data_52736 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52736 _Entry.Title ; DNAJB6 JD-GF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-12-02 _Entry.Accession_date 2024-12-02 _Entry.Last_release_date 2024-12-02 _Entry.Original_release_date 2024-12-02 _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 . _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 Billy Hobbs . . . . 52736 2 Theodoros Karamanos . . . . 52736 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Imperial College London' . 52736 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52736 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 254 52736 '15N chemical shifts' 80 52736 '1H chemical shifts' 80 52736 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-06-04 . original BMRB . 52736 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30656 . 52736 PDB 6U3R . 52736 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52736 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40450039 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A low-complexity linker as a driver of intra- and intermolecular interactions in DNAJB chaperones ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 5070 _Citation.Page_last 5070 _Citation.Year 2025 _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 Billy Hobbs . . . . 52736 1 2 Noor Limmer . . . . 52736 1 3 Felipe Ossa . . . . 52736 1 4 Ella Knupling . . . . 52736 1 5 Samuel Lenton . J. . . 52736 1 6 Vito Fodera . . . . 52736 1 7 Arnout Kalverda . P. . . 52736 1 8 Theordoros Karamanos . K. . . 52736 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52736 _Assembly.ID 1 _Assembly.Name 'DNAJB6 JD-GF' _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 yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11028.29 _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 'DNAJB6 JD-GF' 1 $entity_1 . . yes native no no . . . 52736 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52736 _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 ; MVDYYEVLGVQRHASPEDIK KAYRKLALKWHPDKNPENKE EAERKFKQVAEAYEVLSDAK KRDIYDKYGKEGLNGGGGGG SHFDSPFEFGFTFRNP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11028.29 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52736 1 2 . VAL . 52736 1 3 . ASP . 52736 1 4 . TYR . 52736 1 5 . TYR . 52736 1 6 . GLU . 52736 1 7 . VAL . 52736 1 8 . LEU . 52736 1 9 . GLY . 52736 1 10 . VAL . 52736 1 11 . GLN . 52736 1 12 . ARG . 52736 1 13 . HIS . 52736 1 14 . ALA . 52736 1 15 . SER . 52736 1 16 . PRO . 52736 1 17 . GLU . 52736 1 18 . ASP . 52736 1 19 . ILE . 52736 1 20 . LYS . 52736 1 21 . LYS . 52736 1 22 . ALA . 52736 1 23 . TYR . 52736 1 24 . ARG . 52736 1 25 . LYS . 52736 1 26 . LEU . 52736 1 27 . ALA . 52736 1 28 . LEU . 52736 1 29 . LYS . 52736 1 30 . TRP . 52736 1 31 . HIS . 52736 1 32 . PRO . 52736 1 33 . ASP . 52736 1 34 . LYS . 52736 1 35 . ASN . 52736 1 36 . PRO . 52736 1 37 . GLU . 52736 1 38 . ASN . 52736 1 39 . LYS . 52736 1 40 . GLU . 52736 1 41 . GLU . 52736 1 42 . ALA . 52736 1 43 . GLU . 52736 1 44 . ARG . 52736 1 45 . LYS . 52736 1 46 . PHE . 52736 1 47 . LYS . 52736 1 48 . GLN . 52736 1 49 . VAL . 52736 1 50 . ALA . 52736 1 51 . GLU . 52736 1 52 . ALA . 52736 1 53 . TYR . 52736 1 54 . GLU . 52736 1 55 . VAL . 52736 1 56 . LEU . 52736 1 57 . SER . 52736 1 58 . ASP . 52736 1 59 . ALA . 52736 1 60 . LYS . 52736 1 61 . LYS . 52736 1 62 . ARG . 52736 1 63 . ASP . 52736 1 64 . ILE . 52736 1 65 . TYR . 52736 1 66 . ASP . 52736 1 67 . LYS . 52736 1 68 . TYR . 52736 1 69 . GLY . 52736 1 70 . LYS . 52736 1 71 . GLU . 52736 1 72 . GLY . 52736 1 73 . LEU . 52736 1 74 . ASN . 52736 1 75 . GLY . 52736 1 76 . GLY . 52736 1 77 . GLY . 52736 1 78 . GLY . 52736 1 79 . GLY . 52736 1 80 . GLY . 52736 1 81 . SER . 52736 1 82 . HIS . 52736 1 83 . PHE . 52736 1 84 . ASP . 52736 1 85 . SER . 52736 1 86 . PRO . 52736 1 87 . PHE . 52736 1 88 . GLU . 52736 1 89 . PHE . 52736 1 90 . GLY . 52736 1 91 . PHE . 52736 1 92 . THR . 52736 1 93 . PHE . 52736 1 94 . ARG . 52736 1 95 . ASN . 52736 1 96 . PRO . 52736 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52736 1 . VAL 2 2 52736 1 . ASP 3 3 52736 1 . TYR 4 4 52736 1 . TYR 5 5 52736 1 . GLU 6 6 52736 1 . VAL 7 7 52736 1 . LEU 8 8 52736 1 . GLY 9 9 52736 1 . VAL 10 10 52736 1 . GLN 11 11 52736 1 . ARG 12 12 52736 1 . HIS 13 13 52736 1 . ALA 14 14 52736 1 . SER 15 15 52736 1 . PRO 16 16 52736 1 . GLU 17 17 52736 1 . ASP 18 18 52736 1 . ILE 19 19 52736 1 . LYS 20 20 52736 1 . LYS 21 21 52736 1 . ALA 22 22 52736 1 . TYR 23 23 52736 1 . ARG 24 24 52736 1 . LYS 25 25 52736 1 . LEU 26 26 52736 1 . ALA 27 27 52736 1 . LEU 28 28 52736 1 . LYS 29 29 52736 1 . TRP 30 30 52736 1 . HIS 31 31 52736 1 . PRO 32 32 52736 1 . ASP 33 33 52736 1 . LYS 34 34 52736 1 . ASN 35 35 52736 1 . PRO 36 36 52736 1 . GLU 37 37 52736 1 . ASN 38 38 52736 1 . LYS 39 39 52736 1 . GLU 40 40 52736 1 . GLU 41 41 52736 1 . ALA 42 42 52736 1 . GLU 43 43 52736 1 . ARG 44 44 52736 1 . LYS 45 45 52736 1 . PHE 46 46 52736 1 . LYS 47 47 52736 1 . GLN 48 48 52736 1 . VAL 49 49 52736 1 . ALA 50 50 52736 1 . GLU 51 51 52736 1 . ALA 52 52 52736 1 . TYR 53 53 52736 1 . GLU 54 54 52736 1 . VAL 55 55 52736 1 . LEU 56 56 52736 1 . SER 57 57 52736 1 . ASP 58 58 52736 1 . ALA 59 59 52736 1 . LYS 60 60 52736 1 . LYS 61 61 52736 1 . ARG 62 62 52736 1 . ASP 63 63 52736 1 . ILE 64 64 52736 1 . TYR 65 65 52736 1 . ASP 66 66 52736 1 . LYS 67 67 52736 1 . TYR 68 68 52736 1 . GLY 69 69 52736 1 . LYS 70 70 52736 1 . GLU 71 71 52736 1 . GLY 72 72 52736 1 . LEU 73 73 52736 1 . ASN 74 74 52736 1 . GLY 75 75 52736 1 . GLY 76 76 52736 1 . GLY 77 77 52736 1 . GLY 78 78 52736 1 . GLY 79 79 52736 1 . GLY 80 80 52736 1 . SER 81 81 52736 1 . HIS 82 82 52736 1 . PHE 83 83 52736 1 . ASP 84 84 52736 1 . SER 85 85 52736 1 . PRO 86 86 52736 1 . PHE 87 87 52736 1 . GLU 88 88 52736 1 . PHE 89 89 52736 1 . GLY 90 90 52736 1 . PHE 91 91 52736 1 . THR 92 92 52736 1 . PHE 93 93 52736 1 . ARG 94 94 52736 1 . ASN 95 95 52736 1 . PRO 96 96 52736 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 52736 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52736 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 52736 _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 'BL21 (DE3)' . . plasmid . . pET-15b . . . 52736 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52736 _Sample.ID 1 _Sample.Name 'DNAJB6 JD-GF' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNAJB6 JD-GF' '[U-13C; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 52736 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52736 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52736 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 52736 1 5 MES 'natural abundance' . . . . . . 5 . . mM . . . . 52736 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 52736 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions' _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' 75 . mM 52736 1 pH 7 . pH 52736 1 pressure 1 . atm 52736 1 temperature 298 . K 52736 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52736 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52736 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52736 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52736 2 'peak picking' . 52736 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52736 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52736 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 52736 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 52736 _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 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52736 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52736 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52736 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52736 1 5 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52736 1 6 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52736 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 52736 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name referencing _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 water protons . . . . ppm 4.78 internal indirect . . . . . . 52736 1 H 1 water protons . . . . ppm 4.78 internal direct 1 . . . . . 52736 1 N 15 water protons . . . . ppm 4.78 internal indirect . . . . . . 52736 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 52736 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shifts' _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' . . . 52736 1 2 '3D CBCA(CO)NH' . . . 52736 1 3 '3D HNCO' . . . 52736 1 4 '3D HNCACB' . . . 52736 1 5 '3D HNCA' . . . 52736 1 6 '3D HNCACO' . . . 52736 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 . . 52736 1 2 $software_2 . . 52736 1 3 $software_3 . . 52736 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 VAL C C 13 170.349 . . 1 . . . . . 2 VAL C . 52736 1 2 . 1 . 1 2 2 VAL CA C 13 62.961 . . 1 . . . . . 2 VAL CA . 52736 1 3 . 1 . 1 2 2 VAL CB C 13 34.020 . . 1 . . . . . 2 VAL CB . 52736 1 4 . 1 . 1 3 3 ASP H H 1 8.548 . . 1 . . . . . 3 ASP HN . 52736 1 5 . 1 . 1 3 3 ASP C C 13 172.497 . . 1 . . . . . 3 ASP C . 52736 1 6 . 1 . 1 3 3 ASP CA C 13 53.691 . . 1 . . . . . 3 ASP CA . 52736 1 7 . 1 . 1 3 3 ASP CB C 13 43.388 . . 1 . . . . . 3 ASP CB . 52736 1 8 . 1 . 1 3 3 ASP N N 15 126.087 . . 1 . . . . . 3 ASP N . 52736 1 9 . 1 . 1 4 4 TYR H H 1 7.689 . . 1 . . . . . 4 TYR HN . 52736 1 10 . 1 . 1 4 4 TYR C C 13 172.925 . . 1 . . . . . 4 TYR C . 52736 1 11 . 1 . 1 4 4 TYR CA C 13 59.282 . . 1 . . . . . 4 TYR CA . 52736 1 12 . 1 . 1 4 4 TYR CB C 13 38.936 . . 1 . . . . . 4 TYR CB . 52736 1 13 . 