data_50776 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50776 _Entry.Title ; Substrate sequence determinants governing the specificity of ClpS1 in plant chloroplasts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-18 _Entry.Accession_date 2021-02-18 _Entry.Last_release_date 2021-02-19 _Entry.Original_release_date 2021-02-19 _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 1 _Entry.Generated_software_label $software_1 _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 Dianela 'Aguilar Lucero' . . . . 50776 2 Alejo Cantoia . . . . 50776 3 Carolina Sanchez-Lopez . . . . 50776 4 Andres Binolfi . . . 0000-0003-2374-0864 50776 5 Axel Mogk . . . . 50776 6 Eduardo Ceccarelli . A. . . 50776 7 German Rosano . L. . . 50776 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Cellular-Structural Biology Lab' . 50776 2 . 'Protein Structure Folding and Function Lab' . 50776 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50776 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 50776 '15N chemical shifts' 105 50776 '1H chemical shifts' 105 50776 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 . . 2021-06-14 . original BMRB . 50776 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50776 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33792910 _Citation.DOI 10.1002/1873-3468.14081 _Citation.Full_citation . _Citation.Title ; Structural features of the plant N-recognin ClpS1 and sequence determinants in its targets that govern substrate selection ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 595 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 1525 _Citation.Page_last 1541 _Citation.Year 2021 _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 Dianela 'Aguilar Lucero' . . . . 50776 1 2 Alejo Cantoia . . . . 50776 1 3 Carolina Sanchez-Lopez . . . . 50776 1 4 Andres Binolfi . . . . 50776 1 5 Axel Mogk . . . . 50776 1 6 Eduardo Ceccarelli . A. . . 50776 1 7 German Rosano . L. . . 50776 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Arabidopsis thaliana' 50776 1 ClpS1 50776 1 'N-end rule' 50776 1 N-recognin 50776 1 chloroplast 50776 1 proteolysis 50776 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50776 _Assembly.ID 1 _Assembly.Name ClpS1 _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 ClpS1 1 $entity_1 . . yes native no no . . . 50776 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50776 _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 ; AAALGKGGGVLDKPIIEKTT PGRESEFDLRKSKKIAPPYR VILHNDNFNKREYVVQVLMK VIPGMTVDNAVNIMQEAHIN GLAVVIVCAQADAEQHCMQL RGNGLLSSVEPDGGGCAEFL VPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details "First Ala residue comes from the cloning procedure and does not belong to the protein's original sequence." _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _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_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 . ALA . 50776 1 2 . ALA . 50776 1 3 . ALA . 50776 1 4 . LEU . 50776 1 5 . GLY . 50776 1 6 . LYS . 50776 1 7 . GLY . 50776 1 8 . GLY . 50776 1 9 . GLY . 50776 1 10 . VAL . 50776 1 11 . LEU . 50776 1 12 . ASP . 50776 1 13 . LYS . 50776 1 14 . PRO . 50776 1 15 . ILE . 50776 1 16 . ILE . 50776 1 17 . GLU . 50776 1 18 . LYS . 50776 1 19 . THR . 50776 1 20 . THR . 50776 1 21 . PRO . 50776 1 22 . GLY . 50776 1 23 . ARG . 50776 1 24 . GLU . 50776 1 25 . SER . 50776 1 26 . GLU . 50776 1 27 . PHE . 50776 1 28 . ASP . 50776 1 29 . LEU . 50776 1 30 . ARG . 50776 1 31 . LYS . 50776 1 32 . SER . 50776 1 33 . LYS . 50776 1 34 . LYS . 50776 1 35 . ILE . 50776 1 36 . ALA . 50776 1 37 . PRO . 50776 1 38 . PRO . 50776 1 39 . TYR . 50776 1 40 . ARG . 50776 1 41 . VAL . 50776 1 42 . ILE . 50776 1 43 . LEU . 50776 1 44 . HIS . 50776 1 45 . ASN . 50776 1 46 . ASP . 50776 1 47 . ASN . 50776 1 48 . PHE . 50776 1 49 . ASN . 50776 1 50 . LYS . 50776 1 51 . ARG . 50776 1 52 . GLU . 50776 1 53 . TYR . 50776 1 54 . VAL . 50776 1 55 . VAL . 50776 1 56 . GLN . 50776 1 57 . VAL . 50776 1 58 . LEU . 50776 1 59 . MET . 50776 1 60 . LYS . 