data_34864 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34864 _Entry.Title ; Folded alpha helical de novo proteins from Apilactobacillus kunkeei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-26 _Entry.Accession_date 2023-09-26 _Entry.Last_release_date 2023-12-15 _Entry.Original_release_date 2023-12-15 _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 C. Celestine C. . . . 34864 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'UNKNOWN FUNCTION' . 34864 'secreted protein' . 34864 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34864 spectral_peak_list 1 34864 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 143 34864 '15N chemical shifts' 73 34864 '1H chemical shifts' 438 34864 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-03-14 2023-09-26 update BMRB 'update entry citation' 34864 1 . . 2024-02-14 2023-09-26 original author 'original release' 34864 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8QNJ 'BMRB Entry Tracking System' 34864 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34864 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38355092 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Folded Alpha Helical Putative New Proteins from Apilactobacillus kunkeei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 436 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 168490 _Citation.Page_last 168490 _Citation.Year 2024 _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 Weihua Ye W. . . . 34864 1 2 'Phani Rama' 'Krishna Behra' P. R. . . 34864 1 3 Karl Dyrhage K. . . . 34864 1 4 Christian Seeger C. . . . 34864 1 5 Joe Joiner J. D. . . 34864 1 6 Elin Karlsson E. . . . 34864 1 7 Eva Andersson E. . . . 34864 1 8 Celestine Chi C. N. . . 34864 1 9 Siv Andersson . . . . 34864 1 10 Per Jemth P. . . . 34864 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34864 _Assembly.ID 1 _Assembly.Name 'Lenovo 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 . . . . . . 34864 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34864 _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 ; GSMKKEELIDKIKANNRLLN AVVQEMYLDNSLDIKTRDYY ASNITSVRQNGDQIIQILDE EGIAE ; _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 65 _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 7437.335 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34864 1 2 . SER . 34864 1 3 . MET . 34864 1 4 . LYS . 34864 1 5 . LYS . 34864 1 6 . GLU . 34864 1 7 . GLU . 34864 1 8 . LEU . 34864 1 9 . ILE . 34864 1 10 . ASP . 34864 1 11 . LYS . 34864 1 12 . ILE . 34864 1 13 . LYS . 34864 1 14 . ALA . 34864 1 15 . ASN . 34864 1 16 . ASN . 34864 1 17 . ARG . 34864 1 18 . LEU . 34864 1 19 . LEU . 34864 1 20 . ASN . 34864 1 21 . ALA . 34864 1 22 . VAL . 34864 1 23 . VAL . 34864 1 24 . GLN . 34864 1 25 . GLU . 34864 1 26 . MET . 34864 1 27 . TYR . 34864 1 28 . LEU . 34864 1 29 . ASP . 34864 1 30 . ASN . 34864 1 31 . SER . 34864 1 32 . LEU . 34864 1 33 . ASP . 34864 1 34 . ILE . 34864 1 35 . LYS . 34864 1 36 . THR . 34864 1 37 . ARG . 34864 1 38 . ASP . 34864 1 39 . TYR . 34864 1 40 . TYR . 34864 1 41 . ALA . 34864 1 42 . SER . 34864 1 43 . ASN . 34864 1 44 . ILE . 34864 1 45 . THR . 34864 1 46 . SER . 34864 1 47 . VAL . 34864 1 48 . ARG . 34864 1 49 . GLN . 34864 1 50 . ASN . 34864 1 51 . GLY . 34864 1 52 . ASP . 34864 1 53 . GLN . 34864 1 54 . ILE . 34864 1 55 . ILE . 34864 1 56 . GLN . 34864 1 57 . ILE . 34864 1 58 . LEU . 34864 1 59 . ASP . 34864 1 60 . GLU . 34864 1 61 . GLU . 34864 1 62 . GLY . 34864 1 63 . ILE . 34864 1 64 . ALA . 34864 1 65 . GLU . 34864 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 . GLY 1 1 34864 1 . SER 2 2 34864 1 . MET 3 3 34864 1 . LYS 4 4 34864 1 . LYS 5 5 34864 1 . GLU 6 6 34864 1 . GLU 7 7 34864 1 . LEU 8 8 34864 1 . ILE 9 9 34864 1 . ASP 10 10 34864 1 . LYS 11 11 34864 1 . ILE 12 12 34864 1 . LYS 13 13 34864 1 . ALA 14 14 34864 1 . ASN 15 15 34864 1 . ASN 16 16 34864 1 . ARG 17 17 34864 1 . LEU 18 18 34864 1 . LEU 19 19 34864 1 . ASN 20 20 34864 1 . ALA 21 21 34864 1 . VAL 22 22 34864 1 . VAL 23 23 34864 1 . GLN 24 24 34864 1 . GLU 25 25 34864 1 . MET 26 26 34864 1 . TYR 27 27 34864 1 . LEU 28 28 34864 1 . ASP 29 29 34864 1 . ASN 30 30 34864 1 . SER 31 31 34864 1 . LEU 32 32 34864 1 . ASP 33 33 34864 1 . ILE 34 34 34864 1 . LYS 35 35 34864 1 . THR 36 36 34864 1 . ARG 37 37 34864 1 . ASP 38 38 34864 1 . TYR 39 39 34864 1 . TYR 40 40 34864 1 . ALA 41 41 34864 1 . SER 42 42 34864 1 . ASN 43 43 34864 1 . ILE 44 44 34864 1 . THR 45 45 34864 1 . SER 46 46 34864 1 . VAL 47 47 34864 1 . ARG 48 48 34864 1 . GLN 49 49 34864 1 . ASN 50 50 34864 1 . GLY 51 51 34864 1 . ASP 52 52 34864 1 . GLN 53 53 34864 1 . ILE 54 54 34864 1 . ILE 55 55 34864 1 . GLN 56 56 34864 1 . ILE 57 57 34864 1 . LEU 58 58 34864 1 . ASP 59 59 34864 1 . GLU 60 60 34864 1 . GLU 61 61 34864 1 . GLY 62 62 34864 1 . ILE 63 63 34864 1 . ALA 64 64 34864 1 . GLU 65 65 34864 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 34864 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . FG111_01670 . 34864 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 34864 _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 . . . . . . . . . . 34864 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34864 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-10% 13C; U-99% 15N] Orphan 5, 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 'Orphan 5' '[U-10% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34864 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 34864 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34864 1 pH 6.5 . pH 34864 1 pressure 1 . atm 34864 1 temperature 298 . K 34864 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34864 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34864 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34864 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34864 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34864 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34864 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34864 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34864 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34864 3 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 34864 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34864 _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 NEO' . 600 . . . 34864 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 34864 _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 . . . . . . . . . . . . . . . . . 34864 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34864 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34864 1 4 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34864 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34864 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34864 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34864 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 34864 _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 1 na indirect 0.25144953 . . . . . 34864 1 H 1 DSS 'methyl protons' . . . . ppm 1 na direct 1.0 . . . . . 34864 1 N 15 DSS 'methyl protons' . . . . ppm 1 internal indirect 0.25144953 . . . . . 34864 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 34864 _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' . . . 34864 1 2 '2D 1H-13C HSQC' . . . 34864 1 3 '3D HNCACB' . . . 34864 1 4 '3D HN(COCA)CB' . . . 34864 1 5 '3D 1H-13C NOESY' . . . 34864 1 6 '3D 1H-15N NOESY' . . . 34864 1 7 '3D 1H-15N TOCSY' . . . 34864 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 2 2 SER HA H 1 4.268 0.005 . . . . . . A 2 SER HA . 34864 1 2 . 1 . 1 2 2 SER HB2 H 1 3.611 0.019 . . . . . . A 2 SER HB2 . 34864 1 3 . 1 . 1 2 2 SER HB3 H 1 3.677 0.016 . . . . . . A 2 SER HB3 . 34864 1 4 . 1 . 1 2 2 SER CA C 13 55.852 0.069 . . . . . . A 2 SER CA . 34864 1 5 . 1 . 1 2 2 SER CB C 13 61.525 0.024 . . . . . . A 2 SER CB . 34864 1 6 . 1 . 1 3 3 MET H H 1 8.378 0.003 . . . . . . A 3 MET H . 34864 1 7 . 1 . 1 3 3 MET HA H 1 4.366 0.003 . . . . . . A 3 MET HA . 34864 1 8 . 1 . 1 3 3 MET HB2 H 1 1.926 0.005 . . . . . . A 3 MET HB2 . 34864 1 9 . 1 . 1 3 3 MET HG2 H 1 2.483 0.009 . . . . . . A 3 MET HG2 . 34864 1 10 . 1 . 1 3 3 MET HG3 H 1 2.498 0.010 . . . . . . A 3 MET HG3 . 34864 1 11 . 1 . 1 3 3 MET CA C 13 53.379 0.057 . . . . . . A 3 MET CA . 34864 1 12 . 1 . 1 3 3 MET CB C 13 31.959 0.042 . . . . . . A 3 MET CB . 34864 1 13 . 1 . 1 3 3 MET CG C 13 29.204 0.048 . . . . . . A 3 MET CG . 34864 1 14 . 1 . 1 3 3 MET N N 15 123.359 0.027 . . . . . . A 3 MET N . 34864 1 15 . 1 . 1 4 4 LYS H H 1 8.738 0.004 . . . . . . A 4 LYS H . 34864 1 16 . 1 . 1 4 4 LYS HA H 1 4.530 0.006 . . . . . . A 4 LYS HA . 34864 1 17 . 1 . 1 4 4 LYS HB2 H 1 1.669 0.007 . . . . . . A 4 LYS HB2 . 34864 1 18 . 1 . 1 4 4 LYS HB3 H 1 2.102 0.005 . . . . . . A 4 LYS HB3 . 34864 1 19 . 1 . 1 4 4 LYS HG2 H 1 1.471 0.006 . . . . . . A 4 LYS HG2 . 34864 1 20 . 1 . 1 4 4 LYS HG3 H 1 1.566 0.013 . . . . . . A 4 LYS HG3 . 34864 1 21 . 1 . 1 4 4 LYS HE2 H 1 2.968 0.009 . . . . . . A 4 LYS HE2 . 34864 1 22 . 1 . 1 4 4 LYS CA C 13 53.183 0.036 . . . . . . A 4 LYS CA . 34864 1 23 . 1 . 1 4 4 LYS CB C 13 30.552 0.039 . . . . . . A 4 LYS CB . 34864 1 24 . 1 . 1 4 4 LYS CG C 13 22.512 0.058 . . . . . . A 4 LYS CG . 34864 1 25 . 1 . 1 4 4 LYS N N 15 124.941 0.033 . . . . . . A 4 LYS N . 34864 1 26 . 1 . 1 5 5 LYS H H 1 9.131 0.002 . . . . . . A 5 LYS H . 34864 1 27 . 1 . 1 5 5 LYS HA H 1 3.722 0.012 . . . . . . A 5 LYS HA . 34864 1 28 . 1 . 1 5 5 LYS HB2 H 1 1.838 0.006 . . . . . . A 5 LYS HB2 . 34864 1 29 . 1 . 1 5 5 LYS HB3 H 1 1.754 0.012 . . . . . . A 5 LYS HB3 . 34864 1 30 . 1 . 1 5 5 LYS HG2 H 1 1.382 0.021 . . . . . . A 5 LYS HG2 . 34864 1 31 . 1 . 1 5 5 LYS HG3 H 1 1.277 0.016 . . . . . . A 5 LYS HG3 . 34864 1 32 . 1 . 1 5 5 LYS HD2 H 1 1.656 0.011 . . . . . . A 5 LYS HD2 . 34864 1 33 . 1 . 1 5 5 LYS CA C 13 58.370 0.045 . . . . . . A 5 LYS CA . 34864 1 34 . 1 . 1 5 5 LYS CB C 13 29.367 0.014 . . . . . . A 5 LYS CB . 34864 1 35 . 1 . 1 5 5 LYS N N 15 124.368 0.013 . . . . . . A 5 LYS N . 34864 1 36 . 1 . 1 6 6 GLU H H 1 9.364 0.003 . . . . . . A 6 GLU H . 34864 1 37 . 1 . 1 6 6 GLU HA H 1 3.879 0.009 . . . . . . A 6 GLU HA . 34864 1 38 . 1 . 1 6 6 GLU HB2 H 1 1.970 0.009 . . . . . . A 6 GLU HB2 . 34864 1 39 . 1 . 1 6 6 GLU HB3 H 1 1.832 0.004 . . . . . . A 6 GLU HB3 . 34864 1 40 . 1 . 1 6 6 GLU HG2 H 1 2.312 0.019 . . . . . . A 6 GLU HG2 . 34864 1 41 . 1 . 1 6 6 GLU HG3 H 1 2.239 0.001 . . . . . . A 6 GLU HG3 . 34864 1 42 . 1 . 1 6 6 GLU CA C 13 57.548 0.008 . . . . . . A 6 GLU CA . 34864 1 43 . 1 . 1 6 6 GLU CB C 13 26.088 0.039 . . . . . . A 6 GLU CB . 34864 1 44 . 1 . 1 6 6 GLU CG C 13 34.013 0.013 . . . . . . A 6 GLU CG . 34864 1 45 . 1 . 1 6 6 GLU N N 15 116.651 0.018 . . . . . . A 6 GLU N . 34864 1 46 . 1 . 1 7 7 GLU H H 1 6.969 0.003 . . . . . . A 7 GLU H . 34864 1 47 . 1 . 1 7 7 GLU HA H 1 4.134 0.005 . . . . . . A 7 GLU HA . 34864 1 48 . 1 . 1 7 7 GLU HB2 H 1 2.000 0.010 . . . . . . A 7 GLU HB2 . 34864 1 49 . 1 . 1 7 7 GLU HB3 H 1 2.235 0.005 . . . . . . A 7 GLU HB3 . 34864 1 50 . 1 . 1 7 7 GLU HG2 H 1 2.484 0.004 . . . . . . A 7 GLU HG2 . 34864 1 51 . 1 . 1 7 7 GLU CA C 13 55.816 0.028 . . . . . . A 7 GLU CA . 34864 1 52 . 1 . 1 7 7 GLU CB C 13 27.210 0.042 . . . . . . A 7 GLU CB . 34864 1 53 . 1 . 1 7 7 GLU N N 15 118.805 0.029 . . . . . . A 7 GLU N . 34864 1 54 . 1 . 1 8 8 LEU H H 1 7.710 0.004 . . . . . . A 8 LEU H . 34864 1 55 . 1 . 1 8 8 LEU HA H 1 3.971 0.005 . . . . . . A 8 LEU HA . 34864 1 56 . 1 . 1 8 8 LEU HB2 H 1 1.837 0.007 . . . . . . A 8 LEU HB2 . 34864 1 57 . 1 . 1 8 8 LEU HB3 H 1 1.583 0.004 . . . . . . A 8 LEU HB3 . 34864 1 58 . 1 . 1 8 8 LEU HG H 1 1.488 0.001 . . . . . . A 8 LEU HG . 34864 1 59 . 1 . 1 8 8 LEU HD11 H 1 0.830 0.008 . . . . . . A 8 LEU HD11 . 34864 1 60 . 1 . 1 8 8 LEU HD12 H 1 0.830 0.008 . . . . . . A 8 LEU HD12 . 34864 1 61 . 1 . 1 8 8 LEU HD13 H 1 0.830 0.008 . . . . . . A 8 LEU HD13 . 34864 1 62 . 1 . 1 8 8 LEU HD21 H 1 0.726 0.011 . . . . . . A 8 LEU HD21 . 34864 1 63 . 1 . 1 8 8 LEU HD22 H 1 0.726 0.011 . . . . . . A 8 LEU HD22 . 34864 1 64 . 1 . 