data_51519 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51519 _Entry.Title ; lambda bacteriophage protein Orf63 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-19 _Entry.Accession_date 2022-07-19 _Entry.Last_release_date 2022-07-19 _Entry.Original_release_date 2022-07-19 _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 _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 'A 6x-his tagged full length protein encoded by lambda bacterophage orf63' _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 Logan Donaldson . W. . 0000-0001-5034-2699 51519 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51519 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 183 51519 '15N chemical shifts' 41 51519 '1H chemical shifts' 266 51519 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 . . 2024-03-08 2022-07-19 update BMRB 'update entry citation' 51519 1 . . 2024-01-19 2022-07-19 original author 'original release' 51519 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51519 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38360900 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The NMR structure of the Orf63 lytic developmental protein from lambda bacteriophage ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD . _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 3793 _Citation.Page_last 3793 _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 Naushaba Khan N. . . . 51519 1 2 Tavawn Graham T. . . . 51519 1 3 Katarzyna Franciszkiewicz K. . . . 51519 1 4 Sylwia Bloch S. . . . 51519 1 5 Bozena Nejman-Falenczyk B. . . . 51519 1 6 Alicja Wegrzyn A. . . . 51519 1 7 Logan Donaldson L. W. . . 51519 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51519 _Assembly.ID 1 _Assembly.Name orf63 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 orf63 1 $entity_1 . . yes native no no . . . 51519 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'promotes lytic development' 51519 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51519 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHMDYKDDDDKHKASS VELRTSIEMAHSLAQIGIRF VPIPVETDEEFHTLAASLSQ KLEMMVAKAEADERNQV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI NP_040614.1 . orf63 . . . . . . . . . . . . . . 51519 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'promotes lytic development' 51519 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 . HIS . 51519 1 2 . HIS . 51519 1 3 . HIS . 51519 1 4 . HIS . 51519 1 5 . HIS . 51519 1 6 . HIS . 51519 1 7 . MET . 51519 1 8 . ASP . 51519 1 9 . TYR . 51519 1 10 . LYS . 51519 1 11 . ASP . 51519 1 12 . ASP . 51519 1 13 . ASP . 51519 1 14 . ASP . 51519 1 15 . LYS . 51519 1 16 . HIS . 51519 1 17 . LYS . 51519 1 18 . ALA . 51519 1 19 . SER . 51519 1 20 . SER . 51519 1 21 . VAL . 51519 1 22 . GLU . 51519 1 23 . LEU . 51519 1 24 . ARG . 51519 1 25 . THR . 51519 1 26 . SER . 51519 1 27 . ILE . 51519 1 28 . GLU . 51519 1 29 . MET . 51519 1 30 . ALA . 51519 1 31 . HIS . 51519 1 32 . SER . 51519 1 33 . LEU . 51519 1 34 . ALA . 51519 1 35 . GLN . 51519 1 36 . ILE . 51519 1 37 . GLY . 51519 1 38 . ILE . 51519 1 39 . ARG . 51519 1 40 . PHE . 51519 1 41 . VAL . 51519 1 42 . PRO . 51519 1 43 . ILE . 51519 1 44 . PRO . 51519 1 45 . VAL . 51519 1 46 . GLU . 51519 1 47 . THR . 51519 1 48 . ASP . 51519 1 49 . GLU . 51519 1 50 . GLU . 51519 1 51 . PHE . 51519 1 52 . HIS . 51519 1 53 . THR . 51519 1 54 . LEU . 51519 1 55 . ALA . 51519 1 56 . ALA . 51519 1 57 . SER . 51519 1 58 . LEU . 51519 1 59 . SER . 51519 1 60 . GLN . 51519 1 61 . LYS . 51519 1 62 . LEU . 51519 1 63 . GLU . 51519 1 64 . MET . 51519 1 65 . MET . 51519 1 66 . VAL . 51519 1 67 . ALA . 51519 1 68 . LYS . 51519 1 69 . ALA . 51519 1 70 . GLU . 51519 1 71 . ALA . 51519 1 72 . ASP . 51519 1 73 . GLU . 51519 1 74 . ARG . 51519 1 75 . ASN . 51519 1 76 . GLN . 51519 1 77 . VAL . 51519 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 . HIS 1 1 51519 1 . HIS 2 2 51519 1 . HIS 3 3 51519 1 . HIS 4 4 51519 1 . HIS 5 5 51519 1 . HIS 6 6 51519 1 . MET 7 7 51519 1 . ASP 8 8 51519 1 . TYR 9 9 51519 1 . LYS 10 10 51519 1 . ASP 11 11 51519 1 . ASP 12 12 51519 1 . ASP 13 13 51519 1 . ASP 14 14 51519 1 . LYS 15 15 51519 1 . HIS 16 16 51519 1 . LYS 17 17 51519 1 . ALA 18 18 51519 1 . SER 19 19 51519 1 . SER 20 20 51519 1 . VAL 21 21 51519 1 . GLU 22 22 51519 1 . LEU 23 23 51519 1 . ARG 24 24 51519 1 . THR 25 25 51519 1 . SER 26 26 51519 1 . ILE 27 27 51519 1 . GLU 28 28 51519 1 . MET 29 29 51519 1 . ALA 30 30 51519 1 . HIS 31 31 51519 1 . SER 32 32 51519 1 . LEU 33 33 51519 1 . ALA 34 34 51519 1 . GLN 35 35 51519 1 . ILE 36 36 51519 1 . GLY 37 37 51519 1 . ILE 38 38 51519 1 . ARG 39 39 51519 1 . PHE 40 40 51519 1 . VAL 41 41 51519 1 . PRO 42 42 51519 1 . ILE 43 43 51519 1 . PRO 44 44 51519 1 . VAL 45 45 51519 1 . GLU 46 46 51519 1 . THR 47 47 51519 1 . ASP 48 48 51519 1 . GLU 49 49 51519 1 . GLU 50 50 51519 1 . PHE 51 51 51519 1 . HIS 52 52 51519 1 . THR 53 53 51519 1 . LEU 54 54 51519 1 . ALA 55 55 51519 1 . ALA 56 56 51519 1 . SER 57 57 51519 1 . LEU 58 58 51519 1 . SER 59 59 51519 1 . GLN 60 60 51519 1 . LYS 61 61 51519 1 . LEU 62 62 51519 1 . GLU 63 63 51519 1 . MET 64 64 51519 1 . MET 65 65 51519 1 . VAL 66 66 51519 1 . ALA 67 67 51519 1 . LYS 68 68 51519 1 . ALA 69 69 51519 1 . GLU 70 70 51519 1 . ALA 71 71 51519 1 . ASP 72 72 51519 1 . GLU 73 73 51519 1 . ARG 74 74 51519 1 . ASN 75 75 51519 1 . GLN 76 76 51519 1 . VAL 77 77 51519 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51519 _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 . 38018 organism . 'lambda bacteriophage' 'Bacteriophage sp.' . . Viruses . 'lambda bacteriophage' 'lambda bacteriophage' . . . . . . . . . . . . . 51519 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51519 _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' . . . Escherichia coli . . . plasmid . . pD441NH . . . 