data_34946 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34946 _Entry.Title ; RNA binding domain of Turnip crinkle virus p38, p38R ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-06 _Entry.Accession_date 2024-08-06 _Entry.Last_release_date 2024-09-03 _Entry.Original_release_date 2024-09-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 U. Weininger U. . . . 34946 2 R. Golbik R. . . . 34946 3 I. Thondorf I. . . . 34946 4 S. Behrens S. E. . . 34946 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding protein' . 34946 'RNA interference (RNAi)' . 34946 'Turnip crinkle virus' . 34946 dsRNA . 34946 miRNA . 34946 'plant virus' . 34946 siRNA . 34946 'viral suppressor of RNA silencing (VSR)' . 34946 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34946 spectral_peak_list 1 34946 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 161 34946 '15N chemical shifts' 51 34946 '1H chemical shifts' 330 34946 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 . . 2025-08-14 . original BMRB . 34946 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9GDW 'BMRB Entry Tracking System' 34946 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34946 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; RNA binding domain of Turnip crinkle virus p38, p38R ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 U. Weininger U. . . . 34946 1 2 R. Golbik R. . . . 34946 1 3 I. Thondorf I. . . . 34946 1 4 S. Behrens S. E. . . 34946 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34946 _Assembly.ID 1 _Assembly.Name 'Capsid protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34946 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34946 _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 ; MENDPRVRKFASDGAQWAIK WQKKGWSTLTSRQKQTARAA MGIKL ; _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 45 _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 5187.014 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Coat protein' common 34946 1 p38 common 34946 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34946 1 2 . GLU . 34946 1 3 . ASN . 34946 1 4 . ASP . 34946 1 5 . PRO . 34946 1 6 . ARG . 34946 1 7 . VAL . 34946 1 8 . ARG . 34946 1 9 . LYS . 34946 1 10 . PHE . 34946 1 11 . ALA . 34946 1 12 . SER . 34946 1 13 . ASP . 34946 1 14 . GLY . 34946 1 15 . ALA . 34946 1 16 . GLN . 34946 1 17 . TRP . 34946 1 18 . ALA . 34946 1 19 . ILE . 34946 1 20 . LYS . 34946 1 21 . TRP . 34946 1 22 . GLN . 34946 1 23 . LYS . 34946 1 24 . LYS . 34946 1 25 . GLY . 34946 1 26 . TRP . 34946 1 27 . SER . 34946 1 28 . THR . 34946 1 29 . LEU . 34946 1 30 . THR . 34946 1 31 . SER . 34946 1 32 . ARG . 34946 1 33 . GLN . 34946 1 34 . LYS . 34946 1 35 . GLN . 34946 1 36 . THR . 34946 1 37 . ALA . 34946 1 38 . ARG . 34946 1 39 . ALA . 34946 1 40 . ALA . 34946 1 41 . MET . 34946 1 42 . GLY . 34946 1 43 . ILE . 34946 1 44 . LYS . 34946 1 45 . LEU . 34946 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 34946 1 . GLU 2 2 34946 1 . ASN 3 3 34946 1 . ASP 4 4 34946 1 . PRO 5 5 34946 1 . ARG 6 6 34946 1 . VAL 7 7 34946 1 . ARG 8 8 34946 1 . LYS 9 9 34946 1 . PHE 10 10 34946 1 . ALA 11 11 34946 1 . SER 12 12 34946 1 . ASP 13 13 34946 1 . GLY 14 14 34946 1 . ALA 15 15 34946 1 . GLN 16 16 34946 1 . TRP 17 17 34946 1 . ALA 18 18 34946 1 . ILE 19 19 34946 1 . LYS 20 20 34946 1 . TRP 21 21 34946 1 . GLN 22 22 34946 1 . LYS 23 23 34946 1 . LYS 24 24 34946 1 . GLY 25 25 34946 1 . TRP 26 26 34946 1 . SER 27 27 34946 1 . THR 28 28 34946 1 . LEU 29 29 34946 1 . THR 30 30 34946 1 . SER 31 31 34946 1 . ARG 32 32 34946 1 . GLN 33 33 34946 1 . LYS 34 34 34946 1 . GLN 35 35 34946 1 . THR 36 36 34946 1 . ALA 37 37 34946 1 . ARG 38 38 34946 1 . ALA 39 39 34946 1 . ALA 40 40 34946 1 . MET 41 41 34946 1 . GLY 42 42 34946 1 . ILE 43 43 34946 1 . LYS 44 44 34946 1 . LEU 45 45 34946 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 34946 _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 . 11988 organism . 'Turnip crinkle virus' 'Turnip crinkle virus' . . Viruses . Betacarmovirus brassicae . . . . . . . . . . . ORF4 . 34946 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 34946 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34946 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34946 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 34946 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34946 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 34946 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34946 1 pH 7.0 . pH 34946 1 pressure 1 . bar 34946 1 temperature 283 . K 34946 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34946 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34946 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34946 1 'peak picking' . 34946 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34946 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34946 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34946 2 'structure calculation' . 34946 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34946 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34946 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34946 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34946 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34946 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34946 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 34946 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 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 34946 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34946 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 34946 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34946 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 34946 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 34946 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34946 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 34946 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 34946 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34946 1 2 '2D 1H-13C HSQC aliphatic' . . . 34946 1 3 '2D 1H-13C HSQC aromatic' . . . 34946 1 4 '3D HNCACB' . . . 34946 1 5 '3D 1H-15N TOCSY' . . . 34946 1 6 '3D HCCH-TOCSY' . . . 34946 1 7 '3D 1H-15N NOESY' . . . 34946 1 8 '3D 1H-13C NOESY aliphatic' . . . 34946 1 9 '3D 1H-13C NOESY aromatic' . . . 34946 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 3.917 0.01 . 1 . . . . A 1 MET HA . 34946 1 2 . 1 . 1 1 1 MET HB2 H 1 1.871 0.01 . 1 . . . . A 1 MET HB2 . 34946 1 3 . 1 . 1 1 1 MET HB3 H 1 1.913 0.01 . 1 . . . . A 1 MET HB3 . 34946 1 4 . 1 . 1 1 1 MET HG2 H 1 2.336 0.01 . 1 . . . . A 1 MET HG2 . 34946 1 5 . 1 . 1 1 1 MET HG3 H 1 2.382 0.01 . 1 . . . . A 1 MET HG3 . 34946 1 6 . 1 . 1 1 1 MET HE1 H 1 1.982 0.01 . 1 . . . . A 1 MET HE1 . 34946 1 7 . 1 . 1 1 1 MET HE2 H 1 1.982 0.01 . 1 . . . . A 1 MET HE2 . 34946 1 8 . 1 . 1 1 1 MET HE3 H 1 1.982 0.01 . 1 . . . . A 1 MET HE3 . 34946 1 9 . 1 . 1 1 1 MET CA C 13 55.362 0.01 . 1 . . . . A 1 MET CA . 34946 1 10 . 1 . 1 1 1 MET CB C 13 33.759 0.01 . 1 . . . . A 1 MET CB . 34946 1 11 . 1 . 1 1 1 MET CG C 13 31.133 0.01 . 1 . . . . A 1 MET CG . 34946 1 12 . 1 . 1 1 1 MET CE C 13 16.960 0.01 . 1 . . . . A 1 MET CE . 34946 1 13 . 1 . 1 2 2 GLU H H 1 8.845 0.01 . 1 . . . . A 2 GLU H . 34946 1 14 . 1 . 1 2 2 GLU HA H 1 4.261 0.01 . 1 . . . . A 2 GLU HA . 34946 1 15 . 1 . 1 2 2 GLU HB2 H 1 1.914 0.01 . 1 . . . . A 2 GLU HB2 . 34946 1 16 . 1 . 1 2 2 GLU HB3 H 1 1.977 0.01 . 1 . . . . A 2 GLU HB3 . 34946 1 17 . 1 . 1 2 2 GLU HG2 H 1 2.193 0.01 . 2 . . . . A 2 GLU HG2 . 34946 1 18 . 1 . 1 2 2 GLU HG3 H 1 2.193 0.01 . 2 . . . . A 2 GLU HG3 . 34946 1 19 . 1 . 1 2 2 GLU CA C 13 56.636 0.01 . 1 . . . . A 2 GLU CA . 34946 1 20 . 1 . 1 2 2 GLU CB C 13 30.370 0.01 . 1 . . . . A 2 GLU CB . 34946 1 21 . 1 . 1 2 2 GLU CG C 13 36.203 0.01 . 1 . . . . A 2 GLU CG . 34946 1 22 . 1 . 1 2 2 GLU N N 15 123.848 0.01 . 1 . . . . A 2 GLU N . 34946 1 23 . 1 . 1 3 3 ASN H H 1 8.721 0.01 . 1 . . . . A 3 ASN H . 34946 1 24 . 1 . 1 3 3 ASN HA H 1 4.613 0.01 . 1 . . . . A 3 ASN HA . 34946 1 25 . 1 . 1 3 3 ASN HB2 H 1 2.665 0.01 . 1 . . . . A 3 ASN HB2 . 34946 1 26 . 1 . 1 3 3 ASN HB3 H 1 2.706 0.01 . 1 . . . . A 3 ASN HB3 . 34946 1 27 . 1 . 1 3 3 ASN HD21 H 1 7.628 0.01 . 1 . . . . A 3 ASN HD21 . 34946 1 28 . 1 . 1 3 3 ASN HD22 H 1 6.902 0.01 . 1 . . . . A 3 ASN HD22 . 34946 1 29 . 1 . 1 3 3 ASN CA C 13 53.172 0.01 . 1 . . . . A 3 ASN CA . 34946 1 30 . 1 . 1 3 3 ASN CB C 13 38.880 0.01 . 1 . . . . A 3 ASN CB . 34946 1 31 . 1 . 1 3 3 ASN N N 15 120.176 0.01 . 1 . . . . A 3 ASN N . 34946 1 32 . 1 . 1 3 3 ASN ND2 N 15 112.803 0.01 . 1 . . . . A 3 ASN ND2 . 34946 1 33 . 1 . 1 4 4 ASP H H 1 8.188 0.01 . 1 . . . . A 4 ASP H . 34946 1 34 . 1 . 1 4 4 ASP HA H 1 4.764 0.01 . 1 . . . . A 4 ASP HA . 34946 1 35 . 1 . 1 4 4 ASP HB2 H 1 2.588 0.01 . 1 . . . . A 4 ASP HB2 . 34946 1 36 . 1 . 1 4 4 ASP HB3 H 1 2.627 0.01 . 1 . . . . A 4 ASP HB3 . 34946 1 37 . 1 . 1 4 4 ASP CA C 13 52.542 0.01 . 1 . . . . A 4 ASP CA . 34946 1 38 . 1 . 1 4 4 ASP CB C 13 43.046 0.01 . 1 . . . . A 4 ASP CB . 34946 1 39 . 1 . 1 4 4 ASP N N 15 123.164 0.01 . 1 . . . . A 4 ASP N . 34946 1 40 . 1 . 1 5 5 PRO HA H 1 4.242 0.01 . 1 . . . . A 5 PRO HA . 34946 1 41 . 1 . 1 5 5 PRO HB2 H 1 1.972 0.01 . 1 . . . . A 5 PRO HB2 . 34946 1 42 . 1 . 1 5 5 PRO HB3 H 1 2.341 0.01 . 1 . . . . A 5 PRO HB3 . 34946 1 43 . 1 . 1 5 5 PRO HG2 H 1 2.035 0.01 . 5 1 . . . A 5 PRO HG2 . 34946 1 44 . 1 . 1 5 5 PRO HG3 H 1 2.035 0.01 . 5 1 . . . A 5 PRO HG3 . 34946 1 45 . 1 . 1 5 5 PRO HD2 H 1 3.812 0.01 . 1 . . . . A 5 PRO HD2 . 34946 1 46 . 1 . 1 5 5 PRO HD3 H 1 3.902 0.01 . 1 . . . . A 5 PRO HD3 . 34946 1 47 . 1 . 1 5 5 PRO CA C 13 64.902 0.01 . 1 . . . . A 5 PRO CA . 34946 1 48 . 1 . 1 5 5 PRO CB C 13 32.338 0.01 . 1 . . . . A 5 PRO CB . 34946 1 49 . 1 . 1 5 5 PRO CG C 13 27.429 0.01 . 5 2 . . . A 5 PRO CG . 34946 1 50 . 1 . 1 5 5 PRO CD C 13 51.510 0.01 . 1 . . . . A 5 PRO CD . 34946 1 51 . 1 . 1 6 6 ARG H H 1 8.948 0.01 . 1 . . . . A 6 ARG H . 34946 1 52 . 1 . 1 6 6 ARG HA H 1 4.054 0.01 . 5 1 . . . A 6 ARG HA . 34946 1 53 . 1 . 1 6 6 ARG HB2 H 1 1.943 0.01 . 2 . . . . A 6 ARG HB2 . 34946 1 54 . 1 . 1 6 6 ARG HB3 H 1 1.943 0.01 . 