data_30249 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30249 _Entry.Title ; Solution NMR structure of the de novo mini protein HEEH_rd4_0097 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-24 _Entry.Accession_date 2017-02-24 _Entry.Last_release_date 2017-06-19 _Entry.Original_release_date 2017-06-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 A. Lemak A. . . . 30249 2 G. Rocklin G. J. . . 30249 3 S. Houliston S. . . . 30249 4 L. Carter L. . . . 30249 5 T. Chidyausiku T. M. . . 30249 6 D. Baker D. . . . 30249 7 C. Arrowsmith C. H. . . 30249 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 30249 'de novo design' . 30249 helix-strand-strand-helix . 30249 'mini protein' . 30249 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30249 spectral_peak_list 2 30249 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 173 30249 '15N chemical shifts' 46 30249 '1H chemical shifts' 287 30249 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-07-20 . original BMRB . 30249 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5UYO 'BMRB Entry Tracking System' 30249 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30249 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1126/science.aan0693 _Citation.PubMed_ID 28706065 _Citation.Full_citation . _Citation.Title ; Global analysis of protein folding using massively parallel design, synthesis, and testing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 357 _Citation.Journal_issue 6347 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _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 168 _Citation.Page_last 175 _Citation.Year 2017 _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 Gabriel Rocklin G. J. . . 30249 1 2 Tamuka Chidyausiku T. M. . . 30249 1 3 Inna Goreshnik I. . . . 30249 1 4 Alex Ford A. . . . 30249 1 5 Scott Houliston S. . . . 30249 1 6 Alexander Lemak A. . . . 30249 1 7 Lauren Carter L. . . . 30249 1 8 Rashmi Ravichandran R. . . . 30249 1 9 Vikram Mulligan V. K. . . 30249 1 10 Aaron Chevalier A. . . . 30249 1 11 Cheryl Arrowsmith C. H. . . 30249 1 12 David Baker D. . . . 30249 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30249 _Assembly.ID 1 _Assembly.Name HEEH_rd4_0097 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30249 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30249 _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 MDVEEQIRRLEEVLKKNQPV TWNGTTYTDPNEIKKVIEEL RKSM ; _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 7469.417 _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 . 30249 1 2 . GLY . 30249 1 3 . SER . 30249 1 4 . SER . 30249 1 5 . HIS . 30249 1 6 . HIS . 30249 1 7 . HIS . 30249 1 8 . HIS . 30249 1 9 . HIS . 30249 1 10 . HIS . 30249 1 11 . SER . 30249 1 12 . SER . 30249 1 13 . GLY . 30249 1 14 . LEU . 30249 1 15 . VAL . 30249 1 16 . PRO . 30249 1 17 . ARG . 30249 1 18 . GLY . 30249 1 19 . SER . 30249 1 20 . HIS . 30249 1 21 . MET . 30249 1 22 . ASP . 30249 1 23 . VAL . 30249 1 24 . GLU . 30249 1 25 . GLU . 30249 1 26 . GLN . 30249 1 27 . ILE . 30249 1 28 . ARG . 30249 1 29 . ARG . 30249 1 30 . LEU . 30249 1 31 . GLU . 30249 1 32 . GLU . 30249 1 33 . VAL . 30249 1 34 . LEU . 30249 1 35 . LYS . 30249 1 36 . LYS . 30249 1 37 . ASN . 30249 1 38 . GLN . 30249 1 39 . PRO . 30249 1 40 . VAL . 30249 1 41 . THR . 30249 1 42 . TRP . 30249 1 43 . ASN . 30249 1 44 . GLY . 30249 1 45 . THR . 30249 1 46 . THR . 30249 1 47 . TYR . 30249 1 48 . THR . 30249 1 49 . ASP . 30249 1 50 . PRO . 30249 1 51 . ASN . 30249 1 52 . GLU . 30249 1 53 . ILE . 30249 1 54 . LYS . 30249 1 55 . LYS . 30249 1 56 . VAL . 30249 1 57 . ILE . 30249 1 58 . GLU . 30249 1 59 . GLU . 30249 1 60 . LEU . 30249 1 61 . ARG . 30249 1 62 . LYS . 30249 1 63 . SER . 30249 1 64 . MET . 30249 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 30249 1 . GLY 2 2 30249 1 . SER 3 3 30249 1 . SER 4 4 30249 1 . HIS 5 5 30249 1 . HIS 6 6 30249 1 . HIS 7 7 30249 1 . HIS 8 8 30249 1 . HIS 9 9 30249 1 . HIS 10 10 30249 1 . SER 11 11 30249 1 . SER 12 12 30249 1 . GLY 13 13 30249 1 . LEU 14 14 30249 1 . VAL 15 15 30249 1 . PRO 16 16 30249 1 . ARG 17 17 30249 1 . GLY 18 18 30249 1 . SER 19 19 30249 1 . HIS 20 20 30249 1 . MET 21 21 30249 1 . ASP 22 22 30249 1 . VAL 23 23 30249 1 . GLU 24 24 30249 1 . GLU 25 25 30249 1 . GLN 26 26 30249 1 . ILE 27 27 30249 1 . ARG 28 28 30249 1 . ARG 29 29 30249 1 . LEU 30 30 30249 1 . GLU 31 31 30249 1 . GLU 32 32 30249 1 . VAL 33 33 30249 1 . LEU 34 34 30249 1 . LYS 35 35 30249 1 . LYS 36 36 30249 1 . ASN 37 37 30249 1 . GLN 38 38 30249 1 . PRO 39 39 30249 1 . VAL 40 40 30249 1 . THR 41 41 30249 1 . TRP 42 42 30249 1 . ASN 43 43 30249 1 . GLY 44 44 30249 1 . THR 45 45 30249 1 . THR 46 46 30249 1 . TYR 47 47 30249 1 . THR 48 48 30249 1 . ASP 49 49 30249 1 . PRO 50 50 30249 1 . ASN 51 51 30249 1 . GLU 52 52 30249 1 . ILE 53 53 30249 1 . LYS 54 54 30249 1 . LYS 55 55 30249 1 . VAL 56 56 30249 1 . ILE 57 57 30249 1 . GLU 58 58 30249 1 . GLU 59 59 30249 1 . LEU 60 60 30249 1 . ARG 61 61 30249 1 . LYS 62 62 30249 1 . SER 63 63 30249 1 . MET 64 64 30249 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 30249 _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 . 561 organism . Escherichia Escherichia . . Bacteria . Escherichia . . . . . . . . . . . . . . 30249 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 30249 _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 . . 561 . . . . . . . . . . . . 30249 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30249 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 mM sodium chloride, 400 uM [U-13C; U-15N] protein, 50 mM sodium phosphate, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 30249 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30249 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30249 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 30249 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 30249 1 pH 7.4 . pH 30249 1 pressure 1 . atm 30249 1 temperature 298 . K 30249 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30249 _Software.ID 1 _Software.Name ABACUS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak and Arrowsmith' . . 30249 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30249 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30249 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30249 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30249 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30249 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30249 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30249 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30249 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30249 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30249 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 30249 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30249 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _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 30249 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 30249 1 2 NMR_spectrometer_2 Bruker AvanceII . 800 . . . 30249 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 30249 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30249 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30249 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30249 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30249 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30249 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30249 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 30249 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30249 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30249 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30249 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 30249 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 30249 1 2 '3D 1H-13C NOESY aliphatic' . . . 30249 1 3 '3D CBCA(CO)NH' . . . 30249 1 4 '3D HBHA(CO)NH' . . . 30249 1 5 '3D HNCO' . . . 30249 1 6 '3D HNCA' . . . 30249 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 22 22 ASP H H 1 8.344 0.04 . 1 . . . A 22 ASP H . 30249 1 2 . 1 1 22 22 ASP HA H 1 4.441 0.04 . 1 . . . A 22 ASP HA . 30249 1 3 . 1 1 22 22 ASP HB2 H 1 2.697 0.04 . 2 . . . A 22 ASP HB2 . 30249 1 4 . 1 1 22 22 ASP HB3 H 1 2.613 0.04 . 2 . . . A 22 ASP HB3 . 30249 1 5 . 1 1 22 22 ASP C C 13 177.241 0.40 . 1 . . . A 22 ASP C . 30249 1 6 . 1 1 22 22 ASP CA C 13 54.457 0.40 . 1 . . . A 22 ASP CA . 30249 1 7 . 1 1 22 22 ASP CB C 13 40.709 0.40 . 1 . . . A 22 ASP CB . 30249 1 8 . 1 1 22 22 ASP N N 15 122.931 0.40 . 1 . . . A 22 ASP N . 30249 1 9 . 1 1 23 23 VAL H H 1 8.194 0.04 . 1 . . . A 23 VAL H . 30249 1 10 . 1 1 23 23 VAL HA H 1 3.500 0.04 . 1 . . . A 23 VAL HA . 30249 1 11 . 1 1 23 23 VAL HB H 1 1.930 0.04 . 1 . . . A 23 VAL HB . 30249 1 12 . 1 1 23 23 VAL HG11 H 1 0.877 0.04 . 2 . . . A 23 VAL HG11 . 30249 1 13 . 1 1 23 23 VAL HG12 H 1 0.877 0.04 . 2 . . . A 23 VAL HG12 . 30249 1 14 . 1 1 23 23 VAL HG13 H 1 0.877 0.04 . 2 . . . A 23 VAL HG13 . 30249 1 15 . 1 1 23 23 VAL HG21 H 1 0.768 0.04 . 2 . . . A 23 VAL HG21 . 30249 1 16 . 1 1 23 23 VAL HG22 H 1 0.768 0.04 . 2 . . . A 23 VAL HG22 . 30249 1 17 . 1 1 23 23 VAL HG23 H 1 0.768 0.04 . 2 . . . A 23 VAL HG23 . 30249 1 18 . 1 1 23 23 VAL C C 13 177.255 0.40 . 1 . . . A 23 VAL C . 30249 1 19 . 1 1 23 23 VAL CA C 13 66.562 0.40 . 1 . . . A 23 VAL CA . 30249 1 20 . 1 1 23 23 VAL CB C 13 31.561 0.40 . 1 . . . A 23 VAL CB . 30249 1 21 . 1 1 23 23 VAL CG1 C 13 22.608 0.40 . 2 . . . A 23 VAL CG1 . 30249 1 22 . 1 1 23 23 VAL CG2 C 13 21.845 0.40 . 2 . . . A 23 VAL CG2 . 30249 1 23 . 1 1 23 23 VAL N N 15 123.286 0.40 . 1 . . . A 23 VAL N . 30249 1 24 . 1 1 24 24 GLU H H 1 8.305 0.04 . 1 . . . A 24 GLU H . 30249 1 25 . 1 1 24 24 GLU HA H 1 3.717 0.04 . 1 . . . A 24 GLU HA . 30249 1 26 . 1 1 24 24 GLU HB2 H 1 1.928 0.04 . 2 . . . A 24 GLU HB2 . 30249 1 27 . 1 1 24 24 GLU HB3 H 1 1.884 0.04 . 2 . . . A 24 GLU HB3 . 30249 1 28 . 1 1 24 24 GLU HG2 H 1 2.191 0.04 . 2 . . . A 24 GLU HG2 . 30249 1 29 . 1 1 24 24 GLU HG3 H 1 2.073 0.04 . 2 . . . A 24 GLU HG3 . 30249 1 30 . 1 1 24 24 GLU C C 13 179.186 0.40 . 1 . . . A 24 GLU C . 30249 1 31 . 1 1 24 24 GLU CA C 13 60.207 0.40 . 1 . . . A 24 GLU CA . 30249 1 32 . 1 1 24 24 GLU CB C 13 29.045 0.40 . 1 . . . A 24 GLU CB . 30249 1 33 . 1 1 24 24 GLU CG C 13 36.786 0.40 . 1 . . . A 24 GLU CG . 30249 1 34 . 1 1 24 24 GLU N N 15 119.254 0.40 . 1 . . . A 24 GLU N . 30249 1 35 . 1 1 25 25 GLU H H 1 7.654 0.04 . 1 . . . A 25 GLU H . 30249 1 36 . 1 1 25 25 GLU HA H 1 3.997 0.04 . 1 . . . A 25 GLU HA . 30249 1 37 . 1 1 25 25 GLU HB2 H 1 1.970 0.04 . 2 . . . A 25 GLU HB2 . 30249 1 38 . 1 1 25 25 GLU HB3 H 1 1.897 0.04 . 2 . . . A 25 GLU HB3 . 30249 1 39 . 1 1 25 25 GLU HG2 H 1 2.217 0.04 . 2 . . . A 25 GLU HG2 . 30249 1 40 . 1 1 25 25 GLU HG3 H 1 2.139 0.04 . 2 . . . A 25 GLU HG3 . 30249 1 41 . 1 1 25 25 GLU C C 13 178.296 0.40 . 1 . . . A 25 GLU C . 30249 1 42 . 1 1 25 25 GLU CA C 13 58.455 0.40 . 1 . . . A 25 GLU CA . 30249 1 43 . 1 1 25 25 GLU CB C 13 29.020 0.40 . 1 . . . A 25 GLU CB . 30249 1 44 . 1 1 25 25 GLU CG C 13 35.424 0.40 . 1 . . . A 25 GLU CG . 30249 1 45 . 1 1 25 25 GLU N N 15 120.039 0.40 . 1 . . . A 25 GLU N . 30249 1 46 . 1 1 26 26 GLN H H 1 7.864 0.04 . 1 . . . A 26 GLN H . 30249 1 47 . 1 1 26 26 GLN HA H 1 3.877 0.04 . 1 . . . A 26 GLN HA . 30249 1 48 . 1 1 26 26 GLN HB2 H 1 2.016 0.04 . 2 . . . A 26 GLN HB2 . 30249 1 49 . 1 1 26 26 GLN HB3 H 1 2.159 0.04 . 2 . . . A 26 GLN HB3 . 30249 1 50 . 1 1 26 26 GLN HG2 H 1 2.343 0.04 . 2 . . . A 26 GLN HG2 . 30249 1 51 . 1 1 26 26 GLN HG3 H 1 2.343 0.04 . 2 . . . A 26 GLN HG3 . 30249 1 52 . 1 1 26 26 GLN HE21 H 1 6.752 0.04 . 2 . . . A 26 GLN HE21 . 30249 1 53 . 1 1 26 26 GLN HE22 H 1 7.028 0.04 . 2 . . . A 26 GLN HE22 . 30249 1 54 . 1 1 26 26 GLN C C 13 178.487 0.40 . 1 . . . A 26 GLN C . 30249 1 55 . 1 1 26 26 GLN CA C 13 58.950 0.40 . 1 . . . A 26 GLN CA . 30249 1 56 . 1 1 26 26 GLN CB C 13 28.494 0.40 . 1 . . . A 26 GLN CB . 30249 1 57 . 1 1 26 26 GLN CG C 13 34.062 0.40 . 1 . . . A 26 GLN CG . 30249 1 58 . 1 1 26 26 GLN N N 15 119.380 0.40 . 1 . . . A 26 GLN N . 30249 1 59 . 1 1 26 26 GLN NE2 N 15 111.276 0.40 . 1 . . . A 26 GLN NE2 . 30249 1 60 . 1 1 27 27 ILE H H 1 8.229 0.04 . 1 . . . A 27 ILE H . 30249 1 61 . 1 1 27 27 ILE HA H 1 3.127 0.04 . 1 . . . A 27 ILE HA . 30249 1 62 . 1 1 27 27 ILE HB H 1 1.643 0.04 . 1 . . . A 27 ILE HB . 30249 1 63 . 1 1 27 27 ILE HG21 H 1 0.605 0.04 . 1 . . . A 27 ILE HG21 . 30249 1 64 . 1 1 27 27 ILE HG22 H 1 0.605 0.04 . 1 . . . A 27 ILE HG22 . 30249 1 65 . 1 1 27 27 ILE HG23 H 1 0.605 0.04 . 1 . . . A 27 ILE HG23 . 30249 1 66 . 1 1 27 27 ILE HD11 H 1 0.531 0.04 . 1 . . . A 27 ILE HD11 . 30249 1 67 . 1 1 27 27 ILE HD12 H 1 0.531 0.04 . 1 . . . A 27 ILE HD12 . 30249 1 68 . 1 1 27 27 ILE HD13 H 1 0.531 0.04 . 1 . . . A 27 ILE HD13 . 30249 1 69 . 1 1 27 27 ILE C C 13 176.995 0.40 . 1 . . . A 27 ILE C . 30249 1 70 . 1 1 27 27 ILE CA C 13 66.397 0.40 . 1 . . . A 27 ILE CA . 30249 1 71 . 1 1 27 27 ILE CB C 13 38.053 0.40 . 1 . . . A 27 ILE CB . 30249 1 72 . 1 1 27 27 ILE CG2 C 13 17.023 0.40 . 1 . . . A 27 ILE CG2 . 30249 1 73 . 1 1 27 27 ILE CD1 C 13 14.436 0.40 . 1 . . . A 27 ILE CD1 . 30249 1 74 . 1 1 27 27 ILE N N 15 118.745 0.40 . 1 . . . A 27 ILE N . 30249 1 75 . 1 1 28 28 ARG H H 1 7.701 0.04 . 1 . . . A 28 ARG H . 30249 1 76 . 1 1 28 28 ARG HA H 1 3.887 0.04 . 1 . . . A 28 ARG HA . 30249 1 77 . 1 1 28 28 ARG HB2 H 1 1.773 0.04 . 2 . . . A 28 ARG HB2 . 30249 1 78 . 1 1 28 28 ARG HB3 H 1 1.773 0.04 . 2 . . . A 28 ARG HB3 . 30249 1 79 . 1 1 28 28 ARG C C 13 179.610 0.40 . 1 . . . A 28 ARG C . 30249 1 80 . 