data_30390 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30390 _Entry.Title ; Solution structure of KTI55 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-24 _Entry.Accession_date 2017-12-24 _Entry.Last_release_date 2018-02-05 _Entry.Original_release_date 2018-02-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30390 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 F. Castellino F. J. . . 30390 2 C. Qiu C. . . . 30390 3 Y. Yuan Y. . . . 30390 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 30390 'Plasminogen binding peptide' . 30390 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30390 spectral_peak_list 1 30390 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 30390 '15N chemical shifts' 55 30390 '1H chemical shifts' 354 30390 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-01-11 . original BMRB . 30390 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BZK . 30390 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30390 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of PAM ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Castellino F. J. . . 30390 1 2 Y. Yuan Y. . . . 30390 1 3 C. Qiu C. . . . 30390 1 4 Y. Yuan Y. . . . 30390 1 5 F. Castellino F. J. . . 30390 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 30390 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of truncated PAM ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Castellino F. J. . . 30390 2 2 Y. Yuan Y. . . . 30390 2 3 C. Qiu C. . . . 30390 2 4 Y. Yuan Y. . . . 30390 2 5 F. Castellino F. J. . . 30390 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30390 _Assembly.ID 1 _Assembly.Name 'M 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 entity_1 1 $entity_1 A A yes . . . . . . 30390 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30390 _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 ; GSKTIQEKEQELKNLKDNVE LERLKNERHDHDEEAERKAL EDKLADKQEHLDGALRY ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 44-98' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6799.461 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID KTI55 na 30390 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30390 1 2 . SER . 30390 1 3 . LYS . 30390 1 4 . THR . 30390 1 5 . ILE . 30390 1 6 . GLN . 30390 1 7 . GLU . 30390 1 8 . LYS . 30390 1 9 . GLU . 30390 1 10 . GLN . 30390 1 11 . GLU . 30390 1 12 . LEU . 30390 1 13 . LYS . 30390 1 14 . ASN . 30390 1 15 . LEU . 30390 1 16 . LYS . 30390 1 17 . ASP . 30390 1 18 . ASN . 30390 1 19 . VAL . 30390 1 20 . GLU . 30390 1 21 . LEU . 30390 1 22 . GLU . 30390 1 23 . ARG . 30390 1 24 . LEU . 30390 1 25 . LYS . 30390 1 26 . ASN . 30390 1 27 . GLU . 30390 1 28 . ARG . 30390 1 29 . HIS . 30390 1 30 . ASP . 30390 1 31 . HIS . 30390 1 32 . ASP . 30390 1 33 . GLU . 30390 1 34 . GLU . 30390 1 35 . ALA . 30390 1 36 . GLU . 30390 1 37 . ARG . 30390 1 38 . LYS . 30390 1 39 . ALA . 30390 1 40 . LEU . 30390 1 41 . GLU . 30390 1 42 . ASP . 30390 1 43 . LYS . 30390 1 44 . LEU . 30390 1 45 . ALA . 30390 1 46 . ASP . 30390 1 47 . LYS . 30390 1 48 . GLN . 30390 1 49 . GLU . 30390 1 50 . HIS . 30390 1 51 . LEU . 30390 1 52 . ASP . 30390 1 53 . GLY . 30390 1 54 . ALA . 30390 1 55 . LEU . 30390 1 56 . ARG . 30390 1 57 . TYR . 30390 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 30390 1 . SER 2 2 30390 1 . LYS 3 3 30390 1 . THR 4 4 30390 1 . ILE 5 5 30390 1 . GLN 6 6 30390 1 . GLU 7 7 30390 1 . LYS 8 8 30390 1 . GLU 9 9 30390 1 . GLN 10 10 30390 1 . GLU 11 11 30390 1 . LEU 12 12 30390 1 . LYS 13 13 30390 1 . ASN 14 14 30390 1 . LEU 15 15 30390 1 . LYS 16 16 30390 1 . ASP 17 17 30390 1 . ASN 18 18 30390 1 . VAL 19 19 30390 1 . GLU 20 20 30390 1 . LEU 21 21 30390 1 . GLU 22 22 30390 1 . ARG 23 23 30390 1 . LEU 24 24 30390 1 . LYS 25 25 30390 1 . ASN 26 26 30390 1 . GLU 27 27 30390 1 . ARG 28 28 30390 1 . HIS 29 29 30390 1 . ASP 30 30 30390 1 . HIS 31 31 30390 1 . ASP 32 32 30390 1 . GLU 33 33 30390 1 . GLU 34 34 30390 1 . ALA 35 35 30390 1 . GLU 36 36 30390 1 . ARG 37 37 30390 1 . LYS 38 38 30390 1 . ALA 39 39 30390 1 . LEU 40 40 30390 1 . GLU 41 41 30390 1 . ASP 42 42 30390 1 . LYS 43 43 30390 1 . LEU 44 44 30390 1 . ALA 45 45 30390 1 . ASP 46 46 30390 1 . LYS 47 47 30390 1 . GLN 48 48 30390 1 . GLU 49 49 30390 1 . HIS 50 50 30390 1 . LEU 51 51 30390 1 . ASP 52 52 30390 1 . GLY 53 53 30390 1 . ALA 54 54 30390 1 . LEU 55 55 30390 1 . ARG 56 56 30390 1 . TYR 57 57 30390 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 30390 _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 . 1314 organism . 'Streptococcus pyogenes' 'Streptococcus pyogenes' . . Bacteria . Streptococcus pyogenes SS1448 . . . . . . . . . . emm . 30390 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 30390 _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 DH5[alpha]' . . 668369 . . . . . plasmid . . pET15b . . . 30390 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30390 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM [U-99% 2H] BisTris-d19, 1 mM DSS, 1 mM sodium azide, 1 mM EDTA, 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 BisTris-d19 '[U-99% 2H]' . . 1 $entity_1 . . 20 . . mM . . . . 30390 1 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 30390 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 30390 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 30390 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 30390 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30390 1 pH 6.7 . pH 30390 1 pressure 1 . atm 30390 1 temperature 298 . K 30390 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30390 _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' . . 30390 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30390 1 'data analysis' 30390 1 processing 30390 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30390 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30390 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30390 2 'peak picking' 30390 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30390 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30390 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30390 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 30390 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30390 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 800 . . . 30390 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 30390 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 1 9 '3D NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30390 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 30390 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30390 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30390 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30390 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 30390 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30390 1 2 '3D HNCO' . . . 30390 1 3 '3D HNCA' . . . 30390 1 4 '3D HNCACB' . . . 30390 1 5 '3D CBCA(CO)NH' . . . 30390 1 6 '3D C(CO)NH' . . . 30390 1 7 '3D H(CCO)NH' . . . 30390 1 8 '3D HBHA(CO)NH' . . . 30390 1 9 '3D NOESY-HSQC' . . . 30390 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4.503 0.02 1.000 1 . . . . A 2 SER HA . 30390 1 2 . 1 1 2 2 SER HB2 H 1 3.857 0.02 0.773 2 . . . . A 2 SER HB2 . 30390 1 3 . 1 1 2 2 SER HB3 H 1 3.857 0.02 0.816 2 . . . . A 2 SER HB3 . 30390 1 4 . 1 1 2 2 SER C C 13 174.477 0.20 1.000 1 . . . . A 2 SER C . 