1 8 8 LEU HD23 H 1 0.726 0.011 . . . . . . A 8 LEU HD23 . 34864 1 65 . 1 . 1 8 8 LEU CA C 13 55.770 0.035 . . . . . . A 8 LEU CA . 34864 1 66 . 1 . 1 8 8 LEU CB C 13 38.659 0.059 . . . . . . A 8 LEU CB . 34864 1 67 . 1 . 1 8 8 LEU N N 15 121.104 0.026 . . . . . . A 8 LEU N . 34864 1 68 . 1 . 1 9 9 ILE H H 1 8.336 0.005 . . . . . . A 9 ILE H . 34864 1 69 . 1 . 1 9 9 ILE HA H 1 3.337 0.003 . . . . . . A 9 ILE HA . 34864 1 70 . 1 . 1 9 9 ILE HB H 1 1.822 0.003 . . . . . . A 9 ILE HB . 34864 1 71 . 1 . 1 9 9 ILE HG12 H 1 0.892 0.012 . . . . . . A 9 ILE HG12 . 34864 1 72 . 1 . 1 9 9 ILE HG13 H 1 1.195 0.000 . . . . . . A 9 ILE HG13 . 34864 1 73 . 1 . 1 9 9 ILE HG21 H 1 0.813 0.017 . . . . . . A 9 ILE HG21 . 34864 1 74 . 1 . 1 9 9 ILE HG22 H 1 0.813 0.017 . . . . . . A 9 ILE HG22 . 34864 1 75 . 1 . 1 9 9 ILE HG23 H 1 0.813 0.017 . . . . . . A 9 ILE HG23 . 34864 1 76 . 1 . 1 9 9 ILE HD11 H 1 0.695 0.005 . . . . . . A 9 ILE HD11 . 34864 1 77 . 1 . 1 9 9 ILE HD12 H 1 0.695 0.005 . . . . . . A 9 ILE HD12 . 34864 1 78 . 1 . 1 9 9 ILE HD13 H 1 0.695 0.005 . . . . . . A 9 ILE HD13 . 34864 1 79 . 1 . 1 9 9 ILE CA C 13 64.190 0.016 . . . . . . A 9 ILE CA . 34864 1 80 . 1 . 1 9 9 ILE CB C 13 35.489 0.053 . . . . . . A 9 ILE CB . 34864 1 81 . 1 . 1 9 9 ILE N N 15 118.309 0.043 . . . . . . A 9 ILE N . 34864 1 82 . 1 . 1 10 10 ASP H H 1 7.784 0.005 . . . . . . A 10 ASP H . 34864 1 83 . 1 . 1 10 10 ASP HA H 1 4.355 0.012 . . . . . . A 10 ASP HA . 34864 1 84 . 1 . 1 10 10 ASP HB2 H 1 2.625 0.004 . . . . . . A 10 ASP HB2 . 34864 1 85 . 1 . 1 10 10 ASP HB3 H 1 2.773 0.004 . . . . . . A 10 ASP HB3 . 34864 1 86 . 1 . 1 10 10 ASP CA C 13 55.407 0.026 . . . . . . A 10 ASP CA . 34864 1 87 . 1 . 1 10 10 ASP CB C 13 38.017 0.056 . . . . . . A 10 ASP CB . 34864 1 88 . 1 . 1 10 10 ASP N N 15 118.979 0.078 . . . . . . A 10 ASP N . 34864 1 89 . 1 . 1 11 11 LYS H H 1 8.063 0.004 . . . . . . A 11 LYS H . 34864 1 90 . 1 . 1 11 11 LYS HA H 1 4.054 0.016 . . . . . . A 11 LYS HA . 34864 1 91 . 1 . 1 11 11 LYS HB2 H 1 1.977 0.010 . . . . . . A 11 LYS HB2 . 34864 1 92 . 1 . 1 11 11 LYS HB3 H 1 1.754 0.016 . . . . . . A 11 LYS HB3 . 34864 1 93 . 1 . 1 11 11 LYS HG2 H 1 1.484 0.000 . . . . . . A 11 LYS HG2 . 34864 1 94 . 1 . 1 11 11 LYS HG3 H 1 1.484 0.000 . . . . . . A 11 LYS HG3 . 34864 1 95 . 1 . 1 11 11 LYS HD2 H 1 1.504 0.019 . . . . . . A 11 LYS HD2 . 34864 1 96 . 1 . 1 11 11 LYS HD3 H 1 1.730 0.000 . . . . . . A 11 LYS HD3 . 34864 1 97 . 1 . 1 11 11 LYS CA C 13 57.264 0.042 . . . . . . A 11 LYS CA . 34864 1 98 . 1 . 1 11 11 LYS CB C 13 30.309 0.061 . . . . . . A 11 LYS CB . 34864 1 99 . 1 . 1 11 11 LYS N N 15 120.211 0.055 . . . . . . A 11 LYS N . 34864 1 100 . 1 . 1 12 12 ILE H H 1 8.248 0.003 . . . . . . A 12 ILE H . 34864 1 101 . 1 . 1 12 12 ILE HA H 1 3.606 0.005 . . . . . . A 12 ILE HA . 34864 1 102 . 1 . 1 12 12 ILE HB H 1 1.771 0.010 . . . . . . A 12 ILE HB . 34864 1 103 . 1 . 1 12 12 ILE HG12 H 1 0.975 0.002 . . . . . . A 12 ILE HG12 . 34864 1 104 . 1 . 1 12 12 ILE HG13 H 1 1.488 0.006 . . . . . . A 12 ILE HG13 . 34864 1 105 . 1 . 1 12 12 ILE HG21 H 1 0.837 0.005 . . . . . . A 12 ILE HG21 . 34864 1 106 . 1 . 1 12 12 ILE HG22 H 1 0.837 0.005 . . . . . . A 12 ILE HG22 . 34864 1 107 . 1 . 1 12 12 ILE HG23 H 1 0.837 0.005 . . . . . . A 12 ILE HG23 . 34864 1 108 . 1 . 1 12 12 ILE HD11 H 1 0.671 0.010 . . . . . . A 12 ILE HD11 . 34864 1 109 . 1 . 1 12 12 ILE HD12 H 1 0.671 0.010 . . . . . . A 12 ILE HD12 . 34864 1 110 . 1 . 1 12 12 ILE HD13 H 1 0.671 0.010 . . . . . . A 12 ILE HD13 . 34864 1 111 . 1 . 1 12 12 ILE CA C 13 62.982 0.041 . . . . . . A 12 ILE CA . 34864 1 112 . 1 . 1 12 12 ILE CB C 13 34.629 0.032 . . . . . . A 12 ILE CB . 34864 1 113 . 1 . 1 12 12 ILE CG1 C 13 26.322 0.000 . . . . . . A 12 ILE CG1 . 34864 1 114 . 1 . 1 12 12 ILE CD1 C 13 10.308 0.070 . . . . . . A 12 ILE CD1 . 34864 1 115 . 1 . 1 12 12 ILE N N 15 121.355 0.022 . . . . . . A 12 ILE N . 34864 1 116 . 1 . 1 13 13 LYS H H 1 8.935 0.003 . . . . . . A 13 LYS H . 34864 1 117 . 1 . 1 13 13 LYS HA H 1 3.832 0.005 . . . . . . A 13 LYS HA . 34864 1 118 . 1 . 1 13 13 LYS HB2 H 1 1.968 0.008 . . . . . . A 13 LYS HB2 . 34864 1 119 . 1 . 1 13 13 LYS HB3 H 1 1.763 0.008 . . . . . . A 13 LYS HB3 . 34864 1 120 . 1 . 1 13 13 LYS HG2 H 1 1.363 0.000 . . . . . . A 13 LYS HG2 . 34864 1 121 . 1 . 1 13 13 LYS HG3 H 1 1.472 0.000 . . . . . . A 13 LYS HG3 . 34864 1 122 . 1 . 1 13 13 LYS HD2 H 1 1.654 0.001 . . . . . . A 13 LYS HD2 . 34864 1 123 . 1 . 1 13 13 LYS HD3 H 1 1.759 0.000 . . . . . . A 13 LYS HD3 . 34864 1 124 . 1 . 1 13 13 LYS CA C 13 58.186 0.081 . . . . . . A 13 LYS CA . 34864 1 125 . 1 . 1 13 13 LYS CB C 13 30.220 0.017 . . . . . . A 13 LYS CB . 34864 1 126 . 1 . 1 13 13 LYS N N 15 120.666 0.024 . . . . . . A 13 LYS N . 34864 1 127 . 1 . 1 14 14 ALA H H 1 8.145 0.002 . . . . . . A 14 ALA H . 34864 1 128 . 1 . 1 14 14 ALA HA H 1 3.999 0.015 . . . . . . A 14 ALA HA . 34864 1 129 . 1 . 1 14 14 ALA HB1 H 1 1.475 0.004 . . . . . . A 14 ALA HB1 . 34864 1 130 . 1 . 1 14 14 ALA HB2 H 1 1.475 0.004 . . . . . . A 14 ALA HB2 . 34864 1 131 . 1 . 1 14 14 ALA HB3 H 1 1.475 0.004 . . . . . . A 14 ALA HB3 . 34864 1 132 . 1 . 1 14 14 ALA CA C 13 52.741 0.059 . . . . . . A 14 ALA CA . 34864 1 133 . 1 . 1 14 14 ALA CB C 13 15.239 0.023 . . . . . . A 14 ALA CB . 34864 1 134 . 1 . 1 14 14 ALA N N 15 122.000 0.040 . . . . . . A 14 ALA N . 34864 1 135 . 1 . 1 15 15 ASN H H 1 7.799 0.006 . . . . . . A 15 ASN H . 34864 1 136 . 1 . 1 15 15 ASN HA H 1 4.476 0.003 . . . . . . A 15 ASN HA . 34864 1 137 . 1 . 1 15 15 ASN HB2 H 1 3.026 0.008 . . . . . . A 15 ASN HB2 . 34864 1 138 . 1 . 1 15 15 ASN HB3 H 1 2.644 0.015 . . . . . . A 15 ASN HB3 . 34864 1 139 . 1 . 1 15 15 ASN HD21 H 1 7.703 0.002 . . . . . . A 15 ASN HD21 . 34864 1 140 . 1 . 1 15 15 ASN HD22 H 1 5.975 0.005 . . . . . . A 15 ASN HD22 . 34864 1 141 . 1 . 1 15 15 ASN CA C 13 53.135 0.051 . . . . . . A 15 ASN CA . 34864 1 142 . 1 . 1 15 15 ASN CB C 13 35.338 0.021 . . . . . . A 15 ASN CB . 34864 1 143 . 1 . 1 15 15 ASN N N 15 119.259 0.075 . . . . . . A 15 ASN N . 34864 1 144 . 1 . 1 15 15 ASN ND2 N 15 106.392 0.014 . . . . . . A 15 ASN ND2 . 34864 1 145 . 1 . 1 16 16 ASN H H 1 8.523 0.002 . . . . . . A 16 ASN H . 34864 1 146 . 1 . 1 16 16 ASN HA H 1 4.393 0.008 . . . . . . A 16 ASN HA . 34864 1 147 . 1 . 1 16 16 ASN HB2 H 1 2.984 0.010 . . . . . . A 16 ASN HB2 . 34864 1 148 . 1 . 1 16 16 ASN HB3 H 1 2.692 0.005 . . . . . . A 16 ASN HB3 . 34864 1 149 . 1 . 1 16 16 ASN HD21 H 1 7.156 0.003 . . . . . . A 16 ASN HD21 . 34864 1 150 . 1 . 1 16 16 ASN HD22 H 1 5.684 0.006 . . . . . . A 16 ASN HD22 . 34864 1 151 . 1 . 1 16 16 ASN CA C 13 52.943 0.032 . . . . . . A 16 ASN CA . 34864 1 152 . 1 . 1 16 16 ASN CB C 13 34.653 0.054 . . . . . . A 16 ASN CB . 34864 1 153 . 1 . 1 16 16 ASN N N 15 120.556 0.023 . . . . . . A 16 ASN N . 34864 1 154 . 1 . 1 16 16 ASN ND2 N 15 107.478 0.022 . . . . . . A 16 ASN ND2 . 34864 1 155 . 1 . 1 17 17 ARG H H 1 8.183 0.004 . . . . . . A 17 ARG H . 34864 1 156 . 1 . 1 17 17 ARG HA H 1 4.070 0.006 . . . . . . A 17 ARG HA . 34864 1 157 . 1 . 1 17 17 ARG HB2 H 1 1.958 0.016 . . . . . . A 17 ARG HB2 . 34864 1 158 . 1 . 1 17 17 ARG HB3 H 1 1.891 0.012 . . . . . . A 17 ARG HB3 . 34864 1 159 . 1 . 1 17 17 ARG HG2 H 1 1.535 0.000 . . . . . . A 17 ARG HG2 . 34864 1 160 . 1 . 1 17 17 ARG HD2 H 1 2.991 0.007 . . . . . . A 17 ARG HD2 . 34864 1 161 . 1 . 1 17 17 ARG HD3 H 1 2.637 0.002 . . . . . . A 17 ARG HD3 . 34864 1 162 . 1 . 1 17 17 ARG HE H 1 7.150 0.000 . . . . . . A 17 ARG HE . 34864 1 163 . 1 . 1 17 17 ARG CA C 13 57.317 0.011 . . . . . . A 17 ARG CA . 34864 1 164 . 1 . 1 17 17 ARG CB C 13 27.363 0.014 . . . . . . A 17 ARG CB . 34864 1 165 . 1 . 1 17 17 ARG CD C 13 41.304 0.018 . . . . . . A 17 ARG CD . 34864 1 166 . 1 . 1 17 17 ARG N N 15 120.967 0.020 . . . . . . A 17 ARG N . 34864 1 167 . 1 . 1 18 18 LEU H H 1 7.667 0.002 . . . . . . A 18 LEU H . 34864 1 168 . 1 . 1 18 18 LEU HA H 1 4.132 0.002 . . . . . . A 18 LEU HA . 34864 1 169 . 1 . 1 18 18 LEU HB2 H 1 1.993 0.005 . . . . . . A 18 LEU HB2 . 34864 1 170 . 1 . 1 18 18 LEU HB3 H 1 1.493 0.005 . . . . . . A 18 LEU HB3 . 34864 1 171 . 1 . 1 18 18 LEU HG H 1 1.311 0.000 . . . . . . A 18 LEU HG . 34864 1 172 . 1 . 1 18 18 LEU HD11 H 1 0.854 0.013 . . . . . . A 18 LEU HD11 . 34864 1 173 . 1 . 1 18 18 LEU HD12 H 1 0.854 0.013 . . . . . . A 18 LEU HD12 . 34864 1 174 . 1 . 1 18 18 LEU HD13 H 1 0.854 0.013 . . . . . . A 18 LEU HD13 . 34864 1 175 . 1 . 1 18 18 LEU HD21 H 1 1.045 0.007 . . . . . . A 18 LEU HD21 . 34864 1 176 . 1 . 1 18 18 LEU HD22 H 1 1.045 0.007 . . . . . . A 18 LEU HD22 . 34864 1 177 . 1 . 1 18 18 LEU HD23 H 1 1.045 0.007 . . . . . . A 18 LEU HD23 . 34864 1 178 . 1 . 1 18 18 LEU CA C 13 55.362 0.060 . . . . . . A 18 LEU CA . 34864 1 179 . 1 . 1 18 18 LEU CB C 13 38.960 0.018 . . . . . . A 18 LEU CB . 34864 1 180 . 1 . 1 18 18 LEU N N 15 121.594 0.010 . . . . . . A 18 LEU N . 34864 1 181 . 1 . 1 19 19 LEU H H 1 8.143 0.002 . . . . . . A 19 LEU H . 34864 1 182 . 1 . 1 19 19 LEU HA H 1 3.947 0.006 . . . . . . A 19 LEU HA . 34864 1 183 . 1 . 1 19 19 LEU HB2 H 1 1.924 0.014 . . . . . . A 19 LEU HB2 . 34864 1 184 . 1 . 1 19 19 LEU HB3 H 1 1.295 0.004 . . . . . . A 19 LEU HB3 . 34864 1 185 . 1 . 1 19 19 LEU HD11 H 1 0.816 0.005 . . . . . . A 19 LEU HD11 . 34864 1 186 . 1 . 1 19 19 LEU HD12 H 1 0.816 0.005 . . . . . . A 19 LEU HD12 . 34864 1 187 . 1 . 1 19 19 LEU HD13 H 1 0.816 0.005 . . . . . . A 19 LEU HD13 . 34864 1 188 . 1 . 1 19 19 LEU HD21 H 1 1.049 0.000 . . . . . . A 19 LEU HD21 . 34864 1 189 . 1 . 1 19 19 LEU HD22 H 1 1.049 0.000 . . . . . . A 19 LEU HD22 . 34864 1 190 . 1 . 1 19 19 LEU HD23 H 1 1.049 0.000 . . . . . . A 19 LEU HD23 . 34864 1 191 . 1 . 1 19 19 LEU CA C 13 55.249 0.029 . . . . . . A 19 LEU CA . 34864 1 192 . 1 . 1 19 19 LEU CB C 13 38.283 0.052 . . . . . . A 19 LEU CB . 34864 1 193 . 1 . 1 19 19 LEU N N 15 118.574 0.060 . . . . . . A 19 LEU N . 34864 1 194 . 1 . 1 20 20 ASN H H 1 8.375 0.002 . . . . . . A 20 ASN H . 34864 1 195 . 1 . 1 20 20 ASN HA H 1 4.370 0.006 . . . . . . A 20 ASN HA . 34864 1 196 . 1 . 1 20 20 ASN HB2 H 1 2.779 0.004 . . . . . . A 20 ASN HB2 . 34864 1 197 . 1 . 1 20 20 ASN HB3 H 1 3.093 0.008 . . . . . . A 20 ASN HB3 . 34864 1 198 . 1 . 1 20 20 ASN HD21 H 1 7.611 0.002 . . . . . . A 20 ASN HD21 . 34864 1 199 . 1 . 1 20 20 ASN HD22 H 1 6.745 0.003 . . . . . . A 20 ASN HD22 . 34864 1 200 . 1 . 1 20 20 ASN CA C 13 53.358 0.011 . . . . . . A 20 ASN CA . 34864 1 201 . 1 . 1 20 20 ASN CB C 13 35.556 0.000 . . . . . . A 20 ASN CB . 34864 1 202 . 1 . 1 20 20 ASN N N 15 116.940 0.011 . . . . . . A 20 ASN N . 34864 1 203 . 1 . 1 20 20 ASN ND2 N 15 112.082 0.032 . . . . . . A 20 ASN ND2 . 34864 1 204 . 1 . 1 21 21 ALA H H 1 7.901 0.006 . . . . . . A 21 ALA H . 34864 1 205 . 1 . 1 21 21 ALA HA H 1 4.157 0.008 . . . . . . A 21 ALA HA . 34864 1 206 . 1 . 1 21 21 ALA HB1 H 1 1.550 0.004 . . . . . . A 21 ALA HB1 . 34864 1 207 . 1 . 1 21 21 ALA HB2 H 1 1.550 0.004 . . . . . . A 21 ALA HB2 . 34864 1 208 . 1 . 1 21 21 ALA HB3 H 1 1.550 0.004 . . . . . . A 21 ALA HB3 . 34864 1 209 . 1 . 1 21 21 ALA CA C 13 52.653 0.069 . . . . . . A 21 ALA CA . 34864 1 210 . 1 . 1 21 21 ALA CB C 13 15.140 0.029 . . . . . . A 21 ALA CB . 34864 1 211 . 1 . 1 21 21 ALA N N 15 122.156 0.014 . . . . . . A 21 ALA N . 34864 1 212 . 1 . 1 22 22 VAL H H 1 7.739 0.006 . . . . . . A 22 VAL H . 34864 1 213 . 1 . 1 22 22 VAL HA H 1 3.944 0.003 . . . . . . A 22 VAL HA . 34864 1 214 . 1 . 1 22 22 VAL HB H 1 2.344 0.010 . . . . . . A 22 VAL HB . 34864 1 215 . 1 . 1 22 22 VAL HG11 H 1 0.946 0.014 . . . . . . A 22 VAL HG11 . 34864 1 216 . 1 . 1 22 22 VAL HG12 H 1 0.946 0.014 . . . . . . A 22 VAL HG12 . 34864 1 217 . 1 . 1 22 22 VAL HG13 H 1 0.946 0.014 . . . . . . A 22 VAL HG13 . 34864 1 218 . 1 . 1 22 22 VAL HG21 H 1 1.069 0.004 . . . . . . A 22 VAL HG21 . 34864 1 219 . 1 . 1 22 22 VAL HG22 H 1 1.069 0.004 . . . . . . A 22 VAL HG22 . 34864 1 220 . 1 . 1 22 22 VAL HG23 H 1 1.069 0.004 . . . . . . A 22 VAL HG23 . 34864 1 221 . 1 . 1 22 22 VAL CA C 13 63.733 0.069 . . . . . . A 22 VAL CA . 34864 1 222 . 1 . 1 22 22 VAL CB C 13 28.973 0.028 . . . . . . A 22 VAL CB . 