2 . . . . A 6 ARG HB3 . 34946 1 55 . 1 . 1 6 6 ARG HG2 H 1 1.810 0.01 . 2 . . . . A 6 ARG HG2 . 34946 1 56 . 1 . 1 6 6 ARG HG3 H 1 1.810 0.01 . 2 . . . . A 6 ARG HG3 . 34946 1 57 . 1 . 1 6 6 ARG HD2 H 1 3.274 0.01 . 1 . . . . A 6 ARG HD2 . 34946 1 58 . 1 . 1 6 6 ARG HD3 H 1 3.402 0.01 . 1 . . . . A 6 ARG HD3 . 34946 1 59 . 1 . 1 6 6 ARG HE H 1 7.768 0.01 . 1 . . . . A 6 ARG HE . 34946 1 60 . 1 . 1 6 6 ARG CA C 13 59.017 0.01 . 5 2 . . . A 6 ARG CA . 34946 1 61 . 1 . 1 6 6 ARG CB C 13 30.962 0.01 . 1 . . . . A 6 ARG CB . 34946 1 62 . 1 . 1 6 6 ARG CG C 13 27.157 0.01 . 1 . . . . A 6 ARG CG . 34946 1 63 . 1 . 1 6 6 ARG CD C 13 44.053 0.01 . 1 . . . . A 6 ARG CD . 34946 1 64 . 1 . 1 6 6 ARG N N 15 118.664 0.01 . 1 . . . . A 6 ARG N . 34946 1 65 . 1 . 1 7 7 VAL H H 1 7.599 0.01 . 1 . . . . A 7 VAL H . 34946 1 66 . 1 . 1 7 7 VAL HA H 1 3.463 0.01 . 1 . . . . A 7 VAL HA . 34946 1 67 . 1 . 1 7 7 VAL HB H 1 1.740 0.01 . 1 . . . . A 7 VAL HB . 34946 1 68 . 1 . 1 7 7 VAL HG11 H 1 0.499 0.01 . 1 . . . . A 7 VAL HG11 . 34946 1 69 . 1 . 1 7 7 VAL HG12 H 1 0.499 0.01 . 1 . . . . A 7 VAL HG12 . 34946 1 70 . 1 . 1 7 7 VAL HG13 H 1 0.499 0.01 . 1 . . . . A 7 VAL HG13 . 34946 1 71 . 1 . 1 7 7 VAL HG21 H 1 0.267 0.01 . 1 . . . . A 7 VAL HG21 . 34946 1 72 . 1 . 1 7 7 VAL HG22 H 1 0.267 0.01 . 1 . . . . A 7 VAL HG22 . 34946 1 73 . 1 . 1 7 7 VAL HG23 H 1 0.267 0.01 . 1 . . . . A 7 VAL HG23 . 34946 1 74 . 1 . 1 7 7 VAL CA C 13 67.323 0.01 . 1 . . . . A 7 VAL CA . 34946 1 75 . 1 . 1 7 7 VAL CB C 13 31.565 0.01 . 1 . . . . A 7 VAL CB . 34946 1 76 . 1 . 1 7 7 VAL CG1 C 13 21.719 0.01 . 1 . . . . A 7 VAL CG1 . 34946 1 77 . 1 . 1 7 7 VAL CG2 C 13 22.383 0.01 . 1 . . . . A 7 VAL CG2 . 34946 1 78 . 1 . 1 7 7 VAL N N 15 119.413 0.01 . 1 . . . . A 7 VAL N . 34946 1 79 . 1 . 1 8 8 ARG H H 1 7.533 0.01 . 1 . . . . A 8 ARG H . 34946 1 80 . 1 . 1 8 8 ARG HA H 1 3.810 0.01 . 1 . . . . A 8 ARG HA . 34946 1 81 . 1 . 1 8 8 ARG HB2 H 1 1.758 0.01 . 2 . . . . A 8 ARG HB2 . 34946 1 82 . 1 . 1 8 8 ARG HB3 H 1 1.758 0.01 . 2 . . . . A 8 ARG HB3 . 34946 1 83 . 1 . 1 8 8 ARG HG2 H 1 1.512 0.01 . 1 . . . . A 8 ARG HG2 . 34946 1 84 . 1 . 1 8 8 ARG HG3 H 1 1.612 0.01 . 5 1 . . . A 8 ARG HG3 . 34946 1 85 . 1 . 1 8 8 ARG HD2 H 1 3.123 0.01 . 5 1 . . . A 8 ARG HD2 . 34946 1 86 . 1 . 1 8 8 ARG HD3 H 1 3.123 0.01 . 5 1 . . . A 8 ARG HD3 . 34946 1 87 . 1 . 1 8 8 ARG CA C 13 59.405 0.01 . 1 . . . . A 8 ARG CA . 34946 1 88 . 1 . 1 8 8 ARG CB C 13 30.043 0.01 . 1 . . . . A 8 ARG CB . 34946 1 89 . 1 . 1 8 8 ARG CG C 13 27.122 0.01 . 1 . . . . A 8 ARG CG . 34946 1 90 . 1 . 1 8 8 ARG CD C 13 43.545 0.01 . 5 2 . . . A 8 ARG CD . 34946 1 91 . 1 . 1 8 8 ARG N N 15 117.798 0.01 . 1 . . . . A 8 ARG N . 34946 1 92 . 1 . 1 9 9 LYS H H 1 7.441 0.01 . 1 . . . . A 9 LYS H . 34946 1 93 . 1 . 1 9 9 LYS HA H 1 3.995 0.01 . 5 1 . . . A 9 LYS HA . 34946 1 94 . 1 . 1 9 9 LYS HB2 H 1 1.736 0.01 . 2 . . . . A 9 LYS HB2 . 34946 1 95 . 1 . 1 9 9 LYS HB3 H 1 1.736 0.01 . 2 . . . . A 9 LYS HB3 . 34946 1 96 . 1 . 1 9 9 LYS HG2 H 1 1.193 0.01 . 2 . . . . A 9 LYS HG2 . 34946 1 97 . 1 . 1 9 9 LYS HG3 H 1 1.193 0.01 . 2 . . . . A 9 LYS HG3 . 34946 1 98 . 1 . 1 9 9 LYS HD2 H 1 1.348 0.01 . 1 . . . . A 9 LYS HD2 . 34946 1 99 . 1 . 1 9 9 LYS HD3 H 1 1.422 0.01 . 1 . . . . A 9 LYS HD3 . 34946 1 100 . 1 . 1 9 9 LYS HE2 H 1 2.730 0.01 . 1 . . . . A 9 LYS HE2 . 34946 1 101 . 1 . 1 9 9 LYS HE3 H 1 2.805 0.01 . 1 . . . . A 9 LYS HE3 . 34946 1 102 . 1 . 1 9 9 LYS CA C 13 59.125 0.01 . 5 2 . . . A 9 LYS CA . 34946 1 103 . 1 . 1 9 9 LYS CB C 13 31.880 0.01 . 1 . . . . A 9 LYS CB . 34946 1 104 . 1 . 1 9 9 LYS CG C 13 24.705 0.01 . 1 . . . . A 9 LYS CG . 34946 1 105 . 1 . 1 9 9 LYS CD C 13 28.524 0.01 . 1 . . . . A 9 LYS CD . 34946 1 106 . 1 . 1 9 9 LYS CE C 13 42.252 0.01 . 1 . . . . A 9 LYS CE . 34946 1 107 . 1 . 1 9 9 LYS N N 15 120.898 0.01 . 1 . . . . A 9 LYS N . 34946 1 108 . 1 . 1 10 10 PHE H H 1 7.829 0.01 . 1 . . . . A 10 PHE H . 34946 1 109 . 1 . 1 10 10 PHE HA H 1 4.253 0.01 . 1 . . . . A 10 PHE HA . 34946 1 110 . 1 . 1 10 10 PHE HB2 H 1 2.400 0.01 . 1 . . . . A 10 PHE HB2 . 34946 1 111 . 1 . 1 10 10 PHE HB3 H 1 2.483 0.01 . 1 . . . . A 10 PHE HB3 . 34946 1 112 . 1 . 1 10 10 PHE HD1 H 1 7.492 0.01 . . . . . . A 10 PHE HD1 . 34946 1 113 . 1 . 1 10 10 PHE HD2 H 1 7.492 0.01 . . . . . . A 10 PHE HD2 . 34946 1 114 . 1 . 1 10 10 PHE HE1 H 1 7.458 0.01 . . . . . . A 10 PHE HE1 . 34946 1 115 . 1 . 1 10 10 PHE HE2 H 1 7.458 0.01 . . . . . . A 10 PHE HE2 . 34946 1 116 . 1 . 1 10 10 PHE HZ H 1 7.429 0.01 . 1 . . . . A 10 PHE HZ . 34946 1 117 . 1 . 1 10 10 PHE CA C 13 62.170 0.01 . 1 . . . . A 10 PHE CA . 34946 1 118 . 1 . 1 10 10 PHE CB C 13 39.237 0.01 . 1 . . . . A 10 PHE CB . 34946 1 119 . 1 . 1 10 10 PHE CD1 C 13 132.711 0.01 . . . . . . A 10 PHE CD1 . 34946 1 120 . 1 . 1 10 10 PHE CD2 C 13 132.712 0.01 . . . . . . A 10 PHE CD2 . 34946 1 121 . 1 . 1 10 10 PHE CE1 C 13 131.442 0.01 . . . . . . A 10 PHE CE1 . 34946 1 122 . 1 . 1 10 10 PHE CE2 C 13 131.443 0.01 . . . . . . A 10 PHE CE2 . 34946 1 123 . 1 . 1 10 10 PHE CZ C 13 130.695 0.01 . 1 . . . . A 10 PHE CZ . 34946 1 124 . 1 . 1 10 10 PHE N N 15 117.785 0.01 . 1 . . . . A 10 PHE N . 34946 1 125 . 1 . 1 11 11 ALA H H 1 8.456 0.01 . 1 . . . . A 11 ALA H . 34946 1 126 . 1 . 1 11 11 ALA HA H 1 3.917 0.01 . 1 . . . . A 11 ALA HA . 34946 1 127 . 1 . 1 11 11 ALA HB1 H 1 1.161 0.01 . 1 . . . . A 11 ALA HB1 . 34946 1 128 . 1 . 1 11 11 ALA HB2 H 1 1.161 0.01 . 1 . . . . A 11 ALA HB2 . 34946 1 129 . 1 . 1 11 11 ALA HB3 H 1 1.161 0.01 . 1 . . . . A 11 ALA HB3 . 34946 1 130 . 1 . 1 11 11 ALA CA C 13 55.362 0.01 . 1 . . . . A 11 ALA CA . 34946 1 131 . 1 . 1 11 11 ALA CB C 13 17.701 0.01 . 1 . . . . A 11 ALA CB . 34946 1 132 . 1 . 1 11 11 ALA N N 15 122.101 0.01 . 1 . . . . A 11 ALA N . 34946 1 133 . 1 . 1 12 12 SER H H 1 8.349 0.01 . 1 . . . . A 12 SER H . 34946 1 134 . 1 . 1 12 12 SER HA H 1 4.109 0.01 . 1 . . . . A 12 SER HA . 34946 1 135 . 1 . 1 12 12 SER HB2 H 1 3.967 0.01 . 2 . . . . A 12 SER HB2 . 34946 1 136 . 1 . 1 12 12 SER HB3 H 1 3.967 0.01 . 2 . . . . A 12 SER HB3 . 34946 1 137 . 1 . 1 12 12 SER CA C 13 61.693 0.01 . 1 . . . . A 12 SER CA . 34946 1 138 . 1 . 1 12 12 SER CB C 13 62.765 0.01 . 1 . . . . A 12 SER CB . 34946 1 139 . 1 . 1 12 12 SER N N 15 117.759 0.01 . 1 . . . . A 12 SER N . 34946 1 140 . 1 . 1 13 13 ASP H H 1 7.681 0.01 . 1 . . . . A 13 ASP H . 34946 1 141 . 1 . 1 13 13 ASP HA H 1 4.621 0.01 . 1 . . . . A 13 ASP HA . 34946 1 142 . 1 . 1 13 13 ASP HB2 H 1 2.791 0.01 . 1 . . . . A 13 ASP HB2 . 34946 1 143 . 1 . 1 13 13 ASP HB3 H 1 2.850 0.01 . 1 . . . . A 13 ASP HB3 . 34946 1 144 . 1 . 1 13 13 ASP CA C 13 54.942 0.01 . 1 . . . . A 13 ASP CA . 34946 1 145 . 1 . 1 13 13 ASP CB C 13 40.962 0.01 . 1 . . . . A 13 ASP CB . 34946 1 146 . 1 . 1 13 13 ASP N N 15 120.030 0.01 . 1 . . . . A 13 ASP N . 34946 1 147 . 1 . 1 14 14 GLY H H 1 7.815 0.01 . 1 . . . . A 14 GLY H . 34946 1 148 . 1 . 1 14 14 GLY HA2 H 1 3.559 0.01 . 1 . . . . A 14 GLY HA2 . 34946 1 149 . 1 . 1 14 14 GLY HA3 H 1 4.259 0.01 . 1 . . . . A 14 GLY HA3 . 34946 1 150 . 1 . 1 14 14 GLY CA C 13 45.329 0.01 . 1 . . . . A 14 GLY CA . 34946 1 151 . 1 . 1 14 14 GLY N N 15 107.285 0.01 . 1 . . . . A 14 GLY N . 34946 1 152 . 1 . 1 15 15 ALA H H 1 7.803 0.01 . 1 . . . . A 15 ALA H . 34946 1 153 . 1 . 1 15 15 ALA HA H 1 4.303 0.01 . 1 . . . . A 15 ALA HA . 34946 1 154 . 1 . 1 15 15 ALA HB1 H 1 0.847 0.01 . 5 1 . . . A 15 ALA HB1 . 34946 1 155 . 1 . 1 15 15 ALA HB2 H 1 0.847 0.01 . 5 1 . . . A 15 ALA HB2 . 34946 1 156 . 1 . 1 15 15 ALA HB3 H 1 0.847 0.01 . 5 1 . . . A 15 ALA HB3 . 34946 1 157 . 1 . 1 15 15 ALA CA C 13 52.276 0.01 . 1 . . . . A 15 ALA CA . 34946 1 158 . 1 . 1 15 15 ALA CB C 13 17.434 0.01 . 5 2 . . . A 15 ALA CB . 34946 1 159 . 1 . 1 15 15 ALA N N 15 124.035 0.01 . 1 . . . . A 15 ALA N . 34946 1 160 . 1 . 1 16 16 GLN H H 1 9.319 0.01 . 1 . . . . A 16 GLN H . 34946 1 161 . 1 . 1 16 16 GLN HA H 1 3.853 0.01 . 1 . . . . A 16 GLN HA . 34946 1 162 . 1 . 1 16 16 GLN HB2 H 1 2.158 0.01 . 1 . . . . A 16 GLN HB2 . 34946 1 163 . 1 . 1 16 16 GLN HB3 H 1 2.270 0.01 . 1 . . . . A 16 GLN HB3 . 34946 1 164 . 1 . 1 16 16 GLN HG2 H 1 2.493 0.01 . 2 . . . . A 16 GLN HG2 . 34946 1 165 . 1 . 1 16 16 GLN HG3 H 1 2.493 0.01 . 2 . . . . A 16 GLN HG3 . 34946 1 166 . 1 . 1 16 16 GLN HE21 H 1 7.661 0.01 . 1 . . . . A 16 GLN HE21 . 34946 1 167 . 1 . 1 16 16 GLN HE22 H 1 7.005 0.01 . 1 . . . . A 16 GLN HE22 . 34946 1 168 . 1 . 1 16 16 GLN CA C 13 59.701 0.01 . 1 . . . . A 16 GLN CA . 34946 1 169 . 1 . 1 16 16 GLN CB C 13 28.010 0.01 . 1 . . . . A 16 GLN CB . 34946 1 170 . 1 . 1 16 16 GLN CG C 13 34.137 0.01 . 1 . . . . A 16 GLN CG . 34946 1 171 . 1 . 1 16 16 GLN N N 15 127.395 0.01 . 1 . . . . A 16 GLN N . 34946 1 172 . 1 . 1 16 16 GLN NE2 N 15 113.337 0.01 . 1 . . . . A 16 GLN NE2 . 34946 1 173 . 1 . 1 17 17 TRP H H 1 7.822 0.01 . 1 . . . . A 17 TRP H . 34946 1 174 . 1 . 1 17 17 TRP HA H 1 4.047 0.01 . 1 . . . . A 17 TRP HA . 34946 1 175 . 1 . 1 17 17 TRP HB2 H 1 3.275 0.01 . 1 . . . . A 17 TRP HB2 . 34946 1 176 . 1 . 1 17 17 TRP HB3 H 1 3.330 0.01 . 1 . . . . A 17 TRP HB3 . 34946 1 177 . 1 . 1 17 17 TRP HD1 H 1 7.745 0.01 . 1 . . . . A 17 TRP HD1 . 34946 1 178 . 1 . 1 17 17 TRP HE1 H 1 10.793 0.01 . 1 . . . . A 17 TRP HE1 . 34946 1 179 . 1 . 1 17 17 TRP HE3 H 1 7.514 0.01 . 5 1 . . . A 17 TRP HE3 . 34946 1 180 . 1 . 1 17 17 TRP HZ2 H 1 6.253 0.01 . 1 . . . . A 17 TRP HZ2 . 34946 1 181 . 1 . 1 17 17 TRP HZ3 H 1 7.410 0.01 . 1 . . . . A 17 TRP HZ3 . 34946 1 182 . 1 . 1 17 17 TRP HH2 H 1 6.632 0.01 . 1 . . . . A 17 TRP HH2 . 34946 1 183 . 1 . 1 17 17 TRP CA C 13 58.388 0.01 . 1 . . . . A 17 TRP CA . 34946 1 184 . 1 . 1 17 17 TRP CB C 13 27.678 0.01 . 1 . . . . A 17 TRP CB . 34946 1 185 . 1 . 1 17 17 TRP CD1 C 13 128.559 0.01 . 1 . . . . A 17 TRP CD1 . 34946 1 186 . 1 . 1 17 17 TRP CE3 C 13 120.719 0.01 . 5 2 . . . A 17 TRP CE3 . 34946 1 187 . 1 . 1 17 17 TRP CZ2 C 13 114.743 0.01 . 1 . . . . A 17 TRP CZ2 . 34946 1 188 . 1 . 1 17 17 TRP CZ3 C 13 121.496 0.01 . 1 . . . . A 17 TRP CZ3 . 34946 1 189 . 1 . 1 17 17 TRP CH2 C 13 124.502 0.01 . 1 . . . . A 17 TRP CH2 . 34946 1 190 . 1 . 1 17 17 TRP N N 15 116.281 0.01 . 1 . . . . A 17 TRP N . 34946 1 191 . 1 . 1 17 17 TRP NE1 N 15 132.072 0.01 . 1 . . . . A 17 TRP NE1 . 