30390 1 5 . 1 1 2 2 SER CA C 13 58.420 0.20 1.000 1 . . . . A 2 SER CA . 30390 1 6 . 1 1 2 2 SER CB C 13 64.020 0.20 0.860 1 . . . . A 2 SER CB . 30390 1 7 . 1 1 3 3 LYS H H 1 8.533 0.02 1.000 1 . . . . A 3 LYS H . 30390 1 8 . 1 1 3 3 LYS HA H 1 4.457 0.02 1.000 1 . . . . A 3 LYS HA . 30390 1 9 . 1 1 3 3 LYS HB2 H 1 1.838 0.02 0.460 2 . . . . A 3 LYS HB2 . 30390 1 10 . 1 1 3 3 LYS HB3 H 1 1.758 0.02 0.481 2 . . . . A 3 LYS HB3 . 30390 1 11 . 1 1 3 3 LYS HG2 H 1 1.451 0.02 0.401 2 . . . . A 3 LYS HG2 . 30390 1 12 . 1 1 3 3 LYS HG3 H 1 1.451 0.02 0.534 2 . . . . A 3 LYS HG3 . 30390 1 13 . 1 1 3 3 LYS C C 13 176.967 0.20 1.000 1 . . . . A 3 LYS C . 30390 1 14 . 1 1 3 3 LYS CA C 13 56.570 0.20 1.000 1 . . . . A 3 LYS CA . 30390 1 15 . 1 1 3 3 LYS CB C 13 33.530 0.20 1.000 1 . . . . A 3 LYS CB . 30390 1 16 . 1 1 3 3 LYS CG C 13 24.940 0.20 1.000 1 . . . . A 3 LYS CG . 30390 1 17 . 1 1 3 3 LYS CD C 13 29.180 0.20 1.000 1 . . . . A 3 LYS CD . 30390 1 18 . 1 1 3 3 LYS CE C 13 42.130 0.20 1.000 1 . . . . A 3 LYS CE . 30390 1 19 . 1 1 3 3 LYS N N 15 123.408 0.20 1.000 1 . . . . A 3 LYS N . 30390 1 20 . 1 1 4 4 THR H H 1 8.401 0.02 1.000 1 . . . . A 4 THR H . 30390 1 21 . 1 1 4 4 THR HA H 1 4.355 0.02 0.645 1 . . . . A 4 THR HA . 30390 1 22 . 1 1 4 4 THR HB H 1 4.768 0.02 0.617 1 . . . . A 4 THR HB . 30390 1 23 . 1 1 4 4 THR HG21 H 1 1.241 0.02 1.000 1 . . . . A 4 THR HG21 . 30390 1 24 . 1 1 4 4 THR HG22 H 1 1.241 0.02 1.000 1 . . . . A 4 THR HG22 . 30390 1 25 . 1 1 4 4 THR HG23 H 1 1.241 0.02 1.000 1 . . . . A 4 THR HG23 . 30390 1 26 . 1 1 4 4 THR C C 13 175.002 0.20 1.000 1 . . . . A 4 THR C . 30390 1 27 . 1 1 4 4 THR CA C 13 61.980 0.20 0.540 1 . . . . A 4 THR CA . 30390 1 28 . 1 1 4 4 THR CB C 13 70.460 0.20 1.000 1 . . . . A 4 THR CB . 30390 1 29 . 1 1 4 4 THR CG2 C 13 21.920 0.20 1.000 1 . . . . A 4 THR CG2 . 30390 1 30 . 1 1 4 4 THR N N 15 115.500 0.20 1.000 1 . . . . A 4 THR N . 30390 1 31 . 1 1 5 5 ILE H H 1 8.363 0.02 1.000 1 . . . . A 5 ILE H . 30390 1 32 . 1 1 5 5 ILE HA H 1 4.030 0.02 1.000 1 . . . . A 5 ILE HA . 30390 1 33 . 1 1 5 5 ILE HB H 1 1.860 0.02 0.696 1 . . . . A 5 ILE HB . 30390 1 34 . 1 1 5 5 ILE HG12 H 1 1.143 0.02 0.593 2 . . . . A 5 ILE HG12 . 30390 1 35 . 1 1 5 5 ILE HG13 H 1 1.143 0.02 0.406 2 . . . . A 5 ILE HG13 . 30390 1 36 . 1 1 5 5 ILE HG21 H 1 0.918 0.02 0.543 1 . . . . A 5 ILE HG21 . 30390 1 37 . 1 1 5 5 ILE HG22 H 1 0.918 0.02 0.543 1 . . . . A 5 ILE HG22 . 30390 1 38 . 1 1 5 5 ILE HG23 H 1 0.918 0.02 0.543 1 . . . . A 5 ILE HG23 . 30390 1 39 . 1 1 5 5 ILE C C 13 176.806 0.20 1.000 1 . . . . A 5 ILE C . 30390 1 40 . 1 1 5 5 ILE CA C 13 62.420 0.20 1.000 1 . . . . A 5 ILE CA . 30390 1 41 . 1 1 5 5 ILE CB C 13 38.430 0.20 1.000 1 . . . . A 5 ILE CB . 30390 1 42 . 1 1 5 5 ILE CG1 C 13 27.940 0.20 1.000 1 . . . . A 5 ILE CG1 . 30390 1 43 . 1 1 5 5 ILE CG2 C 13 17.610 0.20 1.000 1 . . . . A 5 ILE CG2 . 30390 1 44 . 1 1 5 5 ILE N N 15 122.458 0.20 1.000 1 . . . . A 5 ILE N . 30390 1 45 . 1 1 6 6 GLN H H 1 8.378 0.02 1.000 1 . . . . A 6 GLN H . 30390 1 46 . 1 1 6 6 GLN HA H 1 4.238 0.02 1.000 1 . . . . A 6 GLN HA . 30390 1 47 . 1 1 6 6 GLN HB2 H 1 2.038 0.02 0.509 2 . . . . A 6 GLN HB2 . 30390 1 48 . 1 1 6 6 GLN HB3 H 1 2.038 0.02 0.468 2 . . . . A 6 GLN HB3 . 30390 1 49 . 1 1 6 6 GLN HG2 H 1 2.398 0.02 0.469 2 . . . . A 6 GLN HG2 . 30390 1 50 . 1 1 6 6 GLN HG3 H 1 2.398 0.02 0.481 2 . . . . A 6 GLN HG3 . 30390 1 51 . 1 1 6 6 GLN C C 13 177.191 0.20 0.999 1 . . . . A 6 GLN C . 30390 1 52 . 1 1 6 6 GLN CA C 13 57.460 0.20 1.000 1 . . . . A 6 GLN CA . 30390 1 53 . 1 1 6 6 GLN CB C 13 28.900 0.20 1.000 1 . . . . A 6 GLN CB . 30390 1 54 . 1 1 6 6 GLN CG C 13 34.080 0.20 1.000 1 . . . . A 6 GLN CG . 30390 1 55 . 1 1 6 6 GLN N N 15 122.628 0.20 1.000 1 . . . . A 6 GLN N . 30390 1 56 . 1 1 7 7 GLU H H 1 8.262 0.02 0.999 1 . . . . A 7 GLU H . 30390 1 57 . 1 1 7 7 GLU HA H 1 4.153 0.02 0.676 1 . . . . A 7 GLU HA . 30390 1 58 . 1 1 7 7 GLU HB2 H 1 2.046 0.02 0.432 2 . . . . A 7 GLU HB2 . 30390 1 59 . 1 1 7 7 GLU HB3 H 1 2.046 0.02 0.315 2 . . . . A 7 GLU HB3 . 30390 1 60 . 1 1 7 7 GLU HG2 H 1 2.290 0.02 0.385 2 . . . . A 7 GLU HG2 . 30390 1 61 . 1 1 7 7 GLU HG3 H 1 2.290 0.02 0.323 2 . . . . A 7 GLU HG3 . 30390 1 62 . 1 1 7 7 GLU C C 13 177.856 0.20 0.552 1 . . . . A 7 GLU C . 30390 1 63 . 1 1 7 7 GLU CA C 13 57.960 0.20 1.000 1 . . . . A 7 GLU CA . 30390 1 64 . 1 1 7 7 GLU CB C 13 30.300 0.20 0.857 1 . . . . A 7 GLU CB . 30390 1 65 . 1 1 7 7 GLU CG C 13 36.820 0.20 0.861 1 . . . . A 7 GLU CG . 30390 1 66 . 1 1 7 7 GLU N N 15 121.815 0.20 0.999 1 . . . . A 7 GLU N . 30390 1 67 . 1 1 8 8 LYS H H 1 8.343 0.02 0.552 1 . . . . A 8 LYS H . 30390 1 68 . 1 1 8 8 LYS HA H 1 4.176 0.02 0.615 1 . . . . A 8 LYS HA . 30390 1 69 . 1 1 8 8 LYS HB2 H 1 1.857 0.02 0.395 2 . . . . A 8 LYS HB2 . 30390 1 70 . 1 1 8 8 LYS HB3 H 1 1.857 0.02 0.408 2 . . . . A 8 LYS HB3 . 30390 1 71 . 1 1 8 8 LYS HG2 H 1 1.449 0.02 0.373 2 . . . . A 8 LYS HG2 . 30390 1 72 . 1 1 8 8 LYS HG3 H 1 1.449 0.02 0.423 2 . . . . A 8 LYS HG3 . 30390 1 73 . 1 1 8 8 LYS HD2 H 1 1.710 0.02 0.337 2 . . . . A 8 LYS HD2 . 30390 1 74 . 1 1 8 8 LYS HD3 H 1 1.710 0.02 0.398 2 . . . . A 8 LYS HD3 . 30390 1 75 . 1 1 8 8 LYS C C 13 177.788 0.20 0.404 1 . . . . A 8 LYS C . 30390 1 76 . 1 1 8 8 LYS CA C 13 57.870 0.20 0.498 1 . . . . A 8 LYS CA . 30390 1 77 . 1 1 8 8 LYS CB C 13 32.610 0.20 0.499 1 . . . . A 8 LYS CB . 30390 1 78 . 1 1 8 8 LYS CG C 13 25.000 0.20 0.887 1 . . . . A 8 LYS CG . 30390 1 79 . 1 1 8 8 LYS CD C 13 29.180 0.20 0.755 1 . . . . A 8 LYS CD . 30390 1 80 . 1 1 8 8 LYS CE C 13 41.510 0.20 0.887 1 . . . . A 8 LYS CE . 30390 1 81 . 1 1 8 8 LYS N N 15 121.293 0.20 0.552 1 . . . . A 8 LYS N . 30390 1 82 . 1 1 9 9 GLU H H 1 8.411 0.02 0.404 1 . . . . A 9 GLU H . 30390 1 83 . 1 1 9 9 GLU HA H 1 4.114 0.02 0.303 1 . . . . A 9 GLU HA . 30390 1 84 . 1 1 9 9 GLU HB2 H 1 2.052 0.02 0.429 2 . . . . A 9 GLU HB2 . 30390 1 85 . 1 1 9 9 GLU HB3 H 1 2.052 0.02 0.303 2 . . . . A 9 GLU HB3 . 30390 1 86 . 1 1 9 9 GLU HG2 H 1 2.351 0.02 0.366 2 . . . . A 9 GLU HG2 . 30390 1 87 . 1 1 9 9 GLU HG3 H 1 2.246 0.02 0.356 2 . . . . A 9 GLU HG3 . 30390 1 88 . 1 1 9 9 GLU C C 13 177.900 0.20 0.373 1 . . . . A 9 GLU C . 30390 1 89 . 1 1 9 9 GLU CA C 13 58.210 0.20 0.864 1 . . . . A 9 GLU CA . 30390 1 90 . 1 1 9 9 GLU CB C 13 29.870 0.20 0.401 1 . . . . A 9 GLU CB . 30390 1 91 . 1 1 9 9 GLU CG C 13 36.550 0.20 0.725 1 . . . . A 9 GLU CG . 30390 1 92 . 1 1 9 9 GLU N N 15 120.556 0.20 0.404 1 . . . . A 9 GLU N . 30390 1 93 . 1 1 10 10 GLN H H 1 8.179 0.02 0.373 1 . . . . A 10 GLN H . 30390 1 94 . 1 1 10 10 GLN HA H 1 4.161 0.02 0.454 1 . . . . A 10 GLN HA . 30390 1 95 . 1 1 10 10 GLN HB2 H 1 2.095 0.02 0.410 2 . . . . A 10 GLN HB2 . 30390 1 96 . 1 1 10 10 GLN HB3 H 1 2.095 0.02 0.447 2 . . . . A 10 GLN HB3 . 30390 1 97 . 1 1 10 10 GLN HG2 H 1 2.401 0.02 0.536 2 . . . . A 10 GLN HG2 . 30390 1 98 . 1 1 10 10 GLN HG3 H 1 2.401 0.02 0.397 2 . . . . A 10 GLN HG3 . 30390 1 99 . 1 1 10 10 GLN C C 13 176.900 0.20 0.529 1 . . . . A 10 GLN C . 30390 1 100 . 1 1 10 10 GLN CA C 13 57.180 0.20 1.000 1 . . . . A 10 GLN CA . 30390 1 101 . 1 1 10 10 GLN CB C 13 29.040 0.20 1.000 1 . . . . A 10 GLN CB . 30390 1 102 . 1 1 10 10 GLN CG C 13 33.880 0.20 1.000 1 . . . . A 10 GLN CG . 30390 1 103 . 1 1 10 10 GLN N N 15 119.787 0.20 0.373 1 . . . . A 10 GLN N . 30390 1 104 . 1 1 11 11 GLU H H 1 8.177 0.02 0.529 1 . . . . A 11 GLU H . 30390 1 105 . 