . . . . A 20 LYS N . 31018 1 209 . 1 . 1 21 21 THR H H 1 8.016 0.000 . . . . . . A 21 THR H . 31018 1 210 . 1 . 1 21 21 THR HA H 1 5.086 0.000 . . . . . . A 21 THR HA . 31018 1 211 . 1 . 1 21 21 THR HB H 1 3.919 0.000 . . . . . . A 21 THR HB . 31018 1 212 . 1 . 1 21 21 THR HG21 H 1 1.159 0.000 . . . . . . A 21 THR HG21 . 31018 1 213 . 1 . 1 21 21 THR HG22 H 1 1.159 0.000 . . . . . . A 21 THR HG22 . 31018 1 214 . 1 . 1 21 21 THR HG23 H 1 1.159 0.000 . . . . . . A 21 THR HG23 . 31018 1 215 . 1 . 1 21 21 THR C C 13 173.638 0.000 . . . . . . A 21 THR C . 31018 1 216 . 1 . 1 21 21 THR CA C 13 61.674 0.000 . . . . . . A 21 THR CA . 31018 1 217 . 1 . 1 21 21 THR CB C 13 70.870 0.000 . . . . . . A 21 THR CB . 31018 1 218 . 1 . 1 21 21 THR CG2 C 13 21.936 0.000 . . . . . . A 21 THR CG2 . 31018 1 219 . 1 . 1 21 21 THR N N 15 116.434 0.000 . . . . . . A 21 THR N . 31018 1 220 . 1 . 1 22 22 TYR H H 1 9.039 0.000 . . . . . . A 22 TYR H . 31018 1 221 . 1 . 1 22 22 TYR HA H 1 5.091 0.000 . . . . . . A 22 TYR HA . 31018 1 222 . 1 . 1 22 22 TYR HB2 H 1 2.372 0.000 . . . . . . A 22 TYR HB2 . 31018 1 223 . 1 . 1 22 22 TYR HB3 H 1 3.008 0.000 . . . . . . A 22 TYR HB3 . 31018 1 224 . 1 . 1 22 22 TYR HD1 H 1 6.760 0.000 . . . . . . A 22 TYR HD1 . 31018 1 225 . 1 . 1 22 22 TYR HD2 H 1 6.760 0.000 . . . . . . A 22 TYR HD2 . 31018 1 226 . 1 . 1 22 22 TYR HE1 H 1 6.624 0.000 . . . . . . A 22 TYR HE1 . 31018 1 227 . 1 . 1 22 22 TYR HE2 H 1 6.624 0.000 . . . . . . A 22 TYR HE2 . 31018 1 228 . 1 . 1 22 22 TYR C C 13 174.270 0.000 . . . . . . A 22 TYR C . 31018 1 229 . 1 . 1 22 22 TYR CA C 13 56.147 0.000 . . . . . . A 22 TYR CA . 31018 1 230 . 1 . 1 22 22 TYR CB C 13 43.523 0.000 . . . . . . A 22 TYR CB . 31018 1 231 . 1 . 1 22 22 TYR CD1 C 13 132.826 0.000 . . . . . . A 22 TYR CD1 . 31018 1 232 . 1 . 1 22 22 TYR CE1 C 13 118.325 0.000 . . . . . . A 22 TYR CE1 . 31018 1 233 . 1 . 1 22 22 TYR N N 15 123.613 0.000 . . . . . . A 22 TYR N . 31018 1 234 . 1 . 1 23 23 LYS H H 1 8.405 0.000 . . . . . . A 23 LYS H . 31018 1 235 . 1 . 1 23 23 LYS HA H 1 5.299 0.000 . . . . . . A 23 LYS HA . 31018 1 236 . 1 . 1 23 23 LYS HB2 H 1 1.830 0.000 . . . . . . A 23 LYS HB2 . 31018 1 237 . 1 . 1 23 23 LYS HB3 H 1 1.711 0.000 . . . . . . A 23 LYS HB3 . 31018 1 238 . 1 . 1 23 23 LYS HG2 H 1 1.452 0.000 . . . . . . A 23 LYS HG2 . 31018 1 239 . 1 . 1 23 23 LYS HG3 H 1 1.452 0.000 . . . . . . A 23 LYS HG3 . 31018 1 240 . 1 . 1 23 23 LYS HD2 H 1 1.717 0.000 . . . . . . A 23 LYS HD2 . 31018 1 241 . 1 . 1 23 23 LYS HD3 H 1 1.738 0.000 . . . . . . A 23 LYS HD3 . 31018 1 242 . 1 . 1 23 23 LYS HE2 H 1 3.027 0.000 . . . . . . A 23 LYS HE2 . 31018 1 243 . 1 . 1 23 23 LYS HE3 H 1 3.027 0.000 . . . . . . A 23 LYS HE3 . 31018 1 244 . 1 . 1 23 23 LYS C C 13 177.482 0.000 . . . . . . A 23 LYS C . 31018 1 245 . 1 . 1 23 23 LYS CA C 13 54.845 0.000 . . . . . . A 23 LYS CA . 31018 1 246 . 1 . 1 23 23 LYS CB C 13 35.568 0.000 . . . . . . A 23 LYS CB . 31018 1 247 . 1 . 1 23 23 LYS CG C 13 24.837 0.000 . . . . . . A 23 LYS CG . 31018 1 248 . 1 . 1 23 23 LYS CD C 13 29.311 0.000 . . . . . . A 23 LYS CD . 31018 1 249 . 1 . 1 23 23 LYS CE C 13 42.239 0.000 . . . . . . A 23 LYS CE . 31018 1 250 . 1 . 1 23 23 LYS N N 15 119.854 0.000 . . . . . . A 23 LYS N . 31018 1 251 . 1 . 1 24 24 VAL H H 1 9.083 0.000 . . . . . . A 24 VAL H . 31018 1 252 . 1 . 1 24 24 VAL HA H 1 3.768 0.000 . . . . . . A 24 VAL HA . 31018 1 253 . 1 . 1 24 24 VAL HB H 1 2.345 0.000 . . . . . . A 24 VAL HB . 31018 1 254 . 1 . 1 24 24 VAL HG11 H 1 0.727 0.000 . . . . . . A 24 VAL HG11 . 31018 1 255 . 1 . 1 24 24 VAL HG12 H 1 0.727 0.000 . . . . . . A 24 VAL HG12 . 31018 1 256 . 1 . 1 24 24 VAL HG13 H 1 0.727 0.000 . . . . . . A 24 VAL HG13 . 31018 1 257 . 1 . 1 24 24 VAL HG21 H 1 0.961 0.000 . . . . . . A 24 VAL HG21 . 31018 1 258 . 1 . 1 24 24 VAL HG22 H 1 0.961 0.000 . . . . . . A 24 VAL HG22 . 31018 1 259 . 1 . 1 24 24 VAL HG23 H 1 0.961 0.000 . . . . . . A 24 VAL HG23 . 31018 1 260 . 1 . 1 24 24 VAL C C 13 176.462 0.000 . . . . . . A 24 VAL C . 31018 1 261 . 1 . 1 24 24 VAL CA C 13 65.502 0.000 . . . . . . A 24 VAL CA . 31018 1 262 . 1 . 1 24 24 VAL CB C 13 32.668 0.000 . . . . . . A 24 VAL CB . 31018 1 263 . 1 . 1 24 24 VAL CG1 C 13 21.688 0.000 . . . . . . A 24 VAL CG1 . 31018 1 264 . 1 . 1 24 24 VAL CG2 C 13 23.759 0.000 . . . . . . A 24 VAL CG2 . 31018 1 265 . 1 . 1 24 24 VAL N N 15 124.164 0.000 . . . . . . A 24 VAL N . 31018 1 266 . 1 . 1 25 25 LEU H H 1 9.449 0.000 . . . . . . A 25 LEU H . 31018 1 267 . 1 . 1 25 25 LEU HA H 1 4.640 0.000 . . . . . . A 25 LEU HA . 31018 1 268 . 1 . 1 25 25 LEU HB2 H 1 1.511 0.000 . . . . . . A 25 LEU HB2 . 31018 1 269 . 1 . 1 25 25 LEU HB3 H 1 1.511 0.000 . . . . . . A 25 LEU HB3 . 31018 1 270 . 1 . 1 25 25 LEU HG H 1 1.574 0.000 . . . . . . A 25 LEU HG . 31018 1 271 . 1 . 1 25 25 LEU HD11 H 1 0.867 0.000 . . . . . . A 25 LEU HD11 . 31018 1 272 . 1 . 1 25 25 LEU HD12 H 1 0.867 0.000 . . . . . . A 25 LEU HD12 . 31018 1 273 . 1 . 1 25 25 LEU HD13 H 1 0.867 0.000 . . . . . . A 25 LEU HD13 . 31018 1 274 . 1 . 1 25 25 LEU HD21 H 1 0.826 0.000 . . . . . . A 25 LEU HD21 . 31018 1 275 . 1 . 1 25 25 LEU HD22 H 1 0.826 0.000 . . . . . . A 25 LEU HD22 . 31018 1 276 . 1 . 1 25 25 LEU HD23 H 1 0.826 0.000 . . . . . . A 25 LEU HD23 . 31018 1 277 . 1 . 1 25 25 LEU C C 13 176.927 0.000 . . . . . . A 25 LEU C . 31018 1 278 . 1 . 1 25 25 LEU CA C 13 56.478 0.000 . . . . . . A 25 LEU CA . 31018 1 279 . 1 . 1 25 25 LEU CB C 13 44.020 0.000 . . . . . . A 25 LEU CB . 31018 1 280 . 1 . 1 25 25 LEU CG C 13 27.074 0.000 . . . . . . A 25 LEU CG . 31018 1 281 . 1 . 1 25 25 LEU CD1 C 13 25.748 0.000 . . . . . . A 25 LEU CD1 . 31018 1 282 . 1 . 1 25 25 LEU CD2 C 13 23.179 0.000 . . . . . . A 25 LEU CD2 . 31018 1 283 . 1 . 1 25 25 LEU N N 15 129.104 0.000 . . . . . . A 25 LEU N . 31018 1 284 . 1 . 1 26 26 SER H H 1 7.962 0.000 . . . . . . A 26 SER H . 31018 1 285 . 1 . 1 26 26 SER HA H 1 4.601 0.000 . . . . . . A 26 SER HA . 31018 1 286 . 1 . 1 26 26 SER HB2 H 1 3.851 0.000 . . . . . . A 26 SER HB2 . 31018 1 287 . 1 . 1 26 26 SER HB3 H 1 3.851 0.000 . . . . . . A 26 SER HB3 . 31018 1 288 . 1 . 1 26 26 SER C C 13 171.745 0.000 . . . . . . A 26 SER C . 31018 1 289 . 1 . 1 26 26 SER CA C 13 58.136 0.000 . . . . . . A 26 SER CA . 31018 1 290 . 1 . 1 26 26 SER CB C 13 65.110 0.000 . . . . . . A 26 SER CB . 31018 1 291 . 1 . 1 26 26 SER N N 15 110.664 0.000 . . . . . . A 26 SER N . 31018 1 292 . 1 . 1 27 27 TYR H H 1 8.466 0.001 . . . . . . A 27 TYR H . 31018 1 293 . 1 . 1 27 27 TYR HA H 1 5.280 0.000 . . . . . . A 27 TYR HA . 31018 1 294 . 1 . 1 27 27 TYR HB2 H 1 3.051 0.000 . . . . . . A 27 TYR HB2 . 31018 1 295 . 1 . 1 27 27 TYR HB3 H 1 3.051 0.000 . . . . . . A 27 TYR HB3 . 31018 1 296 . 1 . 1 27 27 TYR HD1 H 1 7.063 0.000 . . . . . . A 27 TYR HD1 . 31018 1 297 . 1 . 1 27 27 TYR HD2 H 1 7.063 0.000 . . . . . . A 27 TYR HD2 . 31018 1 298 . 1 . 1 27 27 TYR HE1 H 1 6.768 0.000 . . . . . . A 27 TYR HE1 . 31018 1 299 . 1 . 1 27 27 TYR HE2 H 1 6.768 0.000 . . . . . . A 27 TYR HE2 . 31018 1 300 . 1 . 1 27 27 TYR C C 13 174.746 0.000 . . . . . . A 27 TYR C . 31018 1 301 . 1 . 1 27 27 TYR CA C 13 56.975 0.000 . . . . . . A 27 TYR CA . 31018 1 302 . 1 . 1 27 27 TYR CB C 13 41.659 0.000 . . . . . . A 27 TYR CB . 31018 1 303 . 1 . 1 27 27 TYR CD1 C 13 133.603 0.000 . . . . . . A 27 TYR CD1 . 31018 1 304 . 1 . 1 27 27 TYR CE1 C 13 118.584 0.000 . . . . . . A 27 TYR CE1 . 31018 1 305 . 1 . 1 27 27 TYR N N 15 120.580 0.000 . . . . . . A 27 TYR N . 31018 1 306 . 1 . 1 28 28 SER H H 1 8.367 0.000 . . . . . . A 28 SER H . 31018 1 307 . 1 . 1 28 28 SER HA H 1 4.612 0.000 . . . . . . A 28 SER HA . 31018 1 308 . 1 . 1 28 28 SER HB2 H 1 3.846 0.000 . . . . . . A 28 SER HB2 . 31018 1 309 . 1 . 1 28 28 SER HB3 H 1 3.846 0.000 . . . . . . A 28 SER HB3 . 31018 1 310 . 1 . 1 28 28 SER C C 13 175.092 0.000 . . . . . . A 28 SER C . 31018 1 311 . 1 . 1 28 28 SER CA C 13 57.431 0.000 . . . . . . A 28 SER CA . 31018 1 312 . 1 . 1 28 28 SER CB C 13 64.696 0.000 . . . . . . A 28 SER CB . 31018 1 313 . 1 . 1 28 28 SER N N 15 119.125 0.000 . . . . . . A 28 SER N . 31018 1 314 . 1 . 1 29 29 GLY H H 1 8.433 0.001 . . . . . . A 29 GLY H . 31018 1 315 . 1 . 1 29 29 GLY HA2 H 1 4.068 0.000 . . . . . . A 29 GLY HA2 . 31018 1 316 . 1 . 1 29 29 GLY HA3 H 1 3.662 0.000 . . . . . . A 29 GLY HA3 . 31018 1 317 . 1 . 1 29 29 GLY C C 13 174.234 0.000 . . . . . . A 29 GLY C . 31018 1 318 . 1 . 1 29 29 GLY CA C 13 47.736 0.000 . . . . . . A 29 GLY CA . 31018 1 319 . 1 . 1 29 29 GLY N N 15 116.100 0.000 . . . . . . A 29 GLY N . 31018 1 320 . 1 . 1 30 30 ASP H H 1 8.487 0.000 . . . . . . A 30 ASP H . 31018 1 321 . 1 . 1 30 30 ASP HA H 1 4.748 0.000 . . . . . . A 30 ASP HA . 31018 1 322 . 1 . 1 30 30 ASP HB2 H 1 2.881 0.000 . . . . . . A 30 ASP HB2 . 31018 1 323 . 1 . 1 30 30 ASP HB3 H 1 2.881 0.000 . . . . . . A 30 ASP HB3 . 31018 1 324 . 1 . 1 30 30 ASP C C 13 175.729 0.000 . . . . . . A 30 ASP C . 31018 1 325 . 1 . 1 30 30 ASP CA C 13 54.655 0.000 . . . . . . A 30 ASP CA . 31018 1 326 . 1 . 1 30 30 ASP CB C 13 41.451 0.000 . . . . . . A 30 ASP CB . 31018 1 327 . 1 . 1 30 30 ASP N N 15 122.553 0.000 . . . . . . A 30 ASP N . 31018 1 328 . 1 . 1 31 31 LYS H H 1 7.973 0.000 . . . . . . A 31 LYS H . 31018 1 329 . 1 . 1 31 31 LYS HA H 1 5.040 0.000 . . . . . . A 31 LYS HA . 31018 1 330 . 1 . 1 31 31 LYS HB2 H 1 1.924 0.000 . . . . . . A 31 LYS HB2 . 31018 1 331 . 1 . 1 31 31 LYS HB3 H 1 1.559 0.000 . . . . . . A 31 LYS HB3 . 31018 1 332 . 1 . 1 31 31 LYS HG2 H 1 1.459 0.000 . . . . . . A 31 LYS HG2 . 31018 1 333 . 1 . 1 31 31 LYS HG3 H 1 1.459 0.000 . . . . . . A 31 LYS HG3 . 31018 1 334 . 1 . 1 31 31 LYS HD2 H 1 1.631 0.000 . . . . . . A 31 LYS HD2 . 31018 1 335 . 1 . 1 31 31 LYS HD3 H 1 1.479 0.000 . . . . . . A 31 LYS HD3 . 31018 1 336 . 1 . 1 31 31 LYS HE2 H 1 2.978 0.000 . . . . . . A 31 LYS HE2 . 31018 1 337 . 1 . 1 31 31 LYS HE3 H 1 2.978 0.000 . . . . . . A 31 LYS HE3 . 31018 1 338 . 1 . 1 31 31 LYS C C 13 175.613 0.000 . . . . . . A 31 LYS C . 31018 1 339 . 1 . 1 31 31 LYS CA C 13 55.199 0.000 . . . . . . A 31 LYS CA . 31018 1 340 . 1 . 1 31 31 LYS CB C 13 35.402 0.000 . . . . . . A 31 LYS CB . 31018 1 341 . 1 . 1 31 31 LYS CG C 13 24.919 0.000 . . . . . . A 31 LYS CG . 31018 1 342 . 1 . 1 31 31 LYS CD C 13 29.063 0.000 . . . . . . A 31 LYS CD . 31018 1 343 . 1 . 1 31 31 LYS CE C 13 42.736 0.000 . . . . . . A 31 LYS CE . 31018 1 344 . 1 . 1 31 31 LYS N N 15 119.078 0.000 . . . . . . A 31 LYS N . 31018 1 345 . 1 . 1 32 32 VAL H H 1 9.128 0.000 . . . . . . A 32 VAL H . 31018 1 346 . 1 . 1 32 32 VAL HA H 1 4.673 0.000 . . . . . . A 32 VAL HA . 31018 1 347 . 1 . 1 32 32 VAL HB H 1 1.760 0.000 . . . . . . A 32 VAL HB . 31018 1 348 . 1 . 1 32 32 VAL HG11 H 1 0.735 0.000 . . . . . . A 32 VAL HG11 . 31018 1 349 . 1 . 1 32 32 VAL HG12 H 1 0.735 0.000 . . . . . . A 32 VAL HG12 . 31018 1 350 . 1 . 1 32 32 VAL HG13 H 1 0.735 0.000 . . . . . . A 32 VAL HG13 . 31018 1 351 . 1 . 1 32 32 VAL HG21 H 1 0.486 0.000 . . . . . . A 32 VAL HG21 . 31018 1 352 . 1 . 1 32 32 VAL HG22 H 1 0.486 0.000 . . . . . . A 32 VAL HG22 . 31018 1 353 . 1 . 1 32 32 VAL HG23 H 1 0.486 0.000 . . . . . . A 32 VAL HG23 . 31018 1 354 . 1 . 1 32 32 VAL C C 13 174.592 0.000 . . . . . . A 32 VAL C . 31018 1 355 . 1 . 1 32 32 VAL CA C 13 60.917 0.000 . . . . . . A 32 VAL CA . 31018 1 356 . 1 . 1 32 32 VAL CB C 13 34.781 0.000 . . . . . . A 32 VAL CB . 31018 1 357 . 1 . 1 32 32 VAL CG1 C 13 22.268 0.000 . . . . . . A 32 VAL CG1 . 31018 1 358 . 1 . 1 32 32 VAL CG2 C 13 21.688 0.000 . . . . . . A 32 VAL CG2 . 31018 1 359 . 1 . 1 32 32 VAL N N 15 123.531 0.000 . . . . . . A 32 VAL N . 31018 1 360 . 1 . 1 33 33 THR H H 1 9.024 0.000 . . . . . . A 33 THR H . 31018 1 361 . 1 . 1 33 33 THR HA H 1 5.191 0.000 . . . . . . A 33 THR HA . 31018 1 362 . 1 . 1 33 33 THR HB H 1 4.032 0.000 . . . . . . A 33 THR HB . 31018 1 363 . 1 . 1 33 33 THR HG21 H 1 1.164 0.000 . . . . . . A 33 THR HG21 . 31018 1 364 . 1 . 1 33 33 THR HG22 H 1 1.164 0.000 . . . . . . A 33 THR HG22 . 31018 1 365 . 1 . 1 33 33 THR HG23 H 1 1.164 0.000 . . . . . . A 33 THR HG23 . 31018 1 366 . 1 . 1 33 33 THR C C 13 174.534 0.000 . . . . . . A 33 THR C . 31018 1 367 . 1 . 1 33 33 THR CA C 13 62.610 0.000 . . . . . . A 33 THR CA . 31018 1 368 . 1 . 1 33 33 THR CB C 13 69.710 0.000 . . . . . . A 33 THR CB . 31018 1 369 . 1 . 1 33 33 THR CG2 C 13 22.102 0.000 . . . . . . A 33 THR CG2 . 31018 1 370 . 1 . 1 33 33 THR N N 15 124.619 0.000 . . . . . . A 33 THR N . 31018 1 371 . 1 . 1 34 34 VAL H H 1 9.484 0.000 . . . . . . A 34 VAL H . 31018 1 372 . 1 . 1 34 34 VAL HA H 1 5.378 0.001 . . . . . . A 34 VAL HA . 31018 1 373 . 1 . 1 34 34 VAL HB H 1 2.106 0.000 . . . . . . A 34 VAL HB . 31018 1 374 . 1 . 1 34 34 VAL HG11 H 1 0.716 0.000 . . . . . . A 34 VAL HG11 . 31018 1 375 . 1 . 1 34 34 VAL HG12 H 1 0.716 0.000 . . . . . . A 34 VAL HG12 . 31018 1 376 . 1 . 1 34 34 VAL HG13 H 1 0.716 0.000 . . . . . . A 34 VAL HG13 . 31018 1 377 . 1 . 1 34 34 VAL HG21 H 1 0.430 0.000 . . . . . . A 34 VAL HG21 . 31018 1 378 . 1 . 1 34 34 VAL HG22 H 1 0.430 0.000 . . . . . . A 34 VAL HG22 . 31018 1 379 . 1 . 1 34 34 VAL HG23 H 1 0.430 0.000 . . . . . . A 34 VAL HG23 . 31018 1 380 . 1 . 1 34 34 VAL C C 13 173.635 0.000 . . . . . . A 34 VAL C . 31018 1 381 . 1 . 1 34 34 VAL CA C 13 58.550 0.000 . . . . . . A 34 VAL CA . 31018 1 382 . 1 . 1 34 34 VAL CB C 13 35.941 0.000 . . . . . . A 34 VAL CB . 31018 1 383 . 1 . 1 34 34 VAL CG1 C 13 22.185 0.000 . . . . . . A 34 VAL CG1 . 31018 1 384 . 1 . 1 34 34 VAL CG2 C 13 20.196 0.000 . . . . . . A 34 VAL CG2 . 31018 1 385 . 1 . 1 34 34 VAL N N 15 120.931 0.000 . . . . . . A 34 VAL N . 31018 1 386 . 1 . 1 35 35 GLN H H 1 9.261 0.000 . . . . . . A 35 GLN H . 31018 1 387 . 1 . 1 35 35 GLN HA H 1 5.674 0.000 . . . . . . A 35 GLN HA . 31018 1 388 . 1 . 1 35 35 GLN HB2 H 1 2.083 0.000 . . . . . . A 35 GLN HB2 . 31018 1 389 . 1 . 1 35 35 GLN HB3 H 1 1.912 0.000 . . . . . . A 35 GLN HB3 . 31018 1 390 . 1 . 1 35 35 GLN HG2 H 1 2.611 0.000 . . . . . . A 35 GLN HG2 . 31018 1 391 . 1 . 1 35 35 GLN HG3 H 1 2.199 0.000 . . . . . . A 35 GLN HG3 . 31018 1 392 . 1 . 1 35 35 GLN HE21 H 1 7.329 0.000 . . . . . . A 35 GLN HE21 . 31018 1 393 . 1 . 1 35 35 GLN HE22 H 1 6.792 0.000 . . . . . . A 35 GLN HE22 . 31018 1 394 . 1 . 1 35 35 GLN C C 13 176.766 0.000 . . . . . . A 35 GLN C . 31018 1 395 . 1 . 1 35 35 GLN CA C 13 54.200 0.000 . . . . . . A 35 GLN CA . 31018 1 396 . 1 . 1 35 35 GLN CB C 13 34.076 0.000 . . . . . . A 35 GLN CB . 31018 1 397 . 1 . 1 35 35 GLN CG C 13 35.008 0.188 . . . . . . A 35 GLN CG . 31018 1 398 . 1 . 1 35 35 GLN N N 15 118.854 0.000 . . . . . . A 35 GLN N . 31018 1 399 . 1 . 1 35 35 GLN NE2 N 15 111.485 0.000 . . . . . . A 35 GLN NE2 . 31018 1 400 . 1 . 1 36 36 ASP H H 1 8.869 0.001 . . . . . . A 36 ASP H . 31018 1 401 . 1 . 1 36 36 ASP HA H 1 5.218 0.000 . . . . . . A 36 ASP HA . 31018 1 402 . 1 . 1 36 36 ASP HB2 H 1 3.344 0.000 . . . . . . A 36 ASP HB2 . 31018 1 403 . 1 . 1 36 36 ASP HB3 H 1 2.924 0.000 . . . . . . A 36 ASP HB3 . 31018 1 404 . 1 . 1 36 36 ASP C C 13 178.601 0.000 . . . . . . A 36 ASP C . 31018 1 405 . 1 . 1 36 36 ASP CA C 13 52.791 0.000 . . . . . . A 36 ASP CA . 31018 1 406 . 1 . 1 36 36 ASP CB C 13 43.026 0.000 . . . . . . A 36 ASP CB . 31018 1 407 . 1 . 1 36 36 ASP N N 15 125.774 0.000 . . . . . . A 36 ASP N . 31018 1 408 . 1 . 1 37 37 SER H H 1 8.790 0.000 . . . . . . A 37 SER H . 31018 1 409 . 1 . 1 37 37 SER HA H 1 4.255 0.000 . . . . . . A 37 SER HA . 31018 1 410 . 1 . 1 37 37 SER HB2 H 1 4.080 0.000 . . . . . . A 37 SER HB2 . 31018 1 411 . 1 . 1 37 37 SER HB3 H 1 3.997 0.000 . . . . . . A 37 SER HB3 . 31018 1 412 . 1 . 1 37 37 SER C C 13 175.230 0.000 . . . . . . A 37 SER C . 31018 1 413 . 1 . 1 37 37 SER CA C 13 61.450 0.000 . . . . . . A 37 SER CA . 31018 1 414 . 1 . 1 37 37 SER CB C 13 63.535 0.000 . . . . . . A 37 SER CB . 31018 1 415 . 1 . 1 37 37 SER N N 15 114.988 0.000 . . . . . . A 37 SER N . 31018 1 416 . 1 . 1 38 38 ASP H H 1 8.164 0.000 . . . . . . A 38 ASP H . 31018 1 417 . 1 . 1 38 38 ASP HA H 1 4.847 0.000 . . . . . . A 38 ASP HA . 31018 1 418 . 1 . 1 38 38 ASP HB2 H 1 2.823 0.000 . . . . . . A 38 ASP HB2 . 31018 1 419 . 1 . 1 38 38 ASP HB3 H 1 2.823 0.000 . . . . . . A 38 ASP HB3 . 31018 1 420 . 1 . 1 38 38 ASP C C 13 176.781 0.000 . . . . . . A 38 ASP C . 31018 1 421 . 1 . 1 38 38 ASP CA C 13 54.655 0.000 . . . . . . A 38 ASP CA . 31018 1 422 . 1 . 1 38 38 ASP CB C 13 41.866 0.000 . . . . . . A 38 ASP CB . 31018 1 423 . 1 . 1 38 38 ASP N N 15 120.675 0.000 . . . . . . A 38 ASP N . 31018 1 424 . 1 . 1 39 39 GLY H H 1 8.164 0.000 . . . . . . A 39 GLY H . 31018 1 425 . 1 . 1 39 39 GLY HA2 H 1 3.596 0.000 . . . . . . A 39 GLY HA2 . 31018 1 426 . 1 . 1 39 39 GLY HA3 H 1 4.353 0.000 . . . . . . A 39 GLY HA3 . 31018 1 427 . 1 . 1 39 39 GLY C C 13 174.910 0.000 . . . . . . A 39 GLY C . 31018 1 428 . 1 . 1 39 39 GLY CA C 13 45.581 0.000 . . . . . . A 39 GLY CA . 31018 1 429 . 1 . 1 39 39 GLY N N 15 108.253 0.000 . . . . . . A 39 GLY N . 31018 1 430 . 1 . 1 40 40 ARG H H 1 8.500 0.001 . . . . . . A 40 ARG H . 31018 1 431 . 1 . 1 40 40 ARG HA H 1 4.363 0.000 . . . . . . A 40 ARG HA . 31018 1 432 . 1 . 1 40 40 ARG HB2 H 1 2.009 0.000 . . . . . . A 40 ARG HB2 . 31018 1 433 . 1 . 1 40 40 ARG HB3 H 1 1.851 0.000 . . . . . . A 40 ARG HB3 . 31018 1 434 . 1 . 1 40 40 ARG HG2 H 1 1.734 0.000 . . . . . . A 40 ARG HG2 . 31018 1 435 . 1 . 1 40 40 ARG HG3 H 1 1.624 0.000 . . . . . . A 40 ARG HG3 . 31018 1 436 . 1 . 1 40 40 ARG HD2 H 1 3.282 0.000 . . . . . . A 40 ARG HD2 . 31018 1 437 . 1 . 1 40 40 ARG HD3 H 1 3.282 0.000 . . . . . . A 40 ARG HD3 . 31018 1 438 . 1 . 1 40 40 ARG C C 13 176.210 0.000 . . . . . . A 40 ARG C . 31018 1 439 . 1 . 1 40 40 ARG CA C 13 57.141 0.000 . . . . . . A 40 ARG CA . 31018 1 440 . 1 . 1 40 40 ARG CB C 13 30.844 0.000 . . . . . . A 40 ARG CB . 31018 1 441 . 1 . 1 40 40 ARG CG C 13 28.400 0.000 . . . . . . A 40 ARG CG . 31018 1 442 . 1 . 1 40 40 ARG CD C 13 43.896 0.000 . . . . . . A 40 ARG CD . 31018 1 443 . 1 . 1 40 40 ARG N N 15 123.519 0.000 . . . . . . A 40 ARG N . 31018 1 444 . 1 . 1 41 41 THR H H 1 8.242 0.000 . . . . . . A 41 THR H . 31018 1 445 . 1 . 1 41 41 THR HA H 1 5.311 0.000 . . . . . . A 41 THR HA . 31018 1 446 . 1 . 1 41 41 THR HB H 1 4.002 0.000 . . . . . . A 41 THR HB . 31018 1 447 . 1 . 1 41 41 THR HG21 H 1 1.110 0.000 . . . . . . A 41 THR HG21 . 31018 1 448 . 1 . 1 41 41 THR HG22 H 1 1.110 0.000 . . . . . . A 41 THR HG22 . 31018 1 449 . 1 . 1 41 41 THR HG23 H 1 1.110 0.000 . . . . . . A 41 THR HG23 . 31018 1 450 . 1 . 1 41 41 THR C C 13 174.539 0.000 . . . . . . A 41 THR C . 31018 1 451 . 1 . 1 41 41 THR CA C 13 61.508 0.000 . . . . . . A 41 THR CA . 31018 1 452 . 1 . 1 41 41 THR CB C 13 70.786 0.000 . . . . . . A 41 THR CB . 31018 1 453 . 1 . 1 41 41 THR CG2 C 13 22.268 0.000 . . . . . . A 41 THR CG2 . 31018 1 454 . 1 . 1 41 41 THR N N 15 115.951 0.000 . . . . . . A 41 THR N . 31018 1 455 . 1 . 1 42 42 LEU H H 1 8.838 0.000 . . . . . . A 42 LEU H . 31018 1 456 . 1 . 1 42 42 LEU HA H 1 4.617 0.000 . . . . . . A 42 LEU HA . 31018 1 457 . 1 . 1 42 42 LEU HB2 H 1 1.133 0.000 . . . . . . A 42 LEU HB2 . 31018 1 458 . 1 . 1 42 42 LEU HB3 H 1 1.133 0.000 . . . . . . A 42 LEU HB3 . 31018 1 459 . 1 . 1 42 42 LEU HG H 1 1.375 0.000 . . . . . . A 42 LEU HG . 31018 1 460 . 1 . 1 42 42 LEU HD11 H 1 0.737 0.000 . . . . . . A 42 LEU HD11 . 31018 1 461 . 1 . 1 42 42 LEU HD12 H 1 0.737 0.000 . . . . . . A 42 LEU HD12 . 31018 1 462 . 1 . 1 42 42 LEU HD13 H 1 0.737 0.000 . . . . . . A 42 LEU HD13 . 31018 1 463 . 1 . 1 42 42 LEU HD21 H 1 0.790 0.000 . . . . . . A 42 LEU HD21 . 31018 1 464 . 1 . 1 42 42 LEU HD22 H 1 0.790 0.000 . . . . . . A 42 LEU HD22 . 31018 1 465 . 1 . 1 42 42 LEU HD23 H 1 0.790 0.000 . . . . . . A 42 LEU HD23 . 31018 1 466 . 1 . 1 42 42 LEU C C 13 175.041 0.000 . . . . . . A 42 LEU C . 31018 1 467 . 1 . 1 42 42 LEU CA C 13 54.655 0.000 . . . . . . A 42 LEU CA . 31018 1 468 . 1 . 1 42 42 LEU CB C 13 46.258 0.000 . . . . . . A 42 LEU CB . 31018 1 469 . 1 . 1 42 42 LEU CG C 13 27.737 0.000 . . . . . . A 42 LEU CG . 31018 1 470 . 1 . 1 42 42 LEU CD1 C 13 26.315 0.000 . . . . . . A 42 LEU CD1 . 31018 1 471 . 1 . 1 42 42 LEU CD2 C 13 25.000 0.000 . . . . . . A 42 LEU CD2 . 31018 1 472 . 1 . 1 42 42 LEU N N 15 125.879 0.000 . . . . . . A 42 LEU N . 31018 1 473 . 1 . 1 43 43 THR H H 1 8.031 0.000 . . . . . . A 43 THR H . 31018 1 474 . 1 . 1 43 43 THR HA H 1 5.244 0.000 . . . . . . A 43 THR HA . 31018 1 475 . 1 . 1 43 43 THR HB H 1 3.718 0.000 . . . . . . A 43 THR HB . 31018 1 476 . 1 . 1 43 43 THR HG21 H 1 1.067 0.000 . . . . . . A 43 THR HG21 . 31018 1 477 . 1 . 1 43 43 THR HG22 H 1 1.067 0.000 . . . . . . A 43 THR HG22 . 31018 1 478 . 1 . 1 43 43 THR HG23 H 1 1.067 0.000 . . . . . . A 43 THR HG23 . 31018 1 479 . 1 . 1 43 43 THR C C 13 173.678 0.000 . . . . . . A 43 THR C . 31018 1 480 . 1 . 1 43 43 THR CA C 13 61.697 0.000 . . . . . . A 43 THR CA . 31018 1 481 . 1 . 1 43 43 THR CB C 13 71.325 0.000 . . . . . . A 43 THR CB . 31018 1 482 . 1 . 1 43 43 THR CG2 C 13 22.102 0.000 . . . . . . A 43 THR CG2 . 31018 1 483 . 1 . 1 43 43 THR N N 15 115.575 0.000 . . . . . . A 43 THR N . 31018 1 484 . 1 . 1 44 44 PHE H H 1 8.927 0.000 . . . . . . A 44 PHE H . 31018 1 485 . 1 . 1 44 44 PHE HA H 1 4.883 0.000 . . . . . . A 44 PHE HA . 31018 1 486 . 1 . 1 44 44 PHE HB2 H 1 2.483 0.000 . . . . . . A 44 PHE HB2 . 31018 1 487 . 1 . 1 44 44 PHE HB3 H 1 3.078 0.000 . . . . . . A 44 PHE HB3 . 31018 1 488 . 1 . 