51519 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51519 _Sample.ID 1 _Sample.Name main _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 orf63 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 51519 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 51519 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51519 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 51519 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 51519 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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 pH 7.6 . pH 51519 1 temperature 310 . K 51519 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51519 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.52 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51519 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51519 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version '10.9 Rev 2021.051.13.12' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51519 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51519 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 51519 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51519 _Software.ID 4 _Software.Type . _Software.Name Rosetta _Software.Version 2021.16.6162 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 51519 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51519 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Avance700 _NMR_spectrometer.Details 'with prodigy LN2 probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51519 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Inova600 _NMR_spectrometer.Details 'with RT probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51519 _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 no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 2 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 3 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 4 '3D CBCA(CO)NH' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 6 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 7 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 8 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 9 '3D (H)CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 10 '3D 1H-15N NOESY' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 11 '3D 1H-13C NOESY' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51519 1 12 '3D 1H-12C filtered 1H-13C edited NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51519 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 51519 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name main _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 0.00 na indirect . . . . . . 51519 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . 51519 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect . . . . . . 51519 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 51519 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name main _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' . . . 51519 1 2 '2D 1H-13C HSQC' . . . 51519 1 3 '2D 1H-13C HSQC aliphatic' . . . 51519 1 4 '3D CBCA(CO)NH' . . . 51519 1 5 '3D HNCACB' . . . 51519 1 6 '3D HN(CO)CA' . . . 51519 1 7 '3D HNCA' . . . 51519 1 8 '3D HCCH-TOCSY' . . . 51519 1 9 '3D (H)CCH-TOCSY' . . . 51519 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51519 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 26 26 SER CA C 13 61.768 0.000 . 1 . . . . . 26 SER CA . 51519 1 2 . 1 . 1 26 26 SER CB C 13 63.738 0.000 . 1 . . . . . 26 SER CB . 51519 1 3 . 1 . 1 27 27 ILE HA H 1 3.651 0.011 . 1 . . . . . 27 ILE HA . 51519 1 4 . 1 . 1 27 27 ILE HB H 1 1.860 0.008 . 1 . . . . . 27 ILE HB . 51519 1 5 . 1 . 1 27 27 ILE HG12 H 1 1.517 0.008 . 2 . . . . . 27 ILE HG12 . 51519 1 6 . 1 . 1 27 27 ILE HG13 H 1 1.120 0.013 . 2 . . . . . 27 ILE HG13 . 51519 1 7 . 1 . 1 27 27 ILE HG21 H 1 0.769 0.008 . 1 . . . . . 27 ILE HG21 . 51519 1 8 . 1 . 1 27 27 ILE HG22 H 1 0.769 0.008 . 1 . . . . . 27 ILE HG22 . 51519 1 9 . 1 . 1 27 27 ILE HG23 H 1 0.769 0.008 . 1 . . . . . 27 ILE HG23 . 51519 1 10 . 1 . 1 27 27 ILE HD11 H 1 0.666 0.011 . 1 . . . . . 27 ILE HD11 . 51519 1 11 . 1 . 1 27 27 ILE HD12 H 1 0.666 0.011 . 1 . . . . . 27 ILE HD12 . 51519 1 12 . 1 . 1 27 27 ILE HD13 H 1 0.666 0.011 . 1 . . . . . 27 ILE HD13 . 51519 1 13 . 1 . 1 27 27 ILE CA C 13 63.771 0.135 . 1 . . . . . 27 ILE CA . 51519 1 14 . 1 . 1 27 27 ILE CB C 13 37.824 0.114 . 1 . . . . . 27 ILE CB . 51519 1 15 . 1 . 1 27 27 ILE CG1 C 13 28.350 0.041 . 1 . . . . . 27 ILE CG1 . 51519 1 16 . 1 . 1 27 27 ILE CG2 C 13 17.535 0.110 . 1 . . . . . 27 ILE CG2 . 51519 1 17 . 1 . 1 27 27 ILE CD1 C 13 12.493 0.120 . 1 . . . . . 27 ILE CD1 . 51519 1 18 . 1 . 1 28 28 GLU HA H 1 3.984 0.013 . 1 . . . . . 28 GLU HA . 51519 1 19 . 1 . 1 28 28 GLU HB2 H 1 2.034 0.015 . 2 . . . . . 28 GLU HB2 . 51519 1 20 . 1 . 1 28 28 GLU HB3 H 1 2.129 0.000 . 2 . . . . . 28 GLU HB3 . 51519 1 21 . 1 . 1 28 28 GLU C C 13 180.353 0.000 . 1 . . . . . 28 GLU C . 51519 1 22 . 1 . 1 28 28 GLU CA C 13 59.922 0.000 . 1 . . . . . 28 GLU CA . 51519 1 23 . 1 . 1 28 28 GLU CB C 13 29.518 0.000 . 1 . . . . . 28 GLU CB . 51519 1 24 . 1 . 1 29 29 MET H H 1 8.274 0.008 . 1 . . . . . 29 MET H . 51519 1 25 . 1 . 1 29 29 MET HA H 1 3.959 0.020 . 1 . . . . . 29 MET HA . 51519 1 26 . 1 . 1 29 29 MET HB2 H 1 2.069 0.017 . 2 . . . . . 29 MET HB2 . 51519 1 27 . 1 . 1 29 29 MET HB3 H 1 1.683 0.012 . 2 . . . . . 29 MET HB3 . 51519 1 28 . 1 . 1 29 29 MET HE1 H 1 1.965 0.005 . 1 . . . . . 29 MET HE1 . 51519 1 29 . 1 . 1 29 29 MET HE2 H 1 1.965 0.005 . 1 . . . . . 29 MET HE2 . 51519 1 30 . 1 . 1 29 29 MET HE3 H 1 1.965 0.005 . 1 . . . . . 29 MET HE3 . 51519 1 31 . 1 . 1 29 29 MET C C 13 178.252 0.024 . 1 . . . . . 29 MET C . 51519 1 32 . 1 . 1 29 29 MET CA C 13 59.541 0.000 . 1 . . . . . 29 MET CA . 51519 1 33 . 1 . 1 29 29 MET CB C 13 34.010 0.000 . 