34864 1 223 . 1 . 1 22 22 VAL CG1 C 13 18.875 0.011 . . . . . . A 22 VAL CG1 . 34864 1 224 . 1 . 1 22 22 VAL CG2 C 13 20.225 0.011 . . . . . . A 22 VAL CG2 . 34864 1 225 . 1 . 1 22 22 VAL N N 15 118.939 0.052 . . . . . . A 22 VAL N . 34864 1 226 . 1 . 1 23 23 VAL H H 1 7.643 0.007 . . . . . . A 23 VAL H . 34864 1 227 . 1 . 1 23 23 VAL HA H 1 3.368 0.004 . . . . . . A 23 VAL HA . 34864 1 228 . 1 . 1 23 23 VAL HB H 1 2.135 0.007 . . . . . . A 23 VAL HB . 34864 1 229 . 1 . 1 23 23 VAL HG11 H 1 0.905 0.008 . . . . . . A 23 VAL HG11 . 34864 1 230 . 1 . 1 23 23 VAL HG12 H 1 0.905 0.008 . . . . . . A 23 VAL HG12 . 34864 1 231 . 1 . 1 23 23 VAL HG13 H 1 0.905 0.008 . . . . . . A 23 VAL HG13 . 34864 1 232 . 1 . 1 23 23 VAL HG21 H 1 1.039 0.004 . . . . . . A 23 VAL HG21 . 34864 1 233 . 1 . 1 23 23 VAL HG22 H 1 1.039 0.004 . . . . . . A 23 VAL HG22 . 34864 1 234 . 1 . 1 23 23 VAL HG23 H 1 1.039 0.004 . . . . . . A 23 VAL HG23 . 34864 1 235 . 1 . 1 23 23 VAL CA C 13 64.677 0.078 . . . . . . A 23 VAL CA . 34864 1 236 . 1 . 1 23 23 VAL CB C 13 28.950 0.037 . . . . . . A 23 VAL CB . 34864 1 237 . 1 . 1 23 23 VAL CG1 C 13 19.436 0.022 . . . . . . A 23 VAL CG1 . 34864 1 238 . 1 . 1 23 23 VAL CG2 C 13 21.242 0.076 . . . . . . A 23 VAL CG2 . 34864 1 239 . 1 . 1 23 23 VAL N N 15 119.035 0.024 . . . . . . A 23 VAL N . 34864 1 240 . 1 . 1 24 24 GLN H H 1 8.230 0.004 . . . . . . A 24 GLN H . 34864 1 241 . 1 . 1 24 24 GLN HA H 1 4.036 0.011 . . . . . . A 24 GLN HA . 34864 1 242 . 1 . 1 24 24 GLN HB2 H 1 2.119 0.004 . . . . . . A 24 GLN HB2 . 34864 1 243 . 1 . 1 24 24 GLN HB3 H 1 2.397 0.011 . . . . . . A 24 GLN HB3 . 34864 1 244 . 1 . 1 24 24 GLN HE21 H 1 6.824 0.006 . . . . . . A 24 GLN HE21 . 34864 1 245 . 1 . 1 24 24 GLN HE22 H 1 7.311 0.002 . . . . . . A 24 GLN HE22 . 34864 1 246 . 1 . 1 24 24 GLN CA C 13 56.313 0.000 . . . . . . A 24 GLN CA . 34864 1 247 . 1 . 1 24 24 GLN CB C 13 25.620 0.031 . . . . . . A 24 GLN CB . 34864 1 248 . 1 . 1 24 24 GLN N N 15 116.862 0.025 . . . . . . A 24 GLN N . 34864 1 249 . 1 . 1 24 24 GLN NE2 N 15 111.872 0.005 . . . . . . A 24 GLN NE2 . 34864 1 250 . 1 . 1 25 25 GLU H H 1 8.005 0.003 . . . . . . A 25 GLU H . 34864 1 251 . 1 . 1 25 25 GLU HA H 1 4.018 0.011 . . . . . . A 25 GLU HA . 34864 1 252 . 1 . 1 25 25 GLU HB2 H 1 2.399 0.010 . . . . . . A 25 GLU HB2 . 34864 1 253 . 1 . 1 25 25 GLU HG2 H 1 2.585 0.000 . . . . . . A 25 GLU HG2 . 34864 1 254 . 1 . 1 25 25 GLU HG3 H 1 2.445 0.000 . . . . . . A 25 GLU HG3 . 34864 1 255 . 1 . 1 25 25 GLU CA C 13 57.395 0.000 . . . . . . A 25 GLU CA . 34864 1 256 . 1 . 1 25 25 GLU CB C 13 26.839 0.031 . . . . . . A 25 GLU CB . 34864 1 257 . 1 . 1 25 25 GLU N N 15 118.323 0.050 . . . . . . A 25 GLU N . 34864 1 258 . 1 . 1 26 26 MET H H 1 8.469 0.003 . . . . . . A 26 MET H . 34864 1 259 . 1 . 1 26 26 MET HA H 1 4.117 0.007 . . . . . . A 26 MET HA . 34864 1 260 . 1 . 1 26 26 MET HB2 H 1 2.032 0.007 . . . . . . A 26 MET HB2 . 34864 1 261 . 1 . 1 26 26 MET HB3 H 1 1.507 0.009 . . . . . . A 26 MET HB3 . 34864 1 262 . 1 . 1 26 26 MET HG2 H 1 2.410 0.005 . . . . . . A 26 MET HG2 . 34864 1 263 . 1 . 1 26 26 MET HG3 H 1 2.594 0.000 . . . . . . A 26 MET HG3 . 34864 1 264 . 1 . 1 26 26 MET CA C 13 57.523 0.023 . . . . . . A 26 MET CA . 34864 1 265 . 1 . 1 26 26 MET CB C 13 29.936 0.034 . . . . . . A 26 MET CB . 34864 1 266 . 1 . 1 26 26 MET N N 15 120.188 0.041 . . . . . . A 26 MET N . 34864 1 267 . 1 . 1 27 27 TYR H H 1 7.969 0.002 . . . . . . A 27 TYR H . 34864 1 268 . 1 . 1 27 27 TYR HA H 1 4.036 0.004 . . . . . . A 27 TYR HA . 34864 1 269 . 1 . 1 27 27 TYR HB2 H 1 3.031 0.014 . . . . . . A 27 TYR HB2 . 34864 1 270 . 1 . 1 27 27 TYR HB3 H 1 2.907 0.004 . . . . . . A 27 TYR HB3 . 34864 1 271 . 1 . 1 27 27 TYR HD1 H 1 7.093 0.003 . . . . . . A 27 TYR HD1 . 34864 1 272 . 1 . 1 27 27 TYR HD2 H 1 7.093 0.003 . . . . . . A 27 TYR HD2 . 34864 1 273 . 1 . 1 27 27 TYR HE1 H 1 6.639 0.007 . . . . . . A 27 TYR HE1 . 34864 1 274 . 1 . 1 27 27 TYR HE2 H 1 6.639 0.007 . . . . . . A 27 TYR HE2 . 34864 1 275 . 1 . 1 27 27 TYR CA C 13 59.002 0.082 . . . . . . A 27 TYR CA . 34864 1 276 . 1 . 1 27 27 TYR CB C 13 35.293 0.022 . . . . . . A 27 TYR CB . 34864 1 277 . 1 . 1 27 27 TYR N N 15 115.357 0.024 . . . . . . A 27 TYR N . 34864 1 278 . 1 . 1 28 28 LEU H H 1 7.318 0.004 . . . . . . A 28 LEU H . 34864 1 279 . 1 . 1 28 28 LEU HA H 1 4.379 0.011 . . . . . . A 28 LEU HA . 34864 1 280 . 1 . 1 28 28 LEU HB2 H 1 1.727 0.022 . . . . . . A 28 LEU HB2 . 34864 1 281 . 1 . 1 28 28 LEU HB3 H 1 1.669 0.000 . . . . . . A 28 LEU HB3 . 34864 1 282 . 1 . 1 28 28 LEU HG H 1 1.511 0.002 . . . . . . A 28 LEU HG . 34864 1 283 . 1 . 1 28 28 LEU HD11 H 1 0.863 0.004 . . . . . . A 28 LEU HD11 . 34864 1 284 . 1 . 1 28 28 LEU HD12 H 1 0.863 0.004 . . . . . . A 28 LEU HD12 . 34864 1 285 . 1 . 1 28 28 LEU HD13 H 1 0.863 0.004 . . . . . . A 28 LEU HD13 . 34864 1 286 . 1 . 1 28 28 LEU CA C 13 52.034 0.096 . . . . . . A 28 LEU CA . 34864 1 287 . 1 . 1 28 28 LEU CB C 13 40.120 0.060 . . . . . . A 28 LEU CB . 34864 1 288 . 1 . 1 28 28 LEU N N 15 118.553 0.012 . . . . . . A 28 LEU N . 34864 1 289 . 1 . 1 29 29 ASP H H 1 7.287 0.002 . . . . . . A 29 ASP H . 34864 1 290 . 1 . 1 29 29 ASP HA H 1 4.502 0.002 . . . . . . A 29 ASP HA . 34864 1 291 . 1 . 1 29 29 ASP HB2 H 1 3.318 0.002 . . . . . . A 29 ASP HB2 . 34864 1 292 . 1 . 1 29 29 ASP HB3 H 1 2.800 0.015 . . . . . . A 29 ASP HB3 . 34864 1 293 . 1 . 1 29 29 ASP CA C 13 51.113 0.065 . . . . . . A 29 ASP CA . 34864 1 294 . 1 . 1 29 29 ASP CB C 13 37.918 0.037 . . . . . . A 29 ASP CB . 34864 1 295 . 1 . 1 29 29 ASP N N 15 120.731 0.036 . . . . . . A 29 ASP N . 34864 1 296 . 1 . 1 30 30 ASN H H 1 8.591 0.002 . . . . . . A 30 ASN H . 34864 1 297 . 1 . 1 30 30 ASN HA H 1 4.619 0.008 . . . . . . A 30 ASN HA . 34864 1 298 . 1 . 1 30 30 ASN HB2 H 1 2.842 0.006 . . . . . . A 30 ASN HB2 . 34864 1 299 . 1 . 1 30 30 ASN HD21 H 1 7.560 0.002 . . . . . . A 30 ASN HD21 . 34864 1 300 . 1 . 1 30 30 ASN HD22 H 1 6.883 0.002 . . . . . . A 30 ASN HD22 . 34864 1 301 . 1 . 1 30 30 ASN CA C 13 51.713 0.091 . . . . . . A 30 ASN CA . 34864 1 302 . 1 . 1 30 30 ASN CB C 13 35.668 0.004 . . . . . . A 30 ASN CB . 34864 1 303 . 1 . 1 30 30 ASN N N 15 124.083 0.030 . . . . . . A 30 ASN N . 34864 1 304 . 1 . 1 30 30 ASN ND2 N 15 112.973 0.023 . . . . . . A 30 ASN ND2 . 34864 1 305 . 1 . 1 31 31 SER H H 1 8.936 0.004 . . . . . . A 31 SER H . 34864 1 306 . 1 . 1 31 31 SER HA H 1 4.390 0.002 . . . . . . A 31 SER HA . 34864 1 307 . 1 . 1 31 31 SER HB2 H 1 4.027 0.002 . . . . . . A 31 SER HB2 . 34864 1 308 . 1 . 1 31 31 SER HB3 H 1 3.867 0.004 . . . . . . A 31 SER HB3 . 34864 1 309 . 1 . 1 31 31 SER CA C 13 57.286 0.042 . . . . . . A 31 SER CA . 34864 1 310 . 1 . 1 31 31 SER CB C 13 61.043 0.046 . . . . . . A 31 SER CB . 34864 1 311 . 1 . 1 31 31 SER N N 15 116.457 0.004 . . . . . . A 31 SER N . 34864 1 312 . 1 . 1 32 32 LEU H H 1 7.083 0.002 . . . . . . A 32 LEU H . 34864 1 313 . 1 . 1 32 32 LEU HA H 1 4.496 0.005 . . . . . . A 32 LEU HA . 34864 1 314 . 1 . 1 32 32 LEU HB2 H 1 1.728 0.008 . . . . . . A 32 LEU HB2 . 34864 1 315 . 1 . 1 32 32 LEU HB3 H 1 1.310 0.002 . . . . . . A 32 LEU HB3 . 34864 1 316 . 1 . 1 32 32 LEU HG H 1 1.637 0.011 . . . . . . A 32 LEU HG . 34864 1 317 . 1 . 1 32 32 LEU HD11 H 1 0.835 0.015 . . . . . . A 32 LEU HD11 . 34864 1 318 . 1 . 1 32 32 LEU HD12 H 1 0.835 0.015 . . . . . . A 32 LEU HD12 . 34864 1 319 . 1 . 1 32 32 LEU HD13 H 1 0.835 0.015 . . . . . . A 32 LEU HD13 . 34864 1 320 . 1 . 1 32 32 LEU CA C 13 51.069 0.057 . . . . . . A 32 LEU CA . 34864 1 321 . 1 . 1 32 32 LEU CB C 13 41.486 0.030 . . . . . . A 32 LEU CB . 34864 1 322 . 1 . 1 32 32 LEU N N 15 121.938 0.009 . . . . . . A 32 LEU N . 34864 1 323 . 1 . 1 33 33 ASP H H 1 8.595 0.001 . . . . . . A 33 ASP H . 34864 1 324 . 1 . 1 33 33 ASP HA H 1 4.494 0.004 . . . . . . A 33 ASP HA . 34864 1 325 . 1 . 1 33 33 ASP HB2 H 1 2.818 0.008 . . . . . . A 33 ASP HB2 . 34864 1 326 . 1 . 1 33 33 ASP HB3 H 1 2.700 0.005 . . . . . . A 33 ASP HB3 . 34864 1 327 . 1 . 1 33 33 ASP CA C 13 51.505 0.004 . . . . . . A 33 ASP CA . 34864 1 328 . 1 . 1 33 33 ASP CB C 13 39.531 0.026 . . . . . . A 33 ASP CB . 34864 1 329 . 1 . 1 33 33 ASP N N 15 123.584 0.052 . . . . . . A 33 ASP N . 34864 1 330 . 1 . 1 34 34 ILE H H 1 8.364 0.003 . . . . . . A 34 ILE H . 34864 1 331 . 1 . 1 34 34 ILE HA H 1 3.638 0.011 . . . . . . A 34 ILE HA . 34864 1 332 . 1 . 1 34 34 ILE HB H 1 1.789 0.008 . . . . . . A 34 ILE HB . 34864 1 333 . 1 . 1 34 34 ILE HG12 H 1 1.528 0.013 . . . . . . A 34 ILE HG12 . 34864 1 334 . 1 . 1 34 34 ILE HG13 H 1 1.368 0.000 . . . . . . A 34 ILE HG13 . 34864 1 335 . 1 . 1 34 34 ILE HG21 H 1 1.216 0.021 . . . . . . A 34 ILE HG21 . 34864 1 336 . 1 . 1 34 34 ILE HG22 H 1 1.216 0.021 . . . . . . A 34 ILE HG22 . 34864 1 337 . 1 . 1 34 34 ILE HG23 H 1 1.216 0.021 . . . . . . A 34 ILE HG23 . 34864 1 338 . 1 . 1 34 34 ILE HD11 H 1 0.888 0.014 . . . . . . A 34 ILE HD11 . 34864 1 339 . 1 . 1 34 34 ILE HD12 H 1 0.888 0.014 . . . . . . A 34 ILE HD12 . 34864 1 340 . 1 . 1 34 34 ILE HD13 H 1 0.888 0.014 . . . . . . A 34 ILE HD13 . 34864 1 341 . 1 . 1 34 34 ILE CA C 13 62.220 0.068 . . . . . . A 34 ILE CA . 34864 1 342 . 1 . 1 34 34 ILE CB C 13 35.315 0.054 . . . . . . A 34 ILE CB . 34864 1 343 . 1 . 1 34 34 ILE N N 15 123.865 0.022 . . . . . . A 34 ILE N . 34864 1 344 . 1 . 1 35 35 LYS H H 1 8.159 0.006 . . . . . . A 35 LYS H . 34864 1 345 . 1 . 1 35 35 LYS HA H 1 4.089 0.015 . . . . . . A 35 LYS HA . 34864 1 346 . 1 . 1 35 35 LYS HB2 H 1 1.765 0.008 . . . . . . A 35 LYS HB2 . 34864 1 347 . 1 . 1 35 35 LYS HB3 H 1 1.835 0.008 . . . . . . A 35 LYS HB3 . 34864 1 348 . 1 . 1 35 35 LYS HG2 H 1 1.341 0.000 . . . . . . A 35 LYS HG2 . 34864 1 349 . 1 . 1 35 35 LYS HG3 H 1 1.475 0.004 . . . . . . A 35 LYS HG3 . 34864 1 350 . 1 . 1 35 35 LYS HD2 H 1 1.613 0.000 . . . . . . A 35 LYS HD2 . 34864 1 351 . 1 . 1 35 35 LYS CA C 13 56.824 0.000 . . . . . . A 35 LYS CA . 34864 1 352 . 1 . 1 35 35 LYS CB C 13 29.136 0.017 . . . . . . A 35 LYS CB . 34864 1 353 . 1 . 1 35 35 LYS N N 15 119.630 0.054 . . . . . . A 35 LYS N . 34864 1 354 . 1 . 1 36 36 THR H H 1 7.727 0.003 . . . . . . A 36 THR H . 34864 1 355 . 1 . 1 36 36 THR HA H 1 3.844 0.010 . . . . . . A 36 THR HA . 34864 1 356 . 1 . 1 36 36 THR HB H 1 4.119 0.004 . . . . . . A 36 THR HB . 34864 1 357 . 1 . 1 36 36 THR HG21 H 1 1.317 0.005 . . . . . . A 36 THR HG21 . 34864 1 358 . 1 . 1 36 36 THR HG22 H 1 1.317 0.005 . . . . . . A 36 THR HG22 . 34864 1 359 . 1 . 1 36 36 THR HG23 H 1 1.317 0.005 . . . . . . A 36 THR HG23 . 34864 1 360 . 1 . 1 36 36 THR CA C 13 63.639 0.029 . . . . . . A 36 THR CA . 34864 1 361 . 1 . 1 36 36 THR CB C 13 65.645 0.010 . . . . . . A 36 THR CB . 34864 1 362 . 1 . 1 36 36 THR CG2 C 13 20.177 0.009 . . . . . . A 36 THR CG2 . 34864 1 363 . 1 . 1 36 36 THR N N 15 118.123 0.051 . . . . . . A 36 THR N . 34864 1 364 . 1 . 1 37 37 ARG H H 1 8.444 0.011 . . . . . . A 37 ARG H . 34864 1 365 . 1 . 1 37 37 ARG HA H 1 3.706 0.009 . . . . . . A 37 ARG HA . 34864 1 366 . 1 . 1 37 37 ARG HB2 H 1 1.766 0.009 . . . . . . A 37 ARG HB2 . 34864 1 367 . 1 . 1 37 37 ARG HB3 H 1 1.346 0.000 . . . . . . A 37 ARG HB3 . 34864 1 368 . 1 . 1 37 37 ARG HG2 H 1 1.299 0.017 . . . . . . A 37 ARG HG2 . 34864 1 369 . 1 . 1 37 37 ARG HG3 H 1 1.422 0.006 . . . . . . A 37 ARG HG3 . 34864 1 370 . 1 . 1 37 37 ARG HD2 H 1 2.994 0.009 . . . . . . A 37 ARG HD2 . 34864 1 371 . 1 . 1 37 37 ARG HD3 H 1 2.794 0.017 . . . . . . A 37 ARG HD3 . 34864 1 372 . 1 . 1 37 37 ARG HE H 1 6.649 0.002 . . . . . . A 37 ARG HE . 34864 1 373 . 1 . 1 37 37 ARG CA C 13 57.454 0.043 . . . . . . A 37 ARG CA . 34864 1 374 . 1 . 1 37 37 ARG CB C 13 27.873 0.036 . . . . . . A 37 ARG CB . 34864 1 375 . 1 . 1 37 37 ARG CG C 13 23.713 0.022 . . . . . . A 37 ARG CG . 34864 1 376 . 1 . 1 37 37 ARG N N 15 120.726 0.132 . . . . . . A 37 ARG N . 34864 1 377 . 1 . 1 37 37 ARG NE N 15 118.803 0.015 . . . . . . A 37 ARG NE . 34864 1 378 . 1 . 1 38 38 ASP H H 1 8.204 0.004 . . . . . . A 38 ASP H . 34864 1 379 . 1 . 1 38 38 ASP HA H 1 4.353 0.003 . . . . . . A 38 ASP HA . 34864 1 380 . 1 . 1 38 38 ASP HB2 H 1 2.723 0.014 . . . . . . A 38 ASP HB2 . 