1 1 11 11 GLU HA H 1 4.162 0.02 0.493 1 . . . . A 11 GLU HA . 30390 1 106 . 1 1 11 11 GLU HB2 H 1 2.055 0.02 0.326 2 . . . . A 11 GLU HB2 . 30390 1 107 . 1 1 11 11 GLU HB3 H 1 2.055 0.02 0.331 2 . . . . A 11 GLU HB3 . 30390 1 108 . 1 1 11 11 GLU HG2 H 1 2.349 0.02 0.471 2 . . . . A 11 GLU HG2 . 30390 1 109 . 1 1 11 11 GLU HG3 H 1 2.224 0.02 0.401 2 . . . . A 11 GLU HG3 . 30390 1 110 . 1 1 11 11 GLU C C 13 177.600 0.20 0.596 1 . . . . A 11 GLU C . 30390 1 111 . 1 1 11 11 GLU CA C 13 57.950 0.20 1.000 1 . . . . A 11 GLU CA . 30390 1 112 . 1 1 11 11 GLU CB C 13 30.080 0.20 0.631 1 . . . . A 11 GLU CB . 30390 1 113 . 1 1 11 11 GLU CG C 13 36.410 0.20 1.000 1 . . . . A 11 GLU CG . 30390 1 114 . 1 1 11 11 GLU N N 15 120.929 0.20 0.529 1 . . . . A 11 GLU N . 30390 1 115 . 1 1 12 12 LEU H H 1 8.054 0.02 0.596 1 . . . . A 12 LEU H . 30390 1 116 . 1 1 12 12 LEU HA H 1 4.244 0.02 1.000 1 . . . . A 12 LEU HA . 30390 1 117 . 1 1 12 12 LEU HB2 H 1 1.730 0.02 0.545 2 . . . . A 12 LEU HB2 . 30390 1 118 . 1 1 12 12 LEU HB3 H 1 1.591 0.02 0.512 2 . . . . A 12 LEU HB3 . 30390 1 119 . 1 1 12 12 LEU HG H 1 1.389 0.02 0.456 1 . . . . A 12 LEU HG . 30390 1 120 . 1 1 12 12 LEU HD11 H 1 0.895 0.02 0.637 2 . . . . A 12 LEU HD11 . 30390 1 121 . 1 1 12 12 LEU HD12 H 1 0.895 0.02 0.637 2 . . . . A 12 LEU HD12 . 30390 1 122 . 1 1 12 12 LEU HD13 H 1 0.895 0.02 0.637 2 . . . . A 12 LEU HD13 . 30390 1 123 . 1 1 12 12 LEU HD21 H 1 0.895 0.02 0.632 2 . . . . A 12 LEU HD21 . 30390 1 124 . 1 1 12 12 LEU HD22 H 1 0.895 0.02 0.632 2 . . . . A 12 LEU HD22 . 30390 1 125 . 1 1 12 12 LEU HD23 H 1 0.895 0.02 0.632 2 . . . . A 12 LEU HD23 . 30390 1 126 . 1 1 12 12 LEU C C 13 178.217 0.20 1.000 1 . . . . A 12 LEU C . 30390 1 127 . 1 1 12 12 LEU CA C 13 56.340 0.20 1.000 1 . . . . A 12 LEU CA . 30390 1 128 . 1 1 12 12 LEU CB C 13 42.010 0.20 1.000 1 . . . . A 12 LEU CB . 30390 1 129 . 1 1 12 12 LEU CG C 13 26.950 0.20 1.000 1 . . . . A 12 LEU CG . 30390 1 130 . 1 1 12 12 LEU CD1 C 13 24.900 0.20 0.733 2 . . . . A 12 LEU CD1 . 30390 1 131 . 1 1 12 12 LEU CD2 C 13 23.710 0.20 0.730 2 . . . . A 12 LEU CD2 . 30390 1 132 . 1 1 12 12 LEU N N 15 121.357 0.20 0.596 1 . . . . A 12 LEU N . 30390 1 133 . 1 1 13 13 LYS H H 1 8.048 0.02 1.000 1 . . . . A 13 LYS H . 30390 1 134 . 1 1 13 13 LYS HA H 1 4.181 0.02 1.000 1 . . . . A 13 LYS HA . 30390 1 135 . 1 1 13 13 LYS HB2 H 1 1.836 0.02 0.461 2 . . . . A 13 LYS HB2 . 30390 1 136 . 1 1 13 13 LYS HB3 H 1 1.708 0.02 0.478 2 . . . . A 13 LYS HB3 . 30390 1 137 . 1 1 13 13 LYS HG2 H 1 1.440 0.02 0.441 2 . . . . A 13 LYS HG2 . 30390 1 138 . 1 1 13 13 LYS HG3 H 1 1.440 0.02 0.500 2 . . . . A 13 LYS HG3 . 30390 1 139 . 1 1 13 13 LYS C C 13 176.889 0.20 1.000 1 . . . . A 13 LYS C . 30390 1 140 . 1 1 13 13 LYS CA C 13 57.460 0.20 1.000 1 . . . . A 13 LYS CA . 30390 1 141 . 1 1 13 13 LYS CB C 13 32.770 0.20 1.000 1 . . . . A 13 LYS CB . 30390 1 142 . 1 1 13 13 LYS CG C 13 24.930 0.20 1.000 1 . . . . A 13 LYS CG . 30390 1 143 . 1 1 13 13 LYS CD C 13 29.110 0.20 1.000 1 . . . . A 13 LYS CD . 30390 1 144 . 1 1 13 13 LYS CE C 13 42.270 0.20 1.000 1 . . . . A 13 LYS CE . 30390 1 145 . 1 1 13 13 LYS N N 15 120.587 0.20 1.000 1 . . . . A 13 LYS N . 30390 1 146 . 1 1 14 14 ASN H H 1 8.236 0.02 1.000 1 . . . . A 14 ASN H . 30390 1 147 . 1 1 14 14 ASN HA H 1 4.630 0.02 1.000 1 . . . . A 14 ASN HA . 30390 1 148 . 1 1 14 14 ASN HB2 H 1 2.852 0.02 0.577 2 . . . . A 14 ASN HB2 . 30390 1 149 . 1 1 14 14 ASN HB3 H 1 2.852 0.02 0.691 2 . . . . A 14 ASN HB3 . 30390 1 150 . 1 1 14 14 ASN C C 13 175.736 0.20 1.000 1 . . . . A 14 ASN C . 30390 1 151 . 1 1 14 14 ASN CA C 13 54.320 0.20 1.000 1 . . . . A 14 ASN CA . 30390 1 152 . 1 1 14 14 ASN CB C 13 38.570 0.20 1.000 1 . . . . A 14 ASN CB . 30390 1 153 . 1 1 14 14 ASN N N 15 118.174 0.20 1.000 1 . . . . A 14 ASN N . 30390 1 154 . 1 1 15 15 LEU H H 1 8.013 0.02 1.000 1 . . . . A 15 LEU H . 30390 1 155 . 1 1 15 15 LEU HA H 1 4.286 0.02 1.000 1 . . . . A 15 LEU HA . 30390 1 156 . 1 1 15 15 LEU HB2 H 1 1.689 0.02 0.401 2 . . . . A 15 LEU HB2 . 30390 1 157 . 1 1 15 15 LEU HB3 H 1 1.689 0.02 0.550 2 . . . . A 15 LEU HB3 . 30390 1 158 . 1 1 15 15 LEU HD11 H 1 0.911 0.02 0.605 2 . . . . A 15 LEU HD11 . 30390 1 159 . 1 1 15 15 LEU HD12 H 1 0.911 0.02 0.605 2 . . . . A 15 LEU HD12 . 30390 1 160 . 1 1 15 15 LEU HD13 H 1 0.911 0.02 0.605 2 . . . . A 15 LEU HD13 . 30390 1 161 . 1 1 15 15 LEU HD21 H 1 0.911 0.02 0.591 2 . . . . A 15 LEU HD21 . 30390 1 162 . 1 1 15 15 LEU HD22 H 1 0.911 0.02 0.591 2 . . . . A 15 LEU HD22 . 30390 1 163 . 1 1 15 15 LEU HD23 H 1 0.911 0.02 0.591 2 . . . . A 15 LEU HD23 . 30390 1 164 . 1 1 15 15 LEU C C 13 177.900 0.20 1.000 1 . . . . A 15 LEU C . 30390 1 165 . 1 1 15 15 LEU CA C 13 56.240 0.20 1.000 1 . . . . A 15 LEU CA . 30390 1 166 . 1 1 15 15 LEU CB C 13 42.280 0.20 0.771 1 . . . . A 15 LEU CB . 30390 1 167 . 1 1 15 15 LEU CG C 13 27.310 0.20 1.000 1 . . . . A 15 LEU CG . 30390 1 168 . 1 1 15 15 LEU CD1 C 13 24.950 0.20 0.722 2 . . . . A 15 LEU CD1 . 30390 1 169 . 1 1 15 15 LEU CD2 C 13 23.690 0.20 0.713 2 . . . . A 15 LEU CD2 . 30390 1 170 . 1 1 15 15 LEU N N 15 121.822 0.20 1.000 1 . . . . A 15 LEU N . 30390 1 171 . 1 1 16 16 LYS H H 1 8.156 0.02 1.000 1 . . . . A 16 LYS H . 30390 1 172 . 1 1 16 16 LYS HA H 1 4.237 0.02 1.000 1 . . . . A 16 LYS HA . 30390 1 173 . 1 1 16 16 LYS HB2 H 1 1.835 0.02 0.462 2 . . . . A 16 LYS HB2 . 30390 1 174 . 1 1 16 16 LYS HB3 H 1 1.705 0.02 0.478 2 . . . . A 16 LYS HB3 . 30390 1 175 . 1 1 16 16 LYS HG2 H 1 1.446 0.02 0.428 2 . . . . A 16 LYS HG2 . 30390 1 176 . 1 1 16 16 LYS HG3 H 1 1.446 0.02 0.520 2 . . . . A 16 LYS HG3 . 30390 1 177 . 1 1 16 16 LYS C C 13 176.841 0.20 1.000 1 . . . . A 16 LYS C . 30390 1 178 . 1 1 16 16 LYS CA C 13 57.080 0.20 1.000 1 . . . . A 16 LYS CA . 30390 1 179 . 1 1 16 16 LYS CB C 13 32.870 0.20 1.000 1 . . . . A 16 LYS CB . 30390 1 180 . 1 1 16 16 LYS CG C 13 24.790 0.20 1.000 1 . . . . A 16 LYS CG . 30390 1 181 . 1 1 16 16 LYS CD C 13 29.150 0.20 1.000 1 . . . . A 16 LYS CD . 30390 1 182 . 1 1 16 16 LYS CE C 13 42.280 0.20 1.000 1 . . . . A 16 LYS CE . 30390 1 183 . 1 1 16 16 LYS N N 15 120.728 0.20 1.000 1 . . . . A 16 LYS N . 30390 1 184 . 1 1 17 17 ASP H H 1 8.251 0.02 1.000 1 . . . . A 17 ASP H . 30390 1 185 . 1 1 17 17 ASP HA H 1 4.549 0.02 1.000 1 . . . . A 17 ASP HA . 30390 1 186 . 1 1 17 17 ASP HB2 H 1 2.692 0.02 0.898 2 . . . . A 17 ASP HB2 . 30390 1 187 . 1 1 17 17 ASP HB3 H 1 2.692 0.02 0.461 2 . . . . A 17 ASP HB3 . 30390 1 188 . 1 1 17 17 ASP C C 13 176.538 0.20 1.000 1 . . . . A 17 ASP C . 30390 1 189 . 1 1 17 17 ASP CA C 13 55.420 0.20 0.787 1 . . . . A 17 ASP CA . 30390 1 190 . 1 1 17 17 ASP CB C 13 41.060 0.20 1.000 1 . . . . A 17 ASP CB . 30390 1 191 . 1 1 17 17 ASP N N 15 120.263 0.20 1.000 1 . . . . A 17 ASP N . 30390 1 192 . 1 1 18 18 ASN H H 1 8.304 0.02 1.000 1 . . . . A 18 ASN H . 30390 1 193 . 1 1 18 18 ASN HA H 1 4.627 0.02 0.431 1 . . . . A 18 ASN HA . 30390 1 194 . 1 1 18 18 ASN HB2 H 1 2.844 0.02 0.612 2 . . . . A 18 ASN HB2 . 30390 1 195 . 1 1 18 18 ASN HB3 H 1 2.844 0.02 0.742 2 . . . . A 18 ASN HB3 . 30390 1 196 . 1 1 18 18 ASN C C 13 176.184 0.20 1.000 1 . . . . A 18 ASN C . 30390 1 197 . 1 1 18 18 ASN CA C 13 54.490 0.20 0.611 1 . . . . A 18 ASN CA . 30390 1 198 . 1 1 18 18 ASN CB C 13 38.700 0.20 0.892 1 . . . . A 18 ASN CB . 30390 1 199 . 1 1 18 18 ASN N N 15 119.052 0.20 1.000 1 . . . . A 18 ASN N . 30390 1 200 . 