34946 1 192 . 1 . 1 18 18 ALA H H 1 5.406 0.01 . 1 . . . . A 18 ALA H . 34946 1 193 . 1 . 1 18 18 ALA HA H 1 3.920 0.01 . 1 . . . . A 18 ALA HA . 34946 1 194 . 1 . 1 18 18 ALA HB1 H 1 0.294 0.01 . 1 . . . . A 18 ALA HB1 . 34946 1 195 . 1 . 1 18 18 ALA HB2 H 1 0.294 0.01 . 1 . . . . A 18 ALA HB2 . 34946 1 196 . 1 . 1 18 18 ALA HB3 H 1 0.294 0.01 . 1 . . . . A 18 ALA HB3 . 34946 1 197 . 1 . 1 18 18 ALA CA C 13 54.859 0.01 . 1 . . . . A 18 ALA CA . 34946 1 198 . 1 . 1 18 18 ALA CB C 13 18.414 0.01 . 1 . . . . A 18 ALA CB . 34946 1 199 . 1 . 1 18 18 ALA N N 15 126.173 0.01 . 1 . . . . A 18 ALA N . 34946 1 200 . 1 . 1 19 19 ILE H H 1 7.716 0.01 . 1 . . . . A 19 ILE H . 34946 1 201 . 1 . 1 19 19 ILE HA H 1 3.522 0.01 . 1 . . . . A 19 ILE HA . 34946 1 202 . 1 . 1 19 19 ILE HB H 1 1.626 0.01 . 1 . . . . A 19 ILE HB . 34946 1 203 . 1 . 1 19 19 ILE HG12 H 1 0.894 0.01 . 1 . . . . A 19 ILE HG12 . 34946 1 204 . 1 . 1 19 19 ILE HG13 H 1 1.622 0.01 . 1 . . . . A 19 ILE HG13 . 34946 1 205 . 1 . 1 19 19 ILE HG21 H 1 0.852 0.01 . 1 . . . . A 19 ILE HG21 . 34946 1 206 . 1 . 1 19 19 ILE HG22 H 1 0.852 0.01 . 1 . . . . A 19 ILE HG22 . 34946 1 207 . 1 . 1 19 19 ILE HG23 H 1 0.852 0.01 . 1 . . . . A 19 ILE HG23 . 34946 1 208 . 1 . 1 19 19 ILE HD11 H 1 0.711 0.01 . 1 . . . . A 19 ILE HD11 . 34946 1 209 . 1 . 1 19 19 ILE HD12 H 1 0.711 0.01 . 1 . . . . A 19 ILE HD12 . 34946 1 210 . 1 . 1 19 19 ILE HD13 H 1 0.711 0.01 . 1 . . . . A 19 ILE HD13 . 34946 1 211 . 1 . 1 19 19 ILE CA C 13 65.384 0.01 . 1 . . . . A 19 ILE CA . 34946 1 212 . 1 . 1 19 19 ILE CB C 13 39.067 0.01 . 1 . . . . A 19 ILE CB . 34946 1 213 . 1 . 1 19 19 ILE CG1 C 13 29.889 0.01 . 1 . . . . A 19 ILE CG1 . 34946 1 214 . 1 . 1 19 19 ILE CG2 C 13 16.933 0.01 . 1 . . . . A 19 ILE CG2 . 34946 1 215 . 1 . 1 19 19 ILE CD1 C 13 13.760 0.01 . 1 . . . . A 19 ILE CD1 . 34946 1 216 . 1 . 1 19 19 ILE N N 15 120.357 0.01 . 1 . . . . A 19 ILE N . 34946 1 217 . 1 . 1 20 20 LYS H H 1 8.074 0.01 . 1 . . . . A 20 LYS H . 34946 1 218 . 1 . 1 20 20 LYS HA H 1 3.974 0.01 . 1 . . . . A 20 LYS HA . 34946 1 219 . 1 . 1 20 20 LYS HB2 H 1 1.786 0.01 . 2 . . . . A 20 LYS HB2 . 34946 1 220 . 1 . 1 20 20 LYS HB3 H 1 1.786 0.01 . 2 . . . . A 20 LYS HB3 . 34946 1 221 . 1 . 1 20 20 LYS HG2 H 1 1.404 0.01 . 2 . . . . A 20 LYS HG2 . 34946 1 222 . 1 . 1 20 20 LYS HG3 H 1 1.404 0.01 . 2 . . . . A 20 LYS HG3 . 34946 1 223 . 1 . 1 20 20 LYS HD2 H 1 1.529 0.01 . 2 . . . . A 20 LYS HD2 . 34946 1 224 . 1 . 1 20 20 LYS HD3 H 1 1.529 0.01 . 2 . . . . A 20 LYS HD3 . 34946 1 225 . 1 . 1 20 20 LYS HE2 H 1 2.951 0.01 . 5 1 . . . A 20 LYS HE2 . 34946 1 226 . 1 . 1 20 20 LYS HE3 H 1 2.951 0.01 . 5 1 . . . A 20 LYS HE3 . 34946 1 227 . 1 . 1 20 20 LYS CA C 13 59.734 0.01 . 1 . . . . A 20 LYS CA . 34946 1 228 . 1 . 1 20 20 LYS CB C 13 32.642 0.01 . 1 . . . . A 20 LYS CB . 34946 1 229 . 1 . 1 20 20 LYS CG C 13 25.410 0.01 . 1 . . . . A 20 LYS CG . 34946 1 230 . 1 . 1 20 20 LYS CD C 13 29.956 0.01 . 1 . . . . A 20 LYS CD . 34946 1 231 . 1 . 1 20 20 LYS CE C 13 42.199 0.01 . 5 2 . . . A 20 LYS CE . 34946 1 232 . 1 . 1 20 20 LYS N N 15 118.778 0.01 . 1 . . . . A 20 LYS N . 34946 1 233 . 1 . 1 21 21 TRP H H 1 8.223 0.01 . 1 . . . . A 21 TRP H . 34946 1 234 . 1 . 1 21 21 TRP HA H 1 4.159 0.01 . 1 . . . . A 21 TRP HA . 34946 1 235 . 1 . 1 21 21 TRP HB2 H 1 3.598 0.01 . 1 . . . . A 21 TRP HB2 . 34946 1 236 . 1 . 1 21 21 TRP HB3 H 1 3.874 0.01 . 1 . . . . A 21 TRP HB3 . 34946 1 237 . 1 . 1 21 21 TRP HD1 H 1 6.863 0.01 . 1 . . . . A 21 TRP HD1 . 34946 1 238 . 1 . 1 21 21 TRP HE1 H 1 10.236 0.01 . 1 . . . . A 21 TRP HE1 . 34946 1 239 . 1 . 1 21 21 TRP HE3 H 1 7.514 0.01 . 5 1 . . . A 21 TRP HE3 . 34946 1 240 . 1 . 1 21 21 TRP HZ2 H 1 7.135 0.01 . 1 . . . . A 21 TRP HZ2 . 34946 1 241 . 1 . 1 21 21 TRP HZ3 H 1 6.027 0.01 . 1 . . . . A 21 TRP HZ3 . 34946 1 242 . 1 . 1 21 21 TRP HH2 H 1 6.740 0.01 . 1 . . . . A 21 TRP HH2 . 34946 1 243 . 1 . 1 21 21 TRP CA C 13 59.028 0.01 . 1 . . . . A 21 TRP CA . 34946 1 244 . 1 . 1 21 21 TRP CB C 13 30.250 0.01 . 1 . . . . A 21 TRP CB . 34946 1 245 . 1 . 1 21 21 TRP CD1 C 13 127.230 0.01 . 1 . . . . A 21 TRP CD1 . 34946 1 246 . 1 . 1 21 21 TRP CE3 C 13 120.719 0.01 . 5 2 . . . A 21 TRP CE3 . 34946 1 247 . 1 . 1 21 21 TRP CZ2 C 13 113.443 0.01 . 1 . . . . A 21 TRP CZ2 . 34946 1 248 . 1 . 1 21 21 TRP CZ3 C 13 121.483 0.01 . 1 . . . . A 21 TRP CZ3 . 34946 1 249 . 1 . 1 21 21 TRP CH2 C 13 123.254 0.01 . 1 . . . . A 21 TRP CH2 . 34946 1 250 . 1 . 1 21 21 TRP N N 15 121.455 0.01 . 1 . . . . A 21 TRP N . 34946 1 251 . 1 . 1 21 21 TRP NE1 N 15 128.978 0.01 . 1 . . . . A 21 TRP NE1 . 34946 1 252 . 1 . 1 22 22 GLN H H 1 8.427 0.01 . 1 . . . . A 22 GLN H . 34946 1 253 . 1 . 1 22 22 GLN HA H 1 3.925 0.01 . 1 . . . . A 22 GLN HA . 34946 1 254 . 1 . 1 22 22 GLN HB2 H 1 2.023 0.01 . 2 . . . . A 22 GLN HB2 . 34946 1 255 . 1 . 1 22 22 GLN HB3 H 1 2.023 0.01 . 2 . . . . A 22 GLN HB3 . 34946 1 256 . 1 . 1 22 22 GLN HG2 H 1 2.104 0.01 . 1 . . . . A 22 GLN HG2 . 34946 1 257 . 1 . 1 22 22 GLN HG3 H 1 2.246 0.01 . 1 . . . . A 22 GLN HG3 . 34946 1 258 . 1 . 1 22 22 GLN HE21 H 1 7.255 0.01 . 1 . . . . A 22 GLN HE21 . 34946 1 259 . 1 . 1 22 22 GLN HE22 H 1 6.684 0.01 . 1 . . . . A 22 GLN HE22 . 34946 1 260 . 1 . 1 22 22 GLN CA C 13 59.452 0.01 . 1 . . . . A 22 GLN CA . 34946 1 261 . 1 . 1 22 22 GLN CB C 13 29.671 0.01 . 1 . . . . A 22 GLN CB . 34946 1 262 . 1 . 1 22 22 GLN CG C 13 34.514 0.01 . 1 . . . . A 22 GLN CG . 34946 1 263 . 1 . 1 22 22 GLN N N 15 116.984 0.01 . 1 . . . . A 22 GLN N . 34946 1 264 . 1 . 1 22 22 GLN NE2 N 15 109.657 0.01 . 1 . . . . A 22 GLN NE2 . 34946 1 265 . 1 . 1 23 23 LYS H H 1 8.211 0.01 . 1 . . . . A 23 LYS H . 34946 1 266 . 1 . 1 23 23 LYS HA H 1 4.226 0.01 . 1 . . . . A 23 LYS HA . 34946 1 267 . 1 . 1 23 23 LYS HB2 H 1 1.828 0.01 . 1 . . . . A 23 LYS HB2 . 34946 1 268 . 1 . 1 23 23 LYS HB3 H 1 1.929 0.01 . 1 . . . . A 23 LYS HB3 . 34946 1 269 . 1 . 1 23 23 LYS HG2 H 1 1.427 0.01 . 1 . . . . A 23 LYS HG2 . 34946 1 270 . 1 . 1 23 23 LYS HG3 H 1 1.583 0.01 . 1 . . . . A 23 LYS HG3 . 34946 1 271 . 1 . 1 23 23 LYS HD2 H 1 1.632 0.01 . 2 . . . . A 23 LYS HD2 . 34946 1 272 . 1 . 1 23 23 LYS HD3 H 1 1.632 0.01 . 2 . . . . A 23 LYS HD3 . 34946 1 273 . 1 . 1 23 23 LYS HE2 H 1 2.895 0.01 . 2 . . . . A 23 LYS HE2 . 34946 1 274 . 1 . 1 23 23 LYS HE3 H 1 2.895 0.01 . 2 . . . . A 23 LYS HE3 . 34946 1 275 . 1 . 1 23 23 LYS CA C 13 58.892 0.01 . 1 . . . . A 23 LYS CA . 34946 1 276 . 1 . 1 23 23 LYS CB C 13 34.266 0.01 . 1 . . . . A 23 LYS CB . 34946 1 277 . 1 . 1 23 23 LYS CG C 13 25.585 0.01 . 1 . . . . A 23 LYS CG . 34946 1 278 . 1 . 1 23 23 LYS CD C 13 29.203 0.01 . 1 . . . . A 23 LYS CD . 34946 1 279 . 1 . 1 23 23 LYS CE C 13 42.135 0.01 . 1 . . . . A 23 LYS CE . 34946 1 280 . 1 . 1 23 23 LYS N N 15 116.056 0.01 . 1 . . . . A 23 LYS N . 34946 1 281 . 1 . 1 24 24 LYS H H 1 8.774 0.01 . 1 . . . . A 24 LYS H . 34946 1 282 . 1 . 1 24 24 LYS HA H 1 4.644 0.01 . 1 . . . . A 24 LYS HA . 34946 1 283 . 1 . 1 24 24 LYS HB2 H 1 2.003 0.01 . 5 1 . . . A 24 LYS HB2 . 34946 1 284 . 1 . 1 24 24 LYS HB3 H 1 2.003 0.01 . 5 1 . . . A 24 LYS HB3 . 34946 1 285 . 1 . 1 24 24 LYS HG2 H 1 1.353 0.01 . 1 . . . . A 24 LYS HG2 . 34946 1 286 . 1 . 1 24 24 LYS HG3 H 1 1.477 0.01 . 1 . . . . A 24 LYS HG3 . 34946 1 287 . 1 . 1 24 24 LYS HD2 H 1 1.701 0.01 . 2 . . . . A 24 LYS HD2 . 34946 1 288 . 1 . 1 24 24 LYS HD3 H 1 1.701 0.01 . 2 . . . . A 24 LYS HD3 . 34946 1 289 . 1 . 1 24 24 LYS HE2 H 1 2.951 0.01 . 5 1 . . . A 24 LYS HE2 . 34946 1 290 . 1 . 1 24 24 LYS HE3 H 1 2.951 0.01 . 5 1 . . . A 24 LYS HE3 . 34946 1 291 . 1 . 1 24 24 LYS CA C 13 56.162 0.01 . 1 . . . . A 24 LYS CA . 34946 1 292 . 1 . 1 24 24 LYS CB C 13 33.747 0.01 . 1 . . . . A 24 LYS CB . 34946 1 293 . 1 . 1 24 24 LYS CG C 13 25.267 0.01 . 1 . . . . A 24 LYS CG . 34946 1 294 . 1 . 1 24 24 LYS CD C 13 29.124 0.01 . 1 . . . . A 24 LYS CD . 34946 1 295 . 1 . 1 24 24 LYS CE C 13 42.199 0.01 . 5 2 . . . A 24 LYS CE . 34946 1 296 . 1 . 1 24 24 LYS N N 15 116.023 0.01 . 1 . . . . A 24 LYS N . 34946 1 297 . 1 . 1 25 25 GLY H H 1 8.092 0.01 . 1 . . . . A 25 GLY H . 34946 1 298 . 1 . 1 25 25 GLY HA2 H 1 4.296 0.01 . 1 . . . . A 25 GLY HA2 . 34946 1 299 . 1 . 1 25 25 GLY HA3 H 1 4.845 0.01 . 1 . . . . A 25 GLY HA3 . 34946 1 300 . 1 . 1 25 25 GLY CA C 13 44.825 0.01 . 1 . . . . A 25 GLY CA . 34946 1 301 . 1 . 1 25 25 GLY N N 15 109.361 0.01 . 1 . . . . A 25 GLY N . 34946 1 302 . 1 . 1 26 26 TRP H H 1 9.212 0.01 . 1 . . . . A 26 TRP H . 34946 1 303 . 1 . 1 26 26 TRP HA H 1 3.592 0.01 . 1 . . . . A 26 TRP HA . 34946 1 304 . 1 . 1 26 26 TRP HB2 H 1 2.760 0.01 . 1 . . . . A 26 TRP HB2 . 34946 1 305 . 1 . 1 26 26 TRP HB3 H 1 2.924 0.01 . 1 . . . . A 26 TRP HB3 . 34946 1 306 . 1 . 1 26 26 TRP HD1 H 1 7.637 0.01 . 1 . . . . A 26 TRP HD1 . 34946 1 307 . 1 . 1 26 26 TRP HE1 H 1 10.307 0.01 . 1 . . . . A 26 TRP HE1 . 34946 1 308 . 1 . 1 26 26 TRP HE3 H 1 7.933 0.01 . 1 . . . . A 26 TRP HE3 . 34946 1 309 . 1 . 1 26 26 TRP HZ2 H 1 7.343 0.01 . 1 . . . . A 26 TRP HZ2 . 34946 1 310 . 1 . 1 26 26 TRP HZ3 H 1 7.285 0.01 . 1 . . . . A 26 TRP HZ3 . 34946 1 311 . 1 . 1 26 26 TRP HH2 H 1 6.989 0.01 . 1 . . . . A 26 TRP HH2 . 34946 1 312 . 1 . 1 26 26 TRP CA C 13 60.264 0.01 . 1 . . . . A 26 TRP CA . 34946 1 313 . 1 . 1 26 26 TRP CB C 13 29.930 0.01 . 1 . . . . A 26 TRP CB . 34946 1 314 . 1 . 1 26 26 TRP CD1 C 13 124.096 0.01 . 1 . . . . A 26 TRP CD1 . 34946 1 315 . 1 . 1 26 26 TRP CE3 C 13 119.782 0.01 . 1 . . . . A 26 TRP CE3 . 34946 1 316 . 1 . 1 26 26 TRP CZ2 C 13 115.176 0.01 . 1 . . . . A 26 TRP CZ2 . 34946 1 317 . 1 . 1 26 26 TRP CZ3 C 13 122.928 0.01 . 1 . . . . A 26 TRP CZ3 . 34946 1 318 . 1 . 1 26 26 TRP CH2 C 13 125.321 0.01 . 1 . . . . A 26 TRP CH2 . 34946 1 319 . 1 . 1 26 26 TRP N N 15 126.002 0.01 . 1 . . . . A 26 TRP N . 34946 1 320 . 1 . 1 26 26 TRP NE1 N 15 128.250 0.01 . 1 . . . . A 26 TRP NE1 . 34946 1 321 . 1 . 1 27 27 SER H H 1 8.621 0.01 . 1 . . . . A 27 SER H . 34946 1 322 . 1 . 1 27 27 SER HA H 1 3.889 0.01 . 1 . . . . A 27 SER HA . 34946 1 323 . 1 . 1 27 27 SER HB2 H 1 3.950 0.01 . 2 . . . . A 27 SER HB2 . 34946 1 324 . 1 . 1 27 27 SER HB3 H 1 3.950 0.01 . 2 . . . . A 27 SER HB3 . 34946 1 325 . 1 . 1 27 27 SER CA C 13 60.696 0.01 . 1 . . . . A 27 SER CA . 