1 1 28 28 ARG CA C 13 59.545 0.40 . 1 . . . A 28 ARG CA . 30249 1 81 . 1 1 28 28 ARG CB C 13 29.889 0.40 . 1 . . . A 28 ARG CB . 30249 1 82 . 1 1 28 28 ARG N N 15 118.791 0.40 . 1 . . . A 28 ARG N . 30249 1 83 . 1 1 29 29 ARG H H 1 7.958 0.04 . 1 . . . A 29 ARG H . 30249 1 84 . 1 1 29 29 ARG HA H 1 3.874 0.04 . 1 . . . A 29 ARG HA . 30249 1 85 . 1 1 29 29 ARG HB2 H 1 1.776 0.04 . 2 . . . A 29 ARG HB2 . 30249 1 86 . 1 1 29 29 ARG HB3 H 1 1.776 0.04 . 2 . . . A 29 ARG HB3 . 30249 1 87 . 1 1 29 29 ARG C C 13 179.432 0.40 . 1 . . . A 29 ARG C . 30249 1 88 . 1 1 29 29 ARG CA C 13 59.140 0.40 . 1 . . . A 29 ARG CA . 30249 1 89 . 1 1 29 29 ARG CB C 13 30.081 0.40 . 1 . . . A 29 ARG CB . 30249 1 90 . 1 1 29 29 ARG N N 15 118.485 0.40 . 1 . . . A 29 ARG N . 30249 1 91 . 1 1 30 30 LEU H H 1 7.822 0.04 . 1 . . . A 30 LEU H . 30249 1 92 . 1 1 30 30 LEU HA H 1 3.796 0.04 . 1 . . . A 30 LEU HA . 30249 1 93 . 1 1 30 30 LEU HB2 H 1 1.534 0.04 . 2 . . . A 30 LEU HB2 . 30249 1 94 . 1 1 30 30 LEU HB3 H 1 0.766 0.04 . 2 . . . A 30 LEU HB3 . 30249 1 95 . 1 1 30 30 LEU HG H 1 1.298 0.04 . 1 . . . A 30 LEU HG . 30249 1 96 . 1 1 30 30 LEU HD11 H 1 -0.110 0.04 . 2 . . . A 30 LEU HD11 . 30249 1 97 . 1 1 30 30 LEU HD12 H 1 -0.110 0.04 . 2 . . . A 30 LEU HD12 . 30249 1 98 . 1 1 30 30 LEU HD13 H 1 -0.110 0.04 . 2 . . . A 30 LEU HD13 . 30249 1 99 . 1 1 30 30 LEU HD21 H 1 0.238 0.04 . 2 . . . A 30 LEU HD21 . 30249 1 100 . 1 1 30 30 LEU HD22 H 1 0.238 0.04 . 2 . . . A 30 LEU HD22 . 30249 1 101 . 1 1 30 30 LEU HD23 H 1 0.238 0.04 . 2 . . . A 30 LEU HD23 . 30249 1 102 . 1 1 30 30 LEU C C 13 178.487 0.40 . 1 . . . A 30 LEU C . 30249 1 103 . 1 1 30 30 LEU CA C 13 57.551 0.40 . 1 . . . A 30 LEU CA . 30249 1 104 . 1 1 30 30 LEU CB C 13 41.721 0.40 . 1 . . . A 30 LEU CB . 30249 1 105 . 1 1 30 30 LEU CG C 13 26.725 0.40 . 1 . . . A 30 LEU CG . 30249 1 106 . 1 1 30 30 LEU CD1 C 13 25.454 0.40 . 2 . . . A 30 LEU CD1 . 30249 1 107 . 1 1 30 30 LEU CD2 C 13 22.485 0.40 . 2 . . . A 30 LEU CD2 . 30249 1 108 . 1 1 30 30 LEU N N 15 120.562 0.40 . 1 . . . A 30 LEU N . 30249 1 109 . 1 1 31 31 GLU H H 1 8.609 0.04 . 1 . . . A 31 GLU H . 30249 1 110 . 1 1 31 31 GLU HA H 1 3.652 0.04 . 1 . . . A 31 GLU HA . 30249 1 111 . 1 1 31 31 GLU HB2 H 1 2.019 0.04 . 2 . . . A 31 GLU HB2 . 30249 1 112 . 1 1 31 31 GLU HB3 H 1 1.681 0.04 . 2 . . . A 31 GLU HB3 . 30249 1 113 . 1 1 31 31 GLU HG2 H 1 2.336 0.04 . 2 . . . A 31 GLU HG2 . 30249 1 114 . 1 1 31 31 GLU HG3 H 1 1.901 0.04 . 2 . . . A 31 GLU HG3 . 30249 1 115 . 1 1 31 31 GLU CA C 13 59.654 0.40 . 1 . . . A 31 GLU CA . 30249 1 116 . 1 1 31 31 GLU CB C 13 29.363 0.40 . 1 . . . A 31 GLU CB . 30249 1 117 . 1 1 31 31 GLU CG C 13 37.712 0.40 . 1 . . . A 31 GLU CG . 30249 1 118 . 1 1 31 31 GLU N N 15 118.519 0.40 . 1 . . . A 31 GLU N . 30249 1 119 . 1 1 32 32 GLU H H 1 7.699 0.04 . 1 . . . A 32 GLU H . 30249 1 120 . 1 1 32 32 GLU HA H 1 3.852 0.04 . 1 . . . A 32 GLU HA . 30249 1 121 . 1 1 32 32 GLU HB2 H 1 1.975 0.04 . 2 . . . A 32 GLU HB2 . 30249 1 122 . 1 1 32 32 GLU HB3 H 1 1.975 0.04 . 2 . . . A 32 GLU HB3 . 30249 1 123 . 1 1 32 32 GLU HG2 H 1 2.168 0.04 . 2 . . . A 32 GLU HG2 . 30249 1 124 . 1 1 32 32 GLU HG3 H 1 2.168 0.04 . 2 . . . A 32 GLU HG3 . 30249 1 125 . 1 1 32 32 GLU C C 13 178.734 0.40 . 1 . . . A 32 GLU C . 30249 1 126 . 1 1 32 32 GLU CA C 13 59.167 0.40 . 1 . . . A 32 GLU CA . 30249 1 127 . 1 1 32 32 GLU CB C 13 29.341 0.40 . 1 . . . A 32 GLU CB . 30249 1 128 . 1 1 32 32 GLU CG C 13 36.023 0.40 . 1 . . . A 32 GLU CG . 30249 1 129 . 1 1 32 32 GLU N N 15 119.634 0.40 . 1 . . . A 32 GLU N . 30249 1 130 . 1 1 33 33 VAL H H 1 7.427 0.04 . 1 . . . A 33 VAL H . 30249 1 131 . 1 1 33 33 VAL HA H 1 3.602 0.04 . 1 . . . A 33 VAL HA . 30249 1 132 . 1 1 33 33 VAL HB H 1 2.163 0.04 . 1 . . . A 33 VAL HB . 30249 1 133 . 1 1 33 33 VAL HG11 H 1 0.791 0.04 . 2 . . . A 33 VAL HG11 . 30249 1 134 . 1 1 33 33 VAL HG12 H 1 0.791 0.04 . 2 . . . A 33 VAL HG12 . 30249 1 135 . 1 1 33 33 VAL HG13 H 1 0.791 0.04 . 2 . . . A 33 VAL HG13 . 30249 1 136 . 1 1 33 33 VAL HG21 H 1 0.927 0.04 . 2 . . . A 33 VAL HG21 . 30249 1 137 . 1 1 33 33 VAL HG22 H 1 0.927 0.04 . 2 . . . A 33 VAL HG22 . 30249 1 138 . 1 1 33 33 VAL HG23 H 1 0.927 0.04 . 2 . . . A 33 VAL HG23 . 30249 1 139 . 1 1 33 33 VAL C C 13 178.857 0.40 . 1 . . . A 33 VAL C . 30249 1 140 . 1 1 33 33 VAL CA C 13 65.849 0.40 . 1 . . . A 33 VAL CA . 30249 1 141 . 1 1 33 33 VAL CB C 13 30.793 0.40 . 1 . . . A 33 VAL CB . 30249 1 142 . 1 1 33 33 VAL CG1 C 13 22.158 0.40 . 2 . . . A 33 VAL CG1 . 30249 1 143 . 1 1 33 33 VAL CG2 C 13 21.804 0.40 . 2 . . . A 33 VAL CG2 . 30249 1 144 . 1 1 33 33 VAL N N 15 117.942 0.40 . 1 . . . A 33 VAL N . 30249 1 145 . 1 1 34 34 LEU H H 1 7.699 0.04 . 1 . . . A 34 LEU H . 30249 1 146 . 1 1 34 34 LEU HA H 1 3.970 0.04 . 1 . . . A 34 LEU HA . 30249 1 147 . 1 1 34 34 LEU HB2 H 1 1.613 0.04 . 2 . . . A 34 LEU HB2 . 30249 1 148 . 1 1 34 34 LEU HB3 H 1 1.466 0.04 . 2 . . . A 34 LEU HB3 . 30249 1 149 . 1 1 34 34 LEU HD11 H 1 0.658 0.04 . 2 . . . A 34 LEU HD11 . 30249 1 150 . 1 1 34 34 LEU HD12 H 1 0.658 0.04 . 2 . . . A 34 LEU HD12 . 30249 1 151 . 1 1 34 34 LEU HD13 H 1 0.658 0.04 . 2 . . . A 34 LEU HD13 . 30249 1 152 . 1 1 34 34 LEU HD21 H 1 0.696 0.04 . 2 . . . A 34 LEU HD21 . 30249 1 153 . 1 1 34 34 LEU HD22 H 1 0.696 0.04 . 2 . . . A 34 LEU HD22 . 30249 1 154 . 1 1 34 34 LEU HD23 H 1 0.696 0.04 . 2 . . . A 34 LEU HD23 . 30249 1 155 . 1 1 34 34 LEU C C 13 180.131 0.40 . 1 . . . A 34 LEU C . 30249 1 156 . 1 1 34 34 LEU CA C 13 57.414 0.40 . 1 . . . A 34 LEU CA . 30249 1 157 . 1 1 34 34 LEU CB C 13 41.818 0.40 . 1 . . . A 34 LEU CB . 30249 1 158 . 1 1 34 34 LEU CD1 C 13 25.672 0.40 . 2 . . . A 34 LEU CD1 . 30249 1 159 . 1 1 34 34 LEU CD2 C 13 24.757 0.40 . 2 . . . A 34 LEU CD2 . 30249 1 160 . 1 1 34 34 LEU N N 15 120.664 0.40 . 1 . . . A 34 LEU N . 30249 1 161 . 1 1 35 35 LYS H H 1 7.524 0.04 . 1 . . . A 35 LYS H . 30249 1 162 . 1 1 35 35 LYS HA H 1 3.880 0.04 . 1 . . . A 35 LYS HA . 30249 1 163 . 1 1 35 35 LYS HB2 H 1 1.771 0.04 . 2 . . . A 35 LYS HB2 . 30249 1 164 . 1 1 35 35 LYS HB3 H 1 1.771 0.04 . 2 . . . A 35 LYS HB3 . 30249 1 165 . 1 1 35 35 LYS HE2 H 1 2.758 0.04 . 2 . . . A 35 LYS HE2 . 30249 1 166 . 1 1 35 35 LYS HE3 H 1 2.758 0.04 . 2 . . . A 35 LYS HE3 . 30249 1 167 . 1 1 35 35 LYS C C 13 177.803 0.40 . 1 . . . A 35 LYS C . 30249 1 168 . 1 1 35 35 LYS CA C 13 58.755 0.40 . 1 . . . A 35 LYS CA . 30249 1 169 . 1 1 35 35 LYS CB C 13 32.491 0.40 . 1 . . . A 35 LYS CB . 30249 1 170 . 1 1 35 35 LYS CE C 13 41.962 0.40 . 1 . . . A 35 LYS CE . 30249 1 171 . 1 1 35 35 LYS N N 15 118.723 0.40 . 1 . . . A 35 LYS N . 30249 1 172 . 1 1 36 36 LYS H H 1 7.419 0.04 . 1 . . . A 36 LYS H . 30249 1 173 . 1 1 36 36 LYS HA H 1 4.102 0.04 . 1 . . . A 36 LYS HA . 30249 1 174 . 1 1 36 36 LYS HB2 H 1 1.811 0.04 . 2 . . . A 36 LYS HB2 . 30249 1 175 . 1 1 36 36 LYS HB3 H 1 1.565 0.04 . 2 . . . A 36 LYS HB3 . 30249 1 176 . 1 1 36 36 LYS HE2 H 1 2.765 0.04 . 2 . . . A 36 LYS HE2 . 30249 1 177 . 1 1 36 36 LYS HE3 H 1 2.765 0.04 . 2 . . . A 36 LYS HE3 . 30249 1 178 . 1 1 36 36 LYS C C 13 175.831 0.40 . 1 . . . A 36 LYS C . 30249 1 179 . 1 1 36 36 LYS CA C 13 56.208 0.40 . 1 . . . A 36 LYS CA . 30249 1 180 . 1 1 36 36 LYS CB C 13 32.875 0.40 . 1 . . . A 36 LYS CB . 30249 1 181 . 1 1 36 36 LYS CE C 13 41.935 0.40 . 1 . . . A 36 LYS CE . 30249 1 182 . 1 1 36 36 LYS N N 15 116.161 0.40 . 1 . . . A 36 LYS N . 30249 1 183 . 1 1 37 37 ASN H H 1 7.908 0.04 . 1 . . . A 37 ASN H . 30249 1 184 . 1 1 37 37 ASN HA H 1 4.322 0.04 . 1 . . . A 37 ASN HA . 30249 1 185 . 1 1 37 37 ASN HB2 H 1 2.925 0.04 . 2 . . . A 37 ASN HB2 . 30249 1 186 . 1 1 37 37 ASN HB3 H 1 2.577 0.04 . 2 . . . A 37 ASN HB3 . 30249 1 187 . 1 1 37 37 ASN HD21 H 1 6.628 0.04 . 2 . . . A 37 ASN HD21 . 30249 1 188 . 1 1 37 37 ASN HD22 H 1 7.375 0.04 . 2 . . . A 37 ASN HD22 . 30249 1 189 . 1 1 37 37 ASN C C 13 174.023 0.40 . 1 . . . A 37 ASN C . 30249 1 190 . 1 1 37 37 ASN CA C 13 54.045 0.40 . 1 . . . A 37 ASN CA . 30249 1 191 . 1 1 37 37 ASN CB C 13 36.983 0.40 . 1 . . . A 37 ASN CB . 30249 1 192 . 1 1 37 37 ASN N N 15 116.646 0.40 . 1 . . . A 37 ASN N . 30249 1 193 . 1 1 37 37 ASN ND2 N 15 112.076 0.40 . 1 . . . A 37 ASN ND2 . 30249 1 194 . 1 1 38 38 GLN H H 1 7.386 0.04 . 1 . . . A 38 GLN H . 30249 1 195 . 1 1 38 38 GLN HA H 1 4.603 0.04 . 1 . . . A 38 GLN HA . 30249 1 196 . 1 1 38 38 GLN HB2 H 1 1.986 0.04 . 2 . . . A 38 GLN HB2 . 30249 1 197 . 1 1 38 38 GLN HB3 H 1 1.605 0.04 . 2 . . . A 38 GLN HB3 . 30249 1 198 . 1 1 38 38 GLN HG2 H 1 2.185 0.04 . 2 . . . A 38 GLN HG2 . 30249 1 199 . 1 1 38 38 GLN HG3 H 1 2.185 0.04 . 2 . . . A 38 GLN HG3 . 30249 1 200 . 1 1 38 38 GLN HE21 H 1 6.741 0.04 . 2 . . . A 38 GLN HE21 . 30249 1 201 . 1 1 38 38 GLN HE22 H 1 7.288 0.04 . 2 . . . A 38 GLN HE22 . 30249 1 202 . 1 1 38 38 GLN CA C 13 52.654 0.40 . 1 . . . A 38 GLN CA . 30249 1 203 . 1 1 38 38 GLN CB C 13 30.317 0.40 . 1 . . . A 38 GLN CB . 30249 1 204 . 1 1 38 38 GLN CG C 13 33.449 0.40 . 1 . . . A 38 GLN CG . 30249 1 205 . 1 1 38 38 GLN N N 15 117.147 0.40 . 1 . . . A 38 GLN N . 30249 1 206 . 1 1 38 38 GLN NE2 N 15 111.776 0.40 . 1 . . . A 38 GLN NE2 . 30249 1 207 . 1 1 39 39 PRO HA H 1 4.580 0.04 . 1 . . . A 39 PRO HA . 30249 1 208 . 1 1 39 39 PRO HB2 H 1 1.926 0.04 . 2 . . . A 39 PRO HB2 . 30249 1 209 . 1 1 39 39 PRO HB3 H 1 1.581 0.04 . 2 . . . A 39 PRO HB3 . 30249 1 210 . 1 1 39 39 PRO HG2 H 1 1.754 0.04 . 2 . . . A 39 PRO HG2 . 30249 1 211 . 1 1 39 39 PRO HG3 H 1 1.754 0.04 . 2 . . . A 39 PRO HG3 . 30249 1 212 . 1 1 39 39 PRO HD2 H 1 3.573 0.04 . 2 . . . A 39 PRO HD2 . 30249 1 213 . 1 1 39 39 PRO HD3 H 1 3.408 0.04 . 2 . . . A 39 PRO HD3 . 30249 1 214 . 1 1 39 39 PRO C C 13 175.803 0.40 . 1 . . . A 39 PRO C . 30249 1 215 . 1 1 39 39 PRO CA C 13 62.180 0.40 . 1 . . . A 39 PRO CA . 30249 1 216 . 1 1 39 39 PRO CB C 13 32.765 0.40 . 1 . . . A 39 PRO CB . 30249 1 217 . 1 1 39 39 PRO CG C 13 27.143 0.40 . 1 . . . A 39 PRO CG . 30249 1 218 . 1 1 39 39 PRO CD C 13 49.875 0.40 . 1 . . . A 39 PRO CD . 30249 1 219 . 1 1 40 40 VAL H H 1 8.269 0.04 . 1 . . . A 40 VAL H . 30249 1 220 . 1 1 40 40 VAL HA H 1 4.401 0.04 . 1 . . . A 40 VAL HA . 30249 1 221 . 1 1 40 40 VAL HB H 1 1.931 0.04 . 1 . . . A 40 VAL HB . 30249 1 222 . 1 1 40 40 VAL HG11 H 1 0.750 0.04 . 2 . . . A 40 VAL HG11 . 30249 1 223 . 1 1 40 40 VAL HG12 H 1 0.750 0.04 . 2 . . . A 40 VAL HG12 . 30249 1 224 . 1 1 40 40 VAL HG13 H 1 0.750 0.04 . 2 . . . A 40 VAL HG13 . 30249 1 225 . 1 1 40 40 VAL HG21 H 1 0.907 0.04 . 2 . . . A 40 VAL HG21 . 30249 1 226 . 1 1 40 40 VAL HG22 H 1 0.907 0.04 . 2 . . . A 40 VAL HG22 . 30249 1 227 . 1 1 40 40 VAL HG23 H 1 0.907 0.04 . 2 . . . A 40 VAL HG23 . 30249 1 228 . 1 1 40 40 VAL C C 13 173.078 0.40 . 1 . . . A 40 VAL C . 30249 1 229 . 1 1 40 40 VAL CA C 13 60.207 0.40 . 1 . . . A 40 VAL CA . 30249 1 230 . 1 1 40 40 VAL CB C 13 35.285 0.40 . 1 . . . A 40 VAL CB . 30249 1 231 . 1 1 40 40 VAL CG1 C 13 20.033 0.40 . 2 . . . A 40 VAL CG1 . 30249 1 232 . 1 1 40 40 VAL CG2 C 13 21.559 0.40 . 2 . . . A 40 VAL CG2 . 30249 1 233 . 1 1 40 40 VAL N N 15 117.702 0.40 . 1 . . . A 40 VAL N . 30249 1 234 . 1 1 41 41 THR H H 1 8.603 0.04 . 1 . . . A 41 THR H . 30249 1 235 . 1 1 41 41 THR HA H 1 5.094 0.04 . 1 . . . A 41 THR HA . 30249 1 236 . 1 1 41 41 THR HB H 1 3.767 0.04 . 1 . . . A 41 THR HB . 30249 1 237 . 1 1 41 41 THR HG21 H 1 0.812 0.04 . 1 . . . A 41 THR HG21 . 30249 1 238 . 1 1 41 41 THR HG22 H 1 0.812 0.04 . 1 . . . A 41 THR HG22 . 30249 1 239 . 1 1 41 41 THR HG23 H 1 0.812 0.04 . 1 . . . A 41 THR HG23 . 30249 1 240 . 1 1 41 41 THR C C 13 173.434 0.40 . 1 . . . A 41 THR C . 30249 1 241 . 1 1 41 41 THR CA C 13 61.578 0.40 . 1 . . . A 41 THR CA . 30249 1 242 . 1 1 41 41 THR CB C 13 69.081 0.40 . 1 . . . A 41 THR CB . 30249 1 243 . 1 1 41 41 THR CG2 C 13 20.960 0.40 . 1 . . . A 41 THR CG2 . 30249 1 244 . 1 1 41 41 THR N N 15 124.305 0.40 . 1 . . . A 41 THR N . 30249 1 245 . 1 1 42 42 TRP H H 1 9.236 0.04 . 1 . . . A 42 TRP H . 30249 1 246 . 1 1 42 42 TRP HA H 1 4.717 0.04 . 1 . . . A 42 TRP HA . 30249 1 247 . 1 1 42 42 TRP HB2 H 1 3.156 0.04 . 2 . . . A 42 TRP HB2 . 30249 1 248 . 1 1 42 42 TRP HB3 H 1 2.852 0.04 . 2 . . . A 42 TRP HB3 . 30249 1 249 . 1 1 42 42 TRP HD1 H 1 7.038 0.04 . 1 . . . A 42 TRP HD1 . 30249 1 250 . 1 1 42 42 TRP HE1 H 1 10.072 0.04 . 1 . . . A 42 TRP HE1 . 30249 1 251 . 1 1 42 42 TRP HZ2 H 1 7.212 0.04 . 1 . . . A 42 TRP HZ2 . 30249 1 252 . 1 1 42 42 TRP HH2 H 1 6.932 0.04 . 1 . . . A 42 TRP HH2 . 30249 1 253 . 1 1 42 42 TRP CA C 13 56.685 0.40 . 1 . . . A 42 TRP CA . 30249 1 254 . 1 1 42 42 TRP CB C 13 31.802 0.40 . 1 . . . A 42 TRP CB . 30249 1 255 . 1 1 42 42 TRP CD1 C 13 128.625 0.40 . 1 . . . A 42 TRP CD1 . 30249 1 256 . 1 1 42 42 TRP CZ2 C 13 116.625 0.40 . 1 . . . A 42 TRP CZ2 . 30249 1 257 . 1 1 42 42 TRP CH2 C 13 125.625 0.40 . 1 . . . A 42 TRP CH2 . 30249 1 258 . 1 1 42 42 TRP N N 15 128.802 0.40 . 1 . . . A 42 TRP N . 30249 1 259 . 1 1 42 42 TRP NE1 N 15 129.219 0.40 . 1 . . . A 42 TRP NE1 . 30249 1 260 . 1 1 43 43 ASN HA H 1 3.794 0.04 . 1 . . . A 43 ASN HA . 30249 1 261 . 1 1 43 43 ASN HB2 H 1 2.602 0.04 . 2 . . . A 43 ASN HB2 . 30249 1 262 . 1 1 43 43 ASN HB3 H 1 1.512 0.04 . 2 . . . A 43 ASN HB3 . 30249 1 263 . 1 1 43 43 ASN HD21 H 1 6.389 0.04 . 2 . . . A 43 ASN HD21 . 30249 1 264 . 1 1 43 43 ASN HD22 H 1 6.700 0.04 . 2 . . . A 43 ASN HD22 . 30249 1 265 . 1 1 43 43 ASN C C 13 175.365 0.40 . 1 . . . A 43 ASN C . 30249 1 266 . 1 1 43 43 ASN CA C 13 53.142 0.40 . 1 . . . A 43 ASN CA . 30249 1 267 . 1 1 43 43 ASN CB C 13 36.709 0.40 . 1 . . . A 43 ASN CB . 30249 1 268 . 1 1 43 43 ASN ND2 N 15 111.126 0.40 . 1 . . . A 43 ASN ND2 . 30249 1 269 . 1 1 44 44 GLY H H 1 8.343 0.04 . 1 . . . A 44 GLY H . 30249 1 270 . 1 1 44 44 GLY HA2 H 1 3.929 0.04 . 