1 44 44 PHE HD1 H 1 6.810 0.000 . . . . . . A 44 PHE HD1 . 31018 1 489 . 1 . 1 44 44 PHE HD2 H 1 6.810 0.000 . . . . . . A 44 PHE HD2 . 31018 1 490 . 1 . 1 44 44 PHE HE1 H 1 6.405 0.000 . . . . . . A 44 PHE HE1 . 31018 1 491 . 1 . 1 44 44 PHE HE2 H 1 6.405 0.000 . . . . . . A 44 PHE HE2 . 31018 1 492 . 1 . 1 44 44 PHE HZ H 1 6.640 0.000 . . . . . . A 44 PHE HZ . 31018 1 493 . 1 . 1 44 44 PHE C C 13 175.200 0.000 . . . . . . A 44 PHE C . 31018 1 494 . 1 . 1 44 44 PHE CA C 13 56.354 0.000 . . . . . . A 44 PHE CA . 31018 1 495 . 1 . 1 44 44 PHE CB C 13 44.227 0.000 . . . . . . A 44 PHE CB . 31018 1 496 . 1 . 1 44 44 PHE CD1 C 13 131.273 0.000 . . . . . . A 44 PHE CD1 . 31018 1 497 . 1 . 1 44 44 PHE CE1 C 13 131.014 0.000 . . . . . . A 44 PHE CE1 . 31018 1 498 . 1 . 1 44 44 PHE CZ C 13 129.460 0.000 . . . . . . A 44 PHE CZ . 31018 1 499 . 1 . 1 44 44 PHE N N 15 123.358 0.000 . . . . . . A 44 PHE N . 31018 1 500 . 1 . 1 45 45 ASP H H 1 8.427 0.000 . . . . . . A 45 ASP H . 31018 1 501 . 1 . 1 45 45 ASP HA H 1 4.805 0.000 . . . . . . A 45 ASP HA . 31018 1 502 . 1 . 1 45 45 ASP HB2 H 1 2.650 0.000 . . . . . . A 45 ASP HB2 . 31018 1 503 . 1 . 1 45 45 ASP HB3 H 1 2.878 0.000 . . . . . . A 45 ASP HB3 . 31018 1 504 . 1 . 1 45 45 ASP C C 13 177.297 0.000 . . . . . . A 45 ASP C . 31018 1 505 . 1 . 1 45 45 ASP CA C 13 55.341 0.000 . . . . . . A 45 ASP CA . 31018 1 506 . 1 . 1 45 45 ASP CB C 13 42.114 0.000 . . . . . . A 45 ASP CB . 31018 1 507 . 1 . 1 45 45 ASP N N 15 121.209 0.000 . . . . . . A 45 ASP N . 31018 1 508 . 1 . 1 46 46 ALA H H 1 8.749 0.000 . . . . . . A 46 ALA H . 31018 1 509 . 1 . 1 46 46 ALA HA H 1 3.795 0.000 . . . . . . A 46 ALA HA . 31018 1 510 . 1 . 1 46 46 ALA HB1 H 1 1.360 0.000 . . . . . . A 46 ALA HB1 . 31018 1 511 . 1 . 1 46 46 ALA HB2 H 1 1.360 0.000 . . . . . . A 46 ALA HB2 . 31018 1 512 . 1 . 1 46 46 ALA HB3 H 1 1.360 0.000 . . . . . . A 46 ALA HB3 . 31018 1 513 . 1 . 1 46 46 ALA C C 13 179.305 0.000 . . . . . . A 46 ALA C . 31018 1 514 . 1 . 1 46 46 ALA CA C 13 55.567 0.000 . . . . . . A 46 ALA CA . 31018 1 515 . 1 . 1 46 46 ALA CB C 13 19.284 0.000 . . . . . . A 46 ALA CB . 31018 1 516 . 1 . 1 46 46 ALA N N 15 128.447 0.000 . . . . . . A 46 ALA N . 31018 1 517 . 1 . 1 47 47 ARG H H 1 8.668 0.000 . . . . . . A 47 ARG H . 31018 1 518 . 1 . 1 47 47 ARG HA H 1 4.228 0.000 . . . . . . A 47 ARG HA . 31018 1 519 . 1 . 1 47 47 ARG HB2 H 1 1.969 0.000 . . . . . . A 47 ARG HB2 . 31018 1 520 . 1 . 1 47 47 ARG HB3 H 1 1.916 0.000 . . . . . . A 47 ARG HB3 . 31018 1 521 . 1 . 1 47 47 ARG HG2 H 1 1.723 0.000 . . . . . . A 47 ARG HG2 . 31018 1 522 . 1 . 1 47 47 ARG HG3 H 1 1.723 0.000 . . . . . . A 47 ARG HG3 . 31018 1 523 . 1 . 1 47 47 ARG HD2 H 1 3.286 0.000 . . . . . . A 47 ARG HD2 . 31018 1 524 . 1 . 1 47 47 ARG HD3 H 1 3.286 0.000 . . . . . . A 47 ARG HD3 . 31018 1 525 . 1 . 1 47 47 ARG C C 13 178.020 0.000 . . . . . . A 47 ARG C . 31018 1 526 . 1 . 1 47 47 ARG CA C 13 58.426 0.000 . . . . . . A 47 ARG CA . 31018 1 527 . 1 . 1 47 47 ARG CB C 13 29.974 0.000 . . . . . . A 47 ARG CB . 31018 1 528 . 1 . 1 47 47 ARG CG C 13 27.654 0.000 . . . . . . A 47 ARG CG . 31018 1 529 . 1 . 1 47 47 ARG CD C 13 43.813 0.000 . . . . . . A 47 ARG CD . 31018 1 530 . 1 . 1 47 47 ARG N N 15 114.359 0.000 . . . . . . A 47 ARG N . 31018 1 531 . 1 . 1 48 48 LEU H H 1 7.835 0.000 . . . . . . A 48 LEU H . 31018 1 532 . 1 . 1 48 48 LEU HA H 1 4.386 0.000 . . . . . . A 48 LEU HA . 31018 1 533 . 1 . 1 48 48 LEU HB2 H 1 1.944 0.000 . . . . . . A 48 LEU HB2 . 31018 1 534 . 1 . 1 48 48 LEU HB3 H 1 1.799 0.000 . . . . . . A 48 LEU HB3 . 31018 1 535 . 1 . 1 48 48 LEU HG H 1 1.729 0.000 . . . . . . A 48 LEU HG . 31018 1 536 . 1 . 1 48 48 LEU HD11 H 1 1.189 0.000 . . . . . . A 48 LEU HD11 . 31018 1 537 . 1 . 1 48 48 LEU HD12 H 1 1.189 0.000 . . . . . . A 48 LEU HD12 . 31018 1 538 . 1 . 1 48 48 LEU HD13 H 1 1.189 0.000 . . . . . . A 48 LEU HD13 . 31018 1 539 . 1 . 1 48 48 LEU HD21 H 1 0.963 0.000 . . . . . . A 48 LEU HD21 . 31018 1 540 . 1 . 1 48 48 LEU HD22 H 1 0.963 0.000 . . . . . . A 48 LEU HD22 . 31018 1 541 . 1 . 1 48 48 LEU HD23 H 1 0.963 0.000 . . . . . . A 48 LEU HD23 . 31018 1 542 . 1 . 1 48 48 LEU C C 13 177.181 0.000 . . . . . . A 48 LEU C . 31018 1 543 . 1 . 1 48 48 LEU CA C 13 55.774 0.000 . . . . . . A 48 LEU CA . 31018 1 544 . 1 . 1 48 48 LEU CB C 13 42.778 0.000 . . . . . . A 48 LEU CB . 31018 1 545 . 1 . 1 48 48 LEU CG C 13 27.737 0.000 . . . . . . A 48 LEU CG . 31018 1 546 . 1 . 1 48 48 LEU CD1 C 13 26.080 0.000 . . . . . . A 48 LEU CD1 . 31018 1 547 . 1 . 1 48 48 LEU CD2 C 13 22.800 0.000 . . . . . . A 48 LEU CD2 . 31018 1 548 . 1 . 1 48 48 LEU N N 15 118.436 0.000 . . . . . . A 48 LEU N . 31018 1 549 . 1 . 1 49 49 LEU H H 1 7.520 0.000 . . . . . . A 49 LEU H . 31018 1 550 . 1 . 1 49 49 LEU HA H 1 4.806 0.000 . . . . . . A 49 LEU HA . 31018 1 551 . 1 . 1 49 49 LEU HB2 H 1 1.337 0.000 . . . . . . A 49 LEU HB2 . 31018 1 552 . 1 . 1 49 49 LEU HB3 H 1 1.834 0.000 . . . . . . A 49 LEU HB3 . 31018 1 553 . 1 . 1 49 49 LEU HG H 1 1.517 0.000 . . . . . . A 49 LEU HG . 31018 1 554 . 1 . 1 49 49 LEU HD11 H 1 0.468 0.000 . . . . . . A 49 LEU HD11 . 31018 1 555 . 1 . 1 49 49 LEU HD12 H 1 0.468 0.000 . . . . . . A 49 LEU HD12 . 31018 1 556 . 1 . 1 49 49 LEU HD13 H 1 0.468 0.000 . . . . . . A 49 LEU HD13 . 31018 1 557 . 1 . 1 49 49 LEU HD21 H 1 0.644 0.000 . . . . . . A 49 LEU HD21 . 31018 1 558 . 1 . 1 49 49 LEU HD22 H 1 0.644 0.000 . . . . . . A 49 LEU HD22 . 31018 1 559 . 1 . 1 49 49 LEU HD23 H 1 0.644 0.000 . . . . . . A 49 LEU HD23 . 31018 1 560 . 1 . 1 49 49 LEU C C 13 176.969 0.000 . . . . . . A 49 LEU C . 31018 1 561 . 1 . 1 49 49 LEU CA C 13 54.738 0.000 . . . . . . A 49 LEU CA . 31018 1 562 . 1 . 1 49 49 LEU CB C 13 44.725 0.000 . . . . . . A 49 LEU CB . 31018 1 563 . 1 . 1 49 49 LEU CG C 13 26.743 0.000 . . . . . . A 49 LEU CG . 31018 1 564 . 1 . 1 49 49 LEU CD1 C 13 23.100 0.000 . . . . . . A 49 LEU CD1 . 31018 1 565 . 1 . 1 49 49 LEU CD2 C 13 26.000 0.000 . . . . . . A 49 LEU CD2 . 31018 1 566 . 1 . 1 49 49 LEU N N 15 118.229 0.000 . . . . . . A 49 LEU N . 31018 1 567 . 1 . 1 50 50 ARG H H 1 8.105 0.000 . . . . . . A 50 ARG H . 31018 1 568 . 1 . 1 50 50 ARG HA H 1 4.636 0.000 . . . . . . A 50 ARG HA . 31018 1 569 . 1 . 1 50 50 ARG HB2 H 1 1.834 0.000 . . . . . . A 50 ARG HB2 . 31018 1 570 . 1 . 1 50 50 ARG HB3 H 1 1.795 0.000 . . . . . . A 50 ARG HB3 . 31018 1 571 . 1 . 1 50 50 ARG HG2 H 1 1.664 0.000 . . . . . . A 50 ARG HG2 . 31018 1 572 . 1 . 1 50 50 ARG HG3 H 1 1.616 0.000 . . . . . . A 50 ARG HG3 . 31018 1 573 . 1 . 1 50 50 ARG HD2 H 1 3.241 0.000 . . . . . . A 50 ARG HD2 . 31018 1 574 . 1 . 1 50 50 ARG HD3 H 1 3.166 0.000 . . . . . . A 50 ARG HD3 . 31018 1 575 . 1 . 1 50 50 ARG C C 13 176.591 0.000 . . . . . . A 50 ARG C . 31018 1 576 . 1 . 1 50 50 ARG CA C 13 55.484 0.000 . . . . . . A 50 ARG CA . 31018 1 577 . 1 . 1 50 50 ARG CB C 13 32.046 0.000 . . . . . . A 50 ARG CB . 31018 1 578 . 1 . 1 50 50 ARG CG C 13 27.488 0.000 . . . . . . A 50 ARG CG . 31018 1 579 . 1 . 1 50 50 ARG CD C 13 43.896 0.000 . . . . . . A 50 ARG CD . 31018 1 580 . 1 . 1 50 50 ARG N N 15 117.988 0.000 . . . . . . A 50 ARG N . 31018 1 581 . 1 . 1 51 51 VAL H H 1 8.161 0.001 . . . . . . A 51 VAL H . 31018 1 582 . 1 . 1 51 51 VAL HA H 1 4.124 0.000 . . . . . . A 51 VAL HA . 31018 1 583 . 1 . 1 51 51 VAL HB H 1 2.003 0.000 . . . . . . A 51 VAL HB . 31018 1 584 . 1 . 1 51 51 VAL HG11 H 1 0.828 0.000 . . . . . . A 51 VAL HG11 . 31018 1 585 . 1 . 1 51 51 VAL HG12 H 1 0.828 0.000 . . . . . . A 51 VAL HG12 . 31018 1 586 . 1 . 1 51 51 VAL HG13 H 1 0.828 0.000 . . . . . . A 51 VAL HG13 . 31018 1 587 . 1 . 1 51 51 VAL HG21 H 1 0.790 0.000 . . . . . . A 51 VAL HG21 . 31018 1 588 . 1 . 1 51 51 VAL HG22 H 1 0.790 0.000 . . . . . . A 51 VAL HG22 . 31018 1 589 . 1 . 1 51 51 VAL HG23 H 1 0.790 0.000 . . . . . . A 51 VAL HG23 . 31018 1 590 . 1 . 1 51 51 VAL C C 13 176.408 0.000 . . . . . . A 51 VAL C . 31018 1 591 . 1 . 1 51 51 VAL CA C 13 63.375 0.000 . . . . . . A 51 VAL CA . 31018 1 592 . 1 . 1 51 51 VAL CB C 13 32.709 0.000 . . . . . . A 51 VAL CB . 31018 1 593 . 1 . 1 51 51 VAL CG1 C 13 21.770 0.000 . . . . . . A 51 VAL CG1 . 31018 1 594 . 1 . 1 51 51 VAL CG2 C 13 21.439 0.000 . . . . . . A 51 VAL CG2 . 31018 1 595 . 1 . 1 51 51 VAL N N 15 121.334 0.000 . . . . . . A 51 VAL N . 31018 1 596 . 1 . 1 52 52 LYS H H 1 8.276 0.001 . . . . . . A 52 LYS H . 31018 1 597 . 1 . 1 52 52 LYS HA H 1 4.165 0.000 . . . . . . A 52 LYS HA . 31018 1 598 . 1 . 1 52 52 LYS HB2 H 1 1.708 0.000 . . . . . . A 52 LYS HB2 . 31018 1 599 . 1 . 1 52 52 LYS HB3 H 1 1.620 0.000 . . . . . . A 52 LYS HB3 . 31018 1 600 . 1 . 1 52 52 LYS HG2 H 1 1.282 0.000 . . . . . . A 52 LYS HG2 . 31018 1 601 . 1 . 1 52 52 LYS HG3 H 1 1.282 0.000 . . . . . . A 52 LYS HG3 . 31018 1 602 . 1 . 1 52 52 LYS HD2 H 1 1.578 0.000 . . . . . . A 52 LYS HD2 . 31018 1 603 . 1 . 1 52 52 LYS HD3 H 1 1.578 0.000 . . . . . . A 52 LYS HD3 . 31018 1 604 . 1 . 1 52 52 LYS HE2 H 1 2.832 0.000 . . . . . . A 52 LYS HE2 . 31018 1 605 . 1 . 1 52 52 LYS HE3 H 1 2.832 0.000 . . . . . . A 52 LYS HE3 . 31018 1 606 . 1 . 1 52 52 LYS C C 13 176.674 0.000 . . . . . . A 52 LYS C . 31018 1 607 . 1 . 1 52 52 LYS CA C 13 57.721 0.000 . . . . . . A 52 LYS CA . 31018 1 608 . 1 . 1 52 52 LYS CB C 13 33.127 0.000 . . . . . . A 52 LYS CB . 31018 1 609 . 1 . 1 52 52 LYS CG C 13 25.500 0.000 . . . . . . A 52 LYS CG . 31018 1 610 . 1 . 1 52 52 LYS CD C 13 29.525 0.000 . . . . . . A 52 LYS CD . 31018 1 611 . 1 . 1 52 52 LYS CE C 13 42.191 0.000 . . . . . . A 52 LYS CE . 31018 1 612 . 1 . 1 52 52 LYS N N 15 125.967 0.000 . . . . . . A 52 LYS N . 31018 1 613 . 1 . 1 53 53 LYS H H 1 8.170 0.001 . . . . . . A 53 LYS H . 31018 1 614 . 1 . 1 53 53 LYS HA H 1 4.304 0.000 . . . . . . A 53 LYS HA . 31018 1 615 . 1 . 1 53 53 LYS HB2 H 1 1.758 0.000 . . . . . . A 53 LYS HB2 . 31018 1 616 . 1 . 1 53 53 LYS HB3 H 1 1.758 0.000 . . . . . . A 53 LYS HB3 . 31018 1 617 . 1 . 1 53 53 LYS HG2 H 1 1.389 0.000 . . . . . . A 53 LYS HG2 . 31018 1 618 . 1 . 1 53 53 LYS HG3 H 1 1.336 0.000 . . . . . . A 53 LYS HG3 . 31018 1 619 . 1 . 1 53 53 LYS HD2 H 1 1.658 0.000 . . . . . . A 53 LYS HD2 . 31018 1 620 . 1 . 1 53 53 LYS HD3 H 1 1.658 0.000 . . . . . . A 53 LYS HD3 . 31018 1 621 . 1 . 1 53 53 LYS HE2 H 1 2.952 0.000 . . . . . . A 53 LYS HE2 . 31018 1 622 . 1 . 1 53 53 LYS HE3 H 1 2.952 0.000 . . . . . . A 53 LYS HE3 . 31018 1 623 . 1 . 1 53 53 LYS C C 13 176.523 0.000 . . . . . . A 53 LYS C . 31018 1 624 . 1 . 1 53 53 LYS CA C 13 57.042 0.000 . . . . . . A 53 LYS CA . 31018 1 625 . 1 . 1 53 53 LYS CB C 13 33.248 0.000 . . . . . . A 53 LYS CB . 31018 1 626 . 1 . 1 53 53 LYS CG C 13 25.002 0.000 . . . . . . A 53 LYS CG . 31018 1 627 . 1 . 1 53 53 LYS CD C 13 29.560 0.000 . . . . . . A 53 LYS CD . 31018 1 628 . 1 . 1 53 53 LYS CE C 13 42.514 0.000 . . . . . . A 53 LYS CE . 31018 1 629 . 1 . 1 53 53 LYS N N 15 121.912 0.000 . . . . . . A 53 LYS N . 31018 1 630 . 1 . 1 54 54 TRP H H 1 8.034 0.004 . . . . . . A 54 TRP H . 31018 1 631 . 1 . 1 54 54 TRP HA H 1 4.651 0.000 . . . . . . A 54 TRP HA . 31018 1 632 . 1 . 1 54 54 TRP HB2 H 1 3.315 0.000 . . . . . . A 54 TRP HB2 . 31018 1 633 . 1 . 1 54 54 TRP HB3 H 1 3.230 0.000 . . . . . . A 54 TRP HB3 . 31018 1 634 . 1 . 1 54 54 TRP HD1 H 1 7.200 0.000 . . . . . . A 54 TRP HD1 . 31018 1 635 . 1 . 1 54 54 TRP HE1 H 1 10.105 0.000 . . . . . . A 54 TRP HE1 . 31018 1 636 . 1 . 1 54 54 TRP HE3 H 1 7.520 0.002 . . . . . . A 54 TRP HE3 . 31018 1 637 . 1 . 1 54 54 TRP HZ2 H 1 7.360 0.000 . . . . . . A 54 TRP HZ2 . 31018 1 638 . 1 . 1 54 54 TRP HZ3 H 1 6.982 0.000 . . . . . . A 54 TRP HZ3 . 31018 1 639 . 1 . 1 54 54 TRP HH2 H 1 7.076 0.000 . . . . . . A 54 TRP HH2 . 31018 1 640 . 1 . 1 54 54 TRP C C 13 176.581 0.000 . . . . . . A 54 TRP C . 31018 1 641 . 1 . 1 54 54 TRP CA C 13 58.105 0.000 . . . . . . A 54 TRP CA . 31018 1 642 . 1 . 1 54 54 TRP CB C 13 29.809 0.000 . . . . . . A 54 TRP CB . 31018 1 643 . 1 . 1 54 54 TRP CD1 C 13 127.388 0.000 . . . . . . A 54 TRP CD1 . 31018 1 644 . 1 . 1 54 54 TRP CE3 C 13 120.900 0.000 . . . . . . A 54 TRP CE3 . 31018 1 645 . 1 . 1 54 54 TRP CZ2 C 13 114.700 0.000 . . . . . . A 54 TRP CZ2 . 31018 1 646 . 1 . 1 54 54 TRP CZ3 C 13 122.468 0.000 . . . . . . A 54 TRP CZ3 . 31018 1 647 . 1 . 1 54 54 TRP CH2 C 13 124.799 0.000 . . . . . . A 54 TRP CH2 . 31018 1 648 . 1 . 1 54 54 TRP N N 15 122.287 0.000 . . . . . . A 54 TRP N . 31018 1 649 . 1 . 1 54 54 TRP NE1 N 15 129.337 0.000 . . . . . . A 54 TRP NE1 . 31018 1 650 . 1 . 1 55 55 LEU H H 1 8.057 0.001 . . . . . . A 55 LEU H . 31018 1 651 . 1 . 1 55 55 LEU HA H 1 4.230 0.000 . . . . . . A 55 LEU HA . 31018 1 652 . 1 . 1 55 55 LEU HB2 H 1 1.550 0.000 . . . . . . A 55 LEU HB2 . 31018 1 653 . 1 . 1 55 55 LEU HB3 H 1 1.471 0.000 . . . . . . A 55 LEU HB3 . 31018 1 654 . 1 . 1 55 55 LEU HG H 1 1.502 0.000 . . . . . . A 55 LEU HG . 31018 1 655 . 1 . 1 55 55 LEU HD11 H 1 0.838 0.000 . . . . . . A 55 LEU HD11 . 31018 1 656 . 1 . 1 55 55 LEU HD12 H 1 0.838 0.000 . . . . . . A 55 LEU HD12 . 31018 1 657 . 1 . 1 55 55 LEU HD13 H 1 0.838 0.000 . . . . . . A 55 LEU HD13 . 31018 1 658 . 1 . 1 55 55 LEU HD21 H 1 0.794 0.000 . . . . . . A 55 LEU HD21 . 31018 1 659 . 1 . 1 55 55 LEU HD22 H 1 0.794 0.000 . . . . . . A 55 LEU HD22 . 31018 1 660 . 1 . 1 55 55 LEU HD23 H 1 0.794 0.000 . . . . . . A 55 LEU HD23 . 31018 1 661 . 1 . 1 55 55 LEU C C 13 177.355 0.000 . . . . . . A 55 LEU C . 31018 1 662 . 1 . 1 55 55 LEU CA C 13 55.774 0.000 . . . . . . A 55 LEU CA . 31018 1 663 . 1 . 1 55 55 LEU CB C 13 42.694 0.000 . . . . . . A 55 LEU CB . 31018 1 664 . 1 . 1 55 55 LEU CG C 13 27.157 0.000 . . . . . . A 55 LEU CG . 31018 1 665 . 1 . 1 55 55 LEU CD1 C 13 25.085 0.000 . . . . . . A 55 LEU CD1 . 31018 1 666 . 1 . 1 55 55 LEU CD2 C 13 23.800 0.000 . . . . . . A 55 LEU CD2 . 31018 1 667 . 1 . 1 55 55 LEU N N 15 122.691 0.000 . . . . . . A 55 LEU N . 31018 1 668 . 1 . 1 56 56 GLU H H 1 8.094 0.000 . . . . . . A 56 GLU H . 31018 1 669 . 1 . 1 56 56 GLU HA H 1 4.138 0.000 . . . . . . A 56 GLU HA . 31018 1 670 . 1 . 1 56 56 GLU HB2 H 1 1.924 0.000 . . . . . . A 56 GLU HB2 . 31018 1 671 . 1 . 1 56 56 GLU HB3 H 1 1.924 0.000 . . . . . . A 56 GLU HB3 . 31018 1 672 . 1 . 1 56 56 GLU HG2 H 1 2.244 0.000 . . . . . . A 56 GLU HG2 . 31018 1 673 . 1 . 1 56 56 GLU HG3 H 1 2.168 0.000 . . . . . . A 56 GLU HG3 . 31018 1 674 . 1 . 1 56 56 GLU C C 13 177.644 0.000 . . . . . . A 56 GLU C . 31018 1 675 . 1 . 1 56 56 GLU CA C 13 57.405 0.000 . . . . . . A 56 GLU CA . 31018 1 676 . 1 . 1 56 56 GLU CB C 13 30.537 0.000 . . . . . . A 56 GLU CB . 31018 1 677 . 1 . 1 56 56 GLU CG C 13 36.688 0.000 . . . . . . A 56 GLU CG . 31018 1 678 . 1 . 1 56 56 GLU N N 15 120.561 0.000 . . . . . . A 56 GLU N . 31018 1 679 . 1 . 1 57 57 HIS H H 1 7.908 0.000 . . . . . . A 57 HIS H . 31018 1 680 . 1 . 1 57 57 HIS C C 13 177.113 0.000 . . . . . . A 57 HIS C . 31018 1 681 . 1 . 1 57 57 HIS N N 15 115.796 0.000 . . . . . . A 57 HIS N . 31018 1 682 . 1 . 1 58 58 HIS H H 1 7.933 0.000 . . . . . . A 58 HIS H . 31018 1 683 . 1 . 1 58 58 HIS N N 15 121.680 0.000 . . . . . . A 58 HIS N . 31018 1 684 . 1 . 1 59 59 HIS C C 13 178.282 0.000 . . . . . . A 59 HIS C . 31018 1 685 . 1 . 1 60 60 HIS H H 1 8.340 0.000 . . . . . . A 60 HIS H . 31018 1 686 . 1 . 1 60 60 HIS N N 15 114.439 0.000 . . . . . . A 60 HIS N . 31018 1 687 . 1 . 1 61 61 HIS HA H 1 4.587 0.000 . . . . . . A 61 HIS HA . 31018 1 688 . 1 . 1 61 61 HIS HB2 H 1 3.045 0.000 . . . . . . A 61 HIS HB2 . 31018 1 689 . 1 . 1 61 61 HIS HB3 H 1 3.045 0.000 . . . . . . A 61 HIS HB3 . 31018 1 690 . 1 . 1 61 61 HIS C C 13 174.195 0.000 . . . . . . A 61 HIS C . 31018 1 691 . 1 . 1 61 61 HIS CA C 13 56.404 0.000 . . . . . . A 61 HIS CA . 31018 1 692 . 1 . 1 61 61 HIS CB C 13 30.803 0.000 . . . . . . A 61 HIS CB . 31018 1 693 . 1 . 1 62 62 HIS H H 1 7.994 0.001 . . . . . . A 62 HIS H . 31018 1 694 . 1 . 1 62 62 HIS N N 15 125.389 0.000 . . . . . . A 62 HIS N . 31018 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 31018 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 1H #INAME 2 1Hy #INAME 3 15N 2 10.109 10.109 129.337 1 U 4.596e+05 0.00e+00 m 0 884 884 879 0 3 9.447 9.447 129.104 1 U 1.542e+05 0.00e+00 m 0 371 371 370 0 4 8.750 8.750 128.447 1 U 2.912e+05 0.00e+00 m 0 693 693 692 0 5 8.562 8.562 126.266 1 U 3.532e+05 0.00e+00 m 0 193 193 192 0 6 8.272 8.272 125.967 1 U 1.122e+05 0.00e+00 m 0 817 817 816 0 7 8.835 8.835 125.879 1 U 4.268e+05 0.00e+00 m 0 624 624 623 0 8 8.874 8.874 125.409 1 U 4.088e+05 0.00e+00 m 0 157 157 156 0 9 7.996 7.996 125.389 1 U 9.884e+03 0.00e+00 m 0 1013 1013 1012 0 10 8.746 8.746 124.933 1 U 2.041e+05 0.00e+00 m 0 267 267 266 0 11 9.027 9.027 124.619 1 U 2.578e+05 0.00e+00 m 0 497 497 496 0 12 9.086 9.086 124.164 1 U 4.974e+05 0.00e+00 m 0 353 353 352 0 13 9.042 9.042 123.613 1 U 2.494e+05 0.00e+00 m 0 305 305 304 0 14 9.129 9.129 123.531 1 U 2.574e+05 0.00e+00 m 0 479 479 478 0 15 8.498 8.498 123.519 1 U 8.474e+05 0.00e+00 m 0 585 585 584 0 16 8.071 8.071 123.367 1 U 6.275e+05 0.00e+00 m 0 105 105 104 0 17 8.929 8.929 123.358 1 U 4.165e+05 0.00e+00 m 0 659 659 658 0 18 7.903 7.903 123.085 1 U 1.482e+05 0.00e+00 m 0 180 180 179 0 19 8.052 8.052 122.691 1 U 1.243e+05 0.00e+00 m 0 891 891 890 0 20 8.489 8.489 122.553 1 U 2.654e+04 0.00e+00 m 0 443 443 442 0 21 8.391 8.391 122.532 1 U 3.517e+05 0.00e+00 m 0 242 242 241 0 22 8.036 8.036 122.287 1 U 9.461e+04 0.00e+00 m 0 867 867 866 0 23 8.171 8.171 121.912 1 U 6.890e+04 0.00e+00 m 0 842 842 841 0 25 8.164 8.164 121.334 1 U 9.860e+04 0.00e+00 m 0 799 799 798 0 27 9.487 9.487 120.931 1 U 3.872e+05 0.00e+00 m 0 510 510 509 0 28 7.830 7.830 120.850 1 U 1.918e+05 0.00e+00 m 0 61 61 60 0 30 8.166 8.166 120.675 1 U 9.410e+05 0.00e+00 m 0 567 567 566 0 31 8.464 8.464 120.580 1 U 5.534e+04 0.00e+00 m 0 403 403 402 0 32 8.093 8.093 120.561 1 U 9.345e+04 0.00e+00 m 0 913 913 912 0 34 8.405 8.405 119.854 1 U 3.666e+05 0.00e+00 m 0 328 328 327 0 35 8.250 8.250 119.751 1 U 7.106e+05 0.00e+00 m 0 115 115 114 0 36 8.120 8.120 119.554 1 U 3.265e+05 0.00e+00 m 0 214 214 213 0 37 7.593 7.593 119.503 1 U 8.304e+04 0.00e+00 m 0 38 38 37 0 39 7.975 7.975 119.078 1 U 7.970e+05 0.00e+00 m 0 454 454 453 0 40 8.369 8.369 119.125 1 U 2.818e+05 0.00e+00 m 0 426 426 425 0 41 9.260 9.260 118.854 1 U 3.203e+05 0.00e+00 m 0 528 528 527 0 42 7.838 7.838 118.436 1 U 4.865e+05 0.00e+00 m 0 729 729 728 0 43 7.523 7.523 118.229 1 U 1.992e+05 0.00e+00 m 0 751 751 750 0 44 8.261 8.261 118.114 1 U 4.552e+05 0.00e+00 m 0 232 232 231 0 45 8.110 8.110 117.988 1 U 2.111e+05 0.00e+00 m 0 773 773 772 0 46 9.015 9.015 116.997 1 U 1.216e+05 0.00e+00 m 0 126 126 125 0 47 9.129 9.129 116.785 1 U 6.829e+03 0.00e+00 m 0 204 204 203 0 48 8.019 8.019 116.434 1 U 5.897e+05 0.00e+00 m 0 292 292 291 0 49 8.841 8.841 116.152 1 U 1.402e+05 0.00e+00 m 0 144 144 143 0 50 8.245 8.245 115.951 1 U 2.636e+05 0.00e+00 m 0 611 611 610 0 51 7.914 7.914 115.796 3 U 4.473e+04 0.00e+00 m 0 928 928 927 0 52 8.033 8.033 115.575 1 U 4.324e+05 0.00e+00 m 0 646 646 645 0 53 8.791 8.791 114.988 1 U 1.155e+04 0.00e+00 m 0 557 557 556 0 54 8.345 8.345 114.439 3 U 5.354e+04 0.00e+00 m 0 979 979 978 0 55 8.671 8.671 114.359 1 U 4.981e+05 0.00e+00 m 0 703 703 702 0 56 9.035 9.035 113.548 1 U 6.335e+04 0.00e+00 m 0 98 98 97 0 57 7.331 7.331 111.485 1 U 5.316e+05 0.00e+00 m 0 541 541 540 0 58 6.790 6.790 111.485 1 U 3.316e+05 0.00e+00 m 0 542 542 540 0 59 7.962 7.962 110.664 1 U 2.720e+05 0.00e+00 m 0 393 393 392 0 60 8.209 8.209 108.827 1 U 4.530e+05 0.00e+00 m 0 225 225 224 0 61 8.166 8.166 108.253 1 U 7.929e+05 0.00e+00 m 0 578 578 577 0 62 8.244 8.244 108.112 1 U 1.688e+04 0.00e+00 m 0 31 31 30 0 63 8.868 8.868 125.774 1 U 8.535e+05 0.00e+00 m 0 546 546 545 0 64 8.429 8.429 121.209 1 U 2.400e+05 0.00e+00 m 0 682 682 681 0 65 8.452 8.452 121.302 1 U 5.861e+05 0.00e+00 m 0 72 72 71 0 66 8.440 8.440 116.100 1 U 1.430e+02 0.00e+00 m 0 436 436 435 0 71 9.487 2.115 120.931 3 U 3.948e+03 0.00e+00 m 0 510 514 509 0 72 9.487 0.731 120.931 3 U 1.404e+04 0.00e+00 m 0 510 515 509 0 73 9.487 0.446 120.931 3 U 2.629e+04 0.00e+00 m 0 510 516 509 0 76 7.593 3.798 119.503 3 U 4.152e+03 0.00e+00 m 0 38 34 37 0 77 7.593 3.653 119.503 3 U 3.505e+03 0.00e+00 m 0 38 33 37 0 78 7.830 4.701 120.850 3 U 1.402e+04 0.00e+00 m 0 61 63 60 0 79 7.830 4.520 120.850 3 U 1.059e+04 0.00e+00 m 0 61 40 60 0 80 8.452 3.884 121.302 3 U 8.078e+03 0.00e+00 m 0 72 74 71 0 81 8.452 4.693 121.302 3 U 4.480e+04 0.00e+00 m 0 72 63 71 0 82 9.035 8.071 113.548 3 U 4.777e+03 0.00e+00 m 0 98 105 97 0 83 8.071 9.035 123.367 3 U 8.055e+03 0.00e+00 m 0 105 98 104 0 86 8.071 3.740 123.367 3 U 7.657e+03 0.00e+00 m 0 105 100 104 0 87 8.071 3.877 123.367 3 U 4.260e+03 0.00e+00 m 0 105 74 104 0 88 9.035 3.754 113.548 3 U 6.813e+03 0.00e+00 m 0 98 100 97 0 89 9.035 3.891 113.548 3 U 1.269e+04 0.00e+00 m 0 98 74 97 0 90 9.035 4.341 113.548 3 U 3.325e+03 0.00e+00 m 0 98 101 97 0 92 8.250 5.437 119.751 3 U 1.043e+04 0.00e+00 m 0 115 117 114 0 93 8.250 4.390 119.751 3 U 5.020e+04 0.00e+00 m 0 115 107 114 0 95 9.015 5.423 116.997 3 U 1.502e+04 0.00e+00 m 0 126 117 125 0 96 9.015 4.953 116.997 3 U 2.912e+03 0.00e+00 m 0 126 128 125 0 99 8.841 4.953 116.152 3 U 1.579e+04 0.00e+00 m 0 144 128 143 0 101 8.841 3.964 116.152 3 U 6.990e+03 0.00e+00 m 0 144 148 143 0 102 8.244 3.795 108.112 3 U 2.079e+03 0.00e+00 m 0 31 34 30 0 103 8.244 3.651 108.112 3 U 1.863e+03 0.00e+00 m 0 31 33 30 0 104 7.593 2.603 119.503 3 U 6.267e+03 0.00e+00 m 0 38 43 37 0 106 7.830 2.502 120.850 3 U 7.476e+03 0.00e+00 m 0 61 66 60 0 107 7.830 