34946 1 326 . 1 . 1 27 27 SER CB C 13 62.871 0.01 . 1 . . . . A 27 SER CB . 34946 1 327 . 1 . 1 27 27 SER N N 15 108.576 0.01 . 1 . . . . A 27 SER N . 34946 1 328 . 1 . 1 28 28 THR H H 1 7.480 0.01 . 1 . . . . A 28 THR H . 34946 1 329 . 1 . 1 28 28 THR HA H 1 4.167 0.01 . 1 . . . . A 28 THR HA . 34946 1 330 . 1 . 1 28 28 THR HB H 1 4.228 0.01 . 1 . . . . A 28 THR HB . 34946 1 331 . 1 . 1 28 28 THR HG21 H 1 1.096 0.01 . 1 . . . . A 28 THR HG21 . 34946 1 332 . 1 . 1 28 28 THR HG22 H 1 1.096 0.01 . 1 . . . . A 28 THR HG22 . 34946 1 333 . 1 . 1 28 28 THR HG23 H 1 1.096 0.01 . 1 . . . . A 28 THR HG23 . 34946 1 334 . 1 . 1 28 28 THR CA C 13 62.764 0.01 . 1 . . . . A 28 THR CA . 34946 1 335 . 1 . 1 28 28 THR CB C 13 69.661 0.01 . 1 . . . . A 28 THR CB . 34946 1 336 . 1 . 1 28 28 THR CG2 C 13 22.482 0.01 . 1 . . . . A 28 THR CG2 . 34946 1 337 . 1 . 1 28 28 THR N N 15 110.717 0.01 . 1 . . . . A 28 THR N . 34946 1 338 . 1 . 1 29 29 LEU H H 1 7.339 0.01 . 1 . . . . A 29 LEU H . 34946 1 339 . 1 . 1 29 29 LEU HA H 1 4.071 0.01 . 1 . . . . A 29 LEU HA . 34946 1 340 . 1 . 1 29 29 LEU HB2 H 1 1.024 0.01 . 1 . . . . A 29 LEU HB2 . 34946 1 341 . 1 . 1 29 29 LEU HB3 H 1 1.317 0.01 . 1 . . . . A 29 LEU HB3 . 34946 1 342 . 1 . 1 29 29 LEU HG H 1 1.555 0.01 . 1 . . . . A 29 LEU HG . 34946 1 343 . 1 . 1 29 29 LEU HD11 H 1 0.668 0.01 . 1 . . . . A 29 LEU HD11 . 34946 1 344 . 1 . 1 29 29 LEU HD12 H 1 0.668 0.01 . 1 . . . . A 29 LEU HD12 . 34946 1 345 . 1 . 1 29 29 LEU HD13 H 1 0.668 0.01 . 1 . . . . A 29 LEU HD13 . 34946 1 346 . 1 . 1 29 29 LEU HD21 H 1 0.646 0.01 . 1 . . . . A 29 LEU HD21 . 34946 1 347 . 1 . 1 29 29 LEU HD22 H 1 0.646 0.01 . 1 . . . . A 29 LEU HD22 . 34946 1 348 . 1 . 1 29 29 LEU HD23 H 1 0.646 0.01 . 1 . . . . A 29 LEU HD23 . 34946 1 349 . 1 . 1 29 29 LEU CA C 13 56.381 0.01 . 1 . . . . A 29 LEU CA . 34946 1 350 . 1 . 1 29 29 LEU CB C 13 41.501 0.01 . 1 . . . . A 29 LEU CB . 34946 1 351 . 1 . 1 29 29 LEU CG C 13 30.594 0.01 . 1 . . . . A 29 LEU CG . 34946 1 352 . 1 . 1 29 29 LEU CD1 C 13 24.566 0.01 . 1 . . . . A 29 LEU CD1 . 34946 1 353 . 1 . 1 29 29 LEU CD2 C 13 23.886 0.01 . 1 . . . . A 29 LEU CD2 . 34946 1 354 . 1 . 1 29 29 LEU N N 15 126.296 0.01 . 1 . . . . A 29 LEU N . 34946 1 355 . 1 . 1 30 30 THR H H 1 8.647 0.01 . 1 . . . . A 30 THR H . 34946 1 356 . 1 . 1 30 30 THR HA H 1 4.228 0.01 . 1 . . . . A 30 THR HA . 34946 1 357 . 1 . 1 30 30 THR HB H 1 4.707 0.01 . 1 . . . . A 30 THR HB . 34946 1 358 . 1 . 1 30 30 THR HG21 H 1 1.247 0.01 . 1 . . . . A 30 THR HG21 . 34946 1 359 . 1 . 1 30 30 THR HG22 H 1 1.247 0.01 . 1 . . . . A 30 THR HG22 . 34946 1 360 . 1 . 1 30 30 THR HG23 H 1 1.247 0.01 . 1 . . . . A 30 THR HG23 . 34946 1 361 . 1 . 1 30 30 THR CA C 13 60.885 0.01 . 1 . . . . A 30 THR CA . 34946 1 362 . 1 . 1 30 30 THR CB C 13 70.845 0.01 . 1 . . . . A 30 THR CB . 34946 1 363 . 1 . 1 30 30 THR CG2 C 13 21.839 0.01 . 1 . . . . A 30 THR CG2 . 34946 1 364 . 1 . 1 30 30 THR N N 15 112.769 0.01 . 1 . . . . A 30 THR N . 34946 1 365 . 1 . 1 31 31 SER H H 1 9.206 0.01 . 1 . . . . A 31 SER H . 34946 1 366 . 1 . 1 31 31 SER HA H 1 3.946 0.01 . 1 . . . . A 31 SER HA . 34946 1 367 . 1 . 1 31 31 SER HB2 H 1 3.874 0.01 . 2 . . . . A 31 SER HB2 . 34946 1 368 . 1 . 1 31 31 SER HB3 H 1 3.874 0.01 . 2 . . . . A 31 SER HB3 . 34946 1 369 . 1 . 1 31 31 SER CA C 13 62.751 0.01 . 1 . . . . A 31 SER CA . 34946 1 370 . 1 . 1 31 31 SER CB C 13 62.176 0.01 . 1 . . . . A 31 SER CB . 34946 1 371 . 1 . 1 31 31 SER N N 15 116.872 0.01 . 1 . . . . A 31 SER N . 34946 1 372 . 1 . 1 32 32 ARG H H 1 8.355 0.01 . 1 . . . . A 32 ARG H . 34946 1 373 . 1 . 1 32 32 ARG HA H 1 4.054 0.01 . 5 1 . . . A 32 ARG HA . 34946 1 374 . 1 . 1 32 32 ARG HB2 H 1 1.712 0.01 . 1 . . . . A 32 ARG HB2 . 34946 1 375 . 1 . 1 32 32 ARG HB3 H 1 1.828 0.01 . 1 . . . . A 32 ARG HB3 . 34946 1 376 . 1 . 1 32 32 ARG HG2 H 1 1.612 0.01 . 5 1 . . . A 32 ARG HG2 . 34946 1 377 . 1 . 1 32 32 ARG HG3 H 1 1.612 0.01 . 5 1 . . . A 32 ARG HG3 . 34946 1 378 . 1 . 1 32 32 ARG HD2 H 1 3.164 0.01 . 2 . . . . A 32 ARG HD2 . 34946 1 379 . 1 . 1 32 32 ARG HD3 H 1 3.164 0.01 . 2 . . . . A 32 ARG HD3 . 34946 1 380 . 1 . 1 32 32 ARG CA C 13 59.017 0.01 . 5 2 . . . A 32 ARG CA . 34946 1 381 . 1 . 1 32 32 ARG CB C 13 30.078 0.01 . 1 . . . . A 32 ARG CB . 34946 1 382 . 1 . 1 32 32 ARG CG C 13 27.275 0.01 . 1 . . . . A 32 ARG CG . 34946 1 383 . 1 . 1 32 32 ARG CD C 13 43.042 0.01 . 1 . . . . A 32 ARG CD . 34946 1 384 . 1 . 1 32 32 ARG N N 15 121.394 0.01 . 1 . . . . A 32 ARG N . 34946 1 385 . 1 . 1 33 33 GLN H H 1 7.786 0.01 . 1 . . . . A 33 GLN H . 34946 1 386 . 1 . 1 33 33 GLN HA H 1 3.995 0.01 . 5 1 . . . A 33 GLN HA . 34946 1 387 . 1 . 1 33 33 GLN HB2 H 1 1.666 0.01 . 1 . . . . A 33 GLN HB2 . 34946 1 388 . 1 . 1 33 33 GLN HB3 H 1 2.366 0.01 . 1 . . . . A 33 GLN HB3 . 34946 1 389 . 1 . 1 33 33 GLN HG2 H 1 2.531 0.01 . 2 . . . . A 33 GLN HG2 . 34946 1 390 . 1 . 1 33 33 GLN HG3 H 1 2.531 0.01 . 2 . . . . A 33 GLN HG3 . 34946 1 391 . 1 . 1 33 33 GLN HE21 H 1 7.745 0.01 . 1 . . . . A 33 GLN HE21 . 34946 1 392 . 1 . 1 33 33 GLN HE22 H 1 7.000 0.01 . 1 . . . . A 33 GLN HE22 . 34946 1 393 . 1 . 1 33 33 GLN CA C 13 59.125 0.01 . 5 2 . . . A 33 GLN CA . 34946 1 394 . 1 . 1 33 33 GLN CB C 13 28.601 0.01 . 1 . . . . A 33 GLN CB . 34946 1 395 . 1 . 1 33 33 GLN CG C 13 35.107 0.01 . 1 . . . . A 33 GLN CG . 34946 1 396 . 1 . 1 33 33 GLN N N 15 120.270 0.01 . 1 . . . . A 33 GLN N . 34946 1 397 . 1 . 1 33 33 GLN NE2 N 15 110.936 0.01 . 1 . . . . A 33 GLN NE2 . 34946 1 398 . 1 . 1 34 34 LYS H H 1 8.565 0.01 . 1 . . . . A 34 LYS H . 34946 1 399 . 1 . 1 34 34 LYS HA H 1 3.357 0.01 . 1 . . . . A 34 LYS HA . 34946 1 400 . 1 . 1 34 34 LYS HB2 H 1 1.443 0.01 . 1 . . . . A 34 LYS HB2 . 34946 1 401 . 1 . 1 34 34 LYS HB3 H 1 1.621 0.01 . 1 . . . . A 34 LYS HB3 . 34946 1 402 . 1 . 1 34 34 LYS HG2 H 1 0.944 0.01 . 2 . . . . A 34 LYS HG2 . 34946 1 403 . 1 . 1 34 34 LYS HG3 H 1 0.944 0.01 . 2 . . . . A 34 LYS HG3 . 34946 1 404 . 1 . 1 34 34 LYS HD2 H 1 1.105 0.01 . 1 . . . . A 34 LYS HD2 . 34946 1 405 . 1 . 1 34 34 LYS HD3 H 1 1.243 0.01 . 1 . . . . A 34 LYS HD3 . 34946 1 406 . 1 . 1 34 34 LYS HE2 H 1 1.784 0.01 . 1 . . . . A 34 LYS HE2 . 34946 1 407 . 1 . 1 34 34 LYS HE3 H 1 2.063 0.01 . 1 . . . . A 34 LYS HE3 . 34946 1 408 . 1 . 1 34 34 LYS CA C 13 60.257 0.01 . 1 . . . . A 34 LYS CA . 34946 1 409 . 1 . 1 34 34 LYS CB C 13 33.156 0.01 . 1 . . . . A 34 LYS CB . 34946 1 410 . 1 . 1 34 34 LYS CG C 13 26.901 0.01 . 1 . . . . A 34 LYS CG . 34946 1 411 . 1 . 1 34 34 LYS CD C 13 30.730 0.01 . 1 . . . . A 34 LYS CD . 34946 1 412 . 1 . 1 34 34 LYS CE C 13 41.509 0.01 . 1 . . . . A 34 LYS CE . 34946 1 413 . 1 . 1 34 34 LYS N N 15 118.802 0.01 . 1 . . . . A 34 LYS N . 34946 1 414 . 1 . 1 35 35 GLN H H 1 7.709 0.01 . 1 . . . . A 35 GLN H . 34946 1 415 . 1 . 1 35 35 GLN HA H 1 3.959 0.01 . 1 . . . . A 35 GLN HA . 34946 1 416 . 1 . 1 35 35 GLN HB2 H 1 2.125 0.01 . 2 . . . . A 35 GLN HB2 . 34946 1 417 . 1 . 1 35 35 GLN HB3 H 1 2.125 0.01 . 2 . . . . A 35 GLN HB3 . 34946 1 418 . 1 . 1 35 35 GLN HG2 H 1 2.317 0.01 . 1 . . . . A 35 GLN HG2 . 34946 1 419 . 1 . 1 35 35 GLN HG3 H 1 2.432 0.01 . 1 . . . . A 35 GLN HG3 . 34946 1 420 . 1 . 1 35 35 GLN HE21 H 1 7.476 0.01 . 1 . . . . A 35 GLN HE21 . 34946 1 421 . 1 . 1 35 35 GLN HE22 H 1 6.885 0.01 . 1 . . . . A 35 GLN HE22 . 34946 1 422 . 1 . 1 35 35 GLN CA C 13 59.065 0.01 . 1 . . . . A 35 GLN CA . 34946 1 423 . 1 . 1 35 35 GLN CB C 13 28.377 0.01 . 1 . . . . A 35 GLN CB . 34946 1 424 . 1 . 1 35 35 GLN CG C 13 33.734 0.01 . 1 . . . . A 35 GLN CG . 34946 1 425 . 1 . 1 35 35 GLN N N 15 118.461 0.01 . 1 . . . . A 35 GLN N . 34946 1 426 . 1 . 1 35 35 GLN NE2 N 15 112.290 0.01 . 1 . . . . A 35 GLN NE2 . 34946 1 427 . 1 . 1 36 36 THR H H 1 8.184 0.01 . 1 . . . . A 36 THR H . 34946 1 428 . 1 . 1 36 36 THR HA H 1 3.619 0.01 . 1 . . . . A 36 THR HA . 34946 1 429 . 1 . 1 36 36 THR HB H 1 3.849 0.01 . 1 . . . . A 36 THR HB . 34946 1 430 . 1 . 1 36 36 THR HG21 H 1 0.999 0.01 . 1 . . . . A 36 THR HG21 . 34946 1 431 . 1 . 1 36 36 THR HG22 H 1 0.999 0.01 . 1 . . . . A 36 THR HG22 . 34946 1 432 . 1 . 1 36 36 THR HG23 H 1 0.999 0.01 . 1 . . . . A 36 THR HG23 . 34946 1 433 . 1 . 1 36 36 THR CA C 13 66.422 0.01 . 1 . . . . A 36 THR CA . 34946 1 434 . 1 . 1 36 36 THR CB C 13 68.471 0.01 . 1 . . . . A 36 THR CB . 34946 1 435 . 1 . 1 36 36 THR CG2 C 13 22.412 0.01 . 1 . . . . A 36 THR CG2 . 34946 1 436 . 1 . 1 36 36 THR N N 15 119.247 0.01 . 1 . . . . A 36 THR N . 34946 1 437 . 1 . 1 37 37 ALA H H 1 8.003 0.01 . 1 . . . . A 37 ALA H . 34946 1 438 . 1 . 1 37 37 ALA HA H 1 1.773 0.01 . 1 . . . . A 37 ALA HA . 34946 1 439 . 1 . 1 37 37 ALA HB1 H 1 1.163 0.01 . 1 . . . . A 37 ALA HB1 . 34946 1 440 . 1 . 1 37 37 ALA HB2 H 1 1.163 0.01 . 1 . . . . A 37 ALA HB2 . 34946 1 441 . 1 . 1 37 37 ALA HB3 H 1 1.163 0.01 . 1 . . . . A 37 ALA HB3 . 34946 1 442 . 1 . 1 37 37 ALA CA C 13 54.459 0.01 . 1 . . . . A 37 ALA CA . 34946 1 443 . 1 . 1 37 37 ALA CB C 13 20.486 0.01 . 1 . . . . A 37 ALA CB . 34946 1 444 . 1 . 1 37 37 ALA N N 15 125.004 0.01 . 1 . . . . A 37 ALA N . 34946 1 445 . 1 . 1 38 38 ARG H H 1 8.261 0.01 . 1 . . . . A 38 ARG H . 34946 1 446 . 1 . 1 38 38 ARG HA H 1 3.733 0.01 . 1 . . . . A 38 ARG HA . 34946 1 447 . 1 . 1 38 38 ARG HB2 H 1 1.808 0.01 . 2 . . . . A 38 ARG HB2 . 34946 1 448 . 1 . 1 38 38 ARG HB3 H 1 1.808 0.01 . 2 . . . . A 38 ARG HB3 . 34946 1 449 . 1 . 1 38 38 ARG HG2 H 1 1.427 0.01 . 5 1 . . . A 38 ARG HG2 . 34946 1 450 . 1 . 1 38 38 ARG HG3 H 1 2.035 0.01 . 5 1 . . . A 38 ARG HG3 . 34946 1 451 . 1 . 1 38 38 ARG HD2 H 1 3.123 0.01 . 5 1 . . . A 38 ARG HD2 . 34946 1 452 . 1 . 1 38 38 ARG HD3 H 1 3.123 0.01 . 5 1 . . . A 38 ARG HD3 . 34946 1 453 . 1 . 1 38 38 ARG CA C 13 60.374 0.01 . 1 . . . . A 38 ARG CA . 34946 1 454 . 1 . 1 38 38 ARG CB C 13 30.119 0.01 . 1 . . . . A 38 ARG CB . 34946 1 455 . 1 . 1 38 38 ARG CG C 13 27.426 0.01 . 5 2 . . . A 38 ARG CG . 34946 1 456 . 1 . 1 38 38 ARG CD C 13 43.545 0.01 . 5 2 . . . A 38 ARG CD . 34946 1 457 . 1 . 1 38 38 ARG N N 15 115.719 0.01 . 1 . . . . A 38 ARG N . 34946 1 458 . 1 . 1 39 39 ALA H H 1 7.624 0.01 . 1 . . . . A 39 ALA H . 34946 1 459 . 1 . 1 39 39 ALA HA H 1 4.098 0.01 . 5 1 . . . A 39 ALA HA . 34946 1 460 . 1 . 1 39 39 ALA HB1 H 1 1.395 0.01 . 