1 1 19 19 VAL H H 1 8.085 0.02 1.000 1 . . . . A 19 VAL H . 30390 1 201 . 1 1 19 19 VAL HA H 1 3.923 0.02 1.000 1 . . . . A 19 VAL HA . 30390 1 202 . 1 1 19 19 VAL HB H 1 2.161 0.02 1.000 1 . . . . A 19 VAL HB . 30390 1 203 . 1 1 19 19 VAL HG11 H 1 0.978 0.02 0.691 2 . . . . A 19 VAL HG11 . 30390 1 204 . 1 1 19 19 VAL HG12 H 1 0.978 0.02 0.691 2 . . . . A 19 VAL HG12 . 30390 1 205 . 1 1 19 19 VAL HG13 H 1 0.978 0.02 0.691 2 . . . . A 19 VAL HG13 . 30390 1 206 . 1 1 19 19 VAL HG21 H 1 0.978 0.02 0.652 2 . . . . A 19 VAL HG21 . 30390 1 207 . 1 1 19 19 VAL HG22 H 1 0.978 0.02 0.652 2 . . . . A 19 VAL HG22 . 30390 1 208 . 1 1 19 19 VAL HG23 H 1 0.978 0.02 0.652 2 . . . . A 19 VAL HG23 . 30390 1 209 . 1 1 19 19 VAL C C 13 177.420 0.20 1.000 1 . . . . A 19 VAL C . 30390 1 210 . 1 1 19 19 VAL CA C 13 64.500 0.20 1.000 1 . . . . A 19 VAL CA . 30390 1 211 . 1 1 19 19 VAL CB C 13 32.240 0.20 1.000 1 . . . . A 19 VAL CB . 30390 1 212 . 1 1 19 19 VAL CG1 C 13 21.370 0.20 0.534 2 . . . . A 19 VAL CG1 . 30390 1 213 . 1 1 19 19 VAL CG2 C 13 21.370 0.20 0.721 2 . . . . A 19 VAL CG2 . 30390 1 214 . 1 1 19 19 VAL N N 15 120.688 0.20 1.000 1 . . . . A 19 VAL N . 30390 1 215 . 1 1 20 20 GLU H H 1 8.238 0.02 1.000 1 . . . . A 20 GLU H . 30390 1 216 . 1 1 20 20 GLU HA H 1 4.243 0.02 1.000 1 . . . . A 20 GLU HA . 30390 1 217 . 1 1 20 20 GLU HB2 H 1 2.034 0.02 0.658 2 . . . . A 20 GLU HB2 . 30390 1 218 . 1 1 20 20 GLU HB3 H 1 2.034 0.02 0.471 2 . . . . A 20 GLU HB3 . 30390 1 219 . 1 1 20 20 GLU HG2 H 1 2.297 0.02 0.580 2 . . . . A 20 GLU HG2 . 30390 1 220 . 1 1 20 20 GLU HG3 H 1 2.297 0.02 0.567 2 . . . . A 20 GLU HG3 . 30390 1 221 . 1 1 20 20 GLU C C 13 177.760 0.20 1.000 1 . . . . A 20 GLU C . 30390 1 222 . 1 1 20 20 GLU CA C 13 57.870 0.20 1.000 1 . . . . A 20 GLU CA . 30390 1 223 . 1 1 20 20 GLU CB C 13 29.660 0.20 1.000 1 . . . . A 20 GLU CB . 30390 1 224 . 1 1 20 20 GLU CG C 13 36.120 0.20 0.842 1 . . . . A 20 GLU CG . 30390 1 225 . 1 1 20 20 GLU N N 15 122.410 0.20 1.000 1 . . . . A 20 GLU N . 30390 1 226 . 1 1 21 21 LEU H H 1 8.029 0.02 1.000 1 . . . . A 21 LEU H . 30390 1 227 . 1 1 21 21 LEU HA H 1 4.158 0.02 1.000 1 . . . . A 21 LEU HA . 30390 1 228 . 1 1 21 21 LEU HB2 H 1 1.736 0.02 0.444 2 . . . . A 21 LEU HB2 . 30390 1 229 . 1 1 21 21 LEU HB3 H 1 1.606 0.02 0.486 2 . . . . A 21 LEU HB3 . 30390 1 230 . 1 1 21 21 LEU HG H 1 1.485 0.02 1.000 1 . . . . A 21 LEU HG . 30390 1 231 . 1 1 21 21 LEU HD11 H 1 0.914 0.02 0.614 2 . . . . A 21 LEU HD11 . 30390 1 232 . 1 1 21 21 LEU HD12 H 1 0.914 0.02 0.614 2 . . . . A 21 LEU HD12 . 30390 1 233 . 1 1 21 21 LEU HD13 H 1 0.914 0.02 0.614 2 . . . . A 21 LEU HD13 . 30390 1 234 . 1 1 21 21 LEU HD21 H 1 0.914 0.02 0.594 2 . . . . A 21 LEU HD21 . 30390 1 235 . 1 1 21 21 LEU HD22 H 1 0.914 0.02 0.594 2 . . . . A 21 LEU HD22 . 30390 1 236 . 1 1 21 21 LEU HD23 H 1 0.914 0.02 0.594 2 . . . . A 21 LEU HD23 . 30390 1 237 . 1 1 21 21 LEU C C 13 178.958 0.20 1.000 1 . . . . A 21 LEU C . 30390 1 238 . 1 1 21 21 LEU CA C 13 57.070 0.20 1.000 1 . . . . A 21 LEU CA . 30390 1 239 . 1 1 21 21 LEU CB C 13 42.100 0.20 1.000 1 . . . . A 21 LEU CB . 30390 1 240 . 1 1 21 21 LEU CG C 13 27.040 0.20 1.000 1 . . . . A 21 LEU CG . 30390 1 241 . 1 1 21 21 LEU CD1 C 13 24.910 0.20 0.867 2 . . . . A 21 LEU CD1 . 30390 1 242 . 1 1 21 21 LEU CD2 C 13 23.810 0.20 0.813 2 . . . . A 21 LEU CD2 . 30390 1 243 . 1 1 21 21 LEU N N 15 120.920 0.20 1.000 1 . . . . A 21 LEU N . 30390 1 244 . 1 1 22 22 GLU H H 1 8.156 0.02 1.000 1 . . . . A 22 GLU H . 30390 1 245 . 1 1 22 22 GLU HA H 1 4.103 0.02 1.000 1 . . . . A 22 GLU HA . 30390 1 246 . 1 1 22 22 GLU HB2 H 1 2.050 0.02 0.479 2 . . . . A 22 GLU HB2 . 30390 1 247 . 1 1 22 22 GLU HB3 H 1 2.050 0.02 0.244 2 . . . . A 22 GLU HB3 . 30390 1 248 . 1 1 22 22 GLU HG2 H 1 2.290 0.02 0.344 2 . . . . A 22 GLU HG2 . 30390 1 249 . 1 1 22 22 GLU HG3 H 1 2.290 0.02 0.354 2 . . . . A 22 GLU HG3 . 30390 1 250 . 1 1 22 22 GLU C C 13 177.979 0.20 0.708 1 . . . . A 22 GLU C . 30390 1 251 . 1 1 22 22 GLU CA C 13 58.160 0.20 1.000 1 . . . . A 22 GLU CA . 30390 1 252 . 1 1 22 22 GLU CB C 13 30.240 0.20 0.708 1 . . . . A 22 GLU CB . 30390 1 253 . 1 1 22 22 GLU CG C 13 36.270 0.20 0.876 1 . . . . A 22 GLU CG . 30390 1 254 . 1 1 22 22 GLU N N 15 119.760 0.20 1.000 1 . . . . A 22 GLU N . 30390 1 255 . 1 1 23 23 ARG H H 1 8.012 0.02 0.708 1 . . . . A 23 ARG H . 30390 1 256 . 1 1 23 23 ARG HA H 1 4.143 0.02 0.480 1 . . . . A 23 ARG HA . 30390 1 257 . 1 1 23 23 ARG HB2 H 1 1.885 0.02 0.282 2 . . . . A 23 ARG HB2 . 30390 1 258 . 1 1 23 23 ARG HB3 H 1 1.885 0.02 0.389 2 . . . . A 23 ARG HB3 . 30390 1 259 . 1 1 23 23 ARG HG2 H 1 1.622 0.02 0.346 2 . . . . A 23 ARG HG2 . 30390 1 260 . 1 1 23 23 ARG HG3 H 1 1.622 0.02 0.609 2 . . . . A 23 ARG HG3 . 30390 1 261 . 1 1 23 23 ARG HD2 H 1 3.195 0.02 0.527 2 . . . . A 23 ARG HD2 . 30390 1 262 . 1 1 23 23 ARG HD3 H 1 3.195 0.02 0.698 2 . . . . A 23 ARG HD3 . 30390 1 263 . 1 1 23 23 ARG C C 13 177.818 0.20 0.492 1 . . . . A 23 ARG C . 30390 1 264 . 1 1 23 23 ARG CA C 13 58.190 0.20 1.000 1 . . . . A 23 ARG CA . 30390 1 265 . 1 1 23 23 ARG CB C 13 30.310 0.20 1.000 1 . . . . A 23 ARG CB . 30390 1 266 . 1 1 23 23 ARG CG C 13 27.390 0.20 1.000 1 . . . . A 23 ARG CG . 30390 1 267 . 1 1 23 23 ARG CD C 13 43.370 0.20 1.000 1 . . . . A 23 ARG CD . 30390 1 268 . 1 1 23 23 ARG N N 15 120.500 0.20 0.708 1 . . . . A 23 ARG N . 30390 1 269 . 1 1 24 24 LEU H H 1 8.017 0.02 0.492 1 . . . . A 24 LEU H . 30390 1 270 . 1 1 24 24 LEU HA H 1 4.184 0.02 1.000 1 . . . . A 24 LEU HA . 30390 1 271 . 1 1 24 24 LEU HB2 H 1 1.753 0.02 0.540 2 . . . . A 24 LEU HB2 . 30390 1 272 . 1 1 24 24 LEU HB3 H 1 1.584 0.02 0.488 2 . . . . A 24 LEU HB3 . 30390 1 273 . 1 1 24 24 LEU HG H 1 1.505 0.02 0.454 1 . . . . A 24 LEU HG . 30390 1 274 . 1 1 24 24 LEU HD11 H 1 0.892 0.02 0.633 2 . . . . A 24 LEU HD11 . 30390 1 275 . 1 1 24 24 LEU HD12 H 1 0.892 0.02 0.633 2 . . . . A 24 LEU HD12 . 30390 1 276 . 1 1 24 24 LEU HD13 H 1 0.892 0.02 0.633 2 . . . . A 24 LEU HD13 . 30390 1 277 . 1 1 24 24 LEU HD21 H 1 0.892 0.02 0.633 2 . . . . A 24 LEU HD21 . 30390 1 278 . 1 1 24 24 LEU HD22 H 1 0.892 0.02 0.633 2 . . . . A 24 LEU HD22 . 30390 1 279 . 1 1 24 24 LEU HD23 H 1 0.892 0.02 0.633 2 . . . . A 24 LEU HD23 . 30390 1 280 . 1 1 24 24 LEU C C 13 178.534 0.20 1.000 1 . . . . A 24 LEU C . 30390 1 281 . 1 1 24 24 LEU CA C 13 56.510 0.20 1.000 1 . . . . A 24 LEU CA . 30390 1 282 . 1 1 24 24 LEU CB C 13 42.090 0.20 1.000 1 . . . . A 24 LEU CB . 30390 1 283 . 1 1 24 24 LEU CG C 13 26.910 0.20 1.000 1 . . . . A 24 LEU CG . 30390 1 284 . 1 1 24 24 LEU CD1 C 13 25.100 0.20 1.000 2 . . . . A 24 LEU CD1 . 30390 1 285 . 1 1 24 24 LEU CD2 C 13 23.350 0.20 1.000 2 . . . . A 24 LEU CD2 . 30390 1 286 . 1 1 24 24 LEU N N 15 120.340 0.20 0.492 1 . . . . A 24 LEU N . 30390 1 287 . 1 1 25 25 LYS H H 1 7.978 0.02 1.000 1 . . . . A 25 LYS H . 30390 1 288 . 1 1 25 25 LYS HA H 1 4.148 0.02 1.000 1 . . . . A 25 LYS HA . 30390 1 289 . 1 1 25 25 LYS HB2 H 1 1.853 0.02 0.484 2 . . . . A 25 LYS HB2 . 30390 1 290 . 1 1 25 25 LYS HB3 H 1 1.853 0.02 0.449 2 . . . . A 25 LYS HB3 . 30390 1 291 . 1 1 25 25 LYS HG2 H 1 1.493 0.02 0.477 2 . . . . A 25 LYS HG2 . 30390 1 292 . 1 1 25 25 LYS HG3 H 1 1.405 0.02 0.486 2 . . . . A 25 LYS HG3 . 30390 1 293 . 1 1 25 25 LYS HD2 H 1 1.705 0.02 0.487 2 . . . . A 25 LYS HD2 . 30390 1 294 . 1 1 25 25 LYS HD3 H 1 1.705 0.02 0.481 2 . . . . A 25 LYS HD3 . 30390 1 295 . 