34864 1 381 . 1 . 1 38 38 ASP HB3 H 1 2.633 0.005 . . . . . . A 38 ASP HB3 . 34864 1 382 . 1 . 1 38 38 ASP CA C 13 54.717 0.009 . . . . . . A 38 ASP CA . 34864 1 383 . 1 . 1 38 38 ASP CB C 13 37.733 0.023 . . . . . . A 38 ASP CB . 34864 1 384 . 1 . 1 38 38 ASP N N 15 116.740 0.052 . . . . . . A 38 ASP N . 34864 1 385 . 1 . 1 39 39 TYR H H 1 7.737 0.004 . . . . . . A 39 TYR H . 34864 1 386 . 1 . 1 39 39 TYR HA H 1 4.109 0.004 . . . . . . A 39 TYR HA . 34864 1 387 . 1 . 1 39 39 TYR HB2 H 1 2.809 0.017 . . . . . . A 39 TYR HB2 . 34864 1 388 . 1 . 1 39 39 TYR HB3 H 1 3.026 0.008 . . . . . . A 39 TYR HB3 . 34864 1 389 . 1 . 1 39 39 TYR HD1 H 1 6.996 0.002 . . . . . . A 39 TYR HD1 . 34864 1 390 . 1 . 1 39 39 TYR HD2 H 1 6.996 0.002 . . . . . . A 39 TYR HD2 . 34864 1 391 . 1 . 1 39 39 TYR HE1 H 1 6.824 0.000 . . . . . . A 39 TYR HE1 . 34864 1 392 . 1 . 1 39 39 TYR HE2 H 1 6.824 0.000 . . . . . . A 39 TYR HE2 . 34864 1 393 . 1 . 1 39 39 TYR CA C 13 58.927 0.039 . . . . . . A 39 TYR CA . 34864 1 394 . 1 . 1 39 39 TYR CB C 13 35.308 0.030 . . . . . . A 39 TYR CB . 34864 1 395 . 1 . 1 39 39 TYR N N 15 121.601 0.022 . . . . . . A 39 TYR N . 34864 1 396 . 1 . 1 40 40 TYR H H 1 8.110 0.005 . . . . . . A 40 TYR H . 34864 1 397 . 1 . 1 40 40 TYR HA H 1 3.963 0.018 . . . . . . A 40 TYR HA . 34864 1 398 . 1 . 1 40 40 TYR HB2 H 1 2.760 0.018 . . . . . . A 40 TYR HB2 . 34864 1 399 . 1 . 1 40 40 TYR HB3 H 1 2.626 0.011 . . . . . . A 40 TYR HB3 . 34864 1 400 . 1 . 1 40 40 TYR HD1 H 1 6.563 0.005 . . . . . . A 40 TYR HD1 . 34864 1 401 . 1 . 1 40 40 TYR HD2 H 1 6.563 0.005 . . . . . . A 40 TYR HD2 . 34864 1 402 . 1 . 1 40 40 TYR HE1 H 1 6.344 0.002 . . . . . . A 40 TYR HE1 . 34864 1 403 . 1 . 1 40 40 TYR HE2 H 1 6.344 0.002 . . . . . . A 40 TYR HE2 . 34864 1 404 . 1 . 1 40 40 TYR CA C 13 59.720 0.077 . . . . . . A 40 TYR CA . 34864 1 405 . 1 . 1 40 40 TYR CB C 13 35.369 0.033 . . . . . . A 40 TYR CB . 34864 1 406 . 1 . 1 40 40 TYR N N 15 118.067 0.112 . . . . . . A 40 TYR N . 34864 1 407 . 1 . 1 41 41 ALA H H 1 9.018 0.002 . . . . . . A 41 ALA H . 34864 1 408 . 1 . 1 41 41 ALA HA H 1 3.879 0.001 . . . . . . A 41 ALA HA . 34864 1 409 . 1 . 1 41 41 ALA HB1 H 1 1.338 0.007 . . . . . . A 41 ALA HB1 . 34864 1 410 . 1 . 1 41 41 ALA HB2 H 1 1.338 0.007 . . . . . . A 41 ALA HB2 . 34864 1 411 . 1 . 1 41 41 ALA HB3 H 1 1.338 0.007 . . . . . . A 41 ALA HB3 . 34864 1 412 . 1 . 1 41 41 ALA CA C 13 53.232 0.051 . . . . . . A 41 ALA CA . 34864 1 413 . 1 . 1 41 41 ALA CB C 13 16.009 0.016 . . . . . . A 41 ALA CB . 34864 1 414 . 1 . 1 41 41 ALA N N 15 120.292 0.024 . . . . . . A 41 ALA N . 34864 1 415 . 1 . 1 42 42 SER H H 1 8.174 0.002 . . . . . . A 42 SER H . 34864 1 416 . 1 . 1 42 42 SER HA H 1 4.114 0.004 . . . . . . A 42 SER HA . 34864 1 417 . 1 . 1 42 42 SER HB2 H 1 3.930 0.007 . . . . . . A 42 SER HB2 . 34864 1 418 . 1 . 1 42 42 SER CA C 13 59.578 0.056 . . . . . . A 42 SER CA . 34864 1 419 . 1 . 1 42 42 SER N N 15 114.823 0.054 . . . . . . A 42 SER N . 34864 1 420 . 1 . 1 43 43 ASN H H 1 7.259 0.004 . . . . . . A 43 ASN H . 34864 1 421 . 1 . 1 43 43 ASN HA H 1 4.417 0.003 . . . . . . A 43 ASN HA . 34864 1 422 . 1 . 1 43 43 ASN HB2 H 1 2.365 0.007 . . . . . . A 43 ASN HB2 . 34864 1 423 . 1 . 1 43 43 ASN HB3 H 1 2.545 0.005 . . . . . . A 43 ASN HB3 . 34864 1 424 . 1 . 1 43 43 ASN HD21 H 1 6.771 0.012 . . . . . . A 43 ASN HD21 . 34864 1 425 . 1 . 1 43 43 ASN HD22 H 1 7.357 0.000 . . . . . . A 43 ASN HD22 . 34864 1 426 . 1 . 1 43 43 ASN CA C 13 53.843 0.032 . . . . . . A 43 ASN CA . 34864 1 427 . 1 . 1 43 43 ASN CB C 13 35.875 0.040 . . . . . . A 43 ASN CB . 34864 1 428 . 1 . 1 43 43 ASN N N 15 121.458 0.031 . . . . . . A 43 ASN N . 34864 1 429 . 1 . 1 43 43 ASN ND2 N 15 111.534 0.046 . . . . . . A 43 ASN ND2 . 34864 1 430 . 1 . 1 44 44 ILE H H 1 8.291 0.002 . . . . . . A 44 ILE H . 34864 1 431 . 1 . 1 44 44 ILE HA H 1 3.493 0.005 . . . . . . A 44 ILE HA . 34864 1 432 . 1 . 1 44 44 ILE HB H 1 1.727 0.012 . . . . . . A 44 ILE HB . 34864 1 433 . 1 . 1 44 44 ILE HG12 H 1 1.039 0.009 . . . . . . A 44 ILE HG12 . 34864 1 434 . 1 . 1 44 44 ILE HG13 H 1 1.328 0.002 . . . . . . A 44 ILE HG13 . 34864 1 435 . 1 . 1 44 44 ILE HG21 H 1 0.811 0.003 . . . . . . A 44 ILE HG21 . 34864 1 436 . 1 . 1 44 44 ILE HG22 H 1 0.811 0.003 . . . . . . A 44 ILE HG22 . 34864 1 437 . 1 . 1 44 44 ILE HG23 H 1 0.811 0.003 . . . . . . A 44 ILE HG23 . 34864 1 438 . 1 . 1 44 44 ILE HD11 H 1 0.652 0.008 . . . . . . A 44 ILE HD11 . 34864 1 439 . 1 . 1 44 44 ILE HD12 H 1 0.652 0.008 . . . . . . A 44 ILE HD12 . 34864 1 440 . 1 . 1 44 44 ILE HD13 H 1 0.652 0.008 . . . . . . A 44 ILE HD13 . 34864 1 441 . 1 . 1 44 44 ILE CA C 13 63.023 0.077 . . . . . . A 44 ILE CA . 34864 1 442 . 1 . 1 44 44 ILE CB C 13 34.929 0.022 . . . . . . A 44 ILE CB . 34864 1 443 . 1 . 1 44 44 ILE CG2 C 13 17.638 0.087 . . . . . . A 44 ILE CG2 . 34864 1 444 . 1 . 1 44 44 ILE CD1 C 13 10.791 0.058 . . . . . . A 44 ILE CD1 . 34864 1 445 . 1 . 1 44 44 ILE N N 15 120.064 0.074 . . . . . . A 44 ILE N . 34864 1 446 . 1 . 1 45 45 THR H H 1 8.690 0.003 . . . . . . A 45 THR H . 34864 1 447 . 1 . 1 45 45 THR HA H 1 3.779 0.008 . . . . . . A 45 THR HA . 34864 1 448 . 1 . 1 45 45 THR HB H 1 4.332 0.002 . . . . . . A 45 THR HB . 34864 1 449 . 1 . 1 45 45 THR HG21 H 1 1.165 0.002 . . . . . . A 45 THR HG21 . 34864 1 450 . 1 . 1 45 45 THR HG22 H 1 1.165 0.002 . . . . . . A 45 THR HG22 . 34864 1 451 . 1 . 1 45 45 THR HG23 H 1 1.165 0.002 . . . . . . A 45 THR HG23 . 34864 1 452 . 1 . 1 45 45 THR CA C 13 64.897 0.055 . . . . . . A 45 THR CA . 34864 1 453 . 1 . 1 45 45 THR CB C 13 65.578 0.010 . . . . . . A 45 THR CB . 34864 1 454 . 1 . 1 45 45 THR CG2 C 13 18.794 0.008 . . . . . . A 45 THR CG2 . 34864 1 455 . 1 . 1 45 45 THR N N 15 118.404 0.018 . . . . . . A 45 THR N . 34864 1 456 . 1 . 1 46 46 SER H H 1 7.799 0.004 . . . . . . A 46 SER H . 34864 1 457 . 1 . 1 46 46 SER HA H 1 4.217 0.005 . . . . . . A 46 SER HA . 34864 1 458 . 1 . 1 46 46 SER HB2 H 1 3.918 0.030 . . . . . . A 46 SER HB2 . 34864 1 459 . 1 . 1 46 46 SER HB3 H 1 3.974 0.002 . . . . . . A 46 SER HB3 . 34864 1 460 . 1 . 1 46 46 SER CA C 13 59.887 0.056 . . . . . . A 46 SER CA . 34864 1 461 . 1 . 1 46 46 SER N N 15 117.343 0.025 . . . . . . A 46 SER N . 34864 1 462 . 1 . 1 47 47 VAL H H 1 7.234 0.004 . . . . . . A 47 VAL H . 34864 1 463 . 1 . 1 47 47 VAL HA H 1 3.625 0.005 . . . . . . A 47 VAL HA . 34864 1 464 . 1 . 1 47 47 VAL HB H 1 2.240 0.006 . . . . . . A 47 VAL HB . 34864 1 465 . 1 . 1 47 47 VAL HG11 H 1 0.843 0.013 . . . . . . A 47 VAL HG11 . 34864 1 466 . 1 . 1 47 47 VAL HG12 H 1 0.843 0.013 . . . . . . A 47 VAL HG12 . 34864 1 467 . 1 . 1 47 47 VAL HG13 H 1 0.843 0.013 . . . . . . A 47 VAL HG13 . 34864 1 468 . 1 . 1 47 47 VAL HG21 H 1 1.044 0.007 . . . . . . A 47 VAL HG21 . 34864 1 469 . 1 . 1 47 47 VAL HG22 H 1 1.044 0.007 . . . . . . A 47 VAL HG22 . 34864 1 470 . 1 . 1 47 47 VAL HG23 H 1 1.044 0.007 . . . . . . A 47 VAL HG23 . 34864 1 471 . 1 . 1 47 47 VAL CA C 13 63.682 0.073 . . . . . . A 47 VAL CA . 34864 1 472 . 1 . 1 47 47 VAL CB C 13 28.529 0.050 . . . . . . A 47 VAL CB . 34864 1 473 . 1 . 1 47 47 VAL CG2 C 13 19.167 0.027 . . . . . . A 47 VAL CG2 . 34864 1 474 . 1 . 1 47 47 VAL N N 15 121.607 0.063 . . . . . . A 47 VAL N . 34864 1 475 . 1 . 1 48 48 ARG H H 1 8.071 0.003 . . . . . . A 48 ARG H . 34864 1 476 . 1 . 1 48 48 ARG HA H 1 3.962 0.005 . . . . . . A 48 ARG HA . 34864 1 477 . 1 . 1 48 48 ARG HB2 H 1 2.172 0.011 . . . . . . A 48 ARG HB2 . 34864 1 478 . 1 . 1 48 48 ARG HB3 H 1 1.655 0.007 . . . . . . A 48 ARG HB3 . 34864 1 479 . 1 . 1 48 48 ARG HG2 H 1 1.518 0.005 . . . . . . A 48 ARG HG2 . 34864 1 480 . 1 . 1 48 48 ARG HG3 H 1 1.657 0.005 . . . . . . A 48 ARG HG3 . 34864 1 481 . 1 . 1 48 48 ARG HD2 H 1 3.039 0.008 . . . . . . A 48 ARG HD2 . 34864 1 482 . 1 . 1 48 48 ARG HD3 H 1 3.119 0.000 . . . . . . A 48 ARG HD3 . 34864 1 483 . 1 . 1 48 48 ARG CA C 13 57.482 0.014 . . . . . . A 48 ARG CA . 34864 1 484 . 1 . 1 48 48 ARG CB C 13 25.830 0.007 . . . . . . A 48 ARG CB . 34864 1 485 . 1 . 1 48 48 ARG N N 15 124.467 0.032 . . . . . . A 48 ARG N . 34864 1 486 . 1 . 1 49 49 GLN H H 1 8.985 0.003 . . . . . . A 49 GLN H . 34864 1 487 . 1 . 1 49 49 GLN HA H 1 4.084 0.004 . . . . . . A 49 GLN HA . 34864 1 488 . 1 . 1 49 49 GLN HB2 H 1 2.035 0.013 . . . . . . A 49 GLN HB2 . 34864 1 489 . 1 . 1 49 49 GLN HB3 H 1 2.237 0.010 . . . . . . A 49 GLN HB3 . 34864 1 490 . 1 . 1 49 49 GLN HG2 H 1 2.377 0.003 . . . . . . A 49 GLN HG2 . 34864 1 491 . 1 . 1 49 49 GLN HG3 H 1 2.469 0.013 . . . . . . A 49 GLN HG3 . 34864 1 492 . 1 . 1 49 49 GLN HE21 H 1 7.293 0.002 . . . . . . A 49 GLN HE21 . 34864 1 493 . 1 . 1 49 49 GLN HE22 H 1 6.772 0.002 . . . . . . A 49 GLN HE22 . 34864 1 494 . 1 . 1 49 49 GLN CA C 13 56.628 0.004 . . . . . . A 49 GLN CA . 34864 1 495 . 1 . 1 49 49 GLN CB C 13 25.372 0.023 . . . . . . A 49 GLN CB . 34864 1 496 . 1 . 1 49 49 GLN N N 15 119.792 0.068 . . . . . . A 49 GLN N . 34864 1 497 . 1 . 1 49 49 GLN NE2 N 15 111.052 0.025 . . . . . . A 49 GLN NE2 . 34864 1 498 . 1 . 1 50 50 ASN H H 1 8.087 0.005 . . . . . . A 50 ASN H . 34864 1 499 . 1 . 1 50 50 ASN HA H 1 4.445 0.012 . . . . . . A 50 ASN HA . 34864 1 500 . 1 . 1 50 50 ASN HB2 H 1 3.145 0.018 . . . . . . A 50 ASN HB2 . 34864 1 501 . 1 . 1 50 50 ASN HB3 H 1 2.853 0.004 . . . . . . A 50 ASN HB3 . 34864 1 502 . 1 . 1 50 50 ASN HD21 H 1 7.459 0.002 . . . . . . A 50 ASN HD21 . 34864 1 503 . 1 . 1 50 50 ASN HD22 H 1 6.788 0.003 . . . . . . A 50 ASN HD22 . 34864 1 504 . 1 . 1 50 50 ASN CA C 13 53.509 0.030 . . . . . . A 50 ASN CA . 34864 1 505 . 1 . 1 50 50 ASN CB C 13 35.398 0.028 . . . . . . A 50 ASN CB . 34864 1 506 . 1 . 1 50 50 ASN N N 15 120.050 0.009 . . . . . . A 50 ASN N . 34864 1 507 . 1 . 1 50 50 ASN ND2 N 15 109.497 0.028 . . . . . . A 50 ASN ND2 . 34864 1 508 . 1 . 1 51 51 GLY H H 1 8.197 0.002 . . . . . . A 51 GLY H . 34864 1 509 . 1 . 1 51 51 GLY HA2 H 1 3.659 0.014 . . . . . . A 51 GLY HA2 . 34864 1 510 . 1 . 1 51 51 GLY HA3 H 1 4.081 0.007 . . . . . . A 51 GLY HA3 . 34864 1 511 . 1 . 1 51 51 GLY CA C 13 44.795 0.026 . . . . . . A 51 GLY CA . 34864 1 512 . 1 . 1 51 51 GLY N N 15 108.641 0.042 . . . . . . A 51 GLY N . 34864 1 513 . 1 . 1 52 52 ASP H H 1 8.411 0.004 . . . . . . A 52 ASP H . 34864 1 514 . 1 . 1 52 52 ASP HA H 1 4.404 0.015 . . . . . . A 52 ASP HA . 34864 1 515 . 1 . 1 52 52 ASP HB2 H 1 2.868 0.003 . . . . . . A 52 ASP HB2 . 34864 1 516 . 1 . 1 52 52 ASP HB3 H 1 2.568 0.015 . . . . . . A 52 ASP HB3 . 34864 1 517 . 1 . 1 52 52 ASP CA C 13 55.156 0.020 . . . . . . A 52 ASP CA . 34864 1 518 . 1 . 1 52 52 ASP CB C 13 37.529 0.068 . . . . . . A 52 ASP CB . 34864 1 519 . 1 . 1 52 52 ASP N N 15 122.825 0.020 . . . . . . A 52 ASP N . 34864 1 520 . 1 . 1 53 53 GLN H H 1 7.899 0.009 . . . . . . A 53 GLN H . 34864 1 521 . 1 . 1 53 53 GLN HA H 1 4.073 0.003 . . . . . . A 53 GLN HA . 34864 1 522 . 1 . 1 53 53 GLN HB2 H 1 2.203 0.004 . . . . . . A 53 GLN HB2 . 34864 1 523 . 1 . 1 53 53 GLN HB3 H 1 2.336 0.014 . . . . . . A 53 GLN HB3 . 34864 1 524 . 1 . 1 53 53 GLN HG2 H 1 2.526 0.005 . . . . . . A 53 GLN HG2 . 34864 1 525 . 1 . 1 53 53 GLN HG3 H 1 2.864 0.001 . . . . . . A 53 GLN HG3 . 34864 1 526 . 1 . 1 53 53 GLN CA C 13 56.347 0.004 . . . . . . A 53 GLN CA . 34864 1 527 . 1 . 1 53 53 GLN CB C 13 25.610 0.081 . . . . . . A 53 GLN CB . 34864 1 528 . 1 . 1 53 53 GLN N N 15 120.424 0.093 . . . . . . A 53 GLN N . 34864 1 529 . 1 . 1 54 54 ILE H H 1 7.704 0.004 . . . . . . A 54 ILE H . 34864 1 530 . 1 . 1 54 54 ILE HA H 1 3.478 0.010 . . . . . . A 54 ILE HA . 34864 1 531 . 1 . 1 54 54 ILE HB H 1 2.071 0.011 . . . . . . A 54 ILE HB . 34864 1 532 . 1 . 1 54 54 ILE HG12 H 1 1.503 0.002 . . . . . . A 54 ILE HG12 . 34864 1 533 . 1 . 1 54 54 ILE HG13 H 1 1.574 0.000 . . . . . . A 54 ILE HG13 . 34864 1 534 . 1 . 1 54 54 ILE HG21 H 1 0.852 0.000 . . . . . . A 54 ILE HG21 . 34864 1 535 . 1 . 1 54 54 ILE HG22 H 1 0.852 0.000 . . . . . . A 54 ILE HG22 . 34864 1 536 . 1 . 1 54 54 ILE HG23 H 1 0.852 0.000 . . . . . . A 54 ILE HG23 . 34864 1 537 . 1 . 1 54 54 ILE HD11 H 1 0.720 0.001 . . . . . . A 54 ILE HD11 . 34864 1 538 . 1 . 1 54 54 ILE HD12 H 1 0.720 0.001 . . . . . . A 54 ILE HD12 . 