1 . . . . A 39 ALA HB1 . 34946 1 461 . 1 . 1 39 39 ALA HB2 H 1 1.395 0.01 . 1 . . . . A 39 ALA HB2 . 34946 1 462 . 1 . 1 39 39 ALA HB3 H 1 1.395 0.01 . 1 . . . . A 39 ALA HB3 . 34946 1 463 . 1 . 1 39 39 ALA CA C 13 54.586 0.01 . 5 2 . . . A 39 ALA CA . 34946 1 464 . 1 . 1 39 39 ALA CB C 13 17.996 0.01 . 1 . . . . A 39 ALA CB . 34946 1 465 . 1 . 1 39 39 ALA N N 15 120.350 0.01 . 1 . . . . A 39 ALA N . 34946 1 466 . 1 . 1 40 40 ALA H H 1 7.869 0.01 . 1 . . . . A 40 ALA H . 34946 1 467 . 1 . 1 40 40 ALA HA H 1 4.098 0.01 . 5 1 . . . A 40 ALA HA . 34946 1 468 . 1 . 1 40 40 ALA HB1 H 1 1.128 0.01 . 1 . . . . A 40 ALA HB1 . 34946 1 469 . 1 . 1 40 40 ALA HB2 H 1 1.128 0.01 . 1 . . . . A 40 ALA HB2 . 34946 1 470 . 1 . 1 40 40 ALA HB3 H 1 1.128 0.01 . 1 . . . . A 40 ALA HB3 . 34946 1 471 . 1 . 1 40 40 ALA CA C 13 54.586 0.01 . 5 2 . . . A 40 ALA CA . 34946 1 472 . 1 . 1 40 40 ALA CB C 13 19.095 0.01 . 1 . . . . A 40 ALA CB . 34946 1 473 . 1 . 1 40 40 ALA N N 15 121.112 0.01 . 1 . . . . A 40 ALA N . 34946 1 474 . 1 . 1 41 41 MET H H 1 7.939 0.01 . 1 . . . . A 41 MET H . 34946 1 475 . 1 . 1 41 41 MET HA H 1 4.509 0.01 . 1 . . . . A 41 MET HA . 34946 1 476 . 1 . 1 41 41 MET HB2 H 1 2.003 0.01 . 5 1 . . . A 41 MET HB2 . 34946 1 477 . 1 . 1 41 41 MET HB3 H 1 2.237 0.01 . 1 . . . . A 41 MET HB3 . 34946 1 478 . 1 . 1 41 41 MET HG2 H 1 2.546 0.01 . 1 . . . . A 41 MET HG2 . 34946 1 479 . 1 . 1 41 41 MET HG3 H 1 2.676 0.01 . 1 . . . . A 41 MET HG3 . 34946 1 480 . 1 . 1 41 41 MET HE1 H 1 2.062 0.01 . 1 . . . . A 41 MET HE1 . 34946 1 481 . 1 . 1 41 41 MET HE2 H 1 2.062 0.01 . 1 . . . . A 41 MET HE2 . 34946 1 482 . 1 . 1 41 41 MET HE3 H 1 2.062 0.01 . 1 . . . . A 41 MET HE3 . 34946 1 483 . 1 . 1 41 41 MET CA C 13 55.567 0.01 . 1 . . . . A 41 MET CA . 34946 1 484 . 1 . 1 41 41 MET CB C 13 33.748 0.01 . 1 . . . . A 41 MET CB . 34946 1 485 . 1 . 1 41 41 MET CG C 13 33.457 0.01 . 1 . . . . A 41 MET CG . 34946 1 486 . 1 . 1 41 41 MET CE C 13 17.607 0.01 . 1 . . . . A 41 MET CE . 34946 1 487 . 1 . 1 41 41 MET N N 15 113.033 0.01 . 1 . . . . A 41 MET N . 34946 1 488 . 1 . 1 42 42 GLY H H 1 7.814 0.01 . 1 . . . . A 42 GLY H . 34946 1 489 . 1 . 1 42 42 GLY HA2 H 1 3.909 0.01 . 1 . . . . A 42 GLY HA2 . 34946 1 490 . 1 . 1 42 42 GLY HA3 H 1 3.963 0.01 . 1 . . . . A 42 GLY HA3 . 34946 1 491 . 1 . 1 42 42 GLY CA C 13 46.480 0.01 . 1 . . . . A 42 GLY CA . 34946 1 492 . 1 . 1 42 42 GLY N N 15 109.284 0.01 . 1 . . . . A 42 GLY N . 34946 1 493 . 1 . 1 43 43 ILE H H 1 7.897 0.01 . 1 . . . . A 43 ILE H . 34946 1 494 . 1 . 1 43 43 ILE HA H 1 4.094 0.01 . 1 . . . . A 43 ILE HA . 34946 1 495 . 1 . 1 43 43 ILE HB H 1 1.661 0.01 . 1 . . . . A 43 ILE HB . 34946 1 496 . 1 . 1 43 43 ILE HG12 H 1 1.066 0.01 . 1 . . . . A 43 ILE HG12 . 34946 1 497 . 1 . 1 43 43 ILE HG13 H 1 1.427 0.01 . 5 1 . . . A 43 ILE HG13 . 34946 1 498 . 1 . 1 43 43 ILE HG21 H 1 0.847 0.01 . 5 1 . . . A 43 ILE HG21 . 34946 1 499 . 1 . 1 43 43 ILE HG22 H 1 0.847 0.01 . 5 1 . . . A 43 ILE HG22 . 34946 1 500 . 1 . 1 43 43 ILE HG23 H 1 0.847 0.01 . 5 1 . . . A 43 ILE HG23 . 34946 1 501 . 1 . 1 43 43 ILE HD11 H 1 0.818 0.01 . 1 . . . . A 43 ILE HD11 . 34946 1 502 . 1 . 1 43 43 ILE HD12 H 1 0.818 0.01 . 1 . . . . A 43 ILE HD12 . 34946 1 503 . 1 . 1 43 43 ILE HD13 H 1 0.818 0.01 . 1 . . . . A 43 ILE HD13 . 34946 1 504 . 1 . 1 43 43 ILE CA C 13 60.991 0.01 . 1 . . . . A 43 ILE CA . 34946 1 505 . 1 . 1 43 43 ILE CB C 13 39.483 0.01 . 1 . . . . A 43 ILE CB . 34946 1 506 . 1 . 1 43 43 ILE CG1 C 13 27.423 0.01 . 1 . . . . A 43 ILE CG1 . 34946 1 507 . 1 . 1 43 43 ILE CG2 C 13 17.434 0.01 . 5 2 . . . A 43 ILE CG2 . 34946 1 508 . 1 . 1 43 43 ILE CD1 C 13 13.317 0.01 . 1 . . . . A 43 ILE CD1 . 34946 1 509 . 1 . 1 43 43 ILE N N 15 119.509 0.01 . 1 . . . . A 43 ILE N . 34946 1 510 . 1 . 1 44 44 LYS H H 1 8.494 0.01 . 1 . . . . A 44 LYS H . 34946 1 511 . 1 . 1 44 44 LYS HA H 1 4.289 0.01 . 1 . . . . A 44 LYS HA . 34946 1 512 . 1 . 1 44 44 LYS HB2 H 1 1.687 0.01 . 1 . . . . A 44 LYS HB2 . 34946 1 513 . 1 . 1 44 44 LYS HB3 H 1 1.804 0.01 . 1 . . . . A 44 LYS HB3 . 34946 1 514 . 1 . 1 44 44 LYS HG2 H 1 1.379 0.01 . 1 . . . . A 44 LYS HG2 . 34946 1 515 . 1 . 1 44 44 LYS HG3 H 1 1.404 0.01 . 1 . . . . A 44 LYS HG3 . 34946 1 516 . 1 . 1 44 44 LYS HD2 H 1 1.632 0.01 . 2 . . . . A 44 LYS HD2 . 34946 1 517 . 1 . 1 44 44 LYS HD3 H 1 1.632 0.01 . 2 . . . . A 44 LYS HD3 . 34946 1 518 . 1 . 1 44 44 LYS HE2 H 1 2.951 0.01 . 5 1 . . . A 44 LYS HE2 . 34946 1 519 . 1 . 1 44 44 LYS HE3 H 1 2.951 0.01 . 5 1 . . . A 44 LYS HE3 . 34946 1 520 . 1 . 1 44 44 LYS CA C 13 56.170 0.01 . 1 . . . . A 44 LYS CA . 34946 1 521 . 1 . 1 44 44 LYS CB C 13 33.158 0.01 . 1 . . . . A 44 LYS CB . 34946 1 522 . 1 . 1 44 44 LYS CG C 13 24.742 0.01 . 1 . . . . A 44 LYS CG . 34946 1 523 . 1 . 1 44 44 LYS CD C 13 29.203 0.01 . 1 . . . . A 44 LYS CD . 34946 1 524 . 1 . 1 44 44 LYS CE C 13 42.199 0.01 . 5 2 . . . A 44 LYS CE . 34946 1 525 . 1 . 1 44 44 LYS N N 15 127.115 0.01 . 1 . . . . A 44 LYS N . 34946 1 526 . 1 . 1 45 45 LEU H H 1 7.923 0.01 . 1 . . . . A 45 LEU H . 34946 1 527 . 1 . 1 45 45 LEU HA H 1 4.073 0.01 . 1 . . . . A 45 LEU HA . 34946 1 528 . 1 . 1 45 45 LEU HB2 H 1 1.433 0.01 . 2 . . . . A 45 LEU HB2 . 34946 1 529 . 1 . 1 45 45 LEU HB3 H 1 1.433 0.01 . 2 . . . . A 45 LEU HB3 . 34946 1 530 . 1 . 1 45 45 LEU HG H 1 1.509 0.01 . 1 . . . . A 45 LEU HG . 34946 1 531 . 1 . 1 45 45 LEU HD11 H 1 0.808 0.01 . 1 . . . . A 45 LEU HD11 . 34946 1 532 . 1 . 1 45 45 LEU HD12 H 1 0.808 0.01 . 1 . . . . A 45 LEU HD12 . 34946 1 533 . 1 . 1 45 45 LEU HD13 H 1 0.808 0.01 . 1 . . . . A 45 LEU HD13 . 34946 1 534 . 1 . 1 45 45 LEU HD21 H 1 0.771 0.01 . 1 . . . . A 45 LEU HD21 . 34946 1 535 . 1 . 1 45 45 LEU HD22 H 1 0.771 0.01 . 1 . . . . A 45 LEU HD22 . 34946 1 536 . 1 . 1 45 45 LEU HD23 H 1 0.771 0.01 . 1 . . . . A 45 LEU HD23 . 34946 1 537 . 1 . 1 45 45 LEU CA C 13 56.862 0.01 . 1 . . . . A 45 LEU CA . 34946 1 538 . 1 . 1 45 45 LEU CB C 13 43.500 0.01 . 1 . . . . A 45 LEU CB . 34946 1 539 . 1 . 1 45 45 LEU CG C 13 27.398 0.01 . 1 . . . . A 45 LEU CG . 34946 1 540 . 1 . 1 45 45 LEU CD1 C 13 25.274 0.01 . 1 . . . . A 45 LEU CD1 . 34946 1 541 . 1 . 1 45 45 LEU CD2 C 13 23.738 0.01 . 1 . . . . A 45 LEU CD2 . 34946 1 542 . 1 . 1 45 45 LEU N N 15 130.008 0.01 . 1 . . . . A 45 LEU N . 34946 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 34946 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # NAME 1 proton1 # NAME 2 hetero1 # NAME 3 proton2 # Number of dimensions 3 1 8.723 120.161 8.190 5 U 112.206 0.00E+00 m 0 0 0 0 0 2 8.722 120.189 7.633 5 U 42.783 0.00E+00 m 0 0 0 0 0 3 8.723 120.152 6.884 5 U 29.724 0.00E+00 m 0 0 0 0 0 4 8.723 120.174 4.615 5 U 222.572 0.00E+00 m 0 0 0 0 0 5 8.721 120.174 4.263 5 U 534.015 0.00E+00 m 0 0 0 0 0 6 8.722 120.174 2.677 5 U 364.612 0.00E+00 m 0 0 0 0 0 7 8.723 120.177 2.191 5 U 99.051 0.00E+00 m 0 0 0 0 0 8 8.719 120.172 1.916 5 U 223.945 0.00E+00 m 0 0 0 0 0 9 8.723 120.172 1.972 5 U 223.228 0.00E+00 m 0 0 0 0 0 10 8.188 123.140 8.723 5 U 103.557 0.00E+00 m 0 0 0 0 0 11 8.188 123.147 7.607 5 U 80.875 0.00E+00 m 0 0 0 0 0 12 8.189 123.159 7.336 5 U 39.426 0.00E+00 m 0 0 0 0 0 13 8.188 123.148 4.758 5 U 399.317 0.00E+00 m 0 0 0 0 0 14 8.188 123.146 4.622 5 U 948.179 0.00E+00 m 0 0 0 0 0 15 8.187 123.142 4.256 5 U 112.768 0.00E+00 m 0 0 0 0 0 16 8.188 123.156 3.906 5 U 173.104 0.00E+00 m 0 0 0 0 0 17 8.188 123.156 3.818 5 U 166.020 0.00E+00 m 0 0 0 0 0 18 8.188 123.146 2.612 5 U 973.365 0.00E+00 m 0 0 0 0 0 19 8.188 123.152 2.354 5 U 42.886 0.00E+00 m 0 0 0 0 0 20 8.187 123.152 2.197 5 U 149.139 0.00E+00 m 0 0 0 0 0 21 8.188 123.162 1.927 5 U 173.791 0.00E+00 m 0 0 0 0 0 22 8.188 123.144 1.750 5 U 122.514 0.00E+00 m 0 0 0 0 0 23 8.188 123.110 0.495 5 U 47.296 0.00E+00 m 0 0 0 0 0 24 8.188 123.145 0.265 5 U 155.666 0.00E+00 m 0 0 0 0 0 25 8.949 118.641 7.598 5 U 401.381 0.00E+00 m 0 0 0 0 0 26 8.949 118.635 4.235 5 U 112.404 0.00E+00 m 0 0 0 0 0 27 8.949 118.643 4.066 5 U 298.933 0.00E+00 m 0 0 0 0 0 28 8.951 118.653 3.903 5 U 99.330 0.00E+00 m 0 0 0 0 0 29 8.950 118.642 3.804 5 U 139.472 0.00E+00 m 0 0 0 0 0 30 8.951 118.636 3.413 5 U 86.603 0.00E+00 m 0 0 0 0 0 31 8.948 118.638 3.271 5 U 84.335 0.00E+00 m 0 0 0 0 0 32 8.950 118.664 2.607 5 U 88.713 0.00E+00 m 0 0 0 0 0 33 8.948 118.624 2.340 5 U 74.847 0.00E+00 m 0 0 0 0 0 34 8.948 118.645 1.949 5 U 1147.722 0.00E+00 m 0 0 0 0 0 35 8.949 118.643 1.811 5 U 772.080 0.00E+00 m 0 0 0 0 0 36 8.946 118.656 0.271 5 U 80.764 0.00E+00 m 0 0 0 0 0 37 7.598 119.390 8.947 5 U 550.554 0.00E+00 m 0 0 0 0 0 38 7.600 119.423 8.472 5 U 21.862 0.00E+00 m 0 0 0 0 0 39 7.599 119.405 4.769 5 U 56.821 0.00E+00 m 0 0 0 0 0 40 7.599 119.393 4.247 5 U 130.721 0.00E+00 m 0 0 0 0 0 41 7.600 119.393 4.066 5 U 275.698 0.00E+00 m 0 0 0 0 0 42 7.601 119.388 3.921 5 U 191.631 0.00E+00 m 0 0 0 0 0 43 7.601 119.388 3.812 5 U 135.461 0.00E+00 m 0 0 0 0 0 44 7.599 119.384 3.462 5 U 433.437 0.00E+00 m 0 0 0 0 0 45 7.601 119.393 3.279 5 U 61.980 0.00E+00 m 0 0 0 0 0 46 7.599 119.386 2.607 5 U 428.997 0.00E+00 m 0 0 0 0 0 47 7.600 119.352 2.355 5 U 41.520 0.00E+00 m 0 0 0 0 0 48 7.597 119.429 2.223 5 U 22.567 0.00E+00 m 0 0 0 0 0 49 7.599 119.385 1.942 5 U 1124.688 0.00E+00 m 0 0 0 0 0 50 7.599 119.385 2.050 5 U 677.789 0.00E+00 m 0 0 0 0 0 51 7.599 119.386 1.750 5 U 1783.246 0.00E+00 m 0 0 0 0 0 52 7.599 119.380 1.599 5 U 105.979 0.00E+00 m 0 0 0 0 0 53 7.599 119.378 0.496 5 U 391.860 0.00E+00 m 0 0 0 0 0 54 7.599 119.384 0.267 5 U 1088.992 0.00E+00 m 0 0 0 0 0 55 7.532 117.786 4.237 5 U 47.628 0.00E+00 m 0 0 0 0 0 56 7.534 117.781 3.807 5 U 171.353 0.00E+00 m 0 0 0 0 0 57 7.532 117.789 1.754 5 U 973.212 0.00E+00 m 0 0 0 0 0 58 7.534 117.840 1.594 5 U 155.294 0.00E+00 m 0 0 0 0 0 59 7.529 117.764 0.507 5 U 54.855 0.00E+00 m 0 0 0 0 0 60 7.531 117.799 0.263 5 U 45.852 0.00E+00 m 0 0 0 0 0 61 7.442 120.927 7.821 5 U 168.619 0.00E+00 m 0 0 0 0 0 62 7.446 120.965 4.237 5 U 13.814 0.00E+00 m 0 0 0 0 0 63 7.442 120.928 4.008 5 U 340.508 0.00E+00 m 0 0 0 0 0 64 7.447 120.921 3.807 5 U 56.533 0.00E+00 m 0 0 0 0 0 65 7.441 120.922 1.739 5 U 982.686 0.00E+00 m 0 0 0 0 0 66 7.442 120.903 1.594 5 U 65.330 0.00E+00 m 0 0 0 0 0 67 7.442 120.935 1.189 5 U 120.974 0.00E+00 m 0 0 0 0 0 68 7.830 117.760 8.454 