data_30974 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30974 _Entry.Title ; Solution structure of the model HEEH mini protein HEEH_TK_rd5_0341 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-04 _Entry.Accession_date 2021-12-04 _Entry.Last_release_date 2022-01-03 _Entry.Original_release_date 2022-01-03 _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 S. Houliston S. . . . 30974 2 T. 'Kim, T.-E.' T. . . . 30974 3 C. Martel C. . . . 30974 4 G. Rocklin G. J. . . 30974 5 C. Arrowsmith C. H. . . 30974 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 30974 'mini protein' . 30974 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30974 spectral_peak_list 2 30974 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 201 30974 '15N chemical shifts' 48 30974 '1H chemical shifts' 323 30974 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 2 . . 2023-02-24 2021-12-04 update BMRB 'update entry citation' 30974 1 . . 2022-09-27 2021-12-04 original author 'original release' 30974 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7T2F 'BMRB Entry Tracking System' 30974 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30974 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36191185 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation ; _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 119 _Citation.Journal_issue 41 _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 e2122676119 _Citation.Page_last e2122676119 _Citation.Year 2022 _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 Tae-Eun Kim T. E. . . 30974 1 2 Kotaro Tsuboyama K. . . . 30974 1 3 Scott Houliston S. . . . 30974 1 4 Cydney Martell C. M. . . 30974 1 5 Claire Phoumyvong C. M. . . 30974 1 6 Alexander Lemak A. . . . 30974 1 7 Hugh Haddox H. K. . . 30974 1 8 Cheryl Arrowsmith C. H. . . 30974 1 9 Gabriel Rocklin G. J. . . 30974 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30974 _Assembly.ID 1 _Assembly.Name 'E3 ubiquitin-protein ligase UHRF1 (E.C.2.3.2.27)' _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 . . . . . . 30974 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30974 _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 ; MGSSHHHHHHSSGLVPRGSH MDLEELEEDLKQALREGRKV NILGIEVTTEEQARRLIEFL RRFI ; _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 64 _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 7480.469 _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 . 30974 1 2 . GLY . 30974 1 3 . SER . 30974 1 4 . SER . 30974 1 5 . HIS . 30974 1 6 . HIS . 30974 1 7 . HIS . 30974 1 8 . HIS . 30974 1 9 . HIS . 30974 1 10 . HIS . 30974 1 11 . SER . 30974 1 12 . SER . 30974 1 13 . GLY . 30974 1 14 . LEU . 30974 1 15 . VAL . 30974 1 16 . PRO . 30974 1 17 . ARG . 30974 1 18 . GLY . 30974 1 19 . SER . 30974 1 20 . HIS . 30974 1 21 . MET . 30974 1 22 . ASP . 30974 1 23 . LEU . 30974 1 24 . GLU . 30974 1 25 . GLU . 30974 1 26 . LEU . 30974 1 27 . GLU . 30974 1 28 . GLU . 30974 1 29 . ASP . 30974 1 30 . LEU . 30974 1 31 . LYS . 30974 1 32 . GLN . 30974 1 33 . ALA . 30974 1 34 . LEU . 30974 1 35 . ARG . 30974 1 36 . GLU . 30974 1 37 . GLY . 30974 1 38 . ARG . 30974 1 39 . LYS . 30974 1 40 . VAL . 30974 1 41 . ASN . 30974 1 42 . ILE . 30974 1 43 . LEU . 30974 1 44 . GLY . 30974 1 45 . ILE . 30974 1 46 . GLU . 30974 1 47 . VAL . 30974 1 48 . THR . 30974 1 49 . THR . 30974 1 50 . GLU . 30974 1 51 . GLU . 30974 1 52 . GLN . 30974 1 53 . ALA . 30974 1 54 . ARG . 30974 1 55 . ARG . 30974 1 56 . LEU . 30974 1 57 . ILE . 30974 1 58 . GLU . 30974 1 59 . PHE . 30974 1 60 . LEU . 30974 1 61 . ARG . 30974 1 62 . ARG . 30974 1 63 . PHE . 30974 1 64 . ILE . 30974 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 30974 1 . GLY 2 2 30974 1 . SER 3 3 30974 1 . SER 4 4 30974 1 . HIS 5 5 30974 1 . HIS 6 6 30974 1 . HIS 7 7 30974 1 . HIS 8 8 30974 1 . HIS 9 9 30974 1 . HIS 10 10 30974 1 . SER 11 11 30974 1 . SER 12 12 30974 1 . GLY 13 13 30974 1 . LEU 14 14 30974 1 . VAL 15 15 30974 1 . PRO 16 16 30974 1 . ARG 17 17 30974 1 . GLY 18 18 30974 1 . SER 19 19 30974 1 . HIS 20 20 30974 1 . MET 21 21 30974 1 . ASP 22 22 30974 1 . LEU 23 23 30974 1 . GLU 24 24 30974 1 . GLU 25 25 30974 1 . LEU 26 26 30974 1 . GLU 27 27 30974 1 . GLU 28 28 30974 1 . ASP 29 29 30974 1 . LEU 30 30 30974 1 . LYS 31 31 30974 1 . GLN 32 32 30974 1 . ALA 33 33 30974 1 . LEU 34 34 30974 1 . ARG 35 35 30974 1 . GLU 36 36 30974 1 . GLY 37 37 30974 1 . ARG 38 38 30974 1 . LYS 39 39 30974 1 . VAL 40 40 30974 1 . ASN 41 41 30974 1 . ILE 42 42 30974 1 . LEU 43 43 30974 1 . GLY 44 44 30974 1 . ILE 45 45 30974 1 . GLU 46 46 30974 1 . VAL 47 47 30974 1 . THR 48 48 30974 1 . THR 49 49 30974 1 . GLU 50 50 30974 1 . GLU 51 51 30974 1 . GLN 52 52 30974 1 . ALA 53 53 30974 1 . ARG 54 54 30974 1 . ARG 55 55 30974 1 . LEU 56 56 30974 1 . ILE 57 57 30974 1 . GLU 58 58 30974 1 . PHE 59 59 30974 1 . LEU 60 60 30974 1 . ARG 61 61 30974 1 . ARG 62 62 30974 1 . PHE 63 63 30974 1 . ILE 64 64 30974 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 30974 _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 . . . . . . . . . . . . . 30974 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 30974 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30974 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30974 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate, 150 mM sodium chloride, 200 mM [U-13C; U-15N] HEEH mini protein TK_rd5_0341, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30974 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30974 1 3 'HEEH mini protein TK_rd5_0341' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 200 . . mM . . . . 30974 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 30974 _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' 150 . mM 30974 1 pH 7.5 . pH 30974 1 pressure 1 . atm 30974 1 temperature 288 . K 30974 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30974 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30974 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30974 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30974 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30974 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30974 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30974 _Software.ID 3 _Software.Type . _Software.Name ABACUS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak and Arrowsmith' . . 30974 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30974 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30974 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30974 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30974 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30974 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30974 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30974 _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' . 600 . . . 30974 1 2 NMR_spectrometer_2 Bruker 'AVANCE II' . 800 . . . 30974 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 30974 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30974 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30974 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30974 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30974 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30974 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30974 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30974 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30974 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30974 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 30974 _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 TMS 'methyl protons' . . . . ppm 0 external indirect 0.25144 . . . . . 30974 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 30974 1 N 15 TMS 'methyl protons' . . . . ppm 0 external indirect 0.1013 . . . . . 30974 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 30974 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30974 1 2 '3D HNCA' . . . 30974 1 3 '3D HNCO' . . . 30974 1 4 '3D HBHA(CO)NH' . . . 30974 1 5 '3D CBCA(CO)NH' . . . 30974 1 6 '2D 1H-13C HSQC aliphatic' . . . 30974 1 7 '3D HCCH-TOCSY' . . . 30974 1 8 '3D 1H-13C NOESY' . . . 30974 1 9 '3D 1H-15N NOESY' . . . 30974 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 12 12 SER HA H 1 4.430 0.04 . 1 . . . . A 12 SER HA . 30974 1 2 . 1 . 1 12 12 SER HB2 H 1 3.871 0.04 . 2 . . . . A 12 SER HB2 . 30974 1 3 . 1 . 1 12 12 SER HB3 H 1 3.871 0.04 . 2 . . . . A 12 SER HB3 . 30974 1 4 . 1 . 1 12 12 SER C C 13 174.927 0.40 . 1 . . . . A 12 SER C . 30974 1 5 . 1 . 1 12 12 SER CA C 13 58.692 0.40 . 1 . . . . A 12 SER CA . 30974 1 6 . 1 . 1 12 12 SER CB C 13 63.893 0.40 . 1 . . . . A 12 SER CB . 30974 1 7 . 1 . 1 13 13 GLY H H 1 8.434 0.04 . 1 . . . . A 13 GLY H . 30974 1 8 . 1 . 1 13 13 GLY HA2 H 1 3.978 0.04 . 2 . . . . A 13 GLY HA2 . 30974 1 9 . 1 . 1 13 13 GLY HA3 H 1 3.898 0.04 . 2 . . . . A 13 GLY HA3 . 30974 1 10 . 1 . 1 13 13 GLY C C 13 173.782 0.40 . 1 . . . . A 13 GLY C . 30974 1 11 . 1 . 1 13 13 GLY CA C 13 45.310 0.40 . 1 . . . . A 13 GLY CA . 30974 1 12 . 1 . 1 13 13 GLY N N 15 110.600 0.40 . 1 . . . . A 13 GLY N . 30974 1 13 . 1 . 1 14 14 LEU H H 1 8.093 0.04 . 1 . . . . A 14 LEU H . 30974 1 14 . 1 . 1 14 14 LEU HA H 1 4.331 0.04 . 1 . . . . A 14 LEU HA . 30974 1 15 . 1 . 1 14 14 LEU HB2 H 1 1.510 0.04 . 2 . . . . A 14 LEU HB2 . 30974 1 16 . 1 . 1 14 14 LEU HB3 H 1 1.510 0.04 . 2 . . . . A 14 LEU HB3 . 30974 1 17 . 1 . 1 14 14 LEU C C 13 176.948 0.40 . 1 . . . . A 14 LEU C . 30974 1 18 . 1 . 1 14 14 LEU CA C 13 54.957 0.40 . 1 . . . . A 14 LEU CA . 30974 1 19 . 1 . 1 14 14 LEU CB C 13 42.434 0.40 . 1 . . . . A 14 LEU CB . 30974 1 20 . 1 . 1 14 14 LEU N N 15 121.349 0.40 . 1 . . . . A 14 LEU N . 30974 1 21 . 1 . 1 15 15 VAL H H 1 8.150 0.04 . 1 . . . . A 15 VAL H . 30974 1 22 . 1 . 1 15 15 VAL N N 15 122.176 0.40 . 1 . . . . A 15 VAL N . 30974 1 23 . 1 . 1 16 16 PRO HA H 1 4.359 0.04 . 1 . . . . A 16 PRO HA . 30974 1 24 . 1 . 1 16 16 PRO HB2 H 1 2.195 0.04 . 2 . . . . A 16 PRO HB2 . 30974 1 25 . 1 . 1 16 16 PRO HB3 H 1 1.837 0.04 . 2 . . . . A 16 PRO HB3 . 30974 1 26 . 1 . 1 16 16 PRO C C 13 176.803 0.40 . 1 . . . . A 16 PRO C . 30974 1 27 . 1 . 1 16 16 PRO CA C 13 62.987 0.40 . 1 . . . . A 16 PRO CA . 30974 1 28 . 1 . 1 16 16 PRO CB C 13 32.131 0.40 . 1 . . . . A 16 PRO CB . 30974 1 29 . 1 . 1 17 17 ARG H H 1 8.587 0.04 . 1 . . . . A 17 ARG H . 30974 1 30 . 1 . 1 17 17 ARG HA H 1 4.249 0.04 . 1 . . . . A 17 ARG HA . 30974 1 31 . 1 . 1 17 17 ARG HB2 H 1 1.802 0.04 . 2 . . . . A 17 ARG HB2 . 30974 1 32 . 1 . 1 17 17 ARG HB3 H 1 1.802 0.04 . 2 . . . . A 17 ARG HB3 . 30974 1 33 . 1 . 1 17 17 ARG C C 13 176.999 0.40 . 1 . . . . A 17 ARG C . 30974 1 34 . 1 . 1 17 17 ARG CA C 13 56.479 0.40 . 1 . . . . A 17 ARG CA . 30974 1 35 . 1 . 1 17 17 ARG CB C 13 30.812 0.40 . 1 . . . . A 17 ARG CB . 30974 1 36 . 1 . 1 17 17 ARG N N 15 122.119 0.40 . 1 . . . . A 17 ARG N . 30974 1 37 . 1 . 1 18 18 GLY H H 1 8.563 0.04 . 1 . . . . A 18 GLY H . 30974 1 38 . 1 . 1 18 18 GLY HA2 H 1 3.948 0.04 . 2 . . . . A 18 GLY HA2 . 30974 1 39 . 1 . 1 18 18 GLY HA3 H 1 3.948 0.04 . 2 . . . . A 18 GLY HA3 . 30974 1 40 . 1 . 1 18 18 GLY C C 13 174.019 0.40 . 1 . . . . A 18 GLY C . 30974 1 41 . 1 . 1 18 18 GLY CA C 13 45.278 0.40 . 1 . . . . A 18 GLY CA . 30974 1 42 . 1 . 1 18 18 GLY N N 15 110.376 0.40 . 1 . . . . A 18 GLY N . 30974 1 43 . 1 . 1 19 19 SER H H 1 8.215 0.04 . 1 . . . . A 19 SER H . 30974 1 44 . 1 . 1 19 19 SER HA H 1 4.460 0.04 . 1 . . . . A 19 SER HA . 30974 1 45 . 1 . 1 19 19 SER HB2 H 1 3.818 0.04 . 2 . . . . A 19 SER HB2 . 30974 1 46 . 1 . 1 19 19 SER HB3 H 1 3.818 0.04 . 2 . . . . A 19 SER HB3 . 30974 1 47 . 1 . 1 19 19 SER C C 13 174.637 0.40 . 1 . . . . A 19 SER C . 30974 1 48 . 1 . 1 19 19 SER CA C 13 58.402 0.40 . 1 . . . . A 19 SER CA . 30974 1 49 . 1 . 1 19 19 SER CB C 13 63.974 0.40 . 1 . . . . A 19 SER CB . 30974 1 50 . 1 . 1 19 19 SER N N 15 115.297 0.40 . 1 . . . . A 19 SER N . 30974 1 51 . 1 . 1 20 20 HIS H H 1 8.535 0.04 . 1 . . . . A 20 HIS H . 30974 1 52 . 1 . 1 20 20 HIS N N 15 118.003 0.40 . 1 . . . . A 20 HIS N . 30974 1 53 . 1 . 1 23 23 LEU HA H 1 4.073 0.04 . 1 . . . . A 23 LEU HA . 30974 1 54 . 1 . 1 23 23 LEU HB2 H 1 1.749 0.04 . 2 . . . . A 23 LEU HB2 . 30974 1 55 . 1 . 1 23 23 LEU HB3 H 1 1.575 0.04 . 2 . . . . A 23 LEU HB3 . 30974 1 56 . 1 . 1 23 23 LEU HD11 H 1 0.938 0.04 . 2 . . . . A 23 LEU HD11 . 30974 1 57 . 1 . 1 23 23 LEU HD12 H 1 0.938 0.04 . 2 . . . . A 23 LEU HD12 . 30974 1 58 . 1 . 1 23 23 LEU HD13 H 1 0.938 0.04 . 2 . . . . A 23 LEU HD13 . 30974 1 59 . 1 . 1 23 23 LEU HD21 H 1 0.881 0.04 . 2 . . . . A 23 LEU HD21 . 30974 1 60 . 1 . 1 23 23 LEU HD22 H 1 0.881 0.04 . 2 . . . . A 23 LEU HD22 . 30974 1 61 . 1 . 1 23 23 LEU HD23 H 1 0.881 0.04 . 2 . . . . A 23 LEU HD23 . 30974 1 62 . 1 . 1 23 23 LEU C C 13 178.480 0.40 . 1 . . . . A 23 LEU C . 30974 1 63 . 1 . 1 23 23 LEU CA C 13 57.734 0.40 . 1 . . . . A 23 LEU CA . 30974 1 64 . 1 . 1 23 23 LEU CB C 13 41.632 0.40 . 1 . . . . A 23 LEU CB . 30974 1 65 . 1 . 1 23 23 LEU CD1 C 13 25.553 0.40 . 2 . . . . A 23 LEU CD1 . 30974 1 66 . 1 . 1 23 23 LEU CD2 C 13 24.766 0.40 . 2 . . . . A 23 LEU CD2 . 30974 1 67 . 1 . 1 24 24 GLU H H 1 8.197 0.04 . 1 . . . . A 24 GLU H . 30974 1 68 . 1 . 1 24 24 GLU HA H 1 4.091 0.04 . 1 . . . . A 24 GLU HA . 30974 1 69 . 1 . 1 24 24 GLU HB2 H 1 2.167 0.04 . 2 . . . . A 24 GLU HB2 . 30974 1 70 . 1 . 1 24 24 GLU HB3 H 1 2.068 0.04 . 2 . . . . A 24 GLU HB3 . 30974 1 71 . 1 . 1 24 24 GLU HG2 H 1 2.355 0.04 . 2 . . . . A 24 GLU HG2 . 30974 1 72 . 1 . 1 24 24 GLU HG3 H 1 2.329 0.04 . 2 . . . . A 24 GLU HG3 . 30974 1 73 . 1 . 1 24 24 GLU C C 13 179.581 0.40 . 1 . . . . A 24 GLU C . 30974 1 74 . 1 . 1 24 24 GLU CA C 13 59.649 0.40 . 1 . . . . A 24 GLU CA . 30974 1 75 . 1 . 1 24 24 GLU CB C 13 29.045 0.40 . 1 . . . . A 24 GLU CB . 30974 1 76 . 1 . 1 24 24 GLU CG C 13 36.636 0.40 . 1 . . . . A 24 GLU CG . 30974 1 77 . 1 . 1 24 24 GLU N N 15 119.303 0.40 . 1 . . . . A 24 GLU N . 30974 1 78 . 1 . 1 25 25 GLU H H 1 8.180 0.04 . 1 . . . . A 25 GLU H . 30974 1 79 . 1 . 1 25 25 GLU HA H 1 4.022 0.04 . 1 . . . . A 25 GLU HA . 30974 1 80 . 1 . 1 25 25 GLU HB2 H 1 2.166 0.04 . 2 . . . . A 25 GLU HB2 . 30974 1 81 . 1 . 1 25 25 GLU HB3 H 1 2.048 0.04 . 2 . . . . A 25 GLU HB3 . 30974 1 82 . 1 . 1 25 25 GLU HG2 H 1 2.458 0.04 . 2 . . . . A 25 GLU HG2 . 30974 1 83 . 1 . 1 25 25 GLU HG3 H 1 2.223 0.04 . 2 . . . . A 25 GLU HG3 . 30974 1 84 . 1 . 1 25 25 GLU C C 13 178.672 0.40 . 1 . . . . A 25 GLU C . 30974 1 85 . 1 . 1 25 25 GLU CA C 13 59.117 0.40 . 1 . . . . A 25 GLU CA . 30974 1 86 . 1 . 1 25 25 GLU CB C 13 29.731 0.40 . 1 . . . . A 25 GLU CB . 30974 1 87 . 1 . 1 25 25 GLU CG C 13 36.602 0.40 . 1 . . . . A 25 GLU CG . 30974 1 88 . 1 . 1 25 25 GLU N N 15 120.784 0.40 . 1 . . . . A 25 GLU N . 30974 1 89 . 1 . 1 26 26 LEU H H 1 7.962 0.04 . 1 . . . . A 26 LEU H . 30974 1 90 . 1 . 1 26 26 LEU HA H 1 4.095 0.04 . 1 . . . . A 26 LEU HA . 30974 1 91 . 1 . 1 26 26 LEU C C 13 177.896 0.40 . 1 . . . . A 26 LEU C . 30974 1 92 . 1 . 1 26 26 LEU CA C 13 57.680 0.40 . 1 . . . . A 26 LEU CA . 30974 1 93 . 1 . 1 26 26 LEU N N 15 120.717 0.40 . 1 . . . . A 26 LEU N . 30974 1 94 . 1 . 1 27 27 GLU H H 1 8.472 0.04 . 1 . . . . A 27 GLU H . 30974 1 95 . 1 . 1 27 27 GLU HA H 1 3.687 0.04 . 1 . . . . A 27 GLU HA . 30974 1 96 . 1 . 1 27 27 GLU HB2 H 1 2.106 0.04 . 2 . . . . A 27 GLU HB2 . 30974 1 97 . 1 . 1 27 27 GLU HB3 H 1 2.245 0.04 . 2 . . . . A 27 GLU HB3 . 30974 1 98 . 1 . 1 27 27 GLU HG2 H 1 2.232 0.04 . 2 . . . . A 27 GLU HG2 . 30974 1 99 . 1 . 1 27 27 GLU HG3 H 1 2.203 0.04 . 2 . . . . A 27 GLU HG3 . 30974 1 100 . 1 . 1 27 27 GLU C C 13 178.346 0.40 . 1 . . . . A 27 GLU C . 30974 1 101 . 1 . 1 27 27 GLU CA C 13 60.388 0.40 . 1 . . . . A 27 GLU CA . 30974 1 102 . 1 . 1 27 27 GLU CB C 13 29.529 0.40 . 1 . . . . A 27 GLU CB . 