1.505 120.850 3 U 3.840e+03 0.00e+00 m 0 61 108 60 0 108 8.452 1.852 121.302 3 U 2.580e+04 0.00e+00 m 0 72 78 71 0 109 9.035 2.358 113.548 3 U 2.377e+03 0.00e+00 m 0 98 357 97 0 110 9.035 1.838 113.548 3 U 2.542e+03 0.00e+00 m 0 98 80 97 0 111 8.071 2.358 123.367 3 U 1.502e+04 0.00e+00 m 0 105 357 104 0 112 8.071 2.517 123.367 3 U 2.839e+03 0.00e+00 m 0 105 66 104 0 113 8.071 1.505 123.367 3 U 3.168e+04 0.00e+00 m 0 105 108 104 0 114 8.071 0.971 123.367 3 U 4.113e+03 0.00e+00 m 0 105 358 104 0 115 8.071 0.740 123.367 3 U 3.237e+03 0.00e+00 m 0 105 359 104 0 116 8.250 2.632 119.751 3 U 2.719e+04 0.00e+00 m 0 115 119 114 0 117 8.250 2.495 119.751 3 U 9.589e+03 0.00e+00 m 0 115 120 114 0 118 8.250 1.513 119.751 3 U 1.543e+04 0.00e+00 m 0 115 108 114 0 119 9.015 2.495 116.997 3 U 3.225e+03 0.00e+00 m 0 126 120 125 0 120 9.015 0.841 116.997 3 U 9.634e+03 0.00e+00 m 0 126 131 125 0 121 9.015 2.062 116.997 3 U 1.846e+03 0.00e+00 m 0 126 130 125 0 122 8.841 2.040 116.152 3 U 7.760e+03 0.00e+00 m 0 144 130 143 0 123 8.841 1.122 116.152 3 U 3.189e+03 0.00e+00 m 0 144 149 143 0 124 8.841 0.841 116.152 3 U 4.800e+03 0.00e+00 m 0 144 131 143 0 125 9.015 1.166 116.997 3 U 2.028e+03 0.00e+00 m 0 126 297 125 0 126 8.874 7.903 125.409 3 U 1.691e+03 0.00e+00 m 0 157 180 156 0 129 8.874 5.083 125.409 3 U 4.220e+03 0.00e+00 m 0 157 294 156 0 130 8.874 4.874 125.409 3 U 7.817e+03 0.00e+00 m 0 157 159 156 0 133 8.874 6.807 125.409 3 U 3.438e+03 0.00e+00 m 0 157 164 156 0 134 8.874 6.652 125.409 3 U 2.566e+03 0.00e+00 m 0 157 0 156 0 135 7.903 6.831 123.085 3 U 2.787e+03 0.00e+00 m 0 180 164 179 0 136 7.903 4.874 123.085 3 U 1.797e+04 0.00e+00 m 0 180 159 179 0 137 7.903 4.707 123.085 3 U 1.036e+04 0.00e+00 m 0 180 182 179 0 138 7.903 3.878 123.085 3 U 7.885e+03 0.00e+00 m 0 180 184 179 0 139 8.562 4.707 126.266 3 U 5.521e+04 0.00e+00 m 0 193 182 192 0 142 8.120 4.689 119.554 3 U 2.465e+04 0.00e+00 m 0 214 216 213 0 143 8.120 4.218 119.554 3 U 5.455e+03 0.00e+00 m 0 214 206 213 0 144 8.120 3.997 119.554 3 U 4.989e+03 0.00e+00 m 0 214 209 213 0 145 8.209 4.689 108.827 3 U 2.840e+04 0.00e+00 m 0 225 216 224 0 150 8.391 4.960 122.532 3 U 7.987e+03 0.00e+00 m 0 242 244 241 0 154 8.746 4.952 124.933 3 U 2.580e+04 0.00e+00 m 0 267 244 266 0 156 8.019 5.083 116.434 3 U 9.521e+03 0.00e+00 m 0 292 294 291 0 157 8.019 4.558 116.434 3 U 4.242e+04 0.00e+00 m 0 292 269 291 0 160 8.874 2.735 125.409 3 U 1.295e+04 0.00e+00 m 0 157 161 156 0 161 8.874 2.656 125.409 3 U 8.169e+03 0.00e+00 m 0 157 162 156 0 162 8.874 1.109 125.409 3 U 7.033e+03 0.00e+00 m 0 157 149 156 0 163 8.874 1.583 125.409 3 U 2.232e+03 0.00e+00 m 0 157 272 156 0 164 8.562 2.783 126.266 3 U 1.941e+04 0.00e+00 m 0 193 198 192 0 165 8.562 3.037 126.266 3 U 1.252e+04 0.00e+00 m 0 193 197 192 0 166 8.562 3.891 126.266 3 U 3.048e+03 0.00e+00 m 0 193 184 192 0 167 8.562 1.123 126.266 3 U 9.441e+03 0.00e+00 m 0 193 185 192 0 168 8.120 2.998 119.554 3 U 9.884e+03 0.00e+00 m 0 214 218 213 0 169 8.120 2.744 119.554 3 U 1.064e+04 0.00e+00 m 0 214 219 213 0 170 7.903 2.660 123.085 3 U 2.434e+03 0.00e+00 m 0 180 162 179 0 171 7.903 1.114 123.085 3 U 2.303e+03 0.00e+00 m 0 180 185 179 0 180 8.391 1.416 122.532 3 U 4.590e+03 0.00e+00 m 0 242 250 241 0 182 8.746 1.618 124.933 3 U 1.224e+04 0.00e+00 m 0 267 271 266 0 183 8.746 1.372 124.933 3 U 3.789e+03 0.00e+00 m 0 267 251 266 0 184 8.746 1.464 124.933 3 U 2.964e+03 0.00e+00 m 0 267 275 266 0 185 8.019 1.574 116.434 3 U 1.306e+04 0.00e+00 m 0 292 272 291 0 186 8.019 1.158 116.434 3 U 7.692e+03 0.00e+00 m 0 292 297 291 0 189 9.042 5.089 123.613 3 U 3.404e+04 0.00e+00 m 0 305 294 304 0 191 9.042 3.923 123.613 3 U 3.652e+03 0.00e+00 m 0 305 296 304 0 192 8.405 9.260 119.854 3 U 9.021e+03 0.00e+00 m 0 328 528 327 0 193 8.405 6.775 119.854 3 U 3.418e+03 0.00e+00 m 0 328 312 327 0 194 8.405 5.298 119.854 3 U 8.714e+03 0.00e+00 m 0 328 330 327 0 195 8.405 5.089 119.854 3 U 3.218e+04 0.00e+00 m 0 328 307 327 0 196 9.086 5.311 124.164 3 U 4.827e+04 0.00e+00 m 0 353 330 352 0 197 9.086 3.765 124.164 3 U 1.234e+04 0.00e+00 m 0 353 355 352 0 198 9.086 8.071 124.164 3 U 4.794e+03 0.00e+00 m 0 353 105 352 0 199 9.447 7.962 129.104 3 U 1.362e+04 0.00e+00 m 0 371 393 370 0 200 9.447 5.387 129.104 3 U 2.240e+04 0.00e+00 m 0 371 512 370 0 201 9.447 3.771 129.104 3 U 3.772e+04 0.00e+00 m 0 371 355 370 0 202 9.447 4.639 129.104 3 U 6.652e+03 0.00e+00 m 0 371 373 370 0 203 7.962 9.027 110.664 3 U 8.726e+03 0.00e+00 m 0 393 497 392 0 204 7.962 9.447 110.664 3 U 2.166e+04 0.00e+00 m 0 393 371 392 0 208 7.962 5.394 110.664 3 U 3.249e+03 0.00e+00 m 0 393 512 392 0 209 8.464 3.853 120.580 3 U 1.030e+04 0.00e+00 m 0 403 399 402 0 210 8.464 4.608 120.580 3 U 1.313e+04 0.00e+00 m 0 403 395 402 0 212 8.369 7.975 119.125 3 U 6.556e+03 0.00e+00 m 0 426 454 425 0 213 8.369 7.073 119.125 3 U 5.728e+03 0.00e+00 m 0 426 410 425 0 214 8.369 5.286 119.125 3 U 4.178e+04 0.00e+00 m 0 426 405 425 0 218 8.489 7.975 122.553 3 U 5.206e+03 0.00e+00 m 0 443 454 442 0 220 8.489 4.075 122.553 3 U 4.533e+03 0.00e+00 m 0 443 439 442 0 222 7.975 5.045 119.078 3 U 1.284e+04 0.00e+00 m 0 454 456 453 0 223 7.975 4.081 119.078 3 U 5.077e+03 0.00e+00 m 0 454 439 453 0 224 7.975 8.369 119.078 3 U 6.861e+03 0.00e+00 m 0 454 426 453 0 225 7.975 8.489 119.078 3 U 9.703e+03 0.00e+00 m 0 454 443 453 0 226 9.042 0.841 123.613 3 U 4.402e+03 0.00e+00 m 0 305 131 304 0 227 9.042 1.157 123.613 3 U 8.941e+03 0.00e+00 m 0 305 297 304 0 228 9.042 2.384 123.613 3 U 7.237e+03 0.00e+00 m 0 305 310 304 0 230 9.042 3.009 123.613 3 U 3.398e+03 0.00e+00 m 0 305 309 304 0 231 8.405 3.009 119.854 3 U 1.825e+04 0.00e+00 m 0 328 309 327 0 232 8.405 2.384 119.854 3 U 6.259e+03 0.00e+00 m 0 328 310 327 0 233 8.405 2.114 119.854 3 U 7.260e+03 0.00e+00 m 0 328 514 327 0 234 8.405 1.473 119.854 3 U 4.789e+03 0.00e+00 m 0 328 338 327 0 235 8.405 1.710 119.854 3 U 1.126e+04 0.00e+00 m 0 328 333 327 0 236 8.405 1.832 119.854 3 U 1.372e+04 0.00e+00 m 0 328 332 327 0 237 9.086 2.348 124.164 3 U 2.977e+04 0.00e+00 m 0 353 357 352 0 239 9.086 1.717 124.164 3 U 6.917e+03 0.00e+00 m 0 353 333 352 0 240 9.086 1.480 124.164 3 U 8.896e+03 0.00e+00 m 0 353 338 352 0 241 9.086 0.970 124.164 3 U 3.490e+04 0.00e+00 m 0 353 358 352 0 242 9.086 0.734 124.164 3 U 7.089e+03 0.00e+00 m 0 353 359 352 0 243 9.447 1.530 129.104 3 U 2.160e+04 0.00e+00 m 0 371 377 370 0 244 9.447 0.741 129.104 3 U 1.704e+04 0.00e+00 m 0 371 359 370 0 246 9.447 0.848 129.104 3 U 5.206e+03 0.00e+00 m 0 371 381 370 0 248 9.447 0.985 129.104 3 U 3.613e+03 0.00e+00 m 0 371 358 370 0 249 9.447 1.164 129.104 3 U 2.598e+03 0.00e+00 m 0 371 502 370 0 250 9.447 1.846 129.104 3 U 2.099e+03 0.00e+00 m 0 371 78 370 0 251 9.447 2.112 129.104 3 U 1.914e+03 0.00e+00 m 0 371 514 370 0 252 9.447 2.363 129.104 3 U 2.087e+03 0.00e+00 m 0 371 357 370 0 253 7.962 1.523 110.664 3 U 2.619e+04 0.00e+00 m 0 393 377 392 0 254 7.962 1.171 110.664 3 U 3.112e+03 0.00e+00 m 0 393 502 392 0 255 7.962 0.741 110.664 3 U 1.970e+04 0.00e+00 m 0 393 359 392 0 258 8.369 1.932 119.125 3 U 2.578e+03 0.00e+00 m 0 426 458 425 0 259 8.489 3.662 122.553 3 U 1.560e+03 0.00e+00 m 0 443 438 442 0 260 8.489 2.887 122.553 3 U 2.391e+03 0.00e+00 m 0 443 449 442 0 262 7.975 2.887 119.078 3 U 6.307e+03 0.00e+00 m 0 454 449 453 0 263 7.975 1.939 119.078 3 U 2.552e+04 0.00e+00 m 0 454 458 453 0 264 7.975 1.566 119.078 3 U 1.105e+04 0.00e+00 m 0 454 459 453 0 265 7.975 1.466 119.078 3 U 1.154e+04 0.00e+00 m 0 454 464 453 0 266 9.129 7.975 123.531 3 U 3.494e+03 0.00e+00 m 0 479 454 478 0 267 9.129 4.665 123.531 3 U 5.624e+03 0.00e+00 m 0 479 481 478 0 269 9.027 7.962 124.619 3 U 5.696e+03 0.00e+00 m 0 497 393 496 0 270 9.027 4.679 124.619 3 U 3.690e+04 0.00e+00 m 0 497 481 496 0 271 9.027 5.212 124.619 3 U 9.805e+03 0.00e+00 m 0 497 499 496 0 272 9.027 5.295 124.619 3 U 8.566e+03 0.00e+00 m 0 497 405 496 0 273 9.487 5.195 120.931 3 U 6.890e+04 0.00e+00 m 0 510 499 509 0 275 9.487 8.848 120.931 3 U 1.239e+04 0.00e+00 m 0 510 624 509 0 276 9.260 8.405 118.854 3 U 1.570e+04 0.00e+00 m 0 528 328 527 0 277 9.260 5.378 118.854 3 U 4.448e+04 0.00e+00 m 0 528 512 527 0 278 9.260 5.101 118.854 3 U 3.269e+03 0.00e+00 m 0 528 307 527 0 282 7.331 6.790 111.485 3 U 2.126e+05 0.00e+00 m 0 541 542 540 0 284 6.790 7.331 111.485 3 U 3.646e+05 0.00e+00 m 0 542 541 540 0 285 8.868 5.683 125.774 3 U 8.240e+04 0.00e+00 m 0 546 530 545 0 286 8.835 5.311 125.879 3 U 5.999e+04 0.00e+00 m 0 624 613 623 0 287 8.868 4.369 125.774 3 U 3.016e+03 0.00e+00 m 0 546 587 545 0 290 8.835 4.618 125.879 3 U 8.203e+03 0.00e+00 m 0 624 626 623 0 292 8.791 8.166 114.988 3 U 3.418e+03 0.00e+00 m 0 557 567 556 0 295 8.166 8.498 120.675 3 U 6.974e+03 0.00e+00 m 0 567 585 566 0 296 8.166 8.791 120.675 3 U 5.118e+03 0.00e+00 m 0 567 557 566 0 297 8.166 8.498 108.253 3 U 3.595e+04 0.00e+00 m 0 578 585 577 0 298 8.166 8.868 108.253 3 U 3.584e+03 0.00e+00 m 0 578 546 577 0 299 8.166 4.358 108.253 3 U 2.536e+04 0.00e+00 m 0 578 581 577 0 300 8.166 4.846 108.253 3 U 7.283e+03 0.00e+00 m 0 578 569 577 0 302 8.166 5.223 120.675 3 U 4.419e+03 0.00e+00 m 0 567 548 566 0 303 8.166 4.851 120.675 3 U 1.500e+04 0.00e+00 m 0 567 569 566 0 305 8.166 4.274 120.675 3 U 1.359e+04 0.00e+00 m 0 567 559 566 0 306 9.129 3.792 123.531 3 U 1.642e+03 0.00e+00 m 0 479 695 478 0 308 9.129 2.504 123.531 3 U 2.642e+03 0.00e+00 m 0 479 664 478 0 310 9.129 1.766 123.531 3 U 1.411e+04 0.00e+00 m 0 479 483 478 0 311 9.129 1.564 123.531 3 U 1.268e+04 0.00e+00 m 0 479 459 478 0 312 9.129 1.074 123.531 3 U 5.712e+03 0.00e+00 m 0 479 651 478 0 313 9.129 0.759 123.531 3 U 7.612e+03 0.00e+00 m 0 479 484 478 0 314 9.129 0.504 123.531 3 U 1.248e+04 0.00e+00 m 0 479 485 478 0 315 9.027 4.041 124.619 3 U 2.307e+04 0.00e+00 m 0 497 501 496 0 316 9.027 3.054 124.619 3 U 1.745e+03 0.00e+00 m 0 497 409 496 0 318 9.027 1.524 124.619 3 U 2.371e+03 0.00e+00 m 0 497 377 496 0 319 9.027 0.497 124.619 3 U 6.323e+03 0.00e+00 m 0 497 485 496 0 320 9.027 0.746 124.619 3 U 1.370e+04 0.00e+00 m 0 497 484 496 0 321 9.027 1.175 124.619 3 U 3.036e+03 0.00e+00 m 0 497 502 496 0 322 9.487 1.162 120.931 3 U 2.163e+04 0.00e+00 m 0 510 502 509 0 324 9.487 4.021 120.931 3 U 4.050e+03 0.00e+00 m 0 510 615 509 0 325 9.487 3.766 120.931 3 U 1.598e+03 0.00e+00 m 0 510 355 509 0 326 9.260 3.786 118.854 3 U 3.406e+03 0.00e+00 m 0 528 355 527 0 327 9.260 3.021 118.854 3 U 6.901e+03 0.00e+00 m 0 528 309 527 0 329 9.260 2.611 118.854 3 U 2.554e+03 0.00e+00 m 0 528 536 527 0 330 9.260 2.108 118.854 3 U 3.731e+04 0.00e+00 m 0 528 514 527 0 335 9.260 0.450 118.854 3 U 5.704e+03 0.00e+00 m 0 528 516 527 0 336 9.260 0.732 118.854 3 U 6.869e+03 0.00e+00 m 0 528 515 527 0 337 9.260 0.846 118.854 3 U 4.516e+03 0.00e+00 m 0 528 381 527 0 338 9.260 1.130 118.854 3 U 1.697e+03 0.00e+00 m 0 528 616 527 0 339 7.331 4.363 111.485 3 U 2.445e+03 0.00e+00 m 0 541 581 540 0 340 7.331 3.598 111.485 3 U 1.691e+03 0.00e+00 m 0 541 580 540 0 341 7.331 2.611 111.485 3 U 4.414e+03 0.00e+00 m 0 541 536 540 0 342 7.331 2.209 111.485 3 U 6.982e+03 0.00e+00 m 0 541 537 540 0 343 7.331 0.853 111.485 3 U 2.243e+03 0.00e+00 m 0 541 381 540 0 344 7.331 1.115 111.485 3 U 1.948e+03 0.00e+00 m 0 541 616 540 0 346 6.790 4.370 111.485 3 U 2.578e+03 0.00e+00 m 0 542 581 540 0 347 6.790 3.625 111.485 3 U 1.610e+03 0.00e+00 m 0 542 580 540 0 348 6.790 2.611 111.485 3 U 3.229e+03 0.00e+00 m 0 542 536 540 0 349 6.790 2.202 111.485 3 U 3.902e+03 0.00e+00 m 0 542 537 540 0 350 6.790 0.853 111.485 3 U 2.518e+03 0.00e+00 m 0 542 381 540 0 354 8.791 4.015 114.988 3 U 2.439e+03 0.00e+00 m 0 557 562 556 0 355 8.791 4.269 114.988 3 U 2.883e+03 0.00e+00 m 0 557 559 556 0 356 8.166 4.088 120.675 3 U 5.439e+03 0.00e+00 m 0 567 561 566 0 357 8.166 4.007 120.675 3 U 4.749e+03 0.00e+00 m 0 567 562 566 0 358 8.166 3.611 120.675 3 U 3.076e+03 0.00e+00 m 0 567 0 566 0 359 8.166 3.350 120.675 3 U 5.760e+03 0.00e+00 m 0 567 550 566 0 360 8.166 2.833 120.675 3 U 3.590e+04 0.00e+00 m 0 567 573 566 0 361 8.166 3.605 108.253 3 U 4.287e+04 0.00e+00 m 0 578 580 577 0 363 8.166 2.625 108.253 3 U 2.996e+03 0.00e+00 m 0 578 536 577 0 364 8.166 2.027 108.253 3 U 3.470e+03 0.00e+00 m 0 578 0 577 0 366 8.166 2.021 120.675 3 U 2.502e+03 0.00e+00 m 0 567 589 566 0 368 8.868 3.343 125.774 3 U 1.358e+04 0.00e+00 m 0 546 550 545 0 370 8.868 2.618 125.774 3 U 7.987e+03 0.00e+00 m 0 546 536 545 0 371 8.868 2.927 125.774 3 U 1.961e+04 0.00e+00 m 0 546 551 545 0 373 8.868 2.081 125.774 3 U 6.548e+03 0.00e+00 m 0 546 532 545 0 374 8.868 1.913 125.774 3 U 5.913e+03 0.00e+00 m 0 546 533 545 0 375 8.868 3.605 125.774 3 U 3.382e+03 0.00e+00 m 0 546 580 545 0 378 8.835 0.450 125.879 3 U 9.055e+03 0.00e+00 m 0 624 516 623 0 379 8.835 0.759 125.879 3 U 6.082e+03 0.00e+00 m 0 624 633 623 0 380 8.835 1.135 125.879 3 U 2.706e+04 0.00e+00 m 0 624 630 623 0 381 8.835 1.376 125.879 3 U 7.396e+03 0.00e+00 m 0 624 632 623 0 382 8.835 0.846 125.879 3 U 2.136e+03 0.00e+00 m 0 624 381 623 0 383 9.487 0.846 120.931 3 U 4.027e+03 0.00e+00 m 0 510 381 509 0 384 9.487 1.524 120.931 3 U 3.329e+03 0.00e+00 m 0 510 0 509 0 385 8.498 8.166 123.519 3 U 5.936e+04 0.00e+00 m 0 585 578 584 0 386 8.498 4.362 123.519 3 U 3.250e+04 0.00e+00 m 0 585 587 584 0 387 8.245 8.872 115.951 3 U 3.434e+03 0.00e+00 m 0 611 0 610 0 389 8.245 4.367 115.951 3 U 7.362e+04 0.00e+00 m 0 611 587 610 0 390 8.033 5.247 115.575 3 U 1.115e+04 0.00e+00 m 0 646 648 645 0 391 8.033 4.625 115.575 3 U 2.638e+04 0.00e+00 m 0 646 626 645 0 392 8.929 8.033 123.358 3 U 4.283e+03 0.00e+00 m 0 659 646 658 0 393 8.929 6.799 123.358 3 U 4.243e+03 0.00e+00 m 0 659 666 658 0 400 8.750 4.815 128.447 3 U 3.322e+04 0.00e+00 m 0 693 684 692 0 401 8.671 7.838 114.359 3 U 1.759e+04 0.00e+00 m 0 703 729 702 0 402 8.671 4.225 114.359 3 U 1.570e+04 0.00e+00 m 0 703 705 702 0 404 7.838 7.523 118.436 3 U 2.127e+04 0.00e+00 m 0 729 751 728 0 405 7.838 8.676 118.436 3 U 1.870e+04 0.00e+00 m 0 729 703 728 0 406 7.523 7.838 118.229 3 U 1.432e+04 0.00e+00 m 0 751 729 750 0 407 7.523 8.110 118.229 3 U 4.981e+03 0.00e+00 m 0 751 773 750 0 408 7.523 4.394 118.229 3 U 4.198e+03 0.00e+00 m 0 751 731 750 0 412 7.838 4.394 118.436 3 U 1.054e+04 0.00e+00 m 0 729 731 728 0 413 7.838 4.225 118.436 3 U 6.114e+03 0.00e+00 m 0 729 705 728 0 414 8.498 3.613 123.519 3 U 1.115e+04 0.00e+00 m 0 585 580 584 0 418 8.498 1.753 123.519 3 U 2.172e+04 0.00e+00 m 0 585 593 584 0 420 8.498 2.026 123.519 3 U 3.272e+04 0.00e+00 m 0 585 589 584 0 421 8.498 2.826 123.519 3 U 7.419e+03 0.00e+00 m 0 585 573 584 0 422 8.498 1.857 123.519 3 U 1.913e+04 0.00e+00 m 0 585 590 584 0 423 8.498 1.636 123.519 3 U 6.435e+03 0.00e+00 m 0 585 594 584 0 424 8.245 3.999 115.951 3 U 1.841e+04 0.00e+00 m 0 611 615 610 0 425 8.245 3.307 115.951 3 U 3.088e+03 0.00e+00 m 0 611 599 610 0 427 8.245 1.626 115.951 3 U 2.980e+03 0.00e+00 m 0 611 594 610 0 428 8.245 1.857 115.951 3 U 1.396e+04 0.00e+00 m 0 611 590 610 0 429 8.245 2.007 115.951 3 U 6.234e+03 0.00e+00 m 0 611 589 610 0 431 8.033 3.716 115.575 3 U 2.095e+04 0.00e+00 m 0 646 650 645 0 432 8.929 3.721 123.358 3 U 6.017e+03 0.00e+00 m 0 659 650 658 0 433 8.929 3.085 123.358 3 U 5.551e+03 0.00e+00 m 0 659 663 658 0 434 8.929 2.488 123.358 3 U 1.713e+04 0.00e+00 m 0 659 664 658 0 435 8.929 1.786 123.358 3 U 3.205e+03 0.00e+00 m 0 659 483 658 0 436 8.245 1.129 115.951 3 U 7.998e+03 0.00e+00 m 0 611 616 610 0 437 8.033 0.784 115.575 3 U 3.681e+03 0.00e+00 m 0 646 634 645 0 440 8.929 1.542 123.358 3 U 2.059e+03 0.00e+00 m 0 659 0 658 0 443 8.929 0.744 123.358 3 U 5.118e+03 0.00e+00 m 0 659 484 658 0 444 8.929 0.466 123.358 3 U 2.863e+03 0.00e+00 m 0 659 760 658 0 447 8.429 3.076 121.209 3 U 1.266e+04 0.00e+00 m 0 682 663 681 0 449 8.429 2.648 121.209 3 U 2.417e+04 0.00e+00 m 0 682 687 681 0 450 8.429 2.491 121.209 3 U 5.712e+03 0.00e+00 m 0 682 664 681 0 451 8.429 1.200 121.209 3 U 4.703e+03 0.00e+00 m 0 682 738 681 0 452 8.750 3.796 128.447 3 U 1.334e+04 0.00e+00 m 0 693 695 692 0 453 8.750 2.883 128.447 3 U 7.805e+03 0.00e+00 m 0 693 686 692 0 454 8.750 2.655 128.447 3 U 3.607e+03 0.00e+00 m 0 693 687 692 0 455 8.750 1.357 128.447 3 U 3.109e+04 0.00e+00 m 0 693 696 692 0 456 8.750 0.494 128.447 3 U 2.795e+03 0.00e+00 m 0 693 485 692 0 457 8.750 1.642 128.447 3 U 3.024e+03 0.00e+00 m 0 693 466 692 0 458 8.750 1.963 128.447 3 U 2.340e+03 0.00e+00 m 0 693 733 692 0 459 8.671 3.796 114.359 3 U 5.190e+03 0.00e+00 m 0 703 695 702 0 460 8.671 3.297 114.359 3 U 3.510e+03 0.00e+00 m 0 703 717 702 0 461 8.671 2.883 114.359 3 U 7.214e+03 0.00e+00 m 0 703 686 702 0 463 8.671 1.721 114.359 3 U 1.582e+04 0.00e+00 m 0 703 713 702 0 464 8.671 1.357 114.359 3 U 8.794e+03 0.00e+00 m 0 703 696 702 0 465 7.838 3.810 118.436 3 U 3.145e+03 0.00e+00 m 0 729 695 728 0 466 7.838 2.876 118.436 3 U 4.692e+03 0.00e+00 m 0 729 686 728 0 467 7.838 2.662 118.436 3 U 2.659e+03 0.00e+00 m 0 729 687 728 0 469 7.838 1.949 118.436 3 U 3.218e+04 0.00e+00 m 0 729 733 728 0 470 7.838 1.749 118.436 3 U 2.426e+04 0.00e+00 m 0 729 713 728 0 471 7.838 0.965 118.436 3 U 3.936e+03 0.00e+00 m 0 729 739 728 0 472 7.838 1.200 118.436 3 U 3.345e+03 0.00e+00 m 0 729 738 728 0 474 8.671 2.648 114.359 3 U 2.042e+03 0.00e+00 m 0 703 687 702 0 475 8.110 7.523 117.988 3 U 5.527e+03 0.00e+00 m 0 773 751 772 0 478 8.164 4.648 121.334 3 U 5.045e+03 0.00e+00 m 0 799 775 798 0 479 8.164 4.135 121.334 3 U 2.510e+03 0.00e+00 m 0 799 801 798 0 482 8.272 4.135 125.967 3 U 1.920e+04 0.00e+00 m 0 817 801 816 0 484 8.171 4.304 121.912 3 U 4.522e+03 0.00e+00 m 0 842 844 841 0 485 8.171 4.171 121.912 3 U 8.464e+03 0.00e+00 m 0 842 819 841 0 488 8.052 4.679 122.691 3 U 2.050e+04 0.00e+00 m 0 891 869 890 0 489 8.052 4.227 122.691 3 U 6.885e+03 0.00e+00 m 0 891 893 890 0 491 8.093 4.233 120.561 3 U 9.475e+03 0.00e+00 m 0 913 893 912 0 494 10.109 7.371 129.337 3 U 8.101e+03 0.00e+00 m 0 884 887 879 0 495 10.109 7.203 129.337 3 U 2.494e+04 0.00e+00 m 0 884 880 879 0 497 8.093 2.187 120.561 3 U 2.570e+03 0.00e+00 m 0 913 922 912 0 498 8.093 1.927 120.561 3 U 6.821e+03 0.00e+00 m 0 913 919 912 0 499 8.093 1.552 120.561 3 U 1.608e+03 0.00e+00 m 0 913 895 912 0 500 8.052 3.332 122.691 3 U 4.539e+03 0.00e+00 m 0 891 871 890 0 501 8.052 3.257 122.691 3 U 2.775e+03 0.00e+00 m 0 891 872 890 0 502 8.052 1.527 122.691 3 U 1.477e+04 0.00e+00 m 0 891 899 890 0 503 8.036 3.332 122.287 3 U 4.811e+03 0.00e+00 m 0 867 871 866 0 504 8.036 3.257 122.287 3 U 5.905e+03 0.00e+00 m 0 867 872 866 0 505 8.036 1.758 122.287 3 U 3.641e+03 0.00e+00 m 0 867 848 866 0 507 8.171 1.764 121.912 3 U 6.805e+03 0.00e+00 m 0 842 848 841 0 508 8.171 0.827 121.912 3 U 2.380e+03 0.00e+00 m 0 842 804 841 0 509 8.272 2.014 125.967 3 U 4.272e+03 0.00e+00 m 0 817 803 816 0 510 8.272 1.633 125.967 3 U 8.123e+03 0.00e+00 m 0 817 822 816 0 512 8.272 1.290 125.967 3 U 3.181e+03 0.00e+00 m 0 817 827 816 0 513 8.272 0.809 125.967 3 U 4.726e+03 0.00e+00 m 0 817 805 816 0 514 8.164 2.002 121.334 3 U 4.448e+03 0.00e+00 m 0 799 803 798 0 515 8.164 1.833 121.334 3 U 2.019e+03 0.00e+00 m 0 799 777 798 0 519 8.164 0.815 121.334 3 U 3.233e+03 0.00e+00 m 0 799 805 798 0 520 8.110 1.820 117.988 3 U 1.255e+04 0.00e+00 m 0 773 778 772 0 522 8.110 1.340 117.988 3 U 4.345e+03 0.00e+00 m 0 773 756 772 0 523 7.523 1.839 118.229 3 U 1.329e+04 0.00e+00 m 0 751 755 750 0 524 7.523 1.945 118.229 3 U 4.550e+03 0.00e+00 m 0 751 733 750 0 525 7.523 1.533 118.229 3 U 7.033e+03 0.00e+00 m 0 751 759 750 0 526 7.523 1.346 118.229 3 U 4.345e+03 0.00e+00 m 0 751 756 750 0 527 8.071 4.351 123.367 1 U 1.509e+04 0.00e+00 m 0 105 101 104 0 528 8.874 3.947 125.409 1 U 8.635e+03 0.00e+00 m 0 157 148 156 0 529 8.874 5.303 125.409 1 U 3.377e+04 0.00e+00 m 0 157 146 156 0 530 7.830 2.709 120.850 1 U 3.993e+03 0.00e+00 m 0 61 65 60 0 531 8.874 4.700 125.409 1 U 4.845e+03 0.00e+00 m 0 157 0 156 0 532 8.841 5.299 116.152 1 U 4.669e+03 0.00e+00 m 0 144 146 143 0 535 8.209 1.126 108.827 1 U 4.957e+03 0.00e+00 m 0 225 0 224 0 536 8.209 4.268 108.827 1 U 1.654e+04 0.00e+00 m 0 225 228 224 0 537 8.209 3.568 108.827 1 U 2.670e+04 0.00e+00 m 0 225 227 224 0 539 8.261 3.568 118.114 1 U 4.334e+03 0.00e+00 m 0 232 227 231 0 540 8.261 4.273 118.114 1 U 5.945e+03 0.00e+00 m 0 232 228 231 0 541 8.261 4.374 118.114 1 U 1.340e+04 0.00e+00 m 0 232 234 231 0 542 8.261 3.924 118.114 1 U 1.522e+04 0.00e+00 m 0 232 237 231 0 543 8.261 3.977 118.114 1 U 9.578e+03 0.00e+00 m 0 232 236 231 0 544 8.391 3.924 122.532 1 U 9.600e+03 0.00e+00 m 0 242 237 241 0 545 8.391 3.977 122.532 1 U 7.851e+03 0.00e+00 m 0 242 236 241 0 546 8.261 2.773 118.114 1 U 2.486e+03 0.00e+00 m 0 232 198 231 0 547 8.261 3.028 118.114 1 U 5.535e+03 0.00e+00 m 0 232 197 231 0 548 8.209 3.032 108.827 1 U 2.209e+03 0.00e+00 m 0 225 197 224 0 549 8.209 2.777 108.827 1 U 1.962e+03 0.00e+00 m 0 225 198 224 0 550 8.019 3.919 116.434 1 U 1.859e+04 0.00e+00 m 0 292 296 291 0 551 8.019 1.365 116.434 1 U 2.912e+03 0.00e+00 m 0 292 0 291 0 552 9.129 5.038 123.531 1 U 4.248e+04 0.00e+00 m 0 479 456 478 0 553 9.086 1.830 124.164 1 U 3.755e+03 0.00e+00 m 0 353 332 352 0 554 7.962 4.620 110.664 1 U 1.199e+04 0.00e+00 m 0 393 395 392 0 555 7.962 4.036 110.664 1 U 1.841e+04 0.00e+00 m 0 393 501 392 0 556 7.962 3.848 110.664 1 U 1.234e+04 0.00e+00 m 0 393 399 392 0 557 7.962 3.776 110.664 1 U 5.399e+03 0.00e+00 m 0 393 355 392 0 558 8.464 4.686 120.580 1 U 1.507e+04 0.00e+00 m 0 403 0 402 0 559 8.464 3.055 120.580 1 U 7.101e+03 0.00e+00 m 0 403 409 402 0 560 8.369 4.692 119.125 1 U 2.548e+04 0.00e+00 m 0 426 481 425 0 561 8.369 3.762 119.125 1 U 8.351e+03 0.00e+00 m 0 426 0 425 