5 U 347.102 0.00E+00 m 0 0 0 0 0 69 7.829 117.769 7.481 5 U 652.869 0.00E+00 m 0 0 0 0 0 70 7.829 117.761 4.247 5 U 271.791 0.00E+00 m 0 0 0 0 0 71 7.828 117.748 4.015 5 U 230.340 0.00E+00 m 0 0 0 0 0 72 7.828 117.748 3.469 5 U 89.029 0.00E+00 m 0 0 0 0 0 73 7.828 117.747 2.474 5 U 487.365 0.00E+00 m 0 0 0 0 0 74 7.830 117.747 2.398 5 U 686.592 0.00E+00 m 0 0 0 0 0 75 7.829 117.754 1.737 5 U 682.877 0.00E+00 m 0 0 0 0 0 76 7.828 117.749 1.175 5 U 249.132 0.00E+00 m 0 0 0 0 0 77 7.830 117.749 0.831 5 U 110.412 0.00E+00 m 0 0 0 0 0 78 7.827 117.739 0.291 5 U 119.360 0.00E+00 m 0 0 0 0 0 79 8.458 122.114 8.352 5 U 778.467 0.00E+00 m 0 0 0 0 0 80 8.456 122.127 7.823 5 U 647.094 0.00E+00 m 0 0 0 0 0 81 8.459 122.125 7.697 5 U 314.743 0.00E+00 m 0 0 0 0 0 82 8.457 122.129 7.477 5 U 286.824 0.00E+00 m 0 0 0 0 0 83 8.460 122.129 6.672 5 U 24.244 0.00E+00 m 0 0 0 0 0 84 8.462 122.153 5.410 5 U 18.538 0.00E+00 m 0 0 0 0 0 85 8.457 122.131 4.252 5 U 264.114 0.00E+00 m 0 0 0 0 0 86 8.458 122.155 4.096 5 U 67.773 0.00E+00 m 0 0 0 0 0 87 8.457 122.132 3.797 5 U 660.685 0.00E+00 m 0 0 0 0 0 88 8.457 122.132 3.916 5 U 1106.557 0.00E+00 m 0 0 0 0 0 89 8.457 122.149 3.470 5 U 167.426 0.00E+00 m 0 0 0 0 0 90 8.460 122.200 3.139 5 U 13.670 0.00E+00 m 0 0 0 0 0 91 8.456 122.147 2.783 5 U 72.452 0.00E+00 m 0 0 0 0 0 92 8.457 122.140 2.490 5 U 500.384 0.00E+00 m 0 0 0 0 0 93 8.459 122.140 2.410 5 U 681.948 0.00E+00 m 0 0 0 0 0 94 8.456 122.240 2.036 5 U 47.818 0.00E+00 m 0 0 0 0 0 95 8.457 122.132 1.747 5 U 201.671 0.00E+00 m 0 0 0 0 0 96 8.457 122.134 1.163 5 U 1521.971 0.00E+00 m 0 0 0 0 0 97 8.456 122.145 0.844 5 U 265.013 0.00E+00 m 0 0 0 0 0 98 8.456 122.149 0.494 5 U 169.444 0.00E+00 m 0 0 0 0 0 99 8.457 122.126 0.293 5 U 691.806 0.00E+00 m 0 0 0 0 0 100 8.354 117.735 8.453 5 U 1660.994 0.00E+00 m 0 0 0 0 0 101 8.348 117.717 7.815 5 U 393.267 0.00E+00 m 0 0 0 0 0 102 8.350 117.733 7.681 5 U 608.904 0.00E+00 m 0 0 0 0 0 103 8.349 117.737 7.476 5 U 59.308 0.00E+00 m 0 0 0 0 0 104 8.349 117.733 4.626 5 U 70.835 0.00E+00 m 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3.554 5 U 579.029 0.00E+00 m 0 0 0 0 0 123 7.816 107.295 2.801 5 U 181.028 0.00E+00 m 0 0 0 0 0 124 7.812 107.235 1.156 5 U 39.948 0.00E+00 m 0 0 0 0 0 125 7.816 107.280 0.830 5 U 112.009 0.00E+00 m 0 0 0 0 0 126 7.817 107.280 0.713 5 U 115.640 0.00E+00 m 0 0 0 0 0 127 7.807 123.990 9.322 5 U 50.738 0.00E+00 m 0 0 0 0 0 128 7.806 124.026 8.460 5 U 34.223 0.00E+00 m 0 0 0 0 0 129 7.799 123.972 8.347 5 U 38.455 0.00E+00 m 0 0 0 0 0 130 7.805 124.001 7.493 5 U 47.131 0.00E+00 m 0 0 0 0 0 131 7.802 124.053 4.617 5 U 46.053 0.00E+00 m 0 0 0 0 0 132 7.803 124.005 4.290 5 U 760.097 0.00E+00 m 0 0 0 0 0 133 7.803 124.002 3.910 5 U 275.379 0.00E+00 m 0 0 0 0 0 134 7.804 124.009 3.556 5 U 256.038 0.00E+00 m 0 0 0 0 0 135 7.803 124.009 2.801 5 U 174.754 0.00E+00 m 0 0 0 0 0 136 7.808 124.010 2.470 5 U 102.387 0.00E+00 m 0 0 0 0 0 137 7.804 124.007 1.612 5 U 78.086 0.00E+00 m 0 0 0 0 0 138 7.803 123.996 1.163 5 U 112.837 0.00E+00 m 0 0 0 0 0 139 7.803 124.006 0.837 5 U 1293.973 0.00E+00 m 0 0 0 0 0 140 7.802 124.007 0.297 5 U 110.326 0.00E+00 m 0 0 0 0 0 141 9.319 127.365 7.804 5 U 32.339 0.00E+00 m 0 0 0 0 0 142 9.323 127.362 4.302 5 U 263.114 0.00E+00 m 0 0 0 0 0 143 9.315 127.377 3.860 5 U 35.035 0.00E+00 m 0 0 0 0 0 144 9.319 127.394 2.492 5 U 54.470 0.00E+00 m 0 0 0 0 0 145 9.319 127.360 2.273 5 U 71.154 0.00E+00 m 0 0 0 0 0 146 9.319 127.332 2.147 5 U 45.653 0.00E+00 m 0 0 0 0 0 147 9.316 127.361 0.837 5 U 35.731 0.00E+00 m 0 0 0 0 0 148 7.822 116.291 9.318 5 U 138.403 0.00E+00 m 0 0 0 0 0 149 7.822 116.329 7.519 5 U 100.951 0.00E+00 m 0 0 0 0 0 150 7.823 116.357 7.000 5 U 33.145 0.00E+00 m 0 0 0 0 0 151 7.823 116.309 5.402 5 U 311.817 0.00E+00 m 0 0 0 0 0 152 7.823 116.309 4.299 5 U 158.781 0.00E+00 m 0 0 0 0 0 153 7.823 116.306 4.039 5 U 780.056 0.00E+00 m 0 0 0 0 0 154 7.823 116.297 3.863 5 U 297.590 0.00E+00 m 0 0 0 0 0 155 7.823 116.306 3.287 5 U 1098.237 0.00E+00 m 0 0 0 0 0 156 7.822 116.304 2.288 5 U 323.207 0.00E+00 m 0 0 0 0 0 157 7.822 116.304 2.166 5 U 486.294 0.00E+00 m 0 0 0 0 0 158 7.823 116.317 1.782 5 U 105.932 0.00E+00 m 0 0 0 0 0 159 7.823 116.304 1.635 5 U 145.539 0.00E+00 m 0 0 0 0 0 160 7.823 116.310 0.831 5 U 327.138 0.00E+00 m 0 0 0 0 0 161 7.823 116.303 0.675 5 U 193.391 0.00E+00 m 0 0 0 0 0 162 7.823 116.288 0.292 5 U 119.513 0.00E+00 m 0 0 0 0 0 163 7.674 120.069 8.348 5 U 775.093 0.00E+00 m 0 0 0 0 0 164 7.715 120.349 8.221 5 U 198.779 0.00E+00 m 0 0 0 0 0 165 7.716 120.352 8.074 5 U 646.546 0.00E+00 m 0 0 0 0 0 166 7.717 120.329 5.404 5 U 557.512 0.00E+00 m 0 0 0 0 0 167 7.716 120.342 3.905 5 U 1354.361 0.00E+00 m 0 0 0 0 0 168 7.716 120.342 3.505 5 U 547.773 0.00E+00 m 0 0 0 0 0 169 7.717 120.359 1.619 5 U 2153.938 0.00E+00 m 0 0 0 0 0 170 7.716 120.339 1.159 5 U 720.124 0.00E+00 m 0 0 0 0 0 171 7.716 120.340 0.864 5 U 995.778 0.00E+00 m 0 0 0 0 0 172 7.716 120.345 0.707 5 U 740.595 0.00E+00 m 0 0 0 0 0 173 7.716 120.347 0.297 5 U 633.167 0.00E+00 m 0 0 0 0 0 174 8.073 118.795 8.414 5 U 95.165 0.00E+00 m 0 0 0 0 0 175 8.074 118.806 8.214 5 U 551.627 0.00E+00 m 0 0 0 0 0 176 8.074 118.799 7.720 5 U 800.795 0.00E+00 m 0 0 0 0 0 177 8.073 118.809 5.403 5 U 74.812 0.00E+00 m 0 0 0 0 0 178 8.068 118.799 3.870 5 U 485.772 0.00E+00 m 0 0 0 0 0 179 8.075 118.799 3.974 5 U 998.031 0.00E+00 m 0 0 0 0 0 180 8.074 118.815 3.505 5 U 235.407 0.00E+00 m 0 0 0 0 0 181 8.074 118.815 3.315 5 U 50.047 0.00E+00 m 0 0 0 0 0 182 8.074 118.807 2.941 5 U 92.779 0.00E+00 m 0 0 0 0 0 183 8.073 118.818 2.505 5 U 66.188 0.00E+00 m 0 0 0 0 0 184 8.074 118.802 1.777 5 U 1783.046 0.00E+00 m 0 0 0 0 0 185 8.074 118.804 1.634 5 U 1115.372 0.00E+00 m 0 0 0 0 0 186 8.074 118.805 1.409 5 U 612.841 0.00E+00 m 0 0 0 0 0 187 8.074 118.808 1.145 5 U 110.191 0.00E+00 m 0 0 0 0 0 188 8.074 118.809 0.856 5 U 640.251 0.00E+00 m 0 0 0 0 0 189 8.074 118.809 0.698 5 U 262.687 0.00E+00 m 0 0 0 0 0 190 8.073 118.852 0.492 5 U 20.341 0.00E+00 m 0 0 0 0 0 191 8.073 118.809 0.291 5 U 103.754 0.00E+00 m 0 0 0 0 0 192 8.227 121.383 8.755 5 U 35.021 0.00E+00 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5 U 591.750 0.00E+00 m 0 0 0 0 0 211 8.223 121.472 0.508 5 U 116.758 0.00E+00 m 0 0 0 0 0 212 8.223 121.431 0.292 5 U 109.308 0.00E+00 m 0 0 0 0 0 213 8.428 116.964 8.219 5 U 840.199 0.00E+00 m 0 0 0 0 0 214 8.423 117.021 8.069 5 U 106.291 0.00E+00 m 0 0 0 0 0 215 8.428 117.043 4.164 5 U 186.383 0.00E+00 m 0 0 0 0 0 216 8.427 116.975 3.916 5 U 1501.593 0.00E+00 m 0 0 0 0 0 217 8.428 116.988 3.600 5 U 326.226 0.00E+00 m 0 0 0 0 0 218 8.429 117.012 2.244 5 U 175.879 0.00E+00 m 0 0 0 0 0 219 8.427 116.976 2.040 5 U 1379.472 0.00E+00 m 0 0 0 0 0 220 8.427 116.948 1.801 5 U 79.234 0.00E+00 m 0 0 0 0 0 221 8.436 116.949 0.853 5 U 27.592 0.00E+00 m 0 0 0 0 0 222 8.426 117.019 0.655 5 U 74.610 0.00E+00 m 0 0 0 0 0 223 8.428 117.006 0.497 5 U 104.790 0.00E+00 m 0 0 0 0 0 224 8.211 116.038 8.773 5 U 621.962 0.00E+00 m 0 0 0 0 0 225 8.211 116.042 8.426 5 U 604.769 0.00E+00 m 0 0 0 0 0 226 8.206 115.976 4.637 5 U 75.153 0.00E+00 m 0 0 0 0 0 227 8.211 116.039 4.223 5 U 780.081 0.00E+00 m 0 0 0 0 0 228 8.211 116.033 3.937 5 U 516.358 0.00E+00 m 0 0 0 0 0 229 8.211 116.018 2.237 5 U 204.730 0.00E+00 m 0 0 0 0 0 230 8.211 116.032 2.038 5 U 2469.396 0.00E+00 m 0 0 0 0 0 231 8.211 116.032 1.946 5 U 3542.000 0.00E+00 m 0 0 0 0 0 232 8.212 116.024 1.828 5 U 704.973 0.00E+00 m 0 0 0 0 0 233 8.213 116.031 1.437 5 U 783.785 0.00E+00 m 0 0 0 0 0 234 8.211 116.031 1.623 5 U 482.512 0.00E+00 m 0 0 0 0 0 235 8.212 116.036 0.860 5 U 118.966 0.00E+00 m 0 0 0 0 0 236 8.210 116.024 0.495 5 U 31.659 0.00E+00 m 0 0 0 0 0 237 8.774 116.001 8.210 5 U 590.985 0.00E+00 m 0 0 0 0 0 238 8.775 116.011 8.093 5 U 811.421 0.00E+00 m 0 0 0 0 0 239 8.777 116.011 4.643 5 U 260.758 0.00E+00 m 0 0 0 0 0 240 8.774 115.989 4.234 5 U 355.502 0.00E+00 m 0 0 0 0 0 241 8.777 116.012 3.969 5 U 127.520 0.00E+00 m 0 0 0 0 0 242 8.772 115.989 2.947 5 U 32.276 0.00E+00 m 0 0 0 0 0 243 8.775 116.001 1.998 5 U 1105.990 0.00E+00 m 0 0 0 0 0 244 8.776 116.006 1.827 5 U 528.448 0.00E+00 m 0 0 0 0 0 245 8.776 116.005 1.640 5 U 151.034 0.00E+00 m 0 0 0 0 0 246 8.777 115.989 1.466 5 U 240.915 0.00E+00 m 0 0 0 0 0 247 8.776 115.997 1.361 5 U 276.377 0.00E+00 m 0 0 0 0 0 248 8.778 116.012 1.084 5 U 48.472 0.00E+00 m 0 0 0 0 0 249 8.091 109.312 9.208 5 U 105.642 0.00E+00 m 0 0 0 0 0 250 8.089 109.332 8.633 5 U 68.713 0.00E+00 m 0 0 0 0 0 251 8.093 109.332 8.776 5 U 717.779 0.00E+00 m 0 0 0 0 0 252 8.093 109.328 4.650 5 U 207.018 0.00E+00 m 0 0 0 0 0 253 8.091 109.319 4.293 5 U 611.854 0.00E+00 m 0 0 0 0 0 254 8.093 109.304 4.165 5 U 316.921 0.00E+00 m 0 0 0 0 0 255 8.092 109.306 3.929 5 U 151.557 0.00E+00 m 0 0 0 0 0 256 8.089 109.334 3.600 5 U 38.910 0.00E+00 m 0 0 0 0 0 257 8.090 109.332 1.818 5 U 98.771 0.00E+00 m 0 0 0 0 0 258 8.093 109.332 1.998 5 U 480.846 0.00E+00 m 0 0 0 0 0 259 8.093 109.344 1.648 5 U 58.197 0.00E+00 m 0 0 0 0 0 260 8.089 109.326 1.474 5 U 126.502 0.00E+00 m 0 0 0 0 0 261 8.093 109.341 1.363 5 U 139.834 0.00E+00 m 0 0 0 0 0 262 8.090 109.323 1.087 5 U 64.566 0.00E+00 m 0 0 0 0 0 263 9.215 125.996 10.304 5 U 56.183 0.00E+00 m 0 0 0 0 0 264 9.212 126.027 8.621 5 U 75.264 0.00E+00 m 0 0 0 0 0 265 9.212 126.010 8.087 5 U 37.911 0.00E+00 m 0 0 0 0 0 266 9.212 126.006 7.636 5 U 92.415 0.00E+00 m 0 0 0 0 0 267 9.211 126.021 4.300 5 U 267.228 0.00E+00 m 0 0 0 0 0 268 9.208 126.022 3.915 5 U 36.161 0.00E+00 m 0 0 0 0 0 269 9.216 125.991 3.595 5 U 110.990 0.00E+00 m 0 0 0 0 0 270 9.214 126.021 2.919 5 U 291.337 0.00E+00 m 0 0 0 0 0 271 9.214 126.015 2.762 5 U 244.711 0.00E+00 m 0 0 0 0 0 272 8.614 108.712 10.256 5 U 15.123 0.00E+00 m 0 0 0 0 0 273 8.621 108.614 9.206 5 U 145.195 0.00E+00 m 0 0 0 0 0 274 8.622 108.598 7.480 5 U 213.457 0.00E+00 m 0 0 0 0 0 275 8.622 108.625 7.335 5 U 36.120 0.00E+00 m 0 0 0 0 0 276 8.622 108.629 6.862 5 U 71.473 0.00E+00 m 0 0 0 0 0 277 8.622 108.578 3.939 5 U 1236.705 0.00E+00 m 0 0 0 0 0 278 8.622 108.581 3.584 5 U 74.087 0.00E+00 m 0 0 0 0 0 279 8.621 108.569 2.923 5 U 265.456 0.00E+00 m 0 0 0 0 0 280 8.621 108.598 2.761 5 U 204.859 0.00E+00 m 0 0 0 0 0 281 8.621 108.621 1.088 5 U 67.991 