1 . 1 4 4 TYR N N 15 122.348 . . 1 . . . . . 4 TYR N . 52736 1 14 . 1 . 1 5 5 TYR H H 1 7.901 . . 1 . . . . . 5 TYR HN . 52736 1 15 . 1 . 1 5 5 TYR C C 13 173.912 . . 1 . . . . . 5 TYR C . 52736 1 16 . 1 . 1 5 5 TYR CA C 13 63.624 . . 1 . . . . . 5 TYR CA . 52736 1 17 . 1 . 1 5 5 TYR CB C 13 36.772 . . 1 . . . . . 5 TYR CB . 52736 1 18 . 1 . 1 5 5 TYR N N 15 116.468 . . 1 . . . . . 5 TYR N . 52736 1 19 . 1 . 1 6 6 GLU H H 1 7.674 . . 1 . . . . . 6 GLU HN . 52736 1 20 . 1 . 1 6 6 GLU C C 13 176.136 . . 1 . . . . . 6 GLU C . 52736 1 21 . 1 . 1 6 6 GLU CA C 13 60.043 . . 1 . . . . . 6 GLU CA . 52736 1 22 . 1 . 1 6 6 GLU CB C 13 30.346 . . 1 . . . . . 6 GLU CB . 52736 1 23 . 1 . 1 6 6 GLU N N 15 120.240 . . 1 . . . . . 6 GLU N . 52736 1 24 . 1 . 1 7 7 VAL H H 1 8.094 . . 1 . . . . . 7 VAL HN . 52736 1 25 . 1 . 1 7 7 VAL C C 13 173.199 . . 1 . . . . . 7 VAL C . 52736 1 26 . 1 . 1 7 7 VAL CA C 13 67.258 . . 1 . . . . . 7 VAL CA . 52736 1 27 . 1 . 1 7 7 VAL CB C 13 32.471 . . 1 . . . . . 7 VAL CB . 52736 1 28 . 1 . 1 7 7 VAL N N 15 119.978 . . 1 . . . . . 7 VAL N . 52736 1 29 . 1 . 1 8 8 LEU H H 1 6.960 . . 1 . . . . . 8 LEU HN . 52736 1 30 . 1 . 1 8 8 LEU C C 13 171.412 . . 1 . . . . . 8 LEU C . 52736 1 31 . 1 . 1 8 8 LEU CA C 13 55.553 . . 1 . . . . . 8 LEU CA . 52736 1 32 . 1 . 1 8 8 LEU CB C 13 43.674 . . 1 . . . . . 8 LEU CB . 52736 1 33 . 1 . 1 8 8 LEU N N 15 113.939 . . 1 . . . . . 8 LEU N . 52736 1 34 . 1 . 1 9 9 GLY H H 1 7.935 . . 1 . . . . . 9 GLY HN . 52736 1 35 . 1 . 1 9 9 GLY C C 13 171.201 . . 1 . . . . . 9 GLY C . 52736 1 36 . 1 . 1 9 9 GLY CA C 13 47.600 . . 1 . . . . . 9 GLY CA . 52736 1 37 . 1 . 1 9 9 GLY N N 15 108.727 . . 1 . . . . . 9 GLY N . 52736 1 38 . 1 . 1 10 10 VAL H H 1 7.837 . . 1 . . . . . 10 VAL HN . 52736 1 39 . 1 . 1 10 10 VAL C C 13 170.455 . . 1 . . . . . 10 VAL C . 52736 1 40 . 1 . 1 10 10 VAL CA C 13 59.188 . . 1 . . . . . 10 VAL CA . 52736 1 41 . 1 . 1 10 10 VAL CB C 13 35.692 . . 1 . . . . . 10 VAL CB . 52736 1 42 . 1 . 1 10 10 VAL N N 15 110.380 . . 1 . . . . . 10 VAL N . 52736 1 43 . 1 . 1 11 11 GLN H H 1 8.231 . . 1 . . . . . 11 GLN HN . 52736 1 44 . 1 . 1 11 11 GLN C C 13 172.464 . . 1 . . . . . 11 GLN C . 52736 1 45 . 1 . 1 11 11 GLN CA C 13 55.537 . . 1 . . . . . 11 GLN CA . 52736 1 46 . 1 . 1 11 11 GLN CB C 13 30.711 . . 1 . . . . . 11 GLN CB . 52736 1 47 . 1 . 1 11 11 GLN N N 15 117.931 . . 1 . . . . . 11 GLN N . 52736 1 48 . 1 . 1 12 12 ARG H H 1 8.198 . . 1 . . . . . 12 ARG HN . 52736 1 49 . 1 . 1 12 12 ARG C C 13 172.153 . . 1 . . . . . 12 ARG C . 52736 1 50 . 1 . 1 12 12 ARG CA C 13 59.176 . . 1 . . . . . 12 ARG CA . 52736 1 51 . 1 . 1 12 12 ARG CB C 13 30.378 . . 1 . . . . . 12 ARG CB . 52736 1 52 . 1 . 1 12 12 ARG N N 15 117.834 . . 1 . . . . . 12 ARG N . 52736 1 53 . 1 . 1 13 13 HIS H H 1 7.068 . . 1 . . . . . 13 HIS HN . 52736 1 54 . 1 . 1 13 13 HIS C C 13 170.650 . . 1 . . . . . 13 HIS C . 52736 1 55 . 1 . 1 13 13 HIS CA C 13 55.582 . . 1 . . . . . 13 HIS CA . 52736 1 56 . 1 . 1 13 13 HIS CB C 13 29.886 . . 1 . . . . . 13 HIS CB . 52736 1 57 . 1 . 1 13 13 HIS N N 15 112.236 . . 1 . . . . . 13 HIS N . 52736 1 58 . 1 . 1 14 14 ALA H H 1 7.442 . . 1 . . . . . 14 ALA HN . 52736 1 59 . 1 . 1 14 14 ALA C C 13 173.322 . . 1 . . . . . 14 ALA C . 52736 1 60 . 1 . 1 14 14 ALA CA C 13 53.763 . . 1 . . . . . 14 ALA CA . 52736 1 61 . 1 . 1 14 14 ALA CB C 13 20.461 . . 1 . . . . . 14 ALA CB . 52736 1 62 . 1 . 1 14 14 ALA N N 15 123.169 . . 1 . . . . . 14 ALA N . 52736 1 63 . 1 . 1 15 15 SER H H 1 9.276 . . 1 . . . . . 15 SER HN . 52736 1 64 . 1 . 1 15 15 SER C C 13 169.138 . . 1 . . . . . 15 SER C . 52736 1 65 . 1 . 1 15 15 SER CA C 13 57.406 . . 1 . . . . . 15 SER CA . 52736 1 66 . 1 . 1 15 15 SER CB C 13 64.345 . . 1 . . . . . 15 SER CB . 52736 1 67 . 1 . 1 15 15 SER N N 15 119.759 . . 1 . . . . . 15 SER N . 52736 1 68 . 1 . 1 16 16 PRO C C 13 175.490 . . 1 . . . . . 16 PRO C . 52736 1 69 . 1 . 1 16 16 PRO CA C 13 66.934 . . 1 . . . . . 16 PRO CA . 52736 1 70 . 1 . 1 16 16 PRO CB C 13 32.876 . . 1 . . . . . 16 PRO CB . 52736 1 71 . 1 . 1 17 17 GLU H H 1 8.407 . . 1 . . . . . 17 GLU HN . 52736 1 72 . 1 . 1 17 17 GLU C C 13 174.313 . . 1 . . . . . 17 GLU C . 52736 1 73 . 1 . 1 17 17 GLU CA C 13 60.891 . . 1 . . . . . 17 GLU CA . 52736 1 74 . 1 . 1 17 17 GLU CB C 13 30.091 . . 1 . . . . . 17 GLU CB . 52736 1 75 . 1 . 1 17 17 GLU N N 15 117.724 . . 1 . . . . . 17 GLU N . 52736 1 76 . 1 . 1 18 18 ASP H H 1 8.060 . . 1 . . . . . 18 ASP HN . 52736 1 77 . 1 . 1 18 18 ASP C C 13 175.732 . . 1 . . . . . 18 ASP C . 52736 1 78 . 1 . 1 18 18 ASP CA C 13 58.548 . . 1 . . . . . 18 ASP CA . 52736 1 79 . 1 . 1 18 18 ASP CB C 13 41.648 . . 1 . . . . . 18 ASP CB . 52736 1 80 . 1 . 1 18 18 ASP N N 15 122.135 . . 1 . . . . . 18 ASP N . 52736 1 81 . 1 . 1 19 19 ILE H H 1 7.996 . . 1 . . . . . 