50776 1 61 . VAL . 50776 1 62 . ILE . 50776 1 63 . PRO . 50776 1 64 . GLY . 50776 1 65 . MET . 50776 1 66 . THR . 50776 1 67 . VAL . 50776 1 68 . ASP . 50776 1 69 . ASN . 50776 1 70 . ALA . 50776 1 71 . VAL . 50776 1 72 . ASN . 50776 1 73 . ILE . 50776 1 74 . MET . 50776 1 75 . GLN . 50776 1 76 . GLU . 50776 1 77 . ALA . 50776 1 78 . HIS . 50776 1 79 . ILE . 50776 1 80 . ASN . 50776 1 81 . GLY . 50776 1 82 . LEU . 50776 1 83 . ALA . 50776 1 84 . VAL . 50776 1 85 . VAL . 50776 1 86 . ILE . 50776 1 87 . VAL . 50776 1 88 . CYS . 50776 1 89 . ALA . 50776 1 90 . GLN . 50776 1 91 . ALA . 50776 1 92 . ASP . 50776 1 93 . ALA . 50776 1 94 . GLU . 50776 1 95 . GLN . 50776 1 96 . HIS . 50776 1 97 . CYS . 50776 1 98 . MET . 50776 1 99 . GLN . 50776 1 100 . LEU . 50776 1 101 . ARG . 50776 1 102 . GLY . 50776 1 103 . ASN . 50776 1 104 . GLY . 50776 1 105 . LEU . 50776 1 106 . LEU . 50776 1 107 . SER . 50776 1 108 . SER . 50776 1 109 . VAL . 50776 1 110 . GLU . 50776 1 111 . PRO . 50776 1 112 . ASP . 50776 1 113 . GLY . 50776 1 114 . GLY . 50776 1 115 . GLY . 50776 1 116 . CYS . 50776 1 117 . ALA . 50776 1 118 . GLU . 50776 1 119 . PHE . 50776 1 120 . LEU . 50776 1 121 . VAL . 50776 1 122 . PRO . 50776 1 123 . ARG . 50776 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 . ALA 1 1 50776 1 . ALA 2 2 50776 1 . ALA 3 3 50776 1 . LEU 4 4 50776 1 . GLY 5 5 50776 1 . LYS 6 6 50776 1 . GLY 7 7 50776 1 . GLY 8 8 50776 1 . GLY 9 9 50776 1 . VAL 10 10 50776 1 . LEU 11 11 50776 1 . ASP 12 12 50776 1 . LYS 13 13 50776 1 . PRO 14 14 50776 1 . ILE 15 15 50776 1 . ILE 16 16 50776 1 . GLU 17 17 50776 1 . LYS 18 18 50776 1 . THR 19 19 50776 1 . THR 20 20 50776 1 . PRO 21 21 50776 1 . GLY 22 22 50776 1 . ARG 23 23 50776 1 . GLU 24 24 50776 1 . SER 25 25 50776 1 . GLU 26 26 50776 1 . PHE 27 27 50776 1 . ASP 28 28 50776 1 . LEU 29 29 50776 1 . ARG 30 30 50776 1 . LYS 31 31 50776 1 . SER 32 32 50776 1 . LYS 33 33 50776 1 . LYS 34 34 50776 1 . ILE 35 35 50776 1 . ALA 36 36 50776 1 . PRO 37 37 50776 1 . PRO 38 38 50776 1 . TYR 39 39 50776 1 . ARG 40 40 50776 1 . VAL 41 41 50776 1 . ILE 42 42 50776 1 . LEU 43 43 50776 1 . HIS 44 44 50776 1 . ASN 45 45 50776 1 . ASP 46 46 50776 1 . ASN 47 47 50776 1 . PHE 48 48 50776 1 . ASN 49 49 50776 1 . LYS 50 50 50776 1 . ARG 51 51 50776 1 . GLU 52 52 50776 1 . TYR 53 53 50776 1 . VAL 54 54 50776 1 . VAL 55 55 50776 1 . GLN 56 56 50776 1 . VAL 57 57 50776 1 . LEU 58 58 50776 1 . MET 59 59 50776 1 . LYS 60 60 50776 1 . VAL 61 61 50776 1 . ILE 62 62 50776 1 . PRO 63 63 50776 1 . GLY 64 64 50776 1 . MET 65 65 50776 1 . THR 66 66 50776 1 . VAL 67 67 50776 1 . ASP 68 68 50776 1 . ASN 69 69 50776 1 . ALA 70 70 50776 1 . VAL 71 71 50776 1 . ASN 72 72 50776 1 . ILE 73 73 50776 1 . MET 74 74 50776 1 . GLN 75 75 50776 1 . GLU 76 76 50776 1 . ALA 77 77 50776 1 . HIS 78 78 50776 1 . ILE 79 79 50776 1 . ASN 80 80 50776 1 . GLY 81 81 50776 1 . LEU 82 82 50776 1 . ALA 83 83 50776 1 . VAL 84 84 50776 1 . VAL 85 85 50776 1 . ILE 86 86 50776 1 . VAL 87 87 50776 1 . CYS 88 88 50776 1 . ALA 89 89 50776 1 . GLN 90 90 50776 1 . ALA 91 91 50776 1 . ASP 92 92 50776 1 . ALA 93 93 50776 1 . GLU 94 94 50776 1 . GLN 95 95 50776 1 . HIS 96 96 50776 1 . CYS 97 97 50776 1 . MET 98 98 50776 1 . GLN 99 99 50776 1 . LEU 100 100 50776 1 . ARG 101 101 50776 1 . GLY 102 102 50776 1 . ASN 103 103 50776 1 . GLY 104 104 50776 1 . LEU 105 105 50776 1 . LEU 106 106 50776 1 . SER 107 107 50776 1 . SER 108 108 50776 1 . VAL 109 109 50776 1 . GLU 110 110 50776 1 . PRO 111 111 50776 1 . ASP 112 112 50776 1 . GLY 113 113 50776 1 . GLY 114 114 50776 1 . GLY 115 115 50776 1 . CYS 116 116 50776 1 . ALA 117 117 50776 1 . GLU 118 118 50776 1 . PHE 119 119 50776 1 . LEU 120 120 50776 1 . VAL 121 121 50776 1 . PRO 122 122 50776 1 . ARG 123 123 50776 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 50776 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 50776 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 50776 _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 . . pETGEXCT . . . 