1 . . . . . 29 MET CB . 51519 1 34 . 1 . 1 29 29 MET CE C 13 18.102 0.014 . 1 . . . . . 29 MET CE . 51519 1 35 . 1 . 1 29 29 MET N N 15 119.477 0.012 . 1 . . . . . 29 MET N . 51519 1 36 . 1 . 1 30 30 ALA H H 1 7.728 0.006 . 1 . . . . . 30 ALA H . 51519 1 37 . 1 . 1 30 30 ALA HA H 1 3.124 0.008 . 1 . . . . . 30 ALA HA . 51519 1 38 . 1 . 1 30 30 ALA HB1 H 1 1.366 0.008 . 1 . . . . . 30 ALA HB1 . 51519 1 39 . 1 . 1 30 30 ALA HB2 H 1 1.366 0.008 . 1 . . . . . 30 ALA HB2 . 51519 1 40 . 1 . 1 30 30 ALA HB3 H 1 1.366 0.008 . 1 . . . . . 30 ALA HB3 . 51519 1 41 . 1 . 1 30 30 ALA C C 13 178.404 0.000 . 1 . . . . . 30 ALA C . 51519 1 42 . 1 . 1 30 30 ALA CA C 13 54.700 0.068 . 1 . . . . . 30 ALA CA . 51519 1 43 . 1 . 1 30 30 ALA CB C 13 18.144 0.074 . 1 . . . . . 30 ALA CB . 51519 1 44 . 1 . 1 30 30 ALA N N 15 120.835 0.003 . 1 . . . . . 30 ALA N . 51519 1 45 . 1 . 1 31 31 HIS H H 1 8.603 0.008 . 1 . . . . . 31 HIS H . 51519 1 46 . 1 . 1 31 31 HIS HA H 1 4.222 0.007 . 1 . . . . . 31 HIS HA . 51519 1 47 . 1 . 1 31 31 HIS HB2 H 1 3.111 0.017 . 2 . . . . . 31 HIS HB2 . 51519 1 48 . 1 . 1 31 31 HIS HB3 H 1 3.130 0.006 . 2 . . . . . 31 HIS HB3 . 51519 1 49 . 1 . 1 31 31 HIS HD2 H 1 6.899 0.001 . 1 . . . . . 31 HIS HD2 . 51519 1 50 . 1 . 1 31 31 HIS C C 13 178.332 0.072 . 1 . . . . . 31 HIS C . 51519 1 51 . 1 . 1 31 31 HIS CA C 13 59.892 0.079 . 1 . . . . . 31 HIS CA . 51519 1 52 . 1 . 1 31 31 HIS CB C 13 30.272 0.118 . 1 . . . . . 31 HIS CB . 51519 1 53 . 1 . 1 31 31 HIS CD2 C 13 120.353 0.000 . 1 . . . . . 31 HIS CD2 . 51519 1 54 . 1 . 1 31 31 HIS N N 15 117.460 0.021 . 1 . . . . . 31 HIS N . 51519 1 55 . 1 . 1 32 32 SER H H 1 8.319 0.006 . 1 . . . . . 32 SER H . 51519 1 56 . 1 . 1 32 32 SER HA H 1 4.152 0.018 . 1 . . . . . 32 SER HA . 51519 1 57 . 1 . 1 32 32 SER HB2 H 1 3.913 0.015 . 2 . . . . . 32 SER HB2 . 51519 1 58 . 1 . 1 32 32 SER HB3 H 1 3.981 0.007 . 2 . . . . . 32 SER HB3 . 51519 1 59 . 1 . 1 32 32 SER C C 13 176.816 0.000 . 1 . . . . . 32 SER C . 51519 1 60 . 1 . 1 32 32 SER CA C 13 62.571 0.062 . 1 . . . . . 32 SER CA . 51519 1 61 . 1 . 1 32 32 SER CB C 13 62.571 0.000 . 1 . . . . . 32 SER CB . 51519 1 62 . 1 . 1 32 32 SER N N 15 115.855 0.090 . 1 . . . . . 32 SER N . 51519 1 63 . 1 . 1 33 33 LEU H H 1 7.290 0.008 . 1 . . . . . 33 LEU H . 51519 1 64 . 1 . 1 33 33 LEU HA H 1 4.000 0.011 . 1 . . . . . 33 LEU HA . 51519 1 65 . 1 . 1 33 33 LEU HB2 H 1 1.543 0.012 . 2 . . . . . 33 LEU HB2 . 51519 1 66 . 1 . 1 33 33 LEU HB3 H 1 1.686 0.009 . 2 . . . . . 33 LEU HB3 . 51519 1 67 . 1 . 1 33 33 LEU HG H 1 1.689 0.013 . 1 . . . . . 33 LEU HG . 51519 1 68 . 1 . 1 33 33 LEU HD11 H 1 0.416 0.008 . 2 . . . . . 33 LEU HD11 . 51519 1 69 . 1 . 1 33 33 LEU HD12 H 1 0.416 0.008 . 2 . . . . . 33 LEU HD12 . 51519 1 70 . 1 . 1 33 33 LEU HD13 H 1 0.416 0.008 . 2 . . . . . 33 LEU HD13 . 51519 1 71 . 1 . 1 33 33 LEU HD21 H 1 0.669 0.008 . 2 . . . . . 33 LEU HD21 . 51519 1 72 . 1 . 1 33 33 LEU HD22 H 1 0.669 0.008 . 2 . . . . . 33 LEU HD22 . 51519 1 73 . 1 . 1 33 33 LEU HD23 H 1 0.669 0.008 . 2 . . . . . 33 LEU HD23 . 51519 1 74 . 1 . 1 33 33 LEU C C 13 179.198 0.000 . 1 . . . . . 33 LEU C . 51519 1 75 . 1 . 1 33 33 LEU CA C 13 57.693 0.119 . 1 . . . . . 33 LEU CA . 51519 1 76 . 1 . 1 33 33 LEU CB C 13 41.190 0.094 . 1 . . . . . 33 LEU CB . 51519 1 77 . 1 . 1 33 33 LEU CG C 13 26.143 0.021 . 1 . . . . . 33 LEU CG . 51519 1 78 . 1 . 1 33 33 LEU CD1 C 13 26.250 0.050 . 2 . . . . . 33 LEU CD1 . 51519 1 79 . 1 . 1 33 33 LEU CD2 C 13 23.743 0.069 . 2 . . . . . 33 LEU CD2 . 51519 1 80 . 1 . 1 33 33 LEU N N 15 120.242 0.073 . 1 . . . . . 33 LEU N . 51519 1 81 . 1 . 1 34 34 ALA H H 1 8.137 0.009 . 1 . . . . . 34 ALA H . 51519 1 82 . 1 . 1 34 34 ALA HA H 1 4.181 0.008 . 1 . . . . . 34 ALA HA . 51519 1 83 . 1 . 1 34 34 ALA HB1 H 1 1.541 0.007 . 1 . . . . . 34 ALA HB1 . 51519 1 84 . 1 . 1 34 34 ALA HB2 H 1 1.541 0.007 . 1 . . . . . 34 ALA HB2 . 51519 1 85 . 1 . 1 34 34 ALA HB3 H 1 1.541 0.007 . 1 . . . . . 34 ALA HB3 . 51519 1 86 . 1 . 1 34 34 ALA C C 13 181.133 0.050 . 1 . . . . . 34 ALA C . 51519 1 87 . 1 . 1 34 34 ALA CA C 13 54.703 0.068 . 1 . . . . . 34 ALA CA . 51519 1 88 . 1 . 1 34 34 ALA CB C 13 18.102 0.139 . 1 . . . . . 34 ALA CB . 51519 1 89 . 1 . 1 34 34 ALA N N 15 121.078 0.010 . 1 . . . . . 34 ALA N . 51519 1 90 . 1 . 1 35 35 GLN H H 1 8.167 0.004 . 1 . . . . . 35 GLN H . 51519 1 91 . 1 . 1 35 35 GLN HA H 1 4.002 0.008 . 1 . . . . . 35 GLN HA . 51519 1 92 . 1 . 1 35 35 GLN HB2 H 1 2.143 0.024 . 2 . . . . . 35 GLN HB2 . 51519 1 93 . 1 . 1 35 35 GLN HB3 H 1 2.114 0.002 . 2 . . . . . 35 GLN HB3 . 51519 1 94 . 1 . 1 35 35 GLN HG2 H 1 2.475 0.011 . 2 . . . . . 35 GLN HG2 . 51519 1 95 . 1 . 1 35 35 GLN HG3 H 1 2.337 0.010 . 2 . . . . . 35 GLN HG3 . 51519 1 96 . 1 . 1 35 35 GLN HE21 H 1 6.723 0.017 . 1 . . . . . 35 GLN HE21 . 51519 1 97 . 1 . 1 35 35 GLN HE22 H 1 7.237 0.000 . 1 . . . . . 35 GLN HE22 . 51519 1 98 . 1 . 1 35 35 GLN C C 13 177.887 0.012 . 1 . . . . . 35 GLN C . 51519 1 99 . 1 . 1 35 35 GLN CA C 13 58.626 0.156 . 1 . . . . . 35 GLN CA . 51519 1 100 . 1 . 1 35 35 GLN CB C 13 28.696 0.047 . 1 . . . . . 35 GLN CB . 51519 1 101 . 1 . 1 35 35 GLN N N 15 116.980 0.012 . 1 . . . . . 35 GLN N . 51519 1 102 . 1 . 1 35 35 GLN NE2 N 15 111.457 0.000 . 1 . . . . . 35 GLN NE2 . 51519 1 103 . 1 . 1 36 36 ILE H H 1 7.190 0.009 . 1 . . . . . 36 ILE H . 51519 1 104 . 1 . 1 36 36 ILE HA H 1 4.375 0.005 . 1 . . . . . 36 ILE HA . 51519 1 105 . 1 . 1 36 36 ILE HB H 1 2.087 0.006 . 1 . . . . . 36 ILE HB . 51519 1 106 . 1 . 1 36 36 ILE HG12 H 1 1.507 0.023 . 2 . . . . . 36 ILE HG12 . 51519 1 107 . 1 . 1 36 36 ILE HG13 H 1 1.395 0.014 . 2 . . . . . 36 ILE HG13 . 51519 1 108 . 1 . 1 36 36 ILE HG21 H 1 0.901 0.008 . 1 . . . . . 36 ILE HG21 . 51519 1 109 . 1 . 1 36 36 ILE HG22 H 1 0.901 0.008 . 1 . . . . . 36 ILE HG22 . 51519 1 110 . 1 . 1 36 36 ILE HG23 H 1 0.901 0.008 . 