2 . . . A 44 GLY HA2 . 30249 1 271 . 1 1 44 44 GLY HA3 H 1 3.307 0.04 . 2 . . . A 44 GLY HA3 . 30249 1 272 . 1 1 44 44 GLY C C 13 173.845 0.40 . 1 . . . A 44 GLY C . 30249 1 273 . 1 1 44 44 GLY CA C 13 45.227 0.40 . 1 . . . A 44 GLY CA . 30249 1 274 . 1 1 44 44 GLY N N 15 103.053 0.40 . 1 . . . A 44 GLY N . 30249 1 275 . 1 1 45 45 THR H H 1 7.578 0.04 . 1 . . . A 45 THR H . 30249 1 276 . 1 1 45 45 THR HA H 1 4.230 0.04 . 1 . . . A 45 THR HA . 30249 1 277 . 1 1 45 45 THR HB H 1 3.765 0.04 . 1 . . . A 45 THR HB . 30249 1 278 . 1 1 45 45 THR HG21 H 1 0.421 0.04 . 1 . . . A 45 THR HG21 . 30249 1 279 . 1 1 45 45 THR HG22 H 1 0.421 0.04 . 1 . . . A 45 THR HG22 . 30249 1 280 . 1 1 45 45 THR HG23 H 1 0.421 0.04 . 1 . . . A 45 THR HG23 . 30249 1 281 . 1 1 45 45 THR C C 13 172.010 0.40 . 1 . . . A 45 THR C . 30249 1 282 . 1 1 45 45 THR CA C 13 61.687 0.40 . 1 . . . A 45 THR CA . 30249 1 283 . 1 1 45 45 THR CB C 13 71.025 0.40 . 1 . . . A 45 THR CB . 30249 1 284 . 1 1 45 45 THR CG2 C 13 20.851 0.40 . 1 . . . A 45 THR CG2 . 30249 1 285 . 1 1 45 45 THR N N 15 118.576 0.40 . 1 . . . A 45 THR N . 30249 1 286 . 1 1 46 46 THR H H 1 8.617 0.04 . 1 . . . A 46 THR H . 30249 1 287 . 1 1 46 46 THR HA H 1 4.638 0.04 . 1 . . . A 46 THR HA . 30249 1 288 . 1 1 46 46 THR HB H 1 3.688 0.04 . 1 . . . A 46 THR HB . 30249 1 289 . 1 1 46 46 THR HG21 H 1 0.831 0.04 . 1 . . . A 46 THR HG21 . 30249 1 290 . 1 1 46 46 THR HG22 H 1 0.831 0.04 . 1 . . . A 46 THR HG22 . 30249 1 291 . 1 1 46 46 THR HG23 H 1 0.831 0.04 . 1 . . . A 46 THR HG23 . 30249 1 292 . 1 1 46 46 THR C C 13 173.215 0.40 . 1 . . . A 46 THR C . 30249 1 293 . 1 1 46 46 THR CA C 13 62.454 0.40 . 1 . . . A 46 THR CA . 30249 1 294 . 1 1 46 46 THR CB C 13 68.972 0.40 . 1 . . . A 46 THR CB . 30249 1 295 . 1 1 46 46 THR CG2 C 13 21.314 0.40 . 1 . . . A 46 THR CG2 . 30249 1 296 . 1 1 46 46 THR N N 15 123.197 0.40 . 1 . . . A 46 THR N . 30249 1 297 . 1 1 47 47 TYR H H 1 9.500 0.04 . 1 . . . A 47 TYR H . 30249 1 298 . 1 1 47 47 TYR HA H 1 4.463 0.04 . 1 . . . A 47 TYR HA . 30249 1 299 . 1 1 47 47 TYR HB2 H 1 2.714 0.04 . 2 . . . A 47 TYR HB2 . 30249 1 300 . 1 1 47 47 TYR HB3 H 1 2.559 0.04 . 2 . . . A 47 TYR HB3 . 30249 1 301 . 1 1 47 47 TYR HD1 H 1 6.976 0.04 . 3 . . . A 47 TYR HD1 . 30249 1 302 . 1 1 47 47 TYR HD2 H 1 6.976 0.04 . 3 . . . A 47 TYR HD2 . 30249 1 303 . 1 1 47 47 TYR HE1 H 1 6.881 0.04 . 3 . . . A 47 TYR HE1 . 30249 1 304 . 1 1 47 47 TYR HE2 H 1 6.881 0.04 . 3 . . . A 47 TYR HE2 . 30249 1 305 . 1 1 47 47 TYR C C 13 174.954 0.40 . 1 . . . A 47 TYR C . 30249 1 306 . 1 1 47 47 TYR CA C 13 57.716 0.40 . 1 . . . A 47 TYR CA . 30249 1 307 . 1 1 47 47 TYR CB C 13 40.817 0.40 . 1 . . . A 47 TYR CB . 30249 1 308 . 1 1 47 47 TYR CD1 C 13 134.625 0.40 . 3 . . . A 47 TYR CD1 . 30249 1 309 . 1 1 47 47 TYR CE1 C 13 119.625 0.40 . 3 . . . A 47 TYR CE1 . 30249 1 310 . 1 1 47 47 TYR N N 15 128.786 0.40 . 1 . . . A 47 TYR N . 30249 1 311 . 1 1 48 48 THR H H 1 8.526 0.04 . 1 . . . A 48 THR H . 30249 1 312 . 1 1 48 48 THR HA H 1 4.214 0.04 . 1 . . . A 48 THR HA . 30249 1 313 . 1 1 48 48 THR HB H 1 4.085 0.04 . 1 . . . A 48 THR HB . 30249 1 314 . 1 1 48 48 THR HG21 H 1 0.931 0.04 . 1 . . . A 48 THR HG21 . 30249 1 315 . 1 1 48 48 THR HG22 H 1 0.931 0.04 . 1 . . . A 48 THR HG22 . 30249 1 316 . 1 1 48 48 THR HG23 H 1 0.931 0.04 . 1 . . . A 48 THR HG23 . 30249 1 317 . 1 1 48 48 THR C C 13 173.955 0.40 . 1 . . . A 48 THR C . 30249 1 318 . 1 1 48 48 THR CA C 13 61.386 0.40 . 1 . . . A 48 THR CA . 30249 1 319 . 1 1 48 48 THR CB C 13 69.602 0.40 . 1 . . . A 48 THR CB . 30249 1 320 . 1 1 48 48 THR CG2 C 13 21.450 0.40 . 1 . . . A 48 THR CG2 . 30249 1 321 . 1 1 48 48 THR N N 15 110.984 0.40 . 1 . . . A 48 THR N . 30249 1 322 . 1 1 49 49 ASP H H 1 7.913 0.04 . 1 . . . A 49 ASP H . 30249 1 323 . 1 1 49 49 ASP HA H 1 4.924 0.04 . 1 . . . A 49 ASP HA . 30249 1 324 . 1 1 49 49 ASP HB2 H 1 2.788 0.04 . 2 . . . A 49 ASP HB2 . 30249 1 325 . 1 1 49 49 ASP HB3 H 1 2.578 0.04 . 2 . . . A 49 ASP HB3 . 30249 1 326 . 1 1 49 49 ASP CA C 13 50.719 0.40 . 1 . . . A 49 ASP CA . 30249 1 327 . 1 1 49 49 ASP CB C 13 42.534 0.40 . 1 . . . A 49 ASP CB . 30249 1 328 . 1 1 49 49 ASP N N 15 124.478 0.40 . 1 . . . A 49 ASP N . 30249 1 329 . 1 1 50 50 PRO HA H 1 3.946 0.04 . 1 . . . A 50 PRO HA . 30249 1 330 . 1 1 50 50 PRO HB2 H 1 2.249 0.04 . 2 . . . A 50 PRO HB2 . 30249 1 331 . 1 1 50 50 PRO HB3 H 1 1.769 0.04 . 2 . . . A 50 PRO HB3 . 30249 1 332 . 1 1 50 50 PRO HG2 H 1 1.888 0.04 . 2 . . . A 50 PRO HG2 . 30249 1 333 . 1 1 50 50 PRO HG3 H 1 1.888 0.04 . 2 . . . A 50 PRO HG3 . 30249 1 334 . 1 1 50 50 PRO HD2 H 1 3.869 0.04 . 2 . . . A 50 PRO HD2 . 30249 1 335 . 1 1 50 50 PRO HD3 H 1 3.869 0.04 . 2 . . . A 50 PRO HD3 . 30249 1 336 . 1 1 50 50 PRO C C 13 178.268 0.40 . 1 . . . A 50 PRO C . 30249 1 337 . 1 1 50 50 PRO CA C 13 64.699 0.40 . 1 . . . A 50 PRO CA . 30249 1 338 . 1 1 50 50 PRO CB C 13 32.069 0.40 . 1 . . . A 50 PRO CB . 30249 1 339 . 1 1 50 50 PRO CG C 13 27.143 0.40 . 1 . . . A 50 PRO CG . 30249 1 340 . 1 1 50 50 PRO CD C 13 51.251 0.40 . 1 . . . A 50 PRO CD . 30249 1 341 . 1 1 51 51 ASN H H 1 8.396 0.04 . 1 . . . A 51 ASN H . 30249 1 342 . 1 1 51 51 ASN HA H 1 4.185 0.04 . 1 . . . A 51 ASN HA . 30249 1 343 . 1 1 51 51 ASN HB2 H 1 2.746 0.04 . 2 . . . A 51 ASN HB2 . 30249 1 344 . 1 1 51 51 ASN HB3 H 1 2.513 0.04 . 2 . . . A 51 ASN HB3 . 30249 1 345 . 1 1 51 51 ASN HD21 H 1 6.945 0.04 . 2 . . . A 51 ASN HD21 . 30249 1 346 . 1 1 51 51 ASN HD22 H 1 7.951 0.04 . 2 . . . A 51 ASN HD22 . 30249 1 347 . 1 1 51 51 ASN C C 13 178.665 0.40 . 1 . . . A 51 ASN C . 30249 1 348 . 1 1 51 51 ASN CA C 13 56.163 0.40 . 1 . . . A 51 ASN CA . 30249 1 349 . 1 1 51 51 ASN CB C 13 37.873 0.40 . 1 . . . A 51 ASN CB . 30249 1 350 . 1 1 51 51 ASN N N 15 115.131 0.40 . 1 . . . A 51 ASN N . 30249 1 351 . 1 1 51 51 ASN ND2 N 15 115.576 0.40 . 1 . . . A 51 ASN ND2 . 30249 1 352 . 1 1 52 52 GLU H H 1 7.609 0.04 . 1 . . . A 52 GLU H . 30249 1 353 . 1 1 52 52 GLU HA H 1 3.940 0.04 . 1 . . . A 52 GLU HA . 30249 1 354 . 1 1 52 52 GLU HB2 H 1 2.090 0.04 . 2 . . . A 52 GLU HB2 . 30249 1 355 . 1 1 52 52 GLU HB3 H 1 2.176 0.04 . 2 . . . A 52 GLU HB3 . 30249 1 356 . 1 1 52 52 GLU HG2 H 1 2.400 0.04 . 2 . . . A 52 GLU HG2 . 30249 1 357 . 1 1 52 52 GLU HG3 H 1 2.168 0.04 . 2 . . . A 52 GLU HG3 . 30249 1 358 . 1 1 52 52 GLU C C 13 178.912 0.40 . 1 . . . A 52 GLU C . 30249 1 359 . 1 1 52 52 GLU CA C 13 58.291 0.40 . 1 . . . A 52 GLU CA . 30249 1 360 . 1 1 52 52 GLU CB C 13 29.729 0.40 . 1 . . . A 52 GLU CB . 30249 1 361 . 1 1 52 52 GLU CG C 13 36.289 0.40 . 1 . . . A 52 GLU CG . 30249 1 362 . 1 1 52 52 GLU N N 15 119.166 0.40 . 1 . . . A 52 GLU N . 30249 1 363 . 1 1 53 53 ILE H H 1 7.347 0.04 . 1 . . . A 53 ILE H . 30249 1 364 . 1 1 53 53 ILE HA H 1 2.984 0.04 . 1 . . . A 53 ILE HA . 30249 1 365 . 1 1 53 53 ILE HB H 1 1.629 0.04 . 1 . . . A 53 ILE HB . 30249 1 366 . 1 1 53 53 ILE HG21 H 1 0.510 0.04 . 1 . . . A 53 ILE HG21 . 30249 1 367 . 1 1 53 53 ILE HG22 H 1 0.510 0.04 . 1 . . . A 53 ILE HG22 . 30249 1 368 . 1 1 53 53 ILE HG23 H 1 0.510 0.04 . 1 . . . A 53 ILE HG23 . 30249 1 369 . 1 1 53 53 ILE HD11 H 1 0.491 0.04 . 1 . . . A 53 ILE HD11 . 30249 1 370 . 1 1 53 53 ILE HD12 H 1 0.491 0.04 . 1 . . . A 53 ILE HD12 . 30249 1 371 . 1 1 53 53 ILE HD13 H 1 0.491 0.04 . 1 . . . A 53 ILE HD13 . 30249 1 372 . 1 1 53 53 ILE C C 13 177.447 0.40 . 1 . . . A 53 ILE C . 30249 1 373 . 1 1 53 53 ILE CA C 13 64.892 0.40 . 1 . . . A 53 ILE CA . 30249 1 374 . 1 1 53 53 ILE CB C 13 37.284 0.40 . 1 . . . A 53 ILE CB . 30249 1 375 . 1 1 53 53 ILE CG2 C 13 17.881 0.40 . 1 . . . A 53 ILE CG2 . 30249 1 376 . 1 1 53 53 ILE CD1 C 13 12.787 0.40 . 1 . . . A 53 ILE CD1 . 30249 1 377 . 1 1 53 53 ILE N N 15 120.358 0.40 . 1 . . . A 53 ILE N . 30249 1 378 . 1 1 54 54 LYS H H 1 8.012 0.04 . 1 . . . A 54 LYS H . 30249 1 379 . 1 1 54 54 LYS HA H 1 3.591 0.04 . 1 . . . A 54 LYS HA . 30249 1 380 . 1 1 54 54 LYS HB2 H 1 1.693 0.04 . 2 . . . A 54 LYS HB2 . 30249 1 381 . 1 1 54 54 LYS HB3 H 1 1.664 0.04 . 2 . . . A 54 LYS HB3 . 30249 1 382 . 1 1 54 54 LYS HE2 H 1 2.682 0.04 . 2 . . . A 54 LYS HE2 . 30249 1 383 . 1 1 54 54 LYS HE3 H 1 2.682 0.04 . 2 . . . A 54 LYS HE3 . 30249 1 384 . 1 1 54 54 LYS C C 13 178.516 0.40 . 1 . . . A 54 LYS C . 30249 1 385 . 1 1 54 54 LYS CA C 13 60.125 0.40 . 1 . . . A 54 LYS CA . 30249 1 386 . 1 1 54 54 LYS CB C 13 31.928 0.40 . 1 . . . A 54 LYS CB . 30249 1 387 . 1 1 54 54 LYS CE C 13 41.935 0.40 . 1 . . . A 54 LYS CE . 30249 1 388 . 1 1 54 54 LYS N N 15 118.631 0.40 . 1 . . . A 54 LYS N . 30249 1 389 . 1 1 55 55 LYS H H 1 6.992 0.04 . 1 . . . A 55 LYS H . 30249 1 390 . 1 1 55 55 LYS HA H 1 3.827 0.04 . 1 . . . A 55 LYS HA . 30249 1 391 . 1 1 55 55 LYS HB2 H 1 1.742 0.04 . 2 . . . A 55 LYS HB2 . 30249 1 392 . 1 1 55 55 LYS HB3 H 1 1.742 0.04 . 2 . . . A 55 LYS HB3 . 30249 1 393 . 1 1 55 55 LYS HE2 H 1 2.754 0.04 . 2 . . . A 55 LYS HE2 . 30249 1 394 . 1 1 55 55 LYS HE3 H 1 2.754 0.04 . 2 . . . A 55 LYS HE3 . 30249 1 395 . 1 1 55 55 LYS C C 13 178.694 0.40 . 1 . . . A 55 LYS C . 30249 1 396 . 1 1 55 55 LYS CA C 13 59.200 0.40 . 1 . . . A 55 LYS CA . 30249 1 397 . 1 1 55 55 LYS CB C 13 32.043 0.40 . 1 . . . A 55 LYS CB . 30249 1 398 . 1 1 55 55 LYS CE C 13 41.935 0.40 . 1 . . . A 55 LYS CE . 30249 1 399 . 1 1 55 55 LYS N N 15 118.453 0.40 . 1 . . . A 55 LYS N . 30249 1 400 . 1 1 56 56 VAL H H 1 7.138 0.04 . 1 . . . A 56 VAL H . 30249 1 401 . 1 1 56 56 VAL HA H 1 3.261 0.04 . 1 . . . A 56 VAL HA . 30249 1 402 . 1 1 56 56 VAL HB H 1 1.680 0.04 . 1 . . . A 56 VAL HB . 30249 1 403 . 1 1 56 56 VAL HG11 H 1 0.423 0.04 . 2 . . . A 56 VAL HG11 . 30249 1 404 . 1 1 56 56 VAL HG12 H 1 0.423 0.04 . 2 . . . A 56 VAL HG12 . 30249 1 405 . 1 1 56 56 VAL HG13 H 1 0.423 0.04 . 2 . . . A 56 VAL HG13 . 30249 1 406 . 1 1 56 56 VAL HG21 H 1 -0.106 0.04 . 2 . . . A 56 VAL HG21 . 30249 1 407 . 1 1 56 56 VAL HG22 H 1 -0.106 0.04 . 2 . . . A 56 VAL HG22 . 30249 1 408 . 1 1 56 56 VAL HG23 H 1 -0.106 0.04 . 2 . . . A 56 VAL HG23 . 30249 1 409 . 1 1 56 56 VAL C C 13 178.227 0.40 . 1 . . . A 56 VAL C . 30249 1 410 . 1 1 56 56 VAL CA C 13 66.260 0.40 . 1 . . . A 56 VAL CA . 30249 1 411 . 1 1 56 56 VAL CB C 13 30.848 0.40 . 1 . . . A 56 VAL CB . 30249 1 412 . 1 1 56 56 VAL CG1 C 13 21.641 0.40 . 2 . . . A 56 VAL CG1 . 30249 1 413 . 1 1 56 56 VAL CG2 C 13 20.578 0.40 . 2 . . . A 56 VAL CG2 . 30249 1 414 . 1 1 56 56 VAL N N 15 121.345 0.40 . 1 . . . A 56 VAL N . 30249 1 415 . 1 1 57 57 ILE H H 1 7.599 0.04 . 1 . . . A 57 ILE H . 30249 1 416 . 1 1 57 57 ILE HA H 1 3.035 0.04 . 1 . . . A 57 ILE HA . 30249 1 417 . 1 1 57 57 ILE HB H 1 1.645 0.04 . 1 . . . A 57 ILE HB . 30249 1 418 . 1 1 57 57 ILE HG21 H 1 0.649 0.04 . 1 . . . A 57 ILE HG21 . 30249 1 419 . 1 1 57 57 ILE HG22 H 1 0.649 0.04 . 1 . . . A 57 ILE HG22 . 30249 1 420 . 1 1 57 57 ILE HG23 H 1 0.649 0.04 . 1 . . . A 57 ILE HG23 . 30249 1 421 . 1 1 57 57 ILE HD11 H 1 0.493 0.04 . 1 . . . A 57 ILE HD11 . 30249 1 422 . 1 1 57 57 ILE HD12 H 1 0.493 0.04 . 1 . . . A 57 ILE HD12 . 30249 1 423 . 1 1 57 57 ILE HD13 H 1 0.493 0.04 . 1 . . . A 57 ILE HD13 . 30249 1 424 . 1 1 57 57 ILE C C 13 177.118 0.40 . 1 . . . A 57 ILE C . 30249 1 425 . 1 1 57 57 ILE CA C 13 66.260 0.40 . 1 . . . A 57 ILE CA . 30249 1 426 . 1 1 57 57 ILE CB C 13 38.023 0.40 . 1 . . . A 57 ILE CB . 30249 1 427 . 1 1 57 57 ILE CG2 C 13 17.500 0.40 . 1 . . . A 57 ILE CG2 . 30249 1 428 . 1 1 57 57 ILE CD1 C 13 14.258 0.40 . 1 . . . A 57 ILE CD1 . 30249 1 429 . 1 1 57 57 ILE N N 15 119.132 0.40 . 1 . . . A 57 ILE N . 30249 1 430 . 1 1 58 58 GLU H H 1 7.804 0.04 . 1 . . . A 58 GLU H . 30249 1 431 . 1 1 58 58 GLU HA H 1 3.739 0.04 . 1 . . . A 58 GLU HA . 30249 1 432 . 1 1 58 58 GLU HB2 H 1 1.872 0.04 . 2 . . . A 58 GLU HB2 . 30249 1 433 . 1 1 58 58 GLU HB3 H 1 1.872 0.04 . 2 . . . A 58 GLU HB3 . 30249 1 434 . 1 1 58 58 GLU HG2 H 1 2.088 0.04 . 2 . . . A 58 GLU HG2 . 30249 1 435 . 1 1 58 58 GLU HG3 H 1 2.088 0.04 . 2 . . . A 58 GLU HG3 . 30249 1 436 . 1 1 58 58 GLU C C 13 179.049 0.40 . 1 . . . A 58 GLU C . 30249 1 437 . 1 1 58 58 GLU CA C 13 58.975 0.40 . 1 . . . A 58 GLU CA . 30249 1 438 . 1 1 58 58 GLU CB C 13 28.985 0.40 . 1 . . . A 58 GLU CB . 30249 1 439 . 1 1 58 58 GLU CG C 13 35.969 0.40 . 1 . . . A 58 GLU CG . 30249 1 440 . 1 1 58 58 GLU N N 15 117.615 0.40 . 1 . . . A 58 GLU N . 30249 1 441 . 1 1 59 59 GLU H H 1 7.732 0.04 . 1 . . . A 59 GLU H . 30249 1 442 . 1 1 59 59 GLU HA H 1 3.831 0.04 . 1 . . . A 59 GLU HA . 30249 1 443 . 1 1 59 59 GLU HB2 H 1 1.975 0.04 . 2 . . . A 59 GLU HB2 . 30249 1 444 . 1 1 59 59 GLU HB3 H 1 1.975 0.04 . 2 . . . A 59 GLU HB3 . 30249 1 445 . 1 1 59 59 GLU HG2 H 1 2.112 0.04 . 2 . . . A 59 GLU HG2 . 30249 1 446 . 1 1 59 59 GLU HG3 H 1 2.112 0.04 . 2 . . . A 59 GLU HG3 . 30249 1 447 . 1 1 59 59 GLU C C 13 179.953 0.40 . 1 . . . A 59 GLU C . 30249 1 448 . 1 1 59 59 GLU CA C 13 58.894 0.40 . 1 . . . A 59 GLU CA . 30249 1 449 . 1 1 59 59 GLU CB C 13 29.040 0.40 . 1 . . . A 59 GLU CB . 30249 1 450 . 1 1 59 59 GLU CG C 13 35.969 0.40 . 1 . . . A 59 GLU CG . 30249 1 451 . 1 1 59 59 GLU N N 15 119.373 0.40 . 1 . . . A 59 GLU N . 30249 1 452 . 1 1 60 60 LEU H H 1 8.078 0.04 . 1 . . . A 60 LEU H . 30249 1 453 . 1 1 60 60 LEU HA H 1 3.858 0.04 . 1 . . . A 60 LEU HA . 30249 1 454 . 1 1 60 60 LEU HB2 H 1 1.725 0.04 . 2 . . . A 60 LEU HB2 . 30249 1 455 . 1 1 60 60 LEU HB3 H 1 1.040 0.04 . 2 . . . A 60 LEU HB3 . 30249 1 456 . 1 1 60 60 LEU HG H 1 1.520 0.04 . 1 . . . A 60 LEU HG . 30249 1 457 . 1 1 60 60 LEU HD11 H 1 0.355 0.04 . 2 . . . A 60 LEU HD11 . 30249 1 458 . 1 1 60 60 LEU HD12 H 1 0.355 0.04 . 2 . . . A 60 LEU HD12 . 30249 1 459 . 1 1 60 60 LEU HD13 H 1 0.355 0.04 . 2 . . . A 60 LEU HD13 . 30249 1 460 . 1 1 60 60 LEU HD21 H 1 0.722 0.04 . 2 . . . A 60 LEU HD21 . 