50776 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50776 _Sample.ID 1 _Sample.Name ClpS1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein was dissolved in 20 mM phosphate buffer at pH 7.0, 150 mM NaCl, 1 mM DTT and 10% v/v D2O' _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 ClpS1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 800 . . uM . . . . 50776 1 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 50776 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50776 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50776 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 50776 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _Sample_condition_list.Details '20 mM phosphate buffer at pH 7.0, 150 mM NaCl, 1 mM DTT and 10% v/v D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 50776 1 pH 7 . pH 50776 1 pressure 1 . atm 50776 1 temperature 298 . K 50776 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50776 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50776 1 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 50776 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz Bruker Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50776 _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 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50776 1 2 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50776 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50776 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50776 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 50776 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ClpS1_AT_Assignment _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 external indirect 0.251449530 . . . . . 50776 1 H 1 DSS 'methyl protons' . . . . ppm -0.19 external direct 1 . . . . . 50776 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 50776 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 50776 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ClpS1 assignment' _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 '3D HNCO' . . . 50776 1 2 '3D HN(CA)CO' . . . 50776 1 3 '3D CBCACONH' . . . 50776 1 4 '3D HNCACB' . . . 50776 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 . . 50776 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 ALA C C 13 177.29 . . . . . . . . 2 ALA C . 50776 1 2 . 1 . 1 2 2 ALA CA C 13 52.28 . . . . . . . . 2 ALA CA . 50776 1 3 . 1 . 1 2 2 ALA CB C 13 19.32 . . . . . . . . 2 ALA CB . 50776 1 4 . 1 . 1 3 3 ALA H H 1 8.33 . . . . . . . . 3 ALA H . 50776 1 5 . 1 . 1 3 3 ALA C C 13 177.59 . . . . . . . . 3 ALA C . 50776 1 6 . 1 . 1 3 3 ALA CA C 13 52.28 . . . . . . . . 3 ALA CA . 50776 1 7 . 1 . 1 3 3 ALA CB C 13 19.17 . . . . . . . . 3 ALA CB . 50776 1 8 . 1 . 1 3 3 ALA N N 15 124.09 . . . . . . . . 3 ALA N . 50776 1 9 . 1 . 1 4 4 LEU H H 1 8.21 . . . . . . . . 4 LEU H . 50776 1 10 . 1 . 1 4 4 LEU C C 13 178.07 . . . . . . . . 4 LEU C . 50776 1 11 . 1 . 1 4 4 LEU CA C 13 55.37 . . . . . . . . 4 LEU CA . 50776 1 12 . 1 . 1 4 4 LEU CB C 13 42.56 . . . . . . . . 4 LEU CB . 50776 1 13 . 1 . 1 4 4 LEU N N 15 121.8 . . . . . . . . 4 LEU N . 50776 1 14 . 1 . 1 5 5 GLY H H 1 8.35 . . . . . . . . 5 GLY H . 50776 1 15 . 1 . 1 5 5 GLY C C 13 174.31 . . . . . . . . 5 GLY C . 50776 1 16 . 1 . 1 5 5 GLY CA C 13 45.21 . . . . . . . . 5 GLY CA . 50776 1 17 . 1 . 1 5 5 GLY N N 15 109.58 . . . . . . . . 5 GLY N . 50776 1 18 . 1 . 1 6 6 LYS H H 1 8.13 . . . . . . . . 6 LYS H . 50776 1 19 . 1 . 1 6 6 LYS C C 13 176.66 . . . . . . . . 6 LYS C . 50776 1 20 . 1 . 1 6 6 LYS CA C 13 56.17 . . . . . . . . 6 LYS CA . 50776 1 21 . 1 . 1 6 6 LYS CB C 13 32.72 . . . . . . . . 6 LYS CB . 50776 1 22 . 1 . 1 6 6 LYS N N 15 120.55 . . . . . . . . 6 LYS N . 50776 1 23 . 1 . 1 7 7 GLY C C 13 174.61 . . . . . . . . 7 GLY C . 50776 1 24 . 1 . 1 7 7 GLY CA C 13 45.27 . . . . . . . . 7 GLY CA . 50776 1 25 . 1 . 1 8 8 GLY H H 1 8.19 . . . . . . . . 8 GLY H . 50776 1 26 . 1 . 1 8 8 GLY C C 13 174.79 . . . . . . . . 8 GLY C . 50776 1 27 . 1 . 1 8 8 GLY CA C 13 45.2 . . . . . . . . 