1 1 25 25 LYS C C 13 177.243 0.20 1.000 1 . . . . A 25 LYS C . 30390 1 296 . 1 1 25 25 LYS CA C 13 57.800 0.20 1.000 1 . . . . A 25 LYS CA . 30390 1 297 . 1 1 25 25 LYS CB C 13 32.720 0.20 1.000 1 . . . . A 25 LYS CB . 30390 1 298 . 1 1 25 25 LYS CG C 13 24.920 0.20 1.000 1 . . . . A 25 LYS CG . 30390 1 299 . 1 1 25 25 LYS CD C 13 29.350 0.20 1.000 1 . . . . A 25 LYS CD . 30390 1 300 . 1 1 25 25 LYS CE C 13 42.330 0.20 1.000 1 . . . . A 25 LYS CE . 30390 1 301 . 1 1 25 25 LYS N N 15 120.035 0.20 1.000 1 . . . . A 25 LYS N . 30390 1 302 . 1 1 26 26 ASN H H 1 8.135 0.02 1.000 1 . . . . A 26 ASN H . 30390 1 303 . 1 1 26 26 ASN HA H 1 4.655 0.02 1.000 1 . . . . A 26 ASN HA . 30390 1 304 . 1 1 26 26 ASN HB2 H 1 2.849 0.02 0.751 2 . . . . A 26 ASN HB2 . 30390 1 305 . 1 1 26 26 ASN HB3 H 1 2.756 0.02 0.692 2 . . . . A 26 ASN HB3 . 30390 1 306 . 1 1 26 26 ASN C C 13 175.509 0.20 1.000 1 . . . . A 26 ASN C . 30390 1 307 . 1 1 26 26 ASN CA C 13 53.840 0.20 1.000 1 . . . . A 26 ASN CA . 30390 1 308 . 1 1 26 26 ASN CB C 13 38.950 0.20 0.560 1 . . . . A 26 ASN CB . 30390 1 309 . 1 1 26 26 ASN N N 15 118.002 0.20 1.000 1 . . . . A 26 ASN N . 30390 1 310 . 1 1 27 27 GLU H H 1 8.148 0.02 1.000 1 . . . . A 27 GLU H . 30390 1 311 . 1 1 27 27 GLU HA H 1 4.242 0.02 0.731 1 . . . . A 27 GLU HA . 30390 1 312 . 1 1 27 27 GLU HB2 H 1 1.912 0.02 0.364 2 . . . . A 27 GLU HB2 . 30390 1 313 . 1 1 27 27 GLU HB3 H 1 1.912 0.02 0.318 2 . . . . A 27 GLU HB3 . 30390 1 314 . 1 1 27 27 GLU HG2 H 1 2.256 0.02 0.430 2 . . . . A 27 GLU HG2 . 30390 1 315 . 1 1 27 27 GLU HG3 H 1 2.256 0.02 0.340 2 . . . . A 27 GLU HG3 . 30390 1 316 . 1 1 27 27 GLU C C 13 177.858 0.20 0.658 1 . . . . A 27 GLU C . 30390 1 317 . 1 1 27 27 GLU CA C 13 58.280 0.20 0.752 1 . . . . A 27 GLU CA . 30390 1 318 . 1 1 27 27 GLU CB C 13 30.320 0.20 0.582 1 . . . . A 27 GLU CB . 30390 1 319 . 1 1 27 27 GLU CG C 13 36.390 0.20 0.805 1 . . . . A 27 GLU CG . 30390 1 320 . 1 1 27 27 GLU N N 15 120.852 0.20 1.000 1 . . . . A 27 GLU N . 30390 1 321 . 1 1 28 28 ARG H H 1 8.160 0.02 0.658 1 . . . . A 28 ARG H . 30390 1 322 . 1 1 28 28 ARG HA H 1 4.264 0.02 1.000 1 . . . . A 28 ARG HA . 30390 1 323 . 1 1 28 28 ARG HB2 H 1 1.813 0.02 0.487 2 . . . . A 28 ARG HB2 . 30390 1 324 . 1 1 28 28 ARG HB3 H 1 1.813 0.02 0.489 2 . . . . A 28 ARG HB3 . 30390 1 325 . 1 1 28 28 ARG HG2 H 1 1.602 0.02 0.477 2 . . . . A 28 ARG HG2 . 30390 1 326 . 1 1 28 28 ARG HG3 H 1 1.602 0.02 0.479 2 . . . . A 28 ARG HG3 . 30390 1 327 . 1 1 28 28 ARG C C 13 176.300 0.20 1.000 1 . . . . A 28 ARG C . 30390 1 328 . 1 1 28 28 ARG CA C 13 56.370 0.20 1.000 1 . . . . A 28 ARG CA . 30390 1 329 . 1 1 28 28 ARG CB C 13 30.760 0.20 1.000 1 . . . . A 28 ARG CB . 30390 1 330 . 1 1 28 28 ARG CG C 13 27.110 0.20 1.000 1 . . . . A 28 ARG CG . 30390 1 331 . 1 1 28 28 ARG CD C 13 43.290 0.20 1.000 1 . . . . A 28 ARG CD . 30390 1 332 . 1 1 28 28 ARG N N 15 120.900 0.20 0.658 1 . . . . A 28 ARG N . 30390 1 333 . 1 1 29 29 HIS H H 1 8.505 0.02 1.000 1 . . . . A 29 HIS H . 30390 1 334 . 1 1 29 29 HIS HA H 1 4.684 0.02 1.000 1 . . . . A 29 HIS HA . 30390 1 335 . 1 1 29 29 HIS HB2 H 1 3.276 0.02 0.837 2 . . . . A 29 HIS HB2 . 30390 1 336 . 1 1 29 29 HIS HB3 H 1 3.124 0.02 0.815 2 . . . . A 29 HIS HB3 . 30390 1 337 . 1 1 29 29 HIS C C 13 174.696 0.20 1.000 1 . . . . A 29 HIS C . 30390 1 338 . 1 1 29 29 HIS CA C 13 55.760 0.20 1.000 1 . . . . A 29 HIS CA . 30390 1 339 . 1 1 29 29 HIS CB C 13 29.430 0.20 1.000 1 . . . . A 29 HIS CB . 30390 1 340 . 1 1 29 29 HIS N N 15 119.981 0.20 1.000 1 . . . . A 29 HIS N . 30390 1 341 . 1 1 30 30 ASP H H 1 8.444 0.02 1.000 1 . . . . A 30 ASP H . 30390 1 342 . 1 1 30 30 ASP HA H 1 4.526 0.02 1.000 1 . . . . A 30 ASP HA . 30390 1 343 . 1 1 30 30 ASP HB2 H 1 2.612 0.02 0.798 2 . . . . A 30 ASP HB2 . 30390 1 344 . 1 1 30 30 ASP HB3 H 1 2.612 0.02 0.791 2 . . . . A 30 ASP HB3 . 30390 1 345 . 1 1 30 30 ASP C C 13 176.216 0.20 1.000 1 . . . . A 30 ASP C . 30390 1 346 . 1 1 30 30 ASP CA C 13 54.830 0.20 0.627 1 . . . . A 30 ASP CA . 30390 1 347 . 1 1 30 30 ASP CB C 13 41.040 0.20 1.000 1 . . . . A 30 ASP CB . 30390 1 348 . 1 1 30 30 ASP N N 15 120.802 0.20 1.000 1 . . . . A 30 ASP N . 30390 1 349 . 1 1 31 31 HIS H H 1 8.431 0.02 1.000 1 . . . . A 31 HIS H . 30390 1 350 . 1 1 31 31 HIS HA H 1 4.629 0.02 1.000 1 . . . . A 31 HIS HA . 30390 1 351 . 1 1 31 31 HIS HB2 H 1 3.224 0.02 0.793 2 . . . . A 31 HIS HB2 . 30390 1 352 . 1 1 31 31 HIS HB3 H 1 3.224 0.02 0.792 2 . . . . A 31 HIS HB3 . 30390 1 353 . 1 1 31 31 HIS C C 13 174.678 0.20 1.000 1 . . . . A 31 HIS C . 30390 1 354 . 1 1 31 31 HIS CA C 13 56.230 0.20 1.000 1 . . . . A 31 HIS CA . 30390 1 355 . 1 1 31 31 HIS CB C 13 29.450 0.20 1.000 1 . . . . A 31 HIS CB . 30390 1 356 . 1 1 31 31 HIS N N 15 118.362 0.20 1.000 1 . . . . A 31 HIS N . 30390 1 357 . 1 1 32 32 ASP H H 1 8.394 0.02 1.000 1 . . . . A 32 ASP H . 30390 1 358 . 1 1 32 32 ASP HA H 1 4.589 0.02 1.000 1 . . . . A 32 ASP HA . 30390 1 359 . 1 1 32 32 ASP HB2 H 1 2.782 0.02 0.844 2 . . . . A 32 ASP HB2 . 30390 1 360 . 1 1 32 32 ASP HB3 H 1 2.649 0.02 0.870 2 . . . . A 32 ASP HB3 . 30390 1 361 . 1 1 32 32 ASP C C 13 176.641 0.20 1.000 1 . . . . A 32 ASP C . 30390 1 362 . 1 1 32 32 ASP CA C 13 54.650 0.20 1.000 1 . . . . A 32 ASP CA . 30390 1 363 . 1 1 32 32 ASP CB C 13 40.940 0.20 1.000 1 . . . . A 32 ASP CB . 30390 1 364 . 1 1 32 32 ASP N N 15 122.147 0.20 1.000 1 . . . . A 32 ASP N . 30390 1 365 . 1 1 33 33 GLU H H 1 8.580 0.02 1.000 1 . . . . A 33 GLU H . 30390 1 366 . 1 1 33 33 GLU HA H 1 4.118 0.02 0.600 1 . . . . A 33 GLU HA . 30390 1 367 . 1 1 33 33 GLU HB2 H 1 2.037 0.02 0.478 2 . . . . A 33 GLU HB2 . 30390 1 368 . 1 1 33 33 GLU HB3 H 1 2.037 0.02 0.625 2 . . . . A 33 GLU HB3 . 30390 1 369 . 1 1 33 33 GLU HG2 H 1 2.285 0.02 0.533 2 . . . . A 33 GLU HG2 . 30390 1 370 . 1 1 33 33 GLU HG3 H 1 2.285 0.02 0.471 2 . . . . A 33 GLU HG3 . 30390 1 371 . 1 1 33 33 GLU C C 13 176.725 0.20 0.999 1 . . . . A 33 GLU C . 30390 1 372 . 1 1 33 33 GLU CA C 13 58.150 0.20 0.565 1 . . . . A 33 GLU CA . 30390 1 373 . 1 1 33 33 GLU CB C 13 29.990 0.20 1.000 1 . . . . A 33 GLU CB . 30390 1 374 . 1 1 33 33 GLU CG C 13 36.460 0.20 1.000 1 . . . . A 33 GLU CG . 30390 1 375 . 1 1 33 33 GLU N N 15 122.349 0.20 1.000 1 . . . . A 33 GLU N . 30390 1 376 . 1 1 34 34 GLU H H 1 8.309 0.02 0.999 1 . . . . A 34 GLU H . 30390 1 377 . 1 1 34 34 GLU HA H 1 4.137 0.02 1.000 1 . . . . A 34 GLU HA . 30390 1 378 . 1 1 34 34 GLU HB2 H 1 2.056 0.02 0.482 2 . . . . A 34 GLU HB2 . 30390 1 379 . 1 1 34 34 GLU HB3 H 1 2.056 0.02 0.435 2 . . . . A 34 GLU HB3 . 30390 1 380 . 1 1 34 34 GLU HG2 H 1 2.287 0.02 0.495 2 . . . . A 34 GLU HG2 . 30390 1 381 . 1 1 34 34 GLU HG3 H 1 2.287 0.02 0.455 2 . . . . A 34 GLU HG3 . 30390 1 382 . 1 1 34 34 GLU C C 13 177.795 0.20 1.000 1 . . . . A 34 GLU C . 30390 1 383 . 1 1 34 34 GLU CA C 13 55.950 0.20 1.000 1 . . . . A 34 GLU CA . 30390 1 384 . 1 1 34 34 GLU CB C 13 29.640 0.20 1.000 1 . . . . A 34 GLU CB . 30390 1 385 . 1 1 34 34 GLU CG C 13 36.340 0.20 1.000 1 . . . . A 34 GLU CG . 30390 1 386 . 1 1 34 34 GLU N N 15 120.581 0.20 0.999 1 . . . . A 34 GLU N . 30390 1 387 . 1 1 35 35 ALA H H 1 8.072 0.02 1.000 1 . . . . A 35 ALA H . 30390 1 388 . 1 1 35 35 ALA HA H 1 4.126 0.02 1.000 1 . . . . A 35 ALA HA . 30390 1 389 . 1 1 35 35 ALA HB1 H 1 1.429 0.02 1.000 1 . . . . A 35 ALA HB1 . 30390 1 390 . 1 1 35 35 ALA HB2 H 1 1.429 0.02 1.000 1 . . . . A 35 ALA HB2 . 