34864 1 539 . 1 . 1 54 54 ILE HD13 H 1 0.720 0.001 . . . . . . A 54 ILE HD13 . 34864 1 540 . 1 . 1 54 54 ILE CA C 13 63.435 0.046 . . . . . . A 54 ILE CA . 34864 1 541 . 1 . 1 54 54 ILE CB C 13 35.521 0.062 . . . . . . A 54 ILE CB . 34864 1 542 . 1 . 1 54 54 ILE N N 15 119.759 0.037 . . . . . . A 54 ILE N . 34864 1 543 . 1 . 1 55 55 ILE H H 1 7.903 0.002 . . . . . . A 55 ILE H . 34864 1 544 . 1 . 1 55 55 ILE HA H 1 3.347 0.007 . . . . . . A 55 ILE HA . 34864 1 545 . 1 . 1 55 55 ILE HB H 1 1.962 0.008 . . . . . . A 55 ILE HB . 34864 1 546 . 1 . 1 55 55 ILE HG12 H 1 0.941 0.000 . . . . . . A 55 ILE HG12 . 34864 1 547 . 1 . 1 55 55 ILE HG21 H 1 0.861 0.014 . . . . . . A 55 ILE HG21 . 34864 1 548 . 1 . 1 55 55 ILE HG22 H 1 0.861 0.014 . . . . . . A 55 ILE HG22 . 34864 1 549 . 1 . 1 55 55 ILE HG23 H 1 0.861 0.014 . . . . . . A 55 ILE HG23 . 34864 1 550 . 1 . 1 55 55 ILE HD11 H 1 0.719 0.022 . . . . . . A 55 ILE HD11 . 34864 1 551 . 1 . 1 55 55 ILE HD12 H 1 0.719 0.022 . . . . . . A 55 ILE HD12 . 34864 1 552 . 1 . 1 55 55 ILE HD13 H 1 0.719 0.022 . . . . . . A 55 ILE HD13 . 34864 1 553 . 1 . 1 55 55 ILE CA C 13 63.606 0.089 . . . . . . A 55 ILE CA . 34864 1 554 . 1 . 1 55 55 ILE CB C 13 35.126 0.055 . . . . . . A 55 ILE CB . 34864 1 555 . 1 . 1 55 55 ILE N N 15 118.339 0.015 . . . . . . A 55 ILE N . 34864 1 556 . 1 . 1 56 56 GLN H H 1 7.734 0.003 . . . . . . A 56 GLN H . 34864 1 557 . 1 . 1 56 56 GLN HA H 1 4.015 0.007 . . . . . . A 56 GLN HA . 34864 1 558 . 1 . 1 56 56 GLN HB2 H 1 2.101 0.006 . . . . . . A 56 GLN HB2 . 34864 1 559 . 1 . 1 56 56 GLN HB3 H 1 1.963 0.002 . . . . . . A 56 GLN HB3 . 34864 1 560 . 1 . 1 56 56 GLN HG2 H 1 2.292 0.019 . . . . . . A 56 GLN HG2 . 34864 1 561 . 1 . 1 56 56 GLN HG3 H 1 2.403 0.000 . . . . . . A 56 GLN HG3 . 34864 1 562 . 1 . 1 56 56 GLN HE21 H 1 7.531 0.001 . . . . . . A 56 GLN HE21 . 34864 1 563 . 1 . 1 56 56 GLN HE22 H 1 6.679 0.002 . . . . . . A 56 GLN HE22 . 34864 1 564 . 1 . 1 56 56 GLN CA C 13 56.754 0.104 . . . . . . A 56 GLN CA . 34864 1 565 . 1 . 1 56 56 GLN CB C 13 25.506 0.017 . . . . . . A 56 GLN CB . 34864 1 566 . 1 . 1 56 56 GLN N N 15 117.895 0.085 . . . . . . A 56 GLN N . 34864 1 567 . 1 . 1 56 56 GLN NE2 N 15 111.759 0.002 . . . . . . A 56 GLN NE2 . 34864 1 568 . 1 . 1 57 57 ILE H H 1 7.742 0.006 . . . . . . A 57 ILE H . 34864 1 569 . 1 . 1 57 57 ILE HA H 1 3.790 0.014 . . . . . . A 57 ILE HA . 34864 1 570 . 1 . 1 57 57 ILE HB H 1 1.829 0.012 . . . . . . A 57 ILE HB . 34864 1 571 . 1 . 1 57 57 ILE HG12 H 1 1.122 0.014 . . . . . . A 57 ILE HG12 . 34864 1 572 . 1 . 1 57 57 ILE HG21 H 1 0.903 0.006 . . . . . . A 57 ILE HG21 . 34864 1 573 . 1 . 1 57 57 ILE HG22 H 1 0.903 0.006 . . . . . . A 57 ILE HG22 . 34864 1 574 . 1 . 1 57 57 ILE HG23 H 1 0.903 0.006 . . . . . . A 57 ILE HG23 . 34864 1 575 . 1 . 1 57 57 ILE HD11 H 1 0.780 0.014 . . . . . . A 57 ILE HD11 . 34864 1 576 . 1 . 1 57 57 ILE HD12 H 1 0.780 0.014 . . . . . . A 57 ILE HD12 . 34864 1 577 . 1 . 1 57 57 ILE HD13 H 1 0.780 0.014 . . . . . . A 57 ILE HD13 . 34864 1 578 . 1 . 1 57 57 ILE CA C 13 62.068 0.076 . . . . . . A 57 ILE CA . 34864 1 579 . 1 . 1 57 57 ILE CB C 13 35.530 0.095 . . . . . . A 57 ILE CB . 34864 1 580 . 1 . 1 57 57 ILE CG1 C 13 26.058 0.018 . . . . . . A 57 ILE CG1 . 34864 1 581 . 1 . 1 57 57 ILE CD1 C 13 10.840 0.029 . . . . . . A 57 ILE CD1 . 34864 1 582 . 1 . 1 57 57 ILE N N 15 118.702 0.039 . . . . . . A 57 ILE N . 34864 1 583 . 1 . 1 58 58 LEU H H 1 8.283 0.003 . . . . . . A 58 LEU H . 34864 1 584 . 1 . 1 58 58 LEU HA H 1 3.875 0.013 . . . . . . A 58 LEU HA . 34864 1 585 . 1 . 1 58 58 LEU HB2 H 1 1.149 0.002 . . . . . . A 58 LEU HB2 . 34864 1 586 . 1 . 1 58 58 LEU HB3 H 1 1.927 0.004 . . . . . . A 58 LEU HB3 . 34864 1 587 . 1 . 1 58 58 LEU HD11 H 1 0.765 0.009 . . . . . . A 58 LEU HD11 . 34864 1 588 . 1 . 1 58 58 LEU HD12 H 1 0.765 0.009 . . . . . . A 58 LEU HD12 . 34864 1 589 . 1 . 1 58 58 LEU HD13 H 1 0.765 0.009 . . . . . . A 58 LEU HD13 . 34864 1 590 . 1 . 1 58 58 LEU HD21 H 1 0.906 0.023 . . . . . . A 58 LEU HD21 . 34864 1 591 . 1 . 1 58 58 LEU HD22 H 1 0.906 0.023 . . . . . . A 58 LEU HD22 . 34864 1 592 . 1 . 1 58 58 LEU HD23 H 1 0.906 0.023 . . . . . . A 58 LEU HD23 . 34864 1 593 . 1 . 1 58 58 LEU CA C 13 55.184 0.022 . . . . . . A 58 LEU CA . 34864 1 594 . 1 . 1 58 58 LEU CB C 13 39.876 0.037 . . . . . . A 58 LEU CB . 34864 1 595 . 1 . 1 58 58 LEU N N 15 119.865 0.068 . . . . . . A 58 LEU N . 34864 1 596 . 1 . 1 59 59 ASP H H 1 8.545 0.002 . . . . . . A 59 ASP H . 34864 1 597 . 1 . 1 59 59 ASP HA H 1 4.376 0.007 . . . . . . A 59 ASP HA . 34864 1 598 . 1 . 1 59 59 ASP HB2 H 1 2.650 0.005 . . . . . . A 59 ASP HB2 . 34864 1 599 . 1 . 1 59 59 ASP HB3 H 1 2.200 0.000 . . . . . . A 59 ASP HB3 . 34864 1 600 . 1 . 1 59 59 ASP CA C 13 53.741 0.037 . . . . . . A 59 ASP CA . 34864 1 601 . 1 . 1 59 59 ASP CB C 13 39.150 0.022 . . . . . . A 59 ASP CB . 34864 1 602 . 1 . 1 59 59 ASP N N 15 118.415 0.034 . . . . . . A 59 ASP N . 34864 1 603 . 1 . 1 60 60 GLU H H 1 7.996 0.002 . . . . . . A 60 GLU H . 34864 1 604 . 1 . 1 60 60 GLU HA H 1 4.137 0.002 . . . . . . A 60 GLU HA . 34864 1 605 . 1 . 1 60 60 GLU HB2 H 1 2.049 0.020 . . . . . . A 60 GLU HB2 . 34864 1 606 . 1 . 1 60 60 GLU HB3 H 1 1.985 0.000 . . . . . . A 60 GLU HB3 . 34864 1 607 . 1 . 1 60 60 GLU HG2 H 1 2.429 0.011 . . . . . . A 60 GLU HG2 . 34864 1 608 . 1 . 1 60 60 GLU CA C 13 55.560 0.033 . . . . . . A 60 GLU CA . 34864 1 609 . 1 . 1 60 60 GLU CB C 13 28.068 0.090 . . . . . . A 60 GLU CB . 34864 1 610 . 1 . 1 60 60 GLU N N 15 117.526 0.076 . . . . . . A 60 GLU N . 34864 1 611 . 1 . 1 61 61 GLU H H 1 8.545 0.001 . . . . . . A 61 GLU H . 34864 1 612 . 1 . 1 61 61 GLU HA H 1 4.397 0.003 . . . . . . A 61 GLU HA . 34864 1 613 . 1 . 1 61 61 GLU HB2 H 1 2.008 0.006 . . . . . . A 61 GLU HB2 . 34864 1 614 . 1 . 1 61 61 GLU HB3 H 1 2.197 0.026 . . . . . . A 61 GLU HB3 . 34864 1 615 . 1 . 1 61 61 GLU HG2 H 1 2.415 0.000 . . . . . . A 61 GLU HG2 . 34864 1 616 . 1 . 1 61 61 GLU CA C 13 54.154 0.009 . . . . . . A 61 GLU CA . 34864 1 617 . 1 . 1 61 61 GLU CB C 13 28.349 0.011 . . . . . . A 61 GLU CB . 34864 1 618 . 1 . 1 61 61 GLU N N 15 117.754 0.136 . . . . . . A 61 GLU N . 34864 1 619 . 1 . 1 62 62 GLY H H 1 8.088 0.002 . . . . . . A 62 GLY H . 34864 1 620 . 1 . 1 62 62 GLY HA2 H 1 4.118 0.004 . . . . . . A 62 GLY HA2 . 34864 1 621 . 1 . 1 62 62 GLY HA3 H 1 3.869 0.005 . . . . . . A 62 GLY HA3 . 34864 1 622 . 1 . 1 62 62 GLY CA C 13 42.452 0.026 . . . . . . A 62 GLY CA . 34864 1 623 . 1 . 1 62 62 GLY N N 15 108.802 0.019 . . . . . . A 62 GLY N . 34864 1 624 . 1 . 1 63 63 ILE H H 1 8.114 0.005 . . . . . . A 63 ILE H . 34864 1 625 . 1 . 1 63 63 ILE HA H 1 4.630 0.004 . . . . . . A 63 ILE HA . 34864 1 626 . 1 . 1 63 63 ILE HB H 1 1.649 0.002 . . . . . . A 63 ILE HB . 34864 1 627 . 1 . 1 63 63 ILE HG12 H 1 1.002 0.011 . . . . . . A 63 ILE HG12 . 34864 1 628 . 1 . 1 63 63 ILE HG13 H 1 1.407 0.005 . . . . . . A 63 ILE HG13 . 34864 1 629 . 1 . 1 63 63 ILE HG21 H 1 0.806 0.014 . . . . . . A 63 ILE HG21 . 34864 1 630 . 1 . 1 63 63 ILE HG22 H 1 0.806 0.014 . . . . . . A 63 ILE HG22 . 34864 1 631 . 1 . 1 63 63 ILE HG23 H 1 0.806 0.014 . . . . . . A 63 ILE HG23 . 34864 1 632 . 1 . 1 63 63 ILE HD11 H 1 0.734 0.015 . . . . . . A 63 ILE HD11 . 34864 1 633 . 1 . 1 63 63 ILE HD12 H 1 0.734 0.015 . . . . . . A 63 ILE HD12 . 34864 1 634 . 1 . 1 63 63 ILE HD13 H 1 0.734 0.015 . . . . . . A 63 ILE HD13 . 34864 1 635 . 1 . 1 63 63 ILE CA C 13 56.589 0.035 . . . . . . A 63 ILE CA . 34864 1 636 . 1 . 1 63 63 ILE CB C 13 37.498 0.070 . . . . . . A 63 ILE CB . 34864 1 637 . 1 . 1 63 63 ILE CG1 C 13 25.069 0.040 . . . . . . A 63 ILE CG1 . 34864 1 638 . 1 . 1 63 63 ILE N N 15 117.765 0.055 . . . . . . A 63 ILE N . 34864 1 639 . 1 . 1 64 64 ALA H H 1 8.372 0.002 . . . . . . A 64 ALA H . 34864 1 640 . 1 . 1 64 64 ALA HA H 1 4.368 0.004 . . . . . . A 64 ALA HA . 34864 1 641 . 1 . 1 64 64 ALA HB1 H 1 1.264 0.002 . . . . . . A 64 ALA HB1 . 34864 1 642 . 1 . 1 64 64 ALA HB2 H 1 1.264 0.002 . . . . . . A 64 ALA HB2 . 34864 1 643 . 1 . 1 64 64 ALA HB3 H 1 1.264 0.002 . . . . . . A 64 ALA HB3 . 34864 1 644 . 1 . 1 64 64 ALA CA C 13 49.121 0.023 . . . . . . A 64 ALA CA . 34864 1 645 . 1 . 1 64 64 ALA CB C 13 17.430 0.014 . . . . . . A 64 ALA CB . 34864 1 646 . 1 . 1 64 64 ALA N N 15 129.832 0.035 . . . . . . A 64 ALA N . 34864 1 647 . 1 . 1 65 65 GLU H H 1 8.041 0.005 . . . . . . A 65 GLU H . 34864 1 648 . 1 . 1 65 65 GLU HA H 1 4.037 0.001 . . . . . . A 65 GLU HA . 34864 1 649 . 1 . 1 65 65 GLU HB2 H 1 1.886 0.021 . . . . . . A 65 GLU HB2 . 34864 1 650 . 1 . 1 65 65 GLU HB3 H 1 2.000 0.000 . . . . . . A 65 GLU HB3 . 34864 1 651 . 1 . 1 65 65 GLU HG2 H 1 2.203 0.000 . . . . . . A 65 GLU HG2 . 34864 1 652 . 1 . 1 65 65 GLU CA C 13 55.745 0.050 . . . . . . A 65 GLU CA . 34864 1 653 . 1 . 1 65 65 GLU CB C 13 28.331 0.021 . . . . . . A 65 GLU CB . 34864 1 654 . 1 . 1 65 65 GLU N N 15 125.760 0.026 . . . . . . A 65 GLU N . 34864 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 34864 _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 6 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #SPECTRUM N15NOESY N H HN 4 124.373 9.359 9.131 1 U 9.520000E+06 0.000000E+00 a 0 62 88 63 5 121.111 9.358 7.711 1 U 1.350000E+07 0.000000E+00 a 0 121 88 122 6 118.809 9.357 6.968 1 U 7.415000E+07 0.000000E+00 a 0 104 88 105 7 116.666 9.361 9.364 1 U 7.474000E+08 0.000000E+00 a 0 87 88 88 18 129.837 9.129 8.372 1 U 1.082000E+07 0.000000E+00 a 0 1119 63 1120 19 124.383 9.131 9.131 1 U 6.572000E+07 0.000000E+00 a 0 62 63 63 21 118.790 9.135 6.966 1 U 9.731000E+06 0.000000E+00 a 0 104 63 105 22 116.667 9.131 9.364 1 U 4.832000E+07 0.000000E+00 a 0 87 63 88 30 121.614 9.022 7.735 1 U 1.498000E+07 0.000000E+00 a 0 693 742 694 31 121.486 9.013 7.256 1 U 1.911000E+07 0.000000E+00 a 0 762 742 763 32 120.310 9.017 9.017 1 U 6.199000E+08 0.000000E+00 a 0 741 742 742 33 118.059 9.015 8.107 1 U 7.830000E+07 0.000000E+00 a 0 0 742 718 34 114.800 9.016 8.173 1 U 9.540000E+07 0.000000E+00 a 0 751 742 752 35 124.491 8.984 8.072 1 U 5.902000E+07 0.000000E+00 a 0 841 868 842 36 122.855 8.984 8.412 1 U 8.038000E+06 0.000000E+00 a 0 908 868 909 37 121.527 8.995 7.244 1 U 1.791000E+07 0.000000E+00 a 0 823 868 824 38 120.042 8.985 8.087 1 U 8.396000E+07 0.000000E+00 a 0 0 868 887 39 119.826 8.985 8.984 1 U 4.746000E+08 0.000000E+00 a 0 867 868 868 40 117.372 8.983 7.800 1 U 8.927000E+06 0.000000E+00 a 0 812 868 813 41 108.636 8.984 8.194 1 U 1.232000E+07 0.000000E+00 a 0 901 868 902 44 124.116 8.933 8.590 1 U 6.807000E+07 0.000000E+00 a 0 533 549 534 46 122.016 8.933 8.144 1 U 7.774000E+07 0.000000E+00 a 0 248 224 249 47 121.938 8.932 7.083 1 U 1.666000E+08 0.000000E+00 a 0 559 549 560 48 121.367 8.933 8.247 1 U 6.212000E+07 0.000000E+00 a 0 202 224 203 49 120.670 8.932 8.934 1 U 1.007000E+08 0.000000E+00 a 0 223 224 224 50 120.749 8.932 7.285 1 U 7.488000E+06 0.000000E+00 a 0 0 549 521 51 120.568 8.934 8.522 1 U 7.193000E+06 0.000000E+00 a 0 0 224 274 52 119.289 8.934 7.799 1 U 1.252000E+07 0.000000E+00 a 0 258 224 259 53 119.066 8.935 7.791 1 U 1.193000E+07 0.000000E+00 a 0 164 224 165 55 116.456 8.935 8.936 1 U 8.627000E+08 0.000000E+00 a 0 548 549 549 62 113.989 8.873 8.871 4 U 1.572000E+07 0.000000E+00 a 0 0 0 0 75 124.945 8.737 8.737 1 U 1.391000E+08 0.000000E+00 a 0 37 38 38 77 123.377 8.733 8.380 1 U 1.206000E+07 0.000000E+00 a 0 18 38 19 78 118.838 8.735 6.969 1 U 1.586000E+07 0.000000E+00 a 0 104 38 105 81 116.668 8.736 9.364 1 U 6.273000E+06 0.000000E+00 a 0 87 38 88 83 121.497 8.684 7.257 1 U 2.035000E+07 0.000000E+00 a 0 762 799 763 84 120.018 8.681 8.292 3 U 6.309000E+07 0.000000E+00 a 0 777 799 778 #QU 0.976 #SUP 0.98 86 118.426 8.688 8.689 1 U 3.726000E+08 0.000000E+00 a 0 798 799 799 89 117.326 8.685 7.798 1 U 8.077000E+07 0.000000E+00 a 0 812 799 813 95 104.714 8.623 8.624 4 U 3.867000E+07 0.000000E+00 a 0 0 0 0 96 124.103 8.591 8.591 1 U 3.501000E+08 0.000000E+00 a 0 533 534 534 97 123.879 8.593 8.364 1 U 2.021000E+07 0.000000E+00 a 0 0 582 595 98 123.572 8.595 8.596 1 U 7.457000E+08 0.000000E+00 a 0 581 582 582 101 121.934 8.594 