8 GLY CA . 50776 1 28 . 1 . 1 8 8 GLY N N 15 108.51 . . . . . . . . 8 GLY N . 50776 1 29 . 1 . 1 9 9 GLY H H 1 8.26 . . . . . . . . 9 GLY H . 50776 1 30 . 1 . 1 9 9 GLY C C 13 174.19 . . . . . . . . 9 GLY C . 50776 1 31 . 1 . 1 9 9 GLY CA C 13 45.2 . . . . . . . . 9 GLY CA . 50776 1 32 . 1 . 1 9 9 GLY N N 15 108.58 . . . . . . . . 9 GLY N . 50776 1 33 . 1 . 1 10 10 VAL H H 1 7.96 . . . . . . . . 10 VAL H . 50776 1 34 . 1 . 1 10 10 VAL C C 13 176.39 . . . . . . . . 10 VAL C . 50776 1 35 . 1 . 1 10 10 VAL CA C 13 62.62 . . . . . . . . 10 VAL CA . 50776 1 36 . 1 . 1 10 10 VAL CB C 13 32.66 . . . . . . . . 10 VAL CB . 50776 1 37 . 1 . 1 10 10 VAL N N 15 119.23 . . . . . . . . 10 VAL N . 50776 1 38 . 1 . 1 11 11 LEU H H 1 8.26 . . . . . . . . 11 LEU H . 50776 1 39 . 1 . 1 11 11 LEU C C 13 177.01 . . . . . . . . 11 LEU C . 50776 1 40 . 1 . 1 11 11 LEU CA C 13 54.93 . . . . . . . . 11 LEU CA . 50776 1 41 . 1 . 1 11 11 LEU CB C 13 42.3 . . . . . . . . 11 LEU CB . 50776 1 42 . 1 . 1 11 11 LEU N N 15 125.13 . . . . . . . . 11 LEU N . 50776 1 43 . 1 . 1 12 12 ASP H H 1 8.13 . . . . . . . . 12 ASP H . 50776 1 44 . 1 . 1 12 12 ASP C C 13 175.67 . . . . . . . . 12 ASP C . 50776 1 45 . 1 . 1 12 12 ASP CA C 13 54.41 . . . . . . . . 12 ASP CA . 50776 1 46 . 1 . 1 12 12 ASP CB C 13 41.22 . . . . . . . . 12 ASP CB . 50776 1 47 . 1 . 1 12 12 ASP N N 15 121.29 . . . . . . . . 12 ASP N . 50776 1 48 . 1 . 1 13 13 LYS H H 1 7.95 . . . . . . . . 13 LYS H . 50776 1 49 . 1 . 1 13 13 LYS C C 13 174.19 . . . . . . . . 13 LYS C . 50776 1 50 . 1 . 1 13 13 LYS CA C 13 54.19 . . . . . . . . 13 LYS CA . 50776 1 51 . 1 . 1 13 13 LYS CB C 13 32.81 . . . . . . . . 13 LYS CB . 50776 1 52 . 1 . 1 13 13 LYS N N 15 121.96 . . . . . . . . 13 LYS N . 50776 1 53 . 1 . 1 14 14 PRO C C 13 176.75 . . . . . . . . 14 PRO C . 50776 1 54 . 1 . 1 14 14 PRO CA C 13 63.24 . . . . . . . . 14 PRO CA . 50776 1 55 . 1 . 1 14 14 PRO CB C 13 32.13 . . . . . . . . 14 PRO CB . 50776 1 56 . 1 . 1 15 15 ILE H H 1 8.19 . . . . . . . . 15 ILE H . 50776 1 57 . 1 . 1 15 15 ILE C C 13 176.32 . . . . . . . . 15 ILE C . 50776 1 58 . 1 . 1 15 15 ILE CA C 13 61.21 . . . . . . . . 15 ILE CA . 50776 1 59 . 1 . 1 15 15 ILE CB C 13 38.41 . . . . . . . . 15 ILE CB . 50776 1 60 . 1 . 1 15 15 ILE N N 15 121.47 . . . . . . . . 15 ILE N . 50776 1 61 . 1 . 1 16 16 ILE H H 1 8.12 . . . . . . . . 16 ILE H . 50776 1 62 . 1 . 1 16 16 ILE C C 13 176.01 . . . . . . . . 16 ILE C . 50776 1 63 . 1 . 1 16 16 ILE CA C 13 61.03 . . . . . . . . 16 ILE CA . 50776 1 64 . 1 . 1 16 16 ILE CB C 13 38.5 . . . . . . . . 16 ILE CB . 50776 1 65 . 1 . 1 16 16 ILE N N 15 125.51 . . . . . . . . 16 ILE N . 50776 1 66 . 1 . 1 17 17 GLU H H 1 8.42 . . . . . . . . 17 GLU H . 50776 1 67 . 1 . 1 17 17 GLU C C 13 176.22 . . . . . . . . 17 GLU C . 50776 1 68 . 1 . 1 17 17 GLU CA C 13 56.52 . . . . . . . . 17 GLU CA . 50776 1 69 . 1 . 1 17 17 GLU CB C 13 30.63 . . . . . . . . 17 GLU CB . 50776 1 70 . 1 . 1 17 17 GLU N N 15 125.97 . . . . . . . . 17 GLU N . 50776 1 71 . 1 . 1 18 18 LYS H H 1 8.35 . . . . . . . . 18 LYS H . 50776 1 72 . 1 . 1 18 18 LYS C C 13 176.64 . . . . . . . . 18 LYS C . 50776 1 73 . 1 . 1 18 18 LYS CA C 13 56.29 . . . . . . . . 18 LYS CA . 50776 1 74 . 1 . 1 18 18 LYS CB C 13 33.11 . . . . . . . . 18 LYS CB . 50776 1 75 . 1 . 1 18 18 LYS N N 15 123.05 . . . . . . . . 18 LYS N . 50776 1 76 . 1 . 1 19 19 THR H H 1 8.15 . . . . . . . . 19 THR H . 50776 1 77 . 1 . 1 19 19 THR C C 13 174.47 . . . . . . . . 19 THR C . 50776 1 78 . 1 . 1 19 19 THR CA C 13 61.79 . . . . . . . . 19 THR CA . 50776 1 79 . 1 . 1 19 19 THR CB C 13 70.01 . . . . . . . . 19 THR CB . 50776 1 80 . 1 . 1 19 19 THR N N 15 115.67 . . . . . . . . 19 THR N . 50776 1 81 . 1 . 1 20 20 THR H H 1 8.2 . . . . . . . . 20 THR H . 50776 1 82 . 1 . 1 20 20 THR C C 13 172.79 . . . . . . . . 20 THR C . 50776 1 83 . 1 . 1 20 20 THR CA C 13 59.88 . . . . . . . . 20 THR CA . 50776 1 84 . 1 . 1 20 20 THR CB C 13 70.22 . . . . . . . . 20 THR CB . 50776 1 85 . 1 . 1 20 20 THR N N 15 119.04 . . . . . . . . 20 THR N . 