30249 1 461 . 1 1 60 60 LEU HD22 H 1 0.722 0.04 . 2 . . . A 60 LEU HD22 . 30249 1 462 . 1 1 60 60 LEU HD23 H 1 0.722 0.04 . 2 . . . A 60 LEU HD23 . 30249 1 463 . 1 1 60 60 LEU C C 13 180.103 0.40 . 1 . . . A 60 LEU C . 30249 1 464 . 1 1 60 60 LEU CA C 13 57.606 0.40 . 1 . . . A 60 LEU CA . 30249 1 465 . 1 1 60 60 LEU CB C 13 41.733 0.40 . 1 . . . A 60 LEU CB . 30249 1 466 . 1 1 60 60 LEU CG C 13 26.639 0.40 . 1 . . . A 60 LEU CG . 30249 1 467 . 1 1 60 60 LEU CD1 C 13 25.863 0.40 . 2 . . . A 60 LEU CD1 . 30249 1 468 . 1 1 60 60 LEU CD2 C 13 22.921 0.40 . 2 . . . A 60 LEU CD2 . 30249 1 469 . 1 1 60 60 LEU N N 15 121.562 0.40 . 1 . . . A 60 LEU N . 30249 1 470 . 1 1 61 61 ARG H H 1 8.277 0.04 . 1 . . . A 61 ARG H . 30249 1 471 . 1 1 61 61 ARG HA H 1 3.657 0.04 . 1 . . . A 61 ARG HA . 30249 1 472 . 1 1 61 61 ARG HB2 H 1 1.691 0.04 . 2 . . . A 61 ARG HB2 . 30249 1 473 . 1 1 61 61 ARG HB3 H 1 1.691 0.04 . 2 . . . A 61 ARG HB3 . 30249 1 474 . 1 1 61 61 ARG HD2 H 1 3.005 0.04 . 2 . . . A 61 ARG HD2 . 30249 1 475 . 1 1 61 61 ARG HD3 H 1 3.005 0.04 . 2 . . . A 61 ARG HD3 . 30249 1 476 . 1 1 61 61 ARG C C 13 178.460 0.40 . 1 . . . A 61 ARG C . 30249 1 477 . 1 1 61 61 ARG CA C 13 59.523 0.40 . 1 . . . A 61 ARG CA . 30249 1 478 . 1 1 61 61 ARG CB C 13 29.780 0.40 . 1 . . . A 61 ARG CB . 30249 1 479 . 1 1 61 61 ARG CD C 13 43.133 0.40 . 1 . . . A 61 ARG CD . 30249 1 480 . 1 1 61 61 ARG N N 15 118.835 0.40 . 1 . . . A 61 ARG N . 30249 1 481 . 1 1 62 62 LYS H H 1 7.488 0.04 . 1 . . . A 62 LYS H . 30249 1 482 . 1 1 62 62 LYS HA H 1 4.005 0.04 . 1 . . . A 62 LYS HA . 30249 1 483 . 1 1 62 62 LYS HB2 H 1 1.752 0.04 . 2 . . . A 62 LYS HB2 . 30249 1 484 . 1 1 62 62 LYS HB3 H 1 1.752 0.04 . 2 . . . A 62 LYS HB3 . 30249 1 485 . 1 1 62 62 LYS C C 13 177.036 0.40 . 1 . . . A 62 LYS C . 30249 1 486 . 1 1 62 62 LYS CA C 13 57.852 0.40 . 1 . . . A 62 LYS CA . 30249 1 487 . 1 1 62 62 LYS CB C 13 32.601 0.40 . 1 . . . A 62 LYS CB . 30249 1 488 . 1 1 62 62 LYS N N 15 117.279 0.40 . 1 . . . A 62 LYS N . 30249 1 489 . 1 1 63 63 SER H H 1 7.585 0.04 . 1 . . . A 63 SER H . 30249 1 490 . 1 1 63 63 SER HA H 1 4.338 0.04 . 1 . . . A 63 SER HA . 30249 1 491 . 1 1 63 63 SER HB2 H 1 3.884 0.04 . 2 . . . A 63 SER HB2 . 30249 1 492 . 1 1 63 63 SER HB3 H 1 3.841 0.04 . 2 . . . A 63 SER HB3 . 30249 1 493 . 1 1 63 63 SER C C 13 173.352 0.40 . 1 . . . A 63 SER C . 30249 1 494 . 1 1 63 63 SER CA C 13 58.974 0.40 . 1 . . . A 63 SER CA . 30249 1 495 . 1 1 63 63 SER CB C 13 64.029 0.40 . 1 . . . A 63 SER CB . 30249 1 496 . 1 1 63 63 SER N N 15 114.301 0.40 . 1 . . . A 63 SER N . 30249 1 497 . 1 1 64 64 MET H H 1 7.168 0.04 . 1 . . . A 64 MET H . 30249 1 498 . 1 1 64 64 MET HA H 1 3.982 0.04 . 1 . . . A 64 MET HA . 30249 1 499 . 1 1 64 64 MET HB2 H 1 1.925 0.04 . 2 . . . A 64 MET HB2 . 30249 1 500 . 1 1 64 64 MET HB3 H 1 1.824 0.04 . 2 . . . A 64 MET HB3 . 30249 1 501 . 1 1 64 64 MET HG2 H 1 2.413 0.04 . 2 . . . A 64 MET HG2 . 30249 1 502 . 1 1 64 64 MET HG3 H 1 2.263 0.04 . 2 . . . A 64 MET HG3 . 30249 1 503 . 1 1 64 64 MET CA C 13 57.775 0.40 . 1 . . . A 64 MET CA . 30249 1 504 . 1 1 64 64 MET CB C 13 33.953 0.40 . 1 . . . A 64 MET CB . 30249 1 505 . 1 1 64 64 MET CG C 13 32.360 0.40 . 1 . . . A 64 MET CG . 30249 1 506 . 1 1 64 64 MET N N 15 126.521 0.40 . 1 . . . A 64 MET N . 30249 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 30249 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 2 123.286 4.195 8.200 1 U 0.414E+07 0.000E+00 e 0 0 0 0 3 123.286 2.159 8.195 1 U 0.441E+07 0.000E+00 e 0 0 0 0 4 122.931 4.191 8.344 1 U 0.229E+08 0.000E+00 e 0 0 0 0 5 122.931 4.437 8.343 1 U 0.103E+08 0.000E+00 e 0 0 0 0 6 122.931 4.672 8.340 1 U 0.110E+08 0.000E+00 e 0 0 0 0 7 122.931 2.690 8.342 1 U 0.129E+08 0.000E+00 e 0 0 0 0 8 122.931 2.622 8.343 1 U 0.137E+08 0.000E+00 e 0 0 0 0 9 122.931 2.319 8.344 1 U 0.374E+07 0.000E+00 e 0 0 0 0 10 122.931 1.828 8.348 1 U 0.755E+07 0.000E+00 e 0 0 0 0 11 122.931 8.356 8.346 1 U 0.841E+08 0.000E+00 e 0 0 0 0 12 119.254 4.413 8.308 1 U 0.455E+07 0.000E+00 e 0 0 0 0 13 119.254 4.205 8.306 1 U 0.667E+07 0.000E+00 e 0 0 0 0 14 119.254 2.588 8.309 1 U 0.310E+07 0.000E+00 e 0 0 0 0 15 119.254 2.700 8.315 1 U 0.376E+07 0.000E+00 e 0 0 0 0 17 119.254 0.545 8.307 1 U 0.517E+07 0.000E+00 e 0 0 0 0 19 119.380 3.524 7.863 1 U 0.922E+07 0.000E+00 e 0 0 0 0 20 119.380 3.701 7.869 1 U 0.397E+07 0.000E+00 e 0 0 0 0 21 119.380 4.191 7.864 1 U 0.553E+07 0.000E+00 e 0 0 0 0 22 119.380 3.115 7.867 1 U 0.344E+07 0.000E+00 e 0 0 0 0 23 119.380 1.634 7.865 1 U 0.612E+07 0.000E+00 e 0 0 0 0 24 118.745 1.648 8.226 1 U 0.534E+08 0.000E+00 e 0 0 0 0 25 118.745 3.728 8.232 1 U 0.642E+07 0.000E+00 e 0 0 0 0 26 118.745 3.514 8.225 1 U 0.629E+07 0.000E+00 e 0 0 0 0 27 118.745 1.910 8.227 1 U 0.662E+07 0.000E+00 e 0 0 0 0 28 118.485 8.237 7.954 1 U 0.465E+07 0.000E+00 e 0 0 0 0 29 118.485 8.611 7.952 1 U 0.364E+07 0.000E+00 e 0 0 0 0 30 118.485 3.997 7.954 1 U 0.580E+07 0.000E+00 e 0 0 0 0 31 118.485 3.061 7.958 1 U 0.449E+07 0.000E+00 e 0 0 0 0 32 118.485 2.380 7.956 1 U 0.324E+07 0.000E+00 e 0 0 0 0 33 118.485 1.825 7.958 1 U 0.298E+08 0.000E+00 e 0 0 0 0 34 118.485 1.702 7.955 1 U 0.275E+08 0.000E+00 e 0 0 0 0 35 118.485 1.512 7.962 1 U 0.111E+08 0.000E+00 e 0 0 0 0 36 120.562 3.122 7.819 1 U 0.686E+07 0.000E+00 e 0 0 0 0 37 120.562 2.155 7.819 1 U 0.422E+07 0.000E+00 e 0 0 0 0 38 120.562 1.999 7.817 1 U 0.439E+07 0.000E+00 e 0 0 0 0 39 120.562 1.835 7.821 1 U 0.146E+08 0.000E+00 e 0 0 0 0 40 120.562 0.517 7.821 1 U 0.525E+07 0.000E+00 e 0 0 0 0 42 129.219 0.739 10.067 1 U 0.464E+07 0.000E+00 e 0 0 0 0 43 129.219 0.351 10.066 1 U 0.435E+07 0.000E+00 e 0 0 0 0 44 129.219 4.702 10.072 1 U 0.121E+08 0.000E+00 e 0 0 0 0 45 129.219 7.038 10.072 1 U 0.285E+08 0.000E+00 e 0 0 0 0 46 129.219 7.205 10.071 1 U 0.126E+08 0.000E+00 e 0 0 0 0 47 118.519 3.098 8.610 1 U 0.475E+07 0.000E+00 e 0 0 0 0 48 118.519 0.640 8.612 1 U 0.640E+07 0.000E+00 e 0 0 0 0 49 118.519 0.487 8.615 1 U 0.787E+07 0.000E+00 e 0 0 0 0 50 118.519 3.892 8.609 1 U 0.919E+07 0.000E+00 e 0 0 0 0 51 118.519 7.705 8.611 1 U 0.296E+08 0.000E+00 e 0 0 0 0 52 117.942 3.803 7.424 1 U 0.101E+08 0.000E+00 e 0 0 0 0 53 117.942 1.743 7.427 1 U 0.333E+07 0.000E+00 e 0 0 0 0 54 120.664 1.988 7.700 1 U 0.169E+08 0.000E+00 e 0 0 0 0 55 120.664 0.504 7.703 1 U 0.597E+07 0.000E+00 e 0 0 0 0 56 120.664 3.868 7.699 1 U 0.108E+08 0.000E+00 e 0 0 0 0 57 116.161 1.430 7.422 1 U 0.177E+08 0.000E+00 e 0 0 0 0 58 116.161 2.165 7.422 1 U 0.349E+07 0.000E+00 e 0 0 0 0 59 116.161 3.609 7.420 1 U 0.625E+07 0.000E+00 e 0 0 0 0 60 116.161 7.688 7.420 1 U 0.574E+07 0.000E+00 e 0 0 0 0 61 116.646 4.665 7.907 1 U 0.117E+08 0.000E+00 e 0 0 0 0 62 116.646 3.970 7.906 1 U 0.832E+07 0.000E+00 e 0 0 0 0 63 116.646 1.444 7.909 1 U 0.501E+07 0.000E+00 e 0 0 0 0 65 117.147 0.797 7.383 1 U 0.610E+07 0.000E+00 e 0 0 0 0 66 117.147 3.582 7.384 1 U 0.570E+07 0.000E+00 e 0 0 0 0 67 117.147 7.545 7.384 1 U 0.664E+07 0.000E+00 e 0 0 0 0 68 117.147 6.926 7.384 1 U 0.453E+07 0.000E+00 e 0 0 0 0 70 117.702 9.500 8.265 1 U 0.916E+07 0.000E+00 e 0 0 0 0 71 117.702 4.222 8.267 1 U 0.554E+07 0.000E+00 e 0 0 0 0 72 117.702 2.727 8.271 1 U 0.679E+07 0.000E+00 e 0 0 0 0 73 117.702 2.554 8.269 1 U 0.447E+07 0.000E+00 e 0 0 0 0 74 117.702 1.682 8.269 1 U 0.702E+07 0.000E+00 e 0 0 0 0 75 117.702 0.504 8.267 1 U 0.526E+07 0.000E+00 e 0 0 0 0 76 124.305 2.019 8.611 1 U 0.459E+07 0.000E+00 e 0 0 0 0 77 124.305 4.692 8.596 1 U 0.379E+07 0.000E+00 e 0 0 0 0 78 128.802 7.569 9.234 1 U 0.759E+07 0.000E+00 e 0 0 0 0 79 128.802 6.984 9.239 1 U 0.548E+07 0.000E+00 e 0 0 0 0 82 128.802 4.614 9.238 1 U 0.975E+07 0.000E+00 e 0 0 0 0 83 128.802 0.674 9.242 1 U 0.404E+07 0.000E+00 e 0 0 0 0 84 128.802 0.439 9.239 1 U 0.386E+07 0.000E+00 e 0 0 0 0 86 103.053 5.107 8.341 1 U 0.375E+07 0.000E+00 e 0 0 0 0 87 103.053 4.202 8.346 1 U 0.485E+07 0.000E+00 e 0 0 0 0 88 103.053 0.786 8.346 1 U 0.666E+07 0.000E+00 e 0 0 0 0 89 103.053 0.436 8.346 1 U 0.280E+07 0.000E+00 e 0 0 0 0 90 118.576 0.803 7.573 1 U 0.999E+07 0.000E+00 e 0 0 0 0 91 118.576 0.998 7.577 1 U 0.458E+07 0.000E+00 e 0 0 0 0 92 118.576 1.553 7.579 1 U 0.456E+07 0.000E+00 e 0 0 0 0 93 118.576 4.675 7.575 1 U 0.393E+07 0.000E+00 e 0 0 0 0 94 118.576 5.111 7.575 1 U 0.389E+07 0.000E+00 e 0 0 0 0 96 118.576 9.248 7.575 1 U 0.165E+08 0.000E+00 e 0 0 0 0 98 123.197 8.199 8.616 1 U 0.484E+07 0.000E+00 e 0 0 0 0 99 123.197 2.615 8.620 1 U 0.342E+07 0.000E+00 e 0 0 0 0 100 123.197 2.162 8.616 1 U 0.424E+07 0.000E+00 e 0 0 0 0 101 123.197 5.077 8.615 1 U 0.480E+07 0.000E+00 e 0 0 0 0 103 128.786 5.080 9.498 1 U 0.831E+07 0.000E+00 e 0 0 0 0 104 128.786 6.980 9.493 1 U 0.107E+08 0.000E+00 e 0 0 0 0 106 128.786 7.590 9.492 1 U 0.385E+07 0.000E+00 e 0 0 0 0 107 128.786 8.274 9.499 1 U 0.786E+07 0.000E+00 e 0 0 0 0 108 110.984 4.631 8.525 1 U 0.817E+07 0.000E+00 e 0 0 0 0 109 110.984 0.429 8.529 1 U 0.347E+07 0.000E+00 e 0 0 0 0 110 124.478 2.193 7.909 1 U 0.623E+07 0.000E+00 e 0 0 0 0 111 124.478 2.050 7.909 1 U 0.329E+07 0.000E+00 e 0 0 0 0 112 124.478 4.464 7.909 1 U 0.101E+08 0.000E+00 e 0 0 0 0 113 124.478 4.668 7.910 1 U 0.699E+07 0.000E+00 e 0 0 0 0 115 124.478 6.922 7.911 1 U 0.448E+07 0.000E+00 e 0 0 0 0 116 115.131 7.954 8.395 1 U 0.922E+07 0.000E+00 e 0 0 0 0 117 115.131 7.368 8.395 1 U 0.643E+07 0.000E+00 e 0 0 0 0 118 115.131 6.946 8.393 1 U 0.530E+07 0.000E+00 e 0 0 0 0 119 115.131 4.903 8.397 1 U 0.431E+07 0.000E+00 e 0 0 0 0 120 115.131 1.515 8.402 1 U 0.382E+07 0.000E+00 e 0 0 0 0 121 115.131 0.460 8.394 1 U 0.551E+07 0.000E+00 e 0 0 0 0 123 120.358 0.422 7.348 1 U 0.200E+08 0.000E+00 e 0 0 0 0 124 120.358 2.567 7.349 1 U 0.623E+07 0.000E+00 e 0 0 0 0 125 120.358 2.741 7.347 1 U 0.609E+07 0.000E+00 e 0 0 0 0 126 120.358 8.393 7.350 1 U 0.652E+07 0.000E+00 e 0 0 0 0 127 118.631 8.376 8.015 1 U 0.572E+07 0.000E+00 e 0 0 0 0 128 118.631 4.195 8.011 1 U 0.895E+07 0.000E+00 e 0 0 0 0 129 118.631 3.865 8.013 1 U 0.128E+08 0.000E+00 e 0 0 0 0 130 118.631 3.936 8.013 1 U 0.934E+07 0.000E+00 e 0 0 0 0 131 118.631 1.444 8.008 1 U 0.257E+08 0.000E+00 e 0 0 0 0 132 118.631 0.684 8.010 1 U 0.919E+07 0.000E+00 e 0 0 0 0 133 118.453 1.454 6.993 1 U 0.182E+08 0.000E+00 e 0 0 0 0 134 118.453 2.969 6.997 1 U 0.378E+07 0.000E+00 e 0 0 0 0 135 118.453 7.607 6.994 1 U 0.697E+07 0.000E+00 e 0 0 0 0 136 121.345 8.012 7.136 1 U 0.442E+07 0.000E+00 e 0 0 0 0 137 121.345 7.835 7.133 1 U 0.428E+07 0.000E+00 e 0 0 0 0 138 121.345 7.774 7.136 1 U 0.427E+07 0.000E+00 e 0 0 0 0 139 121.345 2.986 7.136 1 U 0.587E+07 0.000E+00 e 0 0 0 0 140 119.132 1.423 7.600 1 U 0.183E+08 0.000E+00 e 0 0 0 0 141 119.132 6.973 7.603 1 U 0.605E+07 0.000E+00 e 0 0 0 0 142 119.166 3.596 7.604 1 U 0.662E+07 0.000E+00 e 0 0 0 0 143 117.615 8.274 7.809 1 U 0.507E+07 0.000E+00 e 0 0 0 0 144 117.615 3.830 7.803 1 U 0.147E+08 0.000E+00 e 0 0 0 0 145 117.615 3.579 7.804 1 U 0.621E+07 0.000E+00 e 0 0 0 0 146 117.615 2.172 7.806 1 U 0.139E+08 0.000E+00 e 0 0 0 0 147 119.373 3.282 7.738 1 U 0.114E+08 0.000E+00 e 0 0 0 0 148 121.562 1.508 8.079 1 U 0.256E+08 0.000E+00 e 0 0 0 0 149 121.562 1.930 8.077 1 U 0.162E+08 0.000E+00 e 0 0 0 0 150 119.634 8.621 7.695 1 U 0.161E+08 0.000E+00 e 0 0 0 0 151 119.634 7.702 7.697 1 U 0.290E+09 0.000E+00 e 0 0 0 0 152 119.634 7.430 7.699 1 U 0.265E+08 0.000E+00 e 0 0 0 0 153 119.634 3.871 7.696 1 U 0.238E+08 0.000E+00 e 0 0 0 0 154 119.634 3.643 7.689 1 U 0.761E+07 0.000E+00 e 0 0 0 0 155 119.634 1.975 7.700 1 U 0.619E+08 0.000E+00 e 0 0 0 0 156 119.634 2.165 7.702 1 U 0.127E+08 0.000E+00 e 0 0 0 0 157 119.634 1.430 7.699 1 U 0.431E+07 0.000E+00 e 0 0 0 0 158 119.373 2.148 7.734 1 U 0.278E+08 0.000E+00 e 0 0 0 0 159 119.373 1.508 7.733 1 U 0.656E+07 0.000E+00 e 0 0 0 0 160 121.562 -0.095 8.075 1 U 0.431E+07 0.000E+00 e 0 0 0 0 161 118.835 1.444 8.276 1 U 0.756E+07 0.000E+00 e 0 0 0 0 162 118.835 1.644 8.280 1 U 0.520E+08 0.000E+00 e 0 0 0 0 163 118.835 0.551 8.277 1 U 0.126E+08 0.000E+00 e 0 0 0 0 164 117.279 1.501 7.490 1 U 0.209E+08 0.000E+00 e 0 0 0 0 165 117.279 1.324 7.490 1 U 0.660E+07 0.000E+00 e 0 0 0 0 166 117.279 3.442 7.493 1 U 0.417E+07 0.000E+00 e 0 0 0 0 167 117.279 3.848 7.494 1 U 0.136E+08 0.000E+00 e 0 0 0 0 168 114.301 8.288 7.586 1 U 0.457E+07 0.000E+00 e 0 0 0 0 169 114.301 4.678 7.584 1 U 0.796E+07 0.000E+00 e 0 0 0 0 170 114.301 1.467 7.585 1 U 0.381E+07 0.000E+00 e 0 0 0 0 171 126.521 1.682 7.169 1 U 0.583E+07 0.000E+00 e 0 0 0 0 172 126.521 2.816 7.166 1 U 0.531E+07 0.000E+00 e 0 0 0 0 173 126.521 3.647 7.167 1 U 0.422E+07 0.000E+00 e 0 0 0 0 174 111.258 7.038 7.032 1 U 0.148E+09 0.000E+00 e 0 0 0 0 175 111.258 7.041 6.755 1 U 0.623E+08 0.000E+00 e 0 0 0 0 176 111.258 6.759 6.757 1 U 0.157E+09 0.000E+00 e 0 0 0 0 177 111.258 6.762 7.032 1 U 0.100E+09 0.000E+00 e 0 0 0 0 178 111.258 7.290 7.032 1 U 0.329E+07 0.000E+00 e 0 0 0 0 179 111.258 7.297 6.745 1 U 0.688E+07 0.000E+00 e 0 0 0 0 180 111.258 8.574 7.031 1 U 0.313E+07 0.000E+00 e 0 0 0 0 181 111.258 2.342 6.756 1 U 0.487E+07 0.000E+00 e 0 0 0 0 182 111.258 2.360 7.028 1 U 0.114E+08 0.000E+00 e 0 0 0 0 183 111.258 3.510 7.028 1 U 0.398E+07 0.000E+00 e 0 0 0 0 184 111.258 3.129 7.034 1 U 0.387E+07 0.000E+00 e 0 0 0 0 185 112.075 7.394 6.631 1 U 0.149E+09 0.000E+00 e 0 0 0 0 186 112.075 7.377 7.381 1 U 0.327E+09 0.000E+00 e 0 0 0 0 187 112.075 6.635 7.385 1 U 0.129E+09 0.000E+00 e 0 0 0 0 188 112.075 6.638 6.629 1 U 0.335E+09 0.000E+00 e 0 0 0 0 189 112.075 2.928 7.376 1 U 0.899E+07 0.000E+00 e 0 0 0 0 190 112.075 2.581 7.376 1 U 0.600E+07 0.000E+00 e 0 0 0 0 191 112.075 0.694 7.373 1 U 0.531E+07 0.000E+00 e 0 0 0 0 192 111.856 7.287 7.287 1 U 0.346E+09 0.000E+00 e 0 0 0 0 193 111.856 6.749 7.287 1 U 0.134E+09 0.000E+00 e 0 0 0 0 194 111.638 6.755 6.742 