30390 1 391 . 1 1 35 35 ALA HB3 H 1 1.429 0.02 1.000 1 . . . . A 35 ALA HB3 . 30390 1 392 . 1 1 35 35 ALA C C 13 179.952 0.20 1.000 1 . . . . A 35 ALA C . 30390 1 393 . 1 1 35 35 ALA CA C 13 54.220 0.20 1.000 1 . . . . A 35 ALA CA . 30390 1 394 . 1 1 35 35 ALA CB C 13 18.610 0.20 1.000 1 . . . . A 35 ALA CB . 30390 1 395 . 1 1 35 35 ALA N N 15 123.107 0.20 1.000 1 . . . . A 35 ALA N . 30390 1 396 . 1 1 36 36 GLU H H 1 8.153 0.02 1.000 1 . . . . A 36 GLU H . 30390 1 397 . 1 1 36 36 GLU HA H 1 4.143 0.02 0.654 1 . . . . A 36 GLU HA . 30390 1 398 . 1 1 36 36 GLU HB2 H 1 2.056 0.02 0.355 2 . . . . A 36 GLU HB2 . 30390 1 399 . 1 1 36 36 GLU HB3 H 1 2.056 0.02 0.355 2 . . . . A 36 GLU HB3 . 30390 1 400 . 1 1 36 36 GLU HG2 H 1 2.311 0.02 0.476 2 . . . . A 36 GLU HG2 . 30390 1 401 . 1 1 36 36 GLU HG3 H 1 2.311 0.02 0.410 2 . . . . A 36 GLU HG3 . 30390 1 402 . 1 1 36 36 GLU C C 13 177.979 0.20 0.570 1 . . . . A 36 GLU C . 30390 1 403 . 1 1 36 36 GLU CA C 13 58.250 0.20 1.000 1 . . . . A 36 GLU CA . 30390 1 404 . 1 1 36 36 GLU CB C 13 29.790 0.20 0.693 1 . . . . A 36 GLU CB . 30390 1 405 . 1 1 36 36 GLU CG C 13 36.400 0.20 0.776 1 . . . . A 36 GLU CG . 30390 1 406 . 1 1 36 36 GLU N N 15 118.847 0.20 1.000 1 . . . . A 36 GLU N . 30390 1 407 . 1 1 37 37 ARG H H 1 8.066 0.02 0.570 1 . . . . A 37 ARG H . 30390 1 408 . 1 1 37 37 ARG HA H 1 4.171 0.02 0.688 1 . . . . A 37 ARG HA . 30390 1 409 . 1 1 37 37 ARG HB2 H 1 1.884 0.02 0.388 2 . . . . A 37 ARG HB2 . 30390 1 410 . 1 1 37 37 ARG HB3 H 1 1.884 0.02 0.432 2 . . . . A 37 ARG HB3 . 30390 1 411 . 1 1 37 37 ARG HG2 H 1 1.432 0.02 0.399 2 . . . . A 37 ARG HG2 . 30390 1 412 . 1 1 37 37 ARG HG3 H 1 1.432 0.02 0.480 2 . . . . A 37 ARG HG3 . 30390 1 413 . 1 1 37 37 ARG C C 13 177.858 0.20 0.486 1 . . . . A 37 ARG C . 30390 1 414 . 1 1 37 37 ARG CA C 13 58.270 0.20 1.000 1 . . . . A 37 ARG CA . 30390 1 415 . 1 1 37 37 ARG CB C 13 30.100 0.20 1.000 1 . . . . A 37 ARG CB . 30390 1 416 . 1 1 37 37 ARG CG C 13 27.310 0.20 1.000 1 . . . . A 37 ARG CG . 30390 1 417 . 1 1 37 37 ARG N N 15 120.926 0.20 0.570 1 . . . . A 37 ARG N . 30390 1 418 . 1 1 38 38 LYS H H 1 8.071 0.02 0.486 1 . . . . A 38 LYS H . 30390 1 419 . 1 1 38 38 LYS HA H 1 4.134 0.02 1.000 1 . . . . A 38 LYS HA . 30390 1 420 . 1 1 38 38 LYS HB2 H 1 1.844 0.02 0.451 2 . . . . A 38 LYS HB2 . 30390 1 421 . 1 1 38 38 LYS HB3 H 1 1.844 0.02 0.461 2 . . . . A 38 LYS HB3 . 30390 1 422 . 1 1 38 38 LYS HG2 H 1 1.471 0.02 0.469 2 . . . . A 38 LYS HG2 . 30390 1 423 . 1 1 38 38 LYS HG3 H 1 1.471 0.02 0.482 2 . . . . A 38 LYS HG3 . 30390 1 424 . 1 1 38 38 LYS C C 13 177.485 0.20 1.000 1 . . . . A 38 LYS C . 30390 1 425 . 1 1 38 38 LYS CA C 13 57.880 0.20 1.000 1 . . . . A 38 LYS CA . 30390 1 426 . 1 1 38 38 LYS CB C 13 32.580 0.20 1.000 1 . . . . A 38 LYS CB . 30390 1 427 . 1 1 38 38 LYS CG C 13 25.010 0.20 1.000 1 . . . . A 38 LYS CG . 30390 1 428 . 1 1 38 38 LYS CD C 13 29.010 0.20 1.000 1 . . . . A 38 LYS CD . 30390 1 429 . 1 1 38 38 LYS CE C 13 41.170 0.20 1.000 1 . . . . A 38 LYS CE . 30390 1 430 . 1 1 38 38 LYS N N 15 123.300 0.20 0.486 1 . . . . A 38 LYS N . 30390 1 431 . 1 1 39 39 ALA H H 1 7.997 0.02 1.000 1 . . . . A 39 ALA H . 30390 1 432 . 1 1 39 39 ALA HA H 1 4.233 0.02 1.000 1 . . . . A 39 ALA HA . 30390 1 433 . 1 1 39 39 ALA HB1 H 1 1.450 0.02 1.000 1 . . . . A 39 ALA HB1 . 30390 1 434 . 1 1 39 39 ALA HB2 H 1 1.450 0.02 1.000 1 . . . . A 39 ALA HB2 . 30390 1 435 . 1 1 39 39 ALA HB3 H 1 1.450 0.02 1.000 1 . . . . A 39 ALA HB3 . 30390 1 436 . 1 1 39 39 ALA C C 13 179.233 0.20 1.000 1 . . . . A 39 ALA C . 30390 1 437 . 1 1 39 39 ALA CA C 13 53.780 0.20 1.000 1 . . . . A 39 ALA CA . 30390 1 438 . 1 1 39 39 ALA CB C 13 18.510 0.20 1.000 1 . . . . A 39 ALA CB . 30390 1 439 . 1 1 39 39 ALA N N 15 122.272 0.20 1.000 1 . . . . A 39 ALA N . 30390 1 440 . 1 1 40 40 LEU H H 1 7.872 0.02 1.000 1 . . . . A 40 LEU H . 30390 1 441 . 1 1 40 40 LEU HA H 1 4.209 0.02 1.000 1 . . . . A 40 LEU HA . 30390 1 442 . 1 1 40 40 LEU HB2 H 1 1.729 0.02 0.453 2 . . . . A 40 LEU HB2 . 30390 1 443 . 1 1 40 40 LEU HB3 H 1 1.729 0.02 0.393 2 . . . . A 40 LEU HB3 . 30390 1 444 . 1 1 40 40 LEU HD11 H 1 0.914 0.02 0.592 2 . . . . A 40 LEU HD11 . 30390 1 445 . 1 1 40 40 LEU HD12 H 1 0.914 0.02 0.592 2 . . . . A 40 LEU HD12 . 30390 1 446 . 1 1 40 40 LEU HD13 H 1 0.914 0.02 0.592 2 . . . . A 40 LEU HD13 . 30390 1 447 . 1 1 40 40 LEU HD21 H 1 0.914 0.02 0.577 2 . . . . A 40 LEU HD21 . 30390 1 448 . 1 1 40 40 LEU HD22 H 1 0.914 0.02 0.577 2 . . . . A 40 LEU HD22 . 30390 1 449 . 1 1 40 40 LEU HD23 H 1 0.914 0.02 0.577 2 . . . . A 40 LEU HD23 . 30390 1 450 . 1 1 40 40 LEU C C 13 178.427 0.20 1.000 1 . . . . A 40 LEU C . 30390 1 451 . 1 1 40 40 LEU CA C 13 56.770 0.20 1.000 1 . . . . A 40 LEU CA . 30390 1 452 . 1 1 40 40 LEU CB C 13 42.150 0.20 1.000 1 . . . . A 40 LEU CB . 30390 1 453 . 1 1 40 40 LEU CG C 13 26.890 0.20 0.857 1 . . . . A 40 LEU CG . 30390 1 454 . 1 1 40 40 LEU CD1 C 13 24.770 0.20 0.718 2 . . . . A 40 LEU CD1 . 30390 1 455 . 1 1 40 40 LEU CD2 C 13 23.750 0.20 0.691 2 . . . . A 40 LEU CD2 . 30390 1 456 . 1 1 40 40 LEU N N 15 119.692 0.20 1.000 1 . . . . A 40 LEU N . 30390 1 457 . 1 1 41 41 GLU H H 1 8.141 0.02 1.000 1 . . . . A 41 GLU H . 30390 1 458 . 1 1 41 41 GLU HA H 1 4.104 0.02 0.601 1 . . . . A 41 GLU HA . 30390 1 459 . 1 1 41 41 GLU HB2 H 1 2.061 0.02 0.354 2 . . . . A 41 GLU HB2 . 30390 1 460 . 1 1 41 41 GLU HB3 H 1 2.061 0.02 0.359 2 . . . . A 41 GLU HB3 . 30390 1 461 . 1 1 41 41 GLU HG2 H 1 2.326 0.02 0.366 2 . . . . A 41 GLU HG2 . 30390 1 462 . 1 1 41 41 GLU HG3 H 1 2.326 0.02 0.405 2 . . . . A 41 GLU HG3 . 30390 1 463 . 1 1 41 41 GLU C C 13 177.700 0.20 0.382 1 . . . . A 41 GLU C . 30390 1 464 . 1 1 41 41 GLU CA C 13 57.940 0.20 1.000 1 . . . . A 41 GLU CA . 30390 1 465 . 1 1 41 41 GLU CB C 13 29.930 0.20 0.603 1 . . . . A 41 GLU CB . 30390 1 466 . 1 1 41 41 GLU CG C 13 36.380 0.20 0.603 1 . . . . A 41 GLU CG . 30390 1 467 . 1 1 41 41 GLU N N 15 120.139 0.20 1.000 1 . . . . A 41 GLU N . 30390 1 468 . 1 1 42 42 ASP H H 1 8.314 0.02 0.382 1 . . . . A 42 ASP H . 30390 1 469 . 1 1 42 42 ASP HA H 1 4.521 0.02 1.000 1 . . . . A 42 ASP HA . 30390 1 470 . 1 1 42 42 ASP HB2 H 1 2.690 0.02 0.889 2 . . . . A 42 ASP HB2 . 30390 1 471 . 1 1 42 42 ASP HB3 H 1 2.690 0.02 0.499 2 . . . . A 42 ASP HB3 . 30390 1 472 . 1 1 42 42 ASP C C 13 177.163 0.20 1.000 1 . . . . A 42 ASP C . 30390 1 473 . 1 1 42 42 ASP CA C 13 55.430 0.20 0.605 1 . . . . A 42 ASP CA . 30390 1 474 . 1 1 42 42 ASP CB C 13 40.790 0.20 0.389 1 . . . . A 42 ASP CB . 30390 1 475 . 1 1 42 42 ASP N N 15 120.600 0.20 0.382 1 . . . . A 42 ASP N . 30390 1 476 . 1 1 43 43 LYS H H 1 8.000 0.02 1.000 1 . . . . A 43 LYS H . 30390 1 477 . 1 1 43 43 LYS HA H 1 4.244 0.02 1.000 1 . . . . A 43 LYS HA . 30390 1 478 . 1 1 43 43 LYS HB2 H 1 1.881 0.02 0.473 2 . . . . A 43 LYS HB2 . 30390 1 479 . 1 1 43 43 LYS HB3 H 1 1.881 0.02 0.475 2 . . . . A 43 LYS HB3 . 30390 1 480 . 1 1 43 43 LYS HG2 H 1 1.476 0.02 0.468 2 . . . . A 43 LYS HG2 . 30390 1 481 . 1 1 43 43 LYS HG3 H 1 1.476 0.02 0.488 2 . . . . A 43 LYS HG3 . 30390 1 482 . 1 1 43 43 LYS C C 13 177.541 0.20 1.000 1 . . . . A 43 LYS C . 30390 1 483 . 1 1 43 43 LYS CA C 13 57.250 0.20 1.000 1 . . . . A 43 LYS CA . 30390 1 484 . 1 1 43 43 LYS CB C 13 32.650 0.20 1.000 1 . . . . A 43 LYS CB . 30390 1 485 . 1 1 43 43 LYS CG C 13 24.880 0.20 1.000 1 . . . . A 43 LYS CG . 30390 1 486 . 