1 . . . . . 36 ILE HG23 . 51519 1 111 . 1 . 1 36 36 ILE HD11 H 1 0.795 0.010 . 1 . . . . . 36 ILE HD11 . 51519 1 112 . 1 . 1 36 36 ILE HD12 H 1 0.795 0.010 . 1 . . . . . 36 ILE HD12 . 51519 1 113 . 1 . 1 36 36 ILE HD13 H 1 0.795 0.010 . 1 . . . . . 36 ILE HD13 . 51519 1 114 . 1 . 1 36 36 ILE C C 13 176.265 0.022 . 1 . . . . . 36 ILE C . 51519 1 115 . 1 . 1 36 36 ILE CA C 13 61.574 0.028 . 1 . . . . . 36 ILE CA . 51519 1 116 . 1 . 1 36 36 ILE CB C 13 38.081 0.187 . 1 . . . . . 36 ILE CB . 51519 1 117 . 1 . 1 36 36 ILE CG1 C 13 26.688 0.157 . 1 . . . . . 36 ILE CG1 . 51519 1 118 . 1 . 1 36 36 ILE CG2 C 13 17.883 0.103 . 1 . . . . . 36 ILE CG2 . 51519 1 119 . 1 . 1 36 36 ILE CD1 C 13 14.379 0.051 . 1 . . . . . 36 ILE CD1 . 51519 1 120 . 1 . 1 36 36 ILE N N 15 111.833 0.078 . 1 . . . . . 36 ILE N . 51519 1 121 . 1 . 1 37 37 GLY H H 1 7.745 0.009 . 1 . . . . . 37 GLY H . 51519 1 122 . 1 . 1 37 37 GLY HA2 H 1 4.023 0.004 . 2 . . . . . 37 GLY HA2 . 51519 1 123 . 1 . 1 37 37 GLY HA3 H 1 3.577 0.009 . 2 . . . . . 37 GLY HA3 . 51519 1 124 . 1 . 1 37 37 GLY C C 13 174.060 0.022 . 1 . . . . . 37 GLY C . 51519 1 125 . 1 . 1 37 37 GLY CA C 13 46.371 0.062 . 1 . . . . . 37 GLY CA . 51519 1 126 . 1 . 1 37 37 GLY N N 15 108.723 0.038 . 1 . . . . . 37 GLY N . 51519 1 127 . 1 . 1 38 38 ILE H H 1 7.734 0.005 . 1 . . . . . 38 ILE H . 51519 1 128 . 1 . 1 38 38 ILE HA H 1 4.126 0.011 . 1 . . . . . 38 ILE HA . 51519 1 129 . 1 . 1 38 38 ILE HB H 1 1.713 0.015 . 1 . . . . . 38 ILE HB . 51519 1 130 . 1 . 1 38 38 ILE HG12 H 1 1.369 0.011 . 2 . . . . . 38 ILE HG12 . 51519 1 131 . 1 . 1 38 38 ILE HG13 H 1 1.146 0.008 . 2 . . . . . 38 ILE HG13 . 51519 1 132 . 1 . 1 38 38 ILE HG21 H 1 0.949 0.006 . 1 . . . . . 38 ILE HG21 . 51519 1 133 . 1 . 1 38 38 ILE HG22 H 1 0.949 0.006 . 1 . . . . . 38 ILE HG22 . 51519 1 134 . 1 . 1 38 38 ILE HG23 H 1 0.949 0.006 . 1 . . . . . 38 ILE HG23 . 51519 1 135 . 1 . 1 38 38 ILE HD11 H 1 0.737 0.005 . 1 . . . . . 38 ILE HD11 . 51519 1 136 . 1 . 1 38 38 ILE HD12 H 1 0.737 0.005 . 1 . . . . . 38 ILE HD12 . 51519 1 137 . 1 . 1 38 38 ILE HD13 H 1 0.737 0.005 . 1 . . . . . 38 ILE HD13 . 51519 1 138 . 1 . 1 38 38 ILE C C 13 174.038 0.000 . 1 . . . . . 38 ILE C . 51519 1 139 . 1 . 1 38 38 ILE CA C 13 59.785 0.057 . 1 . . . . . 38 ILE CA . 51519 1 140 . 1 . 1 38 38 ILE CB C 13 38.671 0.031 . 1 . . . . . 38 ILE CB . 51519 1 141 . 1 . 1 38 38 ILE CG1 C 13 27.635 0.200 . 1 . . . . . 38 ILE CG1 . 51519 1 142 . 1 . 1 38 38 ILE CG2 C 13 17.523 0.033 . 1 . . . . . 38 ILE CG2 . 51519 1 143 . 1 . 1 38 38 ILE CD1 C 13 12.408 0.043 . 1 . . . . . 38 ILE CD1 . 51519 1 144 . 1 . 1 38 38 ILE N N 15 122.791 0.023 . 1 . . . . . 38 ILE N . 51519 1 145 . 1 . 1 39 39 ARG H H 1 8.220 0.014 . 1 . . . . . 39 ARG H . 51519 1 146 . 1 . 1 39 39 ARG HA H 1 3.839 0.006 . 1 . . . . . 39 ARG HA . 51519 1 147 . 1 . 1 39 39 ARG HB2 H 1 1.633 0.013 . 2 . . . . . 39 ARG HB2 . 51519 1 148 . 1 . 1 39 39 ARG HB3 H 1 1.755 0.001 . 2 . . . . . 39 ARG HB3 . 51519 1 149 . 1 . 1 39 39 ARG HG2 H 1 1.503 0.000 . 1 . . . . . 39 ARG HG2 . 51519 1 150 . 1 . 1 39 39 ARG HG3 H 1 1.503 0.000 . 1 . . . . . 39 ARG HG3 . 51519 1 151 . 1 . 1 39 39 ARG HD2 H 1 3.116 0.000 . 2 . . . . . 39 ARG HD2 . 51519 1 152 . 1 . 1 39 39 ARG HD3 H 1 3.113 0.000 . 2 . . . . . 39 ARG HD3 . 51519 1 153 . 1 . 1 39 39 ARG C C 13 175.339 0.022 . 1 . . . . . 39 ARG C . 51519 1 154 . 1 . 1 39 39 ARG CA C 13 57.273 0.156 . 1 . . . . . 39 ARG CA . 51519 1 155 . 1 . 1 39 39 ARG CB C 13 31.914 0.000 . 1 . . . . . 39 ARG CB . 51519 1 156 . 1 . 1 39 39 ARG CG C 13 27.154 0.000 . 1 . . . . . 39 ARG CG . 51519 1 157 . 1 . 1 39 39 ARG CD C 13 43.679 0.064 . 1 . . . . . 39 ARG CD . 51519 1 158 . 1 . 1 39 39 ARG N N 15 125.438 0.112 . 1 . . . . . 39 ARG N . 51519 1 159 . 1 . 1 40 40 PHE H H 1 6.766 0.010 . 1 . . . . . 40 PHE H . 51519 1 160 . 1 . 1 40 40 PHE HA H 1 5.533 0.008 . 1 . . . . . 40 PHE HA . 51519 1 161 . 1 . 1 40 40 PHE HB2 H 1 2.605 0.006 . 2 . . . . . 40 PHE HB2 . 51519 1 162 . 1 . 1 40 40 PHE HB3 H 1 2.420 0.008 . 2 . . . . . 40 PHE HB3 . 51519 1 163 . 1 . 1 40 40 PHE HD1 H 1 6.778 0.010 . 1 . . . . . 40 PHE HD1 . 51519 1 164 . 1 . 1 40 40 PHE HD2 H 1 6.778 0.010 . 1 . . . . . 40 PHE HD2 . 51519 1 165 . 1 . 1 40 40 PHE HE1 H 1 6.995 0.013 . 1 . . . . . 40 PHE HE1 . 51519 1 166 . 1 . 1 40 40 PHE HE2 H 1 6.995 0.013 . 1 . . . . . 40 PHE HE2 . 51519 1 167 . 1 . 1 40 40 PHE C C 13 173.814 0.092 . 1 . . . . . 40 PHE C . 51519 1 168 . 1 . 1 40 40 PHE CA C 13 55.550 0.028 . 1 . . . . . 40 PHE CA . 51519 1 169 . 1 . 1 40 40 PHE CB C 13 42.546 0.000 . 1 . . . . . 40 PHE CB . 51519 1 170 . 1 . 1 40 40 PHE CD1 C 13 129.599 0.170 . 1 . . . . . 40 PHE CD1 . 51519 1 171 . 1 . 1 40 40 PHE CD2 C 13 129.599 0.170 . 1 . . . . . 40 PHE CD2 . 51519 1 172 . 1 . 1 40 40 PHE CE1 C 13 129.693 0.006 . 1 . . . . . 40 PHE CE1 . 51519 1 173 . 1 . 1 40 40 PHE CE2 C 13 129.693 0.006 . 1 . . . . . 40 PHE CE2 . 51519 1 174 . 1 . 1 40 40 PHE N N 15 113.350 0.074 . 1 . . . . . 40 PHE N . 51519 1 175 . 1 . 1 41 41 VAL H H 1 8.577 0.008 . 1 . . . . . 41 VAL H . 51519 1 176 . 1 . 1 41 41 VAL HA H 1 4.483 0.007 . 1 . . . . . 41 VAL HA . 51519 1 177 . 1 . 1 41 41 VAL HB H 1 1.638 0.004 . 1 . . . . . 41 VAL HB . 51519 1 178 . 1 . 1 41 41 VAL HG11 H 1 0.522 0.019 . 2 . . . . . 41 VAL HG11 . 51519 1 179 . 1 . 1 41 41 VAL HG12 H 1 0.522 0.019 . 2 . . . . . 41 VAL HG12 . 51519 1 180 . 1 . 1 41 41 VAL HG13 H 1 0.522 0.019 . 2 . . . . . 41 VAL HG13 . 51519 1 181 . 1 . 1 41 41 VAL HG21 H 1 0.470 0.008 . 2 . . . . . 41 VAL HG21 . 51519 1 182 . 1 . 1 41 41 VAL HG22 H 1 0.470 0.008 . 2 . . . . . 41 VAL HG22 . 51519 1 183 . 1 . 1 41 41 VAL HG23 H 1 0.470 0.008 . 2 . . . . . 41 VAL HG23 . 51519 1 184 . 1 . 1 41 41 VAL C C 13 174.501 0.000 . 1 . . . . . 41 VAL C . 51519 1 185 . 1 . 1 41 41 VAL CA C 13 59.212 0.067 . 1 . . . . . 41 VAL CA . 51519 1 186 . 1 . 