0.00E+00 m 0 0 0 0 0 282 8.624 108.570 0.657 5 U 22.217 0.00E+00 m 0 0 0 0 0 283 7.479 110.749 8.621 5 U 147.504 0.00E+00 m 0 0 0 0 0 284 7.480 110.729 7.345 5 U 654.690 0.00E+00 m 0 0 0 0 0 285 7.481 110.736 4.175 5 U 411.288 0.00E+00 m 0 0 0 0 0 286 7.480 110.762 3.945 5 U 224.244 0.00E+00 m 0 0 0 0 0 287 7.480 110.749 1.087 5 U 468.627 0.00E+00 m 0 0 0 0 0 288 7.483 110.752 0.652 5 U 84.185 0.00E+00 m 0 0 0 0 0 289 7.338 126.333 8.633 5 U 113.077 0.00E+00 m 0 0 0 0 0 290 7.338 126.325 7.472 5 U 617.591 0.00E+00 m 0 0 0 0 0 291 7.338 126.303 4.177 5 U 199.582 0.00E+00 m 0 0 0 0 0 292 7.339 126.306 4.071 5 U 321.862 0.00E+00 m 0 0 0 0 0 293 7.338 126.372 3.598 5 U 27.024 0.00E+00 m 0 0 0 0 0 294 7.338 126.280 2.370 5 U 18.362 0.00E+00 m 0 0 0 0 0 295 7.335 126.344 2.064 5 U 37.217 0.00E+00 m 0 0 0 0 0 296 7.339 126.230 1.787 5 U 56.960 0.00E+00 m 0 0 0 0 0 297 7.339 126.316 1.549 5 U 246.587 0.00E+00 m 0 0 0 0 0 298 7.338 126.294 1.303 5 U 287.422 0.00E+00 m 0 0 0 0 0 299 7.339 126.327 1.043 5 U 617.551 0.00E+00 m 0 0 0 0 0 300 7.340 126.333 0.660 5 U 544.997 0.00E+00 m 0 0 0 0 0 301 8.648 112.765 7.777 5 U 258.496 0.00E+00 m 0 0 0 0 0 302 8.648 112.710 7.338 5 U 102.907 0.00E+00 m 0 0 0 0 0 303 8.652 112.688 6.999 5 U 33.989 0.00E+00 m 0 0 0 0 0 304 8.649 112.757 4.707 5 U 172.242 0.00E+00 m 0 0 0 0 0 305 8.648 112.745 4.213 5 U 435.475 0.00E+00 m 0 0 0 0 0 306 8.647 112.749 4.073 5 U 1030.961 0.00E+00 m 0 0 0 0 0 307 8.649 112.716 2.943 5 U 61.552 0.00E+00 m 0 0 0 0 0 308 8.647 112.743 2.529 5 U 385.967 0.00E+00 m 0 0 0 0 0 309 8.648 112.752 2.370 5 U 358.616 0.00E+00 m 0 0 0 0 0 310 8.648 112.748 1.649 5 U 516.825 0.00E+00 m 0 0 0 0 0 311 8.648 112.750 1.255 5 U 1407.611 0.00E+00 m 0 0 0 0 0 312 8.648 112.739 1.038 5 U 292.915 0.00E+00 m 0 0 0 0 0 313 8.647 112.739 0.960 5 U 293.376 0.00E+00 m 0 0 0 0 0 314 8.647 112.746 0.662 5 U 433.320 0.00E+00 m 0 0 0 0 0 315 9.205 116.858 4.713 5 U 15.233 0.00E+00 m 0 0 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0.00E+00 m 0 0 0 0 0 334 7.786 120.247 8.571 5 U 524.721 0.00E+00 m 0 0 0 0 0 335 7.786 120.237 8.354 5 U 237.286 0.00E+00 m 0 0 0 0 0 336 7.783 120.234 8.192 5 U 69.389 0.00E+00 m 0 0 0 0 0 337 7.789 120.251 7.004 5 U 41.416 0.00E+00 m 0 0 0 0 0 338 7.786 120.244 4.715 5 U 97.211 0.00E+00 m 0 0 0 0 0 339 7.785 120.235 4.233 5 U 68.939 0.00E+00 m 0 0 0 0 0 340 7.786 120.238 4.015 5 U 1422.182 0.00E+00 m 0 0 0 0 0 341 7.788 120.246 3.171 5 U 49.554 0.00E+00 m 0 0 0 0 0 342 7.786 120.245 2.530 5 U 1164.111 0.00E+00 m 0 0 0 0 0 343 7.788 120.234 2.375 5 U 544.450 0.00E+00 m 0 0 0 0 0 344 7.786 120.248 1.814 5 U 439.843 0.00E+00 m 0 0 0 0 0 345 7.786 120.245 1.655 5 U 1062.818 0.00E+00 m 0 0 0 0 0 346 7.786 120.234 1.265 5 U 370.825 0.00E+00 m 0 0 0 0 0 347 7.785 120.243 0.666 5 U 148.897 0.00E+00 m 0 0 0 0 0 348 8.569 118.791 8.348 5 U 108.654 0.00E+00 m 0 0 0 0 0 349 8.565 118.832 8.190 5 U 204.144 0.00E+00 m 0 0 0 0 0 350 8.565 118.805 8.014 5 U 81.791 0.00E+00 m 0 0 0 0 0 351 8.566 118.827 7.796 5 U 1051.087 0.00E+00 m 0 0 0 0 0 352 8.567 118.827 7.706 5 U 1056.184 0.00E+00 m 0 0 0 0 0 353 8.566 118.823 7.138 5 U 52.099 0.00E+00 m 0 0 0 0 0 354 8.569 118.824 6.996 5 U 13.279 0.00E+00 m 0 0 0 0 0 355 8.565 118.826 6.746 5 U 38.490 0.00E+00 m 0 0 0 0 0 356 8.567 118.813 4.720 5 U 26.685 0.00E+00 m 0 0 0 0 0 357 8.564 118.836 4.221 5 U 47.777 0.00E+00 m 0 0 0 0 0 358 8.568 118.822 3.935 5 U 571.108 0.00E+00 m 0 0 0 0 0 359 8.566 118.829 3.354 5 U 452.128 0.00E+00 m 0 0 0 0 0 360 8.566 118.829 3.175 5 U 33.393 0.00E+00 m 0 0 0 0 0 361 8.566 118.828 2.531 5 U 224.614 0.00E+00 m 0 0 0 0 0 362 8.566 118.827 2.373 5 U 387.000 0.00E+00 m 0 0 0 0 0 363 8.565 118.836 2.070 5 U 160.241 0.00E+00 m 0 0 0 0 0 364 8.566 118.829 1.655 5 U 1254.612 0.00E+00 m 0 0 0 0 0 365 8.567 118.829 1.445 5 U 564.214 0.00E+00 m 0 0 0 0 0 366 8.565 118.833 1.299 5 U 659.550 0.00E+00 m 0 0 0 0 0 367 8.566 118.830 1.093 5 U 322.902 0.00E+00 m 0 0 0 0 0 368 8.566 118.830 0.951 5 U 860.720 0.00E+00 m 0 0 0 0 0 369 8.566 118.822 0.663 5 U 309.804 0.00E+00 m 0 0 0 0 0 370 7.707 118.471 8.564 5 U 256.104 0.00E+00 m 0 0 0 0 0 371 7.709 118.462 8.188 5 U 356.882 0.00E+00 m 0 0 0 0 0 372 7.711 118.430 8.017 5 U 78.205 0.00E+00 m 0 0 0 0 0 373 7.709 118.467 3.961 5 U 1054.731 0.00E+00 m 0 0 0 0 0 374 7.706 118.450 3.633 5 U 31.437 0.00E+00 m 0 0 0 0 0 375 7.710 118.464 3.355 5 U 103.630 0.00E+00 m 0 0 0 0 0 376 7.708 118.468 3.148 5 U 33.947 0.00E+00 m 0 0 0 0 0 377 7.709 118.465 2.428 5 U 316.003 0.00E+00 m 0 0 0 0 0 378 7.709 118.464 2.300 5 U 184.011 0.00E+00 m 0 0 0 0 0 379 7.710 118.459 2.130 5 U 1097.419 0.00E+00 m 0 0 0 0 0 380 7.711 118.491 1.639 5 U 423.787 0.00E+00 m 0 0 0 0 0 381 7.708 118.472 1.449 5 U 162.199 0.00E+00 m 0 0 0 0 0 382 7.711 118.475 0.961 5 U 94.337 0.00E+00 m 0 0 0 0 0 383 8.184 119.273 8.567 5 U 130.965 0.00E+00 m 0 0 0 0 0 384 8.185 119.262 8.004 5 U 905.461 0.00E+00 m 0 0 0 0 0 385 8.184 119.272 7.720 5 U 786.291 0.00E+00 m 0 0 0 0 0 386 8.185 119.262 3.983 5 U 710.038 0.00E+00 m 0 0 0 0 0 387 8.185 119.264 3.852 5 U 1465.142 0.00E+00 m 0 0 0 0 0 388 8.185 119.264 3.621 5 U 752.491 0.00E+00 m 0 0 0 0 0 389 8.185 119.262 3.354 5 U 128.909 0.00E+00 m 0 0 0 0 0 390 8.186 119.270 3.154 5 U 90.910 0.00E+00 m 0 0 0 0 0 391 8.185 119.272 2.429 5 U 193.653 0.00E+00 m 0 0 0 0 0 392 8.185 119.272 2.303 5 U 156.452 0.00E+00 m 0 0 0 0 0 393 8.185 119.263 2.124 5 U 1110.243 0.00E+00 m 0 0 0 0 0 394 8.184 119.235 1.810 5 U 121.442 0.00E+00 m 0 0 0 0 0 395 8.184 119.258 1.430 5 U 162.079 0.00E+00 m 0 0 0 0 0 396 8.185 119.255 1.149 5 U 233.416 0.00E+00 m 0 0 0 0 0 397 8.185 119.262 1.002 5 U 350.289 0.00E+00 m 0 0 0 0 0 398 8.185 119.257 0.668 5 U 43.426 0.00E+00 m 0 0 0 0 0 399 8.003 124.989 8.568 5 U 34.813 0.00E+00 m 0 0 0 0 0 400 8.003 124.983 8.201 5 U 1058.494 0.00E+00 m 0 0 0 0 0 401 8.003 125.039 7.697 5 U 172.632 0.00E+00 m 0 0 0 0 0 402 8.004 125.015 6.747 5 U 20.490 0.00E+00 m 0 0 0 0 0 403 8.011 124.947 6.028 5 U 27.242 0.00E+00 m 0 0 0 0 0 404 8.004 125.010 3.985 5 U 271.972 0.00E+00 m 0 0 0 0 0 405 8.004 124.996 3.853 5 U 786.800 0.00E+00 m 0 0 0 0 0 406 8.004 124.995 3.621 5 U 255.831 0.00E+00 m 0 0 0 0 0 407 8.004 125.018 3.345 5 U 235.016 0.00E+00 m 0 0 0 0 0 408 8.003 124.887 3.113 5 U 17.930 0.00E+00 m 0 0 0 0 0 409 8.010 125.046 2.522 5 U 40.997 0.00E+00 m 0 0 0 0 0 410 8.011 125.116 2.384 5 U 49.291 0.00E+00 m 0 0 0 0 0 411 8.003 124.996 2.120 5 U 140.788 0.00E+00 m 0 0 0 0 0 412 8.004 125.017 1.772 5 U 538.702 0.00E+00 m 0 0 0 0 0 413 8.007 125.049 1.397 5 U 112.826 0.00E+00 m 0 0 0 0 0 414 8.004 125.011 1.159 5 U 1309.308 0.00E+00 m 0 0 0 0 0 415 8.003 124.991 1.009 5 U 373.502 0.00E+00 m 0 0 0 0 0 416 8.005 125.014 0.823 5 U 37.419 0.00E+00 m 0 0 0 0 0 417 8.002 125.000 0.667 5 U 89.867 0.00E+00 m 0 0 0 0 0 418 8.261 115.703 8.006 5 U 653.964 0.00E+00 m 0 0 0 0 0 419 8.261 115.711 7.875 5 U 171.389 0.00E+00 m 0 0 0 0 0 420 8.262 115.711 7.622 5 U 666.878 0.00E+00 m 0 0 0 0 0 421 8.260 115.707 7.141 5 U 25.597 0.00E+00 m 0 0 0 0 0 422 8.262 115.729 6.740 5 U 133.125 0.00E+00 m 0 0 0 0 0 423 8.263 115.769 6.031 5 U 31.325 0.00E+00 m 0 0 0 0 0 424 8.261 115.720 4.103 5 U 90.975 0.00E+00 m 0 0 0 0 0 425 8.261 115.754 3.954 5 U 824.395 0.00E+00 m 0 0 0 0 0 426 8.262 115.702 3.609 5 U 207.263 0.00E+00 m 0 0 0 0 0 427 8.262 115.702 3.730 5 U 680.811 0.00E+00 m 0 0 0 0 0 428 8.261 115.705 3.342 5 U 118.387 0.00E+00 m 0 0 0 0 0 429 8.261 115.701 3.125 5 U 241.405 0.00E+00 m 0 0 0 0 0 430 8.261 115.740 2.041 5 U 1709.296 0.00E+00 m 0 0 0 0 0 431 8.262 115.714 1.799 5 U 3526.909 0.00E+00 m 0 0 0 0 0 432 8.262 115.720 1.430 5 U 1460.311 0.00E+00 m 0 0 0 0 0 433 8.261 115.695 1.163 5 U 932.052 0.00E+00 m 0 0 0 0 0 434 8.263 115.721 1.001 5 U 77.929 0.00E+00 m 0 0 0 0 0 435 8.262 115.702 0.826 5 U 242.018 0.00E+00 m 0 0 0 0 0 436 8.262 115.726 0.660 5 U 42.847 0.00E+00 m 0 0 0 0 0 437 7.622 120.335 8.255 5 U 456.592 0.00E+00 m 0 0 0 0 0 438 7.627 120.313 7.865 5 U 1320.227 0.00E+00 m 0 0 0 0 0 439 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0.00E+00 m 0 0 0 0 0 457 7.870 121.089 2.547 5 U 103.814 0.00E+00 m 0 0 0 0 0 458 7.870 121.101 2.017 5 U 123.251 0.00E+00 m 0 0 0 0 0 459 7.869 121.076 1.772 5 U 517.445 0.00E+00 m 0 0 0 0 0 460 7.870 121.085 1.394 5 U 1161.947 0.00E+00 m 0 0 0 0 0 461 7.869 121.082 1.132 5 U 1602.032 0.00E+00 m 0 0 0 0 0 462 7.871 121.080 0.990 5 U 162.719 0.00E+00 m 0 0 0 0 0 463 7.939 113.008 8.247 5 U 44.459 0.00E+00 m 0 0 0 0 0 464 7.940 113.024 7.834 5 U 4356.620 0.00E+00 m 0 0 0 0 0 465 7.938 113.008 7.635 5 U 289.124 0.00E+00 m 0 0 0 0 0 466 7.939 113.012 7.454 5 U 110.608 0.00E+00 m 0 0 0 0 0 467 7.940 113.024 6.633 5 U 19.959 0.00E+00 m 0 0 0 0 0 468 7.942 113.054 6.244 5 U 14.905 0.00E+00 m 0 0 0 0 0 469 7.940 113.024 4.503 5 U 487.554 0.00E+00 m 0 0 0 0 0 470 7.939 113.022 4.095 5 U 372.885 0.00E+00 m 0 0 0 0 0 471 7.940 113.023 3.928 5 U 120.316 0.00E+00 m 0 0 0 0 0 472 7.939 113.021 3.734 5 U 142.547 0.00E+00 m 0 0 0 0 0 473 7.939 113.023 2.677 5 U 510.367 0.00E+00 m 0 0 0 0 0 474 7.939 113.025 2.540 5 U 485.353 0.00E+00 m 0 0 0 0 0 475 7.940 113.018 2.250 5 U 520.453 0.00E+00 m 0 0 0 0 0 476 7.940 113.021 2.012 5 U 953.129 0.00E+00 m 0 0 0 0 0 477 7.940 113.024 1.411 5 U 235.269 0.00E+00 m 0 0 0 0 0 478 7.940 113.019 1.125 5 U 839.293 0.00E+00 m 0 0 0 0 0 479 7.939 113.032 0.825 5 U 159.108 0.00E+00 m 0 0 0 0 0 480 7.815 109.249 7.923 5 U 1752.214 0.00E+00 m 0 0 0 0 0 481 7.814 109.249 4.508 5 U 193.265 0.00E+00 m 0 0 0 0 0 482 7.815 109.249 4.098 5 U 279.126 0.00E+00 m 0 0 0 0 0 483 7.814 109.252 3.947 5 U 1568.309 0.00E+00 m 0 0 0 0 0 484 7.818 109.235 3.748 5 U 54.613 0.00E+00 m 0 0 0 0 0 485 7.814 109.233 2.676 5 U 63.250 0.00E+00 m 0 0 0 0 0 486 7.815 109.272 2.542 5 U 54.903 0.00E+00 m 0 0 0 0 0 487 7.815 109.248 2.239 5 U 122.262 0.00E+00 m 0 0 0 0 0 488 7.815 109.253 2.011 5 U 178.575 0.00E+00 m 0 0 0 0 0 489 7.814 109.265 1.664 5 U 62.700 0.00E+00 m 0 0 0 0 0 490 7.814 109.245 1.406 5 U 143.577 0.00E+00 m 0 0 0 0 0 491 7.814 109.241 1.112 5 U 136.701 0.00E+00 m 0 0 0 0 0 492 7.814 109.242 0.825 5 U 89.051 0.00E+00 m 0 0 0 0 0 493 7.898 119.483 8.496 5 U 149.066 0.00E+00 m 0 0 0 0 0 494 7.894 119.510 