50776 1 86 . 1 . 1 21 21 PRO C C 13 177.37 . . . . . . . . 21 PRO C . 50776 1 87 . 1 . 1 21 21 PRO CA C 13 63.27 . . . . . . . . 21 PRO CA . 50776 1 88 . 1 . 1 21 21 PRO CB C 13 32.09 . . . . . . . . 21 PRO CB . 50776 1 89 . 1 . 1 22 22 GLY H H 1 8.49 . . . . . . . . 22 GLY H . 50776 1 90 . 1 . 1 22 22 GLY C C 13 174.95 . . . . . . . . 22 GLY C . 50776 1 91 . 1 . 1 22 22 GLY CA C 13 45.27 . . . . . . . . 22 GLY CA . 50776 1 92 . 1 . 1 22 22 GLY N N 15 109.77 . . . . . . . . 22 GLY N . 50776 1 93 . 1 . 1 23 23 ARG C C 13 176.66 . . . . . . . . 23 ARG C . 50776 1 94 . 1 . 1 23 23 ARG CA C 13 56.17 . . . . . . . . 23 ARG CA . 50776 1 95 . 1 . 1 23 23 ARG CB C 13 30.63 . . . . . . . . 23 ARG CB . 50776 1 96 . 1 . 1 24 24 GLU H H 1 8.66 . . . . . . . . 24 GLU H . 50776 1 97 . 1 . 1 24 24 GLU C C 13 176.89 . . . . . . . . 24 GLU C . 50776 1 98 . 1 . 1 24 24 GLU CA C 13 57.67 . . . . . . . . 24 GLU CA . 50776 1 99 . 1 . 1 24 24 GLU CB C 13 29.84 . . . . . . . . 24 GLU CB . 50776 1 100 . 1 . 1 24 24 GLU N N 15 121.97 . . . . . . . . 24 GLU N . 50776 1 101 . 1 . 1 25 25 SER H H 1 8.33 . . . . . . . . 25 SER H . 50776 1 102 . 1 . 1 25 25 SER C C 13 174.89 . . . . . . . . 25 SER C . 50776 1 103 . 1 . 1 25 25 SER CA C 13 58.7 . . . . . . . . 25 SER CA . 50776 1 104 . 1 . 1 25 25 SER CB C 13 64 . . . . . . . . 25 SER CB . 50776 1 105 . 1 . 1 25 25 SER N N 15 116.19 . . . . . . . . 25 SER N . 50776 1 106 . 1 . 1 26 26 GLU H H 1 8.35 . . . . . . . . 26 GLU H . 50776 1 107 . 1 . 1 26 26 GLU C C 13 176.73 . . . . . . . . 26 GLU C . 50776 1 108 . 1 . 1 26 26 GLU CA C 13 57.38 . . . . . . . . 26 GLU CA . 50776 1 109 . 1 . 1 26 26 GLU CB C 13 29.89 . . . . . . . . 26 GLU CB . 50776 1 110 . 1 . 1 26 26 GLU N N 15 122.48 . . . . . . . . 26 GLU N . 50776 1 111 . 1 . 1 27 27 PHE H H 1 7.99 . . . . . . . . 27 PHE H . 50776 1 112 . 1 . 1 27 27 PHE C C 13 175.88 . . . . . . . . 27 PHE C . 50776 1 113 . 1 . 1 27 27 PHE CA C 13 58.55 . . . . . . . . 27 PHE CA . 50776 1 114 . 1 . 1 27 27 PHE CB C 13 39.47 . . . . . . . . 27 PHE CB . 50776 1 115 . 1 . 1 27 27 PHE N N 15 119.73 . . . . . . . . 27 PHE N . 50776 1 116 . 1 . 1 28 28 ASP H H 1 8.01 . . . . . . . . 28 ASP H . 50776 1 117 . 1 . 1 28 28 ASP C C 13 176.89 . . . . . . . . 28 ASP C . 50776 1 118 . 1 . 1 28 28 ASP CA C 13 54.64 . . . . . . . . 28 ASP CA . 50776 1 119 . 1 . 1 28 28 ASP CB C 13 41.2 . . . . . . . . 28 ASP CB . 50776 1 120 . 1 . 1 28 28 ASP N N 15 121.4 . . . . . . . . 28 ASP N . 50776 1 121 . 1 . 1 29 29 LEU H H 1 8.13 . . . . . . . . 29 LEU H . 50776 1 122 . 1 . 1 29 29 LEU C C 13 178.28 . . . . . . . . 29 LEU C . 50776 1 123 . 1 . 1 29 29 LEU CA C 13 56.35 . . . . . . . . 29 LEU CA . 50776 1 124 . 1 . 1 29 29 LEU CB C 13 41.76 . . . . . . . . 29 LEU CB . 50776 1 125 . 1 . 1 29 29 LEU N N 15 123.17 . . . . . . . . 29 LEU N . 50776 1 126 . 1 . 1 30 30 ARG H H 1 8.09 . . . . . . . . 30 ARG H . 50776 1 127 . 1 . 1 30 30 ARG C C 13 177.17 . . . . . . . . 30 ARG C . 50776 1 128 . 1 . 1 30 30 ARG CA C 13 57.32 . . . . . . . . 30 ARG CA . 50776 1 129 . 1 . 1 30 30 ARG CB C 13 30.28 . . . . . . . . 30 ARG CB . 50776 1 130 . 1 . 1 30 30 ARG N N 15 119.36 . . . . . . . . 30 ARG N . 50776 1 131 . 1 . 1 31 31 LYS H H 1 7.91 . . . . . . . . 31 LYS H . 50776 1 132 . 1 . 1 31 31 LYS C C 13 176.94 . . . . . . . . 31 LYS C . 50776 1 133 . 1 . 1 31 31 LYS CA C 13 56.79 . . . . . . . . 31 LYS CA . 50776 1 134 . 1 . 1 31 31 LYS CB C 13 32.75 . . . . . . . . 31 LYS CB . 50776 1 135 . 1 . 1 31 31 LYS N N 15 120.13 . . . . . . . . 31 LYS N . 50776 1 136 . 1 . 1 32 32 SER H H 1 8.02 . . . . . . . . 32 SER H . 50776 1 137 . 1 . 1 32 32 SER C C 13 174.56 . . . . . . . . 32 SER C . 50776 1 138 . 1 . 1 32 32 SER CA C 13 58.61 . . . . . . . . 32 SER CA . 50776 1 139 . 1 . 1 32 32 SER CB C 13 63.92 . . . . . . . . 32 SER CB . 50776 1 140 . 1 . 1 32 32 SER N N 15 115.78 . . . . . . . . 32 SER N . 50776 1 141 . 1 . 1 33 33 LYS C C 13 176.38 . . . . . . . . 33 LYS C . 50776 1 142 . 1 . 1 33 33 LYS CA C 13 56.43 . . . . . . . . 33 LYS CA . 50776 1 143 . 