19 ILE HN . 52736 1 82 . 1 . 1 19 19 ILE C C 13 172.452 . . 1 . . . . . 19 ILE C . 52736 1 83 . 1 . 1 19 19 ILE CA C 13 66.726 . . 1 . . . . . 19 ILE CA . 52736 1 84 . 1 . 1 19 19 ILE CB C 13 38.927 . . 1 . . . . . 19 ILE CB . 52736 1 85 . 1 . 1 19 19 ILE N N 15 122.025 . . 1 . . . . . 19 ILE N . 52736 1 86 . 1 . 1 20 20 LYS H H 1 8.006 . . 1 . . . . . 20 LYS HN . 52736 1 87 . 1 . 1 20 20 LYS C C 13 174.196 . . 1 . . . . . 20 LYS C . 52736 1 88 . 1 . 1 20 20 LYS CA C 13 61.668 . . 1 . . . . . 20 LYS CA . 52736 1 89 . 1 . 1 20 20 LYS CB C 13 33.502 . . 1 . . . . . 20 LYS CB . 52736 1 90 . 1 . 1 20 20 LYS N N 15 120.283 . . 1 . . . . . 20 LYS N . 52736 1 91 . 1 . 1 21 21 LYS H H 1 8.251 . . 1 . . . . . 21 LYS HN . 52736 1 92 . 1 . 1 21 21 LYS C C 13 174.850 . . 1 . . . . . 21 LYS C . 52736 1 93 . 1 . 1 21 21 LYS CA C 13 61.023 . . 1 . . . . . 21 LYS CA . 52736 1 94 . 1 . 1 21 21 LYS CB C 13 33.824 . . 1 . . . . . 21 LYS CB . 52736 1 95 . 1 . 1 21 21 LYS N N 15 118.498 . . 1 . . . . . 21 LYS N . 52736 1 96 . 1 . 1 22 22 ALA H H 1 7.841 . . 1 . . . . . 22 ALA HN . 52736 1 97 . 1 . 1 22 22 ALA C C 13 175.571 . . 1 . . . . . 22 ALA C . 52736 1 98 . 1 . 1 22 22 ALA CA C 13 56.136 . . 1 . . . . . 22 ALA CA . 52736 1 99 . 1 . 1 22 22 ALA CB C 13 19.982 . . 1 . . . . . 22 ALA CB . 52736 1 100 . 1 . 1 22 22 ALA N N 15 122.300 . . 1 . . . . . 22 ALA N . 52736 1 101 . 1 . 1 23 23 TYR H H 1 8.280 . . 1 . . . . . 23 TYR HN . 52736 1 102 . 1 . 1 23 23 TYR C C 13 171.596 . . 1 . . . . . 23 TYR C . 52736 1 103 . 1 . 1 23 23 TYR CA C 13 62.116 . . 1 . . . . . 23 TYR CA . 52736 1 104 . 1 . 1 23 23 TYR CB C 13 39.982 . . 1 . . . . . 23 TYR CB . 52736 1 105 . 1 . 1 23 23 TYR N N 15 117.420 . . 1 . . . . . 23 TYR N . 52736 1 106 . 1 . 1 24 24 ARG H H 1 8.166 . . 1 . . . . . 24 ARG HN . 52736 1 107 . 1 . 1 24 24 ARG C C 13 174.674 . . 1 . . . . . 24 ARG C . 52736 1 108 . 1 . 1 24 24 ARG CA C 13 60.487 . . 1 . . . . . 24 ARG CA . 52736 1 109 . 1 . 1 24 24 ARG CB C 13 30.612 . . 1 . . . . . 24 ARG CB . 52736 1 110 . 1 . 1 24 24 ARG N N 15 117.409 . . 1 . . . . . 24 ARG N . 52736 1 111 . 1 . 1 25 25 LYS H H 1 7.445 . . 1 . . . . . 25 LYS HN . 52736 1 112 . 1 . 1 25 25 LYS C C 13 175.335 . . 1 . . . . . 25 LYS C . 52736 1 113 . 1 . 1 25 25 LYS CA C 13 60.426 . . 1 . . . . . 25 LYS CA . 52736 1 114 . 1 . 1 25 25 LYS CB C 13 33.599 . . 1 . . . . . 25 LYS CB . 52736 1 115 . 1 . 1 25 25 LYS N N 15 116.908 . . 1 . . . . . 25 LYS N . 52736 1 116 . 1 . 1 26 26 LEU H H 1 7.991 . . 1 . . . . . 26 LEU HN . 52736 1 117 . 1 . 1 26 26 LEU C C 13 174.042 . . 1 . . . . . 26 LEU C . 52736 1 118 . 1 . 1 26 26 LEU CA C 13 58.525 . . 1 . . . . . 26 LEU CA . 52736 1 119 . 1 . 1 26 26 LEU CB C 13 44.260 . . 1 . . . . . 26 LEU CB . 52736 1 120 . 1 . 1 26 26 LEU N N 15 121.263 . . 1 . . . . . 26 LEU N . 52736 1 121 . 1 . 1 27 27 ALA H H 1 8.988 . . 1 . . . . . 27 ALA HN . 52736 1 122 . 1 . 1 27 27 ALA C C 13 175.305 . . 1 . . . . . 27 ALA C . 52736 1 123 . 1 . 1 27 27 ALA CA C 13 55.907 . . 1 . . . . . 27 ALA CA . 52736 1 124 . 1 . 1 27 27 ALA CB C 13 18.093 . . 1 . . . . . 27 ALA CB . 52736 1 125 . 1 . 1 27 27 ALA N N 15 122.853 . . 1 . . . . . 27 ALA N . 52736 1 126 . 1 . 1 28 28 LEU H H 1 7.051 . . 1 . . . . . 28 LEU HN . 52736 1 127 . 1 . 1 28 28 LEU C C 13 174.396 . . 1 . . . . . 28 LEU C . 52736 1 128 . 1 . 1 28 28 LEU CA C 13 58.155 . . 1 . . . . . 28 LEU CA . 52736 1 129 . 1 . 1 28 28 LEU CB C 13 43.097 . . 1 . . . . . 28 LEU CB . 52736 1 130 . 1 . 1 28 28 LEU N N 15 115.437 . . 1 . . . . . 28 LEU N . 52736 1 131 . 1 . 1 29 29 LYS H H 1 7.336 . . 1 . . . . . 29 LYS HN . 52736 1 132 . 1 . 1 29 29 LYS C C 13 174.095 . . 1 . . . . . 29 LYS C . 52736 1 133 . 1 . 1 29 29 LYS CA C 13 59.799 . . 1 . . . . . 29 LYS CA . 52736 1 134 . 1 . 1 29 29 LYS CB C 13 34.170 . . 1 . . . . . 29 LYS CB . 52736 1 135 . 1 . 1 29 29 LYS N N 15 118.241 . . 1 . . . . . 29 LYS N . 52736 1 136 . 1 . 1 30 30 TRP H H 1 8.002 . . 1 . . . . . 30 TRP HN . 52736 1 137 . 1 . 1 30 30 TRP HE1 H 1 10.316 . . 1 . . . . . 30 TRP HE1 . 52736 1 138 . 1 . 1 30 30 TRP C C 13 169.099 . . 1 . . . . . 30 TRP C . 52736 1 139 . 1 . 1 30 30 TRP CA C 13 57.096 . . 1 . . . . . 30 TRP CA . 52736 1 140 . 1 . 1 30 30 TRP CB C 13 30.885 . . 1 . . . . . 30 TRP CB . 52736 1 141 . 1 . 1 30 30 TRP N N 15 114.298 . . 1 . . . . . 30 TRP N . 52736 1 142 . 1 . 1 30 30 TRP NE1 N 15 126.780 . . 1 . . . . . 30 TRP NE1 . 52736 1 143 . 1 . 1 31 31 HIS H H 1 7.181 . . 1 . . . . . 31 HIS HN . 52736 1 144 . 1 . 1 31 31 HIS C C 13 172.948 . . 1 . . . . . 31 HIS C . 52736 1 145 . 1 . 1 31 31 HIS CA C 13 58.083 . . 1 . . . . . 31 HIS CA . 52736 1 146 . 1 . 1 31 31 HIS CB C 13 31.901 . . 1 . . . . . 31 HIS CB . 52736 1 147 . 1 . 1 31 31 HIS N N 15 120.749 . . 1 . . . . . 31 HIS N . 52736 1 148 . 1 . 1 32 32 PRO C C 13 174.549 . . 