1 41 41 VAL CB C 13 35.467 0.046 . 1 . . . . . 41 VAL CB . 51519 1 187 . 1 . 1 41 41 VAL CG1 C 13 20.143 0.008 . 2 . . . . . 41 VAL CG1 . 51519 1 188 . 1 . 1 41 41 VAL CG2 C 13 22.534 0.012 . 2 . . . . . 41 VAL CG2 . 51519 1 189 . 1 . 1 41 41 VAL N N 15 119.504 0.010 . 1 . . . . . 41 VAL N . 51519 1 190 . 1 . 1 42 42 PRO HA H 1 4.497 0.016 . 1 . . . . . 42 PRO HA . 51519 1 191 . 1 . 1 42 42 PRO HB2 H 1 1.153 0.008 . 2 . . . . . 42 PRO HB2 . 51519 1 192 . 1 . 1 42 42 PRO HB3 H 1 1.207 0.007 . 2 . . . . . 42 PRO HB3 . 51519 1 193 . 1 . 1 42 42 PRO HG2 H 1 2.052 0.004 . 2 . . . . . 42 PRO HG2 . 51519 1 194 . 1 . 1 42 42 PRO HG3 H 1 1.371 0.006 . 2 . . . . . 42 PRO HG3 . 51519 1 195 . 1 . 1 42 42 PRO HD2 H 1 3.819 0.008 . 2 . . . . . 42 PRO HD2 . 51519 1 196 . 1 . 1 42 42 PRO HD3 H 1 3.526 0.003 . 2 . . . . . 42 PRO HD3 . 51519 1 197 . 1 . 1 42 42 PRO C C 13 172.956 0.000 . 1 . . . . . 42 PRO C . 51519 1 198 . 1 . 1 42 42 PRO CA C 13 61.810 0.089 . 1 . . . . . 42 PRO CA . 51519 1 199 . 1 . 1 42 42 PRO CB C 13 33.042 0.048 . 1 . . . . . 42 PRO CB . 51519 1 200 . 1 . 1 42 42 PRO CG C 13 26.930 0.063 . 1 . . . . . 42 PRO CG . 51519 1 201 . 1 . 1 42 42 PRO CD C 13 50.408 0.042 . 1 . . . . . 42 PRO CD . 51519 1 202 . 1 . 1 43 43 ILE H H 1 8.075 0.015 . 1 . . . . . 43 ILE H . 51519 1 203 . 1 . 1 43 43 ILE HA H 1 4.690 0.012 . 1 . . . . . 43 ILE HA . 51519 1 204 . 1 . 1 43 43 ILE HB H 1 2.106 0.011 . 1 . . . . . 43 ILE HB . 51519 1 205 . 1 . 1 43 43 ILE HG12 H 1 1.309 0.003 . 2 . . . . . 43 ILE HG12 . 51519 1 206 . 1 . 1 43 43 ILE HG13 H 1 1.644 0.009 . 2 . . . . . 43 ILE HG13 . 51519 1 207 . 1 . 1 43 43 ILE HG21 H 1 0.794 0.009 . 1 . . . . . 43 ILE HG21 . 51519 1 208 . 1 . 1 43 43 ILE HG22 H 1 0.794 0.009 . 1 . . . . . 43 ILE HG22 . 51519 1 209 . 1 . 1 43 43 ILE HG23 H 1 0.794 0.009 . 1 . . . . . 43 ILE HG23 . 51519 1 210 . 1 . 1 43 43 ILE HD11 H 1 0.625 0.007 . 1 . . . . . 43 ILE HD11 . 51519 1 211 . 1 . 1 43 43 ILE HD12 H 1 0.625 0.007 . 1 . . . . . 43 ILE HD12 . 51519 1 212 . 1 . 1 43 43 ILE HD13 H 1 0.625 0.007 . 1 . . . . . 43 ILE HD13 . 51519 1 213 . 1 . 1 43 43 ILE C C 13 174.785 0.000 . 1 . . . . . 43 ILE C . 51519 1 214 . 1 . 1 43 43 ILE CA C 13 54.871 0.110 . 1 . . . . . 43 ILE CA . 51519 1 215 . 1 . 1 43 43 ILE CB C 13 37.532 0.000 . 1 . . . . . 43 ILE CB . 51519 1 216 . 1 . 1 43 43 ILE CG1 C 13 26.025 0.067 . 1 . . . . . 43 ILE CG1 . 51519 1 217 . 1 . 1 43 43 ILE CG2 C 13 16.462 0.045 . 1 . . . . . 43 ILE CG2 . 51519 1 218 . 1 . 1 43 43 ILE CD1 C 13 9.797 0.079 . 1 . . . . . 43 ILE CD1 . 51519 1 219 . 1 . 1 43 43 ILE N N 15 123.563 0.103 . 1 . . . . . 43 ILE N . 51519 1 220 . 1 . 1 44 44 PRO HA H 1 4.851 0.009 . 1 . . . . . 44 PRO HA . 51519 1 221 . 1 . 1 44 44 PRO HB2 H 1 2.158 0.015 . 2 . . . . . 44 PRO HB2 . 51519 1 222 . 1 . 1 44 44 PRO HB3 H 1 1.795 0.007 . 2 . . . . . 44 PRO HB3 . 51519 1 223 . 1 . 1 44 44 PRO HG2 H 1 1.646 0.003 . 2 . . . . . 44 PRO HG2 . 51519 1 224 . 1 . 1 44 44 PRO HG3 H 1 1.655 0.006 . 2 . . . . . 44 PRO HG3 . 51519 1 225 . 1 . 1 44 44 PRO HD2 H 1 3.487 0.004 . 2 . . . . . 44 PRO HD2 . 51519 1 226 . 1 . 1 44 44 PRO HD3 H 1 4.160 0.009 . 2 . . . . . 44 PRO HD3 . 51519 1 227 . 1 . 1 44 44 PRO C C 13 175.096 0.000 . 1 . . . . . 44 PRO C . 51519 1 228 . 1 . 1 44 44 PRO CA C 13 62.042 0.066 . 1 . . . . . 44 PRO CA . 51519 1 229 . 1 . 1 44 44 PRO CB C 13 33.359 0.142 . 1 . . . . . 44 PRO CB . 51519 1 230 . 1 . 1 44 44 PRO CG C 13 27.820 0.052 . 1 . . . . . 44 PRO CG . 51519 1 231 . 1 . 1 44 44 PRO CD C 13 51.648 0.060 . 1 . . . . . 44 PRO CD . 51519 1 232 . 1 . 1 45 45 VAL H H 1 8.018 0.011 . 1 . . . . . 45 VAL H . 51519 1 233 . 1 . 1 45 45 VAL HA H 1 4.563 0.011 . 1 . . . . . 45 VAL HA . 51519 1 234 . 1 . 1 45 45 VAL HB H 1 2.033 0.005 . 1 . . . . . 45 VAL HB . 51519 1 235 . 1 . 1 45 45 VAL HG11 H 1 0.673 0.005 . 2 . . . . . 45 VAL HG11 . 51519 1 236 . 1 . 1 45 45 VAL HG12 H 1 0.673 0.005 . 2 . . . . . 45 VAL HG12 . 51519 1 237 . 1 . 1 45 45 VAL HG13 H 1 0.673 0.005 . 2 . . . . . 45 VAL HG13 . 51519 1 238 . 1 . 1 45 45 VAL HG21 H 1 0.847 0.008 . 2 . . . . . 45 VAL HG21 . 51519 1 239 . 1 . 1 45 45 VAL HG22 H 1 0.847 0.008 . 2 . . . . . 45 VAL HG22 . 51519 1 240 . 1 . 1 45 45 VAL HG23 H 1 0.847 0.008 . 2 . . . . . 45 VAL HG23 . 51519 1 241 . 1 . 1 45 45 VAL C C 13 175.163 0.022 . 1 . . . . . 45 VAL C . 51519 1 242 . 1 . 1 45 45 VAL CA C 13 58.949 0.086 . 1 . . . . . 45 VAL CA . 51519 1 243 . 1 . 1 45 45 VAL CB C 13 35.398 0.061 . 1 . . . . . 45 VAL CB . 51519 1 244 . 1 . 1 45 45 VAL CG1 C 13 19.455 0.020 . 2 . . . . . 45 VAL CG1 . 51519 1 245 . 1 . 1 45 45 VAL CG2 C 13 23.737 0.036 . 2 . . . . . 45 VAL CG2 . 51519 1 246 . 1 . 1 45 45 VAL N N 15 113.185 0.019 . 1 . . . . . 45 VAL N . 51519 1 247 . 1 . 1 46 46 GLU H H 1 9.064 0.004 . 1 . . . . . 46 GLU H . 51519 1 248 . 1 . 1 46 46 GLU HA H 1 4.425 0.011 . 1 . . . . . 46 GLU HA . 51519 1 249 . 1 . 1 46 46 GLU HB2 H 1 2.012 0.009 . 2 . . . . . 46 GLU HB2 . 51519 1 250 . 1 . 1 46 46 GLU HB3 H 1 2.167 0.018 . 2 . . . . . 46 GLU HB3 . 51519 1 251 . 1 . 1 46 46 GLU HG2 H 1 2.899 0.000 . 2 . . . . . 46 GLU HG2 . 51519 1 252 . 1 . 1 46 46 GLU HG3 H 1 2.883 0.000 . 2 . . . . . 46 GLU HG3 . 51519 1 253 . 1 . 1 46 46 GLU C C 13 176.779 0.042 . 1 . . . . . 46 GLU C . 51519 1 254 . 1 . 1 46 46 GLU CA C 13 57.343 0.049 . 1 . . . . . 46 GLU CA . 51519 1 255 . 1 . 1 46 46 GLU CB C 13 33.186 0.000 . 1 . . . . . 46 GLU CB . 51519 1 256 . 1 . 1 46 46 GLU N N 15 120.030 0.012 . 1 . . . . . 46 GLU N . 51519 1 257 . 1 . 1 47 47 THR H H 1 7.299 0.012 . 1 . . . . . 47 THR H . 51519 1 258 . 1 . 1 47 47 THR HA H 1 4.602 0.005 . 1 . . . . . 47 THR HA . 51519 1 259 . 1 . 1 47 47 THR HB H 1 4.747 0.006 . 1 . . . . . 47 THR HB . 51519 1 260 . 1 . 1 47 47 THR HG21 H 1 1.167 0.003 . 1 . . . . . 47 THR HG21 . 51519 1 261 . 1 . 1 47 47 THR HG22 H 1 1.167 0.003 . 1 . . . . . 47 THR HG22 . 51519 1 262 . 1 . 