30974 1 103 . 1 . 1 27 27 GLU CG C 13 36.579 0.40 . 1 . . . . A 27 GLU CG . 30974 1 104 . 1 . 1 27 27 GLU N N 15 118.862 0.40 . 1 . . . . A 27 GLU N . 30974 1 105 . 1 . 1 28 28 GLU H H 1 7.767 0.04 . 1 . . . . A 28 GLU H . 30974 1 106 . 1 . 1 28 28 GLU HA H 1 4.123 0.04 . 1 . . . . A 28 GLU HA . 30974 1 107 . 1 . 1 28 28 GLU HB2 H 1 2.125 0.04 . 2 . . . . A 28 GLU HB2 . 30974 1 108 . 1 . 1 28 28 GLU HB3 H 1 2.125 0.04 . 2 . . . . A 28 GLU HB3 . 30974 1 109 . 1 . 1 28 28 GLU HG2 H 1 2.417 0.04 . 2 . . . . A 28 GLU HG2 . 30974 1 110 . 1 . 1 28 28 GLU HG3 H 1 2.355 0.04 . 2 . . . . A 28 GLU HG3 . 30974 1 111 . 1 . 1 28 28 GLU C C 13 178.600 0.40 . 1 . . . . A 28 GLU C . 30974 1 112 . 1 . 1 28 28 GLU CA C 13 59.030 0.40 . 1 . . . . A 28 GLU CA . 30974 1 113 . 1 . 1 28 28 GLU CB C 13 29.319 0.40 . 1 . . . . A 28 GLU CB . 30974 1 114 . 1 . 1 28 28 GLU CG C 13 35.267 0.40 . 1 . . . . A 28 GLU CG . 30974 1 115 . 1 . 1 28 28 GLU N N 15 118.102 0.40 . 1 . . . . A 28 GLU N . 30974 1 116 . 1 . 1 29 29 ASP H H 1 8.490 0.04 . 1 . . . . A 29 ASP H . 30974 1 117 . 1 . 1 29 29 ASP HA H 1 4.432 0.04 . 1 . . . . A 29 ASP HA . 30974 1 118 . 1 . 1 29 29 ASP HB2 H 1 2.903 0.04 . 2 . . . . A 29 ASP HB2 . 30974 1 119 . 1 . 1 29 29 ASP HB3 H 1 2.691 0.04 . 2 . . . . A 29 ASP HB3 . 30974 1 120 . 1 . 1 29 29 ASP C C 13 179.727 0.40 . 1 . . . . A 29 ASP C . 30974 1 121 . 1 . 1 29 29 ASP CA C 13 57.519 0.40 . 1 . . . . A 29 ASP CA . 30974 1 122 . 1 . 1 29 29 ASP CB C 13 40.907 0.40 . 1 . . . . A 29 ASP CB . 30974 1 123 . 1 . 1 29 29 ASP N N 15 121.692 0.40 . 1 . . . . A 29 ASP N . 30974 1 124 . 1 . 1 30 30 LEU H H 1 8.674 0.04 . 1 . . . . A 30 LEU H . 30974 1 125 . 1 . 1 30 30 LEU HA H 1 3.974 0.04 . 1 . . . . A 30 LEU HA . 30974 1 126 . 1 . 1 30 30 LEU HB2 H 1 2.016 0.04 . 2 . . . . A 30 LEU HB2 . 30974 1 127 . 1 . 1 30 30 LEU HB3 H 1 1.294 0.04 . 2 . . . . A 30 LEU HB3 . 30974 1 128 . 1 . 1 30 30 LEU HG H 1 1.925 0.04 . 1 . . . . A 30 LEU HG . 30974 1 129 . 1 . 1 30 30 LEU HD11 H 1 0.821 0.04 . 2 . . . . A 30 LEU HD11 . 30974 1 130 . 1 . 1 30 30 LEU HD12 H 1 0.821 0.04 . 2 . . . . A 30 LEU HD12 . 30974 1 131 . 1 . 1 30 30 LEU HD13 H 1 0.821 0.04 . 2 . . . . A 30 LEU HD13 . 30974 1 132 . 1 . 1 30 30 LEU HD21 H 1 0.773 0.04 . 2 . . . . A 30 LEU HD21 . 30974 1 133 . 1 . 1 30 30 LEU HD22 H 1 0.773 0.04 . 2 . . . . A 30 LEU HD22 . 30974 1 134 . 1 . 1 30 30 LEU HD23 H 1 0.773 0.04 . 2 . . . . A 30 LEU HD23 . 30974 1 135 . 1 . 1 30 30 LEU C C 13 178.207 0.40 . 1 . . . . A 30 LEU C . 30974 1 136 . 1 . 1 30 30 LEU CA C 13 57.842 0.40 . 1 . . . . A 30 LEU CA . 30974 1 137 . 1 . 1 30 30 LEU CB C 13 41.697 0.40 . 1 . . . . A 30 LEU CB . 30974 1 138 . 1 . 1 30 30 LEU CG C 13 26.477 0.40 . 1 . . . . A 30 LEU CG . 30974 1 139 . 1 . 1 30 30 LEU CD1 C 13 25.773 0.40 . 2 . . . . A 30 LEU CD1 . 30974 1 140 . 1 . 1 30 30 LEU CD2 C 13 23.449 0.40 . 2 . . . . A 30 LEU CD2 . 30974 1 141 . 1 . 1 30 30 LEU N N 15 119.651 0.40 . 1 . . . . A 30 LEU N . 30974 1 142 . 1 . 1 31 31 LYS H H 1 8.075 0.04 . 1 . . . . A 31 LYS H . 30974 1 143 . 1 . 1 31 31 LYS HA H 1 3.844 0.04 . 1 . . . . A 31 LYS HA . 30974 1 144 . 1 . 1 31 31 LYS HB2 H 1 1.948 0.04 . 2 . . . . A 31 LYS HB2 . 30974 1 145 . 1 . 1 31 31 LYS HB3 H 1 1.835 0.04 . 2 . . . . A 31 LYS HB3 . 30974 1 146 . 1 . 1 31 31 LYS C C 13 179.625 0.40 . 1 . . . . A 31 LYS C . 30974 1 147 . 1 . 1 31 31 LYS CA C 13 60.175 0.40 . 1 . . . . A 31 LYS CA . 30974 1 148 . 1 . 1 31 31 LYS CB C 13 32.234 0.40 . 1 . . . . A 31 LYS CB . 30974 1 149 . 1 . 1 31 31 LYS N N 15 117.712 0.40 . 1 . . . . A 31 LYS N . 30974 1 150 . 1 . 1 32 32 GLN H H 1 8.308 0.04 . 1 . . . . A 32 GLN H . 30974 1 151 . 1 . 1 32 32 GLN HA H 1 3.937 0.04 . 1 . . . . A 32 GLN HA . 30974 1 152 . 1 . 1 32 32 GLN HB2 H 1 2.108 0.04 . 2 . . . . A 32 GLN HB2 . 30974 1 153 . 1 . 1 32 32 GLN HB3 H 1 2.170 0.04 . 2 . . . . A 32 GLN HB3 . 30974 1 154 . 1 . 1 32 32 GLN HG2 H 1 2.423 0.04 . 2 . . . . A 32 GLN HG2 . 30974 1 155 . 1 . 1 32 32 GLN HG3 H 1 2.405 0.04 . 2 . . . . A 32 GLN HG3 . 30974 1 156 . 1 . 1 32 32 GLN C C 13 177.669 0.40 . 1 . . . . A 32 GLN C . 30974 1 157 . 1 . 1 32 32 GLN CA C 13 58.583 0.40 . 1 . . . . A 32 GLN CA . 30974 1 158 . 1 . 1 32 32 GLN CB C 13 27.595 0.40 . 1 . . . . A 32 GLN CB . 30974 1 159 . 1 . 1 32 32 GLN CG C 13 32.831 0.40 . 1 . . . . A 32 GLN CG . 30974 1 160 . 1 . 1 32 32 GLN N N 15 118.573 0.40 . 1 . . . . A 32 GLN N . 30974 1 161 . 1 . 1 33 33 ALA H H 1 8.058 0.04 . 1 . . . . A 33 ALA H . 30974 1 162 . 1 . 1 33 33 ALA HA H 1 3.903 0.04 . 1 . . . . A 33 ALA HA . 30974 1 163 . 1 . 1 33 33 ALA HB1 H 1 1.347 0.04 . 1 . . . . A 33 ALA HB1 . 30974 1 164 . 1 . 1 33 33 ALA HB2 H 1 1.347 0.04 . 1 . . . . A 33 ALA HB2 . 30974 1 165 . 1 . 1 33 33 ALA HB3 H 1 1.347 0.04 . 1 . . . . A 33 ALA HB3 . 30974 1 166 . 1 . 1 33 33 ALA C C 13 180.051 0.40 . 1 . . . . A 33 ALA C . 30974 1 167 . 1 . 1 33 33 ALA CA C 13 55.473 0.40 . 1 . . . . A 33 ALA CA . 30974 1 168 . 1 . 1 33 33 ALA CB C 13 18.112 0.40 . 1 . . . . A 33 ALA CB . 30974 1 169 . 1 . 1 33 33 ALA N N 15 121.625 0.40 . 1 . . . . A 33 ALA N . 30974 1 170 . 1 . 1 34 34 LEU H H 1 8.098 0.04 . 1 . . . . A 34 LEU H . 30974 1 171 . 1 . 1 34 34 LEU HA H 1 4.150 0.04 . 1 . . . . A 34 LEU HA . 30974 1 172 . 1 . 1 34 34 LEU HB2 H 1 1.873 0.04 . 2 . . . . A 34 LEU HB2 . 30974 1 173 . 1 . 1 34 34 LEU HB3 H 1 1.416 0.04 . 2 . . . . A 34 LEU HB3 . 30974 1 174 . 1 . 1 34 34 LEU HG H 1 1.827 0.04 . 1 . . . . A 34 LEU HG . 30974 1 175 . 1 . 1 34 34 LEU HD11 H 1 0.660 0.04 . 2 . . . . A 34 LEU HD11 . 30974 1 176 . 1 . 1 34 34 LEU HD12 H 1 0.660 0.04 . 2 . . . . A 34 LEU HD12 . 30974 1 177 . 1 . 1 34 34 LEU HD13 H 1 0.660 0.04 . 2 . . . . A 34 LEU HD13 . 30974 1 178 . 1 . 1 34 34 LEU HD21 H 1 0.711 0.04 . 2 . . . . A 34 LEU HD21 . 30974 1 179 . 1 . 1 34 34 LEU HD22 H 1 0.711 0.04 . 2 . . . . A 34 LEU HD22 . 30974 1 180 . 1 . 1 34 34 LEU HD23 H 1 0.711 0.04 . 2 . . . . A 34 LEU HD23 . 30974 1 181 . 1 . 1 34 34 LEU C C 13 181.780 0.40 . 1 . . . . A 34 LEU C . 30974 1 182 . 1 . 1 34 34 LEU CA C 13 57.468 0.40 . 1 . . . . A 34 LEU CA . 30974 1 183 . 1 . 1 34 34 LEU CB C 13 40.922 0.40 . 1 . . . . A 34 LEU CB . 30974 1 184 . 1 . 1 34 34 LEU CG C 13 26.850 0.40 . 1 . . . . A 34 LEU CG . 30974 1 185 . 1 . 1 34 34 LEU CD1 C 13 25.243 0.40 . 2 . . . . A 34 LEU CD1 . 30974 1 186 . 1 . 1 34 34 LEU CD2 C 13 22.508 0.40 . 2 . . . . A 34 LEU CD2 . 30974 1 187 . 1 . 1 34 34 LEU N N 15 116.965 0.40 . 1 . . . . A 34 LEU N . 30974 1 188 . 1 . 1 35 35 ARG H H 1 8.016 0.04 . 1 . . . . A 35 ARG H . 30974 1 189 . 1 . 1 35 35 ARG HA H 1 4.136 0.04 . 1 . . . . A 35 ARG HA . 30974 1 190 . 1 . 1 35 35 ARG HB2 H 1 2.012 0.04 . 2 . . . . A 35 ARG HB2 . 30974 1 191 . 1 . 1 35 35 ARG HB3 H 1 2.012 0.04 . 2 . . . . A 35 ARG HB3 . 30974 1 192 . 1 . 1 35 35 ARG HG2 H 1 1.843 0.04 . 2 . . . . A 35 ARG HG2 . 30974 1 193 . 1 . 1 35 35 ARG HG3 H 1 1.718 0.04 . 2 . . . . A 35 ARG HG3 . 30974 1 194 . 1 . 1 35 35 ARG HD2 H 1 3.247 0.04 . 2 . . . . A 35 ARG HD2 . 30974 1 195 . 1 . 1 35 35 ARG HD3 H 1 3.170 0.04 . 2 . . . . A 35 ARG HD3 . 30974 1 196 . 1 . 1 35 35 ARG C C 13 178.377 0.40 . 1 . . . . A 35 ARG C . 30974 1 197 . 1 . 1 35 35 ARG CA C 13 58.970 0.40 . 1 . . . . A 35 ARG CA . 30974 1 198 . 1 . 1 35 35 ARG CB C 13 30.008 0.40 . 1 . . . . A 35 ARG CB . 30974 1 199 . 1 . 1 35 35 ARG CG C 13 27.727 0.40 . 1 . . . . A 35 ARG CG . 30974 1 200 . 1 . 1 35 35 ARG CD C 13 43.332 0.40 . 1 . . . . A 35 ARG CD . 30974 1 201 . 1 . 1 35 35 ARG N N 15 121.075 0.40 . 1 . . . . A 35 ARG N . 30974 1 202 . 1 . 1 36 36 GLU H H 1 7.676 0.04 . 1 . . . . A 36 GLU H . 30974 1 203 . 1 . 1 36 36 GLU HA H 1 4.322 0.04 . 1 . . . . A 36 GLU HA . 30974 1 204 . 1 . 1 36 36 GLU HB2 H 1 2.093 0.04 . 2 . . . . A 36 GLU HB2 . 30974 1 205 . 1 . 1 36 36 GLU HB3 H 1 2.249 0.04 . 2 . . . . A 36 GLU HB3 . 30974 1 206 . 1 . 1 36 36 GLU HG2 H 1 2.581 0.04 . 2 . . . . A 36 GLU HG2 . 30974 1 207 . 1 . 1 36 36 GLU HG3 H 1 2.339 0.04 . 2 . . . . A 36 GLU HG3 . 30974 1 208 . 1 . 1 36 36 GLU C C 13 176.648 0.40 . 1 . . . . A 36 GLU C . 30974 1 209 . 1 . 1 36 36 GLU CA C 13 56.037 0.40 . 1 . . . . A 36 GLU CA . 30974 1 210 . 1 . 1 36 36 GLU CB C 13 30.163 0.40 . 1 . . . . A 36 GLU CB . 30974 1 211 . 1 . 1 36 36 GLU CG C 13 36.241 0.40 . 1 . . . . A 36 GLU CG . 30974 1 212 . 1 . 1 36 36 GLU N N 15 116.769 0.40 . 1 . . . . A 36 GLU N . 30974 1 213 . 1 . 1 37 37 GLY H H 1 7.912 0.04 . 1 . . . . A 37 GLY H . 30974 1 214 . 1 . 1 37 37 GLY HA2 H 1 4.091 0.04 . 2 . . . . A 37 GLY HA2 . 30974 1 215 . 1 . 1 37 37 GLY HA3 H 1 3.895 0.04 . 2 . . . . A 37 GLY HA3 . 30974 1 216 . 1 . 1 37 37 GLY C C 13 174.575 0.40 . 1 . . . . A 37 GLY C . 30974 1 217 . 1 . 1 37 37 GLY CA C 13 45.955 0.40 . 1 . . . . A 37 GLY CA . 30974 1 218 . 1 . 1 37 37 GLY N N 15 108.725 0.40 . 1 . . . . A 37 GLY N . 30974 1 219 . 1 . 1 38 38 ARG H H 1 8.155 0.04 . 1 . . . . A 38 ARG H . 30974 1 220 . 1 . 1 38 38 ARG HA H 1 4.450 0.04 . 1 . . . . A 38 ARG HA . 30974 1 221 . 1 . 1 38 38 ARG HB2 H 1 1.820 0.04 . 2 . . . . A 38 ARG HB2 . 30974 1 222 . 1 . 1 38 38 ARG HB3 H 1 1.647 0.04 . 2 . . . . A 38 ARG HB3 . 30974 1 223 . 1 . 1 38 38 ARG HG2 H 1 1.585 0.04 . 2 . . . . A 38 ARG HG2 . 30974 1 224 . 1 . 1 38 38 ARG HG3 H 1 1.585 0.04 . 2 . . . . A 38 ARG HG3 . 30974 1 225 . 1 . 1 38 38 ARG HD2 H 1 3.219 0.04 . 2 . . . . A 38 ARG HD2 . 30974 1 226 . 1 . 1 38 38 ARG HD3 H 1 3.219 0.04 . 2 . . . . A 38 ARG HD3 . 30974 1 227 . 1 . 1 38 38 ARG C C 13 174.938 0.40 . 1 . . . . A 38 ARG C . 30974 1 228 . 1 . 1 38 38 ARG CA C 13 55.078 0.40 . 1 . . . . A 38 ARG CA . 30974 1 229 . 1 . 1 38 38 ARG CB C 13 31.940 0.40 . 1 . . . . A 38 ARG CB . 30974 1 230 . 1 . 1 38 38 ARG CG C 13 28.457 0.40 . 1 . . . . A 38 ARG CG . 30974 1 231 . 1 . 1 38 38 ARG CD C 13 43.488 0.40 . 1 . . . . A 38 ARG CD . 30974 1 232 . 1 . 1 38 38 ARG N N 15 120.002 0.40 . 1 . . . . A 38 ARG N . 30974 1 233 . 1 . 1 39 39 LYS H H 1 8.230 0.04 . 1 . . . . A 39 LYS H . 30974 1 234 . 1 . 1 39 39 LYS HA H 1 4.544 0.04 . 1 . . . . A 39 LYS HA . 30974 1 235 . 1 . 1 39 39 LYS HB2 H 1 1.653 0.04 . 2 . . . . A 39 LYS HB2 . 30974 1 236 . 1 . 1 39 39 LYS HB3 H 1 1.619 0.04 . 2 . . . . A 39 LYS HB3 . 30974 1 237 . 1 . 1 39 39 LYS HG2 H 1 1.391 0.04 . 2 . . . . A 39 LYS HG2 . 30974 1 238 . 1 . 1 39 39 LYS HG3 H 1 1.297 0.04 . 2 . . . . A 39 LYS HG3 . 30974 1 239 . 1 . 1 39 39 LYS HD2 H 1 1.594 0.04 . 2 . . . . A 39 LYS HD2 . 30974 1 240 . 1 . 1 39 39 LYS HD3 H 1 1.553 0.04 . 2 . . . . A 39 LYS HD3 . 30974 1 241 . 1 . 1 39 39 LYS HE2 H 1 2.929 0.04 . 2 . . . . A 39 LYS HE2 . 30974 1 242 . 1 . 1 39 39 LYS HE3 H 1 2.929 0.04 . 2 . . . . A 39 LYS HE3 . 30974 1 243 . 1 . 1 39 39 LYS C C 13 176.261 0.40 . 1 . . . . A 39 LYS C . 30974 1 244 . 1 . 1 39 39 LYS CA C 13 55.332 0.40 . 1 . . . . A 39 LYS CA . 30974 1 245 . 1 . 1 39 39 LYS CB C 13 33.534 0.40 . 1 . . . . A 39 LYS CB . 30974 1 246 . 1 . 1 39 39 LYS CG C 13 24.488 0.40 . 1 . . . . A 39 LYS CG . 30974 1 247 . 1 . 1 39 39 LYS CD C 13 29.120 0.40 . 1 . . . . A 39 LYS CD . 30974 1 248 . 1 . 1 39 39 LYS CE C 13 41.796 0.40 . 1 . . . . A 39 LYS CE . 30974 1 249 . 1 . 1 39 39 LYS N N 15 120.516 0.40 . 1 . . . . A 39 LYS N . 30974 1 250 . 1 . 1 40 40 VAL H H 1 8.352 0.04 . 1 . . . . A 40 VAL H . 30974 1 251 . 1 . 1 40 40 VAL HA H 1 4.286 0.04 . 1 . . . . A 40 VAL HA . 30974 1 252 . 1 . 1 40 40 VAL HB H 1 1.861 0.04 . 1 . . . . A 40 VAL HB . 30974 1 253 . 1 . 1 40 40 VAL HG11 H 1 0.772 0.04 . 2 . . . . A 40 VAL HG11 . 30974 1 254 . 1 . 1 40 40 VAL HG12 H 1 0.772 0.04 . 2 . . . . A 40 VAL HG12 . 30974 1 255 . 1 . 1 40 40 VAL HG13 H 1 0.772 0.04 . 2 . . . . A 40 VAL HG13 . 30974 1 256 . 1 . 1 40 40 VAL C C 13 173.656 0.40 . 1 . . . . A 40 VAL C . 30974 1 257 . 1 . 1 40 40 VAL CA C 13 61.297 0.40 . 1 . . . . A 40 VAL CA . 30974 1 258 . 1 . 1 40 40 VAL CB C 13 34.471 0.40 . 1 . . . . A 40 VAL CB . 30974 1 259 . 1 . 1 40 40 VAL CG1 C 13 21.127 0.40 . 2 . . . . A 40 VAL CG1 . 30974 1 260 . 1 . 1 40 40 VAL N N 15 122.637 0.40 . 1 . . . . A 40 VAL N . 30974 1 261 . 1 . 1 41 41 ASN H H 1 8.550 0.04 . 1 . . . . A 41 ASN H . 30974 1 262 . 1 . 1 41 41 ASN HA H 1 5.375 0.04 . 1 . . . . A 41 ASN HA . 30974 1 263 . 1 . 1 41 41 ASN HB2 H 1 2.612 0.04 . 2 . . . . A 41 ASN HB2 . 30974 1 264 . 1 . 1 41 41 ASN HB3 H 1 2.405 0.04 . 2 . . . . A 41 ASN HB3 . 30974 1 265 . 1 . 1 41 41 ASN C C 13 174.179 0.40 . 1 . . . . A 41 ASN C . 30974 1 266 . 1 . 1 41 41 ASN CA C 13 52.355 0.40 . 1 . . . . A 41 ASN CA . 30974 1 267 . 1 . 1 41 41 ASN CB C 13 40.211 0.40 . 1 . . . . A 41 ASN CB . 30974 1 268 . 1 . 1 41 41 ASN N N 15 126.095 0.40 . 1 . . . . A 41 ASN N . 30974 1 269 . 1 . 1 42 42 ILE H H 1 8.870 0.04 . 1 . . . . A 42 ILE H . 30974 1 270 . 1 . 1 42 42 ILE HA H 1 4.396 0.04 . 1 . . . . A 42 ILE HA . 30974 1 271 . 1 . 1 42 42 ILE HB H 1 1.677 0.04 . 1 . . . . A 42 ILE HB . 30974 1 272 . 1 . 1 42 42 ILE HG12 H 1 1.356 0.04 . 2 . . . . A 42 ILE HG12 . 30974 1 273 . 1 . 1 42 42 ILE HG13 H 1 1.074 0.04 . 2 . . . . A 42 ILE HG13 . 30974 1 274 . 1 . 1 42 42 ILE HG21 H 1 0.726 0.04 . 1 . . . . A 42 ILE HG21 . 30974 1 275 . 1 . 1 42 42 ILE HG22 H 1 0.726 0.04 . 1 . . . . A 42 ILE HG22 . 30974 1 276 . 1 . 1 42 42 ILE HG23 H 1 0.726 0.04 . 1 . . . . A 42 ILE HG23 . 30974 1 277 . 1 . 1 42 42 ILE HD11 H 1 0.762 0.04 . 1 . . . . A 42 ILE HD11 . 30974 1 278 . 1 . 1 42 42 ILE HD12 H 1 0.762 0.04 . 1 . . . . A 42 ILE HD12 . 30974 1 279 . 1 . 1 42 42 ILE HD13 H 1 0.762 0.04 . 1 . . . . A 42 ILE HD13 . 30974 1 280 . 1 . 1 42 42 ILE C C 13 173.476 0.40 . 1 . . . . A 42 ILE C . 30974 1 281 . 1 . 1 42 42 ILE CA C 13 58.603 0.40 . 1 . . . . A 42 ILE CA . 30974 1 282 . 1 . 1 42 42 ILE CB C 13 39.624 0.40 . 1 . . . . A 42 ILE CB . 30974 1 283 . 1 . 1 42 42 ILE CG1 C 13 27.188 0.40 . 1 . . . . A 42 ILE CG1 . 30974 1 284 . 1 . 1 42 42 ILE CG2 C 13 16.811 0.40 . 1 . . . . A 42 ILE CG2 . 30974 1 285 . 1 . 1 42 42 ILE CD1 C 13 13.455 0.40 . 1 . . . . A 42 ILE CD1 . 30974 1 286 . 1 . 1 42 42 ILE N N 15 125.219 0.40 . 1 . . . . A 42 ILE N . 30974 1 287 . 1 . 1 43 43 LEU H H 1 9.033 0.04 . 1 . . . . A 43 LEU H . 30974 1 288 . 1 . 1 43 43 LEU HA H 1 3.716 0.04 . 1 . . . . A 43 LEU HA . 30974 1 289 . 1 . 1 43 43 LEU HB2 H 1 1.800 0.04 . 2 . . . . A 43 LEU HB2 . 30974 1 290 . 1 . 1 43 43 LEU HB3 H 1 1.711 0.04 . 2 . . . . A 43 LEU HB3 . 30974 1 291 . 1 . 1 43 43 LEU HG H 1 1.612 0.04 . 1 . . . . A 43 LEU HG . 30974 1 292 . 1 . 1 43 43 LEU HD11 H 1 0.785 0.04 . 2 . . . . A 43 LEU HD11 . 30974 1 293 . 1 . 1 43 43 LEU HD12 H 1 0.785 0.04 . 2 . . . . A 43 LEU HD12 . 30974 1 294 . 1 . 1 43 43 LEU HD13 H 1 0.785 0.04 . 2 . . . . A 43 LEU HD13 . 30974 1 295 . 1 . 1 43 43 LEU HD21 H 1 0.798 0.04 . 2 . . . . A 43 LEU HD21 . 30974 1 296 . 1 . 1 43 43 LEU HD22 H 1 0.798 0.04 . 2 . . . . A 43 LEU HD22 . 30974 1 297 . 1 . 1 43 43 LEU HD23 H 1 0.798 0.04 . 2 . . . . A 43 LEU HD23 . 30974 1 298 . 1 . 1 43 43 LEU C C 13 173.834 0.40 . 1 . . . . A 43 LEU C . 30974 1 299 . 1 . 1 43 43 LEU CA C 13 55.546 0.40 . 1 . . . . A 43 LEU CA . 30974 1 300 . 1 . 1 43 43 LEU CB C 13 39.391 0.40 . 1 . . . . A 43 LEU CB . 30974 1 301 . 1 . 1 43 43 LEU CG C 13 26.875 0.40 . 1 . . . . A 43 LEU CG . 30974 1 302 . 1 . 1 43 43 LEU CD1 C 13 26.324 0.40 . 2 . . . . A 43 LEU CD1 . 30974 1 303 . 1 . 1 43 43 LEU CD2 C 13 23.238 0.40 . 2 . . . . A 43 LEU CD2 . 30974 1 304 . 1 . 1 43 43 LEU N N 15 121.953 0.40 . 1 . . . . A 43 LEU N . 30974 1 305 . 1 . 1 44 44 GLY H H 1 7.858 0.04 . 1 . . . . A 44 GLY H . 30974 1 306 . 1 . 1 44 44 GLY HA2 H 1 4.136 0.04 . 2 . . . . A 44 GLY HA2 . 30974 1 307 . 1 . 1 44 44 GLY HA3 H 1 3.581 0.04 . 2 . . . . A 44 GLY HA3 . 30974 1 308 . 1 . 1 44 44 GLY C C 13 174.613 0.40 . 1 . . . . A 44 GLY C . 30974 1 309 . 1 . 1 44 44 GLY CA C 13 45.195 0.40 . 1 . . . . A 44 GLY CA . 30974 1 310 . 1 . 1 44 44 GLY N N 15 122.126 0.40 . 1 . . . . A 44 GLY N . 30974 1 311 . 1 . 1 45 45 ILE H H 1 8.199 0.04 . 1 . . . . A 45 ILE H . 30974 1 312 . 1 . 