1 . . . . . 32 PRO C . 52736 1 149 . 1 . 1 32 32 PRO CA C 13 67.171 . . 1 . . . . . 32 PRO CA . 52736 1 150 . 1 . 1 32 32 PRO CB C 13 32.934 . . 1 . . . . . 32 PRO CB . 52736 1 151 . 1 . 1 33 33 ASP H H 1 10.608 . . 1 . . . . . 33 ASP HN . 52736 1 152 . 1 . 1 33 33 ASP C C 13 173.786 . . 1 . . . . . 33 ASP C . 52736 1 153 . 1 . 1 33 33 ASP CA C 13 57.699 . . 1 . . . . . 33 ASP CA . 52736 1 154 . 1 . 1 33 33 ASP CB C 13 41.006 . . 1 . . . . . 33 ASP CB . 52736 1 155 . 1 . 1 33 33 ASP N N 15 120.157 . . 1 . . . . . 33 ASP N . 52736 1 156 . 1 . 1 34 34 LYS H H 1 7.815 . . 1 . . . . . 34 LYS HN . 52736 1 157 . 1 . 1 34 34 LYS C C 13 171.355 . . 1 . . . . . 34 LYS C . 52736 1 158 . 1 . 1 34 34 LYS CA C 13 55.442 . . 1 . . . . . 34 LYS CA . 52736 1 159 . 1 . 1 34 34 LYS CB C 13 33.389 . . 1 . . . . . 34 LYS CB . 52736 1 160 . 1 . 1 34 34 LYS N N 15 116.512 . . 1 . . . . . 34 LYS N . 52736 1 161 . 1 . 1 35 35 ASN H H 1 7.537 . . 1 . . . . . 35 ASN HN . 52736 1 162 . 1 . 1 35 35 ASN C C 13 167.832 . . 1 . . . . . 35 ASN C . 52736 1 163 . 1 . 1 35 35 ASN CA C 13 53.389 . . 1 . . . . . 35 ASN CA . 52736 1 164 . 1 . 1 35 35 ASN CB C 13 43.067 . . 1 . . . . . 35 ASN CB . 52736 1 165 . 1 . 1 35 35 ASN N N 15 118.709 . . 1 . . . . . 35 ASN N . 52736 1 166 . 1 . 1 36 36 PRO C C 13 174.027 . . 1 . . . . . 36 PRO C . 52736 1 167 . 1 . 1 36 36 PRO CA C 13 66.171 . . 1 . . . . . 36 PRO CA . 52736 1 168 . 1 . 1 36 36 PRO CB C 13 32.577 . . 1 . . . . . 36 PRO CB . 52736 1 169 . 1 . 1 37 37 GLU H H 1 8.689 . . 1 . . . . . 37 GLU HN . 52736 1 170 . 1 . 1 37 37 GLU C C 13 171.920 . . 1 . . . . . 37 GLU C . 52736 1 171 . 1 . 1 37 37 GLU CA C 13 57.831 . . 1 . . . . . 37 GLU CA . 52736 1 172 . 1 . 1 37 37 GLU CB C 13 30.375 . . 1 . . . . . 37 GLU CB . 52736 1 173 . 1 . 1 37 37 GLU N N 15 117.264 . . 1 . . . . . 37 GLU N . 52736 1 174 . 1 . 1 38 38 ASN H H 1 7.918 . . 1 . . . . . 38 ASN HN . 52736 1 175 . 1 . 1 38 38 ASN C C 13 170.966 . . 1 . . . . . 38 ASN C . 52736 1 176 . 1 . 1 38 38 ASN CA C 13 53.239 . . 1 . . . . . 38 ASN CA . 52736 1 177 . 1 . 1 38 38 ASN CB C 13 39.609 . . 1 . . . . . 38 ASN CB . 52736 1 178 . 1 . 1 38 38 ASN N N 15 119.849 . . 1 . . . . . 38 ASN N . 52736 1 179 . 1 . 1 39 39 LYS H H 1 8.105 . . 1 . . . . . 39 LYS HN . 52736 1 180 . 1 . 1 39 39 LYS C C 13 174.125 . . 1 . . . . . 39 LYS C . 52736 1 181 . 1 . 1 39 39 LYS CA C 13 61.949 . . 1 . . . . . 39 LYS CA . 52736 1 182 . 1 . 1 39 39 LYS CB C 13 34.155 . . 1 . . . . . 39 LYS CB . 52736 1 183 . 1 . 1 39 39 LYS N N 15 121.820 . . 1 . . . . . 39 LYS N . 52736 1 184 . 1 . 1 40 40 GLU H H 1 8.568 . . 1 . . . . . 40 GLU HN . 52736 1 185 . 1 . 1 40 40 GLU C C 13 175.170 . . 1 . . . . . 40 GLU C . 52736 1 186 . 1 . 1 40 40 GLU CA C 13 61.182 . . 1 . . . . . 40 GLU CA . 52736 1 187 . 1 . 1 40 40 GLU CB C 13 29.858 . . 1 . . . . . 40 GLU CB . 52736 1 188 . 1 . 1 40 40 GLU N N 15 119.004 . . 1 . . . . . 40 GLU N . 52736 1 189 . 1 . 1 41 41 GLU H H 1 8.150 . . 1 . . . . . 41 GLU HN . 52736 1 190 . 1 . 1 41 41 GLU C C 13 173.945 . . 1 . . . . . 41 GLU C . 52736 1 191 . 1 . 1 41 41 GLU CA C 13 59.811 . . 1 . . . . . 41 GLU CA . 52736 1 192 . 1 . 1 41 41 GLU CB C 13 30.344 . . 1 . . . . . 41 GLU CB . 52736 1 193 . 1 . 1 41 41 GLU N N 15 120.536 . . 1 . . . . . 41 GLU N . 52736 1 194 . 1 . 1 42 42 ALA H H 1 8.052 . . 1 . . . . . 42 ALA HN . 52736 1 195 . 1 . 1 42 42 ALA C C 13 174.233 . . 1 . . . . . 42 ALA C . 52736 1 196 . 1 . 1 42 42 ALA CA C 13 56.751 . . 1 . . . . . 42 ALA CA . 52736 1 197 . 1 . 1 42 42 ALA CB C 13 18.927 . . 1 . . . . . 42 ALA CB . 52736 1 198 . 1 . 1 42 42 ALA N N 15 120.610 . . 1 . . . . . 42 ALA N . 52736 1 199 . 1 . 1 43 43 GLU H H 1 8.524 . . 1 . . . . . 43 GLU HN . 52736 1 200 . 1 . 1 43 43 GLU C C 13 174.685 . . 1 . . . . . 43 GLU C . 52736 1 201 . 1 . 1 43 43 GLU CA C 13 61.065 . . 1 . . . . . 43 GLU CA . 52736 1 202 . 1 . 1 43 43 GLU CB C 13 30.447 . . 1 . . . . . 43 GLU CB . 52736 1 203 . 1 . 1 43 43 GLU N N 15 116.897 . . 1 . . . . . 43 GLU N . 52736 1 204 . 1 . 1 44 44 ARG H H 1 7.493 . . 1 . . . . . 44 ARG HN . 52736 1 205 . 1 . 1 44 44 ARG C C 13 175.285 . . 1 . . . . . 44 ARG C . 52736 1 206 . 1 . 1 44 44 ARG CA C 13 60.758 . . 1 . . . . . 44 ARG CA . 52736 1 207 . 1 . 1 44 44 ARG CB C 13 31.243 . . 1 . . . . . 44 ARG CB . 52736 1 208 . 1 . 1 44 44 ARG N N 15 118.602 . . 1 . . . . . 44 ARG N . 52736 1 209 . 1 . 1 45 45 LYS H H 1 8.109 . . 1 . . . . . 45 LYS HN . 52736 1 210 . 1 . 1 45 45 LYS C C 13 174.600 . . 1 . . . . . 45 LYS C . 52736 1 211 . 1 . 1 45 45 LYS CA C 13 59.306 . . 1 . . . . . 45 LYS CA . 52736 1 212 . 1 . 1 45 45 LYS CB C 13 31.953 . . 1 . . . . . 45 LYS CB . 52736 1 213 . 1 . 1 45 45 LYS N N 15 120.195 . . 1 . . . . . 45 LYS N . 52736 1 214 . 1 . 1 46 46 PHE H H 1 9.340 . . 1 . . . . . 46 PHE HN . 52736 1 215 . 1 . 