1 47 47 THR HG23 H 1 1.167 0.003 . 1 . . . . . 47 THR HG23 . 51519 1 263 . 1 . 1 47 47 THR C C 13 174.969 0.005 . 1 . . . . . 47 THR C . 51519 1 264 . 1 . 1 47 47 THR CA C 13 59.131 0.129 . 1 . . . . . 47 THR CA . 51519 1 265 . 1 . 1 47 47 THR CB C 13 73.375 0.000 . 1 . . . . . 47 THR CB . 51519 1 266 . 1 . 1 47 47 THR CG2 C 13 21.645 0.077 . 1 . . . . . 47 THR CG2 . 51519 1 267 . 1 . 1 47 47 THR N N 15 131.551 0.000 . 1 . . . . . 47 THR N . 51519 1 268 . 1 . 1 48 48 ASP HA H 1 4.193 0.013 . 1 . . . . . 48 ASP HA . 51519 1 269 . 1 . 1 48 48 ASP HB2 H 1 2.621 0.001 . 2 . . . . . 48 ASP HB2 . 51519 1 270 . 1 . 1 48 48 ASP HB3 H 1 2.661 0.000 . 2 . . . . . 48 ASP HB3 . 51519 1 271 . 1 . 1 48 48 ASP C C 13 177.787 0.000 . 1 . . . . . 48 ASP C . 51519 1 272 . 1 . 1 48 48 ASP CA C 13 57.348 0.050 . 1 . . . . . 48 ASP CA . 51519 1 273 . 1 . 1 48 48 ASP CB C 13 40.108 0.038 . 1 . . . . . 48 ASP CB . 51519 1 274 . 1 . 1 49 49 GLU H H 1 8.565 0.003 . 1 . . . . . 49 GLU H . 51519 1 275 . 1 . 1 49 49 GLU HA H 1 4.084 0.009 . 1 . . . . . 49 GLU HA . 51519 1 276 . 1 . 1 49 49 GLU HB2 H 1 1.917 0.005 . 2 . . . . . 49 GLU HB2 . 51519 1 277 . 1 . 1 49 49 GLU HB3 H 1 2.068 0.016 . 2 . . . . . 49 GLU HB3 . 51519 1 278 . 1 . 1 49 49 GLU HG2 H 1 2.265 0.003 . 2 . . . . . 49 GLU HG2 . 51519 1 279 . 1 . 1 49 49 GLU HG3 H 1 2.287 0.000 . 2 . . . . . 49 GLU HG3 . 51519 1 280 . 1 . 1 49 49 GLU C C 13 179.559 0.036 . 1 . . . . . 49 GLU C . 51519 1 281 . 1 . 1 49 49 GLU CA C 13 60.331 0.054 . 1 . . . . . 49 GLU CA . 51519 1 282 . 1 . 1 49 49 GLU CB C 13 29.132 0.069 . 1 . . . . . 49 GLU CB . 51519 1 283 . 1 . 1 49 49 GLU CG C 13 36.863 0.005 . 1 . . . . . 49 GLU CG . 51519 1 284 . 1 . 1 49 49 GLU N N 15 119.511 0.014 . 1 . . . . . 49 GLU N . 51519 1 285 . 1 . 1 50 50 GLU H H 1 7.857 0.007 . 1 . . . . . 50 GLU H . 51519 1 286 . 1 . 1 50 50 GLU HA H 1 3.982 0.017 . 1 . . . . . 50 GLU HA . 51519 1 287 . 1 . 1 50 50 GLU HB2 H 1 2.146 0.017 . 2 . . . . . 50 GLU HB2 . 51519 1 288 . 1 . 1 50 50 GLU HB3 H 1 2.050 0.004 . 2 . . . . . 50 GLU HB3 . 51519 1 289 . 1 . 1 50 50 GLU HG2 H 1 2.208 0.005 . 2 . . . . . 50 GLU HG2 . 51519 1 290 . 1 . 1 50 50 GLU HG3 H 1 2.359 0.007 . 2 . . . . . 50 GLU HG3 . 51519 1 291 . 1 . 1 50 50 GLU C C 13 178.492 0.000 . 1 . . . . . 50 GLU C . 51519 1 292 . 1 . 1 50 50 GLU CA C 13 59.332 0.117 . 1 . . . . . 50 GLU CA . 51519 1 293 . 1 . 1 50 50 GLU CB C 13 30.489 0.030 . 1 . . . . . 50 GLU CB . 51519 1 294 . 1 . 1 50 50 GLU CG C 13 36.662 0.062 . 1 . . . . . 50 GLU CG . 51519 1 295 . 1 . 1 50 50 GLU N N 15 120.928 0.012 . 1 . . . . . 50 GLU N . 51519 1 296 . 1 . 1 51 51 PHE H H 1 7.950 0.006 . 1 . . . . . 51 PHE H . 51519 1 297 . 1 . 1 51 51 PHE HA H 1 3.728 0.010 . 1 . . . . . 51 PHE HA . 51519 1 298 . 1 . 1 51 51 PHE HB2 H 1 2.704 0.007 . 2 . . . . . 51 PHE HB2 . 51519 1 299 . 1 . 1 51 51 PHE HB3 H 1 3.240 0.011 . 2 . . . . . 51 PHE HB3 . 51519 1 300 . 1 . 1 51 51 PHE HD1 H 1 6.480 0.006 . 1 . . . . . 51 PHE HD1 . 51519 1 301 . 1 . 1 51 51 PHE HD2 H 1 6.480 0.006 . 1 . . . . . 51 PHE HD2 . 51519 1 302 . 1 . 1 51 51 PHE HE1 H 1 6.976 0.007 . 1 . . . . . 51 PHE HE1 . 51519 1 303 . 1 . 1 51 51 PHE HE2 H 1 6.976 0.007 . 1 . . . . . 51 PHE HE2 . 51519 1 304 . 1 . 1 51 51 PHE C C 13 176.614 0.000 . 1 . . . . . 51 PHE C . 51519 1 305 . 1 . 1 51 51 PHE CA C 13 61.887 0.000 . 1 . . . . . 51 PHE CA . 51519 1 306 . 1 . 1 51 51 PHE CB C 13 38.518 0.031 . 1 . . . . . 51 PHE CB . 51519 1 307 . 1 . 1 51 51 PHE CD1 C 13 131.198 0.166 . 1 . . . . . 51 PHE CD1 . 51519 1 308 . 1 . 1 51 51 PHE CD2 C 13 131.198 0.166 . 1 . . . . . 51 PHE CD2 . 51519 1 309 . 1 . 1 51 51 PHE CE1 C 13 131.073 0.261 . 1 . . . . . 51 PHE CE1 . 51519 1 310 . 1 . 1 51 51 PHE CE2 C 13 131.073 0.261 . 1 . . . . . 51 PHE CE2 . 51519 1 311 . 1 . 1 51 51 PHE N N 15 119.120 0.046 . 1 . . . . . 51 PHE N . 51519 1 312 . 1 . 1 52 52 HIS H H 1 8.486 0.007 . 1 . . . . . 52 HIS H . 51519 1 313 . 1 . 1 52 52 HIS HA H 1 4.157 0.007 . 1 . . . . . 52 HIS HA . 51519 1 314 . 1 . 1 52 52 HIS HB2 H 1 3.136 0.005 . 2 . . . . . 52 HIS HB2 . 51519 1 315 . 1 . 1 52 52 HIS HB3 H 1 3.129 0.003 . 2 . . . . . 52 HIS HB3 . 51519 1 316 . 1 . 1 52 52 HIS HD2 H 1 6.980 0.000 . 1 . . . . . 52 HIS HD2 . 51519 1 317 . 1 . 1 52 52 HIS C C 13 179.332 0.002 . 1 . . . . . 52 HIS C . 51519 1 318 . 1 . 1 52 52 HIS CA C 13 59.966 0.181 . 1 . . . . . 52 HIS CA . 51519 1 319 . 1 . 1 52 52 HIS CB C 13 30.329 0.070 . 1 . . . . . 52 HIS CB . 51519 1 320 . 1 . 1 52 52 HIS N N 15 116.856 0.003 . 1 . . . . . 52 HIS N . 51519 1 321 . 1 . 1 53 53 THR H H 1 8.214 0.010 . 1 . . . . . 53 THR H . 51519 1 322 . 1 . 1 53 53 THR HA H 1 3.944 0.012 . 1 . . . . . 53 THR HA . 51519 1 323 . 1 . 1 53 53 THR HB H 1 4.215 0.005 . 1 . . . . . 53 THR HB . 51519 1 324 . 1 . 1 53 53 THR HG21 H 1 1.192 0.009 . 1 . . . . . 53 THR HG21 . 51519 1 325 . 1 . 1 53 53 THR HG22 H 1 1.192 0.009 . 1 . . . . . 53 THR HG22 . 51519 1 326 . 1 . 1 53 53 THR HG23 H 1 1.192 0.009 . 1 . . . . . 53 THR HG23 . 51519 1 327 . 1 . 1 53 53 THR C C 13 177.318 0.017 . 1 . . . . . 53 THR C . 51519 1 328 . 1 . 1 53 53 THR CA C 13 66.647 0.000 . 1 . . . . . 53 THR CA . 51519 1 329 . 1 . 1 53 53 THR CB C 13 68.619 0.025 . 1 . . . . . 53 THR CB . 51519 1 330 . 1 . 1 53 53 THR CG2 C 13 21.606 0.010 . 1 . . . . . 53 THR CG2 . 51519 1 331 . 1 . 1 53 53 THR N N 15 117.474 0.002 . 1 . . . . . 53 THR N . 51519 1 332 . 1 . 1 54 54 LEU H H 1 8.208 0.009 . 1 . . . . . 54 LEU H . 51519 1 333 . 1 . 1 54 54 LEU HA H 1 4.067 0.012 . 1 . . . . . 54 LEU HA . 51519 1 334 . 1 . 1 54 54 LEU HB2 H 1 1.170 0.013 . 2 . . . . . 54 LEU HB2 . 51519 1 335 . 1 . 1 54 54 LEU HB3 H 1 1.653 0.012 . 2 . . . . . 54 LEU HB3 . 51519 1 336 . 1 . 1 54 54 LEU HG H 1 1.664 0.003 . 1 . . . . . 54 LEU HG . 51519 1 337 . 1 . 1 54 54 LEU HD11 H 1 0.756 0.005 . 2 . . . . . 54 LEU HD11 . 51519 1 338 . 1 . 1 54 54 LEU HD12 H 1 0.756 0.005 . 