0 564 9.042 6.774 123.613 1 U 6.532e+03 0.00e+00 m 0 305 312 304 0 565 9.260 1.568 118.854 1 U 5.359e+03 0.00e+00 m 0 528 0 527 0 566 9.260 1.913 118.854 1 U 7.453e+03 0.00e+00 m 0 528 533 527 0 567 9.260 2.382 118.854 1 U 3.422e+03 0.00e+00 m 0 528 310 527 0 568 9.260 5.676 118.854 1 U 1.311e+04 0.00e+00 m 0 528 530 527 0 569 9.487 5.379 120.931 1 U 1.418e+04 0.00e+00 m 0 510 512 509 0 570 9.487 5.666 120.931 1 U 2.863e+03 0.00e+00 m 0 510 0 509 0 571 9.027 1.750 124.619 1 U 2.295e+03 0.00e+00 m 0 497 0 496 0 572 9.129 1.922 123.531 1 U 5.744e+03 0.00e+00 m 0 479 458 478 0 573 8.391 4.374 122.532 1 U 4.576e+04 0.00e+00 m 0 242 234 241 0 574 8.489 4.730 122.553 1 U 8.328e+03 0.00e+00 m 0 443 445 442 0 575 7.975 4.738 119.078 1 U 1.150e+04 0.00e+00 m 0 454 445 453 0 576 7.975 3.790 119.078 1 U 2.558e+03 0.00e+00 m 0 454 0 453 0 577 8.391 4.699 122.532 1 U 2.336e+04 0.00e+00 m 0 242 0 241 0 578 8.791 5.216 114.988 1 U 4.408e+03 0.00e+00 m 0 557 548 556 0 579 8.791 3.349 114.988 1 U 4.578e+03 0.00e+00 m 0 557 550 556 0 580 8.791 2.926 114.988 1 U 2.127e+03 0.00e+00 m 0 557 551 556 0 582 8.868 2.191 125.774 1 U 7.862e+03 0.00e+00 m 0 546 537 545 0 583 8.835 4.000 125.879 1 U 1.043e+04 0.00e+00 m 0 624 615 623 0 584 8.868 5.220 125.774 1 U 1.625e+04 0.00e+00 m 0 546 548 545 0 585 8.166 2.852 108.253 1 U 5.897e+03 0.00e+00 m 0 578 0 577 0 586 8.498 3.298 123.519 1 U 4.186e+03 0.00e+00 m 0 585 599 584 0 587 8.498 2.915 123.519 1 U 6.427e+03 0.00e+00 m 0 585 0 584 0 588 8.245 5.312 115.951 1 U 1.264e+04 0.00e+00 m 0 611 613 610 0 589 8.245 2.134 115.951 1 U 2.904e+03 0.00e+00 m 0 611 0 610 0 590 8.750 5.042 128.447 1 U 1.366e+04 0.00e+00 m 0 693 456 692 0 593 8.429 4.882 121.209 1 U 4.242e+04 0.00e+00 m 0 682 661 681 0 594 8.929 5.240 123.358 1 U 7.163e+04 0.00e+00 m 0 659 648 658 0 595 8.929 4.882 123.358 1 U 1.130e+04 0.00e+00 m 0 659 661 658 0 596 8.429 2.884 121.209 1 U 2.031e+04 0.00e+00 m 0 682 686 681 0 597 8.671 1.952 114.359 1 U 2.645e+04 0.00e+00 m 0 703 707 702 0 599 8.929 1.061 123.358 1 U 1.754e+04 0.00e+00 m 0 659 651 658 0 600 8.929 1.183 123.358 1 U 3.630e+03 0.00e+00 m 0 659 0 658 0 601 8.033 1.132 115.575 1 U 1.784e+04 0.00e+00 m 0 646 630 645 0 602 8.033 1.349 115.575 1 U 3.760e+03 0.00e+00 m 0 646 0 645 0 603 8.110 8.843 117.988 1 U 2.719e+03 0.00e+00 m 0 773 144 772 0 607 8.110 4.794 117.988 1 U 9.680e+03 0.00e+00 m 0 773 753 772 0 609 7.523 4.800 118.229 1 U 4.056e+03 0.00e+00 m 0 751 0 750 0 613 8.272 4.941 125.967 1 U 3.426e+03 0.00e+00 m 0 817 0 816 0 615 8.036 4.310 122.287 1 U 9.169e+03 0.00e+00 m 0 867 844 866 0 616 8.036 4.680 122.287 1 U 1.777e+04 0.00e+00 m 0 867 869 866 0 617 10.109 4.661 129.337 1 U 7.669e+03 0.00e+00 m 0 884 0 879 0 619 8.036 1.516 122.287 1 U 3.365e+03 0.00e+00 m 0 867 0 866 0 620 8.272 1.720 125.967 1 U 5.029e+03 0.00e+00 m 0 817 821 816 0 621 9.447 9.027 129.104 1 U 3.800e+03 0.00e+00 m 0 371 497 370 0 624 8.464 5.280 120.580 1 U 3.880e+03 0.00e+00 m 0 403 405 402 0 625 8.929 9.129 123.358 1 U 2.795e+03 0.00e+00 m 0 659 479 658 0 626 9.129 8.929 123.531 1 U 1.718e+04 0.00e+00 m 0 479 659 478 0 627 9.015 5.299 116.997 1 U 2.292e+03 0.00e+00 m 0 126 330 125 0 630 8.746 4.709 124.933 1 U 7.033e+03 0.00e+00 m 0 267 182 266 0 631 8.746 8.874 124.933 1 U 1.258e+04 0.00e+00 m 0 267 157 266 0 662 8.369 3.058 119.125 1 U 1.070e+04 0.00e+00 m 0 426 409 425 0 663 8.369 3.841 119.125 1 U 4.794e+03 0.00e+00 m 0 426 432 425 0 672 8.498 8.868 123.519 1 U 1.093e+04 0.00e+00 m 0 585 546 584 0 674 8.868 8.498 125.774 1 U 1.457e+04 0.00e+00 m 0 546 585 545 0 676 8.835 9.488 125.879 1 U 9.203e+03 0.00e+00 m 0 624 510 623 0 691 9.129 4.798 123.531 1 U 3.309e+03 0.00e+00 m 0 479 684 478 0 694 8.868 5.310 125.774 1 U 3.050e+04 0.00e+00 m 0 546 613 545 0 695 8.841 8.124 116.152 1 U 4.283e+03 0.00e+00 m 0 144 773 143 0 696 8.391 1.646 122.532 1 U 1.443e+04 0.00e+00 m 0 242 247 241 0 697 8.391 1.707 122.532 1 U 1.625e+04 0.00e+00 m 0 242 246 241 0 698 7.975 3.061 119.078 1 U 2.562e+03 0.00e+00 m 0 454 0 453 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 HN 3 'not observed' 8.335 ppm . . . 4.78 . . 31018 1 2 . . H 1 H . 'not observed' 11.907 ppm . . . 4.78 . . 31018 1 3 . . N 15 N 1 'not observed' 26.11 ppm . . . 119 . . 31018 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 31018 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 1H #INAME 2 1Hz #INAME 3 13C 2001 4.614 4.614 55.152 1 U 1.676e+05 0.00e+00 m 0 22 22 21 0 2002 4.614 2.686 55.152 1 U 3.426e+03 0.00e+00 m 0 22 24 21 0 2003 4.614 2.613 55.152 1 U 4.527e+03 0.00e+00 m 0 22 25 21 0 2004 2.686 4.614 41.990 1 U 5.768e+03 0.00e+00 m 0 24 22 23 0 2005 2.686 2.686 41.990 1 U 6.654e+05 0.00e+00 m 0 24 24 23 0 2006 2.686 2.613 41.990 1 U 4.119e+05 0.00e+00 m 0 24 25 23 0 2007 2.613 4.614 41.990 1 U 5.254e+03 0.00e+00 m 0 25 22 23 0 2008 2.613 2.686 41.990 1 U 5.803e+05 0.00e+00 m 0 25 24 23 0 2009 2.613 2.613 41.990 1 U 2.916e+05 0.00e+00 m 0 25 25 23 0 2010 3.639 3.639 45.498 1 U 2.458e+05 0.00e+00 m 0 33 33 32 0 2011 3.639 3.789 45.498 1 U 1.972e+05 0.00e+00 m 0 33 34 32 0 2012 3.789 3.639 45.498 1 U 2.039e+05 0.00e+00 m 0 34 33 32 0 2013 3.789 3.789 45.498 1 U 3.255e+05 0.00e+00 m 0 34 34 32 0 2014 4.517 4.517 57.183 1 U 7.168e+05 0.00e+00 m 0 40 40 39 0 2015 4.517 2.897 57.183 1 U 9.930e+03 0.00e+00 m 0 40 42 39 0 2016 4.517 2.586 57.183 1 U 4.652e+03 0.00e+00 m 0 40 43 39 0 2017 2.897 4.517 39.546 1 U 9.646e+03 0.00e+00 m 0 42 40 41 0 2018 2.897 2.897 39.546 1 U 2.549e+05 0.00e+00 m 0 42 42 41 0 2019 2.897 2.586 39.546 1 U 8.240e+04 0.00e+00 m 0 42 43 41 0 2020 2.586 4.517 39.546 1 U 5.351e+03 0.00e+00 m 0 43 40 41 0 2021 2.586 2.897 39.546 1 U 6.554e+04 0.00e+00 m 0 43 42 41 0 2022 2.586 2.586 39.546 1 U 1.892e+05 0.00e+00 m 0 43 43 41 0 2023 4.673 4.673 53.951 1 U -6.900e+01 0.00e+00 m 0 63 63 62 0 2024 4.673 2.696 53.951 1 U 4.600e+01 0.00e+00 m 0 63 65 62 0 2025 4.673 2.503 53.951 1 U -1.330e+02 0.00e+00 m 0 63 66 62 0 2026 2.696 4.673 42.611 1 U 1.202e+04 0.00e+00 m 0 65 63 64 0 2027 2.696 2.696 42.611 1 U 6.195e+05 0.00e+00 m 0 65 65 64 0 2028 2.696 2.503 42.611 1 U 2.162e+05 0.00e+00 m 0 65 66 64 0 2029 2.503 4.673 42.611 1 U 8.385e+03 0.00e+00 m 0 66 63 64 0 2030 2.503 2.696 42.611 1 U 2.516e+05 0.00e+00 m 0 66 65 64 0 2031 2.503 2.503 42.611 1 U 6.050e+05 0.00e+00 m 0 66 66 64 0 2032 3.880 3.880 58.343 1 U 1.900e+05 0.00e+00 m 0 74 74 73 0 2033 3.880 1.848 58.343 1 U 1.718e+04 0.00e+00 m 0 74 78 73 0 2035 3.880 3.297 58.343 1 U 6.300e+02 0.00e+00 m 0 74 86 73 0 2036 1.848 3.880 30.264 1 U 1.552e+04 0.00e+00 m 0 78 74 75 0 2037 1.848 1.848 30.264 1 U 1.325e+06 0.00e+00 m 0 78 78 75 0 2038 1.848 1.831 30.264 2 U 1.325e+06 0.00e+00 m 0 78 78 75 0 2039 1.848 3.297 30.264 1 U 1.609e+04 0.00e+00 m 0 78 86 75 0 2040 1.831 3.880 27.737 1 U 4.243e+03 0.00e+00 m 0 80 74 79 0 2041 1.831 1.848 27.737 2 U 4.683e+05 0.00e+00 m 0 80 80 79 0 2042 1.831 1.831 27.737 1 U 4.683e+05 0.00e+00 m 0 80 80 79 0 2043 1.831 3.297 27.737 1 U 1.166e+04 0.00e+00 m 0 80 86 79 0 2044 3.297 3.880 44.062 1 U 4.936e+03 0.00e+00 m 0 86 74 83 0 2045 3.297 1.848 44.062 1 U 2.744e+04 0.00e+00 m 0 86 78 83 0 2046 3.297 1.831 44.062 1 U 2.744e+04 0.00e+00 m 0 86 78 83 0 2047 3.297 3.297 44.062 1 U 1.847e+06 0.00e+00 m 0 86 86 83 0 2048 3.739 3.739 45.511 1 U 4.113e+05 0.00e+00 m 0 100 100 99 0 2049 3.739 4.318 45.511 1 U 1.342e+05 0.00e+00 m 0 100 101 99 0 2050 4.318 3.739 45.511 1 U 1.122e+05 0.00e+00 m 0 101 100 99 0 2051 4.318 4.318 45.511 1 U 3.928e+05 0.00e+00 m 0 101 101 99 0 2052 4.386 4.386 52.832 1 U 5.243e+05 0.00e+00 m 0 107 107 106 0 2053 4.386 1.499 52.832 1 U 2.593e+04 0.00e+00 m 0 107 108 106 0 2054 1.499 4.386 20.072 1 U -3.350e+04 0.00e+00 m 0 108 107 109 0 2055 1.499 1.499 20.072 1 U -2.086e+06 0.00e+00 m 0 108 108 109 0 2056 5.423 5.423 54.489 1 U 1.549e+05 0.00e+00 m 0 117 117 116 0 2057 5.423 2.632 54.489 1 U 4.192e+03 0.00e+00 m 0 117 119 116 0 2058 5.423 2.493 54.489 1 U 7.782e+03 0.00e+00 m 0 117 120 116 0 2059 2.632 5.423 42.694 1 U 6.427e+03 0.00e+00 m 0 119 117 118 0 2060 2.632 2.632 42.694 1 U 3.301e+05 0.00e+00 m 0 119 119 118 0 2061 2.632 2.493 42.694 1 U 1.810e+05 0.00e+00 m 0 119 120 118 0 2062 2.493 5.423 42.694 1 U 5.833e+03 0.00e+00 m 0 120 117 118 0 2063 2.493 2.632 42.694 1 U 2.016e+05 0.00e+00 m 0 120 119 118 0 2064 2.493 2.493 42.694 1 U 2.923e+05 0.00e+00 m 0 120 120 118 0 2065 4.953 4.953 59.793 1 U 8.201e+04 0.00e+00 m 0 128 128 127 0 2066 4.953 2.042 59.793 1 U 5.977e+03 0.00e+00 m 0 128 130 127 0 2067 4.953 0.811 59.793 1 U 7.055e+03 0.00e+00 m 0 128 131 127 0 2068 4.953 0.839 59.793 1 U 7.055e+03 0.00e+00 m 0 128 132 127 0 2069 2.042 4.953 35.609 1 U 1.041e+04 0.00e+00 m 0 130 128 129 0 2070 2.042 2.042 35.609 1 U 4.872e+05 0.00e+00 m 0 130 130 129 0 2071 2.042 0.811 35.609 1 U 4.878e+04 0.00e+00 m 0 130 131 129 0 2072 2.042 0.839 35.609 1 U 4.878e+04 0.00e+00 m 0 130 132 129 0 2073 0.811 4.953 22.682 1 U 1.114e+04 0.00e+00 m 0 131 128 133 0 2074 0.811 2.042 22.682 1 U 3.350e+04 0.00e+00 m 0 131 130 133 0 2075 0.811 0.811 22.682 1 U -1.722e+06 0.00e+00 m 0 131 131 133 0 2076 0.811 0.839 22.682 1 U -1.722e+06 0.00e+00 m 0 131 132 133 0 2078 0.839 2.042 20.610 1 U -3.508e+04 0.00e+00 m 0 132 130 137 0 2079 0.839 0.811 20.610 1 U -2.781e+06 0.00e+00 m 0 132 131 137 0 2080 0.839 0.839 20.610 1 U -2.781e+06 0.00e+00 m 0 132 132 137 0 2081 5.313 5.313 61.201 1 U 4.036e+05 0.00e+00 m 0 146 146 145 0 2082 5.313 3.968 61.201 1 U 1.693e+04 0.00e+00 m 0 146 148 145 0 2083 5.313 1.110 61.201 1 U 3.190e+04 0.00e+00 m 0 146 149 145 0 2084 3.952 5.313 71.698 1 U -5.085e+03 0.00e+00 m 0 148 146 147 0 2085 3.952 3.952 71.698 1 U -4.299e+05 0.00e+00 m 0 148 148 147 0 2086 3.952 1.110 71.698 1 U -2.356e+04 0.00e+00 m 0 148 149 147 0 2087 1.110 5.313 22.019 1 U -2.886e+04 0.00e+00 m 0 149 146 151 0 2088 1.110 3.952 22.019 1 U -3.772e+04 0.00e+00 m 0 149 148 151 0 2089 1.110 1.110 22.019 1 U -1.943e+06 0.00e+00 m 0 149 149 151 0 2090 4.868 4.868 56.768 1 U 4.391e+05 0.00e+00 m 0 159 159 158 0 2091 4.868 2.736 56.768 1 U 9.032e+03 0.00e+00 m 0 159 161 158 0 2093 2.736 2.736 42.900 1 U 1.549e+05 0.00e+00 m 0 161 161 160 0 2094 4.699 4.699 61.933 1 U 2.480e+02 0.00e+00 m 0 182 182 181 0 2095 4.699 3.876 61.933 1 U 4.200e+01 0.00e+00 m 0 182 184 181 0 2096 4.699 1.118 61.933 1 U 4.033e+03 0.00e+00 m 0 182 185 181 0 2097 3.876 4.699 69.833 1 U -9.044e+03 0.00e+00 m 0 184 182 183 0 2098 3.876 3.876 69.833 1 U -2.810e+05 0.00e+00 m 0 184 184 183 0 2099 3.876 1.118 69.833 1 U -1.966e+04 0.00e+00 m 0 184 185 183 0 2100 1.118 4.699 21.356 1 U -2.661e+04 0.00e+00 m 0 185 182 187 0 2101 1.118 3.876 21.356 1 U -2.796e+04 0.00e+00 m 0 185 184 187 0 2102 1.118 1.118 21.356 1 U 1.832e+06 0.00e+00 m 0 185 185 187 0 2103 4.651 4.651 53.081 1 U -4.060e+02 0.00e+00 m 0 195 195 194 0 2104 4.651 3.032 53.081 1 U -2.570e+02 0.00e+00 m 0 195 197 194 0 2105 4.651 2.779 53.081 1 U 1.070e+02 0.00e+00 m 0 195 198 194 0 2106 3.032 4.651 42.819 1 U 1.213e+04 0.00e+00 m 0 197 195 196 0 2107 3.032 3.032 42.819 1 U -2.547e+06 0.00e+00 m 0 197 197 196 0 2108 3.032 2.779 42.819 1 U 1.291e+05 0.00e+00 m 0 197 198 196 0 2109 2.779 4.651 42.819 1 U 1.350e+04 0.00e+00 m 0 198 195 196 0 2110 2.779 3.032 42.819 1 U 1.220e+05 0.00e+00 m 0 198 197 196 0 2111 2.779 2.779 42.819 1 U 3.430e+05 0.00e+00 m 0 198 198 196 0 2112 4.207 4.207 61.284 1 U 5.766e+05 0.00e+00 m 0 206 206 205 0 2113 4.207 4.014 61.284 1 U 2.796e+04 0.00e+00 m 0 206 208 205 0 2114 4.207 3.981 61.284 1 U 4.473e+04 0.00e+00 m 0 206 209 205 0 2115 4.014 4.207 63.576 1 U 4.319e+04 0.00e+00 m 0 208 206 207 0 2116 4.014 4.014 63.576 1 U 6.366e+05 0.00e+00 m 0 208 208 207 0 2117 4.014 3.981 63.576 1 U 9.555e+05 0.00e+00 m 0 208 209 207 0 2118 3.981 4.207 63.576 1 U 7.572e+04 0.00e+00 m 0 209 206 207 0 2119 3.981 4.014 63.576 1 U 8.083e+05 0.00e+00 m 0 209 208 207 0 2120 3.981 3.981 63.576 1 U 1.210e+06 0.00e+00 m 0 209 209 207 0 2121 4.663 4.663 54.034 1 U 1.080e+02 0.00e+00 m 0 216 216 215 0 2122 4.663 2.978 54.034 1 U 4.600e+01 0.00e+00 m 0 216 218 215 0 2123 4.663 2.733 54.034 1 U -3.200e+02 0.00e+00 m 0 216 219 215 0 2124 2.978 4.663 40.871 1 U 1.900e+04 0.00e+00 m 0 218 216 217 0 2125 2.978 2.978 40.871 1 U 2.683e+05 0.00e+00 m 0 218 218 217 0 2126 2.978 2.733 40.871 1 U 1.954e+05 0.00e+00 m 0 218 219 217 0 2127 2.733 4.663 40.871 1 U 2.156e+04 0.00e+00 m 0 219 216 217 0 2128 2.733 2.978 40.871 1 U 2.026e+05 0.00e+00 m 0 219 218 217 0 2129 2.733 2.733 40.871 1 U 4.756e+05 0.00e+00 m 0 219 219 217 0 2130 3.556 3.556 45.540 1 U 2.996e+05 0.00e+00 m 0 227 227 226 0 2131 3.556 4.278 45.540 1 U 1.376e+05 0.00e+00 m 0 227 228 226 0 2132 4.278 3.556 45.540 1 U 1.496e+05 0.00e+00 m 0 228 227 226 0 2133 4.318 4.318 45.540 1 U 3.928e+05 0.00e+00 m 0 101 101 99 0 2134 4.370 4.370 59.192 1 U 5.454e+05 0.00e+00 m 0 234 234 233 0 2135 4.370 3.970 59.192 1 U 1.700e+04 0.00e+00 m 0 234 236 233 0 2136 4.370 3.912 59.192 1 U 1.736e+04 0.00e+00 m 0 234 237 233 0 2137 3.970 4.370 64.115 1 U -2.516e+04 0.00e+00 m 0 236 234 235 0 2138 3.970 3.970 64.115 1 U -3.800e+05 0.00e+00 m 0 236 236 235 0 2139 3.970 3.912 64.115 1 U -4.763e+05 0.00e+00 m 0 236 237 235 0 2140 3.912 4.370 64.115 1 U -2.654e+04 0.00e+00 m 0 237 234 235 0 2141 3.912 3.970 64.115 1 U -4.083e+05 0.00e+00 m 0 237 236 235 0 2142 3.912 3.912 64.115 1 U -5.250e+05 0.00e+00 m 0 237 237 235 0 2143 4.944 4.944 56.050 1 U 1.933e+05 0.00e+00 m 0 244 244 243 0 2144 4.944 1.699 56.050 1 U 9.146e+03 0.00e+00 m 0 244 246 243 0 2145 4.944 1.602 56.050 1 U 7.771e+03 0.00e+00 m 0 244 256 243 0 2146 4.944 1.407 56.050 1 U 4.567e+03 0.00e+00 m 0 244 250 243 0 2147 1.699 4.944 34.160 1 U 1.009e+04 0.00e+00 m 0 246 244 245 0 2148 1.699 1.699 34.160 1 U 3.980e+05 0.00e+00 m 0 246 246 245 0 2149 1.699 1.602 34.160 1 U 3.098e+05 0.00e+00 m 0 246 256 245 0 2150 1.699 1.407 34.160 1 U 5.654e+04 0.00e+00 m 0 246 250 245 0 2151 1.602 4.944 29.643 1 U 3.353e+03 0.00e+00 m 0 256 244 253 0 2153 1.602 1.602 29.643 1 U 2.315e+06 0.00e+00 m 0 256 256 253 0 2154 1.602 1.407 29.643 1 U 1.243e+05 0.00e+00 m 0 256 250 253 0 2155 1.407 4.944 25.251 1 U 3.446e+03 0.00e+00 m 0 250 244 249 0 2157 1.407 1.602 25.251 1 U 1.090e+05 0.00e+00 m 0 250 256 249 0 2158 1.407 1.407 25.251 1 U 5.461e+05 0.00e+00 m 0 250 250 249 0 2159 4.547 4.547 55.194 1 U 4.299e+05 0.00e+00 m 0 269 269 268 0 2160 4.547 1.602 55.194 1 U 1.582e+04 0.00e+00 m 0 269 271 268 0 2161 4.547 1.462 55.194 1 U 6.066e+03 0.00e+00 m 0 269 275 268 0 2162 4.547 1.757 55.194 1 U 6.869e+03 0.00e+00 m 0 269 279 268 0 2163 4.547 3.032 55.194 1 U 3.480e+02 0.00e+00 m 0 269 285 268 0 2164 1.602 4.547 36.065 1 U 1.168e+04 0.00e+00 m 0 271 269 270 0 2165 1.602 1.602 36.065 1 U 3.050e+05 0.00e+00 m 0 271 271 270 0 2166 1.602 1.462 36.065 1 U 7.208e+04 0.00e+00 m 0 271 275 270 0 2167 1.602 1.757 36.065 1 U 1.120e+04 0.00e+00 m 0 271 279 270 0 2168 1.602 3.032 36.065 1 U 2.403e+03 0.00e+00 m 0 271 285 270 0 2169 1.462 4.547 25.482 1 U 4.997e+03 0.00e+00 m 0 275 269 274 0 2170 1.462 1.602 25.482 1 U 7.672e+04 0.00e+00 m 0 275 271 274 0 2171 1.462 1.462 25.482 1 U 6.520e+05 0.00e+00 m 0 275 275 274 0 2172 1.462 1.757 25.482 1 U 2.542e+04 0.00e+00 m 0 275 279 274 0 2173 1.462 3.022 25.482 1 U 6.620e+03 0.00e+00 m 0 275 285 274 0 2174 1.757 4.547 29.229 1 U 3.474e+03 0.00e+00 m 0 279 269 278 0 2175 1.757 1.602 29.229 1 U 2.193e+05 0.00e+00 m 0 279 271 278 0 2176 1.757 1.462 29.229 2 U 8.741e+04 0.00e+00 m 0 341 338 339 0 2177 1.757 1.757 29.229 1 U 9.177e+05 0.00e+00 m 0 279 279 278 0 2178 1.757 3.032 29.229 1 U 1.734e+04 0.00e+00 m 0 279 285 278 0 2179 3.032 4.547 42.902 1 U 1.994e+03 0.00e+00 m 0 285 269 282 0 2180 3.032 1.602 42.902 1 U 2.968e+03 0.00e+00 m 0 285 271 282 0 2181 3.032 1.462 42.902 1 U 5.616e+03 0.00e+00 m 0 285 275 282 0 2182 3.032 1.757 42.902 1 U 8.748e+03 0.00e+00 m 0 285 279 282 0 2183 3.032 3.032 42.902 1 U -2.547e+06 0.00e+00 m 0 197 197 196 0 2184 5.086 5.086 61.674 1 U 2.400e+05 0.00e+00 m 0 294 294 293 0 2185 5.086 3.919 61.674 1 U 5.953e+03 0.00e+00 m 0 294 296 293 0 2186 5.086 1.159 61.674 1 U 1.763e+04 0.00e+00 m 0 294 297 293 0 2187 3.919 5.086 70.870 1 U -6.186e+03 0.00e+00 m 0 296 294 295 0 2188 3.919 3.919 70.870 1 U -3.419e+05 0.00e+00 m 0 296 296 295 0 2189 3.919 1.159 70.870 1 U -2.333e+04 0.00e+00 m 0 296 297 295 0 2190 1.159 5.086 21.936 1 U -1.909e+04 0.00e+00 m 0 297 294 299 0 2191 1.159 3.919 21.936 1 U -3.113e+04 0.00e+00 m 0 297 296 299 0 2192 1.159 1.159 21.936 1 U -2.297e+05 0.00e+00 m 0 297 297 299 0 2193 5.091 5.091 56.147 1 U 4.006e+05 0.00e+00 m 0 307 307 306 0 2194 5.091 3.008 56.147 1 U 2.076e+04 0.00e+00 m 0 307 309 306 0 2195 5.091 2.372 56.147 1 U 6.829e+03 0.00e+00 m 0 307 310 306 0 2196 3.008 5.091 43.523 1 U 1.252e+04 0.00e+00 m 0 309 307 308 0 2197 3.008 3.008 43.523 1 U 2.432e+05 0.00e+00 m 0 309 309 308 0 2198 3.008 2.372 43.523 1 U 7.717e+04 0.00e+00 m 0 309 310 308 0 2199 2.372 5.091 43.523 1 U 5.600e+03 0.00e+00 m 0 310 307 308 0 2200 2.372 3.008 43.523 1 U 7.262e+04 0.00e+00 m 0 310 309 308 0 2201 2.372 2.372 43.523 1 U 1.462e+05 0.00e+00 m 0 310 310 308 0 2202 5.299 5.299 54.845 1 U 2.021e+05 0.00e+00 m 0 330 330 329 0 2203 5.299 1.830 54.845 1 U 7.692e+03 0.00e+00 m 0 330 332 329 0 2204 5.299 1.711 54.845 1 U 1.036e+04 0.00e+00 m 0 330 333 329 0 2205 5.299 1.452 54.845 1 U 5.825e+03 0.00e+00 m 0 330 338 329 0 2206 5.299 1.717 54.845 2 U 1.036e+04 0.00e+00 m 0 330 333 329 0 2208 1.830 5.299 35.468 1 U 1.001e+04 0.00e+00 m 0 332 330 331 0 2209 1.830 1.830 35.468 1 U 3.548e+05 0.00e+00 m 0 332 332 331 0 2210 1.830 1.711 35.468 1 U 2.847e+05 0.00e+00 m 0 332 333 331 0 2211 1.830 1.452 35.468 1 U 5.245e+04 0.00e+00 m 0 332 338 331 0 2212 1.830 1.717 35.468 1 U 2.847e+05 0.00e+00 m 0 332 333 331 0 2213 1.830 3.027 35.468 1 U 3.613e+03 0.00e+00 m 0 332 346 331 0 2214 1.711 5.299 35.468 1 U 9.487e+03 0.00e+00 m 0 333 330 331 0 2215 1.711 1.830 35.468 1 U 2.229e+05 0.00e+00 m 0 333 332 331 0 2216 1.711 1.711 35.468 1 U 3.702e+05 0.00e+00 m 0 333 333 331 0 2217 1.711 1.452 35.468 1 U 5.174e+04 0.00e+00 m 0 333 338 331 0 2218 1.711 1.717 35.468 2 U 3.702e+05 0.00e+00 m 0 333 333 331 0 2219 1.711 3.027 35.468 1 U 3.406e+03 0.00e+00 m 0 333 346 331 0 2220 1.717 5.299 29.311 1 U 1.829e+03 0.00e+00 m 0 340 330 339 0 2221 1.717 1.830 29.311 1 U 1.992e+04 0.00e+00 m 0 340 332 339 0 2222 1.717 1.711 29.311 2 U 1.372e+06 0.00e+00 m 0 280 280 278 0 2223 1.717 1.452 29.311 1 U 1.063e+05 0.00e+00 m 0 280 275 278 0 2224 1.717 1.717 29.311 1 U 1.372e+06 0.00e+00 m 0 280 280 278 0 2225 1.717 3.027 29.311 1 U 1.861e+04 0.00e+00 m 0 280 285 278 0 2226 1.452 5.299 24.837 1 U 8.396e+03 0.00e+00 m 0 338 330 335 0 2227 1.452 1.830 24.837 1 U 3.595e+04 0.00e+00 m 0 338 332 335 0 2228 1.452 1.711 24.837 1 U 1.692e+05 0.00e+00 m 0 338 333 335 0 2229 1.452 1.452 24.837 1 U 1.905e+06 0.00e+00 m 0 338 338 335 0 2230 1.452 1.717 24.837 1 U 1.692e+05 0.00e+00 m 0 338 333 335 0 2231 1.452 3.027 24.837 1 U 1.321e+04 0.00e+00 m 0 338 346 335 0 2232 3.027 5.299 42.239 1 U 2.147e+03 0.00e+00 m 0 346 330 343 0 2233 3.027 1.830 42.239 1 U 3.999e+03 0.00e+00 m 0 346 332 343 0 2234 3.027 1.711 42.239 2 U 1.659e+04 0.00e+00 m 0 346 340 343 0 2235 3.027 1.452 42.239 1 U 1.046e+04 0.00e+00 m 0 346 338 343 0 2237 3.027 3.027 42.239 1 U -2.613e+06 0.00e+00 m 0 346 346 343 0 2238 3.768 3.768 65.502 1 U -2.480e+05 0.00e+00 m 0 355 355 354 0 2239 3.768 2.345 65.502 1 U -5.069e+03 0.00e+00 m 0 355 357 354 0 2240 3.768 0.961 65.502 1 U -1.372e+04 0.00e+00 m 0 355 358 354 0 2241 3.768 0.727 65.502 1 U -3.486e+04 0.00e+00 m 0 355 359 354 0 2242 2.345 3.768 32.668 1 U 4.391e+03 0.00e+00 m 0 357 355 356 0 2243 2.345 2.345 32.668 1 U 1.622e+05 0.00e+00 m 0 357 357 356 0 2244 2.345 0.961 32.668 1 U 1.866e+04 0.00e+00 m 0 357 358 356 0 2245 2.345 0.727 32.668 1 U 2.214e+04 0.00e+00 m 0 357 359 356 0 2246 0.961 3.768 23.759 1 U 1.875e+04 0.00e+00 m 0 358 355 360 0 2247 0.961 2.345 23.759 1 U 2.872e+04 0.00e+00 m 0 358 357 360 0 2248 0.961 0.961 23.759 1 U 2.097e+06 0.00e+00 m 0 358 358 360 0 2249 0.961 0.727 23.759 1 U 9.680e+04 0.00e+00 m 0 358 359 360 0 2250 0.727 3.768 21.688 1 U -3.204e+04 0.00e+00 m 0 359 355 364 0 2251 0.727 2.345 21.688 1 U -3.966e+04 0.00e+00 m 0 359 357 364 0 2252 0.727 0.961 21.688 1 U -8.008e+04 0.00e+00 m 0 359 358 364 0 2253 0.727 0.727 21.688 1 U 1.850e+06 0.00e+00 m 0 359 359 364 0 2254 4.640 4.640 56.478 1 U -1.534e+04 0.00e+00 m 0 373 373 372 0 2255 4.640 1.511 56.478 1 U 1.207e+03 0.00e+00 m 0 373 377 372 0 2257 4.640 1.574 56.478 1 U 1.273e+03 0.00e+00 m 0 373 379 372 0 2258 4.640 0.867 56.478 1 U 1.670e+02 0.00e+00 m 0 373 380 372 0 2259 4.640 0.826 56.478 1 U 9.200e+02 0.00e+00 m 0 373 381 372 0 2266 1.511 4.640 44.020 1 U 2.375e+04 0.00e+00 m 0 377 373 374 0 2268 1.511 1.511 44.020 1 U 7.795e+05 0.00e+00 m 0 377 377 374 0 2269 1.511 1.574 44.020 1 U 2.738e+05 0.00e+00 m 0 377 379 374 0 2270 1.511 0.867 44.020 1 U 2.945e+04 0.00e+00 m 0 377 380 374 0 2271 1.511 0.826 44.020 1 U 2.413e+04 0.00e+00 m 0 377 381 374 0 2272 1.574 4.640 27.074 1 U 4.989e+03 0.00e+00 m 0 379 373 378 0 2273 1.574 1.511 27.074 1 U 2.800e+05 0.00e+00 m 0 379 377 378 0 2275 1.574 1.574 27.074 1 U 5.097e+05 0.00e+00 m 0 379 379 378 0 2276 1.574 0.867 27.074 1 U -2.307e+04 0.00e+00 m 0 379 380 378 0 2277 1.574 0.826 27.074 1 U -6.773e+03 0.00e+00 m 0 379 381 378 0 2278 0.867 4.640 25.748 1 U 4.487e+03 0.00e+00 m 0 380 373 382 0 2279 0.867 1.511 25.748 1 U 1.411e+04 0.00e+00 m 0 380 377 382 0 2281 0.867 1.574 25.748 1 U -3.991e+04 0.00e+00 m 0 380 379 382 0 2282 0.867 0.867 25.748 1 U -1.792e+06 0.00e+00 m 0 380 380 382 0 2283 0.867 0.826 25.748 1 U 2.216e+06 0.00e+00 m 0 380 381 382 0 2284 0.826 4.640 23.179 1 U 4.056e+04 0.00e+00 m 0 381 373 386 0 2285 0.826 1.511 23.179 1 U 3.368e+04 0.00e+00 m 0 381 377 386 0 2287 0.826 1.574 23.179 1 U 3.159e+04 0.00e+00 m 0 381 379 386 0 2288 0.826 0.867 23.179 1 U 1.559e+06 0.00e+00 m 0 381 380 386 0 2289 0.826 0.826 23.179 1 U -6.341e+05 0.00e+00 m 0 381 381 386 0 2290 4.601 4.601 58.136 1 U 3.149e+05 0.00e+00 m 0 395 395 394 0 2291 4.601 3.851 58.136 1 U 3.222e+04 0.00e+00 m 0 395 399 394 0 2292 3.851 4.601 65.110 1 U -2.840e+04 0.00e+00 m 0 399 395 396 0 2293 3.851 3.851 65.110 1 U -1.095e+06 0.00e+00 m 0 399 399 396 0 2294 5.280 5.280 56.975 1 U 2.792e+05 0.00e+00 m 0 405 405 404 0 2295 5.280 3.051 56.975 1 U 2.490e+04 0.00e+00 m 0 405 409 404 0 2296 3.051 5.280 41.659 1 U 2.105e+04 0.00e+00 m 0 409 405 406 0 2297 3.051 3.051 41.659 1 U 8.042e+05 0.00e+00 m 0 409 409 406 0 2298 4.612 4.612 57.431 1 U 3.731e+04 0.00e+00 m 0 428 428 427 0 2299 4.612 3.846 57.431 1 U 4.160e+02 0.00e+00 m 0 428 432 427 0 2300 3.846 4.612 64.696 1 U -4.679e+04 0.00e+00 m 0 432 428 429 0 2301 3.846 3.846 64.696 1 U -1.701e+06 0.00e+00 m 0 432 432 429 0 2302 3.662 3.662 47.736 1 U 4.473e+05 0.00e+00 m 0 438 438 437 0 2303 3.662 4.068 47.736 1 U 1.643e+05 0.00e+00 m 0 438 439 437 0 2304 4.068 3.662 47.736 1 U 1.992e+05 0.00e+00 m 0 439 438 437 0 2305 4.068 4.068 47.736 1 U 4.432e+05 0.00e+00 m 0 439 439 437 0 2306 4.767 4.767 54.655 1 U 2.005e+05 0.00e+00 m 0 445 445 444 0 2307 4.767 2.881 54.655 1 U 9.805e+03 0.00e+00 m 0 445 449 444 0 2308 2.881 4.767 41.451 1 U 2.800e+04 0.00e+00 m 0 449 445 446 0 2309 2.881 2.881 41.451 1 U 1.438e+06 0.00e+00 m 0 449 449 446 0 2310 5.040 5.040 55.199 1 U 3.368e+05 0.00e+00 m 0 456 456 455 0 2311 5.040 1.924 55.199 1 U 1.060e+04 0.00e+00 m 0 456 458 455 0 2312 5.040 1.559 55.199 1 U 2.185e+04 0.00e+00 m 0 456 459 455 0 2313 5.040 1.459 55.199 1 U 1.316e+04 0.00e+00 m 0 456 464 455 0 2314 5.040 1.459 55.199 1 U 1.316e+04 0.00e+00 m 0 456 464 455 0 2315 5.040 2.978 55.199 1 U 5.830e+02 0.00e+00 m 0 456 472 455 0 2316 1.924 5.040 35.402 1 U 8.089e+03 0.00e+00 m 0 458 456 457 0 2317 1.924 1.924 35.402 1 U 3.152e+05 0.00e+00 m 0 458 458 457 0 2318 1.924 1.559 35.402 1 U 1.218e+05 0.00e+00 m 0 458 459 457 0 2319 1.924 1.459 35.402 1 U 3.940e+04 0.00e+00 m 0 458 464 457 0 2320 1.924 1.459 35.402 1 U 3.940e+04 0.00e+00 m 0 458 464 457 0 2321 1.924 2.978 35.402 1 U 9.620e+02 0.00e+00 m 0 458 472 457 0 2322 1.559 5.040 35.402 1 U 1.073e+04 0.00e+00 m 0 459 456 457 0 2323 1.559 1.924 35.402 1 U 1.066e+05 0.00e+00 m 0 459 458 457 0 2324 1.559 1.559 35.402 1 U 3.265e+05 0.00e+00 m 0 459 459 457 0 2325 1.559 1.459 35.402 1 U 7.572e+04 0.00e+00 m 0 459 464 457 0 2326 1.559 1.459 35.402 1 U 7.572e+04 0.00e+00 m 0 459 464 457 0 2327 1.559 2.978 35.402 1 U 1.610e+03 0.00e+00 m 0 459 472 457 0 2328 1.631 5.040 29.063 1 U 4.539e+03 0.00e+00 m 0 466 456 465 0 2329 1.631 1.924 29.063 1 U 7.442e+03 0.00e+00 m 0 466 458 465 0 2330 1.631 1.559 29.063 1 U 1.705e+05 0.00e+00 m 0 466 459 465 0 2331 1.631 1.631 29.063 1 U 7.075e+05 0.00e+00 m 0 466 466 465 0 2332 1.631 1.459 29.063 1 U 2.781e+05 0.00e+00 m 0 466 464 465 0 2333 1.631 2.978 29.063 1 U 1.827e+04 0.00e+00 m 0 466 472 465 0 2334 1.459 5.040 24.919 1 U 8.055e+03 0.00e+00 m 0 464 456 461 0 2335 1.459 1.924 24.919 1 U 2.070e+04 0.00e+00 m 0 464 458 461 0 2336 1.459 1.559 24.919 1 U 1.156e+05 0.00e+00 m 0 464 459 461 0 2338 1.459 1.459 24.919 1 U 1.612e+06 0.00e+00 m 0 338 338 335 0 2339 1.459 2.978 24.919 1 U 1.105e+04 0.00e+00 m 0 464 472 461 0 2340 2.978 5.040 42.736 1 U 2.795e+03 0.00e+00 m 0 472 456 469 0 2341 2.978 1.924 42.736 1 U -2.340e+02 0.00e+00 m 0 472 458 469 0 2342 2.978 1.559 42.736 1 U 3.253e+03 0.00e+00 m 0 472 459 469 0 2344 2.978 1.457 42.736 1 U 2.217e+04 0.00e+00 m 0 472 464 469 0 2345 2.978 2.978 42.736 1 U -2.966e+06 0.00e+00 m 0 472 472 469 0 2346 4.673 4.673 60.917 1 U 3.220e+02 0.00e+00 m 0 481 481 480 0 2347 4.673 1.760 60.917 1 U 7.700e+01 0.00e+00 m 0 481 483 480 0 2348 4.673 0.735 60.917 1 U 1.280e+02 0.00e+00 m 0 481 359 480 0 2349 4.673 0.486 60.917 1 U 3.090e+02 0.00e+00 m 0 481 485 480 0 2350 1.760 4.673 34.781 1 U 6.990e+03 0.00e+00 m 0 483 481 482 0 2351 1.760 1.760 34.781 1 U 3.671e+05 0.00e+00 m 0 483 483 482 0 2352 1.760 0.735 34.781 1 U 2.359e+04 0.00e+00 m 0 483 484 482 0 2353 1.760 0.486 34.781 1 U 2.024e+04 0.00e+00 m 0 483 485 482 0 2354 0.735 4.673 22.268 1 U -1.534e+04 0.00e+00 m 0 484 481 486 0 2355 0.735 1.760 22.268 1 U -2.262e+04 0.00e+00 m 0 484 483 486 0 2356 0.735 0.735 22.268 1 U 2.001e+06 0.00e+00 m 0 484 484 486 0 2357 0.735 0.486 22.268 1 U -6.717e+04 0.00e+00 m 0 484 485 486 0 2358 0.486 4.673 21.688 1 U -1.330e+04 0.00e+00 m 0 485 481 490 0 2359 0.486 1.760 21.688 1 U -2.548e+04 0.00e+00 m 0 485 483 490 0 2360 0.486 0.735 21.688 1 U -7.335e+04 0.00e+00 m 0 485 484 490 0 2361 0.486 0.486 21.688 1 U -1.738e+06 0.00e+00 m 0 485 485 490 0 2362 5.191 5.191 62.610 1 U 3.275e+05 0.00e+00 m 0 499 499 498 0 2363 5.191 4.032 62.610 1 U 5.190e+03 0.00e+00 m 0 499 501 498 0 2364 5.191 1.164 62.610 1 U 1.591e+04 0.00e+00 m 0 499 502 498 0 2365 4.032 5.191 69.710 1 U -6.540e+03 0.00e+00 m 0 501 499 500 0 2366 4.032 4.032 69.710 1 U -4.324e+05 0.00e+00 m 0 501 501 500 0 2367 4.032 1.164 69.710 1 U -3.681e+04 0.00e+00 m 0 501 502 500 0 2368 1.164 5.191 22.102 1 U -3.245e+04 0.00e+00 m 0 502 499 504 0 2369 1.164 4.032 22.102 1 U -6.026e+04 0.00e+00 m 0 502 501 504 0 2370 1.164 1.164 22.102 1 U -6.904e+05 0.00e+00 m 0 297 297 299 0 2371 5.378 5.378 58.550 1 U 3.018e+05 0.00e+00 m 0 512 512 511 0 2372 5.378 2.106 58.550 1 U 1.872e+04 0.00e+00 m 0 512 514 511 0 2373 5.378 0.716 58.550 1 U 1.691e+04 0.00e+00 m 0 512 515 511 0 2374 5.378 0.430 58.550 1 U 3.040e+03 0.00e+00 m 0 512 516 511 0 2375 2.106 5.378 35.941 1 U 2.034e+04 0.00e+00 m 0 514 512 513 0 2376 2.106 2.106 35.941 1 U 2.578e+05 0.00e+00 m 0 514 514 513 0 2377 2.106 0.716 35.941 1 U 2.294e+04 0.00e+00 m 0 514 515 513 0 2378 2.106 0.430 35.941 1 U 2.060e+04 0.00e+00 m 0 514 516 513 0 2379 0.716 5.378 22.185 1 U -3.027e+04 0.00e+00 m 0 515 512 517 0 2380 0.716 2.106 22.185 1 U -4.094e+04 0.00e+00 m 0 515 514 517 0 2381 0.716 0.716 22.185 1 U 2.141e+06 0.00e+00 m 0 484 484 486 0 2382 0.716 0.430 22.185 1 U -1.031e+05 0.00e+00 m 0 515 516 517 0 2383 0.430 5.373 20.196 1 U -5.262e+03 0.00e+00 m 0 516 512 521 0 2384 0.430 2.106 20.196 1 U -2.468e+04 0.00e+00 m 0 516 514 521 0 2385 0.430 0.716 20.196 1 U -5.045e+04 0.00e+00 m 0 516 515 521 0 2386 0.430 0.430 20.196 1 U -1.126e+06 0.00e+00 m 0 516 516 521 0 2387 5.674 5.674 54.200 1 U 4.077e+05 0.00e+00 m 0 530 530 529 0 2388 5.674 2.083 54.200 1 U 1.141e+04 0.00e+00 m 0 530 532 529 0 2390 5.674 2.611 54.200 1 U 4.016e+03 0.00e+00 m 0 530 536 529 0 2392 2.083 5.674 34.076 1 U 7.203e+03 0.00e+00 m 0 532 530 531 0 2393 2.083 2.083 34.076 1 U 7.024e+05 0.00e+00 m 0 532 532 531 0 2394 2.083 1.912 34.076 1 U 1.103e+05 0.00e+00 m 0 532 533 531 0 2395 2.083 2.611 34.076 1 U 1.025e+04 0.00e+00 m 0 532 536 531 0 2396 2.083 2.199 34.076 1 U 5.872e+04 0.00e+00 m 0 532 537 531 0 2397 1.912 5.674 34.076 1 U 1.059e+04 0.00e+00 m 0 533 530 531 0 2398 1.912 2.083 34.076 1 U 1.296e+05 0.00e+00 m 0 533 532 531 0 2399 1.912 1.912 34.076 1 U 2.854e+05 0.00e+00 m 0 533 533 531 0 2400 1.912 2.611 34.076 1 U 1.522e+04 0.00e+00 m 0 533 536 531 0 2401 1.912 2.199 34.076 1 U 3.649e+04 0.00e+00 m 0 533 537 531 0 2402 2.611 5.674 34.820 1 U 3.410e+03 0.00e+00 m 0 536 530 535 0 2403 2.611 2.083 34.820 1 U 2.757e+04 0.00e+00 m 0 536 532 535 0 2404 2.611 1.912 34.820 1 U 5.929e+03 0.00e+00 m 0 536 533 535 0 2405 2.611 2.611 34.820 1 U 3.851e+05 0.00e+00 m 0 536 536 535 0 2406 2.611 2.199 34.820 1 U 7.063e+04 0.00e+00 m 0 536 537 535 0 2407 2.199 5.674 34.820 1 U 6.668e+03 0.00e+00 m 0 537 530 535 0 2408 2.199 2.083 34.820 1 U 7.853e+04 0.00e+00 m 0 537 532 535 0 2409 2.199 1.912 34.820 1 U 1.768e+04 0.00e+00 m 0 537 533 535 0 2410 2.199 2.611 34.820 1 U 8.535e+04 0.00e+00 m 0 537 536 535 0 2411 2.199 2.199 34.820 1 U 2.712e+05 0.00e+00 m 0 537 537 535 0 2412 5.218 5.218 52.791 1 U 3.069e+05 0.00e+00 m 0 548 548 547 0 2413 5.218 3.344 52.791 1 U 1.900e+04 0.00e+00 m 0 548 550 547 0 2414 5.218 2.924 52.791 1 U 1.498e+04 0.00e+00 m 0 548 551 547 0 2415 3.344 5.218 42.950 1 U 1.541e+04 0.00e+00 m 0 550 548 549 0 2416 3.344 3.344 42.950 1 U 1.534e+05 0.00e+00 m 0 550 550 549 0 2417 3.344 2.924 42.950 1 U 1.044e+05 0.00e+00 m 0 550 551 549 0 2418 2.924 5.218 42.950 1 U 1.223e+04 0.00e+00 m 0 551 548 549 0 2419 2.924 3.344 42.950 1 U 9.731e+04 0.00e+00 m 0 551 550 549 0 2420 2.924 2.924 42.950 1 U 7.044e+05 0.00e+00 m 0 551 551 549 0 2421 4.255 4.255 61.450 1 U 6.962e+05 0.00e+00 m 0 559 559 558 0 2422 4.255 4.080 61.450 1 U 2.945e+04 0.00e+00 m 0 559 561 558 0 2423 4.255 3.997 61.450 1 U 4.705e+04 0.00e+00 m 0 559 562 558 0 2424 4.080 4.255 63.535 1 U 2.854e+04 0.00e+00 m 0 561 559 560 0 2425 4.080 4.080 63.535 1 U 3.522e+05 0.00e+00 m 0 561 561 560 0 2426 4.080 3.997 63.535 1 U 2.731e+05 0.00e+00 m 0 561 562 560 0 2427 3.997 4.255 63.535 1 U 3.922e+04 0.00e+00 m 0 562 559 560 0 2428 3.997 4.080 63.535 1 U 2.952e+05 0.00e+00 m 0 562 561 560 0 2429 3.997 3.997 63.535 1 U 1.306e+06 0.00e+00 m 0 208 208 207 0 2430 4.847 4.847 54.655 1 U 3.718e+05 0.00e+00 m 0 569 569 568 0 2431 4.847 2.823 54.655 1 U 1.597e+04 0.00e+00 m 0 569 573 568 0 2432 2.823 4.847 41.866 1 U 1.813e+04 0.00e+00 m 0 573 569 570 0 2433 2.823 2.823 41.866 1 U 7.805e+05 0.00e+00 m 0 573 573 570 0 2435 3.596 4.353 45.581 1 U 1.905e+05 0.00e+00 m 0 580 581 579 0 2436 4.353 3.596 45.581 1 U 1.838e+05 0.00e+00 m 0 581 580 579 0 2437 4.353 4.353 45.581 1 U 5.606e+05 0.00e+00 m 0 581 581 579 0 2438 4.363 4.363 57.141 1 U 7.363e+05 0.00e+00 m 0 587 587 586 0 2439 4.363 2.009 57.141 1 U 8.680e+03 0.00e+00 m 0 587 589 586 0 2440 4.363 1.851 57.141 1 U 2.384e+04 0.00e+00 m 0 587 590 586 0 2441 4.363 1.737 57.141 1 U 1.168e+04 0.00e+00 m 0 587 593 586 0 2442 4.363 1.624 57.141 1 U 1.488e+04 0.00e+00 m 0 587 594 586 0 2443 4.363 3.282 57.141 1 U 2.212e+03 0.00e+00 m 0 587 599 586 0 2444 2.009 4.363 30.844 1 U 8.691e+03 0.00e+00 m 0 589 587 588 0 2445 2.009 2.009 30.844 1 U 2.767e+05 0.00e+00 m 0 589 589 588 0 2446 2.009 1.851 30.844 1 U 1.738e+05 0.00e+00 m 0 589 590 588 0 2447 2.009 1.737 30.844 1 U 4.287e+04 0.00e+00 m 0 589 593 588 0 2448 2.009 1.624 30.844 1 U 2.349e+04 0.00e+00 m 0 589 594 588 0 2449 2.009 3.282 30.844 1 U 9.646e+03 0.00e+00 m 0 589 599 588 0 2450 1.851 4.363 30.844 1 U 1.266e+04 0.00e+00 m 0 590 587 588 0 2451 1.851 2.009 30.844 1 U 1.467e+05 0.00e+00 m 0 590 589 588 0 2452 1.851 1.851 30.844 1 U 4.381e+05 0.00e+00 m 0 590 590 588 0 2453 1.851 1.737 30.844 1 U 7.572e+04 0.00e+00 m 0 590 593 588 0 2454 1.851 1.624 30.844 1 U 4.782e+04 0.00e+00 m 0 590 594 588 0 2455 1.851 3.282 30.844 1 U 1.084e+04 0.00e+00 m 0 590 599 588 0 2456 1.737 4.363 28.400 1 U 9.032e+03 0.00e+00 m 0 593 587 592 0 2457 1.737 2.009 28.400 1 U 2.021e+04 0.00e+00 m 0 593 589 592 0 2458 1.737 1.851 28.400 1 U 7.154e+04 0.00e+00 m 0 593 590 592 0 2459 1.737 1.737 28.400 1 U 3.342e+05 0.00e+00 m 0 593 593 592 0 2460 1.737 1.624 28.400 1 U 2.512e+05 0.00e+00 m 0 593 594 592 0 2461 1.737 3.282 28.400 1 U 2.230e+04 0.00e+00 m 0 593 599 592 0 2462 1.624 4.363 28.400 1 U 1.040e+04 0.00e+00 m 0 594 587 592 0 2463 1.624 2.009 28.400 1 U 1.920e+04 0.00e+00 m 0 594 589 592 0 2464 1.624 1.851 28.400 1 U 1.057e+05 0.00e+00 m 0 594 590 592 0 2465 1.624 1.737 28.400 1 U 2.429e+05 0.00e+00 m 0 594 593 592 0 2466 1.624 1.624 28.400 1 U 3.512e+05 0.00e+00 m 0 594 594 592 0 2467 1.624 3.282 28.400 1 U 2.381e+04 0.00e+00 m 0 594 599 592 0 2468 3.282 4.363 43.896 1 U 5.214e+03 0.00e+00 m 0 599 587 596 0 2469 3.282 2.009 43.896 1 U 1.115e+04 0.00e+00 m 0 599 589 596 0 2470 3.282 1.851 43.896 1 U 3.822e+04 0.00e+00 m 0 86 78 83 0 2471 3.282 1.737 43.896 1 U 4.602e+04 0.00e+00 m 0 599 593 596 0 2472 3.282 1.624 43.896 1 U 3.472e+04 0.00e+00 m 0 86 81 83 0 2474 5.311 5.311 61.508 1 U 4.031e+05 0.00e+00 m 0 613 613 612 0 2475 5.311 4.002 61.508 1 U 1.223e+04 0.00e+00 m 0 613 615 612 0 2476 5.311 1.110 61.508 1 U 2.346e+04 0.00e+00 m 0 613 616 612 0 2477 4.002 5.311 70.786 1 U -1.534e+04 0.00e+00 m 0 615 613 614 0 2478 4.002 4.002 70.786 1 U -6.952e+05 0.00e+00 m 0 615 615 614 0 2479 4.002 1.110 70.786 1 U -3.527e+04 0.00e+00 m 0 615 616 614 0 2481 1.110 4.002 22.268 1 U -5.315e+04 0.00e+00 m 0 616 615 618 0 2482 1.110 1.110 22.268 1 U -1.943e+06 0.00e+00 m 0 149 149 151 0 2483 4.617 4.617 54.655 1 U 1.187e+05 0.00e+00 m 0 626 626 625 0 2484 4.617 1.133 54.655 1 U 4.113e+03 0.00e+00 m 0 626 630 625 0 2485 4.617 1.375 54.655 1 U -4.440e+02 0.00e+00 m 0 626 632 625 0 2486 4.617 0.737 54.655 1 U -6.320e+02 0.00e+00 m 0 626 633 625 0 2487 4.617 0.790 54.655 1 U 1.976e+03 0.00e+00 m 0 626 634 625 0 2488 1.133 4.617 46.258 1 U 1.011e+04 0.00e+00 m 0 630 626 627 0 2489 1.133 1.133 46.258 1 U 4.083e+05 0.00e+00 m 0 630 630 627 0 2490 1.133 1.375 46.258 1 U 4.139e+04 0.00e+00 m 0 630 632 627 0 2491 1.133 0.737 46.258 1 U 1.337e+04 0.00e+00 m 0 630 633 627 0 2492 1.133 0.790 46.258 1 U 1.375e+04 0.00e+00 m 0 630 634 627 0 2493 1.375 4.617 27.737 1 U 5.069e+03 0.00e+00 m 0 632 626 631 0 2494 1.375 1.133 27.737 1 U 5.981e+04 0.00e+00 m 0 632 630 631 0 2495 1.375 1.375 27.737 1 U 4.468e+05 0.00e+00 m 0 632 632 631 0 2496 1.375 0.737 27.737 1 U -4.216e+04 0.00e+00 m 0 632 633 631 0 2497 1.375 0.790 27.737 1 U -2.147e+04 0.00e+00 m 0 632 634 631 0 2498 0.737 4.617 26.315 1 U 1.231e+03 0.00e+00 m 0 633 626 635 0 2499 0.737 1.133 26.315 1 U 1.215e+04 0.00e+00 m 0 633 630 635 0 2500 0.737 1.375 26.315 1 U -5.135e+04 0.00e+00 m 0 633 632 635 0 2501 0.737 0.737 26.315 1 U -2.962e+06 0.00e+00 m 0 633 633 635 0 2502 0.737 0.790 26.315 1 U 1.206e+06 0.00e+00 m 0 633 634 635 0 2503 0.790 4.617 25.000 1 U 1.136e+04 0.00e+00 m 0 634 626 639 0 2504 0.790 1.133 25.000 1 U 2.417e+04 0.00e+00 m 0 634 630 639 0 2505 0.790 1.375 25.000 1 U 8.930e+03 0.00e+00 m 0 634 632 639 0 2506 0.790 0.737 25.000 1 U 6.839e+05 0.00e+00 m 0 634 633 639 0 2507 0.790 0.790 25.000 1 U -1.792e+06 0.00e+00 m 0 634 634 639 0 2508 5.244 5.244 61.697 1 U 3.471e+05 0.00e+00 m 0 648 648 647 0 2509 5.244 3.718 61.697 1 U 7.657e+03 0.00e+00 m 0 648 650 647 0 2510 5.244 1.067 61.697 1 U 1.925e+04 0.00e+00 m 0 648 651 647 0 2511 3.718 5.244 71.325 1 U -8.669e+03 0.00e+00 m 0 650 648 649 0 2512 3.718 3.718 71.325 1 U -4.501e+05 0.00e+00 m 0 650 650 649 0 2513 3.718 1.067 71.325 1 U -2.426e+04 0.00e+00 m 0 650 651 649 0 2514 1.067 5.244 22.102 1 U -2.490e+04 0.00e+00 m 0 651 648 653 0 2515 1.067 3.718 22.102 1 U -3.109e+04 0.00e+00 m 0 651 650 653 0 2516 1.067 1.067 22.102 1 U 2.395e+06 0.00e+00 m 0 651 651 653 0 2517 4.883 4.883 56.354 1 U 5.403e+05 0.00e+00 m 0 661 661 660 0 2518 4.883 3.078 56.354 1 U 1.570e+04 0.00e+00 m 0 661 663 660 0 2519 4.883 2.483 56.354 1 U 6.058e+03 0.00e+00 m 0 661 664 660 0 2520 3.078 4.883 44.227 1 U 1.500e+04 0.00e+00 m 0 663 661 662 0 2521 3.078 3.078 44.227 1 U 2.952e+05 0.00e+00 m 0 663 663 662 0 2522 3.078 2.483 44.227 1 U 9.757e+04 0.00e+00 m 0 663 664 662 0 2523 2.483 4.883 44.227 1 U 5.519e+03 0.00e+00 m 0 664 661 662 0 2524 2.483 3.078 44.227 1 U 8.317e+04 0.00e+00 m 0 664 663 662 0 2525 2.483 2.483 44.227 1 U 1.627e+05 0.00e+00 m 0 664 664 662 0 2526 4.805 4.805 55.341 1 U 1.645e+05 0.00e+00 m 0 684 684 683 0 2527 4.805 2.878 55.341 1 U 4.618e+03 0.00e+00 m 0 684 686 683 0 2528 4.805 2.650 55.341 1 U 5.568e+03 0.00e+00 m 0 684 687 683 0 2529 2.878 4.805 42.114 1 U 1.504e+04 0.00e+00 m 0 686 684 685 0 2530 2.878 2.878 42.114 1 U 1.078e+06 0.00e+00 m 0 686 686 685 0 2531 2.878 2.650 42.114 1 U 1.792e+05 0.00e+00 m 0 686 687 685 0 2532 2.650 4.805 42.114 1 U 1.786e+04 0.00e+00 m 0 687 684 685 0 2533 2.650 2.878 42.114 1 U 2.070e+05 0.00e+00 m 0 687 686 685 0 2534 2.650 2.650 42.114 1 U 8.340e+05 0.00e+00 m 0 687 687 685 0 2535 3.795 3.795 55.567 1 U 3.178e+05 0.00e+00 m 0 695 695 694 0 2536 3.795 1.360 55.567 1 U 1.977e+04 0.00e+00 m 0 695 696 694 0 2537 1.360 3.795 19.284 1 U -3.131e+04 0.00e+00 m 0 696 695 697 0 2538 1.360 1.360 19.284 1 U -2.059e+06 0.00e+00 m 0 696 696 697 0 2539 4.228 4.228 58.426 1 U 6.633e+05 0.00e+00 m 0 705 705 704 0 2540 4.228 1.969 58.426 1 U 1.906e+04 0.00e+00 m 0 705 707 704 0 2541 4.228 1.723 58.426 1 U 1.459e+04 0.00e+00 m 0 705 713 704 0 2542 4.228 3.286 58.426 1 U 1.752e+03 0.00e+00 m 0 705 717 704 0 2543 1.969 4.228 29.974 1 U 1.738e+04 0.00e+00 m 0 707 705 706 0 2544 1.969 1.969 29.974 1 U 3.145e+05 0.00e+00 m 0 707 707 706 0 2545 1.969 1.723 29.974 1 U 8.407e+04 0.00e+00 m 0 707 713 706 0 2546 1.969 3.286 29.974 1 U 1.258e+04 0.00e+00 m 0 707 717 706 0 2547 1.723 4.228 27.654 1 U 8.521e+03 0.00e+00 m 0 713 705 710 0 2548 1.723 1.969 27.654 1 U 7.081e+04 0.00e+00 m 0 713 707 710 0 2549 1.723 1.723 27.654 1 U 8.844e+05 0.00e+00 m 0 713 713 710 0 2550 1.723 3.286 27.654 1 U 2.532e+04 0.00e+00 m 0 713 717 710 0 2551 3.286 4.228 43.813 1 U 5.278e+03 0.00e+00 m 0 717 705 714 0 2552 3.286 1.969 43.813 1 U 1.975e+04 0.00e+00 m 0 717 707 714 0 2553 3.286 1.737 43.813 1 U 4.602e+04 0.00e+00 m 0 599 593 596 0 2554 3.286 3.286 43.813 1 U -2.013e+06 0.00e+00 m 0 86 86 83 0 2555 4.386 4.386 55.774 1 U 2.978e+05 0.00e+00 m 0 731 731 730 0 2556 4.386 1.944 55.774 1 U 7.589e+03 0.00e+00 m 0 731 733 730 0 2557 4.386 1.799 55.774 1 U 1.274e+04 0.00e+00 m 0 731 734 730 0 2558 4.386 1.729 55.774 1 U 8.419e+03 0.00e+00 m 0 731 0 730 0 2559 4.386 1.189 55.774 1 U 2.087e+03 0.00e+00 m 0 731 738 730 0 2560 4.386 0.963 55.774 1 U 2.044e+04 0.00e+00 m 0 731 739 730 0 2561 1.944 4.386 42.650 1 U 6.114e+03 0.00e+00 m 0 733 731 732 0 2562 1.944 1.944 42.650 1 U 2.170e+05 0.00e+00 m 0 733 733 732 0 2563 1.944 1.799 42.650 1 U 1.358e+05 0.00e+00 m 0 733 734 732 0 2564 1.944 1.729 42.650 1 U 4.608e+04 0.00e+00 m 0 733 737 732 0 2565 1.944 1.189 42.650 1 U 1.411e+04 0.00e+00 m 0 733 738 732 0 2566 1.944 0.963 42.650 1 U 7.044e+03 0.00e+00 m 0 733 739 732 0 2567 1.799 4.386 42.650 1 U 9.271e+03 0.00e+00 m 0 734 731 732 0 2568 1.799 1.944 42.650 1 U 1.293e+05 0.00e+00 m 0 734 733 732 0 2569 1.799 1.799 42.650 1 U 1.956e+05 0.00e+00 m 0 734 734 732 0 2570 1.799 1.729 42.650 1 U 6.126e+04 0.00e+00 m 0 734 737 732 0 2571 1.799 1.189 42.650 1 U 1.302e+04 0.00e+00 m 0 734 738 732 0 2572 1.799 0.963 42.650 1 U 9.430e+03 0.00e+00 m 0 734 739 732 0 2573 1.729 4.386 27.737 1 U 5.206e+03 0.00e+00 m 0 713 731 710 0 2575 1.729 1.799 27.737 1 U 2.178e+05 0.00e+00 m 0 737 734 736 0 2576 1.729 1.729 27.737 1 U 8.844e+05 0.00e+00 m 0 713 713 710 0 2577 1.729 1.189 27.737 1 U -1.854e+04 0.00e+00 m 0 737 738 736 0 2578 1.729 0.963 27.737 1 U 1.319e+04 0.00e+00 m 0 737 739 736 0 2579 1.189 4.386 26.080 1 U 1.528e+03 0.00e+00 m 0 738 731 740 0 2580 1.189 1.944 26.080 1 U 1.234e+04 0.00e+00 m 0 738 733 740 0 2581 1.189 1.799 26.080 1 U 5.857e+03 0.00e+00 m 0 738 734 740 0 2582 1.189 1.729 26.080 1 U -7.953e+03 0.00e+00 m 0 738 737 740 0 2583 1.189 1.189 26.080 1 U 1.559e+06 0.00e+00 m 0 738 738 740 0 2584 1.189 0.963 26.080 1 U 5.225e+04 0.00e+00 m 0 738 739 740 0 2585 0.963 4.386 22.800 1 U 2.686e+04 0.00e+00 m 0 739 731 744 0 2586 0.963 1.944 22.800 1 U 1.043e+04 0.00e+00 m 0 739 733 744 0 2587 0.963 1.799 22.800 1 U 2.121e+04 0.00e+00 m 0 739 734 744 0 2588 0.963 1.729 22.800 1 U 2.738e+04 0.00e+00 m 0 739 737 744 0 2589 0.963 1.189 22.800 1 U 4.377e+04 0.00e+00 m 0 739 738 744 0 2590 0.963 0.963 22.800 1 U -2.929e+06 0.00e+00 m 0 739 739 744 0 2591 4.806 4.806 54.738 1 U 1.035e+05 0.00e+00 m 0 753 753 752 0 2592 4.806 1.834 54.738 1 U 4.209e+03 0.00e+00 m 0 753 755 752 0 2593 4.806 1.337 54.738 1 U 6.420e+02 0.00e+00 m 0 753 756 752 0 2594 4.806 1.517 54.738 1 U 4.652e+03 0.00e+00 m 0 753 759 752 0 2595 4.806 0.468 54.738 1 U 3.749e+03 0.00e+00 m 0 753 760 752 0 2596 4.806 0.644 54.738 1 U 1.333e+03 0.00e+00 m 0 753 761 752 0 2597 1.834 4.806 44.725 1 U 3.269e+03 0.00e+00 m 0 755 753 754 0 2598 1.834 1.834 44.725 1 U 1.784e+05 0.00e+00 m 0 755 755 754 0 2599 1.834 1.337 44.725 1 U 6.626e+04 0.00e+00 m 0 755 756 754 0 2600 1.834 1.517 44.725 1 U 2.028e+04 0.00e+00 m 0 755 759 754 0 2601 1.834 0.468 44.725 1 U 4.957e+03 0.00e+00 m 0 755 760 754 0 2602 1.834 0.644 44.725 1 U 1.125e+04 0.00e+00 m 0 755 761 754 0 2603 1.337 4.806 44.725 1 U 3.522e+03 0.00e+00 m 0 756 753 754 0 2604 1.337 1.834 44.725 1 U 5.495e+04 0.00e+00 m 0 756 755 754 0 2605 1.337 1.337 44.725 1 U 1.303e+05 0.00e+00 m 0 756 756 754 0 2606 1.337 1.517 44.725 1 U 2.959e+04 0.00e+00 m 0 756 759 754 0 2607 1.337 0.468 44.725 1 U 7.873e+03 0.00e+00 m 0 756 760 754 0 2608 1.337 0.644 44.725 1 U 8.646e+03 0.00e+00 m 0 756 761 754 0 2609 1.517 4.806 26.743 1 U 1.484e+03 0.00e+00 m 0 759 753 758 0 2610 1.517 1.834 26.743 1 U 1.338e+04 0.00e+00 m 0 759 755 758 0 2611 1.517 1.337 26.743 1 U 2.818e+04 0.00e+00 m 0 759 756 758 0 2612 1.517 1.517 26.743 1 U 3.069e+05 0.00e+00 m 0 759 759 758 0 2613 1.517 0.468 26.743 1 U 8.282e+03 0.00e+00 m 0 759 760 758 0 2614 1.517 0.644 26.743 1 U 2.275e+04 0.00e+00 m 0 759 761 758 0 2615 0.468 4.806 23.100 1 U 1.477e+04 0.00e+00 m 0 760 753 762 0 2617 0.468 1.337 23.100 1 U 1.218e+04 0.00e+00 m 0 760 756 762 0 2618 0.468 1.517 23.100 1 U 1.945e+04 0.00e+00 m 0 760 759 762 0 2619 0.468 0.468 23.100 1 U 1.917e+06 0.00e+00 m 0 760 760 762 0 2620 0.468 0.644 23.100 1 U 4.962e+04 0.00e+00 m 0 760 761 762 0 2621 0.644 4.806 26.000 1 U 1.500e+03 0.00e+00 m 0 761 753 766 0 2622 