1 45 45 ILE HA H 1 4.292 0.04 . 1 . . . . A 45 ILE HA . 30974 1 313 . 1 . 1 45 45 ILE HB H 1 1.987 0.04 . 1 . . . . A 45 ILE HB . 30974 1 314 . 1 . 1 45 45 ILE HG12 H 1 1.348 0.04 . 2 . . . . A 45 ILE HG12 . 30974 1 315 . 1 . 1 45 45 ILE HG13 H 1 1.033 0.04 . 2 . . . . A 45 ILE HG13 . 30974 1 316 . 1 . 1 45 45 ILE HG21 H 1 0.756 0.04 . 1 . . . . A 45 ILE HG21 . 30974 1 317 . 1 . 1 45 45 ILE HG22 H 1 0.756 0.04 . 1 . . . . A 45 ILE HG22 . 30974 1 318 . 1 . 1 45 45 ILE HG23 H 1 0.756 0.04 . 1 . . . . A 45 ILE HG23 . 30974 1 319 . 1 . 1 45 45 ILE HD11 H 1 0.440 0.04 . 1 . . . . A 45 ILE HD11 . 30974 1 320 . 1 . 1 45 45 ILE HD12 H 1 0.440 0.04 . 1 . . . . A 45 ILE HD12 . 30974 1 321 . 1 . 1 45 45 ILE HD13 H 1 0.440 0.04 . 1 . . . . A 45 ILE HD13 . 30974 1 322 . 1 . 1 45 45 ILE C C 13 174.950 0.40 . 1 . . . . A 45 ILE C . 30974 1 323 . 1 . 1 45 45 ILE CA C 13 59.590 0.40 . 1 . . . . A 45 ILE CA . 30974 1 324 . 1 . 1 45 45 ILE CB C 13 39.653 0.40 . 1 . . . . A 45 ILE CB . 30974 1 325 . 1 . 1 45 45 ILE CG1 C 13 26.880 0.40 . 1 . . . . A 45 ILE CG1 . 30974 1 326 . 1 . 1 45 45 ILE CG2 C 13 18.619 0.40 . 1 . . . . A 45 ILE CG2 . 30974 1 327 . 1 . 1 45 45 ILE CD1 C 13 13.986 0.40 . 1 . . . . A 45 ILE CD1 . 30974 1 328 . 1 . 1 45 45 ILE N N 15 120.857 0.40 . 1 . . . . A 45 ILE N . 30974 1 329 . 1 . 1 46 46 GLU H H 1 8.428 0.04 . 1 . . . . A 46 GLU H . 30974 1 330 . 1 . 1 46 46 GLU HA H 1 4.763 0.04 . 1 . . . . A 46 GLU HA . 30974 1 331 . 1 . 1 46 46 GLU HB2 H 1 1.854 0.04 . 2 . . . . A 46 GLU HB2 . 30974 1 332 . 1 . 1 46 46 GLU HB3 H 1 1.854 0.04 . 2 . . . . A 46 GLU HB3 . 30974 1 333 . 1 . 1 46 46 GLU HG2 H 1 2.130 0.04 . 2 . . . . A 46 GLU HG2 . 30974 1 334 . 1 . 1 46 46 GLU HG3 H 1 1.965 0.04 . 2 . . . . A 46 GLU HG3 . 30974 1 335 . 1 . 1 46 46 GLU C C 13 175.276 0.40 . 1 . . . . A 46 GLU C . 30974 1 336 . 1 . 1 46 46 GLU CA C 13 55.238 0.40 . 1 . . . . A 46 GLU CA . 30974 1 337 . 1 . 1 46 46 GLU CB C 13 30.814 0.40 . 1 . . . . A 46 GLU CB . 30974 1 338 . 1 . 1 46 46 GLU CG C 13 36.794 0.40 . 1 . . . . A 46 GLU CG . 30974 1 339 . 1 . 1 46 46 GLU N N 15 124.597 0.40 . 1 . . . . A 46 GLU N . 30974 1 340 . 1 . 1 47 47 VAL H H 1 8.897 0.04 . 1 . . . . A 47 VAL H . 30974 1 341 . 1 . 1 47 47 VAL HA H 1 4.219 0.04 . 1 . . . . A 47 VAL HA . 30974 1 342 . 1 . 1 47 47 VAL HB H 1 2.001 0.04 . 1 . . . . A 47 VAL HB . 30974 1 343 . 1 . 1 47 47 VAL HG11 H 1 0.966 0.04 . 2 . . . . A 47 VAL HG11 . 30974 1 344 . 1 . 1 47 47 VAL HG12 H 1 0.966 0.04 . 2 . . . . A 47 VAL HG12 . 30974 1 345 . 1 . 1 47 47 VAL HG13 H 1 0.966 0.04 . 2 . . . . A 47 VAL HG13 . 30974 1 346 . 1 . 1 47 47 VAL HG21 H 1 0.770 0.04 . 2 . . . . A 47 VAL HG21 . 30974 1 347 . 1 . 1 47 47 VAL HG22 H 1 0.770 0.04 . 2 . . . . A 47 VAL HG22 . 30974 1 348 . 1 . 1 47 47 VAL HG23 H 1 0.770 0.04 . 2 . . . . A 47 VAL HG23 . 30974 1 349 . 1 . 1 47 47 VAL C C 13 175.853 0.40 . 1 . . . . A 47 VAL C . 30974 1 350 . 1 . 1 47 47 VAL CA C 13 62.128 0.40 . 1 . . . . A 47 VAL CA . 30974 1 351 . 1 . 1 47 47 VAL CB C 13 32.229 0.40 . 1 . . . . A 47 VAL CB . 30974 1 352 . 1 . 1 47 47 VAL CG1 C 13 21.887 0.40 . 2 . . . . A 47 VAL CG1 . 30974 1 353 . 1 . 1 47 47 VAL CG2 C 13 21.263 0.40 . 2 . . . . A 47 VAL CG2 . 30974 1 354 . 1 . 1 47 47 VAL N N 15 127.472 0.40 . 1 . . . . A 47 VAL N . 30974 1 355 . 1 . 1 48 48 THR H H 1 9.427 0.04 . 1 . . . . A 48 THR H . 30974 1 356 . 1 . 1 48 48 THR HA H 1 4.625 0.04 . 1 . . . . A 48 THR HA . 30974 1 357 . 1 . 1 48 48 THR HB H 1 4.344 0.04 . 1 . . . . A 48 THR HB . 30974 1 358 . 1 . 1 48 48 THR HG21 H 1 1.171 0.04 . 1 . . . . A 48 THR HG21 . 30974 1 359 . 1 . 1 48 48 THR HG22 H 1 1.171 0.04 . 1 . . . . A 48 THR HG22 . 30974 1 360 . 1 . 1 48 48 THR HG23 H 1 1.171 0.04 . 1 . . . . A 48 THR HG23 . 30974 1 361 . 1 . 1 48 48 THR C C 13 175.171 0.40 . 1 . . . . A 48 THR C . 30974 1 362 . 1 . 1 48 48 THR CA C 13 61.773 0.40 . 1 . . . . A 48 THR CA . 30974 1 363 . 1 . 1 48 48 THR CB C 13 70.842 0.40 . 1 . . . . A 48 THR CB . 30974 1 364 . 1 . 1 48 48 THR CG2 C 13 21.950 0.40 . 1 . . . . A 48 THR CG2 . 30974 1 365 . 1 . 1 48 48 THR N N 15 115.515 0.40 . 1 . . . . A 48 THR N . 30974 1 366 . 1 . 1 49 49 THR H H 1 7.820 0.04 . 1 . . . . A 49 THR H . 30974 1 367 . 1 . 1 49 49 THR HA H 1 4.932 0.04 . 1 . . . . A 49 THR HA . 30974 1 368 . 1 . 1 49 49 THR HB H 1 4.704 0.04 . 1 . . . . A 49 THR HB . 30974 1 369 . 1 . 1 49 49 THR HG21 H 1 1.230 0.04 . 1 . . . . A 49 THR HG21 . 30974 1 370 . 1 . 1 49 49 THR HG22 H 1 1.230 0.04 . 1 . . . . A 49 THR HG22 . 30974 1 371 . 1 . 1 49 49 THR HG23 H 1 1.230 0.04 . 1 . . . . A 49 THR HG23 . 30974 1 372 . 1 . 1 49 49 THR C C 13 174.492 0.40 . 1 . . . . A 49 THR C . 30974 1 373 . 1 . 1 49 49 THR CA C 13 59.062 0.40 . 1 . . . . A 49 THR CA . 30974 1 374 . 1 . 1 49 49 THR CB C 13 72.845 0.40 . 1 . . . . A 49 THR CB . 30974 1 375 . 1 . 1 49 49 THR CG2 C 13 21.351 0.40 . 1 . . . . A 49 THR CG2 . 30974 1 376 . 1 . 1 49 49 THR N N 15 111.480 0.40 . 1 . . . . A 49 THR N . 30974 1 377 . 1 . 1 50 50 GLU H H 1 9.212 0.04 . 1 . . . . A 50 GLU H . 30974 1 378 . 1 . 1 50 50 GLU HA H 1 3.877 0.04 . 1 . . . . A 50 GLU HA . 30974 1 379 . 1 . 1 50 50 GLU HB2 H 1 2.097 0.04 . 2 . . . . A 50 GLU HB2 . 30974 1 380 . 1 . 1 50 50 GLU HB3 H 1 2.082 0.04 . 2 . . . . A 50 GLU HB3 . 30974 1 381 . 1 . 1 50 50 GLU HG2 H 1 2.385 0.04 . 2 . . . . A 50 GLU HG2 . 30974 1 382 . 1 . 1 50 50 GLU HG3 H 1 2.255 0.04 . 2 . . . . A 50 GLU HG3 . 30974 1 383 . 1 . 1 50 50 GLU C C 13 178.513 0.40 . 1 . . . . A 50 GLU C . 30974 1 384 . 1 . 1 50 50 GLU CA C 13 59.546 0.40 . 1 . . . . A 50 GLU CA . 30974 1 385 . 1 . 1 50 50 GLU CB C 13 29.334 0.40 . 1 . . . . A 50 GLU CB . 30974 1 386 . 1 . 1 50 50 GLU CG C 13 37.096 0.40 . 1 . . . . A 50 GLU CG . 30974 1 387 . 1 . 1 50 50 GLU N N 15 122.117 0.40 . 1 . . . . A 50 GLU N . 30974 1 388 . 1 . 1 51 51 GLU H H 1 8.553 0.04 . 1 . . . . A 51 GLU H . 30974 1 389 . 1 . 1 51 51 GLU HA H 1 4.098 0.04 . 1 . . . . A 51 GLU HA . 30974 1 390 . 1 . 1 51 51 GLU HB2 H 1 2.153 0.04 . 2 . . . . A 51 GLU HB2 . 30974 1 391 . 1 . 1 51 51 GLU HB3 H 1 2.076 0.04 . 2 . . . . A 51 GLU HB3 . 30974 1 392 . 1 . 1 51 51 GLU HG2 H 1 2.352 0.04 . 2 . . . . A 51 GLU HG2 . 30974 1 393 . 1 . 1 51 51 GLU HG3 H 1 2.352 0.04 . 2 . . . . A 51 GLU HG3 . 30974 1 394 . 1 . 1 51 51 GLU C C 13 178.834 0.40 . 1 . . . . A 51 GLU C . 30974 1 395 . 1 . 1 51 51 GLU CA C 13 59.732 0.40 . 1 . . . . A 51 GLU CA . 30974 1 396 . 1 . 1 51 51 GLU CB C 13 28.815 0.40 . 1 . . . . A 51 GLU CB . 30974 1 397 . 1 . 1 51 51 GLU CG C 13 35.548 0.40 . 1 . . . . A 51 GLU CG . 30974 1 398 . 1 . 1 51 51 GLU N N 15 120.294 0.40 . 1 . . . . A 51 GLU N . 30974 1 399 . 1 . 1 52 52 GLN H H 1 7.865 0.04 . 1 . . . . A 52 GLN H . 30974 1 400 . 1 . 1 52 52 GLN HA H 1 4.015 0.04 . 1 . . . . A 52 GLN HA . 30974 1 401 . 1 . 1 52 52 GLN HB2 H 1 2.063 0.04 . 2 . . . . A 52 GLN HB2 . 30974 1 402 . 1 . 1 52 52 GLN HB3 H 1 2.684 0.04 . 2 . . . . A 52 GLN HB3 . 30974 1 403 . 1 . 1 52 52 GLN HG2 H 1 2.539 0.04 . 2 . . . . A 52 GLN HG2 . 30974 1 404 . 1 . 1 52 52 GLN HG3 H 1 2.327 0.04 . 2 . . . . A 52 GLN HG3 . 30974 1 405 . 1 . 1 52 52 GLN C C 13 178.510 0.40 . 1 . . . . A 52 GLN C . 30974 1 406 . 1 . 1 52 52 GLN CA C 13 58.792 0.40 . 1 . . . . A 52 GLN CA . 30974 1 407 . 1 . 1 52 52 GLN CB C 13 29.754 0.40 . 1 . . . . A 52 GLN CB . 30974 1 408 . 1 . 1 52 52 GLN CG C 13 33.935 0.40 . 1 . . . . A 52 GLN CG . 30974 1 409 . 1 . 1 52 52 GLN N N 15 119.461 0.40 . 1 . . . . A 52 GLN N . 30974 1 410 . 1 . 1 53 53 ALA H H 1 7.931 0.04 . 1 . . . . A 53 ALA H . 30974 1 411 . 1 . 1 53 53 ALA HA H 1 3.881 0.04 . 1 . . . . A 53 ALA HA . 30974 1 412 . 1 . 1 53 53 ALA HB1 H 1 1.464 0.04 . 1 . . . . A 53 ALA HB1 . 30974 1 413 . 1 . 1 53 53 ALA HB2 H 1 1.464 0.04 . 1 . . . . A 53 ALA HB2 . 30974 1 414 . 1 . 1 53 53 ALA HB3 H 1 1.464 0.04 . 1 . . . . A 53 ALA HB3 . 30974 1 415 . 1 . 1 53 53 ALA C C 13 178.566 0.40 . 1 . . . . A 53 ALA C . 30974 1 416 . 1 . 1 53 53 ALA CA C 13 55.335 0.40 . 1 . . . . A 53 ALA CA . 30974 1 417 . 1 . 1 53 53 ALA CB C 13 18.314 0.40 . 1 . . . . A 53 ALA CB . 30974 1 418 . 1 . 1 53 53 ALA N N 15 120.512 0.40 . 1 . . . . A 53 ALA N . 30974 1 419 . 1 . 1 54 54 ARG H H 1 8.447 0.04 . 1 . . . . A 54 ARG H . 30974 1 420 . 1 . 1 54 54 ARG HA H 1 3.973 0.04 . 1 . . . . A 54 ARG HA . 30974 1 421 . 1 . 1 54 54 ARG HB2 H 1 1.979 0.04 . 2 . . . . A 54 ARG HB2 . 30974 1 422 . 1 . 1 54 54 ARG HB3 H 1 1.967 0.04 . 2 . . . . A 54 ARG HB3 . 30974 1 423 . 1 . 1 54 54 ARG HG2 H 1 1.794 0.04 . 2 . . . . A 54 ARG HG2 . 30974 1 424 . 1 . 1 54 54 ARG HG3 H 1 1.615 0.04 . 2 . . . . A 54 ARG HG3 . 30974 1 425 . 1 . 1 54 54 ARG HD2 H 1 3.234 0.04 . 2 . . . . A 54 ARG HD2 . 30974 1 426 . 1 . 1 54 54 ARG HD3 H 1 3.234 0.04 . 2 . . . . A 54 ARG HD3 . 30974 1 427 . 1 . 1 54 54 ARG C C 13 179.055 0.40 . 1 . . . . A 54 ARG C . 30974 1 428 . 1 . 1 54 54 ARG CA C 13 59.432 0.40 . 1 . . . . A 54 ARG CA . 30974 1 429 . 1 . 1 54 54 ARG CB C 13 29.877 0.40 . 1 . . . . A 54 ARG CB . 30974 1 430 . 1 . 1 54 54 ARG CG C 13 27.287 0.40 . 1 . . . . A 54 ARG CG . 30974 1 431 . 1 . 1 54 54 ARG CD C 13 43.050 0.40 . 1 . . . . A 54 ARG CD . 30974 1 432 . 1 . 1 54 54 ARG N N 15 116.965 0.40 . 1 . . . . A 54 ARG N . 30974 1 433 . 1 . 1 55 55 ARG H H 1 8.097 0.04 . 1 . . . . A 55 ARG H . 30974 1 434 . 1 . 1 55 55 ARG HA H 1 4.168 0.04 . 1 . . . . A 55 ARG HA . 30974 1 435 . 1 . 1 55 55 ARG HB2 H 1 2.100 0.04 . 2 . . . . A 55 ARG HB2 . 30974 1 436 . 1 . 1 55 55 ARG HB3 H 1 2.224 0.04 . 2 . . . . A 55 ARG HB3 . 30974 1 437 . 1 . 1 55 55 ARG HG2 H 1 1.785 0.04 . 2 . . . . A 55 ARG HG2 . 30974 1 438 . 1 . 1 55 55 ARG HG3 H 1 2.011 0.04 . 2 . . . . A 55 ARG HG3 . 30974 1 439 . 1 . 1 55 55 ARG HD2 H 1 3.237 0.04 . 2 . . . . A 55 ARG HD2 . 30974 1 440 . 1 . 1 55 55 ARG HD3 H 1 3.237 0.04 . 2 . . . . A 55 ARG HD3 . 30974 1 441 . 1 . 1 55 55 ARG C C 13 179.756 0.40 . 1 . . . . A 55 ARG C . 30974 1 442 . 1 . 1 55 55 ARG CA C 13 59.489 0.40 . 1 . . . . A 55 ARG CA . 30974 1 443 . 1 . 1 55 55 ARG CB C 13 31.017 0.40 . 1 . . . . A 55 ARG CB . 30974 1 444 . 1 . 1 55 55 ARG CG C 13 28.468 0.40 . 1 . . . . A 55 ARG CG . 30974 1 445 . 1 . 1 55 55 ARG CD C 13 43.564 0.40 . 1 . . . . A 55 ARG CD . 30974 1 446 . 1 . 1 55 55 ARG N N 15 118.914 0.40 . 1 . . . . A 55 ARG N . 30974 1 447 . 1 . 1 56 56 LEU H H 1 8.404 0.04 . 1 . . . . A 56 LEU H . 30974 1 448 . 1 . 1 56 56 LEU HA H 1 4.247 0.04 . 1 . . . . A 56 LEU HA . 30974 1 449 . 1 . 1 56 56 LEU HB2 H 1 2.029 0.04 . 2 . . . . A 56 LEU HB2 . 30974 1 450 . 1 . 1 56 56 LEU HB3 H 1 1.543 0.04 . 2 . . . . A 56 LEU HB3 . 30974 1 451 . 1 . 1 56 56 LEU HG H 1 1.427 0.04 . 1 . . . . A 56 LEU HG . 30974 1 452 . 1 . 1 56 56 LEU HD11 H 1 0.669 0.04 . 2 . . . . A 56 LEU HD11 . 30974 1 453 . 1 . 1 56 56 LEU HD12 H 1 0.669 0.04 . 2 . . . . A 56 LEU HD12 . 30974 1 454 . 1 . 1 56 56 LEU HD13 H 1 0.669 0.04 . 2 . . . . A 56 LEU HD13 . 30974 1 455 . 1 . 1 56 56 LEU HD21 H 1 0.639 0.04 . 2 . . . . A 56 LEU HD21 . 30974 1 456 . 1 . 1 56 56 LEU HD22 H 1 0.639 0.04 . 2 . . . . A 56 LEU HD22 . 30974 1 457 . 1 . 1 56 56 LEU HD23 H 1 0.639 0.04 . 2 . . . . A 56 LEU HD23 . 30974 1 458 . 1 . 1 56 56 LEU C C 13 177.264 0.40 . 1 . . . . A 56 LEU C . 30974 1 459 . 1 . 1 56 56 LEU CA C 13 58.439 0.40 . 1 . . . . A 56 LEU CA . 30974 1 460 . 1 . 1 56 56 LEU CB C 13 41.608 0.40 . 1 . . . . A 56 LEU CB . 30974 1 461 . 1 . 1 56 56 LEU CG C 13 27.070 0.40 . 1 . . . . A 56 LEU CG . 30974 1 462 . 1 . 1 56 56 LEU CD1 C 13 25.778 0.40 . 2 . . . . A 56 LEU CD1 . 30974 1 463 . 1 . 1 56 56 LEU CD2 C 13 22.624 0.40 . 2 . . . . A 56 LEU CD2 . 30974 1 464 . 1 . 1 56 56 LEU N N 15 120.965 0.40 . 1 . . . . A 56 LEU N . 30974 1 465 . 1 . 1 57 57 ILE H H 1 8.233 0.04 . 1 . . . . A 57 ILE H . 30974 1 466 . 1 . 1 57 57 ILE HA H 1 3.683 0.04 . 1 . . . . A 57 ILE HA . 30974 1 467 . 1 . 1 57 57 ILE HB H 1 2.148 0.04 . 1 . . . . A 57 ILE HB . 30974 1 468 . 1 . 1 57 57 ILE HG12 H 1 1.742 0.04 . 2 . . . . A 57 ILE HG12 . 30974 1 469 . 1 . 1 57 57 ILE HG13 H 1 1.373 0.04 . 2 . . . . A 57 ILE HG13 . 30974 1 470 . 1 . 1 57 57 ILE HG21 H 1 0.908 0.04 . 1 . . . . A 57 ILE HG21 . 30974 1 471 . 1 . 1 57 57 ILE HG22 H 1 0.908 0.04 . 1 . . . . A 57 ILE HG22 . 30974 1 472 . 1 . 1 57 57 ILE HG23 H 1 0.908 0.04 . 1 . . . . A 57 ILE HG23 . 30974 1 473 . 1 . 1 57 57 ILE HD11 H 1 0.725 0.04 . 1 . . . . A 57 ILE HD11 . 30974 1 474 . 1 . 1 57 57 ILE HD12 H 1 0.725 0.04 . 1 . . . . A 57 ILE HD12 . 30974 1 475 . 1 . 1 57 57 ILE HD13 H 1 0.725 0.04 . 1 . . . . A 57 ILE HD13 . 30974 1 476 . 1 . 1 57 57 ILE C C 13 177.727 0.40 . 1 . . . . A 57 ILE C . 30974 1 477 . 1 . 1 57 57 ILE CA C 13 62.748 0.40 . 1 . . . . A 57 ILE CA . 30974 1 478 . 1 . 1 57 57 ILE CB C 13 35.603 0.40 . 1 . . . . A 57 ILE CB . 30974 1 479 . 1 . 1 57 57 ILE CG1 C 13 27.596 0.40 . 1 . . . . A 57 ILE CG1 . 30974 1 480 . 1 . 1 57 57 ILE CG2 C 13 17.629 0.40 . 1 . . . . A 57 ILE CG2 . 30974 1 481 . 1 . 1 57 57 ILE CD1 C 13 9.695 0.40 . 1 . . . . A 57 ILE CD1 . 30974 1 482 . 1 . 1 57 57 ILE N N 15 117.620 0.40 . 1 . . . . A 57 ILE N . 30974 1 483 . 1 . 1 58 58 GLU H H 1 8.504 0.04 . 1 . . . . A 58 GLU H . 30974 1 484 . 1 . 1 58 58 GLU HA H 1 3.954 0.04 . 1 . . . . A 58 GLU HA . 30974 1 485 . 1 . 1 58 58 GLU HB2 H 1 2.135 0.04 . 2 . . . . A 58 GLU HB2 . 30974 1 486 . 1 . 1 58 58 GLU HB3 H 1 2.046 0.04 . 2 . . . . A 58 GLU HB3 . 30974 1 487 . 1 . 1 58 58 GLU HG2 H 1 2.408 0.04 . 2 . . . . A 58 GLU HG2 . 30974 1 488 . 1 . 1 58 58 GLU HG3 H 1 2.319 0.04 . 2 . . . . A 58 GLU HG3 . 30974 1 489 . 1 . 1 58 58 GLU C C 13 178.541 0.40 . 1 . . . . A 58 GLU C . 30974 1 490 . 1 . 1 58 58 GLU CA C 13 59.456 0.40 . 1 . . . . A 58 GLU CA . 30974 1 491 . 1 . 1 58 58 GLU CB C 13 29.361 0.40 . 1 . . . . A 58 GLU CB . 30974 1 492 . 1 . 1 58 58 GLU CG C 13 36.233 0.40 . 1 . . . . A 58 GLU CG . 30974 1 493 . 1 . 1 58 58 GLU N N 15 118.394 0.40 . 1 . . . . A 58 GLU N . 30974 1 494 . 1 . 1 59 59 PHE H H 1 7.608 0.04 . 1 . . . . A 59 PHE H . 30974 1 495 . 1 . 1 59 59 PHE HA H 1 3.991 0.04 . 1 . . . . A 59 PHE HA . 30974 1 496 . 1 . 1 59 59 PHE HB2 H 1 2.823 0.04 . 2 . . . . A 59 PHE HB2 . 30974 1 497 . 1 . 1 59 59 PHE HB3 H 1 2.786 0.04 . 2 . . . . A 59 PHE HB3 . 30974 1 498 . 1 . 1 59 59 PHE C C 13 178.041 0.40 . 1 . . . . A 59 PHE C . 30974 1 499 . 1 . 1 59 59 PHE CA C 13 61.226 0.40 . 1 . . . . A 59 PHE CA . 30974 1 500 . 1 . 1 59 59 PHE CB C 13 39.567 0.40 . 1 . . . . A 59 PHE CB . 30974 1 501 . 1 . 1 59 59 PHE N N 15 118.547 0.40 . 1 . . . . A 59 PHE N . 30974 1 502 . 1 . 1 60 60 LEU H H 1 8.051 0.04 . 1 . . . . A 60 LEU H . 30974 1 503 . 1 . 1 60 60 LEU HA H 1 3.789 0.04 . 1 . . . . A 60 LEU HA . 30974 1 504 . 1 . 1 60 60 LEU HB2 H 1 1.978 0.04 . 2 . . . . A 60 LEU HB2 . 30974 1 505 . 1 . 1 60 60 LEU HB3 H 1 1.399 0.04 . 2 . . . . A 60 LEU HB3 . 30974 1 506 . 1 . 1 60 60 LEU HG H 1 2.043 0.04 . 1 . . . . A 60 LEU HG . 30974 1 507 . 1 . 1 60 60 LEU HD11 H 1 0.795 0.04 . 2 . . . . A 60 LEU HD11 . 30974 1 508 . 1 . 1 60 60 LEU HD12 H 1 0.795 0.04 . 2 . . . . A 60 LEU HD12 . 30974 1 509 . 1 . 1 60 60 LEU HD13 H 1 0.795 0.04 . 2 . . . . A 60 LEU HD13 . 30974 1 510 . 1 . 1 60 60 LEU HD21 H 1 0.669 0.04 . 2 . . . . A 60 LEU HD21 . 30974 1 511 . 1 . 1 60 60 LEU HD22 H 1 0.669 0.04 . 2 . . . . A 60 LEU HD22 . 30974 1 512 . 1 . 1 60 60 LEU HD23 H 1 0.669 0.04 . 2 . . . . A 60 LEU HD23 . 30974 1 513 . 1 . 1 60 60 LEU C C 13 179.020 0.40 . 1 . . . . A 60 LEU C . 30974 1 514 . 1 . 1 60 60 LEU CA C 13 57.458 0.40 . 1 . . . . A 60 LEU CA . 30974 1 515 . 1 . 1 60 60 LEU CB C 13 41.485 0.40 . 1 . . . . A 60 LEU CB . 30974 1 516 . 1 . 1 60 60 LEU CG C 13 26.497 0.40 . 1 . . . . A 60 LEU CG . 30974 1 517 . 1 . 1 60 60 LEU CD1 C 13 26.174 0.40 . 2 . . . . A 60 LEU CD1 . 30974 1 518 . 1 . 1 60 60 LEU CD2 C 13 21.295 0.40 . 2 . . . . A 60 LEU CD2 . 30974 1 519 . 1 . 1 60 60 LEU N N 15 118.979 0.40 . 1 . . . . A 60 LEU N . 30974 1 520 . 1 . 1 61 61 ARG H H 1 8.647 0.04 . 1 . . . . A 61 ARG H . 