2 . . . . . 54 LEU HD12 . 51519 1 339 . 1 . 1 54 54 LEU HD13 H 1 0.756 0.005 . 2 . . . . . 54 LEU HD13 . 51519 1 340 . 1 . 1 54 54 LEU HD21 H 1 0.749 0.003 . 2 . . . . . 54 LEU HD21 . 51519 1 341 . 1 . 1 54 54 LEU HD22 H 1 0.749 0.003 . 2 . . . . . 54 LEU HD22 . 51519 1 342 . 1 . 1 54 54 LEU HD23 H 1 0.749 0.003 . 2 . . . . . 54 LEU HD23 . 51519 1 343 . 1 . 1 54 54 LEU C C 13 179.418 0.000 . 1 . . . . . 54 LEU C . 51519 1 344 . 1 . 1 54 54 LEU CA C 13 57.778 0.080 . 1 . . . . . 54 LEU CA . 51519 1 345 . 1 . 1 54 54 LEU CB C 13 41.091 0.099 . 1 . . . . . 54 LEU CB . 51519 1 346 . 1 . 1 54 54 LEU CG C 13 27.485 0.071 . 1 . . . . . 54 LEU CG . 51519 1 347 . 1 . 1 54 54 LEU CD1 C 13 22.832 0.034 . 2 . . . . . 54 LEU CD1 . 51519 1 348 . 1 . 1 54 54 LEU CD2 C 13 25.357 0.222 . 2 . . . . . 54 LEU CD2 . 51519 1 349 . 1 . 1 54 54 LEU N N 15 123.015 0.006 . 1 . . . . . 54 LEU N . 51519 1 350 . 1 . 1 55 55 ALA H H 1 8.969 0.008 . 1 . . . . . 55 ALA H . 51519 1 351 . 1 . 1 55 55 ALA HA H 1 3.718 0.010 . 1 . . . . . 55 ALA HA . 51519 1 352 . 1 . 1 55 55 ALA HB1 H 1 1.037 0.007 . 1 . . . . . 55 ALA HB1 . 51519 1 353 . 1 . 1 55 55 ALA HB2 H 1 1.037 0.007 . 1 . . . . . 55 ALA HB2 . 51519 1 354 . 1 . 1 55 55 ALA HB3 H 1 1.037 0.007 . 1 . . . . . 55 ALA HB3 . 51519 1 355 . 1 . 1 55 55 ALA C C 13 180.234 0.022 . 1 . . . . . 55 ALA C . 51519 1 356 . 1 . 1 55 55 ALA CA C 13 55.275 0.078 . 1 . . . . . 55 ALA CA . 51519 1 357 . 1 . 1 55 55 ALA CB C 13 17.116 0.058 . 1 . . . . . 55 ALA CB . 51519 1 358 . 1 . 1 55 55 ALA N N 15 123.446 0.076 . 1 . . . . . 55 ALA N . 51519 1 359 . 1 . 1 56 56 ALA H H 1 7.644 0.009 . 1 . . . . . 56 ALA H . 51519 1 360 . 1 . 1 56 56 ALA HA H 1 4.169 0.008 . 1 . . . . . 56 ALA HA . 51519 1 361 . 1 . 1 56 56 ALA HB1 H 1 1.458 0.008 . 1 . . . . . 56 ALA HB1 . 51519 1 362 . 1 . 1 56 56 ALA HB2 H 1 1.458 0.008 . 1 . . . . . 56 ALA HB2 . 51519 1 363 . 1 . 1 56 56 ALA HB3 H 1 1.458 0.008 . 1 . . . . . 56 ALA HB3 . 51519 1 364 . 1 . 1 56 56 ALA C C 13 180.344 0.088 . 1 . . . . . 56 ALA C . 51519 1 365 . 1 . 1 56 56 ALA CA C 13 54.912 0.047 . 1 . . . . . 56 ALA CA . 51519 1 366 . 1 . 1 56 56 ALA CB C 13 17.604 0.024 . 1 . . . . . 56 ALA CB . 51519 1 367 . 1 . 1 56 56 ALA N N 15 121.278 0.029 . 1 . . . . . 56 ALA N . 51519 1 368 . 1 . 1 57 57 SER H H 1 7.454 0.006 . 1 . . . . . 57 SER H . 51519 1 369 . 1 . 1 57 57 SER HA H 1 4.228 0.014 . 1 . . . . . 57 SER HA . 51519 1 370 . 1 . 1 57 57 SER HB2 H 1 3.963 0.007 . 2 . . . . . 57 SER HB2 . 51519 1 371 . 1 . 1 57 57 SER HB3 H 1 3.984 0.010 . 2 . . . . . 57 SER HB3 . 51519 1 372 . 1 . 1 57 57 SER CA C 13 61.212 0.000 . 1 . . . . . 57 SER CA . 51519 1 373 . 1 . 1 57 57 SER CB C 13 62.965 0.000 . 1 . . . . . 57 SER CB . 51519 1 374 . 1 . 1 57 57 SER N N 15 115.491 0.000 . 1 . . . . . 57 SER N . 51519 1 375 . 1 . 1 58 58 LEU H H 1 8.108 0.009 . 1 . . . . . 58 LEU H . 51519 1 376 . 1 . 1 58 58 LEU HA H 1 3.899 0.010 . 1 . . . . . 58 LEU HA . 51519 1 377 . 1 . 1 58 58 LEU HB2 H 1 1.949 0.010 . 2 . . . . . 58 LEU HB2 . 51519 1 378 . 1 . 1 58 58 LEU HB3 H 1 1.640 0.013 . 2 . . . . . 58 LEU HB3 . 51519 1 379 . 1 . 1 58 58 LEU HG H 1 1.550 0.006 . 1 . . . . . 58 LEU HG . 51519 1 380 . 1 . 1 58 58 LEU HD11 H 1 0.869 0.005 . 2 . . . . . 58 LEU HD11 . 51519 1 381 . 1 . 1 58 58 LEU HD12 H 1 0.869 0.005 . 2 . . . . . 58 LEU HD12 . 51519 1 382 . 1 . 1 58 58 LEU HD13 H 1 0.869 0.005 . 2 . . . . . 58 LEU HD13 . 51519 1 383 . 1 . 1 58 58 LEU HD21 H 1 0.959 0.004 . 2 . . . . . 58 LEU HD21 . 51519 1 384 . 1 . 1 58 58 LEU HD22 H 1 0.959 0.004 . 2 . . . . . 58 LEU HD22 . 51519 1 385 . 1 . 1 58 58 LEU HD23 H 1 0.959 0.004 . 2 . . . . . 58 LEU HD23 . 51519 1 386 . 1 . 1 58 58 LEU C C 13 177.566 0.000 . 1 . . . . . 58 LEU C . 51519 1 387 . 1 . 1 58 58 LEU CA C 13 59.183 0.137 . 1 . . . . . 58 LEU CA . 51519 1 388 . 1 . 1 58 58 LEU CB C 13 40.825 0.143 . 1 . . . . . 58 LEU CB . 51519 1 389 . 1 . 1 58 58 LEU CG C 13 27.930 0.083 . 1 . . . . . 58 LEU CG . 51519 1 390 . 1 . 1 58 58 LEU CD1 C 13 25.594 0.050 . 2 . . . . . 58 LEU CD1 . 51519 1 391 . 1 . 1 58 58 LEU CD2 C 13 24.217 0.047 . 2 . . . . . 58 LEU CD2 . 51519 1 392 . 1 . 1 58 58 LEU N N 15 123.555 0.051 . 1 . . . . . 58 LEU N . 51519 1 393 . 1 . 1 59 59 SER H H 1 7.845 0.004 . 1 . . . . . 59 SER H . 51519 1 394 . 1 . 1 59 59 SER HA H 1 4.488 0.003 . 1 . . . . . 59 SER HA . 51519 1 395 . 1 . 1 59 59 SER HB2 H 1 3.950 0.000 . 2 . . . . . 59 SER HB2 . 51519 1 396 . 1 . 1 59 59 SER HB3 H 1 3.935 0.000 . 2 . . . . . 59 SER HB3 . 51519 1 397 . 1 . 1 59 59 SER C C 13 176.993 0.000 . 1 . . . . . 59 SER C . 51519 1 398 . 1 . 1 59 59 SER CA C 13 59.020 0.000 . 1 . . . . . 59 SER CA . 51519 1 399 . 1 . 1 59 59 SER CB C 13 62.088 0.000 . 1 . . . . . 59 SER CB . 51519 1 400 . 1 . 1 59 59 SER N N 15 113.339 0.032 . 1 . . . . . 59 SER N . 51519 1 401 . 1 . 1 60 60 GLN H H 1 7.861 0.014 . 1 . . . . . 60 GLN H . 51519 1 402 . 1 . 1 60 60 GLN HA H 1 4.052 0.008 . 1 . . . . . 60 GLN HA . 51519 1 403 . 1 . 1 60 60 GLN HB2 H 1 2.128 0.006 . 2 . . . . . 60 GLN HB2 . 51519 1 404 . 1 . 1 60 60 GLN HB3 H 1 2.160 0.016 . 2 . . . . . 60 GLN HB3 . 51519 1 405 . 1 . 1 60 60 GLN HG2 H 1 2.367 0.000 . 2 . . . . . 60 GLN HG2 . 51519 1 406 . 1 . 1 60 60 GLN HG3 H 1 2.358 0.000 . 2 . . . . . 60 GLN HG3 . 51519 1 407 . 1 . 1 60 60 GLN HE21 H 1 7.310 0.000 . 1 . . . . . 60 GLN HE21 . 51519 1 408 . 1 . 1 60 60 GLN HE22 H 1 6.697 0.000 . 1 . . . . . 60 GLN HE22 . 51519 1 409 . 1 . 1 60 60 GLN C C 13 178.599 0.023 . 1 . . . . . 60 GLN C . 51519 1 410 . 1 . 1 60 60 GLN CA C 13 58.536 0.056 . 1 . . . . . 60 GLN CA . 51519 1 411 . 1 . 1 60 60 GLN CB C 13 28.847 0.022 . 1 . . . . . 60 GLN CB . 51519 1 412 . 1 . 1 60 60 GLN CG C 13 33.993 0.118 . 1 . . . . . 60 GLN CG . 51519 1 413 . 1 . 1 60 60 GLN N N 15 120.338 0.027 . 1 . . . . . 60 GLN N . 51519 1 414 . 1 . 1 60 60 GLN NE2 N 15 111.265 0.000 . 