1 46 46 PHE C C 13 173.419 . . 1 . . . . . 46 PHE C . 52736 1 216 . 1 . 1 46 46 PHE CA C 13 63.088 . . 1 . . . . . 46 PHE CA . 52736 1 217 . 1 . 1 46 46 PHE CB C 13 40.262 . . 1 . . . . . 46 PHE CB . 52736 1 218 . 1 . 1 46 46 PHE N N 15 120.707 . . 1 . . . . . 46 PHE N . 52736 1 219 . 1 . 1 47 47 LYS H H 1 8.070 . . 1 . . . . . 47 LYS HN . 52736 1 220 . 1 . 1 47 47 LYS C C 13 174.877 . . 1 . . . . . 47 LYS C . 52736 1 221 . 1 . 1 47 47 LYS CA C 13 60.743 . . 1 . . . . . 47 LYS CA . 52736 1 222 . 1 . 1 47 47 LYS CB C 13 33.336 . . 1 . . . . . 47 LYS CB . 52736 1 223 . 1 . 1 47 47 LYS N N 15 118.220 . . 1 . . . . . 47 LYS N . 52736 1 224 . 1 . 1 48 48 GLN H H 1 7.528 . . 1 . . . . . 48 GLN HN . 52736 1 225 . 1 . 1 48 48 GLN C C 13 174.332 . . 1 . . . . . 48 GLN C . 52736 1 226 . 1 . 1 48 48 GLN CA C 13 60.079 . . 1 . . . . . 48 GLN CA . 52736 1 227 . 1 . 1 48 48 GLN CB C 13 29.931 . . 1 . . . . . 48 GLN CB . 52736 1 228 . 1 . 1 48 48 GLN N N 15 118.989 . . 1 . . . . . 48 GLN N . 52736 1 229 . 1 . 1 49 49 VAL H H 1 8.031 . . 1 . . . . . 49 VAL HN . 52736 1 230 . 1 . 1 49 49 VAL C C 13 172.645 . . 1 . . . . . 49 VAL C . 52736 1 231 . 1 . 1 49 49 VAL CA C 13 67.234 . . 1 . . . . . 49 VAL CA . 52736 1 232 . 1 . 1 49 49 VAL CB C 13 32.767 . . 1 . . . . . 49 VAL CB . 52736 1 233 . 1 . 1 49 49 VAL N N 15 120.463 . . 1 . . . . . 49 VAL N . 52736 1 234 . 1 . 1 50 50 ALA H H 1 8.081 . . 1 . . . . . 50 ALA HN . 52736 1 235 . 1 . 1 50 50 ALA C C 13 175.624 . . 1 . . . . . 50 ALA C . 52736 1 236 . 1 . 1 50 50 ALA CA C 13 56.542 . . 1 . . . . . 50 ALA CA . 52736 1 237 . 1 . 1 50 50 ALA CB C 13 18.834 . . 1 . . . . . 50 ALA CB . 52736 1 238 . 1 . 1 50 50 ALA N N 15 121.921 . . 1 . . . . . 50 ALA N . 52736 1 239 . 1 . 1 51 51 GLU H H 1 7.840 . . 1 . . . . . 51 GLU HN . 52736 1 240 . 1 . 1 51 51 GLU C C 13 173.087 . . 1 . . . . . 51 GLU C . 52736 1 241 . 1 . 1 51 51 GLU CA C 13 60.092 . . 1 . . . . . 51 GLU CA . 52736 1 242 . 1 . 1 51 51 GLU CB C 13 30.694 . . 1 . . . . . 51 GLU CB . 52736 1 243 . 1 . 1 51 51 GLU N N 15 119.641 . . 1 . . . . . 51 GLU N . 52736 1 244 . 1 . 1 52 52 ALA H H 1 7.591 . . 1 . . . . . 52 ALA HN . 52736 1 245 . 1 . 1 52 52 ALA C C 13 174.432 . . 1 . . . . . 52 ALA C . 52736 1 246 . 1 . 1 52 52 ALA CA C 13 55.048 . . 1 . . . . . 52 ALA CA . 52736 1 247 . 1 . 1 52 52 ALA CB C 13 19.782 . . 1 . . . . . 52 ALA CB . 52736 1 248 . 1 . 1 52 52 ALA N N 15 119.060 . . 1 . . . . . 52 ALA N . 52736 1 249 . 1 . 1 53 53 TYR H H 1 8.226 . . 1 . . . . . 53 TYR HN . 52736 1 250 . 1 . 1 53 53 TYR C C 13 173.113 . . 1 . . . . . 53 TYR C . 52736 1 251 . 1 . 1 53 53 TYR CA C 13 62.188 . . 1 . . . . . 53 TYR CA . 52736 1 252 . 1 . 1 53 53 TYR CB C 13 40.468 . . 1 . . . . . 53 TYR CB . 52736 1 253 . 1 . 1 53 53 TYR N N 15 116.284 . . 1 . . . . . 53 TYR N . 52736 1 254 . 1 . 1 54 54 GLU H H 1 8.109 . . 1 . . . . . 54 GLU HN . 52736 1 255 . 1 . 1 54 54 GLU C C 13 172.889 . . 1 . . . . . 54 GLU C . 52736 1 256 . 1 . 1 54 54 GLU CA C 13 60.410 . . 1 . . . . . 54 GLU CA . 52736 1 257 . 1 . 1 54 54 GLU CB C 13 29.830 . . 1 . . . . . 54 GLU CB . 52736 1 258 . 1 . 1 54 54 GLU N N 15 121.888 . . 1 . . . . . 54 GLU N . 52736 1 259 . 1 . 1 55 55 VAL H H 1 6.619 . . 1 . . . . . 55 VAL HN . 52736 1 260 . 1 . 1 55 55 VAL C C 13 171.532 . . 1 . . . . . 55 VAL C . 52736 1 261 . 1 . 1 55 55 VAL CA C 13 66.655 . . 1 . . . . . 55 VAL CA . 52736 1 262 . 1 . 1 55 55 VAL CB C 13 32.761 . . 1 . . . . . 55 VAL CB . 52736 1 263 . 1 . 1 55 55 VAL N N 15 114.969 . . 1 . . . . . 55 VAL N . 52736 1 264 . 1 . 1 56 56 LEU H H 1 7.634 . . 1 . . . . . 56 LEU HN . 52736 1 265 . 1 . 1 56 56 LEU C C 13 172.910 . . 1 . . . . . 56 LEU C . 52736 1 266 . 1 . 1 56 56 LEU CA C 13 57.614 . . 1 . . . . . 56 LEU CA . 52736 1 267 . 1 . 1 56 56 LEU CB C 13 42.667 . . 1 . . . . . 56 LEU CB . 52736 1 268 . 1 . 1 56 56 LEU N N 15 111.002 . . 1 . . . . . 56 LEU N . 52736 1 269 . 1 . 1 57 57 SER H H 1 7.762 . . 1 . . . . . 57 SER HN . 52736 1 270 . 1 . 1 57 57 SER C C 13 169.059 . . 1 . . . . . 57 SER C . 52736 1 271 . 1 . 1 57 57 SER CA C 13 59.956 . . 1 . . . . . 57 SER CA . 52736 1 272 . 1 . 1 57 57 SER CB C 13 64.475 . . 1 . . . . . 57 SER CB . 52736 1 273 . 1 . 1 57 57 SER N N 15 109.129 . . 1 . . . . . 57 SER N . 52736 1 274 . 1 . 1 58 58 ASP H H 1 6.895 . . 1 . . . . . 58 ASP HN . 52736 1 275 . 1 . 1 58 58 ASP C C 13 170.401 . . 1 . . . . . 58 ASP C . 52736 1 276 . 1 . 1 58 58 ASP CA C 13 53.446 . . 1 . . . . . 58 ASP CA . 52736 1 277 . 1 . 1 58 58 ASP CB C 13 44.273 . . 1 . . . . . 58 ASP CB . 52736 1 278 . 1 . 1 58 58 ASP N N 15 125.174 . . 1 . . . . . 58 ASP N . 52736 1 279 . 1 . 1 59 59 ALA H H 1 8.744 . . 1 . . . . . 59 ALA HN . 52736 1 280 . 1 . 1 59 59 ALA C C 13 175.749 . . 1 . . . . . 59 ALA C . 52736 1 281 . 1 . 1 59 59 ALA CA C 13 56.856 . . 1 . . . . . 59 ALA CA . 