7.083 1 U 3.830000E+07 0.000000E+00 a 0 559 582 560 102 120.736 8.590 7.286 1 U 2.764000E+07 0.000000E+00 a 0 520 534 521 104 118.172 8.591 7.723 3 U 1.354000E+07 0.000000E+00 a 0 640 582 641 #QU 0.992 #SUP 0.99 105 116.459 8.591 8.936 1 U 8.357000E+07 0.000000E+00 a 0 548 534 549 106 113.000 8.589 6.884 1 U 8.124000E+06 0.000000E+00 a 0 543 534 545 107 112.959 8.595 7.560 1 U 1.124000E+07 0.000000E+00 a 0 543 534 544 111 118.337 8.570 7.734 3 U 1.108000E+07 0.000000E+00 a 0 640 582 641 #VC 0.60629 #QU 0.558 #SUP 0.72 1001 1045 1002 #VC 0.39371 #QU 0.358 #SUP 0.72 114 119.886 8.548 8.281 3 U 6.722000E+07 0.000000E+00 a 0 1022 1045 1023 #QU 0.998 #SUP 1.00 116 118.743 8.540 7.741 1 U 1.247000E+07 0.000000E+00 a 0 0 1045 1002 117 118.413 8.543 8.545 1 U 7.534000E+08 0.000000E+00 a 0 1044 1045 1045 118 117.824 8.543 8.544 1 U 8.288000E+08 0.000000E+00 a 0 1074 1075 1075 119 117.492 8.543 7.996 1 U 2.426000E+08 0.000000E+00 a 0 0 1075 1058 120 108.808 8.542 8.087 1 U 1.832000E+08 0.000000E+00 a 0 1091 1075 1092 125 122.034 8.520 8.145 1 U 1.597000E+07 0.000000E+00 a 0 248 274 249 126 121.612 8.519 7.668 1 U 1.140000E+07 0.000000E+00 a 0 0 274 315 127 120.963 8.523 8.184 1 U 7.702000E+07 0.000000E+00 a 0 288 274 289 128 120.567 8.523 8.523 1 U 5.482000E+08 0.000000E+00 a 0 273 274 274 129 119.276 8.516 7.800 1 U 8.665000E+07 0.000000E+00 a 0 258 274 259 135 120.702 8.472 7.287 1 U 9.487000E+06 0.000000E+00 a 0 0 456 521 138 123.577 8.445 8.595 1 U 2.243000E+07 0.000000E+00 a 0 581 655 582 141 120.186 8.467 8.469 1 U 4.319000E+08 0.000000E+00 a 0 455 456 456 142 118.811 8.441 6.652 1 U 9.471000E+06 0.000000E+00 a 0 670 655 671 143 118.544 8.465 7.318 1 U 1.108000E+07 0.000000E+00 a 0 498 456 499 144 118.356 8.464 8.004 1 U 1.026000E+08 0.000000E+00 a 0 0 456 439 146 115.359 8.462 7.967 1 U 7.433000E+07 0.000000E+00 a 0 0 456 475 148 121.590 8.433 7.737 1 U 1.160000E+07 0.000000E+00 a 0 693 655 694 150 120.669 8.437 8.439 1 U 4.152000E+08 0.000000E+00 a 0 654 655 655 151 120.033 8.417 8.086 1 U 1.405000E+07 0.000000E+00 a 0 0 909 887 155 118.156 8.435 7.728 1 U 1.101000E+08 0.000000E+00 a 0 0 655 641 156 116.772 8.439 8.203 1 U 8.295000E+07 0.000000E+00 a 0 0 655 681 159 122.825 8.410 8.411 1 U 5.627000E+08 0.000000E+00 a 0 908 909 909 161 120.485 8.408 7.896 1 U 8.436000E+07 0.000000E+00 a 0 0 909 922 163 119.754 8.411 7.701 1 U 9.836000E+06 0.000000E+00 a 0 0 909 941 167 108.657 8.407 8.195 1 U 7.547000E+07 0.000000E+00 a 0 901 909 902 168 107.482 8.404 7.157 1 U 1.288000E+07 0.000000E+00 a 0 283 909 284 170 129.828 8.371 8.372 1 U 1.278000E+09 0.000000E+00 a 0 1119 1120 1120 173 123.873 8.367 8.364 1 U 5.247000E+08 0.000000E+00 a 0 594 595 595 174 123.592 8.369 8.597 1 U 3.011000E+07 0.000000E+00 a 0 0 595 582 175 123.366 8.375 8.378 1 U 3.512000E+08 0.000000E+00 a 0 18 19 19 176 122.160 8.372 7.904 1 U 9.693000E+07 0.000000E+00 a 0 373 359 374 177 121.601 8.367 7.668 1 U 1.409000E+07 0.000000E+00 a 0 0 359 315 181 118.607 8.374 8.142 1 U 5.717000E+07 0.000000E+00 a 0 0 359 337 186 116.948 8.374 8.375 1 U 5.456000E+08 0.000000E+00 a 0 358 359 359 188 112.083 8.372 7.612 1 U 1.123000E+07 0.000000E+00 a 0 368 359 369 189 112.073 8.370 6.744 1 U 9.031000E+06 0.000000E+00 a 0 368 359 370 191 121.104 8.330 7.709 1 U 6.002000E+07 0.000000E+00 a 0 121 144 122 194 119.641 8.352 8.158 1 U 1.469000E+07 0.000000E+00 a 0 0 595 616 195 118.819 8.339 6.968 1 U 1.631000E+07 0.000000E+00 a 0 104 144 105 196 118.349 8.337 8.336 1 U 2.858000E+08 0.000000E+00 a 0 143 144 144 198 116.703 8.342 9.366 1 U 8.150000E+06 0.000000E+00 a 0 0 144 88 205 118.904 8.329 7.781 1 U 7.686000E+07 0.000000E+00 a 0 164 144 165 215 121.472 8.287 7.259 1 U 9.350000E+07 0.000000E+00 a 0 0 778 763 219 119.952 8.286 8.287 1 U 5.826000E+08 0.000000E+00 a 0 1022 1023 1023 220 118.669 8.284 7.744 3 U 7.221000E+07 0.000000E+00 a 0 1001 1023 1002 #QU 0.989 #SUP 0.99 221 118.433 8.294 8.689 1 U 6.634000E+07 0.000000E+00 a 0 0 778 799 222 118.404 8.281 8.545 1 U 8.983000E+07 0.000000E+00 a 0 1044 1023 1045 226 113.236 8.288 8.291 4 U 3.055000E+07 0.000000E+00 a 0 0 0 0 232 121.367 8.246 8.247 1 U 3.144000E+08 0.000000E+00 a 0 202 203 203 233 120.676 8.248 8.934 1 U 1.679000E+07 0.000000E+00 a 0 223 203 224 234 119.198 8.260 7.797 1 U 1.625000E+07 0.000000E+00 a 0 258 203 259 245 119.054 8.228 7.643 1 U 7.363000E+07 0.000000E+00 a 0 0 420 402 247 118.344 8.229 8.004 1 U 1.018000E+08 0.000000E+00 a 0 0 420 439 249 116.873 8.228 8.229 1 U 8.089000E+08 0.000000E+00 a 0 419 420 420 252 122.825 8.193 8.410 1 U 8.777000E+07 0.000000E+00 a 0 908 902 909 254 121.590 8.193 7.736 1 U 9.455000E+07 0.000000E+00 a 0 693 681 694 255 120.681 8.198 8.440 1 U 7.692000E+07 0.000000E+00 a 0 0 681 655 256 120.503 8.201 7.897 1 U 1.504000E+07 0.000000E+00 a 0 0 902 922 258 118.815 8.200 6.651 3 U 1.346000E+07 0.000000E+00 a 0 670 681 671 #QU 0.896 #SUP 0.90 262 116.803 8.211 8.208 1 U 7.964000E+08 0.000000E+00 a 0 680 681 681 264 109.487 8.200 7.460 1 U 6.425000E+06 0.000000E+00 a 0 896 902 897 265 109.485 8.204 6.793 1 U 4.766000E+06 0.000000E+00 a 0 896 902 898 266 108.651 8.196 8.195 1 U 4.491000E+08 0.000000E+00 a 0 901 902 902 269 123.885 8.168 8.364 1 U 5.833000E+07 0.000000E+00 a 0 0 616 595 271 121.589 8.166 7.666 1 U 1.305000E+08 0.000000E+00 a 0 0 289 315 272 121.461 8.170 7.260 1 U 1.102000E+08 0.000000E+00 a 0 762 752 763 273 120.961 8.180 8.184 1 U 5.915000E+08 0.000000E+00 a 0 288 289 289 274 120.578 8.176 8.523 1 U 1.037000E+08 0.000000E+00 a 0 0 289 274 277 118.444 8.169 8.688 3 U 9.677000E+06 0.000000E+00 a 0 798 752 799 #QU 0.994 #SUP 0.99 281 114.799 8.173 8.173 1 U 8.034000E+08 0.000000E+00 a 0 751 752 752 282 106.389 8.181 7.704 3 U 1.211000E+07 0.000000E+00 a 0 268 902 269 #QU 0.903 #SUP 0.90 285 122.011 8.145 8.144 1 U 7.147000E+08 0.000000E+00 a 0 248 249 249 286 120.673 8.144 8.933 1 U 1.750000E+07 0.000000E+00 a 0 0 249 224 290 119.633 8.154 8.157 1 U 2.134000E+08 0.000000E+00 a 0 615 616 616 291 119.241 8.146 7.800 1 U 1.107000E+08 0.000000E+00 a 0 258 249 259 293 118.802 8.146 7.738 4 U 9.622000E+06 0.000000E+00 a 0 0 0 0 294 118.610 8.142 8.142 1 U 3.282000E+08 0.000000E+00 a 0 336 337 337 296 118.146 8.154 7.727 3 U 1.299000E+08 0.000000E+00 a 0 640 616 641 #QU 0.985 #SUP 0.99 298 116.922 8.146 8.374 1 U 7.929000E+07 0.000000E+00 a 0 358 337 359 303 120.315 8.127 9.017 1 U 1.133000E+08 0.000000E+00 a 0 0 718 742 305 117.719 8.116 8.116 1 U 1.329000E+09 0.000000E+00 a 0 1098 1099 1099 309 121.620 8.102 7.736 1 U 7.789000E+07 0.000000E+00 a 0 0 718 694 315 120.049 8.088 8.087 1 U 6.948000E+08 0.000000E+00 a 0 886 887 887 316 119.830 8.084 8.983 1 U 1.360000E+08 0.000000E+00 a 0 0 887 868 320 117.828 8.089 8.545 3 U 1.710000E+08 0.000000E+00 a 0 1074 1092 1075 #QU 0.995 #SUP 0.99 322 109.496 8.085 7.460 1 U 1.908000E+07 0.000000E+00 a 0 896 887 897 323 109.523 8.092 6.788 1 U 1.491000E+07 0.000000E+00 a 0 896 887 898 324 108.812 8.089 8.088 1 U 8.861000E+08 0.000000E+00 a 0 1091 1092 1092 325 108.654 8.089 8.194 1 U 1.087000E+08 0.000000E+00 a 0 0 887 902 326 129.839 8.062 8.372 1 U 3.736000E+07 0.000000E+00 a 0 1119 1130 1120 327 124.472 8.069 8.071 1 U 3.524000E+08 0.000000E+00 a 0 841 842 842 329 122.837 8.060 8.409 1 U 1.952000E+07 0.000000E+00 a 0 908 887 909 330 121.548 8.065 7.234 1 U 8.321000E+07 0.000000E+00 a 0 0 842 824 331 121.365 8.061 8.246 1 U 6.559000E+07 0.000000E+00 a 0 202 178 203 334 118.915 8.065 7.781 1 U 8.809000E+07 0.000000E+00 a 0 164 178 165 342 125.771 8.038 8.040 1 U 3.576000E+09 0.000000E+00 a 0 1129 1130 1130 362 120.191 7.995 8.468 1 U 1.150000E+08 0.000000E+00 a 0 0 439 456 363 119.055 8.011 7.640 1 U 1.536000E+07 0.000000E+00 a 0 0 439 402 365 118.351 8.004 8.005 1 U 7.106000E+08 0.000000E+00 a 0 438 439 439 366 117.824 8.000 8.544 1 U 1.388000E+08 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0.838 7.702 1 U 4.839000E+07 0.000000E+00 a 0 0 208 269 1817 129.830 0.810 8.372 1 U 7.691000E+07 0.000000E+00 a 0 1119 1104 1120 1818 125.759 0.815 8.041 1 U 2.470000E+07 0.000000E+00 a 0 1129 1104 1130 1819 120.320 0.816 9.015 3 U 1.094000E+07 0.000000E+00 a 0 741 783 742 #QU 0.992 #SUP 0.99 1820 119.987 0.810 8.288 1 U 1.305000E+08 0.000000E+00 a 0 0 783 778 1821 119.051 0.811 7.642 1 U 3.004000E+07 0.000000E+00 a 0 401 346 402 1822 118.901 0.803 7.781 1 U 5.476000E+07 0.000000E+00 a 0 0 149 165 1823 118.828 0.763 6.966 4 U 1.502000E+07 0.000000E+00 a 0 0 0 0 1824 118.617 0.815 8.141 1 U 8.682000E+07 0.000000E+00 a 0 336 346 337 1825 118.438 0.812 8.690 1 U 4.656000E+07 0.000000E+00 a 0 0 783 799 1826 118.350 0.799 8.336 1 U 1.036000E+08 0.000000E+00 a 0 0 149 144 1827 117.706 0.805 8.115 1 U 9.527000E+07 0.000000E+00 a 0 1098 1104 1099 1828 116.946 0.818 8.375 1 U 3.947000E+07 0.000000E+00 a 0 0 829 359 1829 116.659 0.793 9.364 3 U 2.409000E+07 0.000000E+00 a 0 87 149 88 #VC 0.33651 #QU 0.390 #SUP 0.67 87 1104 88 #VC 0.66349 #QU 0.465 #SUP 0.67 1831 118.717 0.782 7.743 1 U 7.156000E+07 0.000000E+00 a 0 1001 1016 1002 1832 118.400 0.769 8.545 1 U 6.188000E+07 0.000000E+00 a 0 0 1032 1045 1833 117.834 0.767 8.545 1 U 1.169000E+07 0.000000E+00 a 0 0 1032 1075 1834 117.444 0.774 7.993 1 U 1.575000E+07 0.000000E+00 a 0 1057 1032 1058 1835 111.508 0.772 7.357 4 U 1.516000E+07 0.000000E+00 a 0 0 0 0 1836 111.521 0.768 6.774 4 U 1.162000E+07 0.000000E+00 a 0 0 0 0 1837 123.353 0.740 8.380 3 U 1.671000E+07 0.000000E+00 a 0 18 1032 19 #QU 0.670 #SUP 0.67 1838 119.895 0.750 8.282 1 U 1.090000E+08 0.000000E+00 a 0 1022 1032 1023 1839 117.816 0.761 7.734 1 U 2.718000E+07 0.000000E+00 a 0 0 976 983 1840 108.802 0.758 8.088 1 U 3.010000E+07 0.000000E+00 a 0 1091 1113 1092 1841 129.832 0.722 8.372 1 U 4.540000E+07 0.000000E+00 a 0 1119 1113 1120 1842 125.787 0.723 8.041 1 U 9.663000E+06 0.000000E+00 a 0 1129 1113 1130 1843 122.829 0.721 8.413 1 U 1.629000E+07 0.000000E+00 a 0 908 976 909 1844 121.105 0.719 7.708 1 U 3.165000E+07 0.000000E+00 a 0 121 132 122 1845 120.476 0.724 7.898 1 U 2.728000E+07 0.000000E+00 a 0 0 976 922 1846 119.743 0.719 7.703 1 U 1.545000E+08 0.000000E+00 a 0 940 955 941 1847 119.291 0.719 7.800 3 U 1.322000E+07 0.000000E+00 a 0 164 132 165 #VC 0.60908 #QU 0.433 #SUP 0.61 164 158 165 #VC 0.39092 #QU 0.320 #SUP 0.61 1848 118.340 0.717 7.903 1 U 6.797000E+07 0.000000E+00 a 0 961 976 962 1849 117.703 0.720 8.116 1 U 3.901000E+07 0.000000E+00 a 0 1098 1113 1099 1853 108.655 0.722 8.195 1 U 3.008000E+07 0.000000E+00 a 0 901 955 902 1854 106.380 0.722 7.705 3 U 3.790000E+07 0.000000E+00 a 0 268 955 269 #QU 0.882 #SUP 0.88 1855 121.364 0.686 8.248 1 U 6.295000E+07 0.000000E+00 a 0 202 217 203 1856 121.496 0.654 7.255 1 U 1.059000E+07 0.000000E+00 a 0 0 792 763 1857 119.975 0.669 8.289 1 U 8.269000E+07 0.000000E+00 a 0 0 792 778 1858 119.064 0.652 7.643 3 U 9.649000E+06 0.000000E+00 a 0 401 792 402 #QU 0.996 #SUP 1.00 1859 118.873 0.657 7.739 3 U 1.263000E+07 0.000000E+00 a 0 383 792 384 #QU 0.985 #SUP 0.98 1860 118.423 0.652 8.689 1 U 1.594000E+07 0.000000E+00 a 0 0 792 799 1861 120.305 0.643 9.016 1 U 1.265000E+07 0.000000E+00 a 0 0 792 742 1862 111.541 0.013 6.760 4 U 3.353000E+05 0.000000E+00 a 0 0 0 0 1863 124.913 8.371 8.740 1 U 4.338000E+06 0.000000E+00 a 0 37 19 38 1864 124.913 9.128 8.742 1 U 3.005000E+06 0.000000E+00 a 0 37 63 38 1865 124.328 8.750 9.132 1 U 2.817000E+06 0.000000E+00 a 0 62 38 63 1866 120.291 8.178 9.018 1 U 1.070000E+08 0.000000E+00 a 0 741 752 742 1867 118.538 8.588 7.317 4 U 4.358000E+06 0.000000E+00 a 0 0 0 0 1868 118.538 6.811 7.315 4 U 6.004000E+06 0.000000E+00 a 0 0 0 0 1869 118.538 6.640 7.322 1 U 3.972000E+06 0.000000E+00 a 0 0 671 499 1870 123.376 8.096 8.376 4 U 7.152000E+06 0.000000E+00 a 0 0 0 0 1871 124.946 6.974 8.742 1 U 3.978000E+06 0.000000E+00 a 0 37 105 38 1872 124.365 8.360 9.129 3 U 2.192000E+06 0.000000E+00 a 0 62 1120 63 #QU 0.954 #SUP 0.95 1873 118.352 9.360 8.339 1 U 5.252000E+06 0.000000E+00 a 0 0 88 144 1874 120.158 8.069 8.065 1 U 3.019000E+08 0.000000E+00 a 0 177 178 178 1875 120.158 8.930 8.063 1 U 1.336000E+07 0.000000E+00 a 0 177 224 178 1877 120.680 7.785 8.937 1 U 5.102000E+06 0.000000E+00 a 0 223 259 224 1878 120.986 7.150 8.184 