8.258 5 U 72.693 0.00E+00 m 0 0 0 0 0 495 7.905 119.511 7.631 5 U 115.316 0.00E+00 m 0 0 0 0 0 496 7.898 119.406 4.510 5 U 89.976 0.00E+00 m 0 0 0 0 0 497 7.898 119.406 4.092 5 U 911.403 0.00E+00 m 0 0 0 0 0 498 7.898 119.406 3.951 5 U 951.636 0.00E+00 m 0 0 0 0 0 499 7.898 119.406 3.736 5 U 293.481 0.00E+00 m 0 0 0 0 0 500 7.898 119.406 3.119 5 U 52.851 0.00E+00 m 0 0 0 0 0 501 7.897 119.406 2.560 5 U 68.838 0.00E+00 m 0 0 0 0 0 502 7.898 119.406 2.682 5 U 63.371 0.00E+00 m 0 0 0 0 0 503 7.898 119.406 2.235 5 U 163.644 0.00E+00 m 0 0 0 0 0 504 7.897 119.406 2.020 5 U 387.747 0.00E+00 m 0 0 0 0 0 505 7.899 119.406 1.820 5 U 328.643 0.00E+00 m 0 0 0 0 0 506 7.898 119.406 1.661 5 U 1289.850 0.00E+00 m 0 0 0 0 0 507 7.898 119.406 1.429 5 U 849.956 0.00E+00 m 0 0 0 0 0 508 7.898 119.406 1.062 5 U 536.675 0.00E+00 m 0 0 0 0 0 509 7.898 119.406 0.832 5 U 829.008 0.00E+00 m 0 0 0 0 0 510 8.495 127.108 7.913 5 U 434.254 0.00E+00 m 0 0 0 0 0 511 8.496 127.121 4.288 5 U 569.002 0.00E+00 m 0 0 0 0 0 512 8.495 127.117 4.097 5 U 2146.000 0.00E+00 m 0 0 0 0 0 513 8.495 127.151 3.130 5 U 21.918 0.00E+00 m 0 0 0 0 0 514 8.493 127.202 2.951 5 U 18.405 0.00E+00 m 0 0 0 0 0 515 8.495 127.119 1.797 5 U 985.367 0.00E+00 m 0 0 0 0 0 516 8.495 127.114 1.674 5 U 891.861 0.00E+00 m 0 0 0 0 0 517 8.495 127.115 1.413 5 U 503.230 0.00E+00 m 0 0 0 0 0 518 8.495 127.114 1.066 5 U 162.082 0.00E+00 m 0 0 0 0 0 519 8.495 127.115 0.841 5 U 791.888 0.00E+00 m 0 0 0 0 0 520 7.925 129.988 8.493 5 U 218.562 0.00E+00 m 0 0 0 0 0 521 7.924 129.986 4.291 5 U 1363.463 0.00E+00 m 0 0 0 0 0 522 7.925 129.987 4.078 5 U 505.558 0.00E+00 m 0 0 0 0 0 523 7.924 130.000 3.124 5 U 96.281 0.00E+00 m 0 0 0 0 0 524 7.922 130.020 2.962 5 U 11.200 0.00E+00 m 0 0 0 0 0 525 7.924 129.982 1.802 5 U 358.062 0.00E+00 m 0 0 0 0 0 526 7.924 129.981 1.665 5 U 268.113 0.00E+00 m 0 0 0 0 0 527 7.924 129.986 1.453 5 U 1571.176 0.00E+00 m 0 0 0 0 0 528 7.921 129.951 1.061 5 U 25.546 0.00E+00 m 0 0 0 0 0 529 7.924 129.990 0.823 5 U 342.807 0.00E+00 m 0 0 0 0 0 530 10.794 132.061 7.751 5 U 392.530 0.00E+00 m 0 0 0 0 0 531 10.794 132.028 6.253 5 U 117.692 0.00E+00 m 0 0 0 0 0 532 10.795 132.044 1.132 5 U 57.402 0.00E+00 m 0 0 0 0 0 533 10.795 132.053 0.991 5 U 212.347 0.00E+00 m 0 0 0 0 0 534 10.792 132.015 0.838 5 U 195.975 0.00E+00 m 0 0 0 0 0 535 10.237 128.999 8.606 5 U 31.767 0.00E+00 m 0 0 0 0 0 536 10.237 128.991 7.132 5 U 498.541 0.00E+00 m 0 0 0 0 0 537 10.237 128.985 6.872 5 U 864.843 0.00E+00 m 0 0 0 0 0 538 10.238 128.981 3.900 5 U 120.400 0.00E+00 m 0 0 0 0 0 539 10.236 128.972 3.354 5 U 17.084 0.00E+00 m 0 0 0 0 0 540 10.236 128.976 2.923 5 U 76.663 0.00E+00 m 0 0 0 0 0 541 10.237 128.966 2.762 5 U 42.213 0.00E+00 m 0 0 0 0 0 542 10.237 128.984 2.058 5 U 108.389 0.00E+00 m 0 0 0 0 0 543 10.236 128.982 1.785 5 U 197.362 0.00E+00 m 0 0 0 0 0 544 10.237 128.985 1.635 5 U 66.145 0.00E+00 m 0 0 0 0 0 545 10.238 128.993 1.435 5 U 84.771 0.00E+00 m 0 0 0 0 0 546 10.237 128.982 1.246 5 U 151.673 0.00E+00 m 0 0 0 0 0 547 10.237 128.981 1.104 5 U 155.737 0.00E+00 m 0 0 0 0 0 548 10.239 128.961 0.953 5 U 67.595 0.00E+00 m 0 0 0 0 0 549 10.237 128.984 0.819 5 U 23.990 0.00E+00 m 0 0 0 0 0 550 10.236 128.979 0.660 5 U 45.719 0.00E+00 m 0 0 0 0 0 551 10.308 128.218 9.208 5 U 147.139 0.00E+00 m 0 0 0 0 0 552 10.306 128.312 8.627 5 U 25.562 0.00E+00 m 0 0 0 0 0 553 10.311 128.208 8.197 5 U 23.497 0.00E+00 m 0 0 0 0 0 554 10.312 128.225 7.932 5 U 14.867 0.00E+00 m 0 0 0 0 0 555 10.307 128.227 7.631 5 U 727.498 0.00E+00 m 0 0 0 0 0 556 10.307 128.225 7.349 5 U 533.965 0.00E+00 m 0 0 0 0 0 557 10.309 128.204 6.989 5 U 102.083 0.00E+00 m 0 0 0 0 0 558 10.305 128.200 4.611 5 U 50.898 0.00E+00 m 0 0 0 0 0 559 10.308 128.234 4.287 5 U 119.666 0.00E+00 m 0 0 0 0 0 560 10.306 128.225 3.904 5 U 65.397 0.00E+00 m 0 0 0 0 0 561 10.308 128.226 3.599 5 U 81.030 0.00E+00 m 0 0 0 0 0 562 10.308 128.227 2.921 5 U 106.833 0.00E+00 m 0 0 0 0 0 563 10.307 128.238 2.193 5 U 82.591 0.00E+00 m 0 0 0 0 0 564 10.307 128.238 1.926 5 U 141.612 0.00E+00 m 0 0 0 0 0 565 10.304 128.192 0.499 5 U 20.528 0.00E+00 m 0 0 0 0 0 566 10.304 128.280 0.265 5 U 42.032 0.00E+00 m 0 0 0 0 0 567 7.627 112.908 10.291 5 U 14.131 0.00E+00 m 0 0 0 0 0 568 7.628 112.766 8.726 5 U 29.496 0.00E+00 m 0 0 0 0 0 569 6.902 112.738 8.719 5 U 17.583 0.00E+00 m 0 0 0 0 0 570 7.630 112.746 8.173 5 U 32.361 0.00E+00 m 0 0 0 0 0 571 6.903 112.655 8.192 5 U 69.587 0.00E+00 m 0 0 0 0 0 572 7.628 112.810 6.904 5 U 4007.470 0.00E+00 m 0 0 0 0 0 573 6.903 112.812 7.629 5 U 3821.976 0.00E+00 m 0 0 0 0 0 574 7.629 112.792 4.616 5 U 85.542 0.00E+00 m 0 0 0 0 0 575 6.902 112.848 4.612 5 U 56.372 0.00E+00 m 0 0 0 0 0 576 7.625 112.902 4.241 5 U 10.120 0.00E+00 m 0 0 0 0 0 577 6.903 112.913 4.255 5 U 26.009 0.00E+00 m 0 0 0 0 0 578 7.629 112.913 3.927 5 U 46.217 0.00E+00 m 0 0 0 0 0 579 6.903 112.913 3.918 5 U 55.529 0.00E+00 m 0 0 0 0 0 580 7.629 112.775 2.677 5 U 764.739 0.00E+00 m 0 0 0 0 0 581 6.903 112.805 2.679 5 U 356.104 0.00E+00 m 0 0 0 0 0 582 7.664 113.345 7.006 5 U 2522.097 0.00E+00 m 0 0 0 0 0 583 7.005 113.345 7.662 5 U 5293.330 0.00E+00 m 0 0 0 0 0 584 7.662 113.345 3.856 5 U 69.512 0.00E+00 m 0 0 0 0 0 585 7.006 113.338 3.860 5 U 57.454 0.00E+00 m 0 0 0 0 0 586 7.662 113.331 2.492 5 U 302.484 0.00E+00 m 0 0 0 0 0 587 7.005 113.342 2.491 5 U 172.362 0.00E+00 m 0 0 0 0 0 588 7.661 113.339 2.287 5 U 65.369 0.00E+00 m 0 0 0 0 0 589 7.008 113.298 2.280 5 U 35.558 0.00E+00 m 0 0 0 0 0 590 7.661 113.313 1.612 5 U 31.968 0.00E+00 m 0 0 0 0 0 591 7.006 113.314 1.618 5 U 47.085 0.00E+00 m 0 0 0 0 0 592 7.007 113.321 0.843 5 U 107.781 0.00E+00 m 0 0 0 0 0 593 7.661 113.351 0.712 5 U 88.117 0.00E+00 m 0 0 0 0 0 594 7.005 113.328 0.711 5 U 130.292 0.00E+00 m 0 0 0 0 0 595 7.256 109.585 8.421 5 U 42.952 0.00E+00 m 0 0 0 0 0 596 6.683 109.605 8.420 5 U 36.481 0.00E+00 m 0 0 0 0 0 597 7.256 109.585 8.205 5 U 42.520 0.00E+00 m 0 0 0 0 0 598 6.684 109.586 8.184 5 U 25.557 0.00E+00 m 0 0 0 0 0 599 7.256 109.637 6.686 5 U 3127.754 0.00E+00 m 0 0 0 0 0 600 6.684 109.639 7.256 5 U 3080.291 0.00E+00 m 0 0 0 0 0 601 7.255 109.617 4.612 5 U 33.392 0.00E+00 m 0 0 0 0 0 602 6.683 109.632 4.613 5 U 24.526 0.00E+00 m 0 0 0 0 0 603 7.256 109.574 4.237 5 U 24.575 0.00E+00 m 0 0 0 0 0 604 6.683 109.602 4.238 5 U 21.808 0.00E+00 m 0 0 0 0 0 605 7.255 109.619 3.927 5 U 140.147 0.00E+00 m 0 0 0 0 0 606 6.684 109.622 3.935 5 U 69.645 0.00E+00 m 0 0 0 0 0 607 7.256 109.629 3.806 5 U 160.255 0.00E+00 m 0 0 0 0 0 608 6.685 109.618 3.806 5 U 198.055 0.00E+00 m 0 0 0 0 0 609 7.256 109.623 3.457 5 U 53.732 0.00E+00 m 0 0 0 0 0 610 6.682 109.578 3.446 5 U 28.901 0.00E+00 m 0 0 0 0 0 611 7.257 109.606 3.126 5 U 52.932 0.00E+00 m 0 0 0 0 0 612 6.684 109.620 3.122 5 U 56.172 0.00E+00 m 0 0 0 0 0 613 7.258 109.603 2.664 5 U 24.927 0.00E+00 m 0 0 0 0 0 614 6.684 109.611 2.667 5 U 10.124 0.00E+00 m 0 0 0 0 0 615 7.256 109.617 2.244 5 U 252.786 0.00E+00 m 0 0 0 0 0 616 6.685 109.621 2.243 5 U 134.889 0.00E+00 m 0 0 0 0 0 617 7.256 109.619 2.097 5 U 513.270 0.00E+00 m 0 0 0 0 0 618 6.684 109.625 2.086 5 U 303.150 0.00E+00 m 0 0 0 0 0 619 7.256 109.622 1.758 5 U 157.255 0.00E+00 m 0 0 0 0 0 620 6.684 109.624 1.756 5 U 183.463 0.00E+00 m 0 0 0 0 0 621 7.257 109.627 1.596 5 U 151.132 0.00E+00 m 0 0 0 0 0 622 6.683 109.621 1.599 5 U 142.098 0.00E+00 m 0 0 0 0 0 623 7.256 109.625 1.159 5 U 166.990 0.00E+00 m 0 0 0 0 0 624 6.684 109.625 1.156 5 U 198.780 0.00E+00 m 0 0 0 0 0 625 7.256 109.585 0.871 5 U 39.050 0.00E+00 m 0 0 0 0 0 626 6.685 109.583 0.882 5 U 19.759 0.00E+00 m 0 0 0 0 0 627 7.256 109.623 0.501 5 U 99.421 0.00E+00 m 0 0 0 0 0 628 6.685 109.645 0.502 5 U 55.438 0.00E+00 m 0 0 0 0 0 629 7.258 109.675 0.270 5 U 24.603 0.00E+00 m 0 0 0 0 0 630 6.683 109.599 0.280 5 U 28.222 0.00E+00 m 0 0 0 0 0 631 7.746 110.859 8.634 5 U 56.510 0.00E+00 m 0 0 0 0 0 632 7.001 110.904 8.635 5 U 42.762 0.00E+00 m 0 0 0 0 0 633 7.747 110.909 7.002 5 U 2278.923 0.00E+00 m 0 0 0 0 0 634 7.000 110.910 7.749 5 U 2242.114 0.00E+00 m 0 0 0 0 0 635 7.747 110.910 4.030 5 U 298.749 0.00E+00 m 0 0 0 0 0 636 7.000 110.910 4.030 5 U 213.116 0.00E+00 m 0 0 0 0 0 637 7.751 110.948 3.291 5 U 207.036 0.00E+00 m 0 0 0 0 0 638 7.000 110.909 3.294 5 U 85.125 0.00E+00 m 0 0 0 0 0 639 7.747 110.904 2.960 5 U 37.592 0.00E+00 m 0 0 0 0 0 640 6.999 110.863 2.946 5 U 61.706 0.00E+00 m 0 0 0 0 0 641 7.747 110.877 2.526 5 U 887.075 0.00E+00 m 0 0 0 0 0 642 7.000 110.908 2.526 5 U 699.058 0.00E+00 m 0 0 0 0 0 643 7.747 110.881 2.174 5 U 136.201 0.00E+00 m 0 0 0 0 0 644 6.999 110.902 2.176 5 U 97.622 0.00E+00 m 0 0 0 0 0 645 7.747 110.905 1.536 5 U 141.909 0.00E+00 m 0 0 0 0 0 646 7.000 110.881 1.534 5 U 186.707 0.00E+00 m 0 0 0 0 0 647 7.747 110.889 1.392 5 U 73.842 0.00E+00 m 0 0 0 0 0 648 6.998 110.900 1.395 5 U 110.295 0.00E+00 m 0 0 0 0 0 649 7.747 110.904 1.252 5 U 118.082 0.00E+00 m 0 0 0 0 0 650 7.000 110.889 1.251 5 U 133.624 0.00E+00 m 0 0 0 0 0 651 7.747 110.874 0.664 5 U 64.283 0.00E+00 m 0 0 0 0 0 652 7.000 110.911 0.660 5 U 78.769 0.00E+00 m 0 0 0 0 0 653 7.476 112.251 6.883 5 U 3526.106 0.00E+00 m 0 0 0 0 0 654 6.885 112.216 7.475 5 U 4037.666 0.00E+00 m 0 0 0 0 0 655 7.479 112.241 3.138 5 U 39.793 0.00E+00 m 0 0 0 0 0 656 7.476 112.226 2.433 5 U 194.517 0.00E+00 m 0 0 0 0 0 657 6.885 112.243 2.439 5 U 126.651 0.00E+00 m 0 0 0 0 0 658 7.475 112.217 2.314 5 U 116.239 0.00E+00 m 0 0 0 0 0 659 6.885 112.230 2.306 5 U 92.820 0.00E+00 m 0 0 0 0 0 660 7.478 112.215 2.134 5 U 85.886 0.00E+00 m 0 0 0 0 0 661 6.886 112.240 2.138 5 U 73.842 0.00E+00 m 0 0 0 0 0 662 7.478 112.251 1.801 5 U 28.960 0.00E+00 m 0 0 0 0 0 663 6.888 112.283 1.789 5 U 34.622 0.00E+00 m 0 0 0 0 0 664 7.479 112.243 1.658 5 U 23.775 0.00E+00 m 0 0 0 0 0 665 7.478 112.246 1.403 5 U 52.067 0.00E+00 m 0 0 0 0 0 666 6.885 112.233 1.404 5 U 44.930 0.00E+00 m 0 0 0 0 0 667 7.769 111.209 8.930 5 U 28.374 0.00E+00 m 0 0 0 0 0 668 7.768 111.144 3.401 5 U 121.979 0.00E+00 m 0 0 0 0 0 669 7.767 111.225 1.941 5 U 127.375 0.00E+00 m 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 15.98 ppm . . . 4.916 . . 34946 1 2 . . N 15 N . 'not observed' 27 ppm . . . 119.735 . . 34946 1 3 . . H 1 H . 'not observed' 15.98 ppm . . . 4.916 . . 34946 1 stop_ save_