52736 1 282 . 1 . 1 59 59 ALA CB C 13 19.621 . . 1 . . . . . 59 ALA CB . 52736 1 283 . 1 . 1 59 59 ALA N N 15 127.680 . . 1 . . . . . 59 ALA N . 52736 1 284 . 1 . 1 60 60 LYS H H 1 7.898 . . 1 . . . . . 60 LYS HN . 52736 1 285 . 1 . 1 60 60 LYS C C 13 175.294 . . 1 . . . . . 60 LYS C . 52736 1 286 . 1 . 1 60 60 LYS CA C 13 60.028 . . 1 . . . . . 60 LYS CA . 52736 1 287 . 1 . 1 60 60 LYS CB C 13 33.090 . . 1 . . . . . 60 LYS CB . 52736 1 288 . 1 . 1 60 60 LYS N N 15 116.225 . . 1 . . . . . 60 LYS N . 52736 1 289 . 1 . 1 61 61 LYS H H 1 8.118 . . 1 . . . . . 61 LYS HN . 52736 1 290 . 1 . 1 61 61 LYS C C 13 174.272 . . 1 . . . . . 61 LYS C . 52736 1 291 . 1 . 1 61 61 LYS CA C 13 61.104 . . 1 . . . . . 61 LYS CA . 52736 1 292 . 1 . 1 61 61 LYS CB C 13 34.004 . . 1 . . . . . 61 LYS CB . 52736 1 293 . 1 . 1 61 61 LYS N N 15 120.454 . . 1 . . . . . 61 LYS N . 52736 1 294 . 1 . 1 62 62 ARG H H 1 9.283 . . 1 . . . . . 62 ARG HN . 52736 1 295 . 1 . 1 62 62 ARG C C 13 172.993 . . 1 . . . . . 62 ARG C . 52736 1 296 . 1 . 1 62 62 ARG CA C 13 61.432 . . 1 . . . . . 62 ARG CA . 52736 1 297 . 1 . 1 62 62 ARG CB C 13 30.756 . . 1 . . . . . 62 ARG CB . 52736 1 298 . 1 . 1 62 62 ARG N N 15 121.612 . . 1 . . . . . 62 ARG N . 52736 1 299 . 1 . 1 63 63 ASP H H 1 7.463 . . 1 . . . . . 63 ASP HN . 52736 1 300 . 1 . 1 63 63 ASP C C 13 174.258 . . 1 . . . . . 63 ASP C . 52736 1 301 . 1 . 1 63 63 ASP CA C 13 58.785 . . 1 . . . . . 63 ASP CA . 52736 1 302 . 1 . 1 63 63 ASP CB C 13 42.514 . . 1 . . . . . 63 ASP CB . 52736 1 303 . 1 . 1 63 63 ASP N N 15 117.137 . . 1 . . . . . 63 ASP N . 52736 1 304 . 1 . 1 64 64 ILE H H 1 7.441 . . 1 . . . . . 64 ILE HN . 52736 1 305 . 1 . 1 64 64 ILE C C 13 173.715 . . 1 . . . . . 64 ILE C . 52736 1 306 . 1 . 1 64 64 ILE CA C 13 65.673 . . 1 . . . . . 64 ILE CA . 52736 1 307 . 1 . 1 64 64 ILE CB C 13 38.927 . . 1 . . . . . 64 ILE CB . 52736 1 308 . 1 . 1 64 64 ILE N N 15 118.368 . . 1 . . . . . 64 ILE N . 52736 1 309 . 1 . 1 65 65 TYR H H 1 8.913 . . 1 . . . . . 65 TYR HN . 52736 1 310 . 1 . 1 65 65 TYR C C 13 174.457 . . 1 . . . . . 65 TYR C . 52736 1 311 . 1 . 1 65 65 TYR CA C 13 62.605 . . 1 . . . . . 65 TYR CA . 52736 1 312 . 1 . 1 65 65 TYR CB C 13 39.929 . . 1 . . . . . 65 TYR CB . 52736 1 313 . 1 . 1 65 65 TYR N N 15 122.431 . . 1 . . . . . 65 TYR N . 52736 1 314 . 1 . 1 66 66 ASP H H 1 9.271 . . 1 . . . . . 66 ASP HN . 52736 1 315 . 1 . 1 66 66 ASP C C 13 173.791 . . 1 . . . . . 66 ASP C . 52736 1 316 . 1 . 1 66 66 ASP CA C 13 57.939 . . 1 . . . . . 66 ASP CA . 52736 1 317 . 1 . 1 66 66 ASP CB C 13 41.184 . . 1 . . . . . 66 ASP CB . 52736 1 318 . 1 . 1 66 66 ASP N N 15 120.943 . . 1 . . . . . 66 ASP N . 52736 1 319 . 1 . 1 67 67 LYS H H 1 7.430 . . 1 . . . . . 67 LYS HN . 52736 1 320 . 1 . 1 67 67 LYS C C 13 173.672 . . 1 . . . . . 67 LYS C . 52736 1 321 . 1 . 1 67 67 LYS CA C 13 59.423 . . 1 . . . . . 67 LYS CA . 52736 1 322 . 1 . 1 67 67 LYS CB C 13 34.871 . . 1 . . . . . 67 LYS CB . 52736 1 323 . 1 . 1 67 67 LYS N N 15 117.848 . . 1 . . . . . 67 LYS N . 52736 1 324 . 1 . 1 68 68 TYR H H 1 8.510 . . 1 . . . . . 68 TYR HN . 52736 1 325 . 1 . 1 68 68 TYR C C 13 172.573 . . 1 . . . . . 68 TYR C . 52736 1 326 . 1 . 1 68 68 TYR CA C 13 58.995 . . 1 . . . . . 68 TYR CA . 52736 1 327 . 1 . 1 68 68 TYR CB C 13 41.216 . . 1 . . . . . 68 TYR CB . 52736 1 328 . 1 . 1 68 68 TYR N N 15 116.207 . . 1 . . . . . 68 TYR N . 52736 1 329 . 1 . 1 69 69 GLY H H 1 8.237 . . 1 . . . . . 69 GLY HN . 52736 1 330 . 1 . 1 69 69 GLY C C 13 169.843 . . 1 . . . . . 69 GLY C . 52736 1 331 . 1 . 1 69 69 GLY CA C 13 46.139 . . 1 . . . . . 69 GLY CA . 52736 1 332 . 1 . 1 69 69 GLY N N 15 109.934 . . 1 . . . . . 69 GLY N . 52736 1 333 . 1 . 1 70 70 LYS H H 1 8.454 . . 1 . . . . . 70 LYS HN . 52736 1 334 . 1 . 1 70 70 LYS C C 13 173.897 . . 1 . . . . . 70 LYS C . 52736 1 335 . 1 . 1 70 70 LYS CA C 13 59.427 . . 1 . . . . . 70 LYS CA . 52736 1 336 . 1 . 1 70 70 LYS CB C 13 33.828 . . 1 . . . . . 70 LYS CB . 52736 1 337 . 1 . 1 70 70 LYS N N 15 120.079 . . 1 . . . . . 70 LYS N . 52736 1 338 . 1 . 1 71 71 GLU H H 1 8.812 . . 1 . . . . . 71 GLU HN . 52736 1 339 . 1 . 1 71 71 GLU C C 13 173.300 . . 1 . . . . . 71 GLU C . 52736 1 340 . 1 . 1 71 71 GLU CA C 13 59.311 . . 1 . . . . . 71 GLU CA . 52736 1 341 . 1 . 1 71 71 GLU CB C 13 30.312 . . 1 . . . . . 71 GLU CB . 52736 1 342 . 1 . 1 71 71 GLU N N 15 118.967 . . 1 . . . . . 71 GLU N . 52736 1 343 . 1 . 1 72 72 GLY C C 13 169.346 . . 1 . . . . . 72 GLY C . 52736 1 344 . 1 . 1 72 72 GLY CA C 13 46.458 . . 1 . . . . . 72 GLY CA . 52736 1 345 . 1 . 1 73 73 LEU H H 1 7.641 . . 1 . . . . . 73 LEU HN . 52736 1 346 . 1 . 1 73 73 LEU C C 13 171.607 . . 1 . . . . . 73 LEU C . 52736 1 347 . 1 . 1 73 73 LEU CA C 13 55.897 . . 1 . . . . . 73 LEU CA . 52736 1 348 . 1 . 1 73 73 LEU CB C 13 43.199 . . 