0.644 1.834 26.000 1 U 1.192e+04 0.00e+00 m 0 761 755 766 0 2623 0.644 1.337 26.000 1 U 1.056e+04 0.00e+00 m 0 761 756 766 0 2624 0.644 1.517 26.000 1 U 5.214e+03 0.00e+00 m 0 761 759 766 0 2625 0.644 0.468 26.000 1 U 3.949e+04 0.00e+00 m 0 761 485 766 0 2626 0.644 0.644 26.000 1 U 1.290e+06 0.00e+00 m 0 761 761 766 0 2627 4.636 4.636 55.484 1 U -1.541e+04 0.00e+00 m 0 775 775 774 0 2628 4.636 1.834 55.484 1 U 8.010e+02 0.00e+00 m 0 775 0 774 0 2629 4.636 1.664 55.484 1 U 2.540e+02 0.00e+00 m 0 775 781 774 0 2630 4.636 3.241 55.484 1 U -1.760e+02 0.00e+00 m 0 775 785 774 0 2631 1.834 4.636 32.046 1 U 7.123e+03 0.00e+00 m 0 777 775 776 0 2632 1.834 1.834 32.046 1 U 2.556e+05 0.00e+00 m 0 777 777 776 0 2633 1.834 1.664 32.046 1 U 6.181e+04 0.00e+00 m 0 777 781 776 0 2634 1.834 3.241 32.046 1 U 3.361e+03 0.00e+00 m 0 777 785 776 0 2635 1.664 4.636 27.488 1 U 4.107e+03 0.00e+00 m 0 781 775 780 0 2636 1.664 1.834 27.488 1 U 1.815e+05 0.00e+00 m 0 781 777 780 0 2637 1.664 1.664 27.488 1 U 8.124e+05 0.00e+00 m 0 781 781 780 0 2638 1.664 3.241 27.488 1 U 9.794e+03 0.00e+00 m 0 781 785 780 0 2639 3.241 4.636 43.896 1 U 3.948e+03 0.00e+00 m 0 785 775 784 0 2640 3.241 1.834 43.896 1 U 9.691e+03 0.00e+00 m 0 785 777 784 0 2641 3.241 1.664 43.896 1 U 1.913e+04 0.00e+00 m 0 785 781 784 0 2642 3.241 3.241 43.896 1 U 1.320e+06 0.00e+00 m 0 785 785 784 0 2643 4.124 4.124 63.375 1 U 3.072e+05 0.00e+00 m 0 801 801 800 0 2644 4.124 2.003 63.375 1 U 7.373e+03 0.00e+00 m 0 801 803 800 0 2645 4.124 0.828 63.375 1 U 1.171e+04 0.00e+00 m 0 801 804 800 0 2646 4.124 0.790 63.375 1 U 1.036e+04 0.00e+00 m 0 801 805 800 0 2647 2.003 4.124 32.709 1 U 7.998e+03 0.00e+00 m 0 803 801 802 0 2648 2.003 2.003 32.709 1 U 4.879e+05 0.00e+00 m 0 803 803 802 0 2649 2.003 0.828 32.709 1 U 2.927e+04 0.00e+00 m 0 803 804 802 0 2650 2.003 0.790 32.709 1 U 2.487e+04 0.00e+00 m 0 803 805 802 0 2651 0.828 4.124 21.770 1 U -8.146e+03 0.00e+00 m 0 804 801 806 0 2652 0.828 2.003 21.770 1 U -1.586e+04 0.00e+00 m 0 804 803 806 0 2653 0.828 0.828 21.770 1 U -2.097e+06 0.00e+00 m 0 804 804 806 0 2654 0.828 0.790 21.770 1 U -7.651e+05 0.00e+00 m 0 804 805 806 0 2655 0.790 4.124 21.439 1 U -1.351e+04 0.00e+00 m 0 805 801 810 0 2656 0.790 2.003 21.439 1 U -3.195e+04 0.00e+00 m 0 805 803 810 0 2657 0.790 0.828 21.439 1 U -1.987e+06 0.00e+00 m 0 805 804 810 0 2658 0.790 0.790 21.439 1 U -2.941e+06 0.00e+00 m 0 805 805 810 0 2659 4.165 4.165 57.721 1 U 5.148e+05 0.00e+00 m 0 819 819 818 0 2660 4.165 1.708 57.721 1 U 9.884e+03 0.00e+00 m 0 819 821 818 0 2661 4.165 1.282 57.721 1 U 7.805e+03 0.00e+00 m 0 819 827 818 0 2662 4.165 1.578 57.721 1 U 8.146e+03 0.00e+00 m 0 819 831 818 0 2663 1.708 4.165 33.127 1 U 9.680e+03 0.00e+00 m 0 821 819 820 0 2664 1.708 1.708 33.127 1 U 4.448e+05 0.00e+00 m 0 821 821 820 0 2667 1.282 4.165 25.500 1 U 4.973e+03 0.00e+00 m 0 827 819 824 0 2668 1.282 1.699 25.500 3 U 1.197e+04 0.00e+00 m 0 827 821 824 0 2669 1.282 1.282 25.500 1 U 5.548e+05 0.00e+00 m 0 827 827 824 0 2670 1.282 1.578 25.500 1 U 6.281e+04 0.00e+00 m 0 827 831 824 0 2671 1.578 4.165 29.525 1 U 4.010e+03 0.00e+00 m 0 831 819 828 0 2672 1.578 1.708 29.525 1 U 8.368e+04 0.00e+00 m 0 831 821 828 0 2673 1.578 1.282 29.525 1 U 1.096e+05 0.00e+00 m 0 831 827 828 0 2674 1.578 1.578 29.525 1 U 2.147e+06 0.00e+00 m 0 831 831 828 0 2675 4.304 4.304 57.042 1 U 6.174e+05 0.00e+00 m 0 844 844 843 0 2676 4.304 1.758 57.042 1 U 1.811e+04 0.00e+00 m 0 844 848 843 0 2677 4.304 1.389 57.042 1 U 6.500e+03 0.00e+00 m 0 844 850 843 0 2678 4.304 1.658 57.042 1 U 6.066e+03 0.00e+00 m 0 844 856 843 0 2679 1.758 4.304 33.248 1 U 1.650e+04 0.00e+00 m 0 848 844 845 0 2680 1.758 1.758 33.248 1 U 1.333e+06 0.00e+00 m 0 848 848 845 0 2681 1.758 1.389 33.248 1 U 3.918e+04 0.00e+00 m 0 848 850 845 0 2682 1.758 1.658 33.248 1 U 1.440e+05 0.00e+00 m 0 848 856 845 0 2683 1.389 4.304 25.002 1 U 4.857e+03 0.00e+00 m 0 850 844 849 0 2684 1.389 1.758 25.002 1 U 3.445e+04 0.00e+00 m 0 850 848 849 0 2685 1.389 1.389 25.002 1 U 1.185e+06 0.00e+00 m 0 250 250 249 0 2686 1.389 1.658 25.002 1 U 1.088e+05 0.00e+00 m 0 850 856 849 0 2687 1.658 4.304 29.560 1 U 3.382e+03 0.00e+00 m 0 856 844 853 0 2688 1.658 1.758 29.560 1 U 3.116e+05 0.00e+00 m 0 856 848 853 0 2689 1.658 1.389 29.560 1 U 1.032e+05 0.00e+00 m 0 856 850 853 0 2690 1.658 1.658 29.560 1 U 2.616e+06 0.00e+00 m 0 856 856 853 0 2691 4.651 4.651 58.105 1 U -3.272e+04 0.00e+00 m 0 869 869 868 0 2692 4.651 3.315 58.105 1 U -4.600e+01 0.00e+00 m 0 869 871 868 0 2693 3.315 4.651 29.809 1 U 1.736e+04 0.00e+00 m 0 871 869 870 0 2694 3.315 3.315 29.809 1 U 2.607e+05 0.00e+00 m 0 871 871 870 0 2695 4.230 4.230 55.774 1 U 4.836e+05 0.00e+00 m 0 893 893 892 0 2696 4.230 1.550 55.774 1 U 4.851e+03 0.00e+00 m 0 893 895 892 0 2697 4.230 1.502 55.774 1 U 9.407e+03 0.00e+00 m 0 893 899 892 0 2698 4.230 0.838 55.774 1 U 1.017e+04 0.00e+00 m 0 893 900 892 0 2699 4.230 0.794 55.774 1 U 1.369e+04 0.00e+00 m 0 893 901 892 0 2700 1.550 4.230 42.694 1 U 7.771e+03 0.00e+00 m 0 895 893 894 0 2701 1.550 1.550 42.694 1 U 2.665e+05 0.00e+00 m 0 895 895 894 0 2702 1.550 1.502 42.694 1 U 4.185e+05 0.00e+00 m 0 895 899 894 0 2703 1.550 0.838 42.694 1 U 1.459e+04 0.00e+00 m 0 895 900 894 0 2704 1.550 0.794 42.694 1 U 8.544e+03 0.00e+00 m 0 895 901 894 0 2705 1.502 4.230 27.157 1 U 3.386e+03 0.00e+00 m 0 899 893 898 0 2706 1.502 1.550 27.157 1 U 1.160e+05 0.00e+00 m 0 899 895 898 0 2707 1.502 1.502 27.157 1 U 3.949e+05 0.00e+00 m 0 899 899 898 0 2708 1.502 0.838 27.157 1 U -2.793e+04 0.00e+00 m 0 899 900 898 0 2709 1.502 0.794 27.157 1 U 9.550e+02 0.00e+00 m 0 899 901 898 0 2710 0.838 4.230 25.085 1 U 2.016e+03 0.00e+00 m 0 900 893 902 0 2711 0.838 1.550 25.085 1 U 5.238e+03 0.00e+00 m 0 900 895 902 0 2712 0.838 1.502 25.085 1 U -7.612e+03 0.00e+00 m 0 900 899 902 0 2713 0.838 0.838 25.085 1 U 2.260e+06 0.00e+00 m 0 900 900 902 0 2714 0.838 0.794 25.085 1 U 4.165e+05 0.00e+00 m 0 900 901 902 0 2715 0.794 4.230 23.800 1 U 1.992e+04 0.00e+00 m 0 901 893 906 0 2716 0.794 1.483 23.800 3 U 2.913e+04 0.00e+00 m 0 901 896 906 0 2717 0.794 1.502 23.800 1 U 1.668e+04 0.00e+00 m 0 901 899 906 0 2718 0.794 0.838 23.800 1 U 2.388e+06 0.00e+00 m 0 901 900 906 0 2719 0.794 0.794 23.800 1 U -1.832e+06 0.00e+00 m 0 901 901 906 0 2720 4.587 4.587 56.404 1 U 3.021e+05 0.00e+00 m 0 998 998 997 0 2721 4.587 3.045 56.404 1 U 7.271e+03 0.00e+00 m 0 998 1002 997 0 2722 3.045 4.587 30.803 1 U 1.290e+04 0.00e+00 m 0 1002 998 999 0 2723 3.045 3.045 30.803 1 U 1.584e+06 0.00e+00 m 0 1002 1002 999 0 2762 4.868 2.642 56.768 1 U 1.854e+04 0.00e+00 m 0 159 162 158 0 2764 2.642 2.642 42.900 1 U 3.301e+05 0.00e+00 m 0 119 119 118 0 2765 2.642 4.868 42.900 1 U 3.738e+03 0.00e+00 m 0 162 159 160 0 2790 1.407 1.350 25.251 1 U 6.798e+05 0.00e+00 m 0 250 251 249 0 2791 4.944 1.350 56.050 1 U 5.503e+03 0.00e+00 m 0 244 251 243 0 2792 1.350 1.350 25.251 1 U 9.380e+05 0.00e+00 m 0 251 251 249 0 2799 2.943 4.944 42.514 1 U 1.124e+03 0.00e+00 m 0 260 244 257 0 2800 2.943 2.943 42.514 1 U 9.126e+05 0.00e+00 m 0 260 260 257 0 2802 4.944 2.943 56.050 1 U 4.970e+02 0.00e+00 m 0 244 260 243 0 2803 4.547 1.562 55.194 1 U 2.246e+04 0.00e+00 m 0 269 272 268 0 2804 4.547 1.363 55.194 1 U 8.021e+03 0.00e+00 m 0 269 276 268 0 2805 4.547 1.363 55.194 1 U 8.021e+03 0.00e+00 m 0 269 276 268 0 2806 1.562 4.547 36.065 1 U 1.136e+04 0.00e+00 m 0 272 269 270 0 2807 1.363 4.547 25.482 1 U 5.817e+03 0.00e+00 m 0 276 269 274 0 2808 1.699 4.547 29.229 1 U 3.533e+03 0.00e+00 m 0 280 269 278 0 2810 1.562 1.562 36.065 1 U 4.988e+05 0.00e+00 m 0 272 272 270 0 2812 1.699 1.699 29.229 1 U 1.639e+06 0.00e+00 m 0 280 280 278 0 2814 1.363 1.363 25.482 1 U 9.090e+05 0.00e+00 m 0 276 276 274 0 2817 4.547 1.699 55.194 1 U 4.152e+03 0.00e+00 m 0 269 280 268 0 2830 1.738 5.299 29.311 1 U 1.957e+03 0.00e+00 m 0 341 330 339 0 2832 1.738 1.738 29.311 1 U 9.875e+05 0.00e+00 m 0 279 279 278 0 2833 5.299 1.738 54.845 1 U 6.347e+03 0.00e+00 m 0 330 341 329 0 2856 5.040 1.479 55.199 1 U 1.316e+04 0.00e+00 m 0 456 467 455 0 2861 1.479 5.040 29.063 1 U 3.145e+03 0.00e+00 m 0 467 456 465 0 2863 1.479 1.479 29.063 1 U 4.304e+05 0.00e+00 m 0 467 467 465 0 2864 5.040 1.631 55.199 1 U 1.318e+04 0.00e+00 m 0 456 466 455 0 2887 5.674 2.199 54.200 1 U 8.680e+03 0.00e+00 m 0 530 537 529 0 2888 5.674 1.912 54.200 1 U 1.316e+04 0.00e+00 m 0 530 533 529 0 2921 4.228 1.916 58.426 1 U 3.281e+04 0.00e+00 m 0 705 708 704 0 2925 1.916 4.228 29.974 1 U 1.600e+04 0.00e+00 m 0 708 705 706 0 2927 1.916 1.916 29.974 1 U 4.567e+05 0.00e+00 m 0 708 708 706 0 2945 4.636 3.166 55.484 1 U -9.740e+02 0.00e+00 m 0 775 786 774 0 2946 4.636 1.795 55.484 1 U 1.066e+03 0.00e+00 m 0 775 778 774 0 2947 4.636 1.616 55.484 1 U 2.670e+02 0.00e+00 m 0 775 782 774 0 2948 1.795 4.636 32.046 1 U 5.985e+03 0.00e+00 m 0 778 775 776 0 2949 1.616 4.636 27.488 1 U 4.408e+03 0.00e+00 m 0 782 775 780 0 2952 3.166 3.166 43.896 1 U 3.712e+05 0.00e+00 m 0 786 786 784 0 2954 1.616 1.616 27.488 1 U 6.623e+05 0.00e+00 m 0 81 81 79 0 2956 1.795 1.795 32.046 1 U 2.709e+05 0.00e+00 m 0 778 778 776 0 2961 4.651 3.230 58.105 1 U -5.440e+02 0.00e+00 m 0 869 872 868 0 2963 3.230 4.651 29.809 1 U 1.445e+04 0.00e+00 m 0 872 869 870 0 2965 3.230 3.230 29.809 1 U 2.578e+05 0.00e+00 m 0 872 872 870 0 2971 1.471 4.230 42.694 1 U 7.703e+03 0.00e+00 m 0 896 893 894 0 2973 1.471 1.471 42.694 1 U 4.134e+05 0.00e+00 m 0 896 896 894 0 2974 4.230 1.471 55.774 1 U 1.329e+04 0.00e+00 m 0 893 896 892 0 2975 1.634 3.880 27.737 1 U 3.715e+03 0.00e+00 m 0 81 74 79 0 2977 1.634 1.634 27.737 1 U 8.566e+05 0.00e+00 m 0 81 81 79 0 2980 4.165 2.832 57.721 1 U -3.800e+01 0.00e+00 m 0 819 835 818 0 2984 4.165 1.620 57.721 1 U 1.152e+04 0.00e+00 m 0 819 822 818 0 2985 1.620 4.165 33.127 1 U 9.316e+03 0.00e+00 m 0 822 819 820 0 2987 1.620 1.620 33.127 1 U 2.796e+05 0.00e+00 m 0 822 822 820 0 2988 2.832 4.165 42.191 1 U 1.472e+03 0.00e+00 m 0 835 819 832 0 2990 2.832 2.832 42.191 1 U 2.600e+06 0.00e+00 m 0 835 835 832 0 2992 4.304 1.336 57.042 1 U 6.660e+03 0.00e+00 m 0 844 851 843 0 2996 1.336 4.304 25.002 1 U 5.150e+03 0.00e+00 m 0 851 844 849 0 2998 1.336 1.336 25.002 1 U 1.155e+06 0.00e+00 m 0 251 251 249 0 2999 2.952 2.952 42.514 1 U 9.126e+05 0.00e+00 m 0 260 260 257 0 3001 4.304 2.952 57.042 1 U 2.580e+02 0.00e+00 m 0 844 860 843 0 3002 4.138 4.138 57.405 1 U 8.885e+05 0.00e+00 m 0 915 915 914 0 3003 4.138 1.924 57.405 1 U 1.595e+04 0.00e+00 m 0 915 919 914 0 3004 4.138 2.244 57.405 1 U 3.430e+03 0.00e+00 m 0 915 921 914 0 3005 4.138 2.168 57.405 1 U 6.524e+03 0.00e+00 m 0 915 922 914 0 3007 1.924 1.924 30.537 1 U 9.715e+05 0.00e+00 m 0 919 919 916 0 3008 2.244 2.244 36.688 1 U 2.578e+05 0.00e+00 m 0 921 921 920 0 3009 2.168 2.244 36.688 1 U 4.042e+05 0.00e+00 m 0 922 921 920 0 3010 2.168 2.168 36.688 1 U 3.280e+05 0.00e+00 m 0 922 922 920 0 3015 1.924 4.138 30.537 1 U 1.425e+04 0.00e+00 m 0 919 915 916 0 3016 2.244 4.138 36.688 1 U 4.499e+03 0.00e+00 m 0 921 915 920 0 3017 2.168 4.138 36.688 1 U 3.704e+03 0.00e+00 m 0 922 915 920 0 3018 2.056 2.056 34.098 1 U 5.643e+05 0.00e+00 m 0 8 8 5 0 3019 2.558 2.558 31.509 1 U 2.184e+06 0.00e+00 m 0 12 12 9 0 3020 3.980 3.980 55.786 1 U 7.908e+05 0.00e+00 m 0 4 4 3 0 3022 3.980 2.056 55.786 1 U 6.098e+03 0.00e+00 m 0 4 8 3 0 3023 3.980 2.558 55.786 1 U 8.290e+02 0.00e+00 m 0 4 12 3 0 3025 2.558 3.980 31.509 1 U 7.640e+02 0.00e+00 m 0 12 4 9 0 3027 2.056 3.980 34.098 1 U 1.843e+03 0.00e+00 m 0 8 4 5 0 3030 2.042 2.042 17.266 1 U -2.875e+06 0.00e+00 m 0 13 13 14 0 3051 2.897 7.103 39.546 3 U 1.445e+03 0.00e+00 m 0 42 46 41 0 3054 2.586 7.611 39.546 3 U 1.564e+03 0.00e+00 m 0 43 38 41 0 3056 2.503 7.841 42.611 3 U 2.045e+03 0.00e+00 m 0 66 61 64 0 3057 2.586 0.725 39.546 3 U 2.875e+03 0.00e+00 m 0 43 359 41 0 3058 2.586 0.970 39.546 3 U 1.431e+03 0.00e+00 m 0 43 358 41 0 3059 2.897 0.732 39.546 3 U 7.419e+03 0.00e+00 m 0 42 359 41 0 3060 2.897 0.970 39.546 3 U 3.522e+03 0.00e+00 m 0 42 358 41 0 3061 4.517 0.964 57.183 3 U 4.550e+03 0.00e+00 m 0 40 358 39 0 3063 4.517 1.515 57.183 3 U 2.526e+03 0.00e+00 m 0 40 108 39 0 3064 2.503 1.515 42.611 3 U 4.493e+03 0.00e+00 m 0 66 108 64 0 3076 3.880 1.643 58.343 3 U 2.787e+03 0.00e+00 m 0 74 81 73 0 3077 3.880 0.730 58.343 3 U 8.521e+03 0.00e+00 m 0 74 359 73 0 3078 3.880 2.350 58.343 3 U 3.004e+03 0.00e+00 m 0 74 357 73 0 3079 1.848 1.643 30.264 3 U 1.131e+05 0.00e+00 m 0 78 81 75 0 3080 1.848 0.730 30.264 3 U 2.198e+03 0.00e+00 m 0 78 0 75 0 3081 3.880 9.027 58.343 3 U 5.680e+03 0.00e+00 m 0 74 98 73 0 3082 3.880 8.449 58.343 3 U 1.112e+03 0.00e+00 m 0 74 72 73 0 3084 1.848 9.034 30.264 3 U 1.315e+03 0.00e+00 m 0 78 98 75 0 3085 1.831 8.475 27.737 3 U 1.102e+03 0.00e+00 m 0 80 72 79 0 3086 1.634 8.468 27.737 3 U 1.039e+03 0.00e+00 m 0 81 72 79 0 3087 3.739 9.047 45.511 3 U 6.315e+03 0.00e+00 m 0 100 98 99 0 3088 3.739 8.085 45.511 3 U 3.169e+03 0.00e+00 m 0 100 105 99 0 3089 4.318 9.040 45.540 3 U 2.590e+03 0.00e+00 m 0 101 98 99 0 3091 3.739 1.843 45.511 3 U 2.059e+03 0.00e+00 m 0 100 332 99 0 3092 3.739 1.704 45.511 3 U 5.061e+03 0.00e+00 m 0 100 333 99 0 3093 3.739 1.462 45.511 3 U 4.334e+03 0.00e+00 m 0 100 338 99 0 3094 4.386 0.825 52.832 3 U 2.425e+03 0.00e+00 m 0 107 131 106 0 3095 1.499 0.814 20.072 3 U -1.793e+04 0.00e+00 m 0 108 131 109 0 3096 1.499 0.958 20.072 3 U -1.927e+04 0.00e+00 m 0 108 358 109 0 3097 1.499 2.342 20.072 3 U -6.845e+03 0.00e+00 m 0 108 357 109 0 3098 1.499 2.501 20.072 3 U -8.532e+03 0.00e+00 m 0 108 66 109 0 3100 4.386 8.085 52.832 3 U 5.568e+03 0.00e+00 m 0 107 105 106 0 3101 4.386 8.255 52.832 3 U 3.195e+04 0.00e+00 m 0 107 115 106 0 3102 1.499 8.061 20.072 3 U -1.768e+04 0.00e+00 m 0 108 105 109 0 3103 1.499 8.261 20.072 3 U -1.269e+04 0.00e+00 m 0 108 115 109 0 3104 1.499 9.082 20.072 3 U -2.835e+03 0.00e+00 m 0 108 353 109 0 3106 5.423 8.261 54.489 3 U 3.474e+03 0.00e+00 m 0 117 115 116 0 3107 5.423 9.020 54.489 3 U 1.174e+04 0.00e+00 m 0 117 126 116 0 3110 2.493 9.020 42.694 3 U 1.940e+03 0.00e+00 m 0 120 126 118 0 3113 2.493 1.144 42.694 3 U 6.210e+03 0.00e+00 m 0 120 297 118 0 3115 2.632 1.616 42.694 3 U 2.875e+03 0.00e+00 m 0 162 271 160 0 3119 0.839 2.363 20.610 3 U -1.682e+04 0.00e+00 m 0 132 310 137 0 3120 0.839 2.641 20.610 3 U -2.238e+03 0.00e+00 m 0 132 162 137 0 3121 0.839 3.002 20.610 3 U -6.122e+03 0.00e+00 m 0 132 309 137 0 3122 0.811 2.358 22.682 3 U 2.087e+03 0.00e+00 m 0 131 310 133 0 3123 0.811 3.002 22.682 3 U 1.763e+03 0.00e+00 m 0 131 309 133 0 3124 0.811 1.520 22.682 3 U 2.086e+04 0.00e+00 m 0 131 759 133 0 3125 2.042 1.326 35.609 3 U 7.851e+03 0.00e+00 m 0 130 756 129 0 3126 2.042 0.452 35.609 3 U 6.146e+03 0.00e+00 m 0 130 760 129 0 3130 0.839 5.306 20.610 3 U -2.980e+03 0.00e+00 m 0 132 146 137 0 3133 0.839 6.772 20.610 3 U -7.362e+03 0.00e+00 m 0 132 312 137 0 3134 0.839 7.090 20.610 3 U -1.399e+03 0.00e+00 m 0 132 0 137 0 3135 0.811 6.830 22.682 3 U 6.218e+03 0.00e+00 m 0 131 45 133 0 3136 0.811 7.129 22.682 3 U 4.857e+03 0.00e+00 m 0 131 46 133 0 3137 2.042 8.854 35.609 3 U 5.937e+03 0.00e+00 m 0 130 144 129 0 3138 2.042 9.017 35.609 3 U 3.365e+03 0.00e+00 m 0 130 126 129 0 3140 0.811 9.025 22.682 3 U 2.759e+03 0.00e+00 m 0 131 126 133 0 3141 0.839 8.856 20.610 3 U -3.329e+03 0.00e+00 m 0 132 144 137 0 3142 0.839 9.025 20.610 3 U -1.647e+04 0.00e+00 m 0 132 126 137 0 3144 4.953 9.010 59.793 3 U 2.650e+03 0.00e+00 m 0 128 126 127 0 3145 3.952 8.860 71.698 3 U -8.294e+03 0.00e+00 m 0 148 144 147 0 3147 5.313 8.864 61.201 3 U 5.890e+04 0.00e+00 m 0 146 157 145 0 3150 1.110 8.859 22.268 3 U -2.089e+04 0.00e+00 m 0 149 144 151 0 3151 1.105 5.661 22.019 3 U -7.044e+03 0.00e+00 m 0 616 530 618 0 3153 5.313 0.824 61.201 3 U 3.891e+03 0.00e+00 m 0 146 0 145 0 3155 2.642 6.634 42.900 3 U 2.486e+03 0.00e+00 m 0 162 313 160 0 3157 2.736 6.634 42.900 3 U 3.124e+03 0.00e+00 m 0 161 313 160 0 3158 2.736 6.826 42.900 3 U 4.641e+03 0.00e+00 m 0 161 164 160 0 3159 2.736 8.872 42.900 3 U 2.394e+03 0.00e+00 m 0 161 157 160 0 3160 2.642 8.884 42.900 3 U 1.976e+03 0.00e+00 m 0 162 157 160 0 3162 4.868 7.908 56.768 3 U 1.001e+04 0.00e+00 m 0 159 180 158 0 3167 1.118 7.908 21.356 3 U -1.315e+03 0.00e+00 m 0 185 180 187 0 3169 1.118 8.869 21.356 3 U -2.578e+03 0.00e+00 m 0 185 0 187 0 3172 1.118 2.945 21.356 3 U -3.868e+03 0.00e+00 m 0 185 260 187 0 3174 2.779 8.575 42.819 3 U 6.853e+03 0.00e+00 m 0 198 193 196 0 3175 3.032 8.575 42.819 3 U 5.672e+03 0.00e+00 m 0 197 193 196 0 3176 2.779 6.673 42.819 3 U 4.073e+03 0.00e+00 m 0 198 165 196 0 3177 3.032 6.663 42.819 3 U 3.851e+03 0.00e+00 m 0 197 165 196 0 3181 3.600 8.506 45.540 3 U 5.624e+03 0.00e+00 m 0 580 585 579 0 3184 4.353 8.183 45.581 3 U 1.611e+04 0.00e+00 m 0 581 578 579 0 3185 4.353 8.519 45.581 3 U 4.238e+03 0.00e+00 m 0 581 585 579 0 3186 3.600 2.187 45.540 3 U 3.533e+03 0.00e+00 m 0 580 537 579 0 3187 3.600 2.606 45.540 3 U 5.584e+03 0.00e+00 m 0 580 536 579 0 3189 4.370 8.404 59.192 3 U 1.500e+04 0.00e+00 m 0 234 242 233 0 3190 4.370 8.271 59.192 3 U 3.857e+03 0.00e+00 m 0 234 232 233 0 3192 3.970 8.271 64.115 3 U -3.422e+03 0.00e+00 m 0 236 232 235 0 3193 3.970 8.404 64.115 3 U -2.494e+03 0.00e+00 m 0 236 242 235 0 3194 3.912 8.271 64.115 3 U -3.377e+03 0.00e+00 m 0 237 232 235 0 3195 3.912 8.404 64.115 3 U -3.373e+03 0.00e+00 m 0 237 242 235 0 3199 1.645 1.699 34.160 1 U 4.103e+05 0.00e+00 m 0 247 246 245 0 3201 1.645 1.645 34.160 1 U 4.545e+05 0.00e+00 m 0 247 247 245 0 3203 1.645 4.933 34.160 3 U 6.741e+03 0.00e+00 m 0 247 244 245 0 3204 1.699 8.400 34.160 3 U 4.686e+03 0.00e+00 m 0 246 242 245 0 3206 1.645 8.406 34.160 3 U 4.914e+03 0.00e+00 m 0 247 242 245 0 3208 1.699 1.111 34.160 3 U 7.771e+03 0.00e+00 m 0 246 185 245 0 3209 1.645 1.111 34.160 3 U 5.801e+03 0.00e+00 m 0 247 185 245 0 3210 1.645 2.927 34.160 3 U 1.562e+03 0.00e+00 m 0 247 260 245 0 3211 1.699 2.932 34.160 3 U 1.305e+03 0.00e+00 m 0 246 260 245 0 3215 1.350 4.951 25.251 3 U 3.834e+03 0.00e+00 m 0 251 244 249 0 3216 1.407 2.928 25.251 3 U 2.699e+03 0.00e+00 m 0 250 260 249 0 3221 1.407 8.408 25.251 3 U 1.099e+03 0.00e+00 m 0 250 242 249 0 3222 4.547 8.027 55.194 3 U 2.900e+04 0.00e+00 m 0 269 292 268 0 3223 4.547 8.763 55.194 3 U 1.067e+04 0.00e+00 m 0 269 267 268 0 3224 1.562 6.635 36.065 3 U 6.154e+03 0.00e+00 m 0 272 313 270 0 3225 1.562 6.818 36.065 3 U 2.952e+03 0.00e+00 m 0 272 164 270 0 3226 1.562 8.027 36.065 3 U 4.442e+03 0.00e+00 m 0 272 292 270 0 3227 1.562 8.763 36.065 3 U 5.335e+03 0.00e+00 m 0 272 267 270 0 3230 1.602 8.027 36.065 3 U 4.510e+03 0.00e+00 m 0 271 292 270 0 3231 1.602 8.757 36.065 3 U 4.328e+03 0.00e+00 m 0 271 267 270 0 3232 1.462 8.740 25.482 3 U 1.979e+03 0.00e+00 m 0 275 267 274 0 3234 1.363 8.751 25.482 3 U 1.713e+03 0.00e+00 m 0 276 267 274 0 3238 1.757 6.631 29.229 3 U 1.212e+03 0.00e+00 m 0 279 313 278 0 3240 5.086 9.053 61.674 3 U 2.796e+04 0.00e+00 m 0 294 305 293 0 3242 1.159 8.033 21.936 3 U -4.385e+03 0.00e+00 m 0 297 292 299 0 3244 5.091 6.770 56.147 3 U 1.443e+04 0.00e+00 m 0 307 312 306 0 3245 5.091 8.422 56.147 3 U 2.626e+04 0.00e+00 m 0 307 328 306 0 3246 5.091 9.051 56.147 3 U 7.214e+03 0.00e+00 m 0 307 305 306 0 3249 3.008 6.630 43.523 3 U 1.803e+03 0.00e+00 m 0 309 313 308 0 3251 3.008 9.046 43.523 3 U 3.253e+03 0.00e+00 m 0 309 305 308 0 3253 2.372 6.777 43.523 3 U 1.356e+04 0.00e+00 m 0 310 312 308 0 3254 2.372 6.635 43.523 3 U 1.840e+03 0.00e+00 m 0 310 313 308 0 3256 2.372 9.039 43.523 3 U 6.066e+03 0.00e+00 m 0 310 305 308 0 3258 1.159 2.483 21.936 3 U -1.359e+04 0.00e+00 m 0 297 120 299 0 3259 1.159 2.639 21.936 3 U -6.708e+03 0.00e+00 m 0 297 119 299 0 3260 5.091 2.116 56.147 3 U 2.377e+03 0.00e+00 m 0 307 514 306 0 3261 3.008 2.110 43.523 3 U 1.983e+04 0.00e+00 m 0 309 514 308 0 3262 3.008 0.829 43.523 3 U 5.985e+03 0.00e+00 m 0 309 132 308 0 3263 3.008 0.705 43.523 3 U 5.535e+03 0.00e+00 m 0 309 515 308 0 3264 3.008 0.425 43.523 3 U 7.498e+03 0.00e+00 m 0 309 516 308 0 3265 2.372 2.104 43.523 3 U 9.714e+03 0.00e+00 m 0 310 514 308 0 3266 2.372 0.836 43.523 3 U 1.122e+04 0.00e+00 m 0 310 132 308 0 3267 2.372 0.730 43.523 3 U 4.505e+03 0.00e+00 m 0 310 515 308 0 3268 2.372 0.425 43.523 3 U 4.505e+03 0.00e+00 m 0 310 516 308 0 3269 1.159 8.865 21.936 3 U -4.294e+03 0.00e+00 m 0 297 157 299 0 3270 1.159 9.051 21.936 3 U -1.479e+04 0.00e+00 m 0 297 305 299 0 3271 1.159 9.494 21.936 3 U -7.794e+03 0.00e+00 m 0 502 510 504 0 3272 3.919 9.051 70.870 3 U -2.283e+03 0.00e+00 m 0 296 305 295 0 3273 5.299 8.417 54.845 3 U 3.273e+03 0.00e+00 m 0 330 328 329 0 3275 5.299 9.094 54.845 3 U 2.596e+04 0.00e+00 m 0 330 353 329 0 3276 1.711 8.422 35.468 3 U 7.544e+03 0.00e+00 m 0 333 328 331 0 3277 1.711 9.094 35.468 3 U 2.976e+03 0.00e+00 m 0 333 353 331 0 3278 1.711 9.275 35.468 3 U 2.119e+03 0.00e+00 m 0 333 528 331 0 3280 1.830 9.088 35.468 3 U 2.936e+03 0.00e+00 m 0 332 353 331 0 3281 1.830 9.280 35.468 3 U 2.574e+03 0.00e+00 m 0 332 528 331 0 3283 1.452 5.033 24.837 3 U 7.646e+03 0.00e+00 m 0 464 456 461 0 3284 1.452 7.991 24.837 3 U 4.061e+03 0.00e+00 m 0 464 454 461 0 3286 1.452 9.099 24.837 3 U 5.889e+03 0.00e+00 m 0 338 353 335 0 3290 1.699 6.611 29.229 3 U 3.800e+01 0.00e+00 m 0 280 313 278 0 3293 5.299 0.952 54.845 3 U 3.124e+03 0.00e+00 m 0 330 358 329 0 3294 5.299 0.819 54.845 3 U 2.663e+03 0.00e+00 m 0 330 381 329 0 3295 1.830 0.812 35.468 3 U 2.514e+03 0.00e+00 m 0 332 381 331 0 3296 1.711 0.826 35.468 3 U 1.942e+03 0.00e+00 m 0 333 381 331 0 3297 1.452 1.079 24.837 3 U 1.080e+04 0.00e+00 m 0 464 651 461 0 3298 1.452 3.739 24.837 3 U 3.817e+03 0.00e+00 m 0 338 100 335 0 3299 0.727 3.039 21.688 3 