1 1 43 43 LYS CD C 13 29.170 0.20 1.000 1 . . . . A 43 LYS CD . 30390 1 487 . 1 1 43 43 LYS CE C 13 42.200 0.20 1.000 1 . . . . A 43 LYS CE . 30390 1 488 . 1 1 43 43 LYS N N 15 120.696 0.20 1.000 1 . . . . A 43 LYS N . 30390 1 489 . 1 1 44 44 LEU H H 1 8.088 0.02 1.000 1 . . . . A 44 LEU H . 30390 1 490 . 1 1 44 44 LEU HA H 1 4.262 0.02 1.000 1 . . . . A 44 LEU HA . 30390 1 491 . 1 1 44 44 LEU HB2 H 1 1.730 0.02 0.524 2 . . . . A 44 LEU HB2 . 30390 1 492 . 1 1 44 44 LEU HB3 H 1 1.589 0.02 0.514 2 . . . . A 44 LEU HB3 . 30390 1 493 . 1 1 44 44 LEU HD11 H 1 0.895 0.02 0.636 2 . . . . A 44 LEU HD11 . 30390 1 494 . 1 1 44 44 LEU HD12 H 1 0.895 0.02 0.636 2 . . . . A 44 LEU HD12 . 30390 1 495 . 1 1 44 44 LEU HD13 H 1 0.895 0.02 0.636 2 . . . . A 44 LEU HD13 . 30390 1 496 . 1 1 44 44 LEU HD21 H 1 0.895 0.02 0.631 2 . . . . A 44 LEU HD21 . 30390 1 497 . 1 1 44 44 LEU HD22 H 1 0.895 0.02 0.631 2 . . . . A 44 LEU HD22 . 30390 1 498 . 1 1 44 44 LEU HD23 H 1 0.895 0.02 0.631 2 . . . . A 44 LEU HD23 . 30390 1 499 . 1 1 44 44 LEU C C 13 177.755 0.20 1.000 1 . . . . A 44 LEU C . 30390 1 500 . 1 1 44 44 LEU CA C 13 55.810 0.20 1.000 1 . . . . A 44 LEU CA . 30390 1 501 . 1 1 44 44 LEU CB C 13 42.010 0.20 1.000 1 . . . . A 44 LEU CB . 30390 1 502 . 1 1 44 44 LEU CG C 13 26.890 0.20 1.000 1 . . . . A 44 LEU CG . 30390 1 503 . 1 1 44 44 LEU CD1 C 13 25.060 0.20 1.000 2 . . . . A 44 LEU CD1 . 30390 1 504 . 1 1 44 44 LEU CD2 C 13 23.380 0.20 1.000 2 . . . . A 44 LEU CD2 . 30390 1 505 . 1 1 44 44 LEU N N 15 121.252 0.20 1.000 1 . . . . A 44 LEU N . 30390 1 506 . 1 1 45 45 ALA H H 1 7.977 0.02 1.000 1 . . . . A 45 ALA H . 30390 1 507 . 1 1 45 45 ALA HA H 1 4.244 0.02 1.000 1 . . . . A 45 ALA HA . 30390 1 508 . 1 1 45 45 ALA HB1 H 1 1.422 0.02 1.000 1 . . . . A 45 ALA HB1 . 30390 1 509 . 1 1 45 45 ALA HB2 H 1 1.422 0.02 1.000 1 . . . . A 45 ALA HB2 . 30390 1 510 . 1 1 45 45 ALA HB3 H 1 1.422 0.02 1.000 1 . . . . A 45 ALA HB3 . 30390 1 511 . 1 1 45 45 ALA C C 13 177.788 0.20 1.000 1 . . . . A 45 ALA C . 30390 1 512 . 1 1 45 45 ALA CA C 13 52.970 0.20 1.000 1 . . . . A 45 ALA CA . 30390 1 513 . 1 1 45 45 ALA CB C 13 19.120 0.20 1.000 1 . . . . A 45 ALA CB . 30390 1 514 . 1 1 45 45 ALA N N 15 123.184 0.20 1.000 1 . . . . A 45 ALA N . 30390 1 515 . 1 1 46 46 ASP H H 1 8.119 0.02 1.000 1 . . . . A 46 ASP H . 30390 1 516 . 1 1 46 46 ASP HA H 1 4.545 0.02 1.000 1 . . . . A 46 ASP HA . 30390 1 517 . 1 1 46 46 ASP HB2 H 1 2.692 0.02 0.713 2 . . . . A 46 ASP HB2 . 30390 1 518 . 1 1 46 46 ASP HB3 H 1 2.692 0.02 0.720 2 . . . . A 46 ASP HB3 . 30390 1 519 . 1 1 46 46 ASP C C 13 176.467 0.20 0.406 1 . . . . A 46 ASP C . 30390 1 520 . 1 1 46 46 ASP CA C 13 54.640 0.20 0.266 1 . . . . A 46 ASP CA . 30390 1 521 . 1 1 46 46 ASP CB C 13 41.110 0.20 1.000 1 . . . . A 46 ASP CB . 30390 1 522 . 1 1 46 46 ASP N N 15 118.989 0.20 1.000 1 . . . . A 46 ASP N . 30390 1 523 . 1 1 47 47 LYS H H 1 8.156 0.02 0.406 1 . . . . A 47 LYS H . 30390 1 524 . 1 1 47 47 LYS HA H 1 4.282 0.02 0.589 1 . . . . A 47 LYS HA . 30390 1 525 . 1 1 47 47 LYS HB2 H 1 1.836 0.02 0.370 2 . . . . A 47 LYS HB2 . 30390 1 526 . 1 1 47 47 LYS HB3 H 1 1.836 0.02 0.438 2 . . . . A 47 LYS HB3 . 30390 1 527 . 1 1 47 47 LYS HG2 H 1 1.430 0.02 0.380 2 . . . . A 47 LYS HG2 . 30390 1 528 . 1 1 47 47 LYS HG3 H 1 1.430 0.02 0.434 2 . . . . A 47 LYS HG3 . 30390 1 529 . 1 1 47 47 LYS HE2 H 1 2.975 0.02 0.453 2 . . . . A 47 LYS HE2 . 30390 1 530 . 1 1 47 47 LYS HE3 H 1 2.975 0.02 0.465 2 . . . . A 47 LYS HE3 . 30390 1 531 . 1 1 47 47 LYS C C 13 177.856 0.20 0.387 1 . . . . A 47 LYS C . 30390 1 532 . 1 1 47 47 LYS CA C 13 56.510 0.20 1.000 1 . . . . A 47 LYS CA . 30390 1 533 . 1 1 47 47 LYS CB C 13 32.720 0.20 1.000 1 . . . . A 47 LYS CB . 30390 1 534 . 1 1 47 47 LYS CG C 13 24.650 0.20 0.866 1 . . . . A 47 LYS CG . 30390 1 535 . 1 1 47 47 LYS CE C 13 42.150 0.20 0.596 1 . . . . A 47 LYS CE . 30390 1 536 . 1 1 47 47 LYS N N 15 121.191 0.20 0.406 1 . . . . A 47 LYS N . 30390 1 537 . 1 1 48 48 GLN H H 1 8.304 0.02 0.387 1 . . . . A 48 GLN H . 30390 1 538 . 1 1 48 48 GLN HA H 1 4.263 0.02 1.000 1 . . . . A 48 GLN HA . 30390 1 539 . 1 1 48 48 GLN HB2 H 1 2.015 0.02 0.496 2 . . . . A 48 GLN HB2 . 30390 1 540 . 1 1 48 48 GLN HB3 H 1 2.015 0.02 0.401 2 . . . . A 48 GLN HB3 . 30390 1 541 . 1 1 48 48 GLN HG2 H 1 2.331 0.02 0.495 2 . . . . A 48 GLN HG2 . 30390 1 542 . 1 1 48 48 GLN HG3 H 1 2.331 0.02 0.488 2 . . . . A 48 GLN HG3 . 30390 1 543 . 1 1 48 48 GLN C C 13 175.979 0.20 0.730 1 . . . . A 48 GLN C . 30390 1 544 . 1 1 48 48 GLN CA C 13 56.030 0.20 1.000 1 . . . . A 48 GLN CA . 30390 1 545 . 1 1 48 48 GLN CB C 13 29.420 0.20 0.377 1 . . . . A 48 GLN CB . 30390 1 546 . 1 1 48 48 GLN CG C 13 33.880 0.20 1.000 1 . . . . A 48 GLN CG . 30390 1 547 . 1 1 48 48 GLN N N 15 120.500 0.20 0.387 1 . . . . A 48 GLN N . 30390 1 548 . 1 1 49 49 GLU H H 1 8.393 0.02 0.730 1 . . . . A 49 GLU H . 30390 1 549 . 1 1 49 49 GLU HA H 1 4.202 0.02 1.000 1 . . . . A 49 GLU HA . 30390 1 550 . 1 1 49 49 GLU HB2 H 1 1.903 0.02 0.523 2 . . . . A 49 GLU HB2 . 30390 1 551 . 1 1 49 49 GLU HB3 H 1 1.903 0.02 0.491 2 . . . . A 49 GLU HB3 . 30390 1 552 . 1 1 49 49 GLU HG2 H 1 2.176 0.02 0.471 2 . . . . A 49 GLU HG2 . 30390 1 553 . 1 1 49 49 GLU HG3 H 1 2.176 0.02 0.243 2 . . . . A 49 GLU HG3 . 30390 1 554 . 1 1 49 49 GLU C C 13 176.235 0.20 0.996 1 . . . . A 49 GLU C . 30390 1 555 . 1 1 49 49 GLU CA C 13 56.850 0.20 1.000 1 . . . . A 49 GLU CA . 30390 1 556 . 1 1 49 49 GLU CB C 13 30.470 0.20 1.000 1 . . . . A 49 GLU CB . 30390 1 557 . 1 1 49 49 GLU CG C 13 36.270 0.20 1.000 1 . . . . A 49 GLU CG . 30390 1 558 . 1 1 49 49 GLU N N 15 121.445 0.20 0.730 1 . . . . A 49 GLU N . 30390 1 559 . 1 1 50 50 HIS H H 1 8.482 0.02 0.996 1 . . . . A 50 HIS H . 30390 1 560 . 1 1 50 50 HIS HA H 1 4.673 0.02 1.000 1 . . . . A 50 HIS HA . 30390 1 561 . 1 1 50 50 HIS HB2 H 1 3.189 0.02 0.868 2 . . . . A 50 HIS HB2 . 30390 1 562 . 1 1 50 50 HIS HB3 H 1 3.126 0.02 0.873 2 . . . . A 50 HIS HB3 . 30390 1 563 . 1 1 50 50 HIS C C 13 174.683 0.20 1.000 1 . . . . A 50 HIS C . 30390 1 564 . 1 1 50 50 HIS CA C 13 55.480 0.20 1.000 1 . . . . A 50 HIS CA . 30390 1 565 . 1 1 50 50 HIS CB C 13 29.460 0.20 0.494 1 . . . . A 50 HIS CB . 30390 1 566 . 1 1 50 50 HIS N N 15 119.514 0.20 0.996 1 . . . . A 50 HIS N . 30390 1 567 . 1 1 51 51 LEU H H 1 8.304 0.02 1.000 1 . . . . A 51 LEU H . 30390 1 568 . 1 1 51 51 LEU HA H 1 4.349 0.02 1.000 1 . . . . A 51 LEU HA . 30390 1 569 . 1 1 51 51 LEU HB2 H 1 1.578 0.02 0.597 2 . . . . A 51 LEU HB2 . 30390 1 570 . 1 1 51 51 LEU HB3 H 1 1.578 0.02 0.406 2 . . . . A 51 LEU HB3 . 30390 1 571 . 1 1 51 51 LEU HD11 H 1 0.855 0.02 0.610 2 . . . . A 51 LEU HD11 . 30390 1 572 . 1 1 51 51 LEU HD12 H 1 0.855 0.02 0.610 2 . . . . A 51 LEU HD12 . 30390 1 573 . 1 1 51 51 LEU HD13 H 1 0.855 0.02 0.610 2 . . . . A 51 LEU HD13 . 30390 1 574 . 1 1 51 51 LEU HD21 H 1 0.855 0.02 0.606 2 . . . . A 51 LEU HD21 . 30390 1 575 . 1 1 51 51 LEU HD22 H 1 0.855 0.02 0.606 2 . . . . A 51 LEU HD22 . 30390 1 576 . 1 1 51 51 LEU HD23 H 1 0.855 0.02 0.606 2 . . . . A 51 LEU HD23 . 30390 1 577 . 1 1 51 51 LEU C C 13 177.103 0.20 1.000 1 . . . . A 51 LEU C . 30390 1 578 . 1 1 51 51 LEU CA C 13 55.220 0.20 1.000 1 . . . . A 51 LEU CA . 30390 1 579 . 1 1 51 51 LEU CB C 13 42.300 0.20 1.000 1 . . . . A 51 LEU CB . 30390 1 580 . 1 1 51 51 LEU CG C 13 26.910 0.20 1.000 1 . . . . A 51 LEU CG . 30390 1 581 . 1 1 51 51 LEU CD1 C 13 24.830 0.20 1.000 2 . . . . A 51 LEU CD1 . 