1 . 1 33 33 LYS CB C 13 32.93 . . . . . . . . 33 LYS CB . 50776 1 144 . 1 . 1 34 34 LYS H H 1 8.18 . . . . . . . . 34 LYS H . 50776 1 145 . 1 . 1 34 34 LYS C C 13 176.33 . . . . . . . . 34 LYS C . 50776 1 146 . 1 . 1 34 34 LYS CA C 13 56.19 . . . . . . . . 34 LYS CA . 50776 1 147 . 1 . 1 34 34 LYS CB C 13 33.04 . . . . . . . . 34 LYS CB . 50776 1 148 . 1 . 1 34 34 LYS N N 15 122.44 . . . . . . . . 34 LYS N . 50776 1 149 . 1 . 1 35 35 ILE H H 1 8.07 . . . . . . . . 35 ILE H . 50776 1 150 . 1 . 1 35 35 ILE C C 13 175.55 . . . . . . . . 35 ILE C . 50776 1 151 . 1 . 1 35 35 ILE CA C 13 60.76 . . . . . . . . 35 ILE CA . 50776 1 152 . 1 . 1 35 35 ILE CB C 13 38.94 . . . . . . . . 35 ILE CB . 50776 1 153 . 1 . 1 35 35 ILE N N 15 122.46 . . . . . . . . 35 ILE N . 50776 1 154 . 1 . 1 36 36 ALA H H 1 8.35 . . . . . . . . 36 ALA H . 50776 1 155 . 1 . 1 36 36 ALA C C 13 174.61 . . . . . . . . 36 ALA C . 50776 1 156 . 1 . 1 36 36 ALA CA C 13 50.13 . . . . . . . . 36 ALA CA . 50776 1 157 . 1 . 1 36 36 ALA CB C 13 18.85 . . . . . . . . 36 ALA CB . 50776 1 158 . 1 . 1 36 36 ALA N N 15 129.89 . . . . . . . . 36 ALA N . 50776 1 159 . 1 . 1 38 38 PRO C C 13 175.76 . . . . . . . . 38 PRO C . 50776 1 160 . 1 . 1 38 38 PRO CA C 13 62.77 . . . . . . . . 38 PRO CA . 50776 1 161 . 1 . 1 38 38 PRO CB C 13 32.19 . . . . . . . . 38 PRO CB . 50776 1 162 . 1 . 1 39 39 TYR H H 1 9.47 . . . . . . . . 39 TYR H . 50776 1 163 . 1 . 1 39 39 TYR C C 13 173.87 . . . . . . . . 39 TYR C . 50776 1 164 . 1 . 1 39 39 TYR CA C 13 57.29 . . . . . . . . 39 TYR CA . 50776 1 165 . 1 . 1 39 39 TYR CB C 13 38.4 . . . . . . . . 39 TYR CB . 50776 1 166 . 1 . 1 39 39 TYR N N 15 122.52 . . . . . . . . 39 TYR N . 50776 1 167 . 1 . 1 40 40 ARG H H 1 9.37 . . . . . . . . 40 ARG H . 50776 1 168 . 1 . 1 40 40 ARG C C 13 175.67 . . . . . . . . 40 ARG C . 50776 1 169 . 1 . 1 40 40 ARG CA C 13 54.19 . . . . . . . . 40 ARG CA . 50776 1 170 . 1 . 1 40 40 ARG CB C 13 33.08 . . . . . . . . 40 ARG CB . 50776 1 171 . 1 . 1 40 40 ARG N N 15 116.27 . . . . . . . . 40 ARG N . 50776 1 172 . 1 . 1 41 41 VAL H H 1 8.43 . . . . . . . . 41 VAL H . 50776 1 173 . 1 . 1 41 41 VAL C C 13 174.4 . . . . . . . . 41 VAL C . 50776 1 174 . 1 . 1 41 41 VAL CA C 13 61.79 . . . . . . . . 41 VAL CA . 50776 1 175 . 1 . 1 41 41 VAL CB C 13 32.75 . . . . . . . . 41 VAL CB . 50776 1 176 . 1 . 1 41 41 VAL N N 15 121.47 . . . . . . . . 41 VAL N . 50776 1 177 . 1 . 1 42 42 ILE H H 1 9.39 . . . . . . . . 42 ILE H . 50776 1 178 . 1 . 1 42 42 ILE C C 13 175.71 . . . . . . . . 42 ILE C . 50776 1 179 . 1 . 1 42 42 ILE CA C 13 58.55 . . . . . . . . 42 ILE CA . 50776 1 180 . 1 . 1 42 42 ILE CB C 13 38.85 . . . . . . . . 42 ILE CB . 50776 1 181 . 1 . 1 42 42 ILE N N 15 129.13 . . . . . . . . 42 ILE N . 50776 1 182 . 1 . 1 43 43 LEU H H 1 9.07 . . . . . . . . 43 LEU H . 50776 1 183 . 1 . 1 43 43 LEU C C 13 180.12 . . . . . . . . 43 LEU C . 50776 1 184 . 1 . 1 43 43 LEU CA C 13 58.84 . . . . . . . . 43 LEU CA . 50776 1 185 . 1 . 1 43 43 LEU CB C 13 45.45 . . . . . . . . 43 LEU CB . 50776 1 186 . 1 . 1 43 43 LEU N N 15 129.4 . . . . . . . . 43 LEU N . 50776 1 187 . 1 . 1 45 45 ASN C C 13 175.3 . . . . . . . . 45 ASN C . 50776 1 188 . 1 . 1 45 45 ASN CA C 13 52.81 . . . . . . . . 45 ASN CA . 50776 1 189 . 1 . 1 45 45 ASN CB C 13 38.94 . . . . . . . . 45 ASN CB . 50776 1 190 . 1 . 1 46 46 ASP H H 1 9.06 . . . . . . . . 46 ASP H . 50776 1 191 . 1 . 1 46 46 ASP C C 13 175.97 . . . . . . . . 46 ASP C . 50776 1 192 . 1 . 1 46 46 ASP CA C 13 57.94 . . . . . . . . 46 ASP CA . 50776 1 193 . 1 . 1 46 46 ASP CB C 13 41.32 . . . . . . . . 46 ASP CB . 50776 1 194 . 1 . 1 46 46 ASP N N 15 118.52 . . . . . . . . 46 ASP N . 50776 1 195 . 1 . 1 47 47 ASN H H 1 9.48 . . . . . . . . 47 ASN H . 50776 1 196 . 1 . 1 47 47 ASN C C 13 176.54 . . . . . . . . 47 ASN C . 50776 1 197 . 1 . 1 47 47 ASN CA C 13 54.19 . . . . . . . . 47 ASN CA . 50776 1 198 . 1 . 1 47 47 ASN CB C 13 39.53 . . . . . . . . 47 ASN CB . 50776 1 199 . 1 . 1 47 47 ASN N N 15 123.23 . . . . . . . . 47 ASN N . 