1 U 0.271E+09 0.000E+00 e 0 0 0 0 195 111.638 2.193 7.285 1 U 0.949E+07 0.000E+00 e 0 0 0 0 196 111.125 6.721 6.384 1 U 0.840E+08 0.000E+00 e 0 0 0 0 197 111.125 6.408 6.388 1 U 0.144E+09 0.000E+00 e 0 0 0 0 198 111.125 6.728 6.699 1 U 0.829E+08 0.000E+00 e 0 0 0 0 199 111.125 6.401 6.701 1 U 0.687E+08 0.000E+00 e 0 0 0 0 200 111.125 2.615 6.699 1 U 0.534E+07 0.000E+00 e 0 0 0 0 201 111.125 2.615 6.390 1 U 0.255E+07 0.000E+00 e 0 0 0 0 202 111.125 1.512 6.701 1 U 0.397E+07 0.000E+00 e 0 0 0 0 203 111.125 1.518 6.390 1 U 0.253E+07 0.000E+00 e 0 0 0 0 204 115.575 8.390 7.945 1 U 0.695E+07 0.000E+00 e 0 0 0 0 205 115.575 8.410 6.933 1 U 0.228E+07 0.000E+00 e 0 0 0 0 206 115.575 8.233 6.935 1 U 0.391E+07 0.000E+00 e 0 0 0 0 207 115.575 7.954 6.940 1 U 0.128E+09 0.000E+00 e 0 0 0 0 208 115.575 7.954 7.948 1 U 0.179E+09 0.000E+00 e 0 0 0 0 209 115.575 6.953 7.945 1 U 0.102E+09 0.000E+00 e 0 0 0 0 210 115.575 6.953 6.940 1 U 0.186E+09 0.000E+00 e 0 0 0 0 211 115.575 4.644 6.935 1 U 0.735E+07 0.000E+00 e 0 0 0 0 212 115.575 4.637 7.950 1 U 0.708E+07 0.000E+00 e 0 0 0 0 213 115.575 2.765 6.935 1 U 0.788E+07 0.000E+00 e 0 0 0 0 214 115.575 2.506 6.942 1 U 0.580E+07 0.000E+00 e 0 0 0 0 215 115.575 2.758 7.950 1 U 0.155E+08 0.000E+00 e 0 0 0 0 216 115.575 2.526 7.950 1 U 0.793E+07 0.000E+00 e 0 0 0 0 217 115.575 2.036 6.938 1 U 0.462E+07 0.000E+00 e 0 0 0 0 218 115.575 2.125 6.938 1 U 0.290E+07 0.000E+00 e 0 0 0 0 219 123.286 4.441 8.194 1 U 0.355E+08 0.000E+00 e 0 0 0 0 220 123.286 2.613 8.194 1 U 0.910E+07 0.000E+00 e 0 0 0 0 221 123.286 2.697 8.194 1 U 0.912E+07 0.000E+00 e 0 0 0 0 222 123.286 3.500 8.194 1 U 0.175E+08 0.000E+00 e 0 0 0 0 223 119.254 3.500 8.305 1 U 0.561E+07 0.000E+00 e 0 0 0 0 224 123.286 1.930 8.194 1 U 0.291E+08 0.000E+00 e 0 0 0 0 225 119.254 1.930 8.305 1 U 0.681E+08 0.000E+00 e 0 0 0 0 226 123.286 0.877 8.194 1 U 0.272E+08 0.000E+00 e 0 0 0 0 227 119.254 0.877 8.305 1 U 0.716E+07 0.000E+00 e 0 0 0 0 228 123.286 0.768 8.194 1 U 0.900E+07 0.000E+00 e 0 0 0 0 229 119.254 0.768 8.305 1 U 0.930E+07 0.000E+00 e 0 0 0 0 230 123.286 8.194 8.194 1 U 0.179E+09 0.000E+00 e 0 0 0 0 231 119.254 8.194 8.305 1 U 0.223E+08 0.000E+00 e 0 0 0 0 232 119.254 3.717 8.305 1 U 0.220E+08 0.000E+00 e 0 0 0 0 233 120.039 3.717 7.654 1 U 0.489E+07 0.000E+00 e 0 0 0 0 234 119.254 1.884 8.305 1 U 0.596E+08 0.000E+00 e 0 0 0 0 235 120.039 1.884 7.654 1 U 0.307E+08 0.000E+00 e 0 0 0 0 236 120.039 1.928 7.654 1 U 0.354E+08 0.000E+00 e 0 0 0 0 237 119.254 2.073 8.305 1 U 0.121E+08 0.000E+00 e 0 0 0 0 238 119.254 2.191 8.305 1 U 0.158E+08 0.000E+00 e 0 0 0 0 239 120.039 2.191 7.654 1 U 0.836E+07 0.000E+00 e 0 0 0 0 240 123.286 8.305 8.194 1 U 0.219E+08 0.000E+00 e 0 0 0 0 241 119.254 8.305 8.305 1 U 0.300E+09 0.000E+00 e 0 0 0 0 242 120.039 8.305 7.654 1 U 0.158E+08 0.000E+00 e 0 0 0 0 243 120.039 3.997 7.654 1 U 0.952E+07 0.000E+00 e 0 0 0 0 244 119.380 3.997 7.864 1 U 0.769E+07 0.000E+00 e 0 0 0 0 245 119.380 1.897 7.864 1 U 0.156E+08 0.000E+00 e 0 0 0 0 246 120.039 1.970 7.654 1 U 0.237E+08 0.000E+00 e 0 0 0 0 247 119.380 1.970 7.864 1 U 0.204E+08 0.000E+00 e 0 0 0 0 248 120.039 2.139 7.654 1 U 0.895E+07 0.000E+00 e 0 0 0 0 249 119.380 2.139 7.864 1 U 0.195E+08 0.000E+00 e 0 0 0 0 250 119.380 2.217 7.864 1 U 0.113E+08 0.000E+00 e 0 0 0 0 251 119.254 7.654 8.305 1 U 0.240E+08 0.000E+00 e 0 0 0 0 252 120.039 7.654 7.654 1 U 0.147E+09 0.000E+00 e 0 0 0 0 253 119.380 7.654 7.864 1 U 0.261E+08 0.000E+00 e 0 0 0 0 254 119.380 3.877 7.864 1 U 0.193E+08 0.000E+00 e 0 0 0 0 255 118.745 2.159 8.229 1 U 0.963E+07 0.000E+00 e 0 0 0 0 256 119.380 2.016 7.864 1 U 0.193E+08 0.000E+00 e 0 0 0 0 257 118.745 2.016 8.229 1 U 0.718E+07 0.000E+00 e 0 0 0 0 258 119.380 2.343 7.864 1 U 0.285E+08 0.000E+00 e 0 0 0 0 259 118.745 2.343 8.229 1 U 0.637E+07 0.000E+00 e 0 0 0 0 260 120.039 7.864 7.654 1 U 0.148E+08 0.000E+00 e 0 0 0 0 261 119.380 7.864 7.864 1 U 0.239E+09 0.000E+00 e 0 0 0 0 262 118.745 7.864 8.229 1 U 0.210E+08 0.000E+00 e 0 0 0 0 263 118.745 3.127 8.229 1 U 0.136E+08 0.000E+00 e 0 0 0 0 264 118.791 3.127 7.701 1 U 0.372E+07 0.000E+00 e 0 0 0 0 265 118.745 0.531 8.229 1 U 0.193E+08 0.000E+00 e 0 0 0 0 266 118.791 0.531 7.701 1 U 0.547E+07 0.000E+00 e 0 0 0 0 267 118.745 0.605 8.229 1 U 0.170E+08 0.000E+00 e 0 0 0 0 268 118.791 0.605 7.701 1 U 0.146E+08 0.000E+00 e 0 0 0 0 269 119.380 8.229 7.864 1 U 0.198E+08 0.000E+00 e 0 0 0 0 270 118.745 8.229 8.229 1 U 0.154E+09 0.000E+00 e 0 0 0 0 271 118.791 8.229 7.701 1 U 0.189E+08 0.000E+00 e 0 0 0 0 272 118.791 3.887 7.701 1 U 0.218E+08 0.000E+00 e 0 0 0 0 273 118.485 3.887 7.958 1 U 0.297E+08 0.000E+00 e 0 0 0 0 274 118.791 1.773 7.701 1 U 0.401E+08 0.000E+00 e 0 0 0 0 275 118.485 1.773 7.958 1 U 0.395E+08 0.000E+00 e 0 0 0 0 276 118.745 7.701 8.229 1 U 0.169E+08 0.000E+00 e 0 0 0 0 277 118.791 7.701 7.701 1 U 0.239E+09 0.000E+00 e 0 0 0 0 278 118.485 7.701 7.958 1 U 0.165E+08 0.000E+00 e 0 0 0 0 279 120.562 3.874 7.822 1 U 0.153E+08 0.000E+00 e 0 0 0 0 280 120.562 1.776 7.822 1 U 0.146E+08 0.000E+00 e 0 0 0 0 281 118.791 7.958 7.701 1 U 0.185E+08 0.000E+00 e 0 0 0 0 282 118.485 7.958 7.958 1 U 0.199E+09 0.000E+00 e 0 0 0 0 283 120.562 7.958 7.822 1 U 0.235E+08 0.000E+00 e 0 0 0 0 284 120.562 3.796 7.822 1 U 0.202E+08 0.000E+00 e 0 0 0 0 285 120.562 0.766 7.822 1 U 0.177E+08 0.000E+00 e 0 0 0 0 286 118.519 0.766 8.609 1 U 0.705E+07 0.000E+00 e 0 0 0 0 287 120.562 1.534 7.822 1 U 0.280E+08 0.000E+00 e 0 0 0 0 288 118.519 1.534 8.609 1 U 0.974E+07 0.000E+00 e 0 0 0 0 289 120.562 -0.110 7.822 1 U 0.843E+07 0.000E+00 e 0 0 0 0 290 120.562 0.238 7.822 1 U 0.788E+07 0.000E+00 e 0 0 0 0 291 120.562 1.298 7.822 1 U 0.280E+08 0.000E+00 e 0 0 0 0 292 118.485 7.822 7.958 1 U 0.186E+08 0.000E+00 e 0 0 0 0 293 120.562 7.822 7.822 1 U 0.201E+09 0.000E+00 e 0 0 0 0 294 118.519 7.822 8.609 1 U 0.195E+08 0.000E+00 e 0 0 0 0 295 118.519 3.652 8.609 1 U 0.131E+08 0.000E+00 e 0 0 0 0 296 118.519 1.681 8.609 1 U 0.128E+08 0.000E+00 e 0 0 0 0 297 118.519 2.019 8.609 1 U 0.247E+08 0.000E+00 e 0 0 0 0 298 118.519 1.901 8.609 1 U 0.114E+08 0.000E+00 e 0 0 0 0 299 118.519 2.336 8.609 1 U 0.166E+08 0.000E+00 e 0 0 0 0 300 120.562 8.609 7.822 1 U 0.208E+08 0.000E+00 e 0 0 0 0 301 118.519 8.609 8.609 1 U 0.185E+09 0.000E+00 e 0 0 0 0 302 117.942 3.852 7.427 1 U 0.101E+08 0.000E+00 e 0 0 0 0 303 117.942 1.975 7.427 1 U 0.190E+08 0.000E+00 e 0 0 0 0 304 117.942 2.168 7.427 1 U 0.297E+08 0.000E+00 e 0 0 0 0 305 117.942 3.602 7.427 1 U 0.198E+08 0.000E+00 e 0 0 0 0 306 120.664 3.626 7.693 1 U 0.136E+08 0.000E+00 e 0 0 0 0 307 120.664 2.163 7.699 1 U 0.184E+08 0.000E+00 e 0 0 0 0 308 117.942 0.791 7.427 1 U 0.132E+08 0.000E+00 e 0 0 0 0 309 120.664 0.791 7.699 1 U 0.100E+08 0.000E+00 e 0 0 0 0 310 117.942 0.927 7.427 1 U 0.352E+08 0.000E+00 e 0 0 0 0 311 120.664 0.927 7.699 1 U 0.124E+08 0.000E+00 e 0 0 0 0 312 117.942 7.427 7.427 1 U 0.220E+09 0.000E+00 e 0 0 0 0 313 120.664 7.427 7.699 1 U 0.324E+08 0.000E+00 e 0 0 0 0 314 120.664 3.970 7.699 1 U 0.209E+08 0.000E+00 e 0 0 0 0 315 118.723 3.970 7.524 1 U 0.566E+07 0.000E+00 e 0 0 0 0 316 120.664 1.466 7.699 1 U 0.270E+08 0.000E+00 e 0 0 0 0 317 118.723 1.466 7.524 1 U 0.201E+08 0.000E+00 e 0 0 0 0 318 120.664 1.613 7.699 1 U 0.304E+08 0.000E+00 e 0 0 0 0 319 118.723 1.613 7.524 1 U 0.124E+08 0.000E+00 e 0 0 0 0 320 120.664 0.696 7.699 1 U 0.650E+07 0.000E+00 e 0 0 0 0 321 118.723 0.696 7.524 1 U 0.362E+07 0.000E+00 e 0 0 0 0 322 117.942 7.699 7.427 1 U 0.450E+08 0.000E+00 e 0 0 0 0 323 120.664 7.699 7.699 1 U 0.285E+09 0.000E+00 e 0 0 0 0 324 118.723 7.699 7.524 1 U 0.197E+08 0.000E+00 e 0 0 0 0 325 118.723 3.880 7.524 1 U 0.273E+08 0.000E+00 e 0 0 0 0 326 116.161 3.880 7.419 1 U 0.889E+07 0.000E+00 e 0 0 0 0 327 118.723 1.771 7.524 1 U 0.371E+08 0.000E+00 e 0 0 0 0 328 116.161 1.771 7.419 1 U 0.179E+08 0.000E+00 e 0 0 0 0 329 120.664 7.524 7.699 1 U 0.187E+08 0.000E+00 e 0 0 0 0 330 118.723 7.524 7.524 1 U 0.223E+09 0.000E+00 e 0 0 0 0 331 116.161 7.524 7.419 1 U 0.222E+08 0.000E+00 e 0 0 0 0 332 116.161 4.102 7.419 1 U 0.135E+08 0.000E+00 e 0 0 0 0 333 116.646 4.102 7.908 1 U 0.150E+08 0.000E+00 e 0 0 0 0 334 116.161 1.565 7.419 1 U 0.193E+08 0.000E+00 e 0 0 0 0 335 116.646 1.565 7.908 1 U 0.892E+07 0.000E+00 e 0 0 0 0 336 116.161 1.811 7.419 1 U 0.170E+08 0.000E+00 e 0 0 0 0 337 116.646 1.811 7.908 1 U 0.609E+07 0.000E+00 e 0 0 0 0 338 118.723 7.419 7.524 1 U 0.196E+08 0.000E+00 e 0 0 0 0 339 116.161 7.419 7.419 1 U 0.190E+09 0.000E+00 e 0 0 0 0 340 116.646 7.419 7.908 1 U 0.507E+08 0.000E+00 e 0 0 0 0 341 116.646 4.322 7.908 1 U 0.785E+08 0.000E+00 e 0 0 0 0 342 117.147 4.322 7.386 1 U 0.337E+08 0.000E+00 e 0 0 0 0 343 116.646 2.577 7.908 1 U 0.138E+08 0.000E+00 e 0 0 0 0 344 116.646 2.925 7.908 1 U 0.637E+07 0.000E+00 e 0 0 0 0 345 116.161 7.908 7.419 1 U 0.233E+08 0.000E+00 e 0 0 0 0 346 116.646 7.908 7.908 1 U 0.271E+09 0.000E+00 e 0 0 0 0 347 117.147 7.908 7.386 1 U 0.206E+08 0.000E+00 e 0 0 0 0 348 117.147 4.603 7.386 1 U 0.120E+08 0.000E+00 e 0 0 0 0 349 117.147 1.605 7.386 1 U 0.266E+08 0.000E+00 e 0 0 0 0 350 117.147 1.986 7.386 1 U 0.713E+07 0.000E+00 e 0 0 0 0 351 117.147 2.185 7.386 1 U 0.135E+08 0.000E+00 e 0 0 0 0 352 116.646 7.386 7.908 1 U 0.386E+08 0.000E+00 e 0 0 0 0 353 117.147 7.386 7.386 1 U 0.301E+09 0.000E+00 e 0 0 0 0 354 117.702 4.580 8.269 1 U 0.360E+08 0.000E+00 e 0 0 0 0 355 117.702 1.581 8.269 1 U 0.530E+07 0.000E+00 e 0 0 0 0 356 117.702 1.926 8.269 1 U 0.222E+08 0.000E+00 e 0 0 0 0 357 117.702 1.754 8.269 1 U 0.570E+07 0.000E+00 e 0 0 0 0 358 117.702 4.401 8.269 1 U 0.991E+07 0.000E+00 e 0 0 0 0 359 124.305 4.401 8.603 1 U 0.612E+08 0.000E+00 e 0 0 0 0 360 124.305 1.931 8.603 1 U 0.657E+07 0.000E+00 e 0 0 0 0 361 117.702 0.907 8.269 1 U 0.849E+07 0.000E+00 e 0 0 0 0 362 124.305 0.907 8.603 1 U 0.281E+08 0.000E+00 e 0 0 0 0 363 117.702 0.750 8.269 1 U 0.155E+08 0.000E+00 e 0 0 0 0 364 117.702 8.269 8.269 1 U 0.207E+09 0.000E+00 e 0 0 0 0 365 124.305 5.094 8.603 1 U 0.103E+08 0.000E+00 e 0 0 0 0 366 128.802 5.094 9.236 1 U 0.456E+08 0.000E+00 e 0 0 0 0 367 124.305 3.767 8.603 1 U 0.311E+08 0.000E+00 e 0 0 0 0 368 128.802 3.767 9.236 1 U 0.615E+07 0.000E+00 e 0 0 0 0 369 124.305 0.812 8.603 1 U 0.156E+08 0.000E+00 e 0 0 0 0 370 128.802 0.812 9.236 1 U 0.132E+08 0.000E+00 e 0 0 0 0 371 117.702 8.603 8.269 1 U 0.256E+07 0.000E+00 e 0 0 0 0 372 124.305 8.603 8.603 1 U 0.252E+09 0.000E+00 e 0 0 0 0 373 128.802 8.603 9.236 1 U 0.392E+07 0.000E+00 e 0 0 0 0 374 128.802 4.717 9.236 1 U 0.453E+07 0.000E+00 e 0 0 0 0 375 128.802 2.852 9.236 1 U 0.923E+07 0.000E+00 e 0 0 0 0 376 128.802 3.156 9.236 1 U 0.109E+08 0.000E+00 e 0 0 0 0 377 124.305 9.236 8.603 1 U 0.533E+07 0.000E+00 e 0 0 0 0 378 128.802 9.236 9.236 1 U 0.134E+09 0.000E+00 e 0 0 0 0 379 103.053 3.794 8.343 1 U 0.120E+08 0.000E+00 e 0 0 0 0 380 103.053 1.512 8.343 1 U 0.296E+07 0.000E+00 e 0 0 0 0 381 103.053 3.307 8.343 1 U 0.160E+08 0.000E+00 e 0 0 0 0 382 118.576 3.307 7.578 1 U 0.120E+08 0.000E+00 e 0 0 0 0 383 103.053 3.929 8.343 1 U 0.117E+08 0.000E+00 e 0 0 0 0 384 118.576 3.929 7.578 1 U 0.105E+08 0.000E+00 e 0 0 0 0 385 103.053 8.343 8.343 1 U 0.710E+08 0.000E+00 e 0 0 0 0 386 118.576 8.343 7.578 1 U 0.162E+08 0.000E+00 e 0 0 0 0 387 118.576 4.230 7.578 1 U 0.197E+08 0.000E+00 e 0 0 0 0 388 123.197 4.230 8.617 1 U 0.805E+08 0.000E+00 e 0 0 0 0 389 118.576 3.765 7.578 1 U 0.438E+08 0.000E+00 e 0 0 0 0 390 123.197 3.765 8.617 1 U 0.860E+07 0.000E+00 e 0 0 0 0 391 118.576 0.421 7.578 1 U 0.113E+08 0.000E+00 e 0 0 0 0 392 123.197 0.421 8.617 1 U 0.313E+08 0.000E+00 e 0 0 0 0 393 103.053 7.578 8.343 1 U 0.995E+07 0.000E+00 e 0 0 0 0 394 118.576 7.578 7.578 1 U 0.368E+09 0.000E+00 e 0 0 0 0 395 123.197 4.638 8.617 1 U 0.125E+08 0.000E+00 e 0 0 0 0 396 128.786 4.638 9.500 1 U 0.276E+08 0.000E+00 e 0 0 0 0 397 123.197 3.688 8.617 1 U 0.433E+08 0.000E+00 e 0 0 0 0 398 128.786 3.688 9.500 1 U 0.435E+07 0.000E+00 e 0 0 0 0 399 123.197 0.831 8.617 1 U 0.993E+07 0.000E+00 e 0 0 0 0 400 128.786 0.831 9.500 1 U 0.152E+08 0.000E+00 e 0 0 0 0 401 118.576 8.617 7.578 1 U 0.271E+07 0.000E+00 e 0 0 0 0 402 123.197 8.617 8.617 1 U 0.274E+09 0.000E+00 e 0 0 0 0 403 128.786 4.463 9.500 1 U 0.112E+08 0.000E+00 e 0 0 0 0 404 110.984 4.463 8.526 1 U 0.357E+08 0.000E+00 e 0 0 0 0 405 128.786 2.559 9.500 1 U 0.642E+07 0.000E+00 e 0 0 0 0 406 110.984 2.559 8.526 1 U 0.935E+07 0.000E+00 e 0 0 0 0 407 128.786 2.714 9.500 1 U 0.148E+08 0.000E+00 e 0 0 0 0 408 123.197 9.503 8.624 1 U 0.301E+07 0.000E+00 e 0 0 0 0 409 128.786 9.500 9.500 1 U 0.106E+09 0.000E+00 e 0 0 0 0 410 110.984 4.214 8.526 1 U 0.754E+07 0.000E+00 e 0 0 0 0 411 110.984 4.085 8.526 1 U 0.339E+07 0.000E+00 e 0 0 0 0 412 110.984 0.931 8.526 1 U 0.818E+07 0.000E+00 e 0 0 0 0 413 124.478 0.924 7.911 1 U 0.321E+07 0.000E+00 e 0 0 0 0 414 110.984 8.526 8.526 1 U 0.743E+08 0.000E+00 e 0 0 0 0 415 124.478 8.526 7.913 1 U 0.315E+08 0.000E+00 e 0 0 0 0 416 124.478 4.924 7.913 1 U 0.993E+07 0.000E+00 e 0 0 0 0 417 124.478 2.578 7.913 1 U 0.223E+08 0.000E+00 e 0 0 0 0 418 124.478 2.788 7.913 1 U 0.201E+08 0.000E+00 e 0 0 0 0 419 110.984 7.913 8.526 1 U 0.274E+08 0.000E+00 e 0 0 0 0 420 124.478 7.913 7.913 1 U 0.174E+09 0.000E+00 e 0 0 0 0 421 115.131 3.946 8.396 1 U 0.152E+08 0.000E+00 e 0 0 0 0 422 115.131 1.769 8.396 1 U 0.143E+08 0.000E+00 e 0 0 0 0 423 115.131 2.249 8.396 1 U 0.963E+07 0.000E+00 e 0 0 0 0 424 115.131 3.869 8.396 1 U 0.227E+08 0.000E+00 e 0 0 0 0 425 115.131 1.888 8.396 1 U 0.203E+08 0.000E+00 e 0 0 0 0 426 115.131 4.185 8.396 1 U 0.220E+08 0.000E+00 e 0 0 0 0 427 119.166 4.188 7.596 1 U 0.677E+07 0.000E+00 e 0 0 0 0 428 115.131 2.513 8.396 1 U 0.264E+08 0.000E+00 e 0 0 0 0 429 119.166 2.533 7.591 1 U 0.149E+08 0.000E+00 e 0 0 0 0 430 