U -1.006e+04 0.00e+00 m 0 359 409 364 0 3300 0.727 2.903 21.688 3 U -6.797e+03 0.00e+00 m 0 359 42 364 0 3301 0.727 3.878 21.688 3 U -1.502e+04 0.00e+00 m 0 359 74 364 0 3302 0.961 2.903 23.759 3 U 4.664e+03 0.00e+00 m 0 358 42 360 0 3303 0.961 1.492 23.759 3 U 1.395e+04 0.00e+00 m 0 358 108 360 0 3304 0.961 2.043 23.759 3 U 3.032e+03 0.00e+00 m 0 358 130 360 0 3305 2.345 1.508 32.668 3 U 3.760e+03 0.00e+00 m 0 357 108 356 0 3306 3.768 2.105 65.502 3 U -1.911e+03 0.00e+00 m 0 355 514 354 0 3307 3.768 1.510 65.502 3 U -3.157e+03 0.00e+00 m 0 355 108 354 0 3309 0.727 2.574 21.688 3 U -2.542e+03 0.00e+00 m 0 359 43 364 0 3310 0.961 4.517 23.759 3 U 4.345e+03 0.00e+00 m 0 358 40 360 0 3311 0.961 5.282 23.759 3 U 3.141e+03 0.00e+00 m 0 358 0 360 0 3312 0.961 5.373 23.759 3 U 2.224e+03 0.00e+00 m 0 358 512 360 0 3313 0.961 6.841 23.759 3 U 4.203e+03 0.00e+00 m 0 358 45 360 0 3314 0.961 9.096 23.759 3 U 2.500e+04 0.00e+00 m 0 358 353 360 0 3315 0.961 9.469 23.759 3 U 3.205e+03 0.00e+00 m 0 358 371 360 0 3316 2.345 3.872 32.668 3 U 2.566e+03 0.00e+00 m 0 357 74 356 0 3317 2.345 8.076 32.668 3 U 2.743e+03 0.00e+00 m 0 357 105 356 0 3318 2.345 9.090 32.668 3 U 1.210e+04 0.00e+00 m 0 357 353 356 0 3319 3.768 5.360 65.502 3 U -1.697e+04 0.00e+00 m 0 355 512 354 0 3320 3.768 7.972 65.502 3 U -2.278e+03 0.00e+00 m 0 355 393 354 0 3321 3.768 9.083 65.502 3 U -6.492e+03 0.00e+00 m 0 355 353 354 0 3322 3.768 9.272 65.502 3 U -1.860e+03 0.00e+00 m 0 355 528 354 0 3324 0.727 4.652 21.688 3 U -1.197e+04 0.00e+00 m 0 359 0 364 0 3328 0.727 9.077 21.688 3 U -9.475e+03 0.00e+00 m 0 359 353 364 0 3329 0.727 5.373 21.688 3 U -1.118e+04 0.00e+00 m 0 359 512 364 0 3330 0.727 5.276 21.688 3 U -3.454e+03 0.00e+00 m 0 359 405 364 0 3331 1.511 5.366 44.020 3 U 3.669e+03 0.00e+00 m 0 377 512 374 0 3334 1.511 4.028 44.020 3 U 5.656e+03 0.00e+00 m 0 377 501 374 0 3335 1.511 3.839 44.020 3 U 3.124e+03 0.00e+00 m 0 377 399 374 0 3336 1.574 5.379 27.074 3 U 4.997e+03 0.00e+00 m 0 379 512 378 0 3337 1.574 9.265 27.074 3 U 2.158e+03 0.00e+00 m 0 379 528 378 0 3338 1.574 9.468 27.074 3 U 5.326e+03 0.00e+00 m 0 379 371 378 0 3339 0.867 4.008 25.748 3 U 2.831e+03 0.00e+00 m 0 380 615 382 0 3340 0.867 5.314 25.748 3 U 1.874e+03 0.00e+00 m 0 380 613 382 0 3341 0.867 5.665 25.748 3 U 2.462e+03 0.00e+00 m 0 380 530 382 0 3342 0.867 6.809 25.748 3 U 1.214e+03 0.00e+00 m 0 380 542 382 0 3343 0.867 7.342 25.748 3 U 1.411e+03 0.00e+00 m 0 380 541 382 0 3344 0.867 8.862 25.748 3 U 1.343e+03 0.00e+00 m 0 380 546 382 0 3345 0.867 9.265 25.748 3 U 1.285e+03 0.00e+00 m 0 380 528 382 0 3346 0.867 9.468 25.748 3 U 1.387e+03 0.00e+00 m 0 380 371 382 0 3347 0.826 5.373 23.179 3 U 2.110e+03 0.00e+00 m 0 381 512 386 0 3349 0.826 7.335 23.179 3 U 2.121e+03 0.00e+00 m 0 381 541 386 0 3350 0.826 9.467 23.179 3 U 2.510e+03 0.00e+00 m 0 381 371 386 0 3353 3.851 8.473 65.110 3 U -2.659e+03 0.00e+00 m 0 399 403 396 0 3354 4.601 7.980 58.136 3 U 5.672e+03 0.00e+00 m 0 395 393 394 0 3355 4.601 8.470 58.136 3 U 5.061e+03 0.00e+00 m 0 395 403 394 0 3357 3.851 1.513 65.110 3 U -4.834e+03 0.00e+00 m 0 399 0 396 0 3358 3.051 0.483 41.659 3 U 6.307e+03 0.00e+00 m 0 409 485 406 0 3359 3.051 0.727 41.659 3 U 1.015e+04 0.00e+00 m 0 409 484 406 0 3360 5.280 0.491 56.975 3 U 3.329e+03 0.00e+00 m 0 405 485 404 0 3361 5.280 0.719 56.975 3 U 2.723e+03 0.00e+00 m 0 405 359 404 0 3362 3.051 4.665 41.659 3 U 8.067e+03 0.00e+00 m 0 409 0 406 0 3366 3.051 8.454 41.659 3 U 2.900e+03 0.00e+00 m 0 409 403 406 0 3367 3.051 8.380 41.659 3 U 2.238e+03 0.00e+00 m 0 409 426 406 0 3368 5.280 7.071 56.975 3 U 4.965e+03 0.00e+00 m 0 405 410 404 0 3370 5.280 8.376 56.975 3 U 1.064e+04 0.00e+00 m 0 405 426 404 0 3371 3.846 7.973 64.696 3 U -6.259e+03 0.00e+00 m 0 432 454 429 0 3375 4.068 8.477 47.736 3 U 2.896e+03 0.00e+00 m 0 439 443 437 0 3377 3.662 8.499 47.736 3 U 1.178e+03 0.00e+00 m 0 438 443 437 0 3378 2.881 7.982 41.451 3 U 2.113e+03 0.00e+00 m 0 449 454 446 0 3380 2.881 8.486 41.451 3 U 4.294e+03 0.00e+00 m 0 449 443 446 0 3381 2.881 8.759 41.451 3 U 3.317e+03 0.00e+00 m 0 449 693 446 0 3382 2.881 8.682 41.451 3 U 2.363e+03 0.00e+00 m 0 449 703 446 0 3384 2.881 1.728 41.451 3 U 4.686e+03 0.00e+00 m 0 449 713 446 0 3385 2.881 1.368 41.451 3 U 2.602e+03 0.00e+00 m 0 449 696 446 0 3386 5.040 7.986 55.199 3 U 6.475e+03 0.00e+00 m 0 456 454 455 0 3388 5.040 9.132 55.199 3 U 3.695e+04 0.00e+00 m 0 456 479 455 0 3389 1.924 7.986 35.402 3 U 9.112e+03 0.00e+00 m 0 458 454 457 0 3390 1.924 9.126 35.402 3 U 3.048e+03 0.00e+00 m 0 458 479 457 0 3391 1.559 7.992 35.402 3 U 3.607e+03 0.00e+00 m 0 459 454 457 0 3392 1.559 9.132 35.402 3 U 5.873e+03 0.00e+00 m 0 459 479 457 0 3393 1.459 9.121 24.919 3 U 3.993e+03 0.00e+00 m 0 464 479 461 0 3394 1.459 8.754 24.919 3 U 1.727e+03 0.00e+00 m 0 464 693 461 0 3395 1.459 8.409 24.919 3 U 2.675e+03 0.00e+00 m 0 338 328 335 0 3397 1.459 5.299 24.919 3 U 4.675e+03 0.00e+00 m 0 338 330 335 0 3398 1.631 4.804 29.063 3 U 2.558e+03 0.00e+00 m 0 466 684 465 0 3401 1.479 4.810 29.063 3 U 2.096e+03 0.00e+00 m 0 467 684 465 0 3402 1.479 7.986 29.063 3 U 1.191e+03 0.00e+00 m 0 467 454 465 0 3403 2.978 8.420 42.736 3 U 1.409e+03 0.00e+00 m 0 472 682 469 0 3404 1.479 2.971 29.063 3 U 9.271e+03 0.00e+00 m 0 467 472 465 0 3407 5.040 1.083 55.199 3 U 2.626e+03 0.00e+00 m 0 456 651 455 0 3408 1.924 1.061 35.402 3 U 6.475e+03 0.00e+00 m 0 458 651 457 0 3409 1.559 1.064 35.402 3 U 1.382e+04 0.00e+00 m 0 459 651 457 0 3410 1.631 1.074 29.063 3 U 5.551e+03 0.00e+00 m 0 466 651 465 0 3411 1.479 1.067 29.063 3 U 5.744e+03 0.00e+00 m 0 467 651 465 0 3412 0.486 5.033 21.688 3 U -2.190e+03 0.00e+00 m 0 485 0 490 0 3413 0.486 5.278 21.688 3 U -3.325e+03 0.00e+00 m 0 485 405 490 0 3414 0.486 6.783 21.688 3 U -3.213e+03 0.00e+00 m 0 485 411 490 0 3416 0.486 7.235 21.688 3 U -2.292e+03 0.00e+00 m 0 485 54 490 0 3420 0.716 6.800 22.185 3 U -9.362e+03 0.00e+00 m 0 515 666 517 0 3421 0.735 5.272 22.268 3 U -4.885e+03 0.00e+00 m 0 484 405 486 0 3424 0.735 9.042 22.268 3 U -1.118e+04 0.00e+00 m 0 484 497 486 0 3426 1.760 6.798 34.781 3 U 2.116e+03 0.00e+00 m 0 483 666 482 0 3429 1.760 8.934 34.781 3 U 1.526e+03 0.00e+00 m 0 483 659 482 0 3432 0.716 9.484 22.185 3 U -1.745e+04 0.00e+00 m 0 515 510 517 0 3434 5.191 9.036 62.610 3 U 5.608e+03 0.00e+00 m 0 499 497 498 0 3435 5.191 9.496 62.610 3 U 3.313e+04 0.00e+00 m 0 499 510 498 0 3437 4.032 9.042 69.710 3 U -1.495e+04 0.00e+00 m 0 501 497 500 0 3438 4.032 9.496 69.710 3 U -2.554e+03 0.00e+00 m 0 501 510 500 0 3439 1.164 8.006 22.102 3 U -4.334e+03 0.00e+00 m 0 297 292 299 0 3441 1.164 9.048 22.102 3 U -1.411e+04 0.00e+00 m 0 297 305 299 0 3442 1.164 9.484 22.102 3 U -1.697e+04 0.00e+00 m 0 502 510 504 0 3446 2.106 6.784 35.941 3 U 3.205e+03 0.00e+00 m 0 514 0 513 0 3447 2.106 8.419 35.941 3 U 2.815e+03 0.00e+00 m 0 514 328 513 0 3448 2.106 9.275 35.941 3 U 1.884e+04 0.00e+00 m 0 514 528 513 0 3449 2.106 9.484 35.941 3 U 2.638e+03 0.00e+00 m 0 514 510 513 0 3451 5.378 9.478 58.550 3 U 2.086e+04 0.00e+00 m 0 512 510 511 0 3452 1.760 0.653 34.781 3 U 1.322e+04 0.00e+00 m 0 483 761 482 0 3453 1.760 2.466 34.781 3 U 2.405e+03 0.00e+00 m 0 483 664 482 0 3454 0.735 2.891 22.268 3 U -3.567e+03 0.00e+00 m 0 484 42 486 0 3456 0.486 1.353 21.688 3 U -1.561e+04 0.00e+00 m 0 485 696 490 0 3457 0.486 3.049 21.688 3 U -8.691e+03 0.00e+00 m 0 485 0 490 0 3458 0.486 3.794 21.688 3 U -1.203e+04 0.00e+00 m 0 485 695 490 0 3459 5.191 0.438 62.610 3 U 3.281e+03 0.00e+00 m 0 499 0 498 0 3463 5.378 3.770 58.550 3 U 1.518e+04 0.00e+00 m 0 512 355 511 0 3464 2.106 3.004 35.941 3 U 2.127e+04 0.00e+00 m 0 514 309 513 0 3465 2.106 3.770 35.941 3 U 2.056e+03 0.00e+00 m 0 514 355 513 0 3466 5.378 2.993 58.550 3 U 1.526e+03 0.00e+00 m 0 512 309 511 0 3467 0.716 2.346 22.185 3 U -1.390e+04 0.00e+00 m 0 515 0 517 0 3468 0.716 3.776 22.185 3 U -3.595e+04 0.00e+00 m 0 515 355 517 0 3471 0.735 3.046 22.268 3 U -1.027e+04 0.00e+00 m 0 484 0 486 0 3472 0.430 5.201 20.196 3 U -3.173e+03 0.00e+00 m 0 516 499 521 0 3473 0.716 5.207 22.185 3 U -5.640e+03 0.00e+00 m 0 484 499 486 0 3474 0.430 6.410 20.196 3 U -6.556e+03 0.00e+00 m 0 516 667 521 0 3476 0.430 6.795 20.196 3 U -1.351e+04 0.00e+00 m 0 516 666 521 0 3478 0.430 8.860 20.196 3 U -5.985e+03 0.00e+00 m 0 516 546 521 0 3479 0.430 9.271 20.196 3 U -4.368e+03 0.00e+00 m 0 516 528 521 0 3480 0.430 9.500 20.196 3 U -1.704e+04 0.00e+00 m 0 516 510 521 0 3481 5.674 5.305 54.200 3 U 1.963e+04 0.00e+00 m 0 530 613 529 0 3482 5.674 8.888 54.200 3 U 4.544e+04 0.00e+00 m 0 530 546 529 0 3483 5.674 9.276 54.200 3 U 8.601e+03 0.00e+00 m 0 530 528 529 0 3484 2.083 8.866 34.076 3 U 2.269e+03 0.00e+00 m 0 532 546 531 0 3485 2.083 9.271 34.076 3 U 6.234e+03 0.00e+00 m 0 532 528 531 0 3486 1.912 8.871 34.076 3 U 2.411e+03 0.00e+00 m 0 533 546 531 0 3488 2.611 7.340 34.820 3 U 2.462e+03 0.00e+00 m 0 536 541 535 0 3489 2.611 8.888 34.820 3 U 3.971e+03 0.00e+00 m 0 536 546 535 0 3490 2.611 9.276 34.820 3 U 1.558e+03 0.00e+00 m 0 536 528 535 0 3491 2.199 7.334 34.820 3 U 3.237e+03 0.00e+00 m 0 537 541 535 0 3492 2.199 8.871 34.820 3 U 3.527e+03 0.00e+00 m 0 537 546 535 0 3493 2.611 8.171 34.820 3 U 1.031e+03 0.00e+00 m 0 536 578 535 0 3495 2.199 6.804 34.820 3 U 1.293e+03 0.00e+00 m 0 537 542 535 0 3496 2.611 6.809 34.820 3 U 1.313e+03 0.00e+00 m 0 536 542 535 0 3498 5.218 6.766 52.791 3 U 1.329e+04 0.00e+00 m 0 548 312 547 0 3499 5.218 8.882 52.791 3 U 7.726e+03 0.00e+00 m 0 548 546 547 0 3500 5.218 8.423 52.791 3 U 1.407e+03 0.00e+00 m 0 548 328 547 0 3501 0.430 3.004 20.196 3 U -9.509e+03 0.00e+00 m 0 516 309 521 0 3505 0.430 1.126 20.196 3 U -2.166e+04 0.00e+00 m 0 516 630 521 0 3506 5.674 1.120 54.200 3 U 6.371e+03 0.00e+00 m 0 530 616 529 0 3507 5.674 0.862 54.200 3 U 3.446e+03 0.00e+00 m 0 530 380 529 0 3508 5.674 0.733 54.200 3 U 1.755e+03 0.00e+00 m 0 530 633 529 0 3509 5.674 0.423 54.200 3 U 1.761e+03 0.00e+00 m 0 530 0 529 0 3510 1.912 0.825 34.076 3 U 8.657e+03 0.00e+00 m 0 533 381 531 0 3511 1.912 1.107 34.076 3 U 3.329e+03 0.00e+00 m 0 533 616 531 0 3512 2.083 1.114 34.076 3 U 1.506e+03 0.00e+00 m 0 532 616 531 0 3513 2.083 0.867 34.076 3 U 6.773e+03 0.00e+00 m 0 532 380 531 0 3514 2.611 3.584 34.820 3 U 3.494e+03 0.00e+00 m 0 536 580 535 0 3515 2.611 5.662 34.820 3 U 3.410e+03 0.00e+00 m 0 536 530 535 0 3516 2.199 5.674 34.820 3 U 6.668e+03 0.00e+00 m 0 537 530 535 0 3517 4.255 8.183 61.450 3 U 8.135e+03 0.00e+00 m 0 559 567 558 0 3520 2.823 8.183 41.866 3 U 1.043e+04 0.00e+00 m 0 573 567 570 0 3521 2.823 8.506 41.866 3 U 2.269e+03 0.00e+00 m 0 573 585 570 0 3523 4.363 8.505 57.141 3 U 1.290e+04 0.00e+00 m 0 587 585 586 0 3525 2.009 8.258 30.844 3 U 2.707e+03 0.00e+00 m 0 589 611 588 0 3526 2.009 8.510 30.844 3 U 1.311e+04 0.00e+00 m 0 589 585 588 0 3527 2.009 8.871 30.844 3 U 1.999e+03 0.00e+00 m 0 589 546 588 0 3528 4.363 8.866 57.141 3 U 1.763e+03 0.00e+00 m 0 587 546 586 0 3530 1.851 8.510 30.844 3 U 8.953e+03 0.00e+00 m 0 590 585 588 0 3532 1.737 8.258 28.400 3 U 1.745e+03 0.00e+00 m 0 593 611 592 0 3533 1.737 8.510 28.400 3 U 6.684e+03 0.00e+00 m 0 593 585 592 0 3534 1.624 8.258 28.400 3 U 1.604e+03 0.00e+00 m 0 594 611 592 0 3535 1.624 8.494 28.400 3 U 6.283e+03 0.00e+00 m 0 594 585 592 0 3536 1.624 2.826 28.400 3 U 2.471e+03 0.00e+00 m 0 594 573 592 0 3540 1.737 0.783 28.400 3 U 1.429e+03 0.00e+00 m 0 593 634 592 0 3541 1.851 0.772 30.844 3 U 2.221e+03 0.00e+00 m 0 590 634 588 0 3542 2.009 0.772 30.844 3 U 2.414e+03 0.00e+00 m 0 589 634 588 0 3543 5.311 8.257 61.508 3 U 6.532e+03 0.00e+00 m 0 613 611 612 0 3544 5.311 8.855 61.508 3 U 4.383e+04 0.00e+00 m 0 613 624 612 0 3546 5.244 8.942 61.697 3 U 3.966e+04 0.00e+00 m 0 648 659 647 0 3550 1.067 8.046 22.102 3 U -3.072e+03 0.00e+00 m 0 651 646 653 0 3551 1.067 8.942 22.102 3 U -1.425e+04 0.00e+00 m 0 651 659 653 0 3552 1.067 9.124 22.102 3 U -4.425e+03 0.00e+00 m 0 651 479 653 0 3554 4.002 0.845 70.786 3 U -2.727e+03 0.00e+00 m 0 615 381 614 0 3556 1.067 2.983 22.102 3 U -4.169e+03 0.00e+00 m 0 651 472 653 0 3557 1.067 1.930 22.102 3 U -7.692e+03 0.00e+00 m 0 651 458 653 0 3558 1.133 0.436 46.258 3 U 1.203e+04 0.00e+00 m 0 630 516 627 0 3560 0.737 2.911 26.315 3 U 4.414e+03 0.00e+00 m 0 633 551 635 0 3561 0.737 3.327 26.315 3 U 3.297e+03 0.00e+00 m 0 633 550 635 0 3564 1.133 6.645 46.258 3 U 1.877e+03 0.00e+00 m 0 630 675 627 0 3565 1.133 6.794 46.258 3 U 1.695e+03 0.00e+00 m 0 630 666 627 0 3568 1.133 8.847 46.258 3 U 6.106e+03 0.00e+00 m 0 630 624 627 0 3570 1.375 8.039 27.737 3 U 6.170e+02 0.00e+00 m 0 632 646 631 0 3571 1.375 8.855 27.737 3 U 3.704e+03 0.00e+00 m 0 632 624 631 0 3573 0.737 6.640 26.315 3 U 1.484e+04 0.00e+00 m 0 633 675 635 0 3574 0.737 6.776 26.315 3 U 5.174e+03 0.00e+00 m 0 633 312 635 0 3575 0.737 8.855 26.315 3 U 4.862e+03 0.00e+00 m 0 633 624 635 0 3578 0.790 6.653 25.000 3 U 7.680e+03 0.00e+00 m 0 634 675 639 0 3579 0.790 6.776 25.000 3 U 2.932e+03 0.00e+00 m 0 634 312 639 0 3581 0.790 8.853 25.000 3 U 2.875e+03 0.00e+00 m 0 634 624 639 0 3582 3.718 8.051 71.325 3 U -9.794e+03 0.00e+00 m 0 650 646 649 0 3589 4.883 8.437 56.354 3 U 2.250e+04 0.00e+00 m 0 661 682 660 0 3590 4.883 8.941 56.354 3 U 6.757e+03 0.00e+00 m 0 661 659 660 0 3593 3.078 8.437 44.227 3 U 7.271e+03 0.00e+00 m 0 663 682 662 0 3594 3.078 8.946 44.227 3 U 4.487e+03 0.00e+00 m 0 663 659 662 0 3595 3.078 9.135 44.227 3 U 1.170e+03 0.00e+00 m 0 663 479 662 0 3597 2.483 8.447 44.227 3 U 3.301e+03 0.00e+00 m 0 664 682 662 0 3599 2.483 9.135 44.227 3 U 1.293e+03 0.00e+00 m 0 664 479 662 0 3600 2.483 1.759 44.227 3 U 2.655e+03 0.00e+00 m 0 664 483 662 0 3601 2.483 1.519 44.227 3 U 1.948e+03 0.00e+00 m 0 664 759 662 0 3602 2.483 0.465 44.227 3 U 3.104e+03 0.00e+00 m 0 664 760 662 0 3603 2.483 0.633 44.227 3 U 6.524e+03 0.00e+00 m 0 664 761 662 0 3604 2.483 0.709 44.227 3 U 4.289e+03 0.00e+00 m 0 664 484 662 0 3605 2.483 1.198 44.227 3 U 1.121e+03 0.00e+00 m 0 664 738 662 0 3606 3.078 1.937 44.227 3 U 2.514e+03 0.00e+00 m 0 663 733 662 0 3607 3.078 1.769 44.227 3 U 1.676e+03 0.00e+00 m 0 663 483 662 0 3608 3.078 1.525 44.227 3 U 1.524e+03 0.00e+00 m 0 663 759 662 0 3609 3.078 1.198 44.227 3 U 2.598e+03 0.00e+00 m 0 663 738 662 0 3611 3.078 0.643 44.227 3 U 4.556e+03 0.00e+00 m 0 663 761 662 0 3612 3.078 0.470 44.227 3 U 3.772e+03 0.00e+00 m 0 663 760 662 0 3613 4.883 0.434 56.354 3 U 4.294e+03 0.00e+00 m 0 661 0 660 0 3614 2.650 1.942 42.114 3 U 2.371e+03 0.00e+00 m 0 687 733 685 0 3615 2.650 1.723 42.114 3 U 7.987e+03 0.00e+00 m 0 687 713 685 0 3618 2.650 0.465 42.114 3 U 5.061e+03 0.00e+00 m 0 687 760 685 0 3619 2.878 1.937 42.114 3 U 2.996e+03 0.00e+00 m 0 686 733 685 0 3621 2.878 1.178 42.114 3 U 5.367e+03 0.00e+00 m 0 686 738 685 0 3622 2.878 7.851 42.114 3 U 1.745e+03 0.00e+00 m 0 686 729 685 0 3623 2.878 8.447 42.114 3 U 1.326e+04 0.00e+00 m 0 686 682 685 0 3625 2.650 8.447 42.114 3 U 1.700e+04 0.00e+00 m 0 687 682 685 0 3628 2.650 8.750 42.114 3 U 3.510e+03 0.00e+00 m 0 687 693 685 0 3631 1.360 9.133 19.284 3 U -2.478e+03 0.00e+00 m 0 696 479 697 0 3632 1.360 7.238 19.284 3 U -3.596e+03 0.00e+00 m 0 696 54 697 0 3633 1.360 7.111 19.284 3 U -5.230e+03 0.00e+00 m 0 696 46 697 0 3635 1.360 4.218 19.284 3 U -2.847e+03 0.00e+00 m 0 696 0 697 0 3636 1.360 4.767 19.284 3 U -1.078e+04 0.00e+00 m 0 696 445 697 0 3637 1.360 5.032 19.284 3 U -2.719e+03 0.00e+00 m 0 696 456 697 0 3638 1.360 2.873 19.284 3 U -5.150e+03 0.00e+00 m 0 696 449 697 0 3639 1.360 0.482 19.284 3 U -1.866e+04 0.00e+00 m 0 696 485 697 0 3642 3.795 0.654 55.567 3 U 5.310e+03 0.00e+00 m 0 695 761 694 0 3643 3.795 0.482 55.567 3 U 9.850e+03 0.00e+00 m 0 695 485 694 0 3645 4.228 7.834 58.426 3 U 3.919e+03 0.00e+00 m 0 705 729 704 0 3646 4.228 8.680 58.426 3 U 1.102e+04 0.00e+00 m 0 705 703 704 0 3647 1.969 7.851 29.974 3 U 3.165e+03 0.00e+00 m 0 707 729 706 0 3648 1.969 8.680 29.974 3 U 1.208e+04 0.00e+00 m 0 707 703 706 0 3649 1.916 7.851 29.974 3 U 2.482e+03 0.00e+00 m 0 708 729 706 0 3650 1.916 8.675 29.974 3 U 1.118e+04 0.00e+00 m 0 708 703 706 0 3653 1.729 2.873 27.737 3 U 9.396e+03 0.00e+00 m 0 713 686 710 0 3654 1.729 2.645 27.737 3 U 5.913e+03 0.00e+00 m 0 713 687 710 0 3655 1.969 2.873 29.974 3 U 1.715e+03 0.00e+00 m 0 707 686 706 0 3656 1.189 2.651 26.080 3 U 3.993e+03 0.00e+00 m 0 738 687 740 0 3657 1.189 2.885 26.080 3 U 4.198e+03 0.00e+00 m 0 738 686 740 0 3658 1.189 3.064 26.080 3 U 2.121e+03 0.00e+00 m 0 738 663 740 0 3659 0.963 6.680 22.800 3 U 2.968e+03 0.00e+00 m 0 739 165 744 0 3660 0.963 6.828 22.800 3 U 1.520e+03 0.00e+00 m 0 739 164 744 0 3664 1.189 6.817 26.080 3 U 3.726e+03 0.00e+00 m 0 738 164 740 0 3665 1.189 7.838 26.080 3 U 1.197e+03 0.00e+00 m 0 738 729 740 0 3666 1.189 8.442 26.080 3 U 2.835e+03 0.00e+00 m 0 738 682 740 0 3667 4.386 7.530 55.774 3 U 2.249e+03 0.00e+00 m 0 731 751 730 0 3668 4.386 7.843 55.774 3 U 5.825e+03 0.00e+00 m 0 731 729 730 0 3671 1.834 7.535 44.725 3 U 5.608e+03 0.00e+00 m 0 755 751 754 0 3672 1.834 8.100 44.725 3 U 1.073e+03 0.00e+00 m 0 755 773 754 0 3673 1.337 7.125 44.725 3 U 1.114e+03 0.00e+00 m 0 756 46 754 0 3674 1.337 7.530 44.725 3 U 1.974e+03 0.00e+00 m 0 756 751 754 0 3675 1.337 8.100 44.725 3 U 1.421e+03 0.00e+00 m 0 756 773 754 0 3676 1.517 7.535 26.743 3 U 3.040e+03 0.00e+00 m 0 759 751 758 0 3679 0.468 7.533 23.100 3 U 1.470e+03 0.00e+00 m 0 760 751 762 0 3680 0.644 6.809 26.000 3 U 3.329e+03 0.00e+00 m 0 761 666 766 0 3683 0.644 2.042 26.000 3 U 2.332e+03 0.00e+00 m 0 761 130 766 0 3684 0.644 2.478 26.000 3 U 6.692e+03 0.00e+00 m 0 761 664 766 0 3685 0.644 3.073 26.000 3 U 3.561e+03 0.00e+00 m 0 761 663 766 0 3686 0.644 3.791 26.000 3 U 3.828e+03 0.00e+00 m 0 761 695 766 0 3687 0.468 2.024 23.100 3 U 5.270e+03 0.00e+00 m 0 760 130 762 0 3688 0.468 2.478 23.100 3 U 2.928e+03 0.00e+00 m 0 760 664 762 0 3690 0.468 3.061 23.100 3 U 4.005e+03 0.00e+00 m 0 760 663 762 0 3691 1.517 2.472 26.743 3 U 1.060e+03 0.00e+00 m 0 759 664 758 0 3692 1.517 3.061 26.743 3 U 1.962e+03 0.00e+00 m 0 759 663 758 0 3693 1.517 3.791 26.743 3 U 1.743e+03 0.00e+00 m 0 759 695 758 0 3694 1.834 3.791 44.725 3 U 1.809e+03 0.00e+00 m 0 755 695 754 0 3696 2.003 8.188 32.709 3 U 5.696e+03 0.00e+00 m 0 803 842 802 0 3697 2.003 8.296 32.709 3 U 2.417e+03 0.00e+00 m 0 803 817 802 0 3698 4.124 8.284 63.375 3 U 6.122e+03 0.00e+00 m 0 801 817 800 0 3699 4.124 8.182 63.375 3 U 2.936e+03 0.00e+00 m 0 801 842 800 0 3700 0.790 8.182 21.439 3 U -6.869e+03 0.00e+00 m 0 805 842 810 0 3701 0.790 8.296 21.439 3 U -2.096e+03 0.00e+00 m 0 805 817 810 0 3708 0.828 8.266 21.770 3 U -1.684e+03 0.00e+00 m 0 804 817 806 0 3710 4.165 8.165 57.721 3 U 4.158e+03 0.00e+00 m 0 819 842 818 0 3711 4.165 8.294 57.721 3 U 2.847e+03 0.00e+00 m 0 819 817 818 0 3712 1.708 8.289 33.127 3 U 3.686e+03 0.00e+00 m 0 821 817 820 0 3716 4.165 0.831 57.721 3 U 4.345e+03 0.00e+00 m 0 819 0 818 0 3717 1.620 0.825 33.127 3 U 1.480e+03 0.00e+00 m 0 822 0 820 0 3718 1.708 0.802 33.127 3 U 2.699e+03 0.00e+00 m 0 821 0 820 0 3725 1.620 1.293 33.127 3 U 2.092e+04 0.00e+00 m 0 822 827 820 0 3726 1.708 1.293 33.127 3 U 2.596e+04 0.00e+00 m 0 821 827 820 0 3727 1.282 2.824 25.500 3 U 5.793e+03 0.00e+00 m 0 827 835 824 0 3728 1.620 2.830 33.127 3 U 1.383e+03 0.00e+00 m 0 822 835 820 0 3729 1.708 2.830 33.127 3 U 1.365e+03 0.00e+00 m 0 821 835 820 0 3731 1.578 0.825 29.525 3 U 4.096e+03 0.00e+00 m 0 831 0 828 0 3732 1.578 2.830 29.525 3 U 1.450e+04 0.00e+00 m 0 831 835 828 0 3736 4.304 8.051 57.042 3 U 3.772e+03 0.00e+00 m 0 844 867 843 0 3741 3.230 7.197 29.809 3 U 5.214e+03 0.00e+00 m 0 872 880 870 0 3742 3.230 7.523 29.809 3 U 5.865e+03 0.00e+00 m 0 872 881 870 0 3743 3.230 8.063 29.809 3 U 2.767e+03 0.00e+00 m 0 872 891 870 0 3744 3.315 7.202 29.809 3 U 5.680e+03 0.00e+00 m 0 871 880 870 0 3746 3.315 8.058 29.809 3 U 3.630e+03 0.00e+00 m 0 871 891 870 0 3747 3.230 0.803 29.809 3 U 2.195e+03 0.00e+00 m 0 872 0 870 0 3748 3.315 0.803 29.809 3 U 2.019e+03 0.00e+00 m 0 871 0 870 0 3751 3.230 3.319 29.809 3 U 2.709e+05 0.00e+00 m 0 872 871 870 0 3752 3.315 3.234 29.809 3 U 3.280e+05 0.00e+00 m 0 871 872 870 0 3754 4.230 8.080 55.774 3 U 5.712e+03 0.00e+00 m 0 893 913 892 0 3755 1.550 8.086 42.694 3 U 3.772e+03 0.00e+00 m 0 895 913 894 0 3756 1.471 8.080 42.694 3 U 3.664e+03 0.00e+00 m 0 896 913 894 0 3760 1.502 8.080 27.157 3 U 2.181e+03 0.00e+00 m 0 899 913 898 0 3765 1.471 0.841 42.694 3 U 1.390e+04 0.00e+00 m 0 896 900 894 0 3766 1.471 0.786 42.694 3 U 9.123e+03 0.00e+00 m 0 896 901 894 0 3768 1.924 8.111 30.537 3 U 3.229e+03 0.00e+00 m 0 919 913 916 0 3771 3.344 6.770 42.950 3 U 3.891e+03 0.00e+00 m 0 550 312 549 0 3772 3.344 8.881 42.950 3 U 6.331e+03 0.00e+00 m 0 550 546 549 0 3773 2.924 6.631 42.950 3 U 7.805e+03 0.00e+00 m 0 551 313 549 0 3774 2.924 6.766 42.950 3 U 5.608e+03 0.00e+00 m 0 551 312 549 0 3775 2.924 8.885 42.950 3 U 7.737e+03 0.00e+00 m 0 551 546 549 0 3779 2.586 6.850 39.546 1 U 3.012e+03 0.00e+00 m 0 43 45 41 0 3780 2.586 7.072 39.546 1 U 1.735e+03 0.00e+00 m 0 43 410 41 0 3781 2.897 6.850 39.546 1 U 3.800e+03 0.00e+00 m 0 42 45 41 0 3782 2.696 7.842 42.611 1 U 1.114e+03 0.00e+00 m 0 65 61 64 0 3783 1.848 8.457 30.264 1 U 8.032e+03 0.00e+00 m 0 78 72 75 0 3784 1.729 7.845 27.737 1 U 1.163e+04 0.00e+00 m 0 713 729 710 0 3785 1.729 8.691 27.737 1 U 9.010e+03 0.00e+00 m 0 713 703 710 0 3786 3.795 4.088 55.567 1 U 5.142e+03 0.00e+00 m 0 695 0 694 0 3787 3.795 8.756 55.567 1 U 9.146e+03 0.00e+00 m 0 695 693 694 0 3788 1.360 8.756 19.284 1 U -3.363e+04 0.00e+00 m 0 696 693 697 0 3789 1.360 6.774 19.284 1 U -9.248e+03 0.00e+00 m 0 696 411 697 0 3790 2.483 8.947 44.227 1 U 6.982e+03 0.00e+00 