30390 1 582 . 1 1 51 51 LEU CD2 C 13 23.420 0.20 1.000 2 . . . . A 51 LEU CD2 . 30390 1 583 . 1 1 51 51 LEU N N 15 123.832 0.20 1.000 1 . . . . A 51 LEU N . 30390 1 584 . 1 1 52 52 ASP H H 1 8.422 0.02 1.000 1 . . . . A 52 ASP H . 30390 1 585 . 1 1 52 52 ASP HA H 1 4.547 0.02 1.000 1 . . . . A 52 ASP HA . 30390 1 586 . 1 1 52 52 ASP HB2 H 1 2.676 0.02 1.000 2 . . . . A 52 ASP HB2 . 30390 1 587 . 1 1 52 52 ASP HB3 H 1 2.676 0.02 0.389 2 . . . . A 52 ASP HB3 . 30390 1 588 . 1 1 52 52 ASP C C 13 176.910 0.20 0.948 1 . . . . A 52 ASP C . 30390 1 589 . 1 1 52 52 ASP CA C 13 54.590 0.20 0.604 1 . . . . A 52 ASP CA . 30390 1 590 . 1 1 52 52 ASP CB C 13 41.220 0.20 1.000 1 . . . . A 52 ASP CB . 30390 1 591 . 1 1 52 52 ASP N N 15 121.125 0.20 1.000 1 . . . . A 52 ASP N . 30390 1 592 . 1 1 53 53 GLY H H 1 8.352 0.02 0.948 1 . . . . A 53 GLY H . 30390 1 593 . 1 1 53 53 GLY HA2 H 1 3.916 0.02 1.000 2 . . . . A 53 GLY HA2 . 30390 1 594 . 1 1 53 53 GLY HA3 H 1 3.916 0.02 1.000 2 . . . . A 53 GLY HA3 . 30390 1 595 . 1 1 53 53 GLY C C 13 174.100 0.20 1.000 1 . . . . A 53 GLY C . 30390 1 596 . 1 1 53 53 GLY CA C 13 45.640 0.20 0.546 1 . . . . A 53 GLY CA . 30390 1 597 . 1 1 53 53 GLY N N 15 109.658 0.20 0.948 1 . . . . A 53 GLY N . 30390 1 598 . 1 1 54 54 ALA H H 1 8.072 0.02 1.000 1 . . . . A 54 ALA H . 30390 1 599 . 1 1 54 54 ALA HA H 1 4.272 0.02 0.646 1 . . . . A 54 ALA HA . 30390 1 600 . 1 1 54 54 ALA HB1 H 1 1.366 0.02 1.000 1 . . . . A 54 ALA HB1 . 30390 1 601 . 1 1 54 54 ALA HB2 H 1 1.366 0.02 1.000 1 . . . . A 54 ALA HB2 . 30390 1 602 . 1 1 54 54 ALA HB3 H 1 1.366 0.02 1.000 1 . . . . A 54 ALA HB3 . 30390 1 603 . 1 1 54 54 ALA C C 13 177.637 0.20 1.000 1 . . . . A 54 ALA C . 30390 1 604 . 1 1 54 54 ALA CA C 13 52.560 0.20 1.000 1 . . . . A 54 ALA CA . 30390 1 605 . 1 1 54 54 ALA CB C 13 19.300 0.20 1.000 1 . . . . A 54 ALA CB . 30390 1 606 . 1 1 54 54 ALA N N 15 123.200 0.20 1.000 1 . . . . A 54 ALA N . 30390 1 607 . 1 1 55 55 LEU H H 1 8.082 0.02 1.000 1 . . . . A 55 LEU H . 30390 1 608 . 1 1 55 55 LEU HA H 1 4.264 0.02 1.000 1 . . . . A 55 LEU HA . 30390 1 609 . 1 1 55 55 LEU HB2 H 1 1.602 0.02 0.538 2 . . . . A 55 LEU HB2 . 30390 1 610 . 1 1 55 55 LEU HB3 H 1 1.462 0.02 0.524 2 . . . . A 55 LEU HB3 . 30390 1 611 . 1 1 55 55 LEU HD11 H 1 0.870 0.02 0.567 2 . . . . A 55 LEU HD11 . 30390 1 612 . 1 1 55 55 LEU HD12 H 1 0.870 0.02 0.567 2 . . . . A 55 LEU HD12 . 30390 1 613 . 1 1 55 55 LEU HD13 H 1 0.870 0.02 0.567 2 . . . . A 55 LEU HD13 . 30390 1 614 . 1 1 55 55 LEU HD21 H 1 0.870 0.02 0.673 2 . . . . A 55 LEU HD21 . 30390 1 615 . 1 1 55 55 LEU HD22 H 1 0.870 0.02 0.673 2 . . . . A 55 LEU HD22 . 30390 1 616 . 1 1 55 55 LEU HD23 H 1 0.870 0.02 0.673 2 . . . . A 55 LEU HD23 . 30390 1 617 . 1 1 55 55 LEU C C 13 176.879 0.20 1.000 1 . . . . A 55 LEU C . 30390 1 618 . 1 1 55 55 LEU CA C 13 55.130 0.20 1.000 1 . . . . A 55 LEU CA . 30390 1 619 . 1 1 55 55 LEU CB C 13 42.230 0.20 1.000 1 . . . . A 55 LEU CB . 30390 1 620 . 1 1 55 55 LEU CG C 13 26.990 0.20 1.000 1 . . . . A 55 LEU CG . 30390 1 621 . 1 1 55 55 LEU CD1 C 13 24.790 0.20 0.853 2 . . . . A 55 LEU CD1 . 30390 1 622 . 1 1 55 55 LEU CD2 C 13 23.560 0.20 0.885 2 . . . . A 55 LEU CD2 . 30390 1 623 . 1 1 55 55 LEU N N 15 120.805 0.20 1.000 1 . . . . A 55 LEU N . 30390 1 624 . 1 1 56 56 ARG H H 1 8.084 0.02 1.000 1 . . . . A 56 ARG H . 30390 1 625 . 1 1 56 56 ARG HA H 1 4.303 0.02 1.000 1 . . . . A 56 ARG HA . 30390 1 626 . 1 1 56 56 ARG HB2 H 1 1.772 0.02 0.545 2 . . . . A 56 ARG HB2 . 30390 1 627 . 1 1 56 56 ARG HB3 H 1 1.640 0.02 0.446 2 . . . . A 56 ARG HB3 . 30390 1 628 . 1 1 56 56 ARG HG2 H 1 1.516 0.02 0.426 2 . . . . A 56 ARG HG2 . 30390 1 629 . 1 1 56 56 ARG HG3 H 1 1.516 0.02 0.529 2 . . . . A 56 ARG HG3 . 30390 1 630 . 1 1 56 56 ARG HD2 H 1 3.137 0.02 0.396 2 . . . . A 56 ARG HD2 . 30390 1 631 . 1 1 56 56 ARG HD3 H 1 3.137 0.02 0.798 2 . . . . A 56 ARG HD3 . 30390 1 632 . 1 1 56 56 ARG C C 13 174.762 0.20 1.000 1 . . . . A 56 ARG C . 30390 1 633 . 1 1 56 56 ARG CA C 13 55.680 0.20 1.000 1 . . . . A 56 ARG CA . 30390 1 634 . 1 1 56 56 ARG CB C 13 31.060 0.20 1.000 1 . . . . A 56 ARG CB . 30390 1 635 . 1 1 56 56 ARG CG C 13 26.990 0.20 1.000 1 . . . . A 56 ARG CG . 30390 1 636 . 1 1 56 56 ARG CD C 13 43.260 0.20 1.000 1 . . . . A 56 ARG CD . 30390 1 637 . 1 1 56 56 ARG N N 15 121.864 0.20 1.000 1 . . . . A 56 ARG N . 30390 1 638 . 1 1 57 57 TYR H H 1 7.700 0.02 1.000 1 . . . . A 57 TYR H . 30390 1 639 . 1 1 57 57 TYR HA H 1 4.374 0.02 1.000 1 . . . . A 57 TYR HA . 30390 1 640 . 1 1 57 57 TYR HB2 H 1 3.071 0.02 0.545 2 . . . . A 57 TYR HB2 . 30390 1 641 . 1 1 57 57 TYR HB3 H 1 2.845 0.02 0.446 2 . . . . A 57 TYR HB3 . 30390 1 642 . 1 1 57 57 TYR HD1 H 1 6.654 0.02 0.798 3 . . . . A 57 TYR HD1 . 30390 1 643 . 1 1 57 57 TYR HD2 H 1 6.654 0.02 0.396 3 . . . . A 57 TYR HD2 . 30390 1 644 . 1 1 57 57 TYR HE1 H 1 6.452 0.02 0.529 3 . . . . A 57 TYR HE1 . 30390 1 645 . 1 1 57 57 TYR HE2 H 1 6.452 0.02 0.426 3 . . . . A 57 TYR HE2 . 30390 1 646 . 1 1 57 57 TYR CA C 13 59.060 0.20 1.000 1 . . . . A 57 TYR CA . 30390 1 647 . 1 1 57 57 TYR CB C 13 39.570 0.20 1.000 1 . . . . A 57 TYR CB . 30390 1 648 . 1 1 57 57 TYR N N 15 126.033 0.20 1.000 1 . . . . A 57 TYR N . 30390 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 30390 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _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 ; Assignment w1 w2 Data Height Lys3N-HN 123.408 8.533 9963166 Thr4N-HN 115.500 8.401 38186840 Ile5N-HN 122.458 8.363 63440880 Gln6N-HN 122.628 8.378 64855928 Glu7N-HN 121.815 8.262 62460360 Lys8N-HN 121.293 8.343 76160096 Glu9N-HN 120.556 8.411 76094048 Gln10N-HN 119.787 8.179 64996948 Glu11N-HN 120.929 8.177 76553160 Leu12N-HN 121.357 8.054 62976312 Lys13N-HN 120.587 8.048 59411104 Asn14N-HN 118.174 8.236 46900564 Leu15N-HN 121.822 8.013 67802128 Lys16N-HN 120.728 8.156 105211920 Asp17N-HN 120.263 8.251 69437800 Asn18N-HN 119.052 8.304 57064236 Val19N-HN 120.688 8.085 143270912 Glu20N-HN 122.410 8.238 69594256 Leu21N-HN 120.920 8.029 70755968 Glu22N-HN 119.760 8.156 54000548 Arg23N-HN 120.481 8.012 60684260 Leu24N-HN 120.340 8.017 108852416 Lys25N-HN 120.035 7.978 62526392 Asn26N-HN 118.002 8.135 42851976 Glu27N-HN 120.852 8.148 53626424 Arg28N-HN 120.944 8.160 100303984 His29N-HN 119.981 8.505 13969650 Asp30N-HN 120.802 8.444 38428352 His31N-HN 118.362 8.431 25209256 Asp32N-HN 122.147 8.394 48158440 Glu33N-HN 122.349 8.580 68869056 Glu34N-HN 120.581 8.309 170934272 Ala35N-HN 123.107 8.072 112651912 Glu36N-HN 118.847 8.153 67045736 Arg37N-HN 120.926 8.066 64362560 Lys38N-HN 123.339 8.071 57276560 Ala39N-HN 122.272 7.997 73134144 Leu40N-HN 119.692 7.872 64856476 Glu41N-HN 120.139 8.141 70480216 Asp42N-HN 120.632 8.314 136651872 Lys43N-HN 120.696 8.000 63141096 Leu44N-HN 121.252 8.088 56723012 Ala45N-HN 123.184 7.977 81617392 Asp46N-HN 118.989 8.119 73774040 Lys47N-HN 121.191 8.156 38038896 Gln48N-HN 120.531 8.304 129162976 Glu49N-HN 121.445 8.393 74156544 His50N-HN 119.514 8.482 33332040 Leu51N-HN 123.832 8.304 52541076 Asp52N-HN 121.125 8.422 84426144 Gly53N-HN 109.658 8.352 60292620 Ala54N-HN 123.199 8.072 117432504 Leu55N-HN 120.805 8.082 83093240 Arg56N-HN 121.864 8.084 75792864 Tyr57N-HN 126.033 7.700 85620192 ; 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 2 . 11 ppm . . . 4.688 . . 30390 1 2 . . N 15 N 1 . 22 ppm . . . 117.8 . . 30390 1 stop_ save_