115.131 2.746 8.396 1 U 0.496E+08 0.000E+00 e 0 0 0 0 431 119.166 2.749 7.599 1 U 0.233E+08 0.000E+00 e 0 0 0 0 432 115.131 8.396 8.396 1 U 0.354E+09 0.000E+00 e 0 0 0 0 433 119.166 8.399 7.601 1 U 0.409E+08 0.000E+00 e 0 0 0 0 434 119.166 3.940 7.603 1 U 0.207E+08 0.000E+00 e 0 0 0 0 435 120.358 3.940 7.347 1 U 0.153E+08 0.000E+00 e 0 0 0 0 436 119.166 2.176 7.601 1 U 0.392E+08 0.000E+00 e 0 0 0 0 437 120.358 2.176 7.347 1 U 0.130E+08 0.000E+00 e 0 0 0 0 438 119.166 2.097 7.597 1 U 0.269E+08 0.000E+00 e 0 0 0 0 439 120.358 2.090 7.347 1 U 0.107E+08 0.000E+00 e 0 0 0 0 440 119.166 2.397 7.602 1 U 0.977E+07 0.000E+00 e 0 0 0 0 441 115.131 7.579 8.396 1 U 0.432E+08 0.000E+00 e 0 0 0 0 442 119.166 7.576 7.597 1 U 0.321E+09 0.000E+00 e 0 0 0 0 443 120.358 7.579 7.347 1 U 0.328E+08 0.000E+00 e 0 0 0 0 444 120.358 2.984 7.347 1 U 0.165E+08 0.000E+00 e 0 0 0 0 445 118.631 2.984 8.012 1 U 0.609E+07 0.000E+00 e 0 0 0 0 446 120.358 1.629 7.347 1 U 0.328E+08 0.000E+00 e 0 0 0 0 447 118.631 1.629 8.012 1 U 0.493E+08 0.000E+00 e 0 0 0 0 448 120.358 0.510 7.347 1 U 0.207E+08 0.000E+00 e 0 0 0 0 449 118.631 0.510 8.012 1 U 0.102E+08 0.000E+00 e 0 0 0 0 450 119.166 7.354 7.597 1 U 0.407E+08 0.000E+00 e 0 0 0 0 451 120.358 7.347 7.347 1 U 0.173E+09 0.000E+00 e 0 0 0 0 452 118.631 7.347 8.012 1 U 0.197E+08 0.000E+00 e 0 0 0 0 453 118.631 3.591 8.012 1 U 0.164E+08 0.000E+00 e 0 0 0 0 454 118.453 3.591 6.992 1 U 0.604E+07 0.000E+00 e 0 0 0 0 455 118.631 1.664 8.012 1 U 0.522E+08 0.000E+00 e 0 0 0 0 456 118.453 1.664 6.992 1 U 0.203E+08 0.000E+00 e 0 0 0 0 457 120.358 8.012 7.347 1 U 0.189E+08 0.000E+00 e 0 0 0 0 458 118.631 8.012 8.012 1 U 0.239E+09 0.000E+00 e 0 0 0 0 459 118.453 8.012 6.992 1 U 0.168E+08 0.000E+00 e 0 0 0 0 460 118.453 3.827 6.992 1 U 0.188E+08 0.000E+00 e 0 0 0 0 461 121.345 3.827 7.138 1 U 0.542E+07 0.000E+00 e 0 0 0 0 462 118.453 1.742 6.992 1 U 0.460E+08 0.000E+00 e 0 0 0 0 463 121.345 1.742 7.138 1 U 0.220E+08 0.000E+00 e 0 0 0 0 464 121.345 2.754 7.138 1 U 0.357E+07 0.000E+00 e 0 0 0 0 465 118.631 6.992 8.012 1 U 0.119E+08 0.000E+00 e 0 0 0 0 466 118.453 6.992 6.992 1 U 0.212E+09 0.000E+00 e 0 0 0 0 467 121.345 6.992 7.138 1 U 0.187E+08 0.000E+00 e 0 0 0 0 468 121.345 3.261 7.138 1 U 0.147E+08 0.000E+00 e 0 0 0 0 469 119.132 3.261 7.599 1 U 0.277E+07 0.000E+00 e 0 0 0 0 470 121.345 1.680 7.138 1 U 0.367E+08 0.000E+00 e 0 0 0 0 471 119.132 1.680 7.599 1 U 0.263E+08 0.000E+00 e 0 0 0 0 472 121.345 0.423 7.138 1 U 0.318E+08 0.000E+00 e 0 0 0 0 473 119.132 0.423 7.599 1 U 0.123E+08 0.000E+00 e 0 0 0 0 474 121.345 -0.106 7.138 1 U 0.711E+07 0.000E+00 e 0 0 0 0 475 119.132 -0.106 7.599 1 U 0.778E+07 0.000E+00 e 0 0 0 0 476 118.453 7.138 6.992 1 U 0.224E+08 0.000E+00 e 0 0 0 0 477 121.345 7.138 7.138 1 U 0.171E+09 0.000E+00 e 0 0 0 0 478 119.132 7.138 7.599 1 U 0.137E+08 0.000E+00 e 0 0 0 0 479 119.132 3.035 7.599 1 U 0.101E+08 0.000E+00 e 0 0 0 0 480 117.615 3.035 7.804 1 U 0.595E+07 0.000E+00 e 0 0 0 0 481 119.132 1.645 7.599 1 U 0.294E+08 0.000E+00 e 0 0 0 0 482 117.615 1.645 7.804 1 U 0.320E+08 0.000E+00 e 0 0 0 0 483 119.132 0.493 7.599 1 U 0.212E+08 0.000E+00 e 0 0 0 0 484 117.615 0.493 7.804 1 U 0.748E+07 0.000E+00 e 0 0 0 0 485 119.132 0.649 7.599 1 U 0.887E+07 0.000E+00 e 0 0 0 0 486 117.615 0.649 7.804 1 U 0.132E+08 0.000E+00 e 0 0 0 0 487 121.345 7.599 7.138 1 U 0.178E+08 0.000E+00 e 0 0 0 0 488 119.132 7.599 7.599 1 U 0.310E+09 0.000E+00 e 0 0 0 0 489 117.615 7.599 7.804 1 U 0.191E+08 0.000E+00 e 0 0 0 0 490 117.615 3.739 7.804 1 U 0.264E+08 0.000E+00 e 0 0 0 0 491 119.373 3.739 7.732 1 U 0.863E+07 0.000E+00 e 0 0 0 0 492 117.615 1.872 7.804 1 U 0.518E+08 0.000E+00 e 0 0 0 0 493 119.373 1.872 7.732 1 U 0.400E+08 0.000E+00 e 0 0 0 0 494 117.615 2.088 7.804 1 U 0.179E+08 0.000E+00 e 0 0 0 0 495 119.373 2.088 7.732 1 U 0.222E+08 0.000E+00 e 0 0 0 0 496 119.132 7.804 7.599 1 U 0.128E+08 0.000E+00 e 0 0 0 0 497 117.615 7.804 7.804 1 U 0.275E+09 0.000E+00 e 0 0 0 0 498 119.373 7.804 7.732 1 U 0.547E+08 0.000E+00 e 0 0 0 0 499 119.373 3.831 7.732 1 U 0.397E+08 0.000E+00 e 0 0 0 0 500 121.562 3.831 8.078 1 U 0.201E+08 0.000E+00 e 0 0 0 0 501 119.373 1.975 7.732 1 U 0.487E+08 0.000E+00 e 0 0 0 0 502 121.562 1.975 8.078 1 U 0.124E+08 0.000E+00 e 0 0 0 0 503 121.562 2.112 8.078 1 U 0.249E+07 0.000E+00 e 0 0 0 0 504 117.615 7.732 7.804 1 U 0.494E+08 0.000E+00 e 0 0 0 0 505 119.373 7.732 7.732 1 U 0.361E+09 0.000E+00 e 0 0 0 0 506 121.562 7.732 8.078 1 U 0.229E+08 0.000E+00 e 0 0 0 0 507 118.835 3.858 8.277 1 U 0.116E+08 0.000E+00 e 0 0 0 0 508 121.562 1.040 8.078 1 U 0.127E+08 0.000E+00 e 0 0 0 0 509 118.835 1.040 8.277 1 U 0.105E+08 0.000E+00 e 0 0 0 0 510 121.562 1.725 8.078 1 U 0.264E+08 0.000E+00 e 0 0 0 0 511 118.835 1.725 8.277 1 U 0.461E+08 0.000E+00 e 0 0 0 0 512 121.562 0.355 8.078 1 U 0.897E+07 0.000E+00 e 0 0 0 0 513 121.562 0.722 8.078 1 U 0.988E+07 0.000E+00 e 0 0 0 0 514 118.835 0.722 8.277 1 U 0.503E+07 0.000E+00 e 0 0 0 0 515 119.373 8.078 7.732 1 U 0.345E+08 0.000E+00 e 0 0 0 0 516 121.562 8.078 8.078 1 U 0.194E+09 0.000E+00 e 0 0 0 0 517 118.835 8.078 8.277 1 U 0.208E+08 0.000E+00 e 0 0 0 0 518 118.835 3.657 8.277 1 U 0.232E+08 0.000E+00 e 0 0 0 0 519 117.279 3.657 7.488 1 U 0.106E+08 0.000E+00 e 0 0 0 0 520 118.835 1.691 8.277 1 U 0.579E+08 0.000E+00 e 0 0 0 0 521 117.279 1.691 7.488 1 U 0.273E+08 0.000E+00 e 0 0 0 0 522 118.835 2.971 8.278 1 U 0.378E+07 0.000E+00 e 0 0 0 0 523 121.562 8.277 8.078 1 U 0.217E+08 0.000E+00 e 0 0 0 0 524 118.835 8.277 8.277 1 U 0.286E+09 0.000E+00 e 0 0 0 0 525 117.279 8.277 7.488 1 U 0.150E+08 0.000E+00 e 0 0 0 0 526 117.279 4.005 7.488 1 U 0.225E+08 0.000E+00 e 0 0 0 0 527 114.301 4.005 7.585 1 U 0.155E+08 0.000E+00 e 0 0 0 0 528 117.279 1.752 7.488 1 U 0.433E+08 0.000E+00 e 0 0 0 0 529 114.301 1.752 7.585 1 U 0.150E+08 0.000E+00 e 0 0 0 0 530 118.835 7.488 8.277 1 U 0.238E+08 0.000E+00 e 0 0 0 0 531 117.279 7.488 7.488 1 U 0.326E+09 0.000E+00 e 0 0 0 0 532 114.301 7.488 7.585 1 U 0.343E+08 0.000E+00 e 0 0 0 0 533 114.301 4.338 7.585 1 U 0.204E+08 0.000E+00 e 0 0 0 0 534 126.521 4.338 7.168 1 U 0.161E+08 0.000E+00 e 0 0 0 0 535 114.301 3.841 7.585 1 U 0.280E+08 0.000E+00 e 0 0 0 0 536 126.521 3.841 7.168 1 U 0.530E+07 0.000E+00 e 0 0 0 0 537 114.301 3.884 7.585 1 U 0.374E+08 0.000E+00 e 0 0 0 0 538 126.521 3.884 7.168 1 U 0.716E+07 0.000E+00 e 0 0 0 0 539 117.279 7.585 7.488 1 U 0.326E+08 0.000E+00 e 0 0 0 0 540 114.301 7.585 7.585 1 U 0.384E+09 0.000E+00 e 0 0 0 0 541 126.521 7.585 7.168 1 U 0.392E+08 0.000E+00 e 0 0 0 0 542 126.521 3.982 7.168 1 U 0.308E+08 0.000E+00 e 0 0 0 0 543 126.521 1.824 7.168 1 U 0.332E+08 0.000E+00 e 0 0 0 0 544 126.521 1.925 7.168 1 U 0.164E+08 0.000E+00 e 0 0 0 0 545 126.521 2.263 7.168 1 U 0.954E+07 0.000E+00 e 0 0 0 0 546 126.521 2.413 7.168 1 U 0.172E+08 0.000E+00 e 0 0 0 0 547 114.301 7.168 7.585 1 U 0.348E+08 0.000E+00 e 0 0 0 0 548 126.521 7.168 7.168 1 U 0.510E+09 0.000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _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.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 HN . 'not observed' 2270.660 Hz 117.5 . . 30249 1 2 H 1 H . 'not observed' 9613.220 Hz 4.71 . . 30249 1 3 H 1 HN . 'not observed' 4010.882 Hz 7.71 . . 30249 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 30249 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 40.709 1.912 2.609 1 U 0.724E+07 0.000E+00 e 0 0 0 0 2 40.709 1.924 2.700 1 U 0.727E+07 0.000E+00 e 0 0 0 0 5 40.709 0.762 2.710 1 U 0.732E+07 0.000E+00 e 0 0 0 0 6 40.709 0.758 2.566 1 U 0.651E+07 0.000E+00 e 0 0 0 0 7 40.709 0.478 2.566 1 U 0.758E+07 0.000E+00 e 0 0 0 0 8 40.709 0.411 2.564 1 U 0.758E+07 0.000E+00 e 0 0 0 0 9 40.709 0.458 2.714 1 U 0.837E+07 0.000E+00 e 0 0 0 0 10 40.709 0.383 2.716 1 U 0.640E+07 0.000E+00 e 0 0 0 0 11 40.709 6.961 2.558 1 U 0.106E+08 0.000E+00 e 0 0 0 0 12 40.709 6.973 2.708 1 U 0.101E+08 0.000E+00 e 0 0 0 0 13 40.709 8.348 2.611 1 U 0.967E+07 0.000E+00 e 0 0 0 0 14 40.709 8.344 2.692 1 U 0.754E+07 0.000E+00 e 0 0 0 0 15 40.709 7.898 2.702 1 U 0.435E+07 0.000E+00 e 0 0 0 0 16 66.562 2.335 3.504 1 U 0.806E+07 0.000E+00 e 0 0 0 0 17 66.562 2.145 3.504 1 U 0.902E+07 0.000E+00 e 0 0 0 0 18 66.562 7.870 3.496 1 U 0.947E+07 0.000E+00 e 0 0 0 0 19 31.561 4.425 1.928 1 U 0.411E+07 0.000E+00 e 0 0 0 0 20 22.608 0.525 0.883 1 U 0.628E+07 0.000E+00 e 0 0 0 0 21 22.608 3.864 0.873 1 U 0.692E+07 0.000E+00 e 0 0 0 0 22 22.608 4.433 0.877 1 U 0.423E+07 0.000E+00 e 0 0 0 0 23 21.845 3.868 0.764 1 U 0.792E+07 0.000E+00 e 0 0 0 0 24 21.845 3.698 0.772 1 U 0.980E+07 0.000E+00 e 0 0 0 0 25 21.845 1.679 0.768 1 U 0.142E+08 0.000E+00 e 0 0 0 0 26 21.845 0.517 0.772 1 U 0.309E+08 0.000E+00 e 0 0 0 0 27 21.845 0.352 0.764 1 U 0.580E+07 0.000E+00 e 0 0 0 0 28 60.207 0.541 3.716 1 U 0.229E+08 0.000E+00 e 0 0 0 0 29 60.207 0.751 3.725 1 U 0.365E+07 0.000E+00 e 0 0 0 0 30 60.207 1.659 3.720 1 U 0.283E+08 0.000E+00 e 0 0 0 0 31 60.207 8.249 3.714 1 U 0.129E+08 0.000E+00 e 0 0 0 0 32 29.040 8.079 1.898 1 U 0.757E+07 0.000E+00 e 0 0 0 0 33 29.040 7.736 1.902 1 U 0.348E+08 0.000E+00 e 0 0 0 0 34 29.040 3.828 1.898 1 U 0.343E+08 0.000E+00 e 0 0 0 0 35 58.455 3.038 3.998 1 U 0.586E+07 0.000E+00 e 0 0 0 0 36 29.023 4.413 1.896 1 U 0.445E+07 0.000E+00 e 0 0 0 0 37 29.023 3.259 1.914 1 U 0.783E+07 0.000E+00 e 0 0 0 0 38 29.023 3.263 1.967 1 U 0.744E+07 0.000E+00 e 0 0 0 0 39 29.023 1.509 1.953 1 U 0.725E+07 0.000E+00 e 0 0 0 0 40 59.497 8.621 3.880 1 U 0.908E+07 0.000E+00 e 0 0 0 0 41 58.950 3.066 3.878 1 U 0.172E+08 0.000E+00 e 0 0 0 0 42 58.950 1.501 3.878 1 U 0.277E+08 0.000E+00 e 0 0 0 0 43 58.950 1.430 3.887 1 U 0.166E+08 0.000E+00 e 0 0 0 0 44 28.521 0.359 1.999 1 U 0.500E+07 0.000E+00 e 0 0 0 0 45 28.521 0.352 2.161 1 U 0.486E+07 0.000E+00 e 0 0 0 0 46 28.521 0.747 2.161 1 U 0.451E+07 0.000E+00 e 0 0 0 0 47 28.521 3.516 2.021 1 U 0.571E+07 0.000E+00 e 0 0 0 0 48 28.521 3.524 2.153 1 U 0.582E+07 0.000E+00 e 0 0 0 0 49 28.521 7.001 2.173 1 U 0.378E+07 0.000E+00 e 0 0 0 0 50 34.062 7.025 2.343 1 U 0.116E+08 0.000E+00 e 0 0 0 0 51 34.062 6.764 2.345 1 U 0.476E+07 0.000E+00 e 0 0 0 0 52 34.062 3.508 2.341 1 U 0.832E+07 0.000E+00 e 0 0 0 0 53 34.062 0.363 2.335 1 U 0.395E+07 0.000E+00 e 0 0 0 0 54 66.397 1.655 3.123 1 U 0.112E+08 0.000E+00 e 0 0 0 0 55 66.397 -0.111 3.121 1 U 0.593E+07 0.000E+00 e 0 0 0 0 56 38.053 0.549 1.649 1 U 0.305E+08 0.000E+00 e 0 0 0 0 57 38.053 3.733 1.655 1 U 0.788E+07 0.000E+00 e 0 0 0 0 58 38.053 3.607 1.645 1 U 0.493E+07 0.000E+00 e 0 0 0 0 59 38.053 3.125 1.643 1 U 0.407E+07 0.000E+00 e 0 0 0 0 60 38.053 8.226 1.645 1 U 0.106E+08 0.000E+00 e 0 0 0 0 61 38.053 7.669 1.649 1 U 0.801E+07 0.000E+00 e 0 0 0 0 62 14.436 8.289 0.531 1 U 0.804E+07 0.000E+00 e 0 0 0 0 63 14.436 3.686 0.527 1 U 0.202E+08 0.000E+00 e 0 0 0 0 64 14.436 1.896 0.525 1 U 0.126E+08 0.000E+00 e 0 0 0 0 65 14.436 1.651 0.533 1 U 0.612E+08 0.000E+00 e 0 0 0 0 66 14.436 1.051 0.531 1 U 0.957E+07 0.000E+00 e 0 0 0 0 67 17.023 1.651 0.598 1 U 0.401E+08 0.000E+00 e 0 0 0 0 68 17.023 1.904 0.604 1 U 0.543E+07 0.000E+00 e 0 0 0 0 69 17.023 2.339 0.604 1 U 0.833E+07 0.000E+00 e 0 0 0 0 70 17.023 3.694 0.604 1 U 0.468E+07 0.000E+00 e 0 0 0 0 71 17.023 3.880 0.596 1 U 0.443E+07 0.000E+00 e 0 0 0 0 72 57.551 2.177 3.799 1 U 0.541E+07 0.000E+00 e 0 0 0 0 73 57.551 0.470 3.795 1 U 0.530E+07 0.000E+00 e 0 0 0 0 74 57.551 0.913 3.791 1 U 0.537E+07 0.000E+00 e 0 0 0 0 75 41.721 0.498 0.761 1 U 0.970E+07 0.000E+00 e 0 0 0 0 76 41.721 0.494 1.536 1 U 0.666E+07 0.000E+00 e 0 0 0 0 77 22.485 0.909 0.230 1 U 0.126E+08 0.000E+00 e 0 0 0 0 78 22.485 0.486 0.236 1 U 0.135E+08 0.000E+00 e 0 0 0 0 79 25.454 0.474 -0.114 1 U 0.827E+07 0.000E+00 e 0 0 0 0 80 25.454 0.391 -0.106 1 U 0.999E+07 0.000E+00 e 0 0 0 0 81 25.454 1.667 -0.108 1 U 0.575E+07 0.000E+00 e 0 0 0 0 82 59.654 0.668 3.649 1 U 0.157E+08 0.000E+00 e 0 0 0 0 83 59.654 0.510 3.657 1 U 0.256E+08 0.000E+00 e 0 0 0 0 84 59.654 1.450 3.653 1 U 0.224E+08 0.000E+00 e 0 0 0 0 85 59.654 1.639 3.659 1 U 0.577E+08 0.000E+00 e 0 0 0 0 86 59.654 7.716 3.653 1 U 0.124E+08 0.000E+00 e 0 0 0 0 87 29.390 7.704 1.684 1 U 0.583E+07 0.000E+00 e 0 0 0 0 88 29.390 7.692 2.020 1 U 0.149E+08 0.000E+00 e 0 0 0 0 89 29.390 3.868 1.684 1 U 0.900E+07 0.000E+00 e 0 0 0 0 90 29.390 3.888 2.018 1 U 0.266E+08 0.000E+00 e 0 0 0 0 91 29.390 0.517 2.030 1 U 0.457E+07 0.000E+00 e 0 0 0 0 92 29.390 0.612 2.026 1 U 0.302E+07 0.000E+00 e 0 0 0 0 93 29.390 0.521 1.668 1 U 0.609E+07 0.000E+00 e 0 0 0 0 94 29.390 0.632 1.670 1 U 0.501E+07 0.000E+00 e 0 0 0 0 95 37.726 0.612 2.332 1 U 0.175E+08 0.000E+00 e 0 0 0 0 96 37.726 0.498 2.334 1 U 0.115E+08 0.000E+00 e 0 0 0 0 97 37.726 0.636 1.891 1 U 0.902E+07 0.000E+00 e 0 0 0 0 98 37.726 0.494 1.899 1 U 0.113E+08 0.000E+00 e 0 0 0 0 99 37.726 7.708 1.899 1 U 0.478E+07 0.000E+00 e 0 0 0 0 100 36.023 7.740 2.176 1 U 0.214E+08 0.000E+00 e 0 0 0 0 101 36.023 7.819 2.180 1 U 0.125E+08 0.000E+00 e 0 0 0 0 102 36.023 2.769 2.101 1 U 0.587E+07 0.000E+00 e 0 0 0 0 103 36.023 1.454 2.180 1 U 0.107E+08 0.000E+00 e 0 0 0 0 104 36.023 1.462 2.099 1 U 0.716E+07 0.000E+00 e 0 0 0 0 105 65.849 1.592 3.598 1 U 0.849E+07 0.000E+00 e 0 0 0 0 106 65.849 1.458 3.594 1 U 0.557E+07 0.000E+00 e 0 0 0 0 107 30.793 3.812 2.158 1 U 0.471E+07 0.000E+00 e 0 0 0 0 108 30.793 1.612 2.158 1 U 0.480E+07 0.000E+00 e 0 0 0 0 109 21.804 0.486 0.925 1 U 0.120E+08 0.000E+00 e 0 0 0 0 110 21.804 0.241 0.927 1 U 0.600E+07 0.000E+00 e 0 0 0 0 111 21.804 1.928 0.933 1 U 0.332E+08 0.000E+00 e 0 0 0 0 112 21.804 1.592 0.935 1 U 0.166E+08 0.000E+00 e 0 0 0 0 113 21.804 1.762 0.933 1 U 0.148E+08 0.000E+00 e 0 0 0 0 114 21.804 3.797 0.931 1 U 0.185E+08 0.000E+00 e 0 0 0 0 115 22.158 3.967 0.793 1 U 0.486E+07 0.000E+00 e 0 0 0 0 116 22.158 