30974 1 521 . 1 . 1 61 61 ARG HA H 1 3.851 0.04 . 1 . . . . A 61 ARG HA . 30974 1 522 . 1 . 1 61 61 ARG HB2 H 1 1.905 0.04 . 2 . . . . A 61 ARG HB2 . 30974 1 523 . 1 . 1 61 61 ARG HB3 H 1 1.816 0.04 . 2 . . . . A 61 ARG HB3 . 30974 1 524 . 1 . 1 61 61 ARG HG2 H 1 1.811 0.04 . 2 . . . . A 61 ARG HG2 . 30974 1 525 . 1 . 1 61 61 ARG HG3 H 1 1.605 0.04 . 2 . . . . A 61 ARG HG3 . 30974 1 526 . 1 . 1 61 61 ARG HD2 H 1 3.251 0.04 . 2 . . . . A 61 ARG HD2 . 30974 1 527 . 1 . 1 61 61 ARG HD3 H 1 3.251 0.04 . 2 . . . . A 61 ARG HD3 . 30974 1 528 . 1 . 1 61 61 ARG C C 13 177.918 0.40 . 1 . . . . A 61 ARG C . 30974 1 529 . 1 . 1 61 61 ARG CA C 13 59.008 0.40 . 1 . . . . A 61 ARG CA . 30974 1 530 . 1 . 1 61 61 ARG CB C 13 30.211 0.40 . 1 . . . . A 61 ARG CB . 30974 1 531 . 1 . 1 61 61 ARG CG C 13 28.625 0.40 . 1 . . . . A 61 ARG CG . 30974 1 532 . 1 . 1 61 61 ARG CD C 13 43.592 0.40 . 1 . . . . A 61 ARG CD . 30974 1 533 . 1 . 1 61 61 ARG N N 15 117.590 0.40 . 1 . . . . A 61 ARG N . 30974 1 534 . 1 . 1 62 62 ARG H H 1 7.319 0.04 . 1 . . . . A 62 ARG H . 30974 1 535 . 1 . 1 62 62 ARG HA H 1 4.323 0.04 . 1 . . . . A 62 ARG HA . 30974 1 536 . 1 . 1 62 62 ARG HB2 H 1 1.811 0.04 . 2 . . . . A 62 ARG HB2 . 30974 1 537 . 1 . 1 62 62 ARG HB3 H 1 1.634 0.04 . 2 . . . . A 62 ARG HB3 . 30974 1 538 . 1 . 1 62 62 ARG HG2 H 1 1.669 0.04 . 2 . . . . A 62 ARG HG2 . 30974 1 539 . 1 . 1 62 62 ARG HG3 H 1 1.572 0.04 . 2 . . . . A 62 ARG HG3 . 30974 1 540 . 1 . 1 62 62 ARG HD2 H 1 3.080 0.04 . 2 . . . . A 62 ARG HD2 . 30974 1 541 . 1 . 1 62 62 ARG HD3 H 1 3.080 0.04 . 2 . . . . A 62 ARG HD3 . 30974 1 542 . 1 . 1 62 62 ARG C C 13 176.178 0.40 . 1 . . . . A 62 ARG C . 30974 1 543 . 1 . 1 62 62 ARG CA C 13 55.514 0.40 . 1 . . . . A 62 ARG CA . 30974 1 544 . 1 . 1 62 62 ARG CB C 13 30.136 0.40 . 1 . . . . A 62 ARG CB . 30974 1 545 . 1 . 1 62 62 ARG CG C 13 26.771 0.40 . 1 . . . . A 62 ARG CG . 30974 1 546 . 1 . 1 62 62 ARG CD C 13 43.199 0.40 . 1 . . . . A 62 ARG CD . 30974 1 547 . 1 . 1 62 62 ARG N N 15 115.476 0.40 . 1 . . . . A 62 ARG N . 30974 1 548 . 1 . 1 63 63 PHE H H 1 7.354 0.04 . 1 . . . . A 63 PHE H . 30974 1 549 . 1 . 1 63 63 PHE HA H 1 3.901 0.04 . 1 . . . . A 63 PHE HA . 30974 1 550 . 1 . 1 63 63 PHE HB2 H 1 2.896 0.04 . 2 . . . . A 63 PHE HB2 . 30974 1 551 . 1 . 1 63 63 PHE HB3 H 1 2.790 0.04 . 2 . . . . A 63 PHE HB3 . 30974 1 552 . 1 . 1 63 63 PHE C C 13 174.386 0.40 . 1 . . . . A 63 PHE C . 30974 1 553 . 1 . 1 63 63 PHE CA C 13 60.070 0.40 . 1 . . . . A 63 PHE CA . 30974 1 554 . 1 . 1 63 63 PHE CB C 13 39.545 0.40 . 1 . . . . A 63 PHE CB . 30974 1 555 . 1 . 1 63 63 PHE N N 15 122.192 0.40 . 1 . . . . A 63 PHE N . 30974 1 556 . 1 . 1 64 64 ILE H H 1 7.049 0.04 . 1 . . . . A 64 ILE H . 30974 1 557 . 1 . 1 64 64 ILE HA H 1 3.921 0.04 . 1 . . . . A 64 ILE HA . 30974 1 558 . 1 . 1 64 64 ILE HB H 1 1.711 0.04 . 1 . . . . A 64 ILE HB . 30974 1 559 . 1 . 1 64 64 ILE HG12 H 1 1.350 0.04 . 2 . . . . A 64 ILE HG12 . 30974 1 560 . 1 . 1 64 64 ILE HG13 H 1 1.073 0.04 . 2 . . . . A 64 ILE HG13 . 30974 1 561 . 1 . 1 64 64 ILE HG21 H 1 0.823 0.04 . 1 . . . . A 64 ILE HG21 . 30974 1 562 . 1 . 1 64 64 ILE HG22 H 1 0.823 0.04 . 1 . . . . A 64 ILE HG22 . 30974 1 563 . 1 . 1 64 64 ILE HG23 H 1 0.823 0.04 . 1 . . . . A 64 ILE HG23 . 30974 1 564 . 1 . 1 64 64 ILE HD11 H 1 0.810 0.04 . 1 . . . . A 64 ILE HD11 . 30974 1 565 . 1 . 1 64 64 ILE HD12 H 1 0.810 0.04 . 1 . . . . A 64 ILE HD12 . 30974 1 566 . 1 . 1 64 64 ILE HD13 H 1 0.810 0.04 . 1 . . . . A 64 ILE HD13 . 30974 1 567 . 1 . 1 64 64 ILE CA C 13 62.456 0.40 . 1 . . . . A 64 ILE CA . 30974 1 568 . 1 . 1 64 64 ILE CB C 13 39.701 0.40 . 1 . . . . A 64 ILE CB . 30974 1 569 . 1 . 1 64 64 ILE CG1 C 13 27.058 0.40 . 1 . . . . A 64 ILE CG1 . 30974 1 570 . 1 . 1 64 64 ILE CG2 C 13 17.636 0.40 . 1 . . . . A 64 ILE CG2 . 30974 1 571 . 1 . 1 64 64 ILE CD1 C 13 13.455 0.40 . 1 . . . . A 64 ILE CD1 . 30974 1 572 . 1 . 1 64 64 ILE N N 15 127.950 0.40 . 1 . . . . A 64 ILE N . 30974 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 30974 _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 9 _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 N #INAME 2 H #INAME 3 HN #CYANAFORMAT NhH 1 125.123 2.578 8.874 1 U 0.230E+07 0.000E+00 e 0 0 0 0 2 125.150 2.387 8.874 1 U 0.349E+07 0.000E+00 e 0 0 0 0 3 125.155 1.976 8.874 1 U 0.274E+07 0.000E+00 e 0 0 0 0 4 125.164 1.648 8.873 1 U 0.280E+07 0.000E+00 e 0 0 0 0 5 125.182 1.342 8.873 1 U 0.250E+07 0.000E+00 e 0 0 0 0 6 125.161 1.024 8.878 1 U 0.165E+07 0.000E+00 e 0 0 0 0 7 125.145 0.738 8.874 1 U 0.952E+07 0.000E+00 e 0 0 0 0 8 125.219 2.582 8.873 1 U 0.230E+07 0.000E+00 e 0 0 0 0 9 125.219 4.244 8.875 1 U 0.167E+07 0.000E+00 e 0 0 0 0 10 125.219 4.393 8.881 1 U 0.253E+07 0.000E+00 e 0 0 0 0 11 125.219 4.762 8.881 1 U 0.182E+07 0.000E+00 e 0 0 0 0 12 125.219 5.367 8.877 1 U 0.139E+08 0.000E+00 e 0 0 0 0 15 125.219 8.585 8.878 1 U 0.183E+07 0.000E+00 e 0 0 0 0 16 125.219 8.191 8.875 1 U 0.157E+07 0.000E+00 e 0 0 0 0 17 125.219 7.878 8.875 1 U 0.201E+07 0.000E+00 e 0 0 0 0 18 125.219 0.661 8.871 1 U 0.181E+07 0.000E+00 e 0 0 0 0 19 122.130 0.633 9.207 1 U 0.502E+07 0.000E+00 e 0 0 0 0 20 122.130 0.707 9.207 1 U 0.436E+07 0.000E+00 e 0 0 0 0 21 122.130 1.216 9.210 1 U 0.120E+08 0.000E+00 e 0 0 0 0 22 122.130 1.452 9.212 1 U 0.174E+07 0.000E+00 e 0 0 0 0 23 122.130 2.076 9.210 1 U 0.224E+08 0.000E+00 e 0 0 0 0 24 122.130 2.237 9.208 1 U 0.530E+07 0.000E+00 e 0 0 0 0 25 122.130 2.392 9.214 1 U 0.882E+07 0.000E+00 e 0 0 0 0 26 122.101 3.870 9.210 1 U 0.702E+07 0.000E+00 e 0 0 0 0 27 122.130 4.704 9.211 1 U 0.111E+08 0.000E+00 e 0 0 0 0 28 122.130 4.968 9.207 1 U 0.770E+07 0.000E+00 e 0 0 0 0 29 122.091 9.211 9.210 1 U 0.341E+08 0.000E+00 e 0 0 0 0 30 122.089 8.564 9.210 1 U 0.908E+07 0.000E+00 e 0 0 0 0 31 122.107 7.869 9.213 1 U 0.376E+07 0.000E+00 e 0 0 0 0 32 115.537 1.392 9.429 1 U 0.125E+07 0.000E+00 e 0 0 0 0 33 115.448 1.184 9.425 1 U 0.240E+07 0.000E+00 e 0 0 0 0 34 115.432 0.940 9.433 1 U 0.179E+07 0.000E+00 e 0 0 0 0 35 115.394 0.729 9.427 1 U 0.249E+07 0.000E+00 e 0 0 0 0 36 115.515 0.742 9.426 1 U 0.177E+07 0.000E+00 e 0 0 0 0 37 115.515 4.166 9.430 1 U 0.227E+07 0.000E+00 e 0 0 0 0 38 115.515 4.221 9.428 1 U 0.376E+07 0.000E+00 e 0 0 0 0 39 115.515 4.615 9.424 1 U 0.149E+07 0.000E+00 e 0 0 0 0 40 115.515 7.818 9.430 1 U 0.399E+07 0.000E+00 e 0 0 0 0 41 121.953 9.042 9.043 1 U 0.114E+08 0.000E+00 e 0 0 0 0 42 121.953 7.875 9.045 1 U 0.276E+07 0.000E+00 e 0 0 0 0 43 121.953 4.382 9.042 1 U 0.748E+07 0.000E+00 e 0 0 0 0 44 121.953 3.709 9.046 1 U 0.464E+07 0.000E+00 e 0 0 0 0 45 121.953 2.970 9.050 1 U 0.976E+06 0.000E+00 e 0 0 0 0 46 121.953 0.774 9.042 1 U 0.788E+07 0.000E+00 e 0 0 0 0 47 121.953 1.622 9.044 1 U 0.281E+07 0.000E+00 e 0 0 0 0 48 121.953 1.696 9.042 1 U 0.245E+07 0.000E+00 e 0 0 0 0 49 121.953 0.725 9.040 1 U 0.489E+07 0.000E+00 e 0 0 0 0 50 127.472 4.773 8.900 1 U 0.374E+07 0.000E+00 e 0 0 0 0 51 127.472 4.261 8.898 1 U 0.207E+07 0.000E+00 e 0 0 0 0 52 127.472 4.189 8.902 1 U 0.194E+07 0.000E+00 e 0 0 0 0 53 127.417 1.975 8.901 1 U 0.636E+07 0.000E+00 e 0 0 0 0 54 127.420 1.848 8.899 1 U 0.584E+07 0.000E+00 e 0 0 0 0 55 127.472 0.963 8.899 1 U 0.211E+07 0.000E+00 e 0 0 0 0 56 127.472 0.765 8.904 1 U 0.104E+08 0.000E+00 e 0 0 0 0 57 127.472 5.371 8.892 1 U 0.322E+07 0.000E+00 e 0 0 0 0 58 127.472 8.355 8.899 1 U 0.218E+07 0.000E+00 e 0 0 0 0 59 127.472 8.896 8.898 1 U 0.172E+08 0.000E+00 e 0 0 0 0 60 126.092 2.581 8.552 1 U 0.731E+07 0.000E+00 e 0 0 0 0 61 126.091 2.384 8.551 1 U 0.693E+07 0.000E+00 e 0 0 0 0 62 126.160 1.857 8.555 1 U 0.284E+07 0.000E+00 e 0 0 0 0 63 126.107 0.765 8.552 1 U 0.158E+08 0.000E+00 e 0 0 0 0 64 126.095 4.270 8.559 1 U 0.159E+08 0.000E+00 e 0 0 0 0 65 126.095 4.365 8.554 1 U 0.293E+07 0.000E+00 e 0 0 0 0 66 126.074 5.357 8.552 1 U 0.424E+07 0.000E+00 e 0 0 0 0 67 126.102 8.556 8.553 1 U 0.379E+08 0.000E+00 e 0 0 0 0 68 126.155 8.376 8.551 1 U 0.267E+07 0.000E+00 e 0 0 0 0 69 117.547 4.909 8.645 1 U 0.156E+07 0.000E+00 e 0 0 0 0 70 117.400 4.329 8.644 1 U 0.120E+07 0.000E+00 e 0 0 0 0 71 117.566 3.944 8.649 1 U 0.220E+07 0.000E+00 e 0 0 0 0 72 117.465 3.915 8.616 1 U 0.113E+07 0.000E+00 e 0 0 0 0 73 117.589 3.835 8.648 1 U 0.367E+07 0.000E+00 e 0 0 0 0 74 117.590 1.974 8.649 1 U 0.198E+07 0.000E+00 e 0 0 0 0 75 117.590 1.896 8.652 1 U 0.587E+07 0.000E+00 e 0 0 0 0 76 117.590 1.804 8.650 1 U 0.636E+07 0.000E+00 e 0 0 0 0 77 117.590 1.710 8.649 1 U 0.185E+07 0.000E+00 e 0 0 0 0 78 117.590 1.586 8.652 1 U 0.263E+07 0.000E+00 e 0 0 0 0 79 117.590 0.902 8.650 1 U 0.355E+07 0.000E+00 e 0 0 0 0 80 117.590 0.787 8.648 1 U 0.183E+07 0.000E+00 e 0 0 0 0 81 117.590 7.316 8.651 1 U 0.384E+07 0.000E+00 e 0 0 0 0 82 117.590 8.662 8.647 1 U 0.103E+08 0.000E+00 e 0 0 0 0 83 117.590 8.501 8.652 1 U 0.159E+07 0.000E+00 e 0 0 0 0 84 116.891 4.102 8.449 1 U 0.509E+07 0.000E+00 e 0 0 0 0 85 116.912 3.968 8.450 1 U 0.101E+08 0.000E+00 e 0 0 0 0 86 116.903 3.863 8.449 1 U 0.528E+07 0.000E+00 e 0 0 0 0 87 116.913 2.091 8.449 1 U 0.420E+07 0.000E+00 e 0 0 0 0 88 116.913 1.969 8.449 1 U 0.224E+08 0.000E+00 e 0 0 0 0 89 116.919 1.787 8.450 1 U 0.689E+07 0.000E+00 e 0 0 0 0 90 116.923 1.599 8.449 1 U 0.460E+07 0.000E+00 e 0 0 0 0 91 116.918 1.453 8.449 1 U 0.115E+08 0.000E+00 e 0 0 0 0 92 116.914 3.228 8.449 1 U 0.425E+07 0.000E+00 e 0 0 0 0 93 116.920 8.449 8.449 1 U 0.404E+08 0.000E+00 e 0 0 0 0 94 116.908 8.097 8.449 1 U 0.963E+07 0.000E+00 e 0 0 0 0 95 116.912 7.933 8.449 1 U 0.855E+07 0.000E+00 e 0 0 0 0 96 118.394 7.604 8.513 1 U 0.480E+07 0.000E+00 e 0 0 0 0 97 118.394 3.961 8.513 1 U 0.561E+07 0.000E+00 e 0 0 0 0 98 118.394 4.145 8.507 1 U 0.188E+07 0.000E+00 e 0 0 0 0 99 118.394 1.747 8.508 1 U 0.281E+07 0.000E+00 e 0 0 0 0 100 118.394 0.718 8.510 1 U 0.189E+07 0.000E+00 e 0 0 0 0 101 118.394 0.893 8.509 1 U 0.347E+07 0.000E+00 e 0 0 0 0 102 118.394 2.029 8.511 1 U 0.868E+07 0.000E+00 e 0 0 0 0 103 118.394 2.118 8.510 1 U 0.100E+08 0.000E+00 e 0 0 0 0 104 118.394 2.287 8.511 1 U 0.481E+07 0.000E+00 e 0 0 0 0 105 118.394 2.402 8.511 1 U 0.344E+07 0.000E+00 e 0 0 0 0 106 118.394 1.439 8.514 1 U 0.152E+07 0.000E+00 e 0 0 0 0 107 118.897 0.715 8.479 1 U 0.548E+07 0.000E+00 e 0 0 0 0 108 118.897 0.772 8.474 1 U 0.305E+07 0.000E+00 e 0 0 0 0 109 118.897 0.884 8.477 1 U 0.218E+07 0.000E+00 e 0 0 0 0 110 118.897 1.405 8.477 1 U 0.259E+07 0.000E+00 e 0 0 0 0 111 118.897 1.925 8.477 1 U 0.307E+07 0.000E+00 e 0 0 0 0 112 118.897 2.103 8.476 1 U 0.615E+07 0.000E+00 e 0 0 0 0 113 118.897 2.213 8.476 1 U 0.752E+07 0.000E+00 e 0 0 0 0 114 118.881 4.082 8.475 1 U 0.433E+07 0.000E+00 e 0 0 0 0 115 118.852 3.667 8.476 1 U 0.386E+07 0.000E+00 e 0 0 0 0 116 118.826 7.953 8.476 1 U 0.380E+07 0.000E+00 e 0 0 0 0 117 118.841 7.771 8.476 1 U 0.431E+07 0.000E+00 e 0 0 0 0 118 120.294 7.865 8.554 1 U 0.711E+07 0.000E+00 e 0 0 0 0 119 120.294 9.199 8.560 1 U 0.672E+07 0.000E+00 e 0 0 0 0 121 120.294 4.921 8.558 1 U 0.416E+07 0.000E+00 e 0 0 0 0 122 120.294 4.749 8.560 1 U 0.335E+07 0.000E+00 e 0 0 0 0 123 120.294 4.708 8.562 1 U 0.795E+07 0.000E+00 e 0 0 0 0 124 120.294 3.860 8.563 1 U 0.449E+07 0.000E+00 e 0 0 0 0 125 120.294 4.096 8.563 1 U 0.988E+07 0.000E+00 e 0 0 0 0 126 120.327 2.346 8.559 1 U 0.120E+08 0.000E+00 e 0 0 0 0 127 120.299 2.103 8.560 1 U 0.207E+08 0.000E+00 e 0 0 0 0 128 120.294 1.960 8.559 1 U 0.139E+08 0.000E+00 e 0 0 0 0 129 120.319 1.211 8.560 1 U 0.680E+07 0.000E+00 e 0 0 0 0 130 120.294 0.698 8.562 1 U 0.195E+07 0.000E+00 e 0 0 0 0 131 119.615 0.775 8.672 1 U 0.621E+07 0.000E+00 e 0 0 0 0 132 119.651 1.313 8.674 1 U 0.289E+07 0.000E+00 e 0 0 0 0 133 119.651 1.911 8.671 1 U 0.556E+07 0.000E+00 e 0 0 0 0 134 119.651 2.017 8.670 1 U 0.330E+07 0.000E+00 e 0 0 0 0 135 119.594 2.903 8.674 1 U 0.297E+07 0.000E+00 e 0 0 0 0 136 119.550 2.667 8.677 1 U 0.224E+07 0.000E+00 e 0 0 0 0 137 119.651 2.673 8.676 1 U 0.175E+07 0.000E+00 e 0 0 0 0 138 119.651 3.975 8.679 1 U 0.233E+07 0.000E+00 e 0 0 0 0 139 119.651 8.069 8.679 1 U 0.324E+07 0.000E+00 e 0 0 0 0 140 119.651 8.501 8.673 1 U 0.267E+07 0.000E+00 e 0 0 0 0 141 119.651 8.679 8.671 1 U 0.133E+08 0.000E+00 e 0 0 0 0 142 122.119 8.590 8.589 1 U 0.781E+08 0.000E+00 e 0 0 0 0 143 122.055 4.365 8.585 1 U 0.365E+08 0.000E+00 e 0 0 0 0 144 122.058 4.270 8.584 1 U 0.125E+08 0.000E+00 e 0 0 0 0 145 122.052 1.817 8.585 1 U 0.141E+08 0.000E+00 e 0 0 0 0 146 122.033 1.749 8.586 1 U 0.144E+08 0.000E+00 e 0 0 0 0 147 122.067 1.625 8.584 1 U 0.108E+08 0.000E+00 e 0 0 0 0 148 122.119 2.201 8.586 1 U 0.581E+07 0.000E+00 e 0 0 0 0 149 122.119 1.983 8.584 1 U 0.376E+07 0.000E+00 e 0 0 0 0 150 122.119 0.792 8.584 1 U 0.263E+07 0.000E+00 e 0 0 0 0 151 122.119 0.876 8.585 1 U 0.265E+07 0.000E+00 e 0 0 0 0 152 121.692 2.112 8.491 1 U 0.692E+07 0.000E+00 e 0 0 0 0 153 121.649 2.902 8.491 1 U 0.711E+07 0.000E+00 e 0 0 0 0 154 121.666 2.680 8.491 1 U 0.584E+07 0.000E+00 e 0 0 0 0 155 121.683 4.415 8.490 1 U 0.508E+07 0.000E+00 e 0 0 0 0 156 121.690 4.100 8.487 1 U 0.374E+07 0.000E+00 e 0 0 0 0 157 121.645 8.064 8.491 1 U 0.247E+07 0.000E+00 e 0 0 0 0 158 121.675 7.771 8.489 1 U 0.342E+07 0.000E+00 e 0 0 0 0 159 121.692 8.679 8.491 1 U 0.471E+07 0.000E+00 e 0 0 0 0 160 122.621 0.746 8.360 1 U 0.111E+08 0.000E+00 e 0 0 0 0 161 122.621 1.588 8.351 1 U 0.634E+07 0.000E+00 e 0 0 0 0 162 122.621 1.868 8.356 1 U 0.547E+07 0.000E+00 e 0 0 0 0 163 122.621 1.945 8.353 1 U 0.230E+07 0.000E+00 e 0 0 0 0 164 122.621 3.918 8.358 1 U 0.162E+07 0.000E+00 e 0 0 0 0 165 122.621 4.257 8.357 1 U 0.451E+07 0.000E+00 e 0 0 0 0 166 122.621 4.519 8.358 1 U 0.166E+08 0.000E+00 e 0 0 0 0 167 122.621 8.578 8.357 1 U 0.181E+07 0.000E+00 e 0 0 0 0 168 122.621 8.883 8.357 1 U 0.213E+07 0.000E+00 e 0 0 0 0 170 122.176 4.401 8.158 1 U 0.422E+07 0.000E+00 e 0 0 0 0 171 122.176 4.312 8.155 1 U 0.400E+08 0.000E+00 e 0 0 0 0 172 122.139 2.015 8.152 1 U 0.181E+08 0.000E+00 e 0 0 0 0 173 122.122 1.520 8.152 1 U 0.119E+08 0.000E+00 e 0 0 0 0 174 122.176 0.778 8.154 1 U 0.661E+07 0.000E+00 e 0 0 0 0 175 122.176 0.856 8.153 1 U 0.285E+08 0.000E+00 e 0 0 0 0 176 118.558 1.943 8.306 1 U 0.557E+07 0.000E+00 e 0 0 0 0 177 118.568 1.814 8.304 1 U 0.396E+07 0.000E+00 e 0 0 0 0 178 118.566 1.703 8.305 1 U 0.291E+07 0.000E+00 e 0 0 0 0 179 118.528 1.318 8.305 1 U 0.392E+07 0.000E+00 e 0 0 0 0 180 118.573 2.078 8.306 1 U 0.955E+07 0.000E+00 e 0 0 0 0 181 118.573 2.152 8.306 1 U 0.995E+07 0.000E+00 e 0 0 0 0 182 118.573 2.414 8.303 1 U 0.671E+07 0.000E+00 e 0 0 0 0 183 118.573 3.840 8.305 1 U 0.280E+07 0.000E+00 e 0 0 0 0 184 118.573 3.926 8.303 1 U 0.681E+07 0.000E+00 e 0 0 0 0 185 118.601 8.309 8.305 1 U 0.321E+08 0.000E+00 e 0 0 0 0 186 118.600 8.069 8.305 1 U 0.158E+08 0.000E+00 e 0 0 0 0 187 116.952 4.132 8.098 1 U 0.749E+07 0.000E+00 e 0 0 0 0 188 116.919 3.937 8.096 1 U 0.485E+07 0.000E+00 e 0 0 0 0 189 116.936 3.835 8.097 1 U 0.457E+07 0.000E+00 e 0 0 0 0 190 116.965 1.807 8.100 1 U 0.151E+08 0.000E+00 e 0 0 0 0 191 116.965 0.683 8.102 1 U 0.880E+07 0.000E+00 e 0 0 0 0 192 116.965 0.772 8.097 1 U 0.489E+07 0.000E+00 e 0 0 0 0 193 116.965 1.333 8.097 1 U 0.114E+08 0.000E+00 e 0 0 0 0 194 116.965 1.385 8.097 1 U 0.798E+07 0.000E+00 e 0 0 0 0 195 116.965 1.965 8.107 1 U 0.238E+07 0.000E+00 e 0 0 0 0 196 117.772 8.674 8.070 1 U 0.796E+07 0.000E+00 e 0 0 0 0 197 117.692 8.467 8.080 1 U 0.173E+07 0.000E+00 e 0 0 0 0 198 117.751 8.314 8.072 1 U 0.783E+07 0.000E+00 e 0 0 0 0 199 117.737 8.072 8.071 1 U 0.548E+08 0.000E+00 e 0 0 0 0 200 117.799 7.773 8.070 1 U 0.314E+07 0.000E+00 e 0 0 0 0 201 117.712 7.785 8.070 1 U 0.218E+07 0.000E+00 e 0 0 0 0 202 117.739 4.100 8.071 1 U 0.425E+07 0.000E+00 e 0 0 0 0 203 117.725 3.941 8.071 1 U 0.424E+07 0.000E+00 e 0 0 0 0 204 117.745 3.829 8.071 1 U 0.102E+08 0.000E+00 e 0 0 0 0 205 117.729 1.941 8.071 1 U 0.146E+08 0.000E+00 e 0 0 0 0 206 117.749 1.827 8.071 1 U 0.119E+08 0.000E+00 e 0 0 0 0 207 117.733 1.697 8.072 1 U 0.142E+08 0.000E+00 e 0 0 0 0 208 117.732 