1 U 5.272000E+06 0.000000E+00 a 0 288 305 289 1879 118.575 8.524 8.144 4 U 7.078000E+06 0.000000E+00 a 0 0 0 0 1882 121.589 7.226 7.227 1 U 4.348000E+08 0.000000E+00 a 0 823 824 824 1883 120.705 6.806 8.441 3 U 6.470000E+06 0.000000E+00 a 0 654 702 655 #QU 0.596 #SUP 0.60 1887 106.404 5.971 5.979 1 U 1.796000E+08 0.000000E+00 a 0 268 270 270 1888 106.404 7.705 5.970 1 U 1.909000E+08 0.000000E+00 a 0 268 269 270 1889 106.404 8.178 5.970 3 U 9.664000E+06 0.000000E+00 a 0 268 902 270 #QU 0.835 #SUP 0.84 1890 106.404 4.481 5.979 1 U 6.916000E+06 0.000000E+00 a 0 268 261 270 1891 106.404 4.075 5.979 3 U 5.476000E+06 0.000000E+00 a 0 268 905 270 #QU 0.990 #SUP 0.99 1892 106.404 4.066 7.706 3 U 7.607000E+06 0.000000E+00 a 0 268 905 269 #QU 0.914 #SUP 0.91 1893 106.404 3.633 5.979 3 U 1.519000E+07 0.000000E+00 a 0 268 205 270 #VC 0.48988 #QU 0.645 #SUP 0.88 268 904 270 #VC 0.51012 #QU 0.673 #SUP 0.88 1894 106.404 1.483 7.706 1 U 5.055000E+06 0.000000E+00 a 0 0 215 269 1895 106.404 1.763 7.702 1 U 7.552000E+06 0.000000E+00 a 0 0 183 269 1896 106.404 1.993 7.702 3 U 7.441000E+06 0.000000E+00 a 0 268 319 269 #QU 0.247 #SUP 0.25 1897 106.404 0.724 5.975 3 U 2.839000E+07 0.000000E+00 a 0 268 955 270 #QU 0.977 #SUP 0.98 1898 106.404 0.869 5.966 3 U 3.291000E+07 0.000000E+00 a 0 268 829 270 #QU 0.577 #SUP 0.58 1899 106.404 1.482 5.979 3 U 2.960000E+06 0.000000E+00 a 0 268 215 270 #VC 0.27140 #QU 0.296 #SUP 0.84 268 952 270 #VC 0.72860 #QU 0.770 #SUP 0.84 1900 106.404 1.766 5.970 3 U 4.654000E+06 0.000000E+00 a 0 268 207 270 #QU 0.989 #SUP 0.99 1901 106.404 1.987 5.975 3 U 4.978000E+06 0.000000E+00 a 0 268 319 270 #QU 0.446 #SUP 0.45 1902 106.404 2.645 5.979 1 U 1.447000E+07 0.000000E+00 a 0 268 264 270 1903 106.404 2.857 5.975 3 U 1.697000E+07 0.000000E+00 a 0 268 892 270 #QU 0.998 #SUP 1.00 1904 106.404 3.044 5.975 1 U 1.765000E+07 0.000000E+00 a 0 268 263 270 1905 106.404 3.157 5.979 3 U 1.344000E+07 0.000000E+00 a 0 268 891 270 #QU 0.949 #SUP 0.95 1906 108.715 7.454 8.199 1 U 6.657000E+06 0.000000E+00 a 0 901 897 902 1907 108.715 7.163 8.199 3 U 9.185000E+06 0.000000E+00 a 0 901 284 902 #QU 0.980 #SUP 0.98 1908 108.715 6.793 8.197 1 U 3.201000E+06 0.000000E+00 a 0 901 898 902 1909 118.026 8.109 8.107 1 U 8.571000E+08 0.000000E+00 a 0 717 718 718 1910 121.050 8.739 7.707 1 U 6.587000E+06 0.000000E+00 a 0 121 38 122 1911 121.050 9.127 7.707 1 U 4.345000E+06 0.000000E+00 a 0 121 63 122 1914 112.943 8.948 7.563 1 U 2.344000E+06 0.000000E+00 a 0 543 549 544 1915 112.943 8.944 6.882 1 U 2.575000E+06 0.000000E+00 a 0 543 549 545 1916 112.943 4.631 7.562 1 U 1.962000E+07 0.000000E+00 a 0 543 536 544 1917 112.943 4.624 6.886 1 U 1.315000E+07 0.000000E+00 a 0 543 536 545 1918 112.943 0.859 7.559 3 U 3.384000E+06 0.000000E+00 a 0 543 508 544 #QU 0.901 #SUP 0.90 1919 112.943 0.853 6.885 3 U 3.713000E+06 0.000000E+00 a 0 543 508 545 #QU 0.874 #SUP 0.87 1921 111.870 4.383 7.314 4 U 5.401000E+06 0.000000E+00 a 0 0 0 0 1922 111.870 4.044 6.824 3 U 5.985000E+06 0.000000E+00 a 0 433 422 434 #VC 0.59130 #QU 0.986 #SUP 1.00 433 441 434 #VC 0.40870 #QU 0.672 #SUP 1.00 1923 111.870 4.385 6.829 3 U 2.422000E+06 0.000000E+00 a 0 433 361 434 #QU 0.661 #SUP 0.66 1924 111.870 4.162 7.314 3 U 4.941000E+06 0.000000E+00 a 0 433 376 435 #QU 0.993 #SUP 0.99 1925 111.870 2.789 7.311 4 U 6.627000E+06 0.000000E+00 a 0 0 0 0 1926 111.870 2.780 6.824 4 U 4.075000E+06 0.000000E+00 a 0 0 0 0 1927 111.870 1.746 6.827 4 U 4.311000E+06 0.000000E+00 a 0 0 0 0 1928 111.870 1.554 6.827 3 U 3.889000E+06 0.000000E+00 a 0 433 377 434 #QU 0.946 #SUP 0.95 1929 111.870 1.545 7.314 3 U 4.769000E+06 0.000000E+00 a 0 433 377 435 #QU 0.993 #SUP 0.99 1930 111.462 1.727 6.766 3 U 1.852000E+06 0.000000E+00 a 0 772 782 773 #QU 0.333 #SUP 0.33 1931 111.598 5.866 5.870 4 U 2.478000E+08 0.000000E+00 a 0 0 0 0 1932 111.598 6.764 5.870 4 U 2.361000E+08 0.000000E+00 a 0 0 0 0 1933 111.598 6.345 5.870 4 U 1.030000E+07 0.000000E+00 a 0 0 0 0 1935 111.598 4.412 5.870 4 U 7.056000E+06 0.000000E+00 a 0 0 0 0 1936 111.598 4.120 5.865 4 U 4.198000E+06 0.000000E+00 a 0 0 0 0 1937 111.598 3.947 5.867 4 U 1.063000E+07 0.000000E+00 a 0 0 0 0 1938 111.598 2.371 5.872 4 U 1.765000E+07 0.000000E+00 a 0 0 0 0 1939 111.598 2.544 5.870 4 U 2.143000E+07 0.000000E+00 a 0 0 0 0 1940 111.598 1.068 5.875 4 U 9.471000E+06 0.000000E+00 a 0 0 0 0 1941 111.598 0.948 5.872 4 U 3.918000E+06 0.000000E+00 a 0 0 0 0 1942 111.598 0.851 5.870 4 U 4.689000E+06 0.000000E+00 a 0 0 0 0 1943 106.331 8.525 7.705 3 U 3.459000E+06 0.000000E+00 a 0 268 274 269 #QU 0.991 #SUP 0.99 1944 106.331 1.024 7.699 3 U 7.691000E+06 0.000000E+00 a 0 268 325 269 #QU 0.782 #SUP 0.78 1945 106.331 1.031 5.972 3 U 5.141000E+06 0.000000E+00 a 0 268 325 270 #QU 0.916 #SUP 0.92 1946 115.268 4.125 7.966 1 U 3.654000E+07 0.000000E+00 a 0 474 458 475 1947 109.439 3.962 7.459 3 U 3.941000E+06 0.000000E+00 a 0 896 844 897 #QU 0.904 #SUP 0.90 1948 109.439 4.077 7.459 3 U 4.430000E+06 0.000000E+00 a 0 896 905 897 #QU 0.994 #SUP 0.99 1949 109.439 4.068 6.789 3 U 5.070000E+06 0.000000E+00 a 0 896 905 898 #QU 0.936 #SUP 0.94 1950 109.439 1.751 7.461 4 U 4.866000E+06 0.000000E+00 a 0 0 0 0 1951 109.439 1.986 7.461 3 U 4.489000E+06 0.000000E+00 a 0 896 319 897 #QU 0.977 #SUP 0.98 1952 109.439 2.229 7.465 3 U 4.530000E+06 0.000000E+00 a 0 896 828 897 #QU 0.892 #SUP 0.89 1953 109.439 1.756 6.787 4 U 5.165000E+06 0.000000E+00 a 0 0 0 0 1954 109.439 1.990 6.787 3 U 5.107000E+06 0.000000E+00 a 0 896 319 898 #QU 0.640 #SUP 0.64 1955 119.767 6.771 8.983 1 U 3.718000E+06 0.000000E+00 a 0 0 883 868 1956 119.767 7.812 8.983 1 U 6.819000E+06 0.000000E+00 a 0 0 813 868 1957 117.321 2.030 7.796 1 U 3.618000E+06 0.000000E+00 a 0 0 872 813 1959 117.321 2.384 7.801 4 U 6.879000E+06 0.000000E+00 a 0 0 0 0 1960 119.229 4.371 7.798 1 U 3.477000E+07 0.000000E+00 a 0 0 276 259 1961 120.533 5.973 8.522 1 U 4.069000E+06 0.000000E+00 a 0 0 270 274 1962 120.533 2.630 8.524 1 U 6.188000E+07 0.000000E+00 a 0 273 264 274 1963 120.533 3.028 8.523 1 U 1.009000E+08 0.000000E+00 a 0 273 263 274 1964 107.449 8.522 7.154 1 U 5.581000E+06 0.000000E+00 a 0 283 274 284 1965 107.449 8.186 7.156 3 U 6.533000E+06 0.000000E+00 a 0 283 902 284 #QU 0.964 #SUP 0.96 1966 107.449 7.911 7.149 3 U 2.353000E+06 0.000000E+00 a 0 283 922 284 #QU 0.839 #SUP 0.84 1967 107.449 8.518 5.685 1 U 2.489000E+06 0.000000E+00 a 0 283 274 285 1968 107.449 8.408 5.685 1 U 8.244000E+06 0.000000E+00 a 0 283 909 285 1969 107.449 8.189 5.690 3 U 2.975000E+06 0.000000E+00 a 0 283 289 285 #VC 0.50257 #QU 0.976 #SUP 1.00 283 902 285 #VC 0.49743 #QU 0.972 #SUP 1.00 1970 107.483 7.157 5.682 1 U 5.891000E+07 0.000000E+00 a 0 283 284 285 1971 107.483 5.694 5.691 1 U 6.542000E+07 0.000000E+00 a 0 283 285 285 1972 107.483 4.397 5.691 1 U 6.755000E+06 0.000000E+00 a 0 283 276 285 1973 107.483 3.960 7.154 3 U 7.416000E+06 0.000000E+00 a 0 283 844 284 #QU 0.986 #SUP 0.99 1974 107.483 3.827 7.154 3 U 7.610000E+06 0.000000E+00 a 0 283 226 284 #QU 0.993 #SUP 0.99 1975 107.483 3.664 7.154 3 U 4.713000E+06 0.000000E+00 a 0 283 904 284 #QU 0.996 #SUP 1.00 1976 107.483 4.088 5.688 3 U 4.482000E+06 0.000000E+00 a 0 283 870 285 #VC 0.33537 #QU 0.342 #SUP 0.99 283 905 285 #VC 0.66463 #QU 0.986 #SUP 0.99 1977 107.483 3.971 5.690 3 U 4.271000E+06 0.000000E+00 a 0 283 844 285 #QU 0.948 #SUP 0.95 1978 107.483 3.824 5.692 3 U 3.202000E+06 0.000000E+00 a 0 283 226 285 #QU 0.864 #SUP 0.86 1979 107.483 3.646 5.692 3 U 2.246000E+06 0.000000E+00 a 0 283 904 285 #QU 0.869 #SUP 0.87 1980 107.483 2.993 5.688 1 U 8.395000E+06 0.000000E+00 a 0 283 278 285 1981 107.483 2.691 5.690 1 U 9.449000E+06 0.000000E+00 a 0 283 279 285 1982 107.483 3.108 5.688 1 U 3.874000E+06 0.000000E+00 a 0 283 891 285 1983 107.483 3.106 7.156 3 U 5.270000E+06 0.000000E+00 a 0 283 855 284 #QU 0.730 #SUP 0.73 1984 107.483 1.510 7.156 3 U 5.965000E+06 0.000000E+00 a 0 283 215 284 #VC 0.29944 #QU 0.269 #SUP 0.74 283 850 284 #VC 0.70056 #QU 0.640 #SUP 0.74 1985 107.483 1.755 7.156 3 U 8.365000E+06 0.000000E+00 a 0 283 207 284 #QU 0.903 #SUP 0.90 1986 107.483 1.949 7.156 4 U 3.556000E+06 0.000000E+00 a 0 0 0 0 1987 107.483 1.649 7.154 3 U 3.232000E+06 0.000000E+00 a 0 283 847 284 #VC 0.80130 #QU 0.985 #SUP 0.99 283 851 284 #VC 0.19870 #QU 0.244 #SUP 0.99 1988 107.483 1.519 5.691 3 U 3.789000E+06 0.000000E+00 a 0 283 850 285 #QU 0.979 #SUP 0.98 1989 107.483 1.755 5.691 3 U 4.889000E+06 0.000000E+00 a 0 283 207 285 #QU 0.614 #SUP 0.61 1990 107.483 0.841 5.688 3 U 1.865000E+07 0.000000E+00 a 0 283 208 285 #VC 0.35427 #QU 0.547 #SUP 0.99 283 829 285 #VC 0.64573 #QU 0.971 #SUP 0.99 1991 108.163 3.643 6.780 4 U 6.635000E+06 0.000000E+00 a 0 0 0 0 1993 108.163 1.436 6.778 4 U 5.997000E+06 0.000000E+00 a 0 0 0 0 1994 116.958 2.360 8.378 4 U 6.132000E+06 0.000000E+00 a 0 0 0 0 1995 112.134 7.906 7.616 1 U 6.900000E+06 0.000000E+00 a 0 368 374 369 1996 112.134 7.894 6.745 4 U 5.403000E+06 0.000000E+00 a 0 0 0 0 1997 122.159 7.610 7.903 1 U 2.753000E+07 0.000000E+00 a 0 373 402 374 1998 111.998 2.419 7.612 3 U 5.917000E+06 0.000000E+00 a 0 368 425 369 #QU 0.753 #SUP 0.75 1999 111.998 2.132 7.612 3 U 2.718000E+06 0.000000E+00 a 0 368 424 369 #QU 0.925 #SUP 0.93 2000 111.998 1.887 7.610 3 U 2.750000E+06 0.000000E+00 a 0 368 294 369 #QU 0.947 #SUP 0.95 2001 111.998 1.768 7.616 4 U 3.156000E+06 0.000000E+00 a 0 0 0 0 2002 111.998 1.746 6.743 3 U 4.768000E+06 0.000000E+00 a 0 368 503 370 #QU 0.235 #SUP 0.23 2003 111.998 2.134 6.739 3 U 3.091000E+06 0.000000E+00 a 0 368 424 370 #QU 0.879 #SUP 0.88 2004 116.876 7.315 8.233 1 U 7.092000E+06 0.000000E+00 a 0 419 435 420 2005 116.876 7.089 8.231 3 U 6.194000E+06 0.000000E+00 a 0 680 482 681 #QU 0.442 #SUP 0.44 2006 124.076 3.869 8.594 3 U 6.501000E+06 0.000000E+00 a 0 533 554 534 #QU 0.898 #SUP 0.90 2007 124.028 4.027 8.592 3 U 7.189000E+06 0.000000E+00 a 0 533 553 534 #QU 0.998 #SUP 1.00 2008 124.076 1.669 8.590 1 U 4.385000E+06 0.000000E+00 a 0 533 504 534 2009 124.076 1.751 8.594 1 U 4.753000E+06 0.000000E+00 a 0 533 564 582 2010 124.076 1.305 8.594 1 U 2.185000E+06 0.000000E+00 a 0 533 565 582 2011 124.076 0.861 8.592 3 U 7.239000E+06 0.000000E+00 a 0 533 508 534 #QU 0.890 #SUP 0.89 2013 111.523 7.254 5.866 4 U 1.396000E+07 0.000000E+00 a 0 0 0 0 2014 111.034 8.985 7.295 1 U 6.146000E+06 0.000000E+00 a 0 0 868 882 2015 111.034 5.869 5.872 4 U 4.650000E+07 0.000000E+00 a 0 0 0 0 2016 111.034 6.770 5.874 4 U 4.191000E+07 0.000000E+00 a 0 0 0 0 2017 121.308 1.633 8.248 3 U 2.550000E+07 0.000000E+00 a 0 202 236 203 #QU 0.507 #SUP 0.51 2018 121.308 2.630 8.250 1 U 5.789000E+06 0.000000E+00 a 0 0 169 203 2019 121.308 2.770 8.250 1 U 3.499000E+06 0.000000E+00 a 0 0 170 203 2020 121.308 3.026 8.250 1 U 3.579000E+06 0.000000E+00 a 0 0 263 203 2021 120.680 0.692 8.939 1 U 5.564000E+06 0.000000E+00 a 0 223 976 224 2022 120.680 1.363 8.939 1 U 8.642000E+06 0.000000E+00 a 0 223 232 224 2023 120.680 1.472 8.939 1 U 6.205000E+06 0.000000E+00 a 0 223 233 224 2024 120.680 3.606 8.937 1 U 5.105000E+06 0.000000E+00 a 0 223 205 224 2025 120.680 3.337 8.937 1 U 3.315000E+06 0.000000E+00 a 0 223 146 224 2026 120.680 4.353 8.939 1 U 7.785000E+06 0.000000E+00 a 0 223 167 224 2027 122.020 0.701 8.145 3 U 7.395000E+06 0.000000E+00 a 0 248 217 249 #QU 0.373 #SUP 0.37 2028 123.346 0.498 8.381 4 U 1.604000E+06 0.000000E+00 a 0 0 0 0 2029 123.414 1.265 8.379 3 U 9.445000E+06 0.000000E+00 a 0 18 1123 19 #QU 0.985 #SUP 0.99 2030 123.414 1.408 8.380 4 U 3.595000E+06 0.000000E+00 a 0 0 0 0 2031 123.414 1.641 8.381 4 U 6.298000E+06 0.000000E+00 a 0 0 0 0 2032 123.414 3.854 8.381 4 U 6.642000E+06 0.000000E+00 a 0 0 0 0 2034 124.955 0.771 8.736 1 U 3.179000E+06 0.000000E+00 a 0 37 1104 38 2035 124.955 1.277 8.737 3 U 2.819000E+06 0.000000E+00 a 0 37 1123 38 #QU 0.881 #SUP 0.88 2036 124.955 2.959 8.740 1 U 1.879000E+06 0.000000E+00 a 0 37 54 38 2037 124.370 0.722 9.133 1 U 3.652000E+06 0.000000E+00 a 0 62 1113 63 2038 124.370 0.813 9.133 1 U 5.937000E+06 0.000000E+00 a 0 62 1104 63 2039 124.370 1.293 9.135 1 U 4.775000E+06 0.000000E+00 a 0 62 72 63 2040 124.370 1.419 9.131 1 U 7.339000E+06 0.000000E+00 a 0 62 71 63 2041 118.829 2.629 6.968 1 U 5.586000E+06 