1.608 0.791 1 U 0.145E+08 0.000E+00 e 0 0 0 0 117 22.158 0.482 0.795 1 U 0.136E+08 0.000E+00 e 0 0 0 0 118 41.804 3.635 1.613 1 U 0.366E+07 0.000E+00 e 0 0 0 0 119 41.804 3.635 1.469 1 U 0.309E+07 0.000E+00 e 0 0 0 0 120 41.804 0.513 1.609 1 U 0.608E+07 0.000E+00 e 0 0 0 0 121 41.804 0.517 1.034 1 U 0.577E+07 0.000E+00 e 0 0 0 0 122 24.757 0.486 0.696 1 U 0.164E+08 0.000E+00 e 0 0 0 0 124 24.757 2.228 0.696 1 U 0.766E+07 0.000E+00 e 0 0 0 0 125 24.757 3.907 0.698 1 U 0.127E+08 0.000E+00 e 0 0 0 0 126 25.672 3.619 0.661 1 U 0.531E+07 0.000E+00 e 0 0 0 0 127 25.672 2.236 0.653 1 U 0.462E+07 0.000E+00 e 0 0 0 0 128 25.672 0.486 0.659 1 U 0.255E+08 0.000E+00 e 0 0 0 0 129 58.755 1.284 3.875 1 U 0.104E+08 0.000E+00 e 0 0 0 0 130 32.491 1.474 1.767 1 U 0.384E+08 0.000E+00 e 0 0 0 0 131 32.491 1.284 1.767 1 U 0.175E+08 0.000E+00 e 0 0 0 0 132 41.962 1.481 2.753 1 U 0.745E+08 0.000E+00 e 0 0 0 0 133 41.962 1.268 2.755 1 U 0.171E+08 0.000E+00 e 0 0 0 0 134 41.962 0.664 2.735 1 U 0.605E+07 0.000E+00 e 0 0 0 0 135 41.962 2.149 2.768 1 U 0.103E+08 0.000E+00 e 0 0 0 0 136 56.208 8.320 4.185 1 U 0.135E+08 0.000E+00 e 0 0 0 0 137 56.208 8.012 4.193 1 U 0.105E+08 0.000E+00 e 0 0 0 0 138 56.208 2.260 4.183 1 U 0.142E+08 0.000E+00 e 0 0 0 0 139 56.208 1.817 4.181 1 U 0.300E+08 0.000E+00 e 0 0 0 0 140 56.208 1.651 4.195 1 U 0.216E+08 0.000E+00 e 0 0 0 0 141 56.208 1.474 4.197 1 U 0.168E+08 0.000E+00 e 0 0 0 0 143 32.875 4.219 1.929 1 U 0.717E+07 0.000E+00 e 0 0 0 0 144 32.875 0.924 1.927 1 U 0.112E+08 0.000E+00 e 0 0 0 0 145 32.875 0.837 1.927 1 U 0.890E+07 0.000E+00 e 0 0 0 0 146 32.875 0.920 1.585 1 U 0.873E+07 0.000E+00 e 0 0 0 0 147 32.875 0.822 1.585 1 U 0.950E+07 0.000E+00 e 0 0 0 0 148 30.317 3.587 1.980 1 U 0.104E+08 0.000E+00 e 0 0 0 0 149 30.317 3.409 1.986 1 U 0.160E+08 0.000E+00 e 0 0 0 0 150 30.317 3.591 1.605 1 U 0.820E+07 0.000E+00 e 0 0 0 0 151 30.317 3.406 1.599 1 U 0.621E+07 0.000E+00 e 0 0 0 0 152 30.317 0.786 1.603 1 U 0.108E+08 0.000E+00 e 0 0 0 0 153 30.317 0.778 1.982 1 U 0.577E+07 0.000E+00 e 0 0 0 0 154 30.317 0.932 1.978 1 U 0.366E+07 0.000E+00 e 0 0 0 0 155 33.449 0.790 2.182 1 U 0.415E+07 0.000E+00 e 0 0 0 0 156 33.449 3.406 2.180 1 U 0.763E+07 0.000E+00 e 0 0 0 0 157 33.449 3.583 2.186 1 U 0.691E+07 0.000E+00 e 0 0 0 0 158 33.449 7.297 2.186 1 U 0.524E+07 0.000E+00 e 0 0 0 0 159 33.449 6.732 2.176 1 U 0.278E+07 0.000E+00 e 0 0 0 0 160 37.092 6.645 2.932 1 U 0.292E+07 0.000E+00 e 0 0 0 0 161 37.092 6.653 2.591 1 U 0.302E+07 0.000E+00 e 0 0 0 0 162 27.143 0.920 1.761 1 U 0.582E+07 0.000E+00 e 0 0 0 0 163 49.861 2.173 3.408 1 U 0.599E+07 0.000E+00 e 0 0 0 0 164 49.861 2.169 3.570 1 U 0.695E+07 0.000E+00 e 0 0 0 0 165 35.285 0.482 1.923 1 U 0.398E+07 0.000E+00 e 0 0 0 0 166 20.033 6.949 0.753 1 U 0.796E+07 0.000E+00 e 0 0 0 0 167 20.033 2.718 0.749 1 U 0.755E+07 0.000E+00 e 0 0 0 0 168 20.033 2.552 0.753 1 U 0.436E+07 0.000E+00 e 0 0 0 0 169 20.033 0.241 0.757 1 U 0.168E+08 0.000E+00 e 0 0 0 0 170 20.033 0.502 0.761 1 U 0.216E+08 0.000E+00 e 0 0 0 0 171 21.559 0.486 0.902 1 U 0.540E+07 0.000E+00 e 0 0 0 0 172 21.559 0.225 0.906 1 U 0.678E+07 0.000E+00 e 0 0 0 0 173 61.578 4.630 5.097 1 U 0.273E+08 0.000E+00 e 0 0 0 0 174 20.960 8.289 0.813 1 U 0.502E+07 0.000E+00 e 0 0 0 0 175 20.960 7.566 0.813 1 U 0.503E+07 0.000E+00 e 0 0 0 0 176 20.960 4.630 0.807 1 U 0.121E+08 0.000E+00 e 0 0 0 0 177 31.788 0.916 2.851 1 U 0.590E+07 0.000E+00 e 0 0 0 0 178 31.788 0.770 2.851 1 U 0.503E+07 0.000E+00 e 0 0 0 0 179 31.788 0.778 3.152 1 U 0.492E+07 0.000E+00 e 0 0 0 0 180 31.788 0.474 3.148 1 U 0.361E+07 0.000E+00 e 0 0 0 0 181 31.788 3.757 3.159 1 U 0.275E+07 0.000E+00 e 0 0 0 0 182 31.788 3.730 2.849 1 U 0.248E+07 0.000E+00 e 0 0 0 0 183 31.788 7.009 3.154 1 U 0.839E+07 0.000E+00 e 0 0 0 0 184 31.788 7.017 2.849 1 U 0.680E+07 0.000E+00 e 0 0 0 0 187 31.788 7.483 3.156 1 U 0.590E+07 0.000E+00 e 0 0 0 0 188 31.788 7.487 2.847 1 U 0.675E+07 0.000E+00 e 0 0 0 0 189 36.709 6.705 1.508 1 U 0.386E+07 0.000E+00 e 0 0 0 0 190 36.709 6.712 2.602 1 U 0.704E+07 0.000E+00 e 0 0 0 0 191 36.709 7.032 2.600 1 U 0.328E+07 0.000E+00 e 0 0 0 0 192 36.709 6.408 2.602 1 U 0.430E+07 0.000E+00 e 0 0 0 0 193 45.227 0.802 3.310 1 U 0.595E+07 0.000E+00 e 0 0 0 0 194 61.687 1.912 4.226 1 U 0.750E+07 0.000E+00 e 0 0 0 0 195 61.687 4.591 4.224 1 U 0.982E+07 0.000E+00 e 0 0 0 0 196 61.687 3.682 4.228 1 U 0.584E+07 0.000E+00 e 0 0 0 0 199 68.972 4.208 3.669 1 U 0.604E+07 0.000E+00 e 0 0 0 0 200 21.314 1.928 0.838 1 U 0.104E+08 0.000E+00 e 0 0 0 0 201 21.314 1.766 0.838 1 U 0.749E+07 0.000E+00 e 0 0 0 0 202 21.314 1.576 0.836 1 U 0.119E+08 0.000E+00 e 0 0 0 0 203 40.817 8.273 2.699 1 U 0.613E+07 0.000E+00 e 0 0 0 0 204 21.450 4.587 0.927 1 U 0.588E+07 0.000E+00 e 0 0 0 0 205 50.719 3.884 4.916 1 U 0.351E+08 0.000E+00 e 0 0 0 0 206 42.547 7.601 2.790 1 U 0.467E+07 0.000E+00 e 0 0 0 0 207 42.547 7.617 2.585 1 U 0.394E+07 0.000E+00 e 0 0 0 0 208 42.547 2.145 2.581 1 U 0.729E+07 0.000E+00 e 0 0 0 0 209 42.547 2.157 2.788 1 U 0.139E+08 0.000E+00 e 0 0 0 0 210 42.547 2.386 2.794 1 U 0.633E+07 0.000E+00 e 0 0 0 0 211 42.547 2.390 2.581 1 U 0.443E+07 0.000E+00 e 0 0 0 0 212 64.699 1.632 3.944 1 U 0.163E+08 0.000E+00 e 0 0 0 0 213 64.699 0.691 3.946 1 U 0.162E+08 0.000E+00 e 0 0 0 0 214 64.699 0.486 3.946 1 U 0.225E+08 0.000E+00 e 0 0 0 0 215 64.699 7.352 3.946 1 U 0.567E+07 0.000E+00 e 0 0 0 0 216 64.699 7.597 3.940 1 U 0.408E+07 0.000E+00 e 0 0 0 0 217 32.191 0.668 1.779 1 U 0.109E+08 0.000E+00 e 0 0 0 0 218 32.191 0.683 2.247 1 U 0.165E+08 0.000E+00 e 0 0 0 0 219 31.918 0.513 2.259 1 U 0.613E+07 0.000E+00 e 0 0 0 0 220 27.143 4.895 1.883 1 U 0.418E+07 0.000E+00 e 0 0 0 0 221 27.143 2.584 1.891 1 U 0.442E+07 0.000E+00 e 0 0 0 0 222 27.143 0.687 1.879 1 U 0.559E+07 0.000E+00 e 0 0 0 0 223 51.251 2.607 3.863 1 U 0.622E+07 0.000E+00 e 0 0 0 0 224 51.251 4.911 3.869 1 U 0.539E+08 0.000E+00 e 0 0 0 0 226 56.163 1.454 4.102 1 U 0.254E+08 0.000E+00 e 0 0 0 0 227 56.163 8.380 4.098 1 U 0.617E+07 0.000E+00 e 0 0 0 0 228 37.887 7.953 2.514 1 U 0.576E+07 0.000E+00 e 0 0 0 0 229 37.887 7.961 2.743 1 U 0.922E+07 0.000E+00 e 0 0 0 0 230 37.887 6.942 2.743 1 U 0.240E+07 0.000E+00 e 0 0 0 0 231 58.291 6.985 3.940 1 U 0.747E+07 0.000E+00 e 0 0 0 0 232 58.291 1.738 3.938 1 U 0.197E+08 0.000E+00 e 0 0 0 0 233 58.291 1.481 3.932 1 U 0.105E+08 0.000E+00 e 0 0 0 0 234 29.726 2.781 2.081 1 U 0.451E+07 0.000E+00 e 0 0 0 0 235 29.726 2.781 2.182 1 U 0.502E+07 0.000E+00 e 0 0 0 0 236 29.726 6.969 2.089 1 U 0.595E+07 0.000E+00 e 0 0 0 0 237 29.726 6.973 2.176 1 U 0.548E+07 0.000E+00 e 0 0 0 0 238 36.309 2.781 2.391 1 U 0.838E+07 0.000E+00 e 0 0 0 0 239 36.309 2.777 2.168 1 U 0.955E+07 0.000E+00 e 0 0 0 0 241 64.892 0.407 2.978 1 U 0.139E+08 0.000E+00 e 0 0 0 0 242 64.892 7.609 2.978 1 U 0.333E+07 0.000E+00 e 0 0 0 0 243 37.284 3.947 1.631 1 U 0.957E+07 0.000E+00 e 0 0 0 0 245 37.284 0.675 1.629 1 U 0.122E+08 0.000E+00 e 0 0 0 0 247 12.787 1.924 0.481 1 U 0.615E+07 0.000E+00 e 0 0 0 0 248 12.787 2.722 0.487 1 U 0.787E+07 0.000E+00 e 0 0 0 0 249 12.787 2.536 0.487 1 U 0.532E+07 0.000E+00 e 0 0 0 0 250 12.787 3.947 0.491 1 U 0.160E+08 0.000E+00 e 0 0 0 0 251 17.881 3.947 0.501 1 U 0.554E+07 0.000E+00 e 0 0 0 0 252 17.881 1.418 0.506 1 U 0.116E+08 0.000E+00 e 0 0 0 0 253 17.881 0.241 0.512 1 U 0.111E+08 0.000E+00 e 0 0 0 0 254 60.125 1.446 3.592 1 U 0.141E+08 0.000E+00 e 0 0 0 0 256 60.125 0.675 3.598 1 U 0.115E+08 0.000E+00 e 0 0 0 0 257 60.125 0.494 3.598 1 U 0.220E+08 0.000E+00 e 0 0 0 0 258 31.910 4.200 1.678 1 U 0.115E+08 0.000E+00 e 0 0 0 0 259 31.910 3.453 1.682 1 U 0.536E+07 0.000E+00 e 0 0 0 0 260 31.910 2.078 1.676 1 U 0.602E+08 0.000E+00 e 0 0 0 0 261 41.935 0.672 2.685 1 U 0.690E+07 0.000E+00 e 0 0 0 0 262 66.260 1.936 3.258 1 U 0.955E+07 0.000E+00 e 0 0 0 0 263 30.848 2.995 1.676 1 U 0.868E+07 0.000E+00 e 0 0 0 0 264 30.848 3.702 1.670 1 U 0.592E+07 0.000E+00 e 0 0 0 0 265 21.641 6.969 0.422 1 U 0.759E+07 0.000E+00 e 0 0 0 0 266 21.641 3.003 0.429 1 U 0.717E+07 0.000E+00 e 0 0 0 0 267 20.578 1.497 -0.108 1 U 0.590E+07 0.000E+00 e 0 0 0 0 268 20.578 0.371 -0.108 1 U 0.224E+08 0.000E+00 e 0 0 0 0 269 20.578 2.995 -0.116 1 U 0.469E+07 0.000E+00 e 0 0 0 0 270 66.260 1.422 3.031 1 U 0.640E+07 0.000E+00 e 0 0 0 0 271 66.260 1.699 3.033 1 U 0.857E+07 0.000E+00 e 0 0 0 0 272 66.260 0.348 3.035 1 U 0.700E+07 0.000E+00 e 0 0 0 0 273 66.260 -0.111 3.027 1 U 0.568E+07 0.000E+00 e 0 0 0 0 274 14.258 8.605 0.491 1 U 0.480E+07 0.000E+00 e 0 0 0 0 275 14.258 3.603 0.493 1 U 0.130E+08 0.000E+00 e 0 0 0 0 276 14.258 3.117 0.491 1 U 0.550E+07 0.000E+00 e 0 0 0 0 277 14.258 1.877 0.495 1 U 0.754E+07 0.000E+00 e 0 0 0 0 279 14.258 -0.103 0.489 1 U 0.652E+07 0.000E+00 e 0 0 0 0 281 17.500 3.603 0.653 1 U 0.469E+07 0.000E+00 e 0 0 0 0 282 58.975 8.285 3.736 1 U 0.719E+07 0.000E+00 e 0 0 0 0 283 58.975 2.157 3.736 1 U 0.108E+08 0.000E+00 e 0 0 0 0 284 58.975 1.663 3.734 1 U 0.201E+08 0.000E+00 e 0 0 0 0 285 41.720 1.497 1.723 1 U 0.490E+07 0.000E+00 e 0 0 0 0 286 41.720 0.529 1.725 1 U 0.509E+07 0.000E+00 e 0 0 0 0 287 22.921 7.175 0.714 1 U 0.450E+07 0.000E+00 e 0 0 0 0 288 22.921 1.505 0.722 1 U 0.174E+08 0.000E+00 e 0 0 0 0 289 25.863 1.501 0.352 1 U 0.761E+07 0.000E+00 e 0 0 0 0 290 25.863 0.553 0.352 1 U 0.774E+07 0.000E+00 e 0 0 0 0 291 25.863 -0.111 0.356 1 U 0.164E+08 0.000E+00 e 0 0 0 0 292 25.863 3.034 0.354 1 U 0.485E+07 0.000E+00 e 0 0 0 0 293 32.332 4.192 2.415 1 U 0.354E+07 0.000E+00 e 0 0 0 0 294 32.332 4.184 2.261 1 U 0.376E+07 0.000E+00 e 0 0 0 0 295 32.332 3.650 2.417 1 U 0.616E+07 0.000E+00 e 0 0 0 0 296 54.457 4.441 4.441 1 U 0.243E+09 0.000E+00 e 0 0 0 0 297 40.709 4.441 2.613 1 U 0.202E+08 0.000E+00 e 0 0 0 0 298 40.709 4.441 2.697 1 U 0.226E+08 0.000E+00 e 0 0 0 0 299 54.457 2.613 4.441 1 U 0.231E+08 0.000E+00 e 0 0 0 0 300 40.709 2.613 2.613 1 U 0.145E+09 0.000E+00 e 0 0 0 0 301 40.709 2.613 2.697 1 U 0.143E+09 0.000E+00 e 0 0 0 0 302 54.457 2.697 4.441 1 U 0.245E+08 0.000E+00 e 0 0 0 0 303 40.709 2.697 2.613 1 U 0.144E+09 0.000E+00 e 0 0 0 0 304 40.709 2.697 2.697 1 U 0.178E+09 0.000E+00 e 0 0 0 0 305 66.562 3.500 3.500 1 U 0.144E+09 0.000E+00 e 0 0 0 0 306 31.561 3.500 1.930 1 U 0.698E+07 0.000E+00 e 0 0 0 0 307 22.608 3.500 0.877 1 U 0.219E+08 0.000E+00 e 0 0 0 0 308 21.845 3.500 0.768 1 U 0.197E+08 0.000E+00 e 0 0 0 0 309 66.562 1.930 3.500 1 U 0.104E+08 0.000E+00 e 0 0 0 0 310 31.561 1.930 1.930 1 U 0.145E+09 0.000E+00 e 0 0 0 0 311 22.608 1.930 0.877 1 U 0.339E+08 0.000E+00 e 0 0 0 0 312 21.845 1.930 0.768 1 U 0.421E+08 0.000E+00 e 0 0 0 0 313 66.562 0.877 3.500 1 U 0.156E+08 0.000E+00 e 0 0 0 0 314 31.561 0.877 1.930 1 U 0.182E+08 0.000E+00 e 0 0 0 0 315 22.608 0.877 0.877 1 U 0.115E+10 0.000E+00 e 0 0 0 0 316 21.845 0.877 0.768 1 U 0.645E+08 0.000E+00 e 0 0 0 0 317 66.562 0.768 3.500 1 U 0.152E+08 0.000E+00 e 0 0 0 0 318 31.561 0.768 1.930 1 U 0.201E+08 0.000E+00 e 0 0 0 0 319 22.608 0.744 0.879 1 U 0.450E+08 0.000E+00 e 0 0 0 0 320 21.845 0.768 0.768 1 U 0.121E+10 0.000E+00 e 0 0 0 0 321 54.457 8.194 4.441 1 U 0.290E+08 0.000E+00 e 0 0 0 0 322 40.709 8.194 2.613 1 U 0.684E+07 0.000E+00 e 0 0 0 0 323 40.709 8.194 2.697 1 U 0.478E+07 0.000E+00 e 0 0 0 0 324 66.562 8.194 3.500 1 U 0.899E+07 0.000E+00 e 0 0 0 0 325 31.561 8.194 1.930 1 U 0.117E+08 0.000E+00 e 0 0 0 0 326 22.608 8.194 0.877 1 U 0.204E+08 0.000E+00 e 0 0 0 0 327 21.845 8.194 0.768 1 U 0.796E+07 0.000E+00 e 0 0 0 0 328 60.207 3.717 3.717 1 U 0.254E+09 0.000E+00 e 0 0 0 0 329 29.045 3.717 1.928 1 U 0.203E+08 0.000E+00 e 0 0 0 0 330 36.786 3.717 2.073 1 U 0.871E+07 0.000E+00 e 0 0 0 0 331 36.786 3.717 2.191 1 U 0.897E+07 0.000E+00 e 0 0 0 0 332 60.207 1.884 3.717 1 U 0.409E+08 0.000E+00 e 0 0 0 0 333 29.045 1.884 1.928 1 U 0.433E+09 0.000E+00 e 0 0 0 0 334 36.786 1.884 2.073 1 U 0.535E+08 0.000E+00 e 0 0 0 0 335 36.786 1.884 2.191 1 U 0.360E+08 0.000E+00 e 0 0 0 0 336 60.207 1.928 3.717 1 U 0.383E+08 0.000E+00 e 0 0 0 0 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0.773E+07 0.000E+00 e 0 0 0 0 355 36.786 8.305 2.191 1 U 0.778E+07 0.000E+00 e 0 0 0 0 356 58.455 3.997 3.997 1 U 0.292E+09 0.000E+00 e 0 0 0 0 357 29.020 3.997 1.897 1 U 0.142E+08 0.000E+00 e 0 0 0 0 358 29.020 3.997 1.970 1 U 0.177E+08 0.000E+00 e 0 0 0 0 359 35.424 3.997 2.139 1 U 0.572E+07 0.000E+00 e 0 0 0 0 360 35.424 3.997 2.217 1 U 0.778E+07 0.000E+00 e 0 0 0 0 361 58.455 1.897 3.997 1 U 0.221E+08 0.000E+00 e 0 0 0 0 362 29.020 1.897 1.897 1 U 0.585E+09 0.000E+00 e 0 0 0 0 363 29.020 1.897 1.970 1 U 0.313E+09 0.000E+00 e 0 0 0 0 364 35.424 1.897 2.139 1 U 0.488E+08 0.000E+00 e 0 0 0 0 365 35.424 1.897 2.217 1 U 0.314E+08 0.000E+00 e 0 0 0 0 366 58.455 1.970 3.997 1 U 0.233E+08 0.000E+00 e 0 0 0 0 367 29.020 1.970 1.897 1 U 0.298E+09 0.000E+00 e 0 0 0 0 368 29.020 1.970 1.970 1 U 0.488E+09 0.000E+00 e 0 0 0 0 369 35.424 1.970 2.139 1 U 0.702E+08 0.000E+00 e 0 0 0 0 370 35.424 1.970 2.217 1 U 0.402E+08 0.000E+00 e 0 0 0 0 371 58.455 2.139 3.997 1 U 0.103E+08 0.000E+00 e 0 0 0 0 372 29.020 2.139 1.897 1 U 0.110E+09 0.000E+00 e 0 0 0 0 373 29.020 2.139 1.970 1 U 0.135E+09 0.000E+00 e 0 0 0 0 374 35.424 2.139 2.139 1 U 0.409E+09 0.000E+00 e 0 0 0 0 375 35.424 2.139 2.217 1 U 0.199E+09 0.000E+00 e 0 0 0 0 376 58.455 2.217 3.997 1 U 0.101E+08 0.000E+00 e 0 0 0 0 377 29.020 2.217 1.897 1 U 0.471E+08 0.000E+00 e 0 0 0 0 378 29.020 2.217 1.970 1 U 0.544E+08 0.000E+00 e 0 0 0 0 379 35.424 2.217 2.139 1 U 0.218E+09 0.000E+00 e 0 0 0 0 380 35.424 2.217 2.217 1 U 0.217E+09 0.000E+00 e 0 0 0 0 381 60.207 7.654 3.717 1 U 0.723E+07 0.000E+00 e 0 0 0 0 382 29.045 7.654 1.928 1 U 0.212E+08 0.000E+00 e 0 0 0 0 383 36.786 7.666 2.057 1 U 0.384E+07 0.000E+00 e 0 0 0 0 384 36.786 7.654 2.191 1 U 0.489E+07 0.000E+00 e 0 0 0 0 385 58.455 7.654 3.997 1 U 