50776 1 200 . 1 . 1 48 48 PHE H H 1 8.85 . . . . . . . . 48 PHE H . 50776 1 201 . 1 . 1 48 48 PHE C C 13 178.32 . . . . . . . . 48 PHE C . 50776 1 202 . 1 . 1 48 48 PHE CA C 13 55.99 . . . . . . . . 48 PHE CA . 50776 1 203 . 1 . 1 48 48 PHE CB C 13 39.66 . . . . . . . . 48 PHE CB . 50776 1 204 . 1 . 1 48 48 PHE N N 15 122.55 . . . . . . . . 48 PHE N . 50776 1 205 . 1 . 1 49 49 ASN H H 1 8.91 . . . . . . . . 49 ASN H . 50776 1 206 . 1 . 1 49 49 ASN C C 13 178.18 . . . . . . . . 49 ASN C . 50776 1 207 . 1 . 1 49 49 ASN N N 15 124.81 . . . . . . . . 49 ASN N . 50776 1 208 . 1 . 1 51 51 ARG C C 13 178.11 . . . . . . . . 51 ARG C . 50776 1 209 . 1 . 1 51 51 ARG CA C 13 60.17 . . . . . . . . 51 ARG CA . 50776 1 210 . 1 . 1 51 51 ARG CB C 13 30.18 . . . . . . . . 51 ARG CB . 50776 1 211 . 1 . 1 52 52 GLU H H 1 9.25 . . . . . . . . 52 GLU H . 50776 1 212 . 1 . 1 52 52 GLU C C 13 178.64 . . . . . . . . 52 GLU C . 50776 1 213 . 1 . 1 52 52 GLU CA C 13 59.79 . . . . . . . . 52 GLU CA . 50776 1 214 . 1 . 1 52 52 GLU CB C 13 28.6 . . . . . . . . 52 GLU CB . 50776 1 215 . 1 . 1 52 52 GLU N N 15 115.5 . . . . . . . . 52 GLU N . 50776 1 216 . 1 . 1 53 53 TYR H H 1 7.06 . . . . . . . . 53 TYR H . 50776 1 217 . 1 . 1 53 53 TYR C C 13 176.22 . . . . . . . . 53 TYR C . 50776 1 218 . 1 . 1 53 53 TYR CA C 13 60.94 . . . . . . . . 53 TYR CA . 50776 1 219 . 1 . 1 53 53 TYR CB C 13 38.94 . . . . . . . . 53 TYR CB . 50776 1 220 . 1 . 1 53 53 TYR N N 15 120.53 . . . . . . . . 53 TYR N . 50776 1 221 . 1 . 1 54 54 VAL H H 1 7.58 . . . . . . . . 54 VAL H . 50776 1 222 . 1 . 1 54 54 VAL C C 13 177.81 . . . . . . . . 54 VAL C . 50776 1 223 . 1 . 1 54 54 VAL CA C 13 67.3 . . . . . . . . 54 VAL CA . 50776 1 224 . 1 . 1 54 54 VAL CB C 13 31.57 . . . . . . . . 54 VAL CB . 50776 1 225 . 1 . 1 54 54 VAL N N 15 119.04 . . . . . . . . 54 VAL N . 50776 1 226 . 1 . 1 55 55 VAL H H 1 7.45 . . . . . . . . 55 VAL H . 50776 1 227 . 1 . 1 55 55 VAL C C 13 176.87 . . . . . . . . 55 VAL C . 50776 1 228 . 1 . 1 55 55 VAL CA C 13 67.48 . . . . . . . . 55 VAL CA . 50776 1 229 . 1 . 1 55 55 VAL CB C 13 31.97 . . . . . . . . 55 VAL CB . 50776 1 230 . 1 . 1 55 55 VAL N N 15 116.47 . . . . . . . . 55 VAL N . 50776 1 231 . 1 . 1 56 56 GLN H H 1 7.4 . . . . . . . . 56 GLN H . 50776 1 232 . 1 . 1 56 56 GLN C C 13 179.27 . . . . . . . . 56 GLN C . 50776 1 233 . 1 . 1 56 56 GLN CA C 13 59.17 . . . . . . . . 56 GLN CA . 50776 1 234 . 1 . 1 56 56 GLN CB C 13 28.24 . . . . . . . . 56 GLN CB . 50776 1 235 . 1 . 1 56 56 GLN N N 15 117.21 . . . . . . . . 56 GLN N . 50776 1 236 . 1 . 1 57 57 VAL H H 1 8.2 . . . . . . . . 57 VAL H . 50776 1 237 . 1 . 1 57 57 VAL C C 13 178 . . . . . . . . 57 VAL C . 50776 1 238 . 1 . 1 57 57 VAL CA C 13 67.21 . . . . . . . . 57 VAL CA . 50776 1 239 . 1 . 1 57 57 VAL CB C 13 31.25 . . . . . . . . 57 VAL CB . 50776 1 240 . 1 . 1 57 57 VAL N N 15 120.29 . . . . . . . . 57 VAL N . 50776 1 241 . 1 . 1 58 58 LEU H H 1 8.15 . . . . . . . . 58 LEU H . 50776 1 242 . 1 . 1 58 58 LEU C C 13 178.74 . . . . . . . . 58 LEU C . 50776 1 243 . 1 . 1 58 58 LEU CA C 13 59.43 . . . . . . . . 58 LEU CA . 50776 1 244 . 1 . 1 58 58 LEU CB C 13 42.12 . . . . . . . . 58 LEU CB . 50776 1 245 . 1 . 1 58 58 LEU N N 15 119.14 . . . . . . . . 58 LEU N . 50776 1 246 . 1 . 1 59 59 MET H H 1 7.78 . . . . . . . . 59 MET H . 50776 1 247 . 1 . 1 59 59 MET C C 13 178.25 . . . . . . . . 59 MET C . 50776 1 248 . 1 . 1 59 59 MET CA C 13 56.62 . . . . . . . . 59 MET CA . 50776 1 249 . 1 . 1 59 59 MET CB C 13 31.43 . . . . . . . . 59 MET CB . 50776 1 250 . 1 . 1 59 59 MET N N 15 112.99 . . . . . . . . 59 MET N . 50776 1 251 . 1 . 1 60 60 LYS H H 1 7.68 . . . . . . . . 60 LYS H . 50776 1 252 . 1 . 1 60 60 LYS C C 13 178.33 . . . . . . . . 60 LYS C . 50776 1 253 . 1 . 1 60 60 LYS CA C 13 58.2 . . . . . . . . 60 LYS CA . 50776 1 254 . 1 . 1 60 60 LYS CB C 13 33.28 . . . . . . . . 60 LYS CB . 50776 1 255 . 1 . 1 60 60 LYS N N 15 119.48 . . . . . . . . 60 LYS N . 50776 1 256 . 1 . 1 61 61 VAL H H 1 7.92 . . . . . . . . 61 VAL H . 50776 1 257 . 1 . 