1.308 8.072 1 U 0.105E+08 0.000E+00 e 0 0 0 0 209 117.712 0.761 8.073 1 U 0.707E+07 0.000E+00 e 0 0 0 0 210 120.002 1.549 8.159 1 U 0.165E+08 0.000E+00 e 0 0 0 0 211 120.002 1.606 8.160 1 U 0.120E+08 0.000E+00 e 0 0 0 0 212 120.002 1.804 8.154 1 U 0.886E+07 0.000E+00 e 0 0 0 0 213 120.002 3.886 8.157 1 U 0.101E+08 0.000E+00 e 0 0 0 0 214 120.002 4.087 8.158 1 U 0.862E+07 0.000E+00 e 0 0 0 0 215 120.002 4.447 8.154 1 U 0.102E+08 0.000E+00 e 0 0 0 0 216 119.942 8.156 8.155 1 U 0.757E+08 0.000E+00 e 0 0 0 0 217 119.960 7.915 8.155 1 U 0.185E+08 0.000E+00 e 0 0 0 0 218 120.002 7.675 8.160 1 U 0.366E+07 0.000E+00 e 0 0 0 0 219 120.002 4.323 8.151 1 U 0.296E+07 0.000E+00 e 0 0 0 0 222 108.725 1.546 7.920 1 U 0.252E+07 0.000E+00 e 0 0 0 0 223 108.725 1.632 7.920 1 U 0.203E+07 0.000E+00 e 0 0 0 0 224 108.725 1.807 7.916 1 U 0.324E+07 0.000E+00 e 0 0 0 0 225 108.725 2.040 7.917 1 U 0.496E+07 0.000E+00 e 0 0 0 0 226 108.725 2.230 7.916 1 U 0.386E+07 0.000E+00 e 0 0 0 0 227 108.725 2.563 7.917 1 U 0.345E+07 0.000E+00 e 0 0 0 0 228 108.725 2.325 7.918 1 U 0.229E+07 0.000E+00 e 0 0 0 0 229 108.725 3.869 7.912 1 U 0.197E+08 0.000E+00 e 0 0 0 0 230 108.725 4.064 7.915 1 U 0.219E+08 0.000E+00 e 0 0 0 0 231 108.725 4.142 7.912 1 U 0.146E+08 0.000E+00 e 0 0 0 0 232 108.725 4.300 7.913 1 U 0.866E+07 0.000E+00 e 0 0 0 0 233 108.711 8.157 7.916 1 U 0.236E+08 0.000E+00 e 0 0 0 0 234 108.709 7.916 7.916 1 U 0.782E+08 0.000E+00 e 0 0 0 0 235 108.710 7.670 7.916 1 U 0.147E+08 0.000E+00 e 0 0 0 0 236 111.480 9.447 7.831 1 U 0.754E+07 0.000E+00 e 0 0 0 0 238 111.421 1.210 7.829 1 U 0.489E+07 0.000E+00 e 0 0 0 0 239 111.401 0.954 7.829 1 U 0.471E+07 0.000E+00 e 0 0 0 0 240 111.480 2.023 7.832 1 U 0.215E+07 0.000E+00 e 0 0 0 0 241 111.480 2.333 7.837 1 U 0.204E+07 0.000E+00 e 0 0 0 0 242 111.480 0.735 7.837 1 U 0.181E+07 0.000E+00 e 0 0 0 0 243 116.769 1.830 7.672 1 U 0.340E+07 0.000E+00 e 0 0 0 0 244 116.769 1.974 7.674 1 U 0.548E+07 0.000E+00 e 0 0 0 0 245 116.769 2.052 7.675 1 U 0.106E+08 0.000E+00 e 0 0 0 0 246 116.769 2.224 7.675 1 U 0.682E+07 0.000E+00 e 0 0 0 0 247 116.769 2.348 7.672 1 U 0.515E+07 0.000E+00 e 0 0 0 0 248 116.769 2.552 7.675 1 U 0.555E+07 0.000E+00 e 0 0 0 0 249 116.719 4.306 7.670 1 U 0.651E+07 0.000E+00 e 0 0 0 0 250 116.733 4.127 7.674 1 U 0.650E+07 0.000E+00 e 0 0 0 0 251 116.736 3.891 7.675 1 U 0.523E+07 0.000E+00 e 0 0 0 0 252 116.769 8.020 7.672 1 U 0.928E+07 0.000E+00 e 0 0 0 0 253 116.769 7.908 7.679 1 U 0.114E+08 0.000E+00 e 0 0 0 0 254 116.769 7.681 7.678 1 U 0.330E+08 0.000E+00 e 0 0 0 0 255 116.769 8.144 7.671 1 U 0.343E+07 0.000E+00 e 0 0 0 0 256 118.051 8.490 7.769 1 U 0.786E+07 0.000E+00 e 0 0 0 0 257 118.037 7.772 7.771 1 U 0.221E+08 0.000E+00 e 0 0 0 0 258 118.102 4.099 7.776 1 U 0.663E+07 0.000E+00 e 0 0 0 0 259 118.018 2.402 7.763 1 U 0.451E+07 0.000E+00 e 0 0 0 0 260 118.059 2.340 7.772 1 U 0.432E+07 0.000E+00 e 0 0 0 0 261 118.028 2.196 7.773 1 U 0.596E+07 0.000E+00 e 0 0 0 0 262 118.028 2.097 7.770 1 U 0.136E+08 0.000E+00 e 0 0 0 0 263 119.331 1.453 7.868 1 U 0.415E+07 0.000E+00 e 0 0 0 0 264 119.334 1.209 7.867 1 U 0.547E+07 0.000E+00 e 0 0 0 0 265 119.315 0.960 7.869 1 U 0.340E+07 0.000E+00 e 0 0 0 0 266 119.204 0.838 7.861 1 U 0.434E+07 0.000E+00 e 0 0 0 0 267 119.197 0.777 7.867 1 U 0.276E+07 0.000E+00 e 0 0 0 0 268 119.323 0.838 7.868 1 U 0.370E+07 0.000E+00 e 0 0 0 0 269 119.323 1.954 7.870 1 U 0.756E+07 0.000E+00 e 0 0 0 0 270 119.323 2.052 7.858 1 U 0.723E+07 0.000E+00 e 0 0 0 0 271 119.323 2.342 7.865 1 U 0.732E+07 0.000E+00 e 0 0 0 0 272 119.356 2.660 7.867 1 U 0.733E+07 0.000E+00 e 0 0 0 0 273 119.368 2.524 7.863 1 U 0.628E+07 0.000E+00 e 0 0 0 0 274 119.172 4.309 7.862 1 U 0.527E+07 0.000E+00 e 0 0 0 0 275 119.323 4.098 7.869 1 U 0.424E+07 0.000E+00 e 0 0 0 0 276 119.333 3.981 7.867 1 U 0.695E+07 0.000E+00 e 0 0 0 0 277 119.323 4.309 7.869 1 U 0.333E+07 0.000E+00 e 0 0 0 0 278 119.323 7.851 7.864 1 U 0.457E+08 0.000E+00 e 0 0 0 0 279 119.323 7.946 7.865 1 U 0.121E+08 0.000E+00 e 0 0 0 0 280 119.345 8.562 7.867 1 U 0.908E+07 0.000E+00 e 0 0 0 0 281 118.547 7.598 7.613 1 U 0.133E+08 0.000E+00 e 0 0 0 0 282 118.475 8.508 7.608 1 U 0.332E+07 0.000E+00 e 0 0 0 0 283 118.501 8.055 7.608 1 U 0.322E+07 0.000E+00 e 0 0 0 0 284 118.469 3.959 7.608 1 U 0.519E+07 0.000E+00 e 0 0 0 0 285 118.485 2.798 7.609 1 U 0.469E+07 0.000E+00 e 0 0 0 0 286 118.467 2.129 7.609 1 U 0.280E+07 0.000E+00 e 0 0 0 0 287 118.488 2.043 7.608 1 U 0.296E+07 0.000E+00 e 0 0 0 0 288 115.476 1.606 7.321 1 U 0.728E+07 0.000E+00 e 0 0 0 0 289 115.476 1.672 7.322 1 U 0.506E+07 0.000E+00 e 0 0 0 0 290 115.476 1.784 7.318 1 U 0.506E+07 0.000E+00 e 0 0 0 0 291 115.476 4.320 7.314 1 U 0.257E+07 0.000E+00 e 0 0 0 0 292 115.476 3.846 7.320 1 U 0.118E+07 0.000E+00 e 0 0 0 0 293 115.476 8.650 7.318 1 U 0.369E+07 0.000E+00 e 0 0 0 0 294 115.374 3.971 8.227 1 U 0.235E+07 0.000E+00 e 0 0 0 0 295 115.374 4.366 8.218 1 U 0.184E+07 0.000E+00 e 0 0 0 0 296 121.075 7.684 8.021 1 U 0.931E+07 0.000E+00 e 0 0 0 0 297 121.075 7.908 8.022 1 U 0.438E+07 0.000E+00 e 0 0 0 0 298 121.075 4.314 8.018 1 U 0.247E+07 0.000E+00 e 0 0 0 0 299 121.075 4.145 8.021 1 U 0.155E+08 0.000E+00 e 0 0 0 0 300 121.075 3.932 8.021 1 U 0.470E+07 0.000E+00 e 0 0 0 0 301 121.075 3.852 8.017 1 U 0.195E+07 0.000E+00 e 0 0 0 0 302 121.075 1.330 8.019 1 U 0.404E+07 0.000E+00 e 0 0 0 0 303 121.075 1.408 8.019 1 U 0.443E+07 0.000E+00 e 0 0 0 0 304 121.075 1.704 8.019 1 U 0.619E+07 0.000E+00 e 0 0 0 0 305 121.075 1.842 8.019 1 U 0.157E+08 0.000E+00 e 0 0 0 0 306 121.075 1.948 8.024 1 U 0.105E+08 0.000E+00 e 0 0 0 0 307 121.075 2.034 8.024 1 U 0.125E+08 0.000E+00 e 0 0 0 0 308 121.346 0.815 8.094 1 U 0.865E+07 0.000E+00 e 0 0 0 0 309 121.346 1.523 8.094 1 U 0.313E+08 0.000E+00 e 0 0 0 0 310 121.346 3.926 8.092 1 U 0.213E+08 0.000E+00 e 0 0 0 0 311 121.346 4.334 8.096 1 U 0.140E+08 0.000E+00 e 0 0 0 0 313 121.346 8.417 8.095 1 U 0.590E+07 0.000E+00 e 0 0 0 0 314 121.346 8.595 8.092 1 U 0.348E+07 0.000E+00 e 0 0 0 0 315 121.625 8.314 8.061 1 U 0.612E+07 0.000E+00 e 0 0 0 0 316 121.625 8.069 8.066 1 U 0.486E+08 0.000E+00 e 0 0 0 0 317 121.625 3.905 8.059 1 U 0.852E+07 0.000E+00 e 0 0 0 0 318 121.625 1.324 8.065 1 U 0.129E+08 0.000E+00 e 0 0 0 0 319 121.625 0.777 8.061 1 U 0.436E+07 0.000E+00 e 0 0 0 0 320 121.625 2.149 8.059 1 U 0.374E+07 0.000E+00 e 0 0 0 0 321 118.985 0.656 8.054 1 U 0.236E+07 0.000E+00 e 0 0 0 0 322 118.985 0.746 8.056 1 U 0.350E+07 0.000E+00 e 0 0 0 0 323 118.985 2.844 8.057 1 U 0.148E+07 0.000E+00 e 0 0 0 0 324 118.878 2.208 8.098 1 U 0.103E+08 0.000E+00 e 0 0 0 0 325 118.880 2.090 8.097 1 U 0.119E+08 0.000E+00 e 0 0 0 0 326 118.880 1.978 8.098 1 U 0.229E+08 0.000E+00 e 0 0 0 0 327 118.869 1.785 8.098 1 U 0.782E+07 0.000E+00 e 0 0 0 0 328 118.914 3.983 8.096 1 U 0.463E+07 0.000E+00 e 0 0 0 0 329 118.914 4.095 8.097 1 U 0.502E+07 0.000E+00 e 0 0 0 0 330 118.914 4.162 8.095 1 U 0.810E+07 0.000E+00 e 0 0 0 0 331 118.914 8.453 8.099 1 U 0.118E+08 0.000E+00 e 0 0 0 0 332 110.376 1.753 8.564 1 U 0.304E+07 0.000E+00 e 0 0 0 0 333 110.376 3.962 8.565 1 U 0.678E+07 0.000E+00 e 0 0 0 0 334 110.376 4.264 8.565 1 U 0.653E+07 0.000E+00 e 0 0 0 0 335 110.376 4.896 8.559 1 U 0.270E+07 0.000E+00 e 0 0 0 0 336 110.600 8.447 8.437 1 U 0.563E+07 0.000E+00 e 0 0 0 0 337 110.600 7.900 8.442 1 U 0.285E+07 0.000E+00 e 0 0 0 0 338 110.600 4.443 8.431 1 U 0.605E+07 0.000E+00 e 0 0 0 0 340 110.600 3.923 8.434 1 U 0.710E+07 0.000E+00 e 0 0 0 0 342 120.294 8.568 8.560 1 U 0.488E+08 0.000E+00 e 0 0 0 0 343 119.323 4.712 7.875 1 U 0.255E+07 0.000E+00 e 0 0 0 0 345 122.063 9.052 7.860 1 U 0.323E+07 0.000E+00 e 0 0 0 0 346 122.053 8.198 7.859 1 U 0.385E+07 0.000E+00 e 0 0 0 0 347 122.047 4.129 7.863 1 U 0.499E+07 0.000E+00 e 0 0 0 0 348 122.071 3.692 7.862 1 U 0.302E+07 0.000E+00 e 0 0 0 0 349 122.062 3.565 7.864 1 U 0.645E+07 0.000E+00 e 0 0 0 0 357 119.557 8.561 7.868 1 U 0.546E+07 0.000E+00 e 0 0 0 0 358 119.557 7.923 7.867 1 U 0.769E+07 0.000E+00 e 0 0 0 0 359 119.557 7.864 7.867 1 U 0.201E+08 0.000E+00 e 0 0 0 0 361 119.557 4.692 7.872 1 U 0.188E+07 0.000E+00 e 0 0 0 0 362 119.557 4.106 7.873 1 U 0.196E+07 0.000E+00 e 0 0 0 0 363 119.557 3.971 7.869 1 U 0.378E+07 0.000E+00 e 0 0 0 0 364 119.557 0.945 7.872 1 U 0.148E+07 0.000E+00 e 0 0 0 0 365 119.557 1.218 7.867 1 U 0.285E+07 0.000E+00 e 0 0 0 0 366 119.557 1.444 7.872 1 U 0.220E+07 0.000E+00 e 0 0 0 0 367 119.557 1.959 7.872 1 U 0.458E+07 0.000E+00 e 0 0 0 0 368 119.557 2.050 7.867 1 U 0.421E+07 0.000E+00 e 0 0 0 0 369 119.557 2.189 7.869 1 U 0.243E+07 0.000E+00 e 0 0 0 0 370 119.557 2.335 7.863 1 U 0.667E+07 0.000E+00 e 0 0 0 0 371 119.557 2.533 7.863 1 U 0.417E+07 0.000E+00 e 0 0 0 0 372 119.557 2.664 7.859 1 U 0.263E+07 0.000E+00 e 0 0 0 0 373 117.688 0.688 8.239 1 U 0.398E+07 0.000E+00 e 0 0 0 0 374 117.688 0.763 8.236 1 U 0.165E+07 0.000E+00 e 0 0 0 0 375 117.688 0.902 8.240 1 U 0.440E+07 0.000E+00 e 0 0 0 0 376 117.688 1.373 8.240 1 U 0.458E+07 0.000E+00 e 0 0 0 0 377 117.688 1.543 8.236 1 U 0.183E+07 0.000E+00 e 0 0 0 0 378 117.688 1.757 8.240 1 U 0.286E+07 0.000E+00 e 0 0 0 0 379 117.688 1.963 8.236 1 U 0.204E+07 0.000E+00 e 0 0 0 0 380 117.688 2.038 8.238 1 U 0.356E+07 0.000E+00 e 0 0 0 0 381 117.688 2.153 8.235 1 U 0.593E+07 0.000E+00 e 0 0 0 0 382 117.688 3.979 8.231 1 U 0.272E+07 0.000E+00 e 0 0 0 0 383 117.688 3.650 8.239 1 U 0.176E+07 0.000E+00 e 0 0 0 0 384 117.688 8.403 8.240 1 U 0.269E+07 0.000E+00 e 0 0 0 0 385 117.688 8.236 8.239 1 U 0.156E+08 0.000E+00 e 0 0 0 0 386 117.688 8.514 8.242 1 U 0.396E+07 0.000E+00 e 0 0 0 0 387 117.688 4.177 8.226 1 U 0.130E+07 0.000E+00 e 0 0 0 0 388 127.950 7.033 7.052 1 U 0.523E+08 0.000E+00 e 0 0 0 0 390 127.950 3.875 7.052 1 U 0.196E+08 0.000E+00 e 0 0 0 0 391 127.950 3.968 7.058 1 U 0.170E+07 0.000E+00 e 0 0 0 0 392 127.904 2.766 7.051 1 U 0.333E+07 0.000E+00 e 0 0 0 0 393 127.914 1.699 7.050 1 U 0.760E+07 0.000E+00 e 0 0 0 0 394 127.916 1.344 7.050 1 U 0.326E+07 0.000E+00 e 0 0 0 0 395 127.905 1.059 7.048 1 U 0.460E+07 0.000E+00 e 0 0 0 0 396 127.938 0.804 7.049 1 U 0.885E+07 0.000E+00 e 0 0 0 0 397 127.950 2.881 7.055 1 U 0.183E+07 0.000E+00 e 0 0 0 0 398 119.309 2.323 8.197 1 U 0.101E+08 0.000E+00 e 0 0 0 0 399 119.295 2.154 8.196 1 U 0.851E+07 0.000E+00 e 0 0 0 0 400 119.303 2.053 8.197 1 U 0.798E+07 0.000E+00 e 0 0 0 0 401 119.346 1.748 8.196 1 U 0.319E+07 0.000E+00 e 0 0 0 0 402 119.276 1.567 8.198 1 U 0.259E+07 0.000E+00 e 0 0 0 0 403 119.307 0.893 8.196 1 U 0.225E+07 0.000E+00 e 0 0 0 0 404 119.270 4.075 8.197 1 U 0.646E+07 0.000E+00 e 0 0 0 0 405 119.303 8.324 8.196 1 U 0.253E+07 0.000E+00 e 0 0 0 0 406 119.303 8.598 8.195 1 U 0.466E+07 0.000E+00 e 0 0 0 0 407 122.126 1.987 7.863 1 U 0.204E+07 0.000E+00 e 0 0 0 0 408 122.126 1.783 7.861 1 U 0.162E+07 0.000E+00 e 0 0 0 0 409 122.126 0.723 7.856 1 U 0.191E+07 0.000E+00 e 0 0 0 0 410 122.126 0.796 7.857 1 U 0.203E+07 0.000E+00 e 0 0 0 0 411 108.725 0.690 7.916 1 U 0.305E+07 0.000E+00 e 0 0 0 0 412 108.725 0.763 7.917 1 U 0.186E+07 0.000E+00 e 0 0 0 0 413 120.516 1.304 8.222 1 U 0.411E+07 0.000E+00 e 0 0 0 0 414 120.516 1.391 8.226 1 U 0.492E+07 0.000E+00 e 0 0 0 0 415 120.516 1.541 8.226 1 U 0.858E+07 0.000E+00 e 0 0 0 0 416 120.516 1.636 8.227 1 U 0.150E+08 0.000E+00 e 0 0 0 0 417 120.516 1.812 8.224 1 U 0.816E+07 0.000E+00 e 0 0 0 0 418 120.516 4.436 8.223 1 U 0.249E+08 0.000E+00 e 0 0 0 0 419 120.516 4.501 8.226 1 U 0.115E+08 0.000E+00 e 0 0 0 0 420 120.599 4.030 8.168 1 U 0.434E+07 0.000E+00 e 0 0 0 0 421 120.599 4.564 8.167 1 U 0.150E+07 0.000E+00 e 0 0 0 0 422 120.599 2.009 8.177 1 U 0.573E+07 0.000E+00 e 0 0 0 0 423 120.599 2.148 8.176 1 U 0.439E+07 0.000E+00 e 0 0 0 0 424 120.599 2.462 8.162 1 U 0.226E+07 0.000E+00 e 0 0 0 0 425 124.425 0.434 8.423 1 U 0.225E+07 0.000E+00 e 0 0 0 0 426 124.425 0.759 8.418 1 U 0.770E+07 0.000E+00 e 0 0 0 0 428 124.425 1.318 8.416 1 U 0.188E+07 0.000E+00 e 0 0 0 0 429 124.425 1.852 8.418 1 U 0.104E+08 0.000E+00 e 0 0 0 0 430 124.425 1.965 8.418 1 U 0.914E+07 0.000E+00 e 0 0 0 0 431 124.425 2.126 8.419 1 U 0.257E+07 0.000E+00 e 0 0 0 0 432 124.425 2.729 8.422 1 U 0.155E+07 0.000E+00 e 0 0 0 0 433 124.425 4.290 8.423 1 U 0.111E+08 0.000E+00 e 0 0 0 0 434 121.075 4.117 8.018 1 U 0.102E+08 0.000E+00 e 0 0 0 0 435 121.075 0.714 8.022 1 U 0.332E+07 0.000E+00 e 0 0 0 0 436 108.725 1.991 7.917 1 U 0.332E+07 0.000E+00 e 0 0 0 0 437 122.637 1.646 8.353 1 U 0.519E+07 0.000E+00 e 0 0 0 0 438 122.637 1.397 8.358 1 U 0.146E+07 0.000E+00 e 0 0 0 0 439 122.637 1.311 8.357 1 U 0.174E+07 0.000E+00 e 0 0 0 0 440 124.597 4.277 8.423 1 U 0.936E+07 0.000E+00 e 0 0 0 0 441 124.597 1.855 8.425 1 U 0.941E+07 0.000E+00 e 0 0 0 0 442 124.597 1.972 8.423 1 U 0.770E+07 0.000E+00 e 0 0 0 0 443 124.597 2.108 8.419 1 U 0.232E+07 0.000E+00 e 0 0 0 0 444 124.597 1.332 8.418 1 U 0.150E+07 0.000E+00 e 0 0 0 0 445 124.597 0.769 8.421 1 U 0.615E+07 0.000E+00 e 0 0 0 0 446 124.597 0.427 8.419 1 U 0.188E+07 0.000E+00 e 0 0 0 0 447 127.950 7.355 7.049 1 U 0.575E+07 0.000E+00 e 0 0 0 0 448 122.192 1.618 7.349 1 U 0.199E+07 0.000E+00 e 0 0 0 0 449 122.192 2.763 7.354 1 U 0.371E+07 0.000E+00 e 0 0 0 0 450 122.192 2.899 7.349 1 U 0.243E+07 0.000E+00 e 0 0 0 0 451 122.130 4.299 7.350 1 U 0.256E+07 0.000E+00 e 0 0 0 0 452 122.089 3.899 7.352 1 U 0.514E+07 0.000E+00 e 0 0 0 0 453 122.192 3.896 7.350 1 U 0.310E+07 0.000E+00 e 0 0 0 0 454 122.110 7.049 7.352 1 U 0.333E+07 0.000E+00 e 0 0 0 0 457 122.192 7.352 7.356 1 U 0.148E+08 0.000E+00 e 0 0 0 0 458 122.192 1.335 7.352 1 U 0.156E+07 0.000E+00 e 0 0 0 0 459 122.192 1.797 7.350 1 U 0.160E+07 0.000E+00 e 0 0 0 0 460 115.476 3.905 7.322 1 U 0.107E+07 0.000E+00 e 0 0 0 0 461 117.590 2.037 8.650 1 U 0.123E+07 0.000E+00 e 0 0 0 0 462 118.979 2.025 8.050 1 U 0.411E+07 0.000E+00 e 0 0 0 0 463 121.625 2.089 8.057 1 U 0.518E+07 0.000E+00 e 0 0 0 0 464 121.692 2.354 8.487 1 U 0.155E+07 0.000E+00 e 0 0 0 0 465 121.692 3.948 8.492 1 U 0.190E+07 0.000E+00 e 0 0 0 0 466 118.394 8.223 8.520 1 U 0.269E+07 0.000E+00 e 0 0 0 0 467 115.515 9.432 9.427 1 U 0.638E+07 0.000E+00 e 0 0 0 0 468 127.472 2.126 8.904 1 U 0.951E+06 0.000E+00 e 0 0 0 0 469 124.597 4.754 8.416 1 U 0.146E+07 0.000E+00 e 0 0 0 0 470 124.597 8.903 8.418 1 U 0.123E+07 0.000E+00 e 0 0 0 0 471 124.597 8.201 8.417 1 U 0.167E+07 0.000E+00 e 0 0 0 0 472 121.953 8.903 9.039 1 U 0.165E+07 0.000E+00 e 0 0 0 0 473 120.717 8.173 7.951 1 U 0.555E+07 0.000E+00 e 0 0 0 0 474 120.717 8.472 7.946 1 U 0.358E+07 0.000E+00 e 0 0 0 0 475 120.717 4.080 7.949 1 U 0.505E+07 0.000E+00 e 0 0 0 0 476 120.717 2.151 7.953 1 U 0.350E+07 0.000E+00 e 0 0 0 0 477 120.717 2.012 7.950 1 U 0.347E+07 0.000E+00 e 0 0 0 0 478 120.717 1.932 7.953 1 U 0.313E+07 0.000E+00 e 0 0 0 0 479 120.717 1.431 7.954 1 U 0.646E+07 0.000E+00 e 0 0 0 0 480 120.717 0.766 7.951 1 U 0.502E+07 0.000E+00 e 0 0 0 0 481 120.512 7.856 7.935 1 U 0.739E+07 0.000E+00 e 0 0 0 0 482 120.512 3.868 7.935 1 U 0.838E+07 0.000E+00 e 0 0 0 0 483 120.512 2.668 7.939 1 U 0.265E+07 0.000E+00 e 0 0 0 0 484 120.512 2.157 7.944 1 U 0.623E+07 0.000E+00 e 0 0 0 0 485 120.512 2.058 7.949 1 U 0.673E+07 0.000E+00 e 0 0 0 0 486 120.512 1.948 7.948 1 U 0.619E+07 0.000E+00 e 0 0 0 0 487 120.512 1.458 7.943 1 U 0.144E+08 0.000E+00 e 0 0 0 0 488 120.512 0.747 7.942 1 U 0.640E+07 0.000E+00 e 0 0 0 0 489 120.857 7.862 8.191 1 U 0.411E+07 0.000E+00 e 0 0 0 0 490 120.857 4.117 8.180 1 U 0.309E+07 0.000E+00 e 0 0 0 0 491 120.784 7.955 8.182 1 U 0.554E+07 0.000E+00 e 0 0 0 0 492 120.784 8.210 8.179 1 U 0.336E+08 0.000E+00 e 0 0 0 0 493 120.784 2.034 8.171 1 U 0.651E+07 0.000E+00 e 0 0 0 0 494 120.784 2.182 8.173 1 U 0.639E+07 0.000E+00 e 0 0 0 0 495 120.784 2.305 8.170 1 U 0.254E+07 0.000E+00 e 0 0 0 0 496 120.784 2.434 8.172 1 U 0.369E+07 0.000E+00 e 0 0 0 0 497 120.784 4.034 8.181 1 U 0.479E+07 0.000E+00 e 0 0 0 0 498 120.889 8.099 8.411 1 U 0.413E+07 0.000E+00 e 0 0 0 0 499 120.889 8.235 8.406 1 U 0.259E+07 0.000E+00 e 0 0 0 0 500 120.889 2.126 8.409 1 U 0.196E+07 0.000E+00 e 0 0 0 0 501 120.889 2.015 8.412 1 U 0.405E+07 0.000E+00 e 0 0 0 0 502 120.889 1.535 8.409 1 U 0.192E+07 0.000E+00 e 0 0 0 0 503 120.889 1.397 8.416 1 U 0.169E+07 0.000E+00 e 0 0 0 0 504 120.889 0.646 8.414 1 U 0.280E+07 0.000E+00 e 0 0 0 0 505 120.889 0.791 8.410 1 U 0.178E+07 0.000E+00 e 0 0 0 0 506 120.685 3.569 8.199 1 U 0.187E+07 0.000E+00 e 0 0 0 0 507 120.685 4.130 8.194 1 U 0.306E+07 0.000E+00 e 0 0 0 0 508 118.914 3.231 8.097 1 U 0.409E+07 0.000E+00 e 0 0 0 0 509 118.914 2.335 8.096 1 U 0.199E+07 0.000E+00 e 0 0 0 0 510 118.914 8.395 8.099 1 U 0.767E+07 0.000E+00 e 0 0 0 0 511 119.461 2.326 7.866 1 U 0.667E+07 0.000E+00 e 0 0 0 0 512 117.590 1.375 8.653 1 U 0.134E+07 0.000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . 'not observed' 11203.133 Hz . . . 4.7 . . 30974 1 2 . . N 15 N . 'not observed' 1784.093 Hz . . . 118.138 . . 30974 1 3 . . H 1 HN . 'not observed' 4806.519 Hz . . . 4.7 . . 30974 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 30974 _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 8 _Spectral_peak_list.Experiment_name '3D 1H-13C 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 C #INAME 2 H #INAME 3 HC #CYANAFORMAT ChH 1 9.654 8.664 0.729 1 U 0.712E+07 0.000E+00 e 0 0 0 0 2 9.638 8.493 0.726 1 U 0.225E+08 0.000E+00 e 0 0 0 0 3 9.633 8.248 0.725 1 U 0.202E+08 0.000E+00 e 0 0 0 0 4 9.631 8.069 0.728 1 U 0.112E+08 0.000E+00 e 0 0 0 0 5 9.652 7.949 0.727 1 U 0.717E+07 0.000E+00 e 0 0 0 0 6 9.629 4.089 0.726 1 U 0.140E+08 0.000E+00 e 0 0 0 0 7 9.654 3.977 0.726 1 U 0.104E+08 0.000E+00 e 0 0 0 0 8 9.641 3.678 0.725 1 U 0.823E+08 0.000E+00 e 0 0 0 0 9 9.636 2.152 0.725 1 U 0.457E+08 0.000E+00 e 0 0 0 0 10 9.695 1.959 0.725 1 U 0.268E+08 0.000E+00 e 0 0 0 0 11 9.695 1.743 0.728 1 U 0.533E+08 0.000E+00 e 0 0 0 0 12 9.695 1.576 0.728 1 U 0.144E+08 0.000E+00 e 0 0 0 0 13 9.695 1.421 0.728 1 U 0.751E+08 0.000E+00 e 0 0 0 0 14 9.695 0.938 0.725 1 U 0.791E+08 0.000E+00 e 0 0 0 0 15 9.695 0.755 0.723 1 U 0.760E+09 0.000E+00 e 0 0 0 0 16 9.695 3.886 0.726 1 U 0.619E+07 0.000E+00 e 0 0 0 0 17 14.022 8.419 0.443 1 U 0.816E+07 0.000E+00 e 0 0 0 0 18 14.001 8.206 0.445 1 U 0.101E+08 0.000E+00 e 0 0 0 0 19 13.986 7.039 0.448 1 U 0.776E+07 0.000E+00 e 0 0 0 0 21 14.025 4.280 0.445 1 U 0.106E+08 0.000E+00 e 0 0 0 0 22 13.983 1.987 0.447 1 U 0.259E+08 0.000E+00 e 0 0 0 0 23 13.989 1.353 0.446 1 U 0.327E+08 0.000E+00 e 0 0 0 0 24 13.983 1.034 0.446 1 U 0.297E+08 0.000E+00 e 0 0 0 0 25 13.999 0.920 0.445 1 U 0.140E+08 0.000E+00 e 0 0 0 0 26 13.985 0.757 0.446 1 U 0.101E+09 0.000E+00 e 0 0 0 0 27 13.988 0.659 0.446 1 U 0.684E+08 0.000E+00 e 0 0 0 0 28 13.988 0.444 0.446 1 U 0.536E+09 0.000E+00 e 0 0 0 0 29 18.283 8.459 1.463 1 U 0.350E+08 0.000E+00 e 0 0 0 0 30 18.256 8.100 1.464 1 U 0.135E+08 0.000E+00 e 0 0 0 0 31 18.298 7.948 1.464 1 U 0.619E+08 0.000E+00 e 0 0 0 0 32 18.283 3.969 1.464 1 U 0.177E+08 0.000E+00 e 0 0 0 0 33 18.289 3.877 1.464 1 U 0.110E+09 0.000E+00 e 0 0 0 0 34 18.292 0.962 1.464 1 U 0.474E+08 0.000E+00 e 0 0 0 0 35 18.286 0.786 1.463 1 U 0.768E+08 0.000E+00 e 0 0 0 0 36 18.291 0.660 1.464 1 U 0.684E+08 0.000E+00 e 0 0 0 0 37 18.314 1.978 1.461 1 U 0.342E+08 0.000E+00 e 0 0 0 0 38 18.314 2.086 1.459 1 U 0.211E+08 0.000E+00 e 0 0 0 0 39 55.380 1.361 3.899 1 U 0.481E+08 0.000E+00 e 0 0 0 0 40 55.380 8.453 3.886 1 U 0.110E+08 0.000E+00 e 0 0 0 0 41 55.380 7.927 3.882 1 U 0.126E+08 0.000E+00 e 0 0 0 0 42 55.380 1.470 3.882 1 U 0.488E+08 0.000E+00 e 0 0 0 0 43 55.380 2.041 3.880 1 U 0.162E+08 0.000E+00 e 0 0 0 0 44 55.380 0.935 3.879 1 U 0.153E+08 0.000E+00 e 0 0 0 0 45 55.380 0.681 3.875 1 U 0.160E+08 0.000E+00 e 0 0 0 0 46 70.842 4.626 4.330 1 U 0.355E+08 0.000E+00 e 0 0 0 0 47 70.776 4.337 4.337 1 U 0.173E+09 0.000E+00 e 0 0 0 0 48 70.767 1.173 4.337 1 U 0.698E+08 0.000E+00 e 0 0 0 0 49 61.691 4.337 4.621 1 U 0.438E+08 0.000E+00 e 0 0 0 0 51 61.670 1.170 4.621 1 U 0.510E+08 0.000E+00 e 0 0 0 0 52 61.681 0.714 4.622 1 U 0.250E+08 0.000E+00 e 0 0 0 0 53 21.920 4.621 1.174 1 U 0.798E+08 0.000E+00 e 0 0 0 0 54 21.922 4.336 1.173 1 U 0.117E+09 0.000E+00 e 0 0 0 0 55 21.927 1.962 1.174 1 U 0.327E+08 0.000E+00 e 0 0 0 0 56 21.925 1.858 1.174 1 U 0.389E+08 0.000E+00 e 0 0 0 0 57 21.922 1.599 1.174 1 U 0.556E+08 0.000E+00 e 0 0 0 0 58 21.950 0.753 1.176 1 U 0.158E+08 0.000E+00 e 0 0 0 0 59 21.936 2.935 1.174 1 U 0.168E+08 0.000E+00 e 0 0 0 0 61 21.907 9.440 1.174 1 U 0.206E+08 0.000E+00 e 0 0 0 0 62 21.938 8.380 1.175 1 U 0.819E+07 0.000E+00 e 0 0 0 0 63 21.893 7.841 1.175 1 U 0.128E+08 0.000E+00 e 0 0 0 0 64 21.950 4.529 1.175 1 U 0.147E+08 0.000E+00 e 0 0 0 0 65 21.950 4.220 1.172 1 U 0.122E+08 0.000E+00 e 0 0 0 0 66 21.950 2.136 1.171 1 U 0.154E+08 0.000E+00 e 0 0 0 0 67 52.355 2.399 5.364 1 U 0.146E+08 0.000E+00 e 0 0 0 0 68 52.355 2.605 5.364 1 U 0.101E+08 0.000E+00 e 0 0 0 0 69 52.355 4.755 5.364 1 U 0.100E+08 0.000E+00 e 0 0 0 0 71 52.355 5.377 5.368 1 U 0.456E+08 0.000E+00 e 0 0 0 0 72 52.355 8.591 5.366 1 U 0.118E+08 0.000E+00 e 0 0 0 0 73 52.355 8.894 5.368 1 U 0.225E+08 0.000E+00 e 0 0 0 0 77 40.275 5.363 2.602 1 U 0.148E+08 0.000E+00 e 0 0 0 0 78 40.298 5.372 2.394 1 U 0.112E+08 0.000E+00 e 0 0 0 0 79 40.418 4.320 2.598 1 U 0.448E+07 0.000E+00 e 0 0 0 0 80 40.290 2.597 2.599 1 U 0.796E+08 0.000E+00 e 0 0 0 0 81 40.292 2.597 2.395 1 U 0.589E+08 0.000E+00 e 0 0 0 0 82 40.285 2.394 2.600 1 U 0.657E+08 0.000E+00 e 0 0 0 0 83 40.308 2.396 2.395 1 U 0.705E+08 0.000E+00 e 0 0 0 0 84 40.287 0.768 2.600 1 U 0.742E+07 0.000E+00 e 0 0 0 0 85 40.280 0.762 2.391 1 U 0.624E+07 0.000E+00 e 0 0 0 0 86 40.245 8.899 2.395 1 U 0.806E+07 0.000E+00 e 0 0 0 0 87 40.235 8.885 2.600 1 U 0.736E+07 0.000E+00 e 0 0 0 0 88 40.314 8.566 2.598 1 U 0.139E+08 0.000E+00 e 0 0 0 0 89 40.303 8.568 2.397 1 U 0.162E+08 0.000E+00 e 0 0 0 0 90 61.268 8.571 4.286 1 U 0.203E+08 0.000E+00 e 0 0 0 0 91 61.297 0.763 4.292 1 U 0.181E+08 0.000E+00 e 0 0 0 0 92 34.471 0.775 1.876 1 U 0.662E+08 0.000E+00 e 0 0 0 0 93 34.471 1.858 1.872 1 U 0.454E+08 0.000E+00 e 0 0 0 0 94 34.471 2.010 1.869 1 U 0.103E+08 0.000E+00 e 0 0 0 0 95 34.460 4.503 1.861 1 U 0.495E+07 0.000E+00 e 0 0 0 0 96 34.391 4.266 1.868 1 U 0.552E+07 0.000E+00 e 0 0 0 0 97 34.501 8.555 1.870 1 U 0.697E+07 0.000E+00 e 0 0 0 0 98 34.433 8.366 1.866 1 U 0.108E+08 0.000E+00 e 0 0 0 0 99 21.157 9.444 0.771 1 U 0.115E+08 0.000E+00 e 0 0 0 0 100 21.195 8.906 0.771 1 U 0.469E+08 0.000E+00 e 0 0 0 0 101 21.255 8.569 0.775 1 U 0.541E+08 0.000E+00 e 0 0 0 0 102 21.258 8.367 0.777 1 U 0.461E+08 0.000E+00 e 0 0 0 0 103 21.184 8.226 0.771 1 U 0.995E+07 0.000E+00 e 0 0 0 0 104 21.257 8.097 0.777 1 U 0.178E+08 0.000E+00 e 0 0 0 0 105 21.197 7.855 0.772 1 U 0.110E+08 0.000E+00 e 0 0 0 0 106 21.117 7.297 0.769 1 U 0.763E+07 0.000E+00 e 0 0 0 0 107 21.163 7.025 0.771 1 U 0.137E+08 0.000E+00 e 0 0 0 0 110 21.226 5.369 0.772 1 U 0.128E+08 0.000E+00 e 0 0 0 0 111 21.189 4.776 0.771 1 U 0.117E+08 0.000E+00 e 0 0 0 0 112 21.292 4.604 0.781 1 U 0.550E+07 0.000E+00 e 0 0 0 0 113 21.328 4.517 0.780 1 U 0.138E+08 0.000E+00 e 0 0 0 0 114 21.244 4.266 0.774 1 U 0.757E+08 0.000E+00 e 0 0 0 0 115 21.282 3.953 0.778 1 U 0.308E+08 0.000E+00 e 0 0 0 0 116 21.127 4.521 0.781 1 U 0.892E+07 0.000E+00 e 0 0 0 0 117 21.127 3.989 0.771 1 U 0.213E+08 0.000E+00 e 0 0 0 0 118 21.127 3.884 0.770 1 U 0.178E+08 0.000E+00 e 0 0 0 0 119 21.127 1.996 0.774 1 U 0.110E+09 0.000E+00 e 0 0 0 0 120 21.127 1.853 0.778 1 U 0.988E+08 0.000E+00 e 0 0 0 0 121 21.127 1.655 0.779 1 U 0.266E+08 0.000E+00 e 0 0 0 0 122 21.127 1.556 0.776 1 U 0.222E+08 0.000E+00 e 0 0 0 0 123 21.127 1.358 0.775 1 U 0.106E+09 0.000E+00 e 0 0 0 0 124 21.127 0.987 0.771 1 U 0.128E+09 0.000E+00 e 0 0 0 0 125 21.127 0.429 0.765 1 U 0.163E+08 0.000E+00 e 0 0 0 0 126 41.565 8.607 1.750 1 U 0.895E+07 0.000E+00 e 0 0 0 0 127 41.604 8.613 1.576 1 U 0.944E+07 0.000E+00 e 0 0 0 0 128 41.568 8.212 1.749 1 U 0.593E+07 0.000E+00 e 0 0 0 0 129 41.632 8.204 1.576 1 U 0.712E+07 0.000E+00 e 0 0 0 0 130 41.584 4.068 1.751 1 U 0.135E+08 0.000E+00 e 0 0 0 0 131 41.584 1.760 1.751 1 U 0.632E+08 0.000E+00 e 0 0 0 0 132 41.572 1.579 1.751 1 U 0.368E+08 0.000E+00 e 0 0 0 0 133 41.578 0.912 1.751 1 U 0.294E+08 0.000E+00 e 0 0 0 0 134 41.611 0.729 1.752 1 U 0.793E+07 0.000E+00 e 0 0 0 0 135 41.653 4.069 1.576 1 U 0.115E+08 0.000E+00 e 0 0 0 0 136 41.653 0.906 1.574 1 U 0.308E+08 0.000E+00 e 0 0 0 0 137 41.653 0.758 1.571 1 U 0.103E+08 0.000E+00 e 0 0 0 0 138 41.653 1.562 1.575 1 U 0.558E+08 0.000E+00 e 0 0 0 0 139 41.653 1.760 1.572 1 U 0.551E+08 0.000E+00 e 0 0 0 0 140 41.653 7.988 1.570 1 U 0.496E+07 0.000E+00 e 0 0 0 0 141 60.675 7.784 3.671 1 U 0.438E+07 0.000E+00 e 0 0 0 0 142 60.675 8.495 3.675 1 U 0.646E+07 0.000E+00 e 0 0 0 0 143 60.444 2.204 3.674 1 U 0.192E+08 0.000E+00 e 0 0 0 0 144 60.447 1.982 3.675 1 U 0.936E+07 0.000E+00 e 0 0 0 0 145 60.406 1.576 3.671 1 U 0.444E+07 0.000E+00 e 0 0 0 0 146 60.432 1.384 3.675 1 U 0.100E+08 0.000E+00 e 0 0 0 0 147 60.413 0.907 3.675 1 U 0.135E+08 0.000E+00 e 0 0 0 0 148 60.467 0.731 3.676 1 U 0.275E+08 0.000E+00 e 0 0 0 0 149 60.335 2.132 3.673 1 U 0.126E+08 0.000E+00 e 0 0 0 0 150 36.537 3.673 2.213 1 U 0.176E+08 0.000E+00 e 0 0 0 0 151 36.537 3.673 2.194 1 U 0.177E+08 0.000E+00 e 0 0 0 0 152 36.537 8.483 2.229 1 U 0.960E+07 0.000E+00 e 0 0 0 0 153 36.537 8.483 2.208 1 U 0.123E+08 0.000E+00 e 0 0 0 0 154 36.537 7.796 2.208 1 U 0.650E+07 0.000E+00 e 0 0 0 0 155 29.525 3.682 2.245 1 U 0.861E+07 0.000E+00 e 0 0 0 0 156 29.489 3.676 2.105 1 U 0.621E+07 0.000E+00 e 0 0 0 0 157 29.557 2.274 2.247 1 U 0.139E+08 0.000E+00 e 0 0 0 0 158 29.557 2.249 2.107 1 U 0.562E+08 0.000E+00 e 0 0 0 0 159 29.557 8.495 2.242 1 U 0.857E+07 0.000E+00 e 0 0 0 0 160 29.557 8.502 2.145 1 U 0.154E+08 0.000E+00 e 0 0 0 0 161 57.419 8.087 4.154 1 U 0.190E+08 0.000E+00 e 0 0 0 0 162 57.419 1.859 4.147 1 U 0.335E+08 0.000E+00 e 0 0 0 0 163 57.419 1.426 4.156 1 U 0.188E+08 0.000E+00 e 0 0 0 0 164 57.419 0.720 4.149 1 U 0.521E+08 0.000E+00 e 0 0 0 0 165 40.865 0.702 1.878 1 U 0.223E+08 0.000E+00 e 0 0 0 0 166 40.865 1.408 1.874 1 U 0.281E+08 0.000E+00 e 0 0 0 0 167 40.865 1.853 1.870 1 U 0.326E+08 0.000E+00 e 0 0 0 0 168 40.934 4.143 1.877 1 U 0.147E+08 0.000E+00 e 0 0 0 0 169 40.865 4.150 1.417 1 U 0.147E+08 0.000E+00 e 0 0 0 0 170 40.865 1.859 1.418 1 U 0.270E+08 0.000E+00 e 0 0 0 0 171 40.865 1.395 1.415 1 U 0.274E+08 0.000E+00 e 0 0 0 0 172 40.865 0.702 1.420 1 U 0.300E+08 0.000E+00 e 0 0 0 0 173 40.865 8.019 1.874 1 U 0.825E+07 0.000E+00 e 0 0 0 0 174 40.865 8.093 1.875 1 U 0.112E+08 0.000E+00 e 0 0 0 0 175 40.865 8.112 1.413 1 U 0.122E+08 0.000E+00 e 0 0 0 0 176 40.865 8.031 1.417 1 U 0.771E+07 0.000E+00 e 0 0 0 0 177 22.508 8.130 0.716 1 U 0.271E+08 0.000E+00 e 0 0 0 0 178 22.508 8.031 0.714 1 U 0.125E+08 0.000E+00 e 0 0 0 0 179 22.476 4.954 0.715 1 U 0.124E+08 0.000E+00 e 0 0 0 0 180 22.476 4.621 0.714 1 U 0.359E+08 0.000E+00 e 0 0 0 0 181 22.506 4.526 0.714 1 U 0.120E+08 0.000E+00 e 0 0 0 0 182 22.484 4.331 0.715 1 U 0.114E+08 0.000E+00 e 0 0 0 0 183 22.486 4.148 0.714 1 U 0.113E+09 0.000E+00 e 0 0 0 0 184 22.466 3.874 0.714 1 U 0.256E+08 0.000E+00 e 0 0 0 0 185 22.508 1.828 0.716 1 U 0.111E+09 0.000E+00 e 0 0 0 0 186 22.508 1.389 0.714 1 U 0.561E+08 0.000E+00 e 0 0 0 0 187 22.508 1.222 0.714 1 U 0.165E+08 0.000E+00 e 0 0 0 0 188 22.508 0.968 0.716 1 U 0.393E+08 0.000E+00 e 0 0 0 0 189 22.508 2.039 0.714 1 U 0.185E+08 0.000E+00 e 0 0 0 0 190 22.508 8.372 0.719 1 U 0.921E+07 0.000E+00 e 0 0 0 0 191 22.508 9.201 0.711 1 U 0.815E+07 0.000E+00 e 0 0 0 0 192 26.850 8.112 1.834 1 U 0.225E+08 0.000E+00 e 0 0 0 0 193 26.876 4.151 1.829 1 U 0.125E+08 0.000E+00 e 0 0 0 0 194 26.850 3.838 1.829 1 U 0.901E+07 0.000E+00 e 0 0 0 0 195 26.850 1.391 1.825 1 U 0.119E+08 0.000E+00 e 0 0 0 0 196 26.850 0.684 1.825 1 U 0.354E+08 0.000E+00 e 0 0 0 0 197 25.383 2.387 0.658 1 U 0.197E+08 0.000E+00 e 0 0 0 0 198 25.393 2.245 0.658 1 U 0.201E+08 0.000E+00 e 0 0 0 0 199 25.499 2.068 0.657 1 U 0.363E+08 0.000E+00 e 0 0 0 0 200 25.400 1.844 0.657 1 U 0.100E+09 0.000E+00 e 0 0 0 0 201 25.485 1.709 0.658 1 U 0.123E+08 0.000E+00 e 0 0 0 0 202 25.464 1.445 0.657 1 U 0.103E+09 0.000E+00 e 0 0 0 0 203 25.404 1.372 0.653 1 U 0.451E+08 0.000E+00 e 0 0 0 0 204 25.443 0.965 0.658 1 U 0.381E+08 0.000E+00 e 0 0 0 0 205 25.846 4.243 0.665 1 U 0.795E+07 0.000E+00 e 0 0 0 0 206 25.412 4.147 0.656 1 U 0.246E+08 0.000E+00 e 0 0 0 0 207 25.412 3.865 0.657 1 U 0.731E+08 0.000E+00 e 0 0 0 0 208 25.421 8.104 0.657 1 U 0.308E+08 0.000E+00 e 0 0 0 0 209 25.374 7.948 0.658 1 U 0.114E+08 0.000E+00 e 0 0 0 0 210 59.200 8.025 4.142 1 U 0.272E+08 0.000E+00 e 0 0 0 0 211 59.223 1.744 4.133 1 U 0.160E+08 0.000E+00 e 0 0 0 0 212 59.223 1.880 4.138 1 U 0.131E+08 0.000E+00 e 0 0 0 0 213 59.223 2.098 4.138 1 U 0.212E+08 0.000E+00 e 0 0 0 0 214 27.689 8.022 1.846 1 U 0.150E+08 0.000E+00 e 0 0 0 0 215 27.749 8.036 1.714 1 U 0.125E+08 0.000E+00 e 0 0 0 0 216 27.553 7.671 1.848 1 U 0.531E+07 0.000E+00 e 0 0 0 0 217 27.565 7.686 1.716 1 U 0.383E+07 0.000E+00 e 0 0 0 0 218 27.702 4.137 1.841 1 U 0.194E+08 0.000E+00 e 0 0 0 0 219 27.712 4.140 1.715 1 U 0.234E+08 0.000E+00 e 0 0 0 0 220 27.752 3.158 1.845 1 U 0.205E+08 0.000E+00 e 0 0 0 0 221 27.752 3.249 1.841 1 U 0.203E+08 0.000E+00 e 0 0 0 0 222 27.707 3.157 1.714 1 U 0.191E+08 0.000E+00 e 0 0 0 0 223 27.752 3.258 1.709 1 U 0.158E+08 0.000E+00 e 0 0 0 0 224 30.460 7.663 2.244 1 U 0.644E+07 0.000E+00 e 0 0 0 0 225 30.460 7.699 2.079 1 U 0.601E+07 0.000E+00 e 0 0 0 0 226 30.149 4.327 2.077 1 U 0.101E+08 0.000E+00 e 0 0 0 0 227 30.149 4.327 2.246 1 U 0.136E+08 0.000E+00 e 0 0 0 0 228 36.259 8.075 2.582 1 U 0.922E+07 0.000E+00 e 0 0 0 0 229 36.269 7.932 2.577 1 U 0.654E+07 0.000E+00 e 0 0 0 0 230 36.293 7.684 2.578 1 U 0.145E+08 0.000E+00 e 0 0 0 0 231 36.123 8.084 2.348 1 U 0.782E+07 0.000E+00 e 0 0 0 0 232 36.317 7.927 2.333 1 U 0.660E+07 0.000E+00 e 0 0 0 0 233 35.694 7.865 2.354 1 U 0.930E+07 0.000E+00 e 0 0 0 0 234 36.303 7.681 2.338 1 U 0.141E+08 0.000E+00 e 0 0 0 0 235 36.288 4.317 2.576 1 U 0.182E+08 0.000E+00 e 0 0 0 0 236 36.292 4.318 2.343 1 U 0.226E+08 0.000E+00 e 0 0 0 0 237 36.281 2.574 2.577 1 U 0.784E+08 0.000E+00 e 0 0 0 0 238 36.276 2.344 2.577 1 U 0.718E+08 0.000E+00 e 0 0 0 0 239 36.272 2.241 2.577 1 U 0.185E+08 0.000E+00 e 0 0 0 0 240 36.272 2.075 2.578 1 U 0.183E+08 0.000E+00 e 0 0 0 0 241 36.200 2.551 2.347 1 U 0.617E+08 0.000E+00 e 0 0 0 0 242 36.200 2.333 2.347 1 U 0.379E+09 0.000E+00 e 0 0 0 0 243 36.200 2.197 2.347 1 U 0.151E+08 0.000E+00 e 0 0 0 0 244 36.200 2.061 2.351 1 U 0.257E+08 0.000E+00 e 0 0 0 0 245 46.139 3.910 4.087 1 U 0.330E+08 0.000E+00 e 0 0 0 0 246 46.139 4.092 4.082 1 U 0.377E+08 0.000E+00 e 0 0 0 0 247 46.139 4.083 3.899 1 U 0.248E+08 0.000E+00 e 0 0 0 0 248 46.139 3.874 3.904 1 U 0.234E+08 0.000E+00 e 0 0 0 0 249 46.139 7.944 4.078 1 U 0.115E+08 0.000E+00 e 0 0 0 0 250 46.139 7.953 3.899 1 U 0.127E+08 0.000E+00 e 0 0 0 0 251 55.078 1.572 4.446 1 U 0.203E+08 0.000E+00 e 0 0 0 0 252 55.078 1.808 4.448 1 U 0.180E+08 0.000E+00 e 0 0 0 0 253 55.124 8.243 4.449 1 U 0.370E+08 0.000E+00 e 0 0 0 0 254 32.000 8.215 1.633 1 U 0.102E+08 0.000E+00 e 0 0 0 0 255 32.000 8.225 1.814 1 U 0.134E+08 0.000E+00 e 0 0 0 0 256 32.000 4.445 1.827 1 U 0.127E+08 0.000E+00 e 0 0 0 0 257 32.000 4.427 1.635 1 U 0.449E+07 0.000E+00 e 0 0 0 0 258 31.918 3.242 1.625 1 U 0.515E+07 0.000E+00 e 0 0 0 0 259 31.943 3.228 1.809 1 U 0.875E+07 0.000E+00 e 0 0 0 0 260 31.928 1.814 1.633 1 U 0.241E+08 0.000E+00 e 0 0 0 0 261 31.946 1.605 1.633 1 U 0.362E+08 0.000E+00 e 0 0 0 0 262 31.950 1.347 1.633 1 U 0.721E+07 0.000E+00 e 0 0 0 0 263 32.004 0.780 1.632 1 U 0.484E+07 0.000E+00 e 0 0 0 0 264 32.000 1.636 1.814 1 U 0.359E+08 0.000E+00 e 0 0 0 0 265 32.000 1.355 1.812 1 U 0.111E+08 0.000E+00 e 0 0 0 0 266 32.000 1.817 1.814 1 U 0.118E+09 0.000E+00 e 0 0 0 0 267 33.505 4.527 1.649 1 U 0.157E+08 0.000E+00 e 0 0 0 0 268 33.505 4.490 1.600 