0.165E+08 0.000E+00 e 0 0 0 0 386 29.020 7.654 1.897 1 U 0.262E+08 0.000E+00 e 0 0 0 0 387 29.020 7.654 1.970 1 U 0.397E+08 0.000E+00 e 0 0 0 0 388 35.424 7.654 2.139 1 U 0.907E+07 0.000E+00 e 0 0 0 0 389 35.424 7.654 2.217 1 U 0.710E+07 0.000E+00 e 0 0 0 0 390 58.950 3.877 3.877 1 U 0.771E+09 0.000E+00 e 0 0 0 0 391 28.494 3.877 2.159 1 U 0.732E+07 0.000E+00 e 0 0 0 0 392 28.494 3.877 2.016 1 U 0.129E+08 0.000E+00 e 0 0 0 0 393 34.062 3.877 2.343 1 U 0.120E+08 0.000E+00 e 0 0 0 0 394 58.950 2.159 3.877 1 U 0.327E+08 0.000E+00 e 0 0 0 0 395 28.494 2.159 2.159 1 U 0.493E+08 0.000E+00 e 0 0 0 0 396 28.494 2.159 2.016 1 U 0.474E+08 0.000E+00 e 0 0 0 0 397 34.062 2.159 2.343 1 U 0.362E+08 0.000E+00 e 0 0 0 0 398 58.950 2.016 3.877 1 U 0.584E+08 0.000E+00 e 0 0 0 0 399 28.494 2.016 2.159 1 U 0.337E+08 0.000E+00 e 0 0 0 0 400 28.494 2.016 2.016 1 U 0.653E+08 0.000E+00 e 0 0 0 0 401 34.062 2.016 2.343 1 U 0.245E+08 0.000E+00 e 0 0 0 0 402 58.950 2.343 3.877 1 U 0.225E+08 0.000E+00 e 0 0 0 0 403 28.494 2.343 2.159 1 U 0.259E+08 0.000E+00 e 0 0 0 0 404 28.494 2.343 2.016 1 U 0.260E+08 0.000E+00 e 0 0 0 0 405 34.062 2.343 2.343 1 U 0.231E+09 0.000E+00 e 0 0 0 0 406 58.455 7.864 3.997 1 U 0.485E+07 0.000E+00 e 0 0 0 0 407 29.020 7.864 1.897 1 U 0.175E+08 0.000E+00 e 0 0 0 0 408 29.020 7.864 1.970 1 U 0.105E+08 0.000E+00 e 0 0 0 0 409 58.950 7.864 3.877 1 U 0.214E+08 0.000E+00 e 0 0 0 0 410 28.494 7.864 2.159 1 U 0.862E+07 0.000E+00 e 0 0 0 0 411 28.494 7.864 2.016 1 U 0.974E+07 0.000E+00 e 0 0 0 0 412 34.062 7.864 2.343 1 U 0.170E+08 0.000E+00 e 0 0 0 0 413 66.397 3.127 3.127 1 U 0.777E+08 0.000E+00 e 0 0 0 0 414 14.436 3.127 0.531 1 U 0.584E+07 0.000E+00 e 0 0 0 0 415 17.023 3.127 0.605 1 U 0.125E+08 0.000E+00 e 0 0 0 0 416 66.397 0.531 3.127 1 U 0.175E+08 0.000E+00 e 0 0 0 0 417 14.436 0.531 0.531 1 U 0.579E+09 0.000E+00 e 0 0 0 0 418 17.023 0.531 0.605 1 U 0.134E+09 0.000E+00 e 0 0 0 0 419 66.397 0.605 3.127 1 U 0.147E+08 0.000E+00 e 0 0 0 0 420 14.436 0.605 0.531 1 U 0.133E+09 0.000E+00 e 0 0 0 0 421 17.023 0.605 0.605 1 U 0.583E+09 0.000E+00 e 0 0 0 0 422 28.494 8.229 2.159 1 U 0.650E+07 0.000E+00 e 0 0 0 0 423 28.494 8.229 2.016 1 U 0.467E+07 0.000E+00 e 0 0 0 0 424 34.062 8.229 2.343 1 U 0.414E+07 0.000E+00 e 0 0 0 0 425 66.397 8.229 3.127 1 U 0.688E+07 0.000E+00 e 0 0 0 0 426 14.436 8.229 0.531 1 U 0.100E+08 0.000E+00 e 0 0 0 0 427 17.023 8.229 0.605 1 U 0.669E+07 0.000E+00 e 0 0 0 0 428 59.545 3.887 3.887 1 U 0.413E+09 0.000E+00 e 0 0 0 0 429 29.889 3.887 1.773 1 U 0.219E+08 0.000E+00 e 0 0 0 0 430 59.545 1.773 3.887 1 U 0.393E+08 0.000E+00 e 0 0 0 0 431 29.889 1.773 1.773 1 U 0.159E+09 0.000E+00 e 0 0 0 0 432 17.023 7.701 0.605 1 U 0.569E+07 0.000E+00 e 0 0 0 0 433 59.545 7.701 3.887 1 U 0.263E+08 0.000E+00 e 0 0 0 0 434 29.889 7.701 1.773 1 U 0.115E+08 0.000E+00 e 0 0 0 0 435 59.140 3.874 3.874 1 U 0.766E+09 0.000E+00 e 0 0 0 0 436 30.081 3.874 1.776 1 U 0.254E+08 0.000E+00 e 0 0 0 0 437 59.140 1.776 3.874 1 U 0.735E+08 0.000E+00 e 0 0 0 0 438 30.081 1.776 1.776 1 U 0.181E+09 0.000E+00 e 0 0 0 0 439 59.545 7.958 3.887 1 U 0.832E+07 0.000E+00 e 0 0 0 0 440 29.889 7.958 1.773 1 U 0.135E+08 0.000E+00 e 0 0 0 0 441 59.140 7.958 3.874 1 U 0.221E+08 0.000E+00 e 0 0 0 0 442 30.081 7.958 1.776 1 U 0.143E+08 0.000E+00 e 0 0 0 0 443 57.551 3.796 3.796 1 U 0.870E+08 0.000E+00 e 0 0 0 0 444 41.721 3.796 0.766 1 U 0.352E+07 0.000E+00 e 0 0 0 0 445 41.721 3.796 1.534 1 U 0.321E+07 0.000E+00 e 0 0 0 0 446 22.485 3.796 0.238 1 U 0.154E+08 0.000E+00 e 0 0 0 0 447 57.551 0.766 3.796 1 U 0.798E+07 0.000E+00 e 0 0 0 0 448 41.721 0.766 0.766 1 U 0.183E+08 0.000E+00 e 0 0 0 0 449 41.721 0.766 1.534 1 U 0.140E+08 0.000E+00 e 0 0 0 0 450 25.454 0.766 -0.110 1 U 0.735E+07 0.000E+00 e 0 0 0 0 451 22.485 0.766 0.238 1 U 0.206E+08 0.000E+00 e 0 0 0 0 452 57.551 1.534 3.796 1 U 0.496E+07 0.000E+00 e 0 0 0 0 453 41.721 1.534 0.766 1 U 0.118E+08 0.000E+00 e 0 0 0 0 454 41.721 1.534 1.534 1 U 0.253E+08 0.000E+00 e 0 0 0 0 455 25.454 1.534 -0.110 1 U 0.495E+07 0.000E+00 e 0 0 0 0 456 22.485 1.534 0.238 1 U 0.369E+07 0.000E+00 e 0 0 0 0 457 26.725 1.534 1.298 1 U 0.343E+07 0.000E+00 e 0 0 0 0 458 41.721 -0.110 0.766 1 U 0.359E+07 0.000E+00 e 0 0 0 0 459 41.721 -0.110 1.534 1 U 0.649E+07 0.000E+00 e 0 0 0 0 460 25.454 -0.110 -0.110 1 U 0.267E+09 0.000E+00 e 0 0 0 0 461 22.485 -0.110 0.238 1 U 0.198E+08 0.000E+00 e 0 0 0 0 462 26.725 -0.110 1.298 1 U 0.379E+07 0.000E+00 e 0 0 0 0 463 57.551 0.238 3.796 1 U 0.127E+08 0.000E+00 e 0 0 0 0 464 41.721 0.238 0.766 1 U 0.235E+07 0.000E+00 e 0 0 0 0 465 41.721 0.238 1.534 1 U 0.267E+07 0.000E+00 e 0 0 0 0 466 25.454 0.238 -0.110 1 U 0.130E+08 0.000E+00 e 0 0 0 0 467 22.485 0.238 0.238 1 U 0.424E+09 0.000E+00 e 0 0 0 0 468 26.725 0.238 1.298 1 U 0.789E+07 0.000E+00 e 0 0 0 0 469 57.551 1.298 3.796 1 U 0.444E+07 0.000E+00 e 0 0 0 0 470 41.721 1.298 1.534 1 U 0.484E+07 0.000E+00 e 0 0 0 0 471 25.454 1.298 -0.110 1 U 0.724E+07 0.000E+00 e 0 0 0 0 472 22.485 1.298 0.238 1 U 0.140E+08 0.000E+00 e 0 0 0 0 473 26.725 1.298 1.298 1 U 0.465E+08 0.000E+00 e 0 0 0 0 474 59.140 7.822 3.874 1 U 0.174E+08 0.000E+00 e 0 0 0 0 475 30.081 7.822 1.776 1 U 0.551E+07 0.000E+00 e 0 0 0 0 476 57.551 7.822 3.796 1 U 0.615E+07 0.000E+00 e 0 0 0 0 477 26.725 7.822 1.298 1 U 0.421E+07 0.000E+00 e 0 0 0 0 478 29.363 3.652 1.681 1 U 0.199E+08 0.000E+00 e 0 0 0 0 479 29.363 3.652 2.019 1 U 0.909E+07 0.000E+00 e 0 0 0 0 480 37.712 3.652 1.901 1 U 0.138E+08 0.000E+00 e 0 0 0 0 481 37.712 3.652 2.336 1 U 0.923E+07 0.000E+00 e 0 0 0 0 482 29.363 1.681 1.681 1 U 0.165E+09 0.000E+00 e 0 0 0 0 483 29.363 1.681 2.019 1 U 0.430E+08 0.000E+00 e 0 0 0 0 484 37.712 1.681 1.901 1 U 0.200E+08 0.000E+00 e 0 0 0 0 485 37.712 1.681 2.336 1 U 0.145E+08 0.000E+00 e 0 0 0 0 486 59.654 2.019 3.652 1 U 0.139E+08 0.000E+00 e 0 0 0 0 487 29.363 2.019 1.681 1 U 0.511E+08 0.000E+00 e 0 0 0 0 488 29.363 2.019 2.019 1 U 0.140E+09 0.000E+00 e 0 0 0 0 489 37.712 2.019 1.901 1 U 0.213E+08 0.000E+00 e 0 0 0 0 490 37.712 2.019 2.336 1 U 0.161E+08 0.000E+00 e 0 0 0 0 491 59.654 1.901 3.652 1 U 0.291E+08 0.000E+00 e 0 0 0 0 492 29.363 1.901 1.681 1 U 0.220E+08 0.000E+00 e 0 0 0 0 493 29.363 1.901 2.019 1 U 0.467E+08 0.000E+00 e 0 0 0 0 494 37.712 1.901 1.901 1 U 0.114E+09 0.000E+00 e 0 0 0 0 495 37.712 1.901 2.336 1 U 0.635E+08 0.000E+00 e 0 0 0 0 496 59.654 2.336 3.652 1 U 0.158E+08 0.000E+00 e 0 0 0 0 497 29.363 2.336 1.681 1 U 0.951E+07 0.000E+00 e 0 0 0 0 498 29.363 2.336 2.019 1 U 0.110E+08 0.000E+00 e 0 0 0 0 499 37.712 2.336 1.901 1 U 0.540E+08 0.000E+00 e 0 0 0 0 500 37.712 2.336 2.336 1 U 0.133E+09 0.000E+00 e 0 0 0 0 501 22.485 8.609 0.238 1 U 0.202E+07 0.000E+00 e 0 0 0 0 502 59.654 8.609 3.652 1 U 0.114E+08 0.000E+00 e 0 0 0 0 503 29.363 8.609 1.681 1 U 0.878E+07 0.000E+00 e 0 0 0 0 504 29.363 8.609 2.019 1 U 0.962E+07 0.000E+00 e 0 0 0 0 505 37.712 8.609 1.901 1 U 0.907E+07 0.000E+00 e 0 0 0 0 506 37.712 8.609 2.336 1 U 0.140E+08 0.000E+00 e 0 0 0 0 507 59.167 3.852 3.852 1 U 0.435E+09 0.000E+00 e 0 0 0 0 508 29.341 3.852 1.975 1 U 0.426E+08 0.000E+00 e 0 0 0 0 509 36.023 3.852 2.168 1 U 0.210E+08 0.000E+00 e 0 0 0 0 510 59.167 1.975 3.852 1 U 0.359E+08 0.000E+00 e 0 0 0 0 511 29.341 1.975 1.975 1 U 0.485E+09 0.000E+00 e 0 0 0 0 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970 35.969 3.831 2.112 1 U 0.153E+08 0.000E+00 e 0 0 0 0 971 58.894 1.975 3.831 1 U 0.336E+08 0.000E+00 e 0 0 0 0 972 35.969 1.975 2.112 1 U 0.982E+08 0.000E+00 e 0 0 0 0 973 58.894 2.112 3.831 1 U 0.198E+08 0.000E+00 e 0 0 0 0 974 35.969 2.112 2.112 1 U 0.526E+09 0.000E+00 e 0 0 0 0 975 58.975 7.732 3.739 1 U 0.116E+08 0.000E+00 e 0 0 0 0 976 28.985 7.732 1.872 1 U 0.257E+08 0.000E+00 e 0 0 0 0 977 58.894 7.732 3.831 1 U 0.179E+08 0.000E+00 e 0 0 0 0 978 29.040 7.732 1.975 1 U 0.347E+08 0.000E+00 e 0 0 0 0 979 35.969 7.732 2.112 1 U 0.107E+08 0.000E+00 e 0 0 0 0 980 57.606 3.858 3.858 1 U 0.121E+09 0.000E+00 e 0 0 0 0 981 41.733 3.858 1.040 1 U 0.541E+07 0.000E+00 e 0 0 0 0 982 41.733 3.858 1.725 1 U 0.277E+07 0.000E+00 e 0 0 0 0 983 22.921 3.858 0.722 1 U 0.214E+08 0.000E+00 e 0 0 0 0 984 57.606 1.040 3.858 1 U 0.570E+07 0.000E+00 e 0 0 0 0 985 41.733 1.040 1.040 1 U 0.215E+08 0.000E+00 e 0 0 0 0 986 41.733 1.040 1.725 1 U 0.122E+08 0.000E+00 e 0 0 0 0 987 25.863 1.040 0.355 1 U 0.607E+07 0.000E+00 e 0 0 0 0 988 22.921 1.040 0.722 1 U 0.106E+08 0.000E+00 e 0 0 0 0 989 57.606 1.725 3.858 1 U 0.777E+07 0.000E+00 e 0 0 0 0 990 41.733 1.725 1.040 1 U 0.176E+08 0.000E+00 e 0 0 0 0 991 41.733 1.725 1.725 1 U 0.230E+08 0.000E+00 e 0 0 0 0 992 25.863 1.725 0.355 1 U 0.802E+07 0.000E+00 e 0 0 0 0 993 22.921 1.725 0.722 1 U 0.648E+07 0.000E+00 e 0 0 0 0 994 41.733 0.355 1.040 1 U 0.212E+07 0.000E+00 e 0 0 0 0 995 41.733 0.355 1.725 1 U 0.437E+07 0.000E+00 e 0 0 0 0 996 25.863 0.355 0.355 1 U 0.265E+09 0.000E+00 e 0 0 0 0 997 22.921 0.355 0.722 1 U 0.246E+08 0.000E+00 e 0 0 0 0 998 57.606 0.722 3.858 1 U 0.141E+08 0.000E+00 e 0 0 0 0 999 41.733 0.722 1.040 1 U 0.502E+07 0.000E+00 e 0 0 0 0 1000 41.733 0.722 1.725 1 U 0.287E+07 0.000E+00 e 0 0 0 0 1001 25.863 0.722 0.355 1 U 0.178E+08 0.000E+00 e 0 0 0 0 1002 22.921 0.722 0.722 1 U 0.672E+09 0.000E+00 e 0 0 0 0 1003 58.894 8.078 3.831 1 U 0.451E+07 0.000E+00 e 0 0 0 0 1004 29.040 8.078 1.975 1 U 0.924E+07 0.000E+00 e 0 0 0 0 1005 57.606 8.078 3.858 1 U 0.334E+07 0.000E+00 e 0 0 0 0 1006 41.733 8.078 1.725 1 U 0.343E+07 0.000E+00 e 0 0 0 0 1007 25.863 8.078 0.355 1 U 0.343E+07 0.000E+00 e 0 0 0 0 1008 59.523 3.657 3.657 1 U 0.377E+09 0.000E+00 e 0 0 0 0 1009 29.780 3.657 1.691 1 U 0.182E+08 0.000E+00 e 0 0 0 0 1010 59.523 1.691 3.657 1 U 0.415E+08 0.000E+00 e 0 0 0 0 1011 29.780 1.691 1.691 1 U 0.148E+09 0.000E+00 e 0 0 0 0 1012 43.133 1.691 3.005 1 U 0.225E+08 0.000E+00 e 0 0 0 0 1013 59.523 3.005 3.657 1 U 0.236E+07 0.000E+00 e 0 0 0 0 1014 29.780 3.005 1.691 1 U 0.469E+07 0.000E+00 e 0 0 0 0 1015 43.133 3.005 3.005 1 U 0.136E+10 0.000E+00 e 0 0 0 0 1016 41.733 8.277 1.040 1 U 0.282E+07 0.000E+00 e 0 0 0 0 1017 41.733 8.277 1.725 1 U 0.224E+07 0.000E+00 e 0 0 0 0 1018 25.863 8.277 0.355 1 U 0.335E+07 0.000E+00 e 0 0 0 0 1019 59.523 8.277 3.657 1 U 0.147E+08 0.000E+00 e 0 0 0 0 1020 29.780 8.277 1.691 1 U 0.999E+07 0.000E+00 e 0 0 0 0 1021 57.852 4.005 4.005 1 U 0.562E+09 0.000E+00 e 0 0 0 0 1022 32.601 4.005 1.752 1 U 0.146E+08 0.000E+00 e 0 0 0 0 1023 57.852 1.752 4.005 1 U 0.409E+08 0.000E+00 e 0 0 0 0 1024 32.601 1.752 1.752 1 U 0.498E+09 0.000E+00 e 0 0 0 0 1025 59.523 7.488 3.657 1 U 0.573E+07 0.000E+00 e 0 0 0 0 1026 29.780 7.488 1.691 1 U 0.355E+07 0.000E+00 e 0 0 0 0 1027 57.852 7.488 4.005 1 U 0.160E+08 0.000E+00 e 0 0 0 0 1028 32.601 7.488 1.752 1 U 0.205E+08 0.000E+00 e 0 0 0 0 1029 58.974 4.338 4.338 1 U 0.361E+09 0.000E+00 e 0 0 0 0 1030 64.029 4.338 3.841 1 U 0.232E+08 0.000E+00 e 0 0 0 0 1031 64.029 4.338 3.884 1 U 0.212E+08 0.000E+00 e 0 0 0 0 1032 58.974 3.841 4.338 1 U 0.338E+08 0.000E+00 e 0 0 0 0 1033 64.029 3.841 3.841 1 U 0.224E+09 0.000E+00 e 0 0 0 0 1034 64.029 3.841 3.884 1 U 0.200E+09 0.000E+00 e 0 0 0 0 1035 58.974 3.884 4.338 1 U 0.411E+08 0.000E+00 e 0 0 0 0 1036 64.029 3.884 3.841 1 U 0.227E+09 0.000E+00 e 0 0 0 0 1037 64.029 3.884 3.884 1 U 0.228E+09 0.000E+00 e 0 0 0 0 1038 57.852 7.585 4.005 1 U 0.798E+07 0.000E+00 e 0 0 0 0 1039 58.974 7.585 4.338 1 U 0.126E+08 0.000E+00 e 0 0 0 0 1040 64.029 7.585 3.841 1 U 0.925E+07 0.000E+00 e 0 0 0 0 1041 64.029 7.585 3.884 1 U 0.103E+08 0.000E+00 e 0 0 0 0 1042 57.775 3.982 3.982 1 U 0.611E+09 0.000E+00 e 0 0 0 0 1043 33.953 3.982 1.824 1 U 0.766E+07 0.000E+00 e 0 0 0 0 1044 33.953 3.982 1.925 1 U 0.949E+07 0.000E+00 e 0 0 0 0 1045 32.360 3.982 2.263 1 U 0.283E+08 0.000E+00 e 0 0 0 0 1046 32.360 3.982 2.413 1 U 0.557E+07 0.000E+00 e 0 0 0 0 1047 57.775 1.824 3.982 1 U 0.265E+08 0.000E+00 e 0 0 0 0 1048 33.953 1.824 1.824 1 U 0.196E+09 0.000E+00 e 0 0 0 0 1049 33.953 1.824 1.925 1 U 0.895E+08 0.000E+00 e 0 0 0 0 1050 32.360 1.824 2.263 1 U 0.607E+08 0.000E+00 e 0 0 0 0 1051 32.360 1.824 2.413 1 U 0.688E+07 0.000E+00 e 0 0 0 0 1052 57.775 1.925 3.982 1 U 0.265E+08 0.000E+00 e 0 0 0 0 1053 33.953 1.925 1.824 1 U 0.108E+09 0.000E+00 e 0 0 0 0 1054 33.953 1.925 1.925 1 U 0.171E+09 0.000E+00 e 0 0 0 0 1055 32.360 1.925 2.263 1 U 0.293E+08 0.000E+00 e 0 0 0 0 1056 32.360 1.925 2.413 1 U 0.588E+07 0.000E+00 e 0 0 0 0 1057 57.775 2.263 3.982 1 U 0.131E+08 0.000E+00 e 0 0 0 0 1058 33.953 2.263 1.824 1 U 0.738E+07 0.000E+00 e 0 0 0 0 1059 33.953 2.263 1.925 1 U 0.668E+07 0.000E+00 e 0 0 0 0 1060 32.360 2.263 2.263 1 U 0.419E+09 0.000E+00 e 0 0 0 0 1061 32.360 2.263 2.413 1 U 0.760E+08 0.000E+00 e 0 0 0 0 1062 57.775 2.413 3.982 1 U 0.603E+07 0.000E+00 e 0 0 0 0 1063 33.953 2.413 1.824 1 U 0.737E+07 0.000E+00 e 0 0 0 0 1064 33.953 2.413 1.925 1 U 0.420E+07 0.000E+00 e 0 0 0 0 1065 32.360 2.413 2.263 1 U 0.726E+08 0.000E+00 e 0 0 0 0 1066 32.360 2.413 2.413 1 U 0.270E+09 0.000E+00 e 0 0 0 0 1067 58.974 7.168 4.338 1 U 0.963E+07 0.000E+00 e 0 0 0 0 1068 64.029 7.168 3.841 1 U 0.240E+07 0.000E+00 e 0 0 0 0 1069 64.029 7.168 3.884 1 U 0.361E+07 0.000E+00 e 0 0 0 0 1070 57.775 7.168 3.982 1 U 0.159E+08 0.000E+00 e 0 0 0 0 1071 33.953 7.168 1.824 1 U 0.103E+08 0.000E+00 e 0 0 0 0 1072 33.953 7.168 1.925 1 U 0.690E+07 0.000E+00 e 0 0 0 0 1073 32.360 7.168 2.263 1 U 0.441E+07 0.000E+00 e 0 0 0 0 1074 32.360 7.168 2.413 1 U 0.768E+07 0.000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _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.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C-aliphatic . 'not observed' 14085.647 Hz 42.66 . . 30249 2 2 H 1 H . 'not observed' 9627.692 Hz 4.71 . . 30249 2 3 H 1 H-aliphatic . 'not observed' 6016.322 Hz 4.71 . . 30249 2 stop_ save_