1 . . . . . 73 LEU CB . 52736 1 349 . 1 . 1 73 73 LEU N N 15 120.295 . . 1 . . . . . 73 LEU N . 52736 1 350 . 1 . 1 74 74 ASN H H 1 7.699 . . 1 . . . . . 74 ASN HN . 52736 1 351 . 1 . 1 74 74 ASN C C 13 174.925 . . 1 . . . . . 74 ASN C . 52736 1 352 . 1 . 1 74 74 ASN CA C 13 55.969 . . 1 . . . . . 74 ASN CA . 52736 1 353 . 1 . 1 74 74 ASN CB C 13 42.145 . . 1 . . . . . 74 ASN CB . 52736 1 354 . 1 . 1 74 74 ASN N N 15 123.832 . . 1 . . . . . 74 ASN N . 52736 1 355 . 1 . 1 83 83 PHE C C 13 170.870 . . 1 . . . . . 83 PHE C . 52736 1 356 . 1 . 1 83 83 PHE CA C 13 58.580 . . 1 . . . . . 83 PHE CA . 52736 1 357 . 1 . 1 83 83 PHE CB C 13 40.510 . . 1 . . . . . 83 PHE CB . 52736 1 358 . 1 . 1 84 84 ASP H H 1 8.249 . . 1 . . . . . 84 ASP HN . 52736 1 359 . 1 . 1 84 84 ASP C C 13 171.289 . . 1 . . . . . 84 ASP C . 52736 1 360 . 1 . 1 84 84 ASP CA C 13 55.270 . . 1 . . . . . 84 ASP CA . 52736 1 361 . 1 . 1 84 84 ASP CB C 13 42.253 . . 1 . . . . . 84 ASP CB . 52736 1 362 . 1 . 1 84 84 ASP N N 15 121.487 . . 1 . . . . . 84 ASP N . 52736 1 363 . 1 . 1 85 85 SER H H 1 8.016 . . 1 . . . . . 85 SER HN . 52736 1 364 . 1 . 1 85 85 SER C C 13 168.829 . . 1 . . . . . 85 SER C . 52736 1 365 . 1 . 1 85 85 SER CA C 13 57.089 . . 1 . . . . . 85 SER CA . 52736 1 366 . 1 . 1 85 85 SER CB C 13 64.753 . . 1 . . . . . 85 SER CB . 52736 1 367 . 1 . 1 85 85 SER N N 15 116.298 . . 1 . . . . . 85 SER N . 52736 1 368 . 1 . 1 86 86 PRO C C 13 172.275 . . 1 . . . . . 86 PRO C . 52736 1 369 . 1 . 1 86 86 PRO CA C 13 64.397 . . 1 . . . . . 86 PRO CA . 52736 1 370 . 1 . 1 86 86 PRO CB C 13 32.691 . . 1 . . . . . 86 PRO CB . 52736 1 371 . 1 . 1 87 87 PHE H H 1 7.936 . . 1 . . . . . 87 PHE HN . 52736 1 372 . 1 . 1 87 87 PHE C C 13 171.307 . . 1 . . . . . 87 PHE C . 52736 1 373 . 1 . 1 87 87 PHE CA C 13 58.582 . . 1 . . . . . 87 PHE CA . 52736 1 374 . 1 . 1 87 87 PHE CB C 13 40.399 . . 1 . . . . . 87 PHE CB . 52736 1 375 . 1 . 1 87 87 PHE N N 15 119.141 . . 1 . . . . . 87 PHE N . 52736 1 376 . 1 . 1 88 88 GLU H H 1 8.002 . . 1 . . . . . 88 GLU HN . 52736 1 377 . 1 . 1 88 88 GLU C C 13 171.568 . . 1 . . . . . 88 GLU C . 52736 1 378 . 1 . 1 88 88 GLU CA C 13 57.451 . . 1 . . . . . 88 GLU CA . 52736 1 379 . 1 . 1 88 88 GLU CB C 13 31.306 . . 1 . . . . . 88 GLU CB . 52736 1 380 . 1 . 1 88 88 GLU N N 15 121.844 . . 1 . . . . . 88 GLU N . 52736 1 381 . 1 . 1 89 89 PHE H H 1 8.032 . . 1 . . . . . 89 PHE HN . 52736 1 382 . 1 . 1 89 89 PHE C C 13 171.923 . . 1 . . . . . 89 PHE C . 52736 1 383 . 1 . 1 89 89 PHE CA C 13 59.078 . . 1 . . . . . 89 PHE CA . 52736 1 384 . 1 . 1 89 89 PHE CB C 13 40.346 . . 1 . . . . . 89 PHE CB . 52736 1 385 . 1 . 1 89 89 PHE N N 15 120.375 . . 1 . . . . . 89 PHE N . 52736 1 386 . 1 . 1 90 90 GLY H H 1 8.171 . . 1 . . . . . 90 GLY HN . 52736 1 387 . 1 . 1 90 90 GLY C C 13 169.519 . . 1 . . . . . 90 GLY C . 52736 1 388 . 1 . 1 90 90 GLY CA C 13 46.328 . . 1 . . . . . 90 GLY CA . 52736 1 389 . 1 . 1 90 90 GLY N N 15 109.795 . . 1 . . . . . 90 GLY N . 52736 1 390 . 1 . 1 91 91 PHE H H 1 7.922 . . 1 . . . . . 91 PHE HN . 52736 1 391 . 1 . 1 91 91 PHE C C 13 171.469 . . 1 . . . . . 91 PHE C . 52736 1 392 . 1 . 1 91 91 PHE CA C 13 58.900 . . 1 . . . . . 91 PHE CA . 52736 1 393 . 1 . 1 91 91 PHE CB C 13 40.539 . . 1 . . . . . 91 PHE CB . 52736 1 394 . 1 . 1 91 91 PHE N N 15 119.789 . . 1 . . . . . 91 PHE N . 52736 1 395 . 1 . 1 92 92 THR H H 1 7.895 . . 1 . . . . . 92 THR HN . 52736 1 396 . 1 . 1 92 92 THR C C 13 169.422 . . 1 . . . . . 92 THR C . 52736 1 397 . 1 . 1 92 92 THR CA C 13 62.784 . . 1 . . . . . 92 THR CA . 52736 1 398 . 1 . 1 92 92 THR CB C 13 70.777 . . 1 . . . . . 92 THR CB . 52736 1 399 . 1 . 1 92 92 THR N N 15 115.448 . . 1 . . . . . 92 THR N . 52736 1 400 . 1 . 1 93 93 PHE H H 1 8.036 . . 1 . . . . . 93 PHE HN . 52736 1 401 . 1 . 1 93 93 PHE C C 13 170.845 . . 1 . . . . . 93 PHE C . 52736 1 402 . 1 . 1 93 93 PHE CA C 13 58.771 . . 1 . . . . . 93 PHE CA . 52736 1 403 . 1 . 1 93 93 PHE CB C 13 40.450 . . 1 . . . . . 93 PHE CB . 52736 1 404 . 1 . 1 93 93 PHE N N 15 122.358 . . 1 . . . . . 93 PHE N . 52736 1 405 . 1 . 1 94 94 ARG H H 1 7.991 . . 1 . . . . . 94 ARG HN . 52736 1 406 . 1 . 1 94 94 ARG C C 13 170.814 . . 1 . . . . . 94 ARG C . 52736 1 407 . 1 . 1 94 94 ARG CA C 13 56.591 . . 1 . . . . . 94 ARG CA . 52736 1 408 . 1 . 1 94 94 ARG CB C 13 32.120 . . 1 . . . . . 94 ARG CB . 52736 1 409 . 1 . 1 94 94 ARG N N 15 122.389 . . 1 . . . . . 94 ARG N . 52736 1 410 . 1 . 1 95 95 ASN H H 1 8.305 . . 1 . . . . . 95 ASN HN . 52736 1 411 . 1 . 1 95 95 ASN C C 13 167.919 . . 1 . . . . . 95 ASN C . 52736 1 412 . 1 . 1 95 95 ASN CA C 13 52.506 . . 1 . . . . . 95 ASN CA . 52736 1 413 . 1 . 1 95 95 ASN CB C 13 39.533 . . 1 . . . . . 95 ASN CB . 52736 1 414 . 1 . 1 95 95 ASN N N 15 121.508 . . 1 . . . . . 95 ASN N . 52736 1 stop_ save_