1 U 0.132E+08 0.000E+00 e 0 0 0 0 269 33.505 2.941 1.655 1 U 0.710E+07 0.000E+00 e 0 0 0 0 270 33.505 2.923 1.615 1 U 0.630E+07 0.000E+00 e 0 0 0 0 271 33.505 1.971 1.656 1 U 0.464E+07 0.000E+00 e 0 0 0 0 272 33.505 1.935 1.622 1 U 0.218E+07 0.000E+00 e 0 0 0 0 273 33.505 1.182 1.655 1 U 0.703E+07 0.000E+00 e 0 0 0 0 274 33.505 1.182 1.620 1 U 0.685E+07 0.000E+00 e 0 0 0 0 275 33.505 1.300 1.655 1 U 0.157E+08 0.000E+00 e 0 0 0 0 276 33.505 1.318 1.624 1 U 0.102E+08 0.000E+00 e 0 0 0 0 277 33.505 1.427 1.658 1 U 0.655E+07 0.000E+00 e 0 0 0 0 278 33.505 1.418 1.613 1 U 0.192E+08 0.000E+00 e 0 0 0 0 279 33.505 1.626 1.655 1 U 0.133E+09 0.000E+00 e 0 0 0 0 280 33.505 1.608 1.629 1 U 0.119E+09 0.000E+00 e 0 0 0 0 281 33.505 0.775 1.656 1 U 0.497E+07 0.000E+00 e 0 0 0 0 282 33.505 0.765 1.624 1 U 0.337E+07 0.000E+00 e 0 0 0 0 283 33.505 8.234 1.646 1 U 0.163E+08 0.000E+00 e 0 0 0 0 284 33.505 8.234 1.618 1 U 0.157E+08 0.000E+00 e 0 0 0 0 285 33.505 8.370 1.642 1 U 0.108E+08 0.000E+00 e 0 0 0 0 286 33.505 8.379 1.609 1 U 0.969E+07 0.000E+00 e 0 0 0 0 287 24.421 8.377 1.395 1 U 0.508E+07 0.000E+00 e 0 0 0 0 288 24.508 8.362 1.295 1 U 0.657E+07 0.000E+00 e 0 0 0 0 289 24.487 8.240 1.394 1 U 0.117E+08 0.000E+00 e 0 0 0 0 290 24.431 8.239 1.296 1 U 0.111E+08 0.000E+00 e 0 0 0 0 291 24.300 4.500 1.395 1 U 0.972E+07 0.000E+00 e 0 0 0 0 292 24.300 4.527 1.294 1 U 0.106E+08 0.000E+00 e 0 0 0 0 293 24.467 2.934 1.395 1 U 0.246E+08 0.000E+00 e 0 0 0 0 294 24.447 2.932 1.297 1 U 0.260E+08 0.000E+00 e 0 0 0 0 295 24.300 1.590 1.397 1 U 0.699E+08 0.000E+00 e 0 0 0 0 296 24.300 0.747 1.388 1 U 0.501E+07 0.000E+00 e 0 0 0 0 297 24.300 0.756 1.289 1 U 0.424E+07 0.000E+00 e 0 0 0 0 298 24.300 1.581 1.298 1 U 0.647E+08 0.000E+00 e 0 0 0 0 299 24.300 1.182 1.292 1 U 0.887E+07 0.000E+00 e 0 0 0 0 300 24.300 1.200 1.394 1 U 0.597E+07 0.000E+00 e 0 0 0 0 301 24.300 1.336 1.397 1 U 0.763E+08 0.000E+00 e 0 0 0 0 302 24.300 1.300 1.303 1 U 0.187E+09 0.000E+00 e 0 0 0 0 303 24.300 1.436 1.312 1 U 0.248E+08 0.000E+00 e 0 0 0 0 304 24.300 1.436 1.399 1 U 0.532E+08 0.000E+00 e 0 0 0 0 305 29.130 2.932 1.586 1 U 0.383E+08 0.000E+00 e 0 0 0 0 306 29.106 2.932 1.540 1 U 0.341E+08 0.000E+00 e 0 0 0 0 307 29.106 2.134 1.550 1 U 0.437E+07 0.000E+00 e 0 0 0 0 308 29.106 2.134 1.597 1 U 0.461E+07 0.000E+00 e 0 0 0 0 309 39.569 9.058 1.672 1 U 0.390E+07 0.000E+00 e 0 0 0 0 310 39.604 8.888 1.673 1 U 0.558E+07 0.000E+00 e 0 0 0 0 311 39.624 4.382 1.667 1 U 0.106E+08 0.000E+00 e 0 0 0 0 312 39.624 0.756 1.666 1 U 0.700E+08 0.000E+00 e 0 0 0 0 313 39.624 1.654 1.664 1 U 0.751E+08 0.000E+00 e 0 0 0 0 314 27.200 3.938 1.359 1 U 0.129E+08 0.000E+00 e 0 0 0 0 315 27.200 4.300 1.354 1 U 0.561E+07 0.000E+00 e 0 0 0 0 316 27.200 7.046 1.350 1 U 0.111E+08 0.000E+00 e 0 0 0 0 317 27.200 7.073 1.087 1 U 0.130E+08 0.000E+00 e 0 0 0 0 318 13.488 1.988 0.754 1 U 0.204E+08 0.000E+00 e 0 0 0 0 319 13.492 1.662 0.751 1 U 0.336E+08 0.000E+00 e 0 0 0 0 320 13.507 1.359 0.753 1 U 0.507E+08 0.000E+00 e 0 0 0 0 321 13.495 1.054 0.753 1 U 0.470E+08 0.000E+00 e 0 0 0 0 322 13.494 4.398 0.753 1 U 0.202E+08 0.000E+00 e 0 0 0 0 323 13.477 9.052 0.755 1 U 0.936E+07 0.000E+00 e 0 0 0 0 324 16.761 9.047 0.723 1 U 0.105E+08 0.000E+00 e 0 0 0 0 325 16.733 8.893 0.721 1 U 0.161E+08 0.000E+00 e 0 0 0 0 326 16.779 8.200 0.717 1 U 0.638E+07 0.000E+00 e 0 0 0 0 327 16.755 4.393 0.723 1 U 0.199E+08 0.000E+00 e 0 0 0 0 328 16.717 3.697 0.726 1 U 0.680E+07 0.000E+00 e 0 0 0 0 329 16.811 1.980 0.727 1 U 0.164E+08 0.000E+00 e 0 0 0 0 330 16.811 1.373 0.725 1 U 0.316E+08 0.000E+00 e 0 0 0 0 331 16.811 1.663 0.727 1 U 0.519E+08 0.000E+00 e 0 0 0 0 332 16.811 1.545 0.721 1 U 0.132E+08 0.000E+00 e 0 0 0 0 333 16.811 1.055 0.725 1 U 0.330E+08 0.000E+00 e 0 0 0 0 334 16.811 1.790 0.732 1 U 0.132E+08 0.000E+00 e 0 0 0 0 335 44.926 0.811 3.957 1 U 0.177E+08 0.000E+00 e 0 0 0 0 336 18.112 8.098 1.341 1 U 0.646E+08 0.000E+00 e 0 0 0 0 337 18.112 3.919 1.343 1 U 0.593E+08 0.000E+00 e 0 0 0 0 338 18.112 1.844 1.347 1 U 0.271E+08 0.000E+00 e 0 0 0 0 339 18.112 1.590 1.341 1 U 0.212E+08 0.000E+00 e 0 0 0 0 340 18.112 1.336 1.339 1 U 0.490E+09 0.000E+00 e 0 0 0 0 341 18.112 0.756 1.341 1 U 0.952E+08 0.000E+00 e 0 0 0 0 342 39.653 8.424 1.990 1 U 0.652E+07 0.000E+00 e 0 0 0 0 343 39.653 8.188 1.988 1 U 0.707E+07 0.000E+00 e 0 0 0 0 344 39.653 4.264 1.988 1 U 0.583E+07 0.000E+00 e 0 0 0 0 345 39.653 1.989 1.988 1 U 0.386E+08 0.000E+00 e 0 0 0 0 346 39.653 1.355 1.990 1 U 0.681E+07 0.000E+00 e 0 0 0 0 347 39.653 1.001 1.990 1 U 0.478E+07 0.000E+00 e 0 0 0 0 348 39.653 0.457 1.988 1 U 0.797E+07 0.000E+00 e 0 0 0 0 349 39.653 0.747 1.990 1 U 0.300E+08 0.000E+00 e 0 0 0 0 350 62.434 7.052 3.915 1 U 0.238E+08 0.000E+00 e 0 0 0 0 351 62.413 1.711 3.916 1 U 0.259E+08 0.000E+00 e 0 0 0 0 352 62.322 1.359 3.911 1 U 0.956E+07 0.000E+00 e 0 0 0 0 353 62.543 1.082 3.915 1 U 0.125E+08 0.000E+00 e 0 0 0 0 354 62.452 0.818 3.916 1 U 0.422E+08 0.000E+00 e 0 0 0 0 355 39.680 3.919 1.718 1 U 0.235E+08 0.000E+00 e 0 0 0 0 356 39.680 1.717 1.722 1 U 0.270E+09 0.000E+00 e 0 0 0 0 357 39.680 0.802 1.718 1 U 0.762E+08 0.000E+00 e 0 0 0 0 358 39.680 7.055 1.713 1 U 0.179E+08 0.000E+00 e 0 0 0 0 359 39.701 1.364 1.720 1 U 0.197E+08 0.000E+00 e 0 0 0 0 360 27.020 3.901 1.082 1 U 0.113E+08 0.000E+00 e 0 0 0 0 361 27.020 3.874 1.356 1 U 0.718E+07 0.000E+00 e 0 0 0 0 362 26.879 0.446 1.349 1 U 0.177E+08 0.000E+00 e 0 0 0 0 364 27.020 1.065 1.357 1 U 0.126E+09 0.000E+00 e 0 0 0 0 365 27.020 1.074 1.082 1 U 0.279E+09 0.000E+00 e 0 0 0 0 366 27.020 0.811 1.076 1 U 0.761E+08 0.000E+00 e 0 0 0 0 367 27.020 0.747 1.354 1 U 0.776E+08 0.000E+00 e 0 0 0 0 368 27.020 1.699 1.363 1 U 0.297E+08 0.000E+00 e 0 0 0 0 369 27.020 1.690 1.084 1 U 0.131E+08 0.000E+00 e 0 0 0 0 370 27.020 1.989 1.359 1 U 0.152E+08 0.000E+00 e 0 0 0 0 372 17.658 7.337 0.814 1 U 0.686E+07 0.000E+00 e 0 0 0 0 373 17.636 7.052 0.823 1 U 0.233E+08 0.000E+00 e 0 0 0 0 375 17.641 3.917 0.823 1 U 0.426E+08 0.000E+00 e 0 0 0 0 376 17.635 1.713 0.824 1 U 0.791E+08 0.000E+00 e 0 0 0 0 377 17.633 1.352 0.823 1 U 0.334E+08 0.000E+00 e 0 0 0 0 378 17.636 1.081 0.823 1 U 0.377E+08 0.000E+00 e 0 0 0 0 379 17.634 0.936 0.824 1 U 0.833E+08 0.000E+00 e 0 0 0 0 380 17.636 0.822 0.823 1 U 0.291E+10 0.000E+00 e 0 0 0 0 381 13.418 3.913 0.814 1 U 0.278E+08 0.000E+00 e 0 0 0 0 382 13.425 1.719 0.813 1 U 0.511E+08 0.000E+00 e 0 0 0 0 383 13.435 1.353 0.813 1 U 0.970E+08 0.000E+00 e 0 0 0 0 384 13.435 1.078 0.813 1 U 0.817E+08 0.000E+00 e 0 0 0 0 385 13.427 7.046 0.813 1 U 0.148E+08 0.000E+00 e 0 0 0 0 390 39.669 7.364 2.900 1 U 0.461E+07 0.000E+00 e 0 0 0 0 391 39.669 7.364 2.780 1 U 0.916E+07 0.000E+00 e 0 0 0 0 392 39.669 3.883 2.777 1 U 0.619E+07 0.000E+00 e 0 0 0 0 393 39.669 0.747 2.782 1 U 0.509E+07 0.000E+00 e 0 0 0 0 394 39.669 0.756 2.898 1 U 0.456E+07 0.000E+00 e 0 0 0 0 395 39.669 0.648 2.782 1 U 0.521E+07 0.000E+00 e 0 0 0 0 396 39.669 2.904 2.893 1 U 0.169E+08 0.000E+00 e 0 0 0 0 397 39.669 2.904 2.789 1 U 0.136E+08 0.000E+00 e 0 0 0 0 398 39.669 2.768 2.793 1 U 0.221E+08 0.000E+00 e 0 0 0 0 399 39.669 2.750 2.898 1 U 0.858E+07 0.000E+00 e 0 0 0 0 400 58.964 7.315 3.846 1 U 0.923E+07 0.000E+00 e 0 0 0 0 401 59.008 8.678 3.841 1 U 0.810E+07 0.000E+00 e 0 0 0 0 402 58.993 1.902 3.843 1 U 0.159E+08 0.000E+00 e 0 0 0 0 403 58.971 1.805 3.845 1 U 0.255E+08 0.000E+00 e 0 0 0 0 404 58.982 1.598 3.846 1 U 0.155E+08 0.000E+00 e 0 0 0 0 405 59.002 0.924 3.845 1 U 0.195E+08 0.000E+00 e 0 0 0 0 406 58.981 0.818 3.846 1 U 0.109E+08 0.000E+00 e 0 0 0 0 407 30.100 7.336 1.783 1 U 0.641E+07 0.000E+00 e 0 0 0 0 408 30.100 7.336 1.635 1 U 0.711E+07 0.000E+00 e 0 0 0 0 409 30.136 4.318 1.629 1 U 0.689E+07 0.000E+00 e 0 0 0 0 410 30.136 4.318 1.800 1 U 0.894E+07 0.000E+00 e 0 0 0 0 411 30.136 3.068 1.798 1 U 0.124E+08 0.000E+00 e 0 0 0 0 412 30.136 3.058 1.635 1 U 0.674E+07 0.000E+00 e 0 0 0 0 413 30.136 1.617 1.644 1 U 0.317E+08 0.000E+00 e 0 0 0 0 414 30.136 1.808 1.635 1 U 0.190E+08 0.000E+00 e 0 0 0 0 415 30.136 1.808 1.785 1 U 0.494E+08 0.000E+00 e 0 0 0 0 416 30.136 1.626 1.789 1 U 0.355E+08 0.000E+00 e 0 0 0 0 417 43.200 7.336 3.069 1 U 0.202E+08 0.000E+00 e 0 0 0 0 418 43.200 4.318 3.063 1 U 0.178E+08 0.000E+00 e 0 0 0 0 419 43.200 4.889 3.067 1 U 0.150E+08 0.000E+00 e 0 0 0 0 420 30.272 3.956 1.797 1 U 0.950E+07 0.000E+00 e 0 0 0 0 421 30.211 3.958 1.920 1 U 0.103E+08 0.000E+00 e 0 0 0 0 422 30.276 3.842 1.907 1 U 0.141E+08 0.000E+00 e 0 0 0 0 423 30.232 3.844 1.802 1 U 0.142E+08 0.000E+00 e 0 0 0 0 424 30.136 8.669 1.905 1 U 0.122E+08 0.000E+00 e 0 0 0 0 425 30.136 8.669 1.801 1 U 0.112E+08 0.000E+00 e 0 0 0 0 426 30.136 7.364 1.814 1 U 0.666E+07 0.000E+00 e 0 0 0 0 427 30.136 0.901 1.803 1 U 0.891E+07 0.000E+00 e 0 0 0 0 428 30.136 0.910 1.916 1 U 0.118E+08 0.000E+00 e 0 0 0 0 429 28.612 8.660 1.600 1 U 0.645E+07 0.000E+00 e 0 0 0 0 430 28.577 8.667 1.818 1 U 0.787E+07 0.000E+00 e 0 0 0 0 431 28.589 7.309 1.814 1 U 0.568E+07 0.000E+00 e 0 0 0 0 432 28.635 3.972 1.811 1 U 0.667E+07 0.000E+00 e 0 0 0 0 433 28.562 3.847 1.816 1 U 0.131E+08 0.000E+00 e 0 0 0 0 434 28.589 3.847 1.598 1 U 0.170E+08 0.000E+00 e 0 0 0 0 435 28.589 0.938 1.814 1 U 0.128E+08 0.000E+00 e 0 0 0 0 436 28.589 0.938 1.602 1 U 0.152E+08 0.000E+00 e 0 0 0 0 437 57.681 1.767 4.069 1 U 0.125E+08 0.000E+00 e 0 0 0 0 438 57.652 1.585 4.069 1 U 0.117E+08 0.000E+00 e 0 0 0 0 439 57.637 1.418 4.073 1 U 0.765E+07 0.000E+00 e 0 0 0 0 440 57.637 0.738 4.075 1 U 0.136E+08 0.000E+00 e 0 0 0 0 441 57.637 0.892 4.080 1 U 0.175E+08 0.000E+00 e 0 0 0 0 442 25.503 4.072 0.940 1 U 0.301E+08 0.000E+00 e 0 0 0 0 443 25.494 3.842 0.941 1 U 0.289E+08 0.000E+00 e 0 0 0 0 444 25.488 3.680 0.938 1 U 0.115E+08 0.000E+00 e 0 0 0 0 445 25.511 8.649 0.939 1 U 0.169E+08 0.000E+00 e 0 0 0 0 446 25.510 8.200 0.944 1 U 0.907E+07 0.000E+00 e 0 0 0 0 447 25.498 1.980 0.943 1 U 0.274E+08 0.000E+00 e 0 0 0 0 448 25.500 1.770 0.940 1 U 0.102E+09 0.000E+00 e 0 0 0 0 449 25.503 1.586 0.940 1 U 0.517E+08 0.000E+00 e 0 0 0 0 450 25.506 1.398 0.940 1 U 0.269E+08 0.000E+00 e 0 0 0 0 451 25.553 0.756 0.946 1 U 0.872E+08 0.000E+00 e 0 0 0 0 452 39.554 7.624 2.801 1 U 0.507E+07 0.000E+00 e 0 0 0 0 453 39.554 7.624 2.760 1 U 0.415E+07 0.000E+00 e 0 0 0 0 454 21.315 2.347 1.224 1 U 0.878E+07 0.000E+00 e 0 0 0 0 455 21.327 2.077 1.224 1 U 0.133E+08 0.000E+00 e 0 0 0 0 456 21.317 9.223 1.224 1 U 0.276E+08 0.000E+00 e 0 0 0 0 457 21.306 8.573 1.224 1 U 0.149E+08 0.000E+00 e 0 0 0 0 458 21.310 7.851 1.224 1 U 0.392E+08 0.000E+00 e 0 0 0 0 460 21.351 4.937 1.223 1 U 0.527E+08 0.000E+00 e 0 0 0 0 461 21.351 4.701 1.230 1 U 0.732E+08 0.000E+00 e 0 0 0 0 462 21.351 0.692 1.226 1 U 0.125E+08 0.000E+00 e 0 0 0 0 463 59.546 9.226 3.874 1 U 0.114E+08 0.000E+00 e 0 0 0 0 464 59.626 2.235 3.876 1 U 0.132E+08 0.000E+00 e 0 0 0 0 465 59.582 2.079 3.876 1 U 0.280E+08 0.000E+00 e 0 0 0 0 466 59.577 1.462 3.877 1 U 0.301E+08 0.000E+00 e 0 0 0 0 467 59.595 0.660 3.875 1 U 0.247E+08 0.000E+00 e 0 0 0 0 468 29.343 9.226 2.092 1 U 0.349E+08 0.000E+00 e 0 0 0 0 469 29.343 9.237 2.070 1 U 0.221E+08 0.000E+00 e 0 0 0 0 470 36.381 8.521 2.407 1 U 0.212E+08 0.000E+00 e 0 0 0 0 471 36.362 8.520 2.316 1 U 0.215E+08 0.000E+00 e 0 0 0 0 472 36.989 9.221 2.393 1 U 0.166E+08 0.000E+00 e 0 0 0 0 473 36.959 9.222 2.247 1 U 0.104E+08 0.000E+00 e 0 0 0 0 474 36.969 3.872 2.392 1 U 0.236E+08 0.000E+00 e 0 0 0 0 475 36.968 3.873 2.244 1 U 0.250E+08 0.000E+00 e 0 0 0 0 476 60.174 1.942 3.840 1 U 0.199E+08 0.000E+00 e 0 0 0 0 477 60.178 1.839 3.839 1 U 0.295E+08 0.000E+00 e 0 0 0 0 478 60.150 1.709 3.841 1 U 0.251E+08 0.000E+00 e 0 0 0 0 479 60.139 1.327 3.840 1 U 0.174E+08 0.000E+00 e 0 0 0 0 480 60.175 0.659 3.837 1 U 0.150E+08 0.000E+00 e 0 0 0 0 481 60.194 8.337 3.840 1 U 0.628E+07 0.000E+00 e 0 0 0 0 482 60.182 8.081 3.841 1 U 0.221E+08 0.000E+00 e 0 0 0 0 483 60.175 1.444 3.837 1 U 0.901E+07 0.000E+00 e 0 0 0 0 484 60.175 2.068 3.844 1 U 0.820E+07 0.000E+00 e 0 0 0 0 485 60.175 2.229 3.840 1 U 0.692E+07 0.000E+00 e 0 0 0 0 486 32.210 8.081 1.946 1 U 0.200E+08 0.000E+00 e 0 0 0 0 487 32.174 4.129 1.948 1 U 0.971E+07 0.000E+00 e 0 0 0 0 488 32.159 3.833 1.946 1 U 0.129E+08 0.000E+00 e 0 0 0 0 489 32.287 3.819 1.842 1 U 0.190E+08 0.000E+00 e 0 0 0 0 490 32.287 4.120 1.840 1 U 0.833E+07 0.000E+00 e 0 0 0 0 491 32.287 8.076 1.834 1 U 0.185E+08 0.000E+00 e 0 0 0 0 492 32.279 8.320 1.945 1 U 0.610E+07 0.000E+00 e 0 0 0 0 493 32.287 8.323 1.832 1 U 0.569E+07 0.000E+00 e 0 0 0 0 494 32.176 1.324 1.948 1 U 0.124E+08 0.000E+00 e 0 0 0 0 495 32.287 1.294 1.830 1 U 0.164E+08 0.000E+00 e 0 0 0 0 496 32.002 0.778 1.843 1 U 0.102E+08 0.000E+00 e 0 0 0 0 497 32.287 0.745 1.952 1 U 0.122E+08 0.000E+00 e 0 0 0 0 498 32.287 1.691 1.944 1 U 0.233E+08 0.000E+00 e 0 0 0 0 499 32.287 1.702 1.836 1 U 0.374E+08 0.000E+00 e 0 0 0 0 500 32.287 2.105 1.948 1 U 0.624E+07 0.000E+00 e 0 0 0 0 501 32.287 2.091 1.826 1 U 0.679E+07 0.000E+00 e 0 0 0 0 502 58.496 3.158 3.931 1 U 0.859E+07 0.000E+00 e 0 0 0 0 503 58.545 2.413 3.931 1 U 0.237E+08 0.000E+00 e 0 0 0 0 504 58.583 1.720 3.932 1 U 0.893E+07 0.000E+00 e 0 0 0 0 505 58.583 1.826 3.933 1 U 0.101E+08 0.000E+00 e 0 0 0 0 506 58.583 1.985 3.932 1 U 0.178E+08 0.000E+00 e 0 0 0 0 507 58.583 2.131 3.927 1 U 0.234E+08 0.000E+00 e 0 0 0 0 508 58.498 8.320 3.932 1 U 0.137E+08 0.000E+00 e 0 0 0 0 509 58.549 8.052 3.932 1 U 0.166E+08 0.000E+00 e 0 0 0 0 510 27.545 8.318 2.100 1 U 0.164E+08 0.000E+00 e 0 0 0 0 511 27.557 8.315 2.169 1 U 0.165E+08 0.000E+00 e 0 0 0 0 512 27.578 8.081 2.174 1 U 0.150E+08 0.000E+00 e 0 0 0 0 513 27.566 8.083 2.102 1 U 0.152E+08 0.000E+00 e 0 0 0 0 514 27.518 4.434 2.082 1 U 0.679E+07 0.000E+00 e 0 0 0 0 515 27.489 4.424 2.172 1 U 0.819E+07 0.000E+00 e 0 0 0 0 516 27.514 4.419 2.101 1 U 0.846E+07 0.000E+00 e 0 0 0 0 517 27.524 3.929 2.169 1 U 0.184E+08 0.000E+00 e 0 0 0 0 518 27.525 3.931 2.100 1 U 0.181E+08 0.000E+00 e 0 0 0 0 519 27.540 2.403 2.168 1 U 0.358E+08 0.000E+00 e 0 0 0 0 520 27.537 2.402 2.102 1 U 0.363E+08 0.000E+00 e 0 0 0 0 521 27.536 2.124 2.168 1 U 0.625E+08 0.000E+00 e 0 0 0 0 522 27.525 2.113 2.102 1 U 0.622E+08 0.000E+00 e 0 0 0 0 523 32.801 8.323 2.405 1 U 0.250E+08 0.000E+00 e 0 0 0 0 524 32.790 8.078 2.398 1 U 0.420E+08 0.000E+00 e 0 0 0 0 526 32.787 3.931 2.397 1 U 0.310E+08 0.000E+00 e 0 0 0 0 527 32.795 2.408 2.407 1 U 0.549E+09 0.000E+00 e 0 0 0 0 528 32.792 2.121 2.408 1 U 0.616E+08 0.000E+00 e 0 0 0 0 529 32.760 8.067 2.427 1 U 0.266E+08 0.000E+00 e 0 0 0 0 530 32.760 8.326 2.429 1 U 0.198E+08 0.000E+00 e 0 0 0 0 531 32.760 3.927 2.432 1 U 0.261E+08 0.000E+00 e 0 0 0 0 532 32.760 2.410 2.432 1 U 0.436E+09 0.000E+00 e 0 0 0 0 533 32.760 2.128 2.432 1 U 0.508E+08 0.000E+00 e 0 0 0 0 534 35.400 4.104 2.406 1 U 0.103E+08 0.000E+00 e 0 0 0 0 535 35.400 4.092 2.352 1 U 0.293E+08 0.000E+00 e 0 0 0 0 536 35.348 7.783 2.420 1 U 0.170E+08 0.000E+00 e 0 0 0 0 537 35.336 7.784 2.353 1 U 0.184E+08 0.000E+00 e 0 0 0 0 538 35.400 8.514 2.420 1 U 0.583E+07 0.000E+00 e 0 0 0 0 539 35.400 8.503 2.352 1 U 0.757E+07 0.000E+00 e 0 0 0 0 540 35.400 2.104 2.403 1 U 0.582E+08 0.000E+00 e 0 0 0 0 541 35.400 2.104 2.349 1 U 0.991E+08 0.000E+00 e 0 0 0 0 542 35.400 2.363 2.411 1 U 0.212E+09 0.000E+00 e 0 0 0 0 543 35.400 2.375 2.352 1 U 0.555E+09 0.000E+00 e 0 0 0 0 544 40.876 8.684 2.692 1 U 0.918E+07 0.000E+00 e 0 0 0 0 545 40.992 8.493 2.907 1 U 0.164E+08 0.000E+00 e 0 0 0 0 546 40.903 8.506 2.689 1 U 0.156E+08 0.000E+00 e 0 0 0 0 547 40.901 4.423 2.909 1 U 0.135E+08 0.000E+00 e 0 0 0 0 548 40.913 4.425 2.690 1 U 0.171E+08 0.000E+00 e 0 0 0 0 549 41.662 4.121 2.907 1 U 0.204E+08 0.000E+00 e 0 0 0 0 550 40.926 4.118 2.693 1 U 0.727E+07 0.000E+00 e 0 0 0 0 551 40.847 0.783 2.912 1 U 0.126E+08 0.000E+00 e 0 0 0 0 552 40.883 0.779 2.691 1 U 0.161E+08 0.000E+00 e 0 0 0 0 553 41.076 8.679 2.909 1 U 0.615E+07 0.000E+00 e 0 0 0 0 554 41.076 4.115 2.916 1 U 0.304E+07 0.000E+00 e 0 0 0 0 555 57.519 