0.000000E+00 a 0 0 169 105 2042 118.829 2.783 6.970 4 U 7.235000E+06 0.000000E+00 a 0 0 0 0 2043 118.829 2.950 6.970 3 U 3.673000E+06 0.000000E+00 a 0 104 54 105 #QU 0.427 #SUP 0.43 2044 118.829 8.064 6.970 1 U 2.895000E+06 0.000000E+00 a 0 104 178 105 2045 121.079 4.373 7.712 3 U 4.247000E+06 0.000000E+00 a 0 121 21 122 #QU 0.891 #SUP 0.89 2046 121.079 4.533 7.712 1 U 3.395000E+06 0.000000E+00 a 0 121 40 122 2047 121.079 3.337 7.709 1 U 4.873000E+06 0.000000E+00 a 0 121 146 122 2048 121.079 2.780 7.714 3 U 3.825000E+06 0.000000E+00 a 0 121 170 122 #QU 0.516 #SUP 0.52 2049 118.343 4.122 8.336 1 U 7.321000E+06 0.000000E+00 a 0 0 107 144 2050 118.343 4.358 8.336 1 U 6.867000E+06 0.000000E+00 a 0 0 167 144 2051 118.343 2.628 8.336 1 U 6.156000E+06 0.000000E+00 a 0 0 169 144 2052 118.343 1.355 8.338 1 U 8.390000E+06 0.000000E+00 a 0 0 71 144 2053 118.343 0.697 8.336 1 U 3.317000E+07 0.000000E+00 a 0 0 158 144 2054 120.210 0.712 8.060 3 U 7.945000E+06 0.000000E+00 a 0 177 132 178 #QU 0.415 #SUP 0.42 2055 120.210 1.645 8.064 3 U 1.297000E+07 0.000000E+00 a 0 177 236 178 #VC 0.77703 #QU 0.823 #SUP 0.86 886 847 887 #VC 0.22297 #QU 0.209 #SUP 0.86 2056 120.680 2.680 8.932 1 U 2.061000E+06 0.000000E+00 a 0 0 264 224 2057 120.983 5.680 8.185 1 U 2.618000E+06 0.000000E+00 a 0 0 285 289 2058 121.611 1.311 7.668 1 U 5.988000E+06 0.000000E+00 a 0 314 323 315 2059 118.628 2.331 8.143 4 U 5.273000E+06 0.000000E+00 a 0 0 0 0 2060 118.602 2.770 8.144 1 U 1.032000E+07 0.000000E+00 a 0 0 363 337 2061 118.628 3.022 8.145 4 U 4.583000E+06 0.000000E+00 a 0 0 0 0 2062 118.602 2.650 8.141 4 U 5.643000E+06 0.000000E+00 a 0 0 0 0 2063 119.052 1.325 7.645 3 U 6.604000E+06 0.000000E+00 a 0 401 745 402 #VC 0.43411 #QU 0.580 #SUP 0.88 401 790 402 #VC 0.56589 #QU 0.720 #SUP 0.88 2065 119.052 2.778 7.639 4 U 6.380000E+06 0.000000E+00 a 0 0 0 0 2067 116.887 6.810 8.230 1 U 6.281000E+06 0.000000E+00 a 0 419 434 420 2068 118.349 2.445 8.008 1 U 1.184000E+08 0.000000E+00 a 0 438 448 439 2069 120.223 2.901 8.472 1 U 5.551000E+06 0.000000E+00 a 0 0 480 456 2070 120.223 3.042 8.474 1 U 4.440000E+06 0.000000E+00 a 0 0 479 456 2071 120.223 2.777 8.470 1 U 3.313000E+06 0.000000E+00 a 0 0 668 655 2072 115.351 6.798 7.974 3 U 9.479000E+06 0.000000E+00 a 0 474 434 475 #QU 0.247 #SUP 0.25 2073 118.547 2.047 7.325 1 U 4.989000E+06 0.000000E+00 a 0 0 460 499 2074 118.547 2.616 7.325 3 U 4.916000E+06 0.000000E+00 a 0 498 302 499 #QU 0.748 #SUP 0.75 2075 118.547 1.514 7.323 1 U 9.362000E+06 0.000000E+00 a 0 498 507 499 2076 120.742 4.031 7.289 3 U 3.382000E+07 0.000000E+00 a 0 520 441 521 #VC 0.48647 #QU 0.783 #SUP 0.99 520 477 521 #VC 0.51353 #QU 0.957 #SUP 0.99 2078 121.966 3.696 7.084 4 U 3.385000E+06 0.000000E+00 a 0 0 0 0 2080 123.574 1.622 8.598 1 U 2.328000E+07 0.000000E+00 a 0 581 568 582 2081 123.852 6.645 8.366 4 U 4.871000E+06 0.000000E+00 a 0 0 0 0 2082 123.852 6.780 8.364 4 U 6.948000E+06 0.000000E+00 a 0 0 0 0 2083 119.577 4.497 8.158 1 U 5.090000E+06 0.000000E+00 a 0 0 584 616 2084 119.577 2.702 8.158 1 U 5.435000E+06 0.000000E+00 a 0 0 587 616 2085 119.577 2.815 8.157 1 U 4.212000E+06 0.000000E+00 a 0 0 586 616 2086 119.577 1.214 8.159 1 U 4.398000E+06 0.000000E+00 a 0 615 600 616 2090 118.114 2.104 7.734 3 U 8.480000E+07 0.000000E+00 a 0 982 987 983 #QU 0.892 #SUP 0.89 2091 118.114 0.875 7.730 3 U 4.192000E+07 0.000000E+00 a 0 982 967 983 #QU 0.784 #SUP 0.78 2092 118.090 0.746 7.733 3 U 1.136000E+07 0.000000E+00 a 0 982 976 983 #QU 0.437 #SUP 0.44 2093 121.600 6.824 7.739 3 U 4.318000E+06 0.000000E+00 a 0 693 702 694 #QU 0.825 #SUP 0.83 2095 118.028 4.629 8.117 3 U 4.402000E+06 0.000000E+00 a 0 1098 1101 1099 #QU 0.829 #SUP 0.83 2096 114.812 2.364 8.177 1 U 6.515000E+06 0.000000E+00 a 0 0 767 752 2097 114.812 1.758 8.172 4 U 5.815000E+06 0.000000E+00 a 0 0 0 0 2098 114.812 0.653 8.179 1 U 3.586000E+06 0.000000E+00 a 0 751 792 752 2099 114.812 0.826 8.174 3 U 7.575000E+06 0.000000E+00 a 0 751 783 752 #QU 0.910 #SUP 0.91 2100 118.413 2.163 8.691 1 U 5.444000E+06 0.000000E+00 a 0 0 846 799 2101 118.413 2.371 8.689 1 U 4.406000E+06 0.000000E+00 a 0 0 767 799 2102 118.413 2.541 8.690 1 U 3.488000E+06 0.000000E+00 a 0 0 768 799 2103 121.551 3.152 7.232 3 U 2.803000E+06 0.000000E+00 a 0 823 891 824 #QU 0.734 #SUP 0.73 2104 121.551 2.001 7.236 1 U 6.888000E+06 0.000000E+00 a 0 0 872 824 2105 121.551 1.709 7.234 3 U 1.265000E+07 0.000000E+00 a 0 823 782 824 #QU 0.807 #SUP 0.81 2106 121.551 1.500 7.233 3 U 4.462000E+06 0.000000E+00 a 0 823 850 824 #QU 0.408 #SUP 0.41 2107 124.434 4.217 8.067 1 U 6.906000E+06 0.000000E+00 a 0 841 815 842 2108 124.434 4.385 8.069 3 U 6.893000E+06 0.000000E+00 a 0 841 276 842 #QU 0.383 #SUP 0.38 2109 124.434 8.702 8.074 1 U 4.056000E+06 0.000000E+00 a 0 841 799 842 2110 124.434 3.048 8.072 1 U 5.977000E+06 0.000000E+00 a 0 841 854 842 2111 124.434 3.119 8.074 1 U 6.872000E+06 0.000000E+00 a 0 841 855 842 2112 124.434 1.302 8.068 3 U 4.848000E+06 0.000000E+00 a 0 841 790 842 #QU 0.612 #SUP 0.61 2113 124.434 1.753 8.071 3 U 2.793000E+07 0.000000E+00 a 0 841 782 842 #QU 0.669 #SUP 0.67 2114 119.909 8.399 8.984 1 U 7.741000E+06 0.000000E+00 a 0 0 909 868 2115 119.909 7.935 8.983 4 U 4.654000E+06 0.000000E+00 a 0 0 0 0 2116 120.460 5.675 7.897 4 U 4.047000E+06 0.000000E+00 a 0 0 0 0 2117 120.460 3.482 7.895 1 U 7.100000E+06 0.000000E+00 a 0 0 943 922 2118 120.460 3.662 7.895 1 U 7.785000E+06 0.000000E+00 a 0 0 904 922 2119 120.460 3.152 7.897 1 U 4.264000E+06 0.000000E+00 a 0 0 891 922 2121 119.798 3.362 7.701 1 U 6.715000E+06 0.000000E+00 a 0 0 964 941 2122 119.798 2.863 7.703 1 U 6.481000E+06 0.000000E+00 a 0 0 931 941 2123 119.798 1.501 7.706 1 U 3.869000E+06 0.000000E+00 a 0 940 952 941 2124 119.798 1.574 7.705 1 U 3.434000E+06 0.000000E+00 a 0 940 953 941 2125 119.798 0.852 7.703 1 U 2.791000E+07 0.000000E+00 a 0 940 946 941 2126 119.798 1.832 7.703 1 U 1.442000E+07 0.000000E+00 a 0 0 1006 941 2131 118.355 3.667 7.900 1 U 4.693000E+06 0.000000E+00 a 0 0 904 962 2132 117.797 3.824 7.736 1 U 2.541000E+07 0.000000E+00 a 0 0 1004 983 2133 117.797 7.732 7.733 1 U 7.690000E+08 0.000000E+00 a 0 982 983 983 2134 117.797 2.648 7.736 1 U 1.606000E+07 0.000000E+00 a 0 0 1049 983 2135 117.797 1.741 7.736 3 U 4.641000E+07 0.000000E+00 a 0 640 620 641 #QU 0.425 #SUP 0.43 2137 118.695 2.311 7.743 1 U 4.978000E+07 0.000000E+00 a 0 0 991 1002 2138 118.695 1.553 7.741 3 U 3.352000E+07 0.000000E+00 a 0 383 377 384 #QU 0.856 #SUP 0.86 2139 118.695 1.080 7.742 1 U 8.248000E+07 0.000000E+00 a 0 1001 1013 1002 2140 118.695 0.905 7.746 1 U 7.112000E+07 0.000000E+00 a 0 1001 1007 1002 2141 119.907 3.775 8.284 3 U 2.780000E+07 0.000000E+00 a 0 777 801 778 #VC 0.50425 #QU 0.878 #SUP 0.99 1022 1004 1023 #VC 0.49575 #QU 0.914 #SUP 0.99 2142 118.420 3.779 8.543 1 U 1.292000E+07 0.000000E+00 a 0 0 1004 1045 2143 117.490 3.909 7.994 1 U 1.136000E+07 0.000000E+00 a 0 0 1025 1058 2144 117.490 1.985 7.997 1 U 1.022000E+08 0.000000E+00 a 0 1057 1063 1058 2145 117.711 6.994 8.115 3 U 7.565000E+06 0.000000E+00 a 0 717 701 718 #QU 0.648 #SUP 0.65 2147 117.711 4.626 8.117 1 U 5.063000E+07 0.000000E+00 a 0 0 1101 1099 2148 123.592 8.188 8.596 1 U 6.960000E+06 0.000000E+00 a 0 581 616 582 2150 121.365 7.718 8.247 3 U 1.101000E+07 0.000000E+00 a 0 202 269 203 #QU 0.917 #SUP 0.92 2151 120.670 4.018 8.934 1 U 2.929000E+06 0.000000E+00 a 0 223 180 224 2152 116.630 2.354 9.366 1 U 4.606000E+07 0.000000E+00 a 0 0 96 88 2153 129.901 2.975 8.372 3 U 1.983000E+06 0.000000E+00 a 0 1119 54 1120 #QU 0.681 #SUP 0.68 2154 129.901 2.484 8.370 4 U 5.762000E+06 0.000000E+00 a 0 0 0 0 2156 129.901 2.107 8.372 3 U 6.481000E+06 0.000000E+00 a 0 1119 43 1120 #QU 0.686 #SUP 0.69 2157 129.901 2.221 8.370 3 U 3.360000E+06 0.000000E+00 a 0 1119 1138 1120 #QU 0.841 #SUP 0.84 2158 129.901 4.527 8.372 1 U 8.216000E+07 0.000000E+00 a 0 1119 40 1120 2159 124.945 9.362 8.736 1 U 2.063000E+06 0.000000E+00 a 0 37 88 38 2160 124.945 7.701 8.740 1 U 1.593000E+06 0.000000E+00 a 0 37 122 38 2161 120.610 7.082 8.440 3 U 3.930000E+06 0.000000E+00 a 0 654 482 655 #QU 0.426 #SUP 0.43 2162 120.610 6.977 8.441 3 U 3.760000E+06 0.000000E+00 a 0 654 701 655 #QU 0.796 #SUP 0.80 2163 120.610 7.013 8.441 3 U 4.805000E+06 0.000000E+00 a 0 654 701 655 #QU 0.824 #SUP 0.82 2164 120.610 3.633 8.441 1 U 3.885000E+07 0.000000E+00 a 0 0 597 655 2165 120.610 2.629 8.438 3 U 1.746000E+07 0.000000E+00 a 0 654 686 655 #QU 0.963 #SUP 0.96 2166 120.610 2.411 8.437 3 U 3.380000E+06 0.000000E+00 a 0 654 464 655 #QU 0.581 #SUP 0.58 2167 121.316 3.977 8.249 1 U 1.302000E+07 0.000000E+00 a 0 0 124 203 2168 121.440 4.346 8.246 1 U 7.237000E+06 0.000000E+00 a 0 0 167 203 2169 121.561 2.731 7.738 1 U 6.000000E+07 0.000000E+00 a 0 693 685 694 2170 121.752 3.958 7.232 1 U 2.810000E+07 0.000000E+00 a 0 823 817 824 2171 120.755 1.318 7.288 1 U 7.780000E+06 0.000000E+00 a 0 0 663 521 2172 120.755 1.669 7.288 1 U 3.987000E+07 0.000000E+00 a 0 520 504 521 2173 120.755 2.032 7.288 1 U 3.688000E+06 0.000000E+00 a 0 0 460 521 2174 120.257 6.816 9.017 4 U 4.768000E+06 0.000000E+00 a 0 0 0 0 2175 120.257 6.627 9.017 1 U 6.787000E+06 0.000000E+00 a 0 741 483 742 2176 120.257 6.351 9.017 4 U 5.739000E+06 0.000000E+00 a 0 0 0 0 2177 120.257 3.950 9.018 1 U 6.015000E+07 0.000000E+00 a 0 741 720 742 2178 120.257 3.021 9.017 3 U 6.708000E+06 0.000000E+00 a 0 741 699 742 #QU 0.991 #SUP 0.99 2179 120.257 4.354 8.064 1 U 6.580000E+06 0.000000E+00 a 0 177 167 178 2180 119.946 5.970 8.092 3 U 8.236000E+06 0.000000E+00 a 0 886 270 887 #QU 0.953 #SUP 0.95 2181 118.825 4.500 6.650 4 U 6.059000E+06 0.000000E+00 a 0 0 0 0 #QU 0.085 2182 118.825 4.625 6.649 1 U 6.248000E+06 0.000000E+00 a 0 0 536 671 2183 118.077 4.101 8.114 1 U 5.490000E+07 0.000000E+00 a 0 717 696 718 2184 117.330 5.202 7.801 4 U 5.197000E+06 0.000000E+00 a 0 0 0 0 2185 116.458 3.320 8.935 1 U 1.173000E+07 0.000000E+00 a 0 0 525 549 2186 108.572 1.753 8.197 3 U 4.593000E+06 0.000000E+00 a 0 901 207 902 #QU 0.682 #SUP 0.68 2187 108.572 1.505 8.195 1 U 1.919000E+06 0.000000E+00 a 0 0 952 902 2188 108.572 1.030 8.197 1 U 3.147000E+06 0.000000E+00 a 0 0 830 902 2189 108.769 2.644 8.088 1 U 4.794000E+06 0.000000E+00 a 0 1091 1049 1092 2190 108.769 1.400 8.092 1 U 4.553000E+06 0.000000E+00 a 0 1091 1111 1092 2191 108.769 1.145 8.088 1 U 7.087000E+06 0.000000E+00 a 0 1091 1027 1092 2192 114.810 8.694 8.176 1 U 7.065000E+06 0.000000E+00 a 0 751 799 752 2193 124.339 6.956 9.132 1 U 2.002000E+06 0.000000E+00 a 0 62 105 63 2195 123.592 4.029 8.595 4 U 1.709000E+07 0.000000E+00 a 0 0 0 0 2196 123.592 3.662 8.595 1 U 5.998000E+06 0.000000E+00 a 0 581 597 582 2197 122.782 1.752 8.412 3 U 6.789000E+06 0.000000E+00 a 0 908 207 909 #QU 0.842 #SUP 0.84 2198 122.782 1.515 8.409 1 U 2.869000E+06 0.000000E+00 a 0 908 850 909 2199 122.159 6.753 7.903 4 U 4.534000E+06 0.000000E+00 a 0 0 0 0 2200 122.035 4.041 8.146 1 U 1.071000E+08 0.000000E+00 a 0 248 251 249 2201 122.035 2.767 8.144 3 U 7.375000E+06 0.000000E+00 a 0 248 170 249 #QU 0.441 #SUP 0.44 2202 120.159 4.062 8.065 1 U 3.036000E+07 0.000000E+00 a 0 0 180 178 2203 120.159 2.230 8.066 1 U 2.292000E+07 0.000000E+00 a 0 0 110 178 2204 120.968 3.984 8.184 3 U 4.121000E+07 0.000000E+00 a 0 288 251 289 #QU 0.839 #SUP 0.84 2205 118.602 3.637 8.143 4 U 2.105000E+06 0.000000E+00 a 0 0 0 0 2206 118.602 1.898 8.141 1 U 6.539000E+07 0.000000E+00 a 0 0 341 337 2207 118.602 0.877 8.142 1 U 7.114000E+07 0.000000E+00 a 0 0 324 337 2208 118.353 4.370 8.005 3 U 4.342000E+06 0.000000E+00 a 0 438 361 439 #QU 0.955 #SUP 0.96 2209 117.481 1.151 7.994 1 U 7.137000E+06 0.000000E+00 a 0 0 1027 1058 2210 116.772 9.018 8.208 3 U 5.889000E+06 0.000000E+00 a 0 680 742 681 #QU 0.995 #SUP 1.00 2211 118.828 0.831 6.968 3 U 1.458000E+07 0.000000E+00 a 0 104 131 105 #VC 0.16752 #QU 0.238 #SUP 0.72 104 149 105 #VC 0.40653 #QU 0.506 #SUP 0.72 104 1104 105 #VC 0.42595 #QU 0.247 #SUP 0.72 2212 108.581 2.579 8.195 1 U 4.023000E+06 0.000000E+00 a 0 0 914 902 ; 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' 12 ppm . . . 4.7 . . 34864 1 2 . . N 15 N . 'not observed' 35 ppm . . . 60 . . 34864 1 3 . . H 1 HN . 'not observed' 12 ppm . . . 4.7 . . 34864 1 stop_ save_