1 . . . . . 60 GLN NE2 . 51519 1 415 . 1 . 1 61 61 LYS H H 1 8.234 0.011 . 1 . . . . . 61 LYS H . 51519 1 416 . 1 . 1 61 61 LYS HA H 1 4.029 0.012 . 1 . . . . . 61 LYS HA . 51519 1 417 . 1 . 1 61 61 LYS HB2 H 1 1.772 0.004 . 2 . . . . . 61 LYS HB2 . 51519 1 418 . 1 . 1 61 61 LYS HB3 H 1 1.893 0.006 . 2 . . . . . 61 LYS HB3 . 51519 1 419 . 1 . 1 61 61 LYS HG2 H 1 1.527 0.004 . 2 . . . . . 61 LYS HG2 . 51519 1 420 . 1 . 1 61 61 LYS HG3 H 1 1.464 0.004 . 2 . . . . . 61 LYS HG3 . 51519 1 421 . 1 . 1 61 61 LYS C C 13 179.209 0.000 . 1 . . . . . 61 LYS C . 51519 1 422 . 1 . 1 61 61 LYS CA C 13 59.138 0.049 . 1 . . . . . 61 LYS CA . 51519 1 423 . 1 . 1 61 61 LYS CB C 13 32.771 0.060 . 1 . . . . . 61 LYS CB . 51519 1 424 . 1 . 1 61 61 LYS CG C 13 25.895 0.115 . 1 . . . . . 61 LYS CG . 51519 1 425 . 1 . 1 61 61 LYS CD C 13 29.446 0.061 . 1 . . . . . 61 LYS CD . 51519 1 426 . 1 . 1 61 61 LYS CE C 13 42.083 0.156 . 1 . . . . . 61 LYS CE . 51519 1 427 . 1 . 1 61 61 LYS N N 15 120.245 0.016 . 1 . . . . . 61 LYS N . 51519 1 428 . 1 . 1 62 62 LEU H H 1 8.459 0.009 . 1 . . . . . 62 LEU H . 51519 1 429 . 1 . 1 62 62 LEU HA H 1 4.019 0.024 . 1 . . . . . 62 LEU HA . 51519 1 430 . 1 . 1 62 62 LEU HB2 H 1 1.679 0.016 . 2 . . . . . 62 LEU HB2 . 51519 1 431 . 1 . 1 62 62 LEU HB3 H 1 1.581 0.004 . 2 . . . . . 62 LEU HB3 . 51519 1 432 . 1 . 1 62 62 LEU HG H 1 1.682 0.012 . 1 . . . . . 62 LEU HG . 51519 1 433 . 1 . 1 62 62 LEU HD11 H 1 0.824 0.008 . 2 . . . . . 62 LEU HD11 . 51519 1 434 . 1 . 1 62 62 LEU HD12 H 1 0.824 0.008 . 2 . . . . . 62 LEU HD12 . 51519 1 435 . 1 . 1 62 62 LEU HD13 H 1 0.824 0.008 . 2 . . . . . 62 LEU HD13 . 51519 1 436 . 1 . 1 62 62 LEU HD21 H 1 0.749 0.013 . 2 . . . . . 62 LEU HD21 . 51519 1 437 . 1 . 1 62 62 LEU HD22 H 1 0.749 0.013 . 2 . . . . . 62 LEU HD22 . 51519 1 438 . 1 . 1 62 62 LEU HD23 H 1 0.749 0.013 . 2 . . . . . 62 LEU HD23 . 51519 1 439 . 1 . 1 62 62 LEU C C 13 179.164 0.000 . 1 . . . . . 62 LEU C . 51519 1 440 . 1 . 1 62 62 LEU CA C 13 57.936 0.153 . 1 . . . . . 62 LEU CA . 51519 1 441 . 1 . 1 62 62 LEU CB C 13 42.033 0.000 . 1 . . . . . 62 LEU CB . 51519 1 442 . 1 . 1 62 62 LEU CG C 13 26.843 0.008 . 1 . . . . . 62 LEU CG . 51519 1 443 . 1 . 1 62 62 LEU CD1 C 13 24.932 0.021 . 2 . . . . . 62 LEU CD1 . 51519 1 444 . 1 . 1 62 62 LEU CD2 C 13 23.617 0.014 . 2 . . . . . 62 LEU CD2 . 51519 1 445 . 1 . 1 62 62 LEU N N 15 119.008 0.005 . 1 . . . . . 62 LEU N . 51519 1 446 . 1 . 1 63 63 GLU H H 1 7.764 0.018 . 1 . . . . . 63 GLU H . 51519 1 447 . 1 . 1 63 63 GLU C C 13 179.047 0.117 . 1 . . . . . 63 GLU C . 51519 1 448 . 1 . 1 63 63 GLU CA C 13 59.299 0.000 . 1 . . . . . 63 GLU CA . 51519 1 449 . 1 . 1 63 63 GLU CB C 13 29.558 0.000 . 1 . . . . . 63 GLU CB . 51519 1 450 . 1 . 1 63 63 GLU N N 15 117.768 0.029 . 1 . . . . . 63 GLU N . 51519 1 451 . 1 . 1 64 64 MET H H 1 7.520 0.016 . 1 . . . . . 64 MET H . 51519 1 452 . 1 . 1 64 64 MET C C 13 178.066 0.020 . 1 . . . . . 64 MET C . 51519 1 453 . 1 . 1 64 64 MET CA C 13 57.137 0.000 . 1 . . . . . 64 MET CA . 51519 1 454 . 1 . 1 64 64 MET CB C 13 32.647 0.000 . 1 . . . . . 64 MET CB . 51519 1 455 . 1 . 1 64 64 MET N N 15 116.281 0.083 . 1 . . . . . 64 MET N . 51519 1 456 . 1 . 1 65 65 MET H H 1 7.980 0.006 . 1 . . . . . 65 MET H . 51519 1 457 . 1 . 1 65 65 MET HE1 H 1 1.986 0.003 . 1 . . . . . 65 MET HE1 . 51519 1 458 . 1 . 1 65 65 MET HE2 H 1 1.986 0.003 . 1 . . . . . 65 MET HE2 . 51519 1 459 . 1 . 1 65 65 MET HE3 H 1 1.986 0.003 . 1 . . . . . 65 MET HE3 . 51519 1 460 . 1 . 1 65 65 MET C C 13 177.933 0.019 . 1 . . . . . 65 MET C . 51519 1 461 . 1 . 1 65 65 MET CA C 13 58.570 0.041 . 1 . . . . . 65 MET CA . 51519 1 462 . 1 . 1 65 65 MET CE C 13 17.250 0.022 . 1 . . . . . 65 MET CE . 51519 1 463 . 1 . 1 65 65 MET N N 15 118.537 0.008 . 1 . . . . . 65 MET N . 51519 1 464 . 1 . 1 66 66 VAL H H 1 7.959 0.008 . 1 . . . . . 66 VAL H . 51519 1 465 . 1 . 1 66 66 VAL HA H 1 3.873 0.000 . 1 . . . . . 66 VAL HA . 51519 1 466 . 1 . 1 66 66 VAL HB H 1 2.104 0.000 . 1 . . . . . 66 VAL HB . 51519 1 467 . 1 . 1 66 66 VAL C C 13 176.701 0.025 . 1 . . . . . 66 VAL C . 51519 1 468 . 1 . 1 66 66 VAL CA C 13 63.518 0.000 . 1 . . . . . 66 VAL CA . 51519 1 469 . 1 . 1 66 66 VAL CB C 13 32.142 0.000 . 1 . . . . . 66 VAL CB . 51519 1 470 . 1 . 1 66 66 VAL N N 15 117.901 0.024 . 1 . . . . . 66 VAL N . 51519 1 471 . 1 . 1 67 67 ALA H H 1 7.779 0.007 . 1 . . . . . 67 ALA H . 51519 1 472 . 1 . 1 67 67 ALA C C 13 178.399 0.000 . 1 . . . . . 67 ALA C . 51519 1 473 . 1 . 1 67 67 ALA CA C 13 53.977 0.000 . 1 . . . . . 67 ALA CA . 51519 1 474 . 1 . 1 67 67 ALA CB C 13 18.553 0.000 . 1 . . . . . 67 ALA CB . 51519 1 475 . 1 . 1 67 67 ALA N N 15 123.940 0.123 . 1 . . . . . 67 ALA N . 51519 1 476 . 1 . 1 68 68 LYS H H 1 7.883 0.008 . 1 . . . . . 68 LYS H . 51519 1 477 . 1 . 1 68 68 LYS C C 13 176.605 0.000 . 1 . . . . . 68 LYS C . 51519 1 478 . 1 . 1 68 68 LYS CA C 13 57.314 0.096 . 1 . . . . . 68 LYS CA . 51519 1 479 . 1 . 1 68 68 LYS CB C 13 32.685 0.000 . 1 . . . . . 68 LYS CB . 51519 1 480 . 1 . 1 68 68 LYS N N 15 119.190 0.056 . 1 . . . . . 68 LYS N . 51519 1 481 . 1 . 1 69 69 ALA H H 1 7.888 0.003 . 1 . . . . . 69 ALA H . 51519 1 482 . 1 . 1 69 69 ALA C C 13 178.379 0.000 . 1 . . . . . 69 ALA C . 51519 1 483 . 1 . 1 69 69 ALA CA C 13 53.235 0.021 . 1 . . . . . 69 ALA CA . 51519 1 484 . 1 . 1 69 69 ALA CB C 13 18.850 0.076 . 1 . . . . . 69 ALA CB . 51519 1 485 . 1 . 1 69 69 ALA N N 15 123.629 0.195 . 1 . . . . . 69 ALA N . 51519 1 486 . 1 . 1 70 70 GLU H H 1 7.862 0.005 . 1 . . . . . 70 GLU H . 51519 1 487 . 1 . 1 70 70 GLU C C 13 176.599 0.000 . 1 . . . . . 70 GLU C . 51519 1 488 . 1 . 1 70 70 GLU CA C 13 56.645 0.000 . 1 . . . . . 70 GLU CA . 51519 1 489 . 1 . 1 70 70 GLU CB C 13 32.778 0.065 . 1 . . . . . 70 GLU CB . 51519 1 490 . 1 . 1 70 70 GLU N N 15 119.206 0.055 . 1 . . . . . 70 GLU N . 51519 1 stop_ save_