2.692 4.431 1 U 0.220E+08 0.000E+00 e 0 0 0 0 556 57.519 2.904 4.429 1 U 0.172E+08 0.000E+00 e 0 0 0 0 557 36.394 3.959 2.408 1 U 0.300E+08 0.000E+00 e 0 0 0 0 558 36.360 3.956 2.312 1 U 0.305E+08 0.000E+00 e 0 0 0 0 559 36.375 1.812 2.321 1 U 0.788E+07 0.000E+00 e 0 0 0 0 560 36.337 1.802 2.405 1 U 0.801E+07 0.000E+00 e 0 0 0 0 561 36.746 1.779 2.336 1 U 0.641E+07 0.000E+00 e 0 0 0 0 562 36.467 1.617 2.315 1 U 0.715E+07 0.000E+00 e 0 0 0 0 563 36.393 1.606 2.407 1 U 0.859E+07 0.000E+00 e 0 0 0 0 564 36.571 0.914 2.325 1 U 0.722E+07 0.000E+00 e 0 0 0 0 565 36.400 0.911 2.405 1 U 0.849E+07 0.000E+00 e 0 0 0 0 566 35.570 1.770 2.152 1 U 0.111E+08 0.000E+00 e 0 0 0 0 567 35.539 1.382 2.151 1 U 0.114E+08 0.000E+00 e 0 0 0 0 568 35.562 0.910 2.150 1 U 0.249E+08 0.000E+00 e 0 0 0 0 569 35.538 0.726 2.149 1 U 0.119E+08 0.000E+00 e 0 0 0 0 570 35.510 3.980 2.152 1 U 0.733E+07 0.000E+00 e 0 0 0 0 571 35.538 3.676 2.150 1 U 0.935E+07 0.000E+00 e 0 0 0 0 572 35.543 8.508 2.151 1 U 0.671E+07 0.000E+00 e 0 0 0 0 573 35.590 8.250 2.150 1 U 0.127E+08 0.000E+00 e 0 0 0 0 574 35.622 8.105 2.149 1 U 0.476E+07 0.000E+00 e 0 0 0 0 575 62.796 2.161 3.676 1 U 0.120E+08 0.000E+00 e 0 0 0 0 576 62.747 2.059 3.680 1 U 0.860E+07 0.000E+00 e 0 0 0 0 577 62.875 1.962 3.675 1 U 0.868E+07 0.000E+00 e 0 0 0 0 578 62.744 1.767 3.678 1 U 0.737E+07 0.000E+00 e 0 0 0 0 579 62.797 1.386 3.677 1 U 0.125E+08 0.000E+00 e 0 0 0 0 580 62.800 0.913 3.679 1 U 0.249E+08 0.000E+00 e 0 0 0 0 581 62.787 0.729 3.679 1 U 0.343E+08 0.000E+00 e 0 0 0 0 582 62.726 8.496 3.681 1 U 0.757E+07 0.000E+00 e 0 0 0 0 583 17.686 3.964 0.910 1 U 0.209E+08 0.000E+00 e 0 0 0 0 584 17.673 3.681 0.909 1 U 0.506E+08 0.000E+00 e 0 0 0 0 585 17.718 3.184 0.909 1 U 0.980E+07 0.000E+00 e 0 0 0 0 586 17.712 3.091 0.909 1 U 0.101E+08 0.000E+00 e 0 0 0 0 587 17.673 2.151 0.909 1 U 0.792E+08 0.000E+00 e 0 0 0 0 588 17.682 1.772 0.909 1 U 0.558E+08 0.000E+00 e 0 0 0 0 589 17.699 1.589 0.909 1 U 0.274E+08 0.000E+00 e 0 0 0 0 590 17.685 1.381 0.909 1 U 0.434E+08 0.000E+00 e 0 0 0 0 591 17.655 8.653 0.906 1 U 0.886E+07 0.000E+00 e 0 0 0 0 592 17.647 8.515 0.910 1 U 0.213E+08 0.000E+00 e 0 0 0 0 593 17.640 8.245 0.909 1 U 0.214E+08 0.000E+00 e 0 0 0 0 594 17.630 0.740 0.910 1 U 0.103E+09 0.000E+00 e 0 0 0 0 595 21.721 9.442 0.966 1 U 0.136E+08 0.000E+00 e 0 0 0 0 596 21.726 8.910 0.966 1 U 0.760E+07 0.000E+00 e 0 0 0 0 597 21.727 8.388 0.963 1 U 0.531E+07 0.000E+00 e 0 0 0 0 598 21.779 8.076 0.965 1 U 0.382E+07 0.000E+00 e 0 0 0 0 599 21.720 7.939 0.966 1 U 0.181E+08 0.000E+00 e 0 0 0 0 600 21.737 7.854 0.966 1 U 0.189E+08 0.000E+00 e 0 0 0 0 601 21.675 4.631 0.971 1 U 0.659E+07 0.000E+00 e 0 0 0 0 602 21.728 4.217 0.967 1 U 0.253E+08 0.000E+00 e 0 0 0 0 603 21.694 3.976 0.969 1 U 0.937E+07 0.000E+00 e 0 0 0 0 604 21.734 3.879 0.966 1 U 0.246E+08 0.000E+00 e 0 0 0 0 605 21.736 2.678 0.967 1 U 0.115E+08 0.000E+00 e 0 0 0 0 606 21.732 2.005 0.966 1 U 0.545E+08 0.000E+00 e 0 0 0 0 607 21.718 1.865 0.967 1 U 0.161E+08 0.000E+00 e 0 0 0 0 608 21.729 1.463 0.967 1 U 0.501E+08 0.000E+00 e 0 0 0 0 609 21.733 0.965 0.967 1 U 0.537E+09 0.000E+00 e 0 0 0 0 610 21.742 0.768 0.966 1 U 0.151E+09 0.000E+00 e 0 0 0 0 611 21.568 0.669 0.973 1 U 0.429E+08 0.000E+00 e 0 0 0 0 612 31.100 4.786 1.860 1 U 0.878E+07 0.000E+00 e 0 0 0 0 613 31.100 8.397 1.862 1 U 0.621E+07 0.000E+00 e 0 0 0 0 614 31.100 8.891 1.862 1 U 0.321E+07 0.000E+00 e 0 0 0 0 615 31.100 2.116 1.855 1 U 0.199E+08 0.000E+00 e 0 0 0 0 616 31.100 1.187 1.862 1 U 0.537E+07 0.000E+00 e 0 0 0 0 617 31.100 0.787 1.855 1 U 0.458E+07 0.000E+00 e 0 0 0 0 618 36.704 4.782 2.134 1 U 0.101E+08 0.000E+00 e 0 0 0 0 619 36.667 4.783 1.967 1 U 0.859E+07 0.000E+00 e 0 0 0 0 620 36.679 8.922 1.968 1 U 0.551E+07 0.000E+00 e 0 0 0 0 621 36.734 8.898 2.134 1 U 0.759E+07 0.000E+00 e 0 0 0 0 622 36.697 8.429 2.133 1 U 0.134E+08 0.000E+00 e 0 0 0 0 623 36.771 8.428 1.966 1 U 0.846E+07 0.000E+00 e 0 0 0 0 624 36.721 2.129 2.132 1 U 0.285E+09 0.000E+00 e 0 0 0 0 625 36.718 2.128 1.965 1 U 0.106E+09 0.000E+00 e 0 0 0 0 626 36.719 1.965 2.132 1 U 0.125E+09 0.000E+00 e 0 0 0 0 627 36.720 1.965 1.966 1 U 0.180E+09 0.000E+00 e 0 0 0 0 628 36.721 1.861 2.132 1 U 0.610E+08 0.000E+00 e 0 0 0 0 629 36.716 1.859 1.965 1 U 0.617E+08 0.000E+00 e 0 0 0 0 630 36.765 1.595 2.129 1 U 0.838E+07 0.000E+00 e 0 0 0 0 631 36.785 1.587 1.964 1 U 0.593E+07 0.000E+00 e 0 0 0 0 632 36.693 1.170 2.131 1 U 0.116E+08 0.000E+00 e 0 0 0 0 633 36.699 1.168 1.964 1 U 0.174E+08 0.000E+00 e 0 0 0 0 634 36.714 0.764 2.133 1 U 0.864E+07 0.000E+00 e 0 0 0 0 635 36.671 0.744 1.964 1 U 0.422E+07 0.000E+00 e 0 0 0 0 636 36.826 4.322 1.965 1 U 0.541E+07 0.000E+00 e 0 0 0 0 637 18.596 1.984 0.758 1 U 0.638E+08 0.000E+00 e 0 0 0 0 638 18.593 1.850 0.758 1 U 0.111E+08 0.000E+00 e 0 0 0 0 639 18.600 1.354 0.757 1 U 0.379E+08 0.000E+00 e 0 0 0 0 640 18.599 1.035 0.757 1 U 0.388E+08 0.000E+00 e 0 0 0 0 641 18.610 0.935 0.760 1 U 0.186E+08 0.000E+00 e 0 0 0 0 642 18.585 0.870 0.761 1 U 0.189E+08 0.000E+00 e 0 0 0 0 643 18.599 0.756 0.757 1 U 0.919E+09 0.000E+00 e 0 0 0 0 644 18.595 0.650 0.759 1 U 0.323E+08 0.000E+00 e 0 0 0 0 645 18.601 0.444 0.757 1 U 0.554E+08 0.000E+00 e 0 0 0 0 646 18.605 4.289 0.757 1 U 0.360E+08 0.000E+00 e 0 0 0 0 647 18.613 7.038 0.758 1 U 0.134E+08 0.000E+00 e 0 0 0 0 649 18.600 8.432 0.757 1 U 0.319E+08 0.000E+00 e 0 0 0 0 650 18.605 8.207 0.758 1 U 0.185E+08 0.000E+00 e 0 0 0 0 651 55.539 9.054 3.713 1 U 0.123E+08 0.000E+00 e 0 0 0 0 652 55.557 1.817 3.718 1 U 0.954E+07 0.000E+00 e 0 0 0 0 653 55.557 1.584 3.716 1 U 0.106E+08 0.000E+00 e 0 0 0 0 654 55.557 0.790 3.718 1 U 0.357E+08 0.000E+00 e 0 0 0 0 655 39.359 0.784 1.811 1 U 0.285E+08 0.000E+00 e 0 0 0 0 656 39.359 1.600 1.807 1 U 0.930E+07 0.000E+00 e 0 0 0 0 657 39.359 1.691 1.809 1 U 0.169E+08 0.000E+00 e 0 0 0 0 658 39.359 1.792 1.805 1 U 0.198E+08 0.000E+00 e 0 0 0 0 659 39.359 3.696 1.810 1 U 0.267E+07 0.000E+00 e 0 0 0 0 660 39.359 3.716 1.708 1 U 0.399E+07 0.000E+00 e 0 0 0 0 661 39.359 4.364 1.809 1 U 0.218E+07 0.000E+00 e 0 0 0 0 662 39.359 4.374 1.711 1 U 0.353E+07 0.000E+00 e 0 0 0 0 663 26.324 9.037 0.781 1 U 0.530E+07 0.000E+00 e 0 0 0 0 664 23.238 9.047 0.803 1 U 0.239E+08 0.000E+00 e 0 0 0 0 665 57.842 8.091 3.964 1 U 0.171E+08 0.000E+00 e 0 0 0 0 666 57.842 8.668 3.965 1 U 0.800E+07 0.000E+00 e 0 0 0 0 667 57.842 0.774 3.973 1 U 0.555E+08 0.000E+00 e 0 0 0 0 668 57.842 1.341 3.962 1 U 0.240E+08 0.000E+00 e 0 0 0 0 669 57.842 1.964 3.969 1 U 0.114E+08 0.000E+00 e 0 0 0 0 670 57.842 1.989 3.967 1 U 0.157E+08 0.000E+00 e 0 0 0 0 671 41.650 8.658 1.295 1 U 0.510E+07 0.000E+00 e 0 0 0 0 672 41.650 8.673 2.017 1 U 0.726E+07 0.000E+00 e 0 0 0 0 673 41.650 8.084 2.020 1 U 0.890E+07 0.000E+00 e 0 0 0 0 674 41.650 8.097 1.295 1 U 0.656E+07 0.000E+00 e 0 0 0 0 675 41.650 3.667 2.010 1 U 0.681E+07 0.000E+00 e 0 0 0 0 676 41.650 3.968 2.012 1 U 0.819E+07 0.000E+00 e 0 0 0 0 677 41.650 3.961 1.302 1 U 0.939E+07 0.000E+00 e 0 0 0 0 678 41.650 3.673 1.299 1 U 0.524E+07 0.000E+00 e 0 0 0 0 679 41.650 1.983 1.298 1 U 0.192E+08 0.000E+00 e 0 0 0 0 680 41.650 1.456 1.299 1 U 0.779E+07 0.000E+00 e 0 0 0 0 681 41.650 1.296 1.299 1 U 0.259E+08 0.000E+00 e 0 0 0 0 682 41.650 0.776 1.302 1 U 0.274E+08 0.000E+00 e 0 0 0 0 683 41.650 2.007 2.010 1 U 0.369E+08 0.000E+00 e 0 0 0 0 684 41.650 1.450 2.013 1 U 0.136E+08 0.000E+00 e 0 0 0 0 685 41.650 1.296 2.012 1 U 0.177E+08 0.000E+00 e 0 0 0 0 686 41.650 0.800 2.007 1 U 0.305E+08 0.000E+00 e 0 0 0 0 687 23.449 8.697 0.778 1 U 0.154E+08 0.000E+00 e 0 0 0 0 688 23.449 8.078 0.775 1 U 0.175E+08 0.000E+00 e 0 0 0 0 689 23.449 3.955 0.776 1 U 0.564E+08 0.000E+00 e 0 0 0 0 690 23.449 1.878 0.776 1 U 0.500E+08 0.000E+00 e 0 0 0 0 691 23.449 1.989 0.775 1 U 0.535E+08 0.000E+00 e 0 0 0 0 692 25.676 8.682 0.822 1 U 0.157E+08 0.000E+00 e 0 0 0 0 693 25.776 8.467 0.819 1 U 0.772E+07 0.000E+00 e 0 0 0 0 694 25.764 8.075 0.820 1 U 0.133E+08 0.000E+00 e 0 0 0 0 695 25.706 7.951 0.819 1 U 0.802E+07 0.000E+00 e 0 0 0 0 696 25.719 4.079 0.818 1 U 0.569E+07 0.000E+00 e 0 0 0 0 697 25.728 3.973 0.819 1 U 0.147E+08 0.000E+00 e 0 0 0 0 698 25.709 3.878 0.821 1 U 0.186E+08 0.000E+00 e 0 0 0 0 699 25.728 3.678 0.819 1 U 0.205E+08 0.000E+00 e 0 0 0 0 700 25.773 2.013 0.821 1 U 0.437E+08 0.000E+00 e 0 0 0 0 701 25.773 1.897 0.822 1 U 0.419E+08 0.000E+00 e 0 0 0 0 702 25.773 1.450 0.825 1 U 0.632E+08 0.000E+00 e 0 0 0 0 703 25.773 1.345 0.826 1 U 0.254E+08 0.000E+00 e 0 0 0 0 704 26.477 8.679 1.917 1 U 0.703E+07 0.000E+00 e 0 0 0 0 705 26.477 8.078 1.923 1 U 0.386E+07 0.000E+00 e 0 0 0 0 706 26.477 3.980 1.928 1 U 0.472E+07 0.000E+00 e 0 0 0 0 707 26.477 1.309 1.934 1 U 0.443E+07 0.000E+00 e 0 0 0 0 708 26.477 1.443 1.929 1 U 0.705E+07 0.000E+00 e 0 0 0 0 709 26.477 1.903 1.923 1 U 0.286E+08 0.000E+00 e 0 0 0 0 710 26.477 0.782 1.931 1 U 0.300E+08 0.000E+00 e 0 0 0 0 711 45.203 3.563 4.128 1 U 0.148E+08 0.000E+00 e 0 0 0 0 712 45.203 7.858 4.132 1 U 0.852E+07 0.000E+00 e 0 0 0 0 713 45.186 4.157 3.569 1 U 0.310E+08 0.000E+00 e 0 0 0 0 714 45.186 3.570 3.578 1 U 0.387E+08 0.000E+00 e 0 0 0 0 715 45.128 8.905 3.564 1 U 0.459E+07 0.000E+00 e 0 0 0 0 716 45.151 8.219 3.571 1 U 0.757E+07 0.000E+00 e 0 0 0 0 717 45.176 7.872 3.571 1 U 0.183E+08 0.000E+00 e 0 0 0 0 718 59.762 8.092 4.169 1 U 0.633E+07 0.000E+00 e 0 0 0 0 719 30.997 8.101 2.221 1 U 0.755E+07 0.000E+00 e 0 0 0 0 720 30.942 8.108 2.098 1 U 0.569E+07 0.000E+00 e 0 0 0 0 722 31.024 8.441 2.223 1 U 0.415E+07 0.000E+00 e 0 0 0 0 723 31.024 8.507 2.219 1 U 0.302E+07 0.000E+00 e 0 0 0 0 724 31.033 4.171 2.218 1 U 0.479E+07 0.000E+00 e 0 0 0 0 725 30.932 4.152 2.099 1 U 0.418E+07 0.000E+00 e 0 0 0 0 726 30.951 3.246 2.218 1 U 0.627E+07 0.000E+00 e 0 0 0 0 727 30.966 3.242 2.095 1 U 0.421E+07 0.000E+00 e 0 0 0 0 728 30.877 1.811 2.101 1 U 0.458E+07 0.000E+00 e 0 0 0 0 729 30.896 1.800 2.220 1 U 0.409E+07 0.000E+00 e 0 0 0 0 730 31.024 2.014 2.222 1 U 0.155E+08 0.000E+00 e 0 0 0 0 731 31.024 2.021 2.097 1 U 0.126E+08 0.000E+00 e 0 0 0 0 732 31.024 2.214 2.225 1 U 0.193E+08 0.000E+00 e 0 0 0 0 733 31.024 2.236 2.099 1 U 0.161E+08 0.000E+00 e 0 0 0 0 734 28.458 8.107 1.790 1 U 0.787E+07 0.000E+00 e 0 0 0 0 735 28.458 8.107 2.013 1 U 0.918E+07 0.000E+00 e 0 0 0 0 736 28.458 3.244 2.008 1 U 0.154E+08 0.000E+00 e 0 0 0 0 737 28.458 3.252 1.785 1 U 0.193E+08 0.000E+00 e 0 0 0 0 738 59.432 8.463 3.974 1 U 0.153E+08 0.000E+00 e 0 0 0 0 739 59.432 1.992 3.974 1 U 0.400E+08 0.000E+00 e 0 0 0 0 740 59.432 1.784 3.970 1 U 0.294E+08 0.000E+00 e 0 0 0 0 741 59.432 1.613 3.971 1 U 0.156E+08 0.000E+00 e 0 0 0 0 742 29.900 8.456 1.980 1 U 0.329E+08 0.000E+00 e 0 0 0 0 743 29.900 8.441 1.965 1 U 0.272E+08 0.000E+00 e 0 0 0 0 744 29.900 4.104 1.982 1 U 0.240E+08 0.000E+00 e 0 0 0 0 745 29.900 4.119 1.965 1 U 0.392E+08 0.000E+00 e 0 0 0 0 746 29.900 3.971 1.985 1 U 0.319E+08 0.000E+00 e 0 0 0 0 747 29.900 3.971 1.964 1 U 0.309E+08 0.000E+00 e 0 0 0 0 748 27.200 8.463 1.798 1 U 0.113E+08 0.000E+00 e 0 0 0 0 749 27.200 8.448 1.614 1 U 0.692E+07 0.000E+00 e 0 0 0 0 750 29.728 7.982 2.691 1 U 0.329E+07 0.000E+00 e 0 0 0 0 751 29.706 7.862 2.690 1 U 0.349E+07 0.000E+00 e 0 0 0 0 752 29.773 2.673 2.682 1 U 0.769E+07 0.000E+00 e 0 0 0 0 753 29.758 2.332 2.678 1 U 0.375E+07 0.000E+00 e 0 0 0 0 754 29.590 2.093 2.671 1 U 0.343E+07 0.000E+00 e 0 0 0 0 755 33.867 3.993 2.538 1 U 0.665E+07 0.000E+00 e 0 0 0 0 756 33.891 3.995 2.324 1 U 0.668E+07 0.000E+00 e 0 0 0 0 757 33.936 2.666 2.323 1 U 0.629E+07 0.000E+00 e 0 0 0 0 758 33.958 2.547 2.328 1 U 0.198E+08 0.000E+00 e 0 0 0 0 759 33.919 2.542 2.541 1 U 0.222E+08 0.000E+00 e 0 0 0 0 760 33.953 2.330 2.542 1 U 0.197E+08 0.000E+00 e 0 0 0 0 761 34.094 2.321 2.323 1 U 0.426E+08 0.000E+00 e 0 0 0 0 762 34.118 2.087 2.316 1 U 0.932E+07 0.000E+00 e 0 0 0 0 763 33.978 2.056 2.539 1 U 0.811E+07 0.000E+00 e 0 0 0 0 764 33.860 1.228 2.547 1 U 0.488E+07 0.000E+00 e 0 0 0 0 765 33.962 7.883 2.327 1 U 0.591E+07 0.000E+00 e 0 0 0 0 766 33.980 7.871 2.541 1 U 0.728E+07 0.000E+00 e 0 0 0 0 770 33.956 7.021 2.540 1 U 0.842E+07 0.000E+00 e 0 0 0 0 771 33.973 7.026 2.323 1 U 0.992E+07 0.000E+00 e 0 0 0 0 773 59.732 8.559 4.099 1 U 0.184E+08 0.000E+00 e 0 0 0 0 774 62.128 9.442 4.213 1 U 0.116E+08 0.000E+00 e 0 0 0 0 775 62.130 0.966 4.216 1 U 0.132E+08 0.000E+00 e 0 0 0 0 776 62.068 0.772 4.216 1 U 0.183E+08 0.000E+00 e 0 0 0 0 777 62.128 4.356 4.217 1 U 0.905E+07 0.000E+00 e 0 0 0 0 778 62.128 8.433 4.225 1 U 0.908E+07 0.000E+00 e 0 0 0 0 779 32.229 8.893 2.008 1 U 0.708E+07 0.000E+00 e 0 0 0 0 780 52.355 0.739 5.368 1 U 0.106E+08 0.000E+00 e 0 0 0 0 781 52.355 1.962 5.365 1 U 0.827E+07 0.000E+00 e 0 0 0 0 782 56.037 7.677 4.321 1 U 0.168E+08 0.000E+00 e 0 0 0 0 783 56.037 7.966 4.323 1 U 0.145E+08 0.000E+00 e 0 0 0 0 784 56.037 2.095 4.323 1 U 0.145E+08 0.000E+00 e 0 0 0 0 785 56.037 2.229 4.321 1 U 0.269E+08 0.000E+00 e 0 0 0 0 786 56.037 2.325 4.318 1 U 0.139E+08 0.000E+00 e 0 0 0 0 787 56.037 2.585 4.320 1 U 0.213E+08 0.000E+00 e 0 0 0 0 788 57.519 2.103 4.428 1 U 0.146E+08 0.000E+00 e 0 0 0 0 789 59.117 8.189 4.029 1 U 0.124E+08 0.000E+00 e 0 0 0 0 790 59.117 7.974 4.023 1 U 0.694E+07 0.000E+00 e 0 0 0 0 791 36.570 8.174 2.464 1 U 0.116E+08 0.000E+00 e 0 0 0 0 792 36.570 8.248 2.219 1 U 0.822E+07 0.000E+00 e 0 0 0 0 793 36.570 4.023 2.471 1 U 0.161E+08 0.000E+00 e 0 0 0 0 794 36.570 4.030 2.223 1 U 0.221E+08 0.000E+00 e 0 0 0 0 795 36.570 2.473 2.481 1 U 0.690E+08 0.000E+00 e 0 0 0 0 796 36.570 2.207 2.481 1 U 0.448E+08 0.000E+00 e 0 0 0 0 797 36.570 2.036 2.483 1 U 0.117E+08 0.000E+00 e 0 0 0 0 798 24.766 8.196 0.885 1 U 0.683E+07 0.000E+00 e 0 0 0 0 799 57.458 8.063 3.777 1 U 0.563E+07 0.000E+00 e 0 0 0 0 800 21.274 8.070 0.667 1 U 0.105E+08 0.000E+00 e 0 0 0 0 803 21.322 3.891 0.664 1 U 0.583E+07 0.000E+00 e 0 0 0 0 804 21.290 3.777 0.667 1 U 0.262E+08 0.000E+00 e 0 0 0 0 805 21.295 7.010 0.667 1 U 0.742E+07 0.000E+00 e 0 0 0 0 806 21.278 2.021 0.668 1 U 0.329E+08 0.000E+00 e 0 0 0 0 807 21.276 1.809 0.666 1 U 0.753E+07 0.000E+00 e 0 0 0 0 808 21.280 1.396 0.667 1 U 0.221E+08 0.000E+00 e 0 0 0 0 809 21.295 0.464 0.664 1 U 0.188E+08 0.000E+00 e 0 0 0 0 810 21.295 0.880 0.674 1 U 0.241E+08 0.000E+00 e 0 0 0 0 811 59.732 8.204 4.099 1 U 0.195E+08 0.000E+00 e 0 0 0 0 812 59.732 8.456 4.105 1 U 0.103E+08 0.000E+00 e 0 0 0 0 813 59.732 2.325 4.100 1 U 0.447E+08 0.000E+00 e 0 0 0 0 814 59.732 2.162 4.100 1 U 0.497E+08 0.000E+00 e 0 0 0 0 815 59.732 1.999 4.102 1 U 0.302E+08 0.000E+00 e 0 0 0 0 816 32.207 4.245 2.017 1 U 0.383E+07 0.000E+00 e 0 0 0 0 817 29.000 8.211 2.065 1 U 0.188E+08 0.000E+00 e 0 0 0 0 818 29.000 8.233 2.161 1 U 0.166E+08 0.000E+00 e 0 0 0 0 819 58.439 2.006 4.246 1 U 0.132E+08 0.000E+00 e 0 0 0 0 820 58.439 0.642 4.246 1 U 0.234E+08 0.000E+00 e 0 0 0 0 821 41.632 4.252 1.527 1 U 0.276E+07 0.000E+00 e 0 0 0 0 822 41.632 4.252 2.022 1 U 0.248E+07 0.000E+00 e 0 0 0 0 823 41.632 8.456 1.527 1 U 0.169E+07 0.000E+00 e 0 0 0 0 824 41.632 8.463 2.020 1 U 0.284E+07 0.000E+00 e 0 0 0 0 825 22.564 2.029 0.641 1 U 0.216E+08 0.000E+00 e 0 0 0 0 826 22.572 1.541 0.640 1 U 0.195E+08 0.000E+00 e 0 0 0 0 827 22.567 1.419 0.640 1 U 0.293E+08 0.000E+00 e 0 0 0 0 828 22.590 0.774 0.641 1 U 0.932E+08 0.000E+00 e 0 0 0 0 829 22.583 0.645 0.641 1 U 0.505E+09 0.000E+00 e 0 0 0 0 830 22.620 0.449 0.642 1 U 0.121E+08 0.000E+00 e 0 0 0 0 831 22.597 4.246 0.640 1 U 0.255E+08 0.000E+00 e 0 0 0 0 834 22.624 7.010 0.641 1 U 0.130E+08 0.000E+00 e 0 0 0 0 835 22.514 8.418 0.641 1 U 0.761E+07 0.000E+00 e 0 0 0 0 836 22.586 8.237 0.635 1 U 0.571E+07 0.000E+00 e 0 0 0 0 837 22.569 8.058 0.642 1 U 0.509E+07 0.000E+00 e 0 0 0 0 838 25.778 8.441 0.668 1 U 0.787E+07 0.000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . 'not observed' 11203.133 Hz . . . 4.7 . . 30974 2 2 . . C 13 C . 'not observed' 14085.647 Hz . . . 42.661 . . 30974 2 3 . . H 1 H . 'not observed' 6016.322 Hz . . . 4.7 . . 30974 2 stop_ save_