m 0 664 659 662 0 3791 2.483 6.808 44.227 1 U 6.749e+03 0.00e+00 m 0 664 666 662 0 3792 3.078 6.816 44.227 1 U 8.248e+03 0.00e+00 m 0 663 666 662 0 3794 4.883 6.824 56.354 1 U 8.862e+03 0.00e+00 m 0 661 666 660 0 3795 4.883 7.928 56.354 1 U 5.993e+03 0.00e+00 m 0 661 0 660 0 3796 1.511 7.979 44.020 1 U 1.072e+04 0.00e+00 m 0 377 393 374 0 3797 1.511 9.467 44.020 1 U 1.303e+04 0.00e+00 m 0 377 371 374 0 3798 0.826 9.276 23.179 1 U 1.686e+03 0.00e+00 m 0 381 528 386 0 3799 3.768 9.468 65.502 1 U -3.218e+04 0.00e+00 m 0 355 371 354 0 3800 1.452 8.420 24.837 1 U 4.164e+03 0.00e+00 m 0 338 328 335 0 3801 1.830 8.417 35.468 1 U 9.044e+03 0.00e+00 m 0 332 328 331 0 3802 3.919 8.025 70.870 1 U -7.680e+03 0.00e+00 m 0 296 292 295 0 3803 5.086 8.031 61.674 1 U 3.982e+03 0.00e+00 m 0 294 292 293 0 3804 4.278 4.278 45.540 1 U 4.427e+05 0.00e+00 m 0 228 228 226 0 3805 4.278 8.205 45.540 1 U 6.162e+03 0.00e+00 m 0 228 225 226 0 3806 3.556 8.203 45.540 1 U 1.030e+04 0.00e+00 m 0 227 225 226 0 3807 3.556 1.107 45.540 1 U 1.293e+04 0.00e+00 m 0 227 185 226 0 3808 4.278 1.107 45.540 1 U 6.291e+03 0.00e+00 m 0 228 185 226 0 3809 4.318 8.084 45.540 1 U 2.059e+03 0.00e+00 m 0 101 105 99 0 3811 4.278 8.278 45.540 1 U 5.126e+03 0.00e+00 m 0 228 232 226 0 3812 3.600 8.179 45.540 1 U 2.981e+04 0.00e+00 m 0 580 578 579 0 3813 3.556 8.282 45.540 1 U 5.359e+03 0.00e+00 m 0 227 232 226 0 3814 2.493 8.267 42.694 1 U 6.411e+03 0.00e+00 m 0 120 115 118 0 3815 2.632 8.267 42.694 1 U 8.521e+03 0.00e+00 m 0 119 115 118 0 3816 4.953 8.849 59.793 1 U 5.174e+03 0.00e+00 m 0 128 144 127 0 3817 3.344 8.189 42.950 1 U 1.695e+03 0.00e+00 m 0 550 567 549 0 3818 2.924 8.174 42.950 1 U 1.526e+03 0.00e+00 m 0 551 567 549 0 3819 1.944 7.845 42.650 1 U 1.205e+04 0.00e+00 m 0 733 729 732 0 3820 1.799 7.845 42.650 1 U 7.782e+03 0.00e+00 m 0 734 729 732 0 3821 1.799 6.825 42.650 1 U 2.397e+03 0.00e+00 m 0 734 164 732 0 3822 1.799 6.683 42.650 1 U 3.522e+03 0.00e+00 m 0 734 165 732 0 3823 1.944 6.683 42.650 1 U 2.626e+03 0.00e+00 m 0 733 165 732 0 3824 1.944 6.825 42.650 1 U 3.341e+03 0.00e+00 m 0 733 164 732 0 3825 1.189 6.685 26.080 1 U 4.113e+03 0.00e+00 m 0 738 165 740 0 3826 2.878 8.752 42.114 1 U 3.357e+03 0.00e+00 m 0 686 693 685 0 3827 3.718 8.945 71.325 1 U -2.851e+03 0.00e+00 m 0 650 659 649 0 3828 4.002 8.858 70.786 1 U -7.635e+03 0.00e+00 m 0 615 624 614 0 3829 1.105 8.266 22.019 1 U -6.700e+03 0.00e+00 m 0 616 611 618 0 3830 4.002 8.266 70.786 1 U -1.305e+04 0.00e+00 m 0 615 611 614 0 3831 1.133 8.043 46.258 1 U 4.783e+03 0.00e+00 m 0 630 646 627 0 3832 0.790 8.048 25.000 1 U 1.389e+03 0.00e+00 m 0 634 646 639 0 3833 5.244 8.053 61.697 1 U 5.134e+03 0.00e+00 m 0 648 646 647 0 3834 4.363 8.261 57.141 1 U 5.110e+04 0.00e+00 m 0 587 611 586 0 3835 1.851 8.261 30.844 1 U 5.503e+03 0.00e+00 m 0 590 611 588 0 3837 4.847 8.178 54.655 1 U 1.038e+04 0.00e+00 m 0 569 567 568 0 3838 2.199 9.280 34.820 1 U 1.291e+03 0.00e+00 m 0 537 528 535 0 3839 1.912 9.280 34.076 1 U 6.411e+03 0.00e+00 m 0 533 528 531 0 3840 5.378 9.280 58.550 1 U 2.542e+04 0.00e+00 m 0 512 528 511 0 3841 1.760 9.138 34.781 1 U 9.782e+03 0.00e+00 m 0 483 479 482 0 3842 0.486 9.143 21.688 1 U -9.203e+03 0.00e+00 m 0 485 479 490 0 3843 0.486 9.038 21.688 1 U -4.942e+03 0.00e+00 m 0 485 497 490 0 3845 4.032 7.971 69.710 1 U -9.994e+03 0.00e+00 m 0 501 393 500 0 3847 0.716 9.281 22.185 1 U -6.516e+03 0.00e+00 m 0 515 528 517 0 3848 0.735 9.139 22.268 1 U -7.896e+03 0.00e+00 m 0 484 479 486 0 3850 0.716 6.410 22.185 1 U -2.218e+03 0.00e+00 m 0 515 667 517 0 3851 5.191 8.933 62.610 1 U 3.630e+03 0.00e+00 m 0 499 659 498 0 3852 5.040 8.759 55.199 1 U 8.589e+03 0.00e+00 m 0 456 693 455 0 3853 1.459 7.994 24.919 1 U 4.226e+03 0.00e+00 m 0 464 454 461 0 3854 5.086 4.704 61.674 1 U 3.474e+03 0.00e+00 m 0 294 0 293 0 3855 5.313 5.089 61.201 1 U 1.253e+04 0.00e+00 m 0 146 294 145 0 3856 5.086 5.295 61.674 1 U 1.522e+04 0.00e+00 m 0 294 146 293 0 3857 5.423 5.302 54.489 1 U 2.362e+04 0.00e+00 m 0 117 330 116 0 3858 5.299 5.424 54.845 1 U 2.352e+04 0.00e+00 m 0 330 117 329 0 3860 5.280 4.675 56.975 1 U 2.137e+04 0.00e+00 m 0 405 481 404 0 3864 0.644 7.140 26.000 1 U 2.138e+03 0.00e+00 m 0 761 46 766 0 3865 0.839 5.385 20.610 1 U -2.671e+03 0.00e+00 m 0 132 0 137 0 3867 2.372 8.414 43.523 1 U 3.522e+03 0.00e+00 m 0 310 328 308 0 3868 5.280 9.043 56.975 1 U 3.237e+03 0.00e+00 m 0 405 497 404 0 3869 0.839 5.060 20.610 1 U -3.345e+03 0.00e+00 m 0 132 0 137 0 3870 0.839 4.955 20.610 1 U -5.270e+03 0.00e+00 m 0 132 128 137 0 3874 4.370 8.535 59.192 1 U 2.076e+03 0.00e+00 m 0 234 0 233 0 3875 1.699 8.757 34.160 1 U 2.255e+03 0.00e+00 m 0 246 267 245 0 3876 4.944 8.753 56.050 1 U 9.839e+03 0.00e+00 m 0 244 267 243 0 3878 1.389 4.946 25.002 1 U 2.807e+03 0.00e+00 m 0 250 0 249 0 3879 1.336 4.953 25.002 1 U 4.277e+03 0.00e+00 m 0 251 244 249 0 3880 1.336 4.687 25.002 1 U 4.402e+03 0.00e+00 m 0 251 182 249 0 3882 1.363 3.016 25.482 1 U 5.511e+03 0.00e+00 m 0 276 285 274 0 3884 1.363 6.637 25.482 1 U 1.620e+03 0.00e+00 m 0 276 313 274 0 3885 1.462 8.021 25.482 1 U 1.976e+03 0.00e+00 m 0 275 292 274 0 3886 1.462 6.637 25.482 1 U 1.237e+03 0.00e+00 m 0 275 313 274 0 3889 5.311 5.665 61.508 1 U 2.417e+04 0.00e+00 m 0 613 530 612 0 3890 1.499 2.675 20.072 1 U -3.169e+03 0.00e+00 m 0 108 65 109 0 3891 2.738 4.868 42.900 1 U 3.377e+03 0.00e+00 m 0 161 159 160 0 3892 2.642 6.826 42.900 1 U 3.726e+03 0.00e+00 m 0 162 164 160 0 3893 3.344 6.635 42.950 1 U 6.218e+03 0.00e+00 m 0 550 313 549 0 3894 3.876 7.908 69.833 1 U -4.073e+03 0.00e+00 m 0 184 180 183 0 3895 1.118 3.555 21.356 1 U -1.538e+04 0.00e+00 m 0 185 227 187 0 3896 1.118 4.258 21.356 1 U -5.584e+03 0.00e+00 m 0 185 228 187 0 3897 1.118 8.568 21.356 1 U -6.291e+03 0.00e+00 m 0 185 193 187 0 3898 5.091 6.638 56.147 1 U 2.626e+03 0.00e+00 m 0 307 313 306 0 3899 3.008 6.770 43.523 1 U 1.407e+04 0.00e+00 m 0 309 312 308 0 3900 3.008 8.410 43.523 1 U 9.578e+03 0.00e+00 m 0 309 328 308 0 3901 3.008 9.270 43.523 1 U 3.704e+03 0.00e+00 m 0 309 528 308 0 3902 5.423 0.824 54.489 1 U 2.422e+03 0.00e+00 m 0 117 0 116 0 3903 5.423 1.468 54.489 1 U 2.610e+03 0.00e+00 m 0 117 0 116 0 3904 2.632 1.695 42.694 1 U 3.450e+03 0.00e+00 m 0 162 0 160 0 3905 0.811 8.854 22.682 1 U 2.258e+03 0.00e+00 m 0 131 144 133 0 3906 0.811 4.130 22.682 1 U 1.255e+04 0.00e+00 m 0 131 0 133 0 3907 2.978 8.135 40.871 1 U 1.942e+03 0.00e+00 m 0 218 214 217 0 3908 2.733 8.130 40.871 1 U 2.759e+03 0.00e+00 m 0 219 214 217 0 3909 1.159 3.996 21.936 1 U -2.642e+04 0.00e+00 m 0 297 0 299 0 3911 0.727 9.465 21.688 1 U -1.866e+04 0.00e+00 m 0 359 371 364 0 3912 0.727 7.982 21.688 1 U -1.388e+04 0.00e+00 m 0 359 393 364 0 3913 0.727 7.081 21.688 1 U -5.270e+03 0.00e+00 m 0 359 410 364 0 3914 0.727 6.785 21.688 1 U -7.339e+03 0.00e+00 m 0 359 411 364 0 3915 3.851 7.972 65.110 1 U -4.016e+03 0.00e+00 m 0 399 393 396 0 3916 3.051 7.080 41.659 1 U 1.779e+04 0.00e+00 m 0 409 410 406 0 3917 3.051 6.955 41.659 1 U 2.602e+03 0.00e+00 m 0 409 0 406 0 3918 3.051 6.788 41.659 1 U 2.048e+03 0.00e+00 m 0 409 411 406 0 3919 0.826 6.805 23.179 1 U 1.860e+03 0.00e+00 m 0 381 542 386 0 3920 0.826 1.903 23.179 1 U 1.044e+04 0.00e+00 m 0 381 533 386 0 3921 0.867 1.908 25.748 1 U 1.513e+04 0.00e+00 m 0 380 533 382 0 3922 0.867 2.067 25.748 1 U 6.580e+03 0.00e+00 m 0 380 532 382 0 3923 0.826 2.073 23.179 1 U 8.839e+03 0.00e+00 m 0 381 0 386 0 3924 1.912 0.869 34.076 1 U 1.052e+04 0.00e+00 m 0 533 380 531 0 3925 2.083 0.832 34.076 1 U 6.315e+03 0.00e+00 m 0 532 381 531 0 3926 3.846 1.528 64.696 1 U -6.162e+03 0.00e+00 m 0 432 0 429 0 3927 3.846 1.135 64.696 1 U -3.446e+03 0.00e+00 m 0 432 0 429 0 3929 3.846 8.448 64.696 1 U -2.996e+03 0.00e+00 m 0 432 436 429 0 3930 4.068 8.003 47.736 1 U 1.697e+03 0.00e+00 m 0 439 0 437 0 3932 1.760 7.076 34.781 1 U 1.803e+03 0.00e+00 m 0 483 410 482 0 3933 0.486 7.076 21.688 1 U -5.600e+03 0.00e+00 m 0 485 410 490 0 3934 4.032 1.516 69.710 1 U -1.033e+04 0.00e+00 m 0 501 377 500 0 3935 5.378 1.550 58.550 1 U 6.483e+03 0.00e+00 m 0 512 0 511 0 3936 5.378 1.146 58.550 1 U 2.221e+03 0.00e+00 m 0 512 0 511 0 3939 0.430 2.364 20.196 1 U -5.077e+03 0.00e+00 m 0 516 310 521 0 3940 0.430 6.655 20.196 1 U -5.375e+03 0.00e+00 m 0 516 675 521 0 3942 2.199 3.589 34.820 1 U 2.550e+03 0.00e+00 m 0 537 580 535 0 3943 2.199 1.109 34.820 1 U 2.952e+03 0.00e+00 m 0 537 616 535 0 3944 2.199 0.825 34.820 1 U 2.275e+03 0.00e+00 m 0 537 381 535 0 3945 2.611 1.109 34.820 1 U 1.562e+03 0.00e+00 m 0 536 616 535 0 3946 2.611 0.825 34.820 1 U 2.119e+03 0.00e+00 m 0 536 381 535 0 3947 2.199 0.867 34.820 1 U 2.679e+03 0.00e+00 m 0 537 380 535 0 3948 5.218 8.800 52.791 1 U 2.582e+03 0.00e+00 m 0 548 557 547 0 3949 3.344 8.804 42.950 1 U 2.161e+03 0.00e+00 m 0 550 557 549 0 3950 3.344 4.694 42.950 1 U 2.703e+03 0.00e+00 m 0 550 0 549 0 3951 3.344 0.738 42.950 1 U 3.076e+03 0.00e+00 m 0 550 633 549 0 3952 2.924 0.744 42.950 1 U 3.840e+03 0.00e+00 m 0 551 633 549 0 3953 5.218 6.640 52.791 1 U 3.241e+03 0.00e+00 m 0 548 313 547 0 3957 1.737 2.850 28.400 1 U 3.325e+03 0.00e+00 m 0 593 573 592 0 3958 4.517 6.850 57.183 1 U 4.612e+03 0.00e+00 m 0 40 45 39 0 3959 4.517 3.778 57.183 1 U 7.112e+03 0.00e+00 m 0 40 34 39 0 3960 5.244 9.490 61.697 1 U 4.147e+03 0.00e+00 m 0 648 510 647 0 3961 1.133 6.406 46.258 1 U 2.831e+03 0.00e+00 m 0 630 667 627 0 3962 0.737 6.419 26.315 1 U 3.373e+03 0.00e+00 m 0 633 667 635 0 3963 0.790 6.419 25.000 1 U 1.600e+03 0.00e+00 m 0 634 667 639 0 3965 1.375 0.429 27.737 1 U 2.471e+03 0.00e+00 m 0 632 516 631 0 3966 0.963 7.839 22.800 1 U 2.494e+03 0.00e+00 m 0 739 729 744 0 3967 0.468 6.671 23.100 1 U 3.293e+03 0.00e+00 m 0 760 0 762 0 3968 0.468 6.820 23.100 1 U 1.038e+04 0.00e+00 m 0 760 666 762 0 3969 1.834 7.142 44.725 1 U 1.891e+03 0.00e+00 m 0 755 46 754 0 3970 1.834 7.250 44.725 1 U 2.707e+03 0.00e+00 m 0 755 54 754 0 3971 1.795 8.105 32.046 1 U 3.522e+03 0.00e+00 m 0 778 773 776 0 3972 1.834 8.105 32.046 1 U 3.726e+03 0.00e+00 m 0 777 773 776 0 3973 0.790 6.837 21.439 1 U -2.360e+03 0.00e+00 m 0 805 0 810 0 3974 0.790 7.133 21.439 1 U -2.283e+03 0.00e+00 m 0 805 0 810 0 3975 0.794 7.008 23.800 1 U 2.851e+03 0.00e+00 m 0 901 0 906 0 3976 0.794 7.523 23.800 1 U 2.731e+03 0.00e+00 m 0 901 0 906 0 3977 1.502 7.530 27.157 1 U 2.280e+03 0.00e+00 m 0 899 0 898 0 3978 3.321 7.523 29.809 1 U 5.977e+03 0.00e+00 m 0 871 881 870 0 3979 2.650 1.178 42.114 1 U 5.784e+03 0.00e+00 m 0 687 0 685 0 3980 2.650 1.603 42.114 1 U 3.630e+03 0.00e+00 m 0 687 0 685 0 3981 3.795 1.780 55.567 1 U 2.920e+03 0.00e+00 m 0 695 0 694 0 3982 2.878 1.737 42.114 1 U 1.117e+04 0.00e+00 m 0 686 0 685 0 3985 0.468 2.638 23.100 1 U 1.248e+04 0.00e+00 m 0 760 0 762 0 3986 0.468 1.824 23.100 1 U 6.941e+03 0.00e+00 m 0 760 755 762 0 3987 1.620 2.635 33.127 1 U 3.544e+03 0.00e+00 m 0 822 119 820 0 3988 1.620 2.491 33.127 1 U 2.011e+03 0.00e+00 m 0 822 120 820 0 3989 1.708 2.491 33.127 1 U 2.574e+03 0.00e+00 m 0 821 120 820 0 3990 1.708 2.631 33.127 1 U 3.273e+03 0.00e+00 m 0 821 119 820 0 3991 4.517 7.835 57.183 1 U 4.010e+03 0.00e+00 m 0 40 61 39 0 3993 5.313 8.259 61.201 1 U 7.203e+03 0.00e+00 m 0 146 0 145 0 3994 2.632 1.156 42.694 1 U 6.339e+03 0.00e+00 m 0 119 297 118 0 3995 2.632 9.022 42.694 1 U 2.295e+03 0.00e+00 m 0 119 126 118 0 3996 1.511 1.156 44.020 1 U 1.534e+04 0.00e+00 m 0 377 502 374 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 HC 3 'not observed' 16.67 ppm . . . 4.78 . . 31018 2 2 . . H 1 H . 'not observed' 11.907 ppm . . . 4.78 . . 31018 2 3 . . C 13 C-aliphatic 1 folded 41.434 ppm . . . 43 . . 31018 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 31018 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 1H #INAME 2 1Hy #INAME 3 13C 6002 7.068 7.068 133.603 1 U 6.736e+05 0.00e+00 m 0 410 410 414 0 6003 6.828 6.828 133.344 1 U 6.188e+05 0.00e+00 m 0 164 164 168 0 6004 6.766 6.766 132.826 1 U 7.178e+05 0.00e+00 m 0 312 312 316 0 6005 6.846 6.846 131.532 1 U 2.134e+05 0.00e+00 m 0 45 45 49 0 6006 7.138 7.138 131.532 1 U 2.059e+05 0.00e+00 m 0 46 46 51 0 6007 6.800 6.800 131.273 1 U 2.316e+05 0.00e+00 m 0 666 666 670 0 6008 6.414 6.414 131.014 1 U 8.291e+04 0.00e+00 m 0 667 667 672 0 6009 6.648 6.648 129.460 1 U 1.565e+05 0.00e+00 m 0 675 675 674 0 6010 7.240 7.240 129.978 1 U 2.301e+05 0.00e+00 m 0 54 54 53 0 6011 7.201 7.201 127.388 1 U 7.487e+05 0.00e+00 m 0 880 880 875 0 6013 7.358 7.358 114.700 1 U 4.088e+05 0.00e+00 m 0 887 887 883 0 6014 7.080 7.080 124.799 1 U 2.785e+05 0.00e+00 m 0 888 888 886 0 6015 7.002 7.002 122.468 1 U 1.236e+05 0.00e+00 m 0 885 885 882 0 6016 7.521 7.521 120.900 1 U 2.723e+05 0.00e+00 m 0 881 881 877 0 6017 6.769 6.769 118.584 1 U 9.017e+05 0.00e+00 m 0 411 411 416 0 6018 6.633 6.633 118.325 1 U 7.744e+05 0.00e+00 m 0 313 313 318 0 6019 6.676 6.676 118.584 1 U 9.366e+05 0.00e+00 m 0 165 165 170 0 6028 7.138 6.846 131.532 3 U 1.096e+05 0.00e+00 m 0 46 45 51 0 6029 6.846 7.138 131.532 3 U 1.064e+05 0.00e+00 m 0 45 46 49 0 6030 7.240 7.138 129.978 3 U 4.326e+04 0.00e+00 m 0 54 46 53 0 6032 6.846 0.783 131.532 3 U 3.257e+03 0.00e+00 m 0 45 805 49 0 6034 7.240 1.823 129.978 3 U 2.687e+03 0.00e+00 m 0 54 755 53 0 6036 6.846 4.500 131.532 3 U 2.235e+03 0.00e+00 m 0 45 40 49 0 6039 6.846 0.955 131.532 3 U 1.954e+03 0.00e+00 m 0 45 358 49 0 6040 6.846 1.335 131.532 3 U 1.458e+03 0.00e+00 m 0 45 756 49 0 6041 7.138 0.782 131.532 3 U 2.707e+03 0.00e+00 m 0 46 805 51 0 6042 7.138 1.820 131.532 3 U 1.124e+03 0.00e+00 m 0 46 755 51 0 6043 7.240 1.322 129.978 3 U 1.373e+03 0.00e+00 m 0 54 756 53 0 6044 7.240 0.776 129.978 3 U 1.058e+03 0.00e+00 m 0 54 805 53 0 6046 6.828 4.653 133.344 3 U 2.711e+03 0.00e+00 m 0 164 195 168 0 6047 6.676 4.649 118.584 3 U 6.901e+03 0.00e+00 m 0 165 195 170 0 6048 6.676 6.828 118.584 3 U 1.393e+05 0.00e+00 m 0 165 164 170 0 6049 6.828 6.676 133.344 3 U 6.672e+04 0.00e+00 m 0 164 165 168 0 6051 6.828 2.624 133.344 3 U 8.998e+03 0.00e+00 m 0 164 162 168 0 6053 6.828 1.774 133.344 3 U 2.618e+03 0.00e+00 m 0 164 279 168 0 6054 6.828 1.576 133.344 3 U 1.917e+03 0.00e+00 m 0 164 272 168 0 6055 6.828 0.780 133.344 3 U 1.403e+03 0.00e+00 m 0 164 634 168 0 6058 6.676 2.740 118.584 3 U 4.709e+03 0.00e+00 m 0 165 161 170 0 6059 6.676 2.635 118.584 3 U 2.437e+03 0.00e+00 m 0 165 162 170 0 6062 6.676 1.570 118.584 3 U 2.204e+03 0.00e+00 m 0 165 272 170 0 6065 6.676 0.791 118.584 3 U 2.578e+03 0.00e+00 m 0 165 634 170 0 6073 6.800 6.414 131.273 3 U 5.572e+04 0.00e+00 m 0 666 667 670 0 6078 6.633 3.000 118.325 3 U 4.408e+03 0.00e+00 m 0 313 309 318 0 6081 6.766 3.316 132.826 4 U 4.669e+03 0.00e+00 m 0 312 550 316 0 6083 6.766 6.633 132.826 3 U 1.032e+05 0.00e+00 m 0 312 313 316 0 6084 6.633 6.766 118.325 3 U 1.411e+05 0.00e+00 m 0 313 312 318 0 6085 7.068 6.769 133.603 3 U 9.770e+04 0.00e+00 m 0 410 411 414 0 6086 6.769 7.068 118.584 3 U 6.499e+04 0.00e+00 m 0 411 410 416 0 6088 6.769 2.573 118.584 3 U 5.053e+03 0.00e+00 m 0 411 43 416 0 6098 6.766 0.720 132.826 3 U 5.343e+03 0.00e+00 m 0 312 633 316 0 6099 6.766 0.422 132.826 3 U 8.521e+03 0.00e+00 m 0 312 516 316 0 6100 6.633 1.555 118.325 3 U 6.355e+03 0.00e+00 m 0 313 272 318 0 6103 6.633 0.430 118.325 3 U 3.100e+03 0.00e+00 m 0 313 516 318 0 6105 7.068 1.755 133.603 3 U 1.614e+03 0.00e+00 m 0 410 483 414 0 6107 7.068 0.720 133.603 3 U 5.889e+03 0.00e+00 m 0 410 359 414 0 6108 7.068 0.469 133.603 3 U 5.527e+03 0.00e+00 m 0 410 485 414 0 6110 6.769 0.720 118.584 3 U 2.952e+03 0.00e+00 m 0 411 359 416 0 6111 6.769 0.475 118.584 3 U 1.994e+03 0.00e+00 m 0 411 485 416 0 6112 6.800 2.475 131.273 3 U 3.902e+03 0.00e+00 m 0 666 664 670 0 6113 6.800 1.136 131.273 3 U 2.397e+03 0.00e+00 m 0 666 630 670 0 6114 6.800 0.722 131.273 3 U 3.590e+03 0.00e+00 m 0 666 633 670 0 6115 6.800 0.422 131.273 3 U 4.624e+03 0.00e+00 m 0 666 516 670 0 6116 6.414 0.417 131.014 3 U 2.642e+03 0.00e+00 m 0 667 516 672 0 6117 6.648 0.748 129.460 3 U 4.255e+03 0.00e+00 m 0 675 633 674 0 6118 7.201 10.090 127.388 3 U 2.005e+04 0.00e+00 m 0 880 884 875 0 6119 7.358 10.090 114.700 3 U 5.841e+03 0.00e+00 m 0 887 884 883 0 6120 7.002 7.521 122.468 3 U 6.773e+03 0.00e+00 m 0 885 881 882 0 6121 6.648 0.432 129.460 3 U 1.682e+03 0.00e+00 m 0 675 516 674 0 6123 6.414 0.725 131.014 3 U 2.204e+03 0.00e+00 m 0 667 633 672 0 6124 6.414 1.127 131.014 3 U 1.905e+03 0.00e+00 m 0 667 630 672 0 6127 6.414 6.800 131.014 3 U 5.981e+04 0.00e+00 m 0 667 666 672 0 6128 6.414 6.648 131.014 3 U 1.727e+04 0.00e+00 m 0 667 675 672 0 6129 6.648 6.414 129.460 3 U 3.359e+04 0.00e+00 m 0 675 667 674 0 6131 6.800 8.424 131.273 3 U 1.387e+03 0.00e+00 m 0 666 682 670 0 6132 6.800 8.924 131.273 3 U 1.157e+03 0.00e+00 m 0 666 659 670 0 6134 7.080 7.358 124.799 3 U 4.898e+04 0.00e+00 m 0 888 887 886 0 6135 7.358 7.080 114.700 3 U 6.199e+04 0.00e+00 m 0 887 888 883 0 6136 7.080 7.002 124.799 3 U 3.095e+04 0.00e+00 m 0 888 885 886 0 6137 7.002 7.080 122.468 3 U 2.626e+04 0.00e+00 m 0 885 888 882 0 6138 7.521 4.639 120.900 3 U 2.053e+03 0.00e+00 m 0 881 869 877 0 6140 7.521 3.229 120.900 3 U 3.698e+03 0.00e+00 m 0 881 872 877 0 6141 7.201 3.218 127.388 3 U 6.652e+03 0.00e+00 m 0 880 872 875 0 6147 7.201 0.784 127.388 3 U 1.524e+03 0.00e+00 m 0 880 901 875 0 6149 7.521 1.486 120.900 3 U 1.431e+03 0.00e+00 m 0 881 0 877 0 6150 7.521 0.794 120.900 3 U 3.289e+03 0.00e+00 m 0 881 901 877 0 6152 7.358 0.788 114.700 3 U 1.126e+03 0.00e+00 m 0 887 901 883 0 6153 7.080 0.807 124.799 3 U 1.823e+03 0.00e+00 m 0 888 0 886 0 6154 7.002 0.798 122.468 3 U 1.321e+03 0.00e+00 m 0 885 0 882 0 6155 7.201 8.049 127.388 3 U 2.486e+03 0.00e+00 m 0 880 867 875 0 6170 6.766 5.081 132.826 1 U 1.281e+04 0.00e+00 m 0 312 307 316 0 6171 6.766 5.201 132.826 1 U 1.170e+04 0.00e+00 m 0 312 548 316 0 6172 6.766 2.994 132.826 1 U 1.595e+04 0.00e+00 m 0 312 309 316 0 6173 6.766 2.366 132.826 1 U 1.285e+04 0.00e+00 m 0 312 310 316 0 6175 6.766 2.720 132.826 1 U 4.294e+03 0.00e+00 m 0 312 161 316 0 6176 6.766 2.088 132.826 1 U 2.471e+03 0.00e+00 m 0 312 514 316 0 6177 6.766 0.810 132.826 1 U 6.676e+03 0.00e+00 m 0 312 634 316 0 6178 6.633 0.726 118.325 1 U 6.564e+03 0.00e+00 m 0 313 633 318 0 6179 6.633 0.809 118.325 1 U 3.635e+03 0.00e+00 m 0 313 634 318 0 6180 6.633 2.716 118.325 1 U 1.057e+04 0.00e+00 m 0 313 161 318 0 6181 6.633 3.331 118.325 1 U 4.556e+03 0.00e+00 m 0 313 550 318 0 6182 6.633 5.204 118.325 1 U 1.752e+03 0.00e+00 m 0 313 548 318 0 6183 6.633 2.921 118.325 1 U 6.500e+03 0.00e+00 m 0 313 551 318 0 6185 6.828 2.729 133.344 1 U 1.078e+04 0.00e+00 m 0 164 161 168 0 6186 6.828 0.460 133.344 1 U 2.739e+03 0.00e+00 m 0 164 760 168 0 6187 6.828 4.854 133.344 1 U 6.226e+03 0.00e+00 m 0 164 159 168 0 6188 6.676 3.026 118.584 1 U 3.630e+03 0.00e+00 m 0 165 0 170 0 6190 6.676 1.788 118.584 1 U 4.584e+03 0.00e+00 m 0 165 734 170 0 6191 6.676 1.181 118.584 1 U 3.777e+03 0.00e+00 m 0 165 738 170 0 6193 6.769 1.354 118.584 1 U 4.957e+03 0.00e+00 m 0 411 696 416 0 6194 6.828 7.897 133.344 1 U 3.040e+03 0.00e+00 m 0 164 180 168 0 6195 6.828 8.861 133.344 1 U 2.687e+03 0.00e+00 m 0 164 157 168 0 6196 6.766 9.035 132.826 1 U 6.090e+03 0.00e+00 m 0 312 305 316 0 6197 6.766 8.856 132.826 1 U 3.948e+03 0.00e+00 m 0 312 157 316 0 6198 6.766 8.416 132.826 1 U 2.835e+03 0.00e+00 m 0 312 328 316 0 6199 7.068 8.370 133.603 1 U 4.300e+03 0.00e+00 m 0 410 426 414 0 6200 7.068 1.348 133.603 1 U 2.388e+03 0.00e+00 m 0 410 696 414 0 6201 7.068 2.298 133.603 1 U 3.959e+03 0.00e+00 m 0 410 0 414 0 6202 7.068 2.575 133.603 1 U 2.948e+03 0.00e+00 m 0 410 43 414 0 6203 7.068 3.036 133.603 1 U 2.523e+04 0.00e+00 m 0 410 409 414 0 6204 7.068 4.670 133.603 1 U 5.487e+03 0.00e+00 m 0 410 481 414 0 6205 7.068 5.264 133.603 1 U 8.657e+03 0.00e+00 m 0 410 405 414 0 6207 6.846 2.570 131.532 1 U 3.165e+03 0.00e+00 m 0 45 43 49 0 6208 6.846 2.884 131.532 1 U 2.566e+03 0.00e+00 m 0 45 42 49 0 6209 7.138 1.342 131.532 1 U 1.528e+03 0.00e+00 m 0 46 756 51 0 6210 7.138 2.570 131.532 1 U 1.809e+03 0.00e+00 m 0 46 43 51 0 6211 7.138 2.887 131.532 1 U 1.343e+03 0.00e+00 m 0 46 42 51 0 6212 6.828 3.014 133.344 1 U 1.945e+03 0.00e+00 m 0 164 0 168 0 6213 6.828 2.543 133.344 1 U 2.759e+03 0.00e+00 m 0 164 0 168 0 6214 6.769 4.677 118.584 1 U 5.045e+03 0.00e+00 m 0 411 0 416 0 6215 6.769 3.038 118.584 1 U 2.323e+03 0.00e+00 m 0 411 409 416 0 6216 7.068 8.468 133.603 1 U 2.683e+03 0.00e+00 m 0 410 403 414 0 6227 6.648 1.122 129.460 1 U 1.761e+03 0.00e+00 m 0 675 630 674 0 6228 6.800 3.062 131.273 1 U 3.309e+03 0.00e+00 m 0 666 663 670 0 6229 6.800 4.871 131.273 1 U 2.113e+03 0.00e+00 m 0 666 661 670 0 6230 7.201 3.303 127.388 1 U 5.576e+03 0.00e+00 m 0 880 871 875 0 6231 7.521 3.313 120.900 1 U 4.272e+03 0.00e+00 m 0 881 871 877 0 6232 7.201 2.154 127.388 1 U 2.924e+03 0.00e+00 m 0 880 0 875 0 6233 7.358 1.990 114.700 1 U 1.763e+03 0.00e+00 m 0 887 0 883 0 6234 7.358 4.663 114.700 1 U 1.606e+03 0.00e+00 m 0 887 0 883 0 6235 7.521 1.823 120.900 1 U 1.937e+03 0.00e+00 m 0 881 0 877 0 6236 7.201 1.749 127.388 1 U 1.323e+03 0.00e+00 m 0 880 0 875 0 6237 7.521 4.219 120.900 1 U 1.526e+03 0.00e+00 m 0 881 893 877 0 6238 7.068 2.896 133.603 1 U 1.871e+03 0.00e+00 m 0 410 42 414 0 6239 6.676 0.954 118.584 1 U 2.181e+03 0.00e+00 m 0 165 739 170 0 6240 6.766 1.120 132.826 1 U 1.948e+03 0.00e+00 m 0 312 630 316 0 6241 6.633 1.129 118.325 1 U 1.737e+03 0.00e+00 m 0 313 630 318 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 3 'not observed' 16.67 ppm . . . 4.78 . . 31018 3 2 . . H 1 H . 'not observed' 11.907 ppm . . . 4.78 . . 31018 3 3 . . C 13 C-aromatic 1 'not observed' 33.146 ppm . . . 127 . . 31018 3 stop_ save_