1 61 61 VAL C C 13 175.78 . . . . . . . . 61 VAL C . 50776 1 258 . 1 . 1 61 61 VAL CA C 13 64 . . . . . . . . 61 VAL CA . 50776 1 259 . 1 . 1 61 61 VAL CB C 13 33.7 . . . . . . . . 61 VAL CB . 50776 1 260 . 1 . 1 61 61 VAL N N 15 113.66 . . . . . . . . 61 VAL N . 50776 1 261 . 1 . 1 62 62 ILE H H 1 7.54 . . . . . . . . 62 ILE H . 50776 1 262 . 1 . 1 62 62 ILE C C 13 174.01 . . . . . . . . 62 ILE C . 50776 1 263 . 1 . 1 62 62 ILE CB C 13 37.78 . . . . . . . . 62 ILE CB . 50776 1 264 . 1 . 1 62 62 ILE N N 15 119.25 . . . . . . . . 62 ILE N . 50776 1 265 . 1 . 1 63 63 PRO C C 13 178 . . . . . . . . 63 PRO C . 50776 1 266 . 1 . 1 63 63 PRO CA C 13 63.74 . . . . . . . . 63 PRO CA . 50776 1 267 . 1 . 1 63 63 PRO CB C 13 31.57 . . . . . . . . 63 PRO CB . 50776 1 268 . 1 . 1 64 64 GLY H H 1 8.86 . . . . . . . . 64 GLY H . 50776 1 269 . 1 . 1 64 64 GLY C C 13 174.61 . . . . . . . . 64 GLY C . 50776 1 270 . 1 . 1 64 64 GLY CA C 13 45.3 . . . . . . . . 64 GLY CA . 50776 1 271 . 1 . 1 64 64 GLY N N 15 111.75 . . . . . . . . 64 GLY N . 50776 1 272 . 1 . 1 65 65 MET H H 1 7.41 . . . . . . . . 65 MET H . 50776 1 273 . 1 . 1 65 65 MET C C 13 175.32 . . . . . . . . 65 MET C . 50776 1 274 . 1 . 1 65 65 MET CA C 13 54.49 . . . . . . . . 65 MET CA . 50776 1 275 . 1 . 1 65 65 MET CB C 13 30.37 . . . . . . . . 65 MET CB . 50776 1 276 . 1 . 1 65 65 MET N N 15 120.83 . . . . . . . . 65 MET N . 50776 1 277 . 1 . 1 66 66 THR H H 1 7.34 . . . . . . . . 66 THR H . 50776 1 278 . 1 . 1 66 66 THR C C 13 175.32 . . . . . . . . 66 THR C . 50776 1 279 . 1 . 1 66 66 THR CA C 13 59.32 . . . . . . . . 66 THR CA . 50776 1 280 . 1 . 1 66 66 THR CB C 13 71.96 . . . . . . . . 66 THR CB . 50776 1 281 . 1 . 1 66 66 THR N N 15 115.76 . . . . . . . . 66 THR N . 50776 1 282 . 1 . 1 67 67 VAL H H 1 8.85 . . . . . . . . 67 VAL H . 50776 1 283 . 1 . 1 67 67 VAL C C 13 176.84 . . . . . . . . 67 VAL C . 50776 1 284 . 1 . 1 67 67 VAL CA C 13 66.68 . . . . . . . . 67 VAL CA . 50776 1 285 . 1 . 1 67 67 VAL CB C 13 31.6 . . . . . . . . 67 VAL CB . 50776 1 286 . 1 . 1 67 67 VAL N N 15 123.33 . . . . . . . . 67 VAL N . 50776 1 287 . 1 . 1 68 68 ASP H H 1 8.04 . . . . . . . . 68 ASP H . 50776 1 288 . 1 . 1 68 68 ASP C C 13 178.74 . . . . . . . . 68 ASP C . 50776 1 289 . 1 . 1 68 68 ASP CA C 13 57.11 . . . . . . . . 68 ASP CA . 50776 1 290 . 1 . 1 68 68 ASP CB C 13 40.59 . . . . . . . . 68 ASP CB . 50776 1 291 . 1 . 1 68 68 ASP N N 15 116.83 . . . . . . . . 68 ASP N . 50776 1 292 . 1 . 1 69 69 ASN H H 1 7.43 . . . . . . . . 69 ASN H . 50776 1 293 . 1 . 1 69 69 ASN C C 13 176.59 . . . . . . . . 69 ASN C . 50776 1 294 . 1 . 1 69 69 ASN CA C 13 55.55 . . . . . . . . 69 ASN CA . 50776 1 295 . 1 . 1 69 69 ASN CB C 13 38.76 . . . . . . . . 69 ASN CB . 50776 1 296 . 1 . 1 69 69 ASN N N 15 117.45 . . . . . . . . 69 ASN N . 50776 1 297 . 1 . 1 70 70 ALA H H 1 8.57 . . . . . . . . 70 ALA H . 50776 1 298 . 1 . 1 70 70 ALA C C 13 179.29 . . . . . . . . 70 ALA C . 50776 1 299 . 1 . 1 70 70 ALA CA C 13 56.08 . . . . . . . . 70 ALA CA . 50776 1 300 . 1 . 1 70 70 ALA CB C 13 19.67 . . . . . . . . 70 ALA CB . 50776 1 301 . 1 . 1 70 70 ALA N N 15 124.11 . . . . . . . . 70 ALA N . 50776 1 302 . 1 . 1 71 71 VAL H H 1 8.51 . . . . . . . . 71 VAL H . 50776 1 303 . 1 . 1 71 71 VAL C C 13 178.12 . . . . . . . . 71 VAL C . 50776 1 304 . 1 . 1 71 71 VAL CA C 13 67.04 . . . . . . . . 71 VAL CA . 50776 1 305 . 1 . 1 71 71 VAL CB C 13 31.69 . . . . . . . . 71 VAL CB . 50776 1 306 . 1 . 1 71 71 VAL N N 15 117.45 . . . . . . . . 71 VAL N . 50776 1 307 . 1 . 1 72 72 ASN H H 1 7.56 . . . . . . . . 72 ASN H . 50776 1 308 . 1 . 1 72 72 ASN C C 13 178.28 . . . . . . . . 72 ASN C . 50776 1 309 . 1 . 1 72 72 ASN CA C 13 56.79 . . . . . . . . 72 ASN CA . 50776 1 310 . 1 . 1 72 72 ASN CB C 13 38.14 . . . . . . . . 72 ASN CB . 50776 1 311 . 1 . 1 72 72 ASN N N 15 118.98 . . . . . . . . 72 ASN N . 50776 1 312 . 1 . 1 73 73 ILE H H 1 8.45 . . . . . . . . 73 ILE H . 50776 1 313 . 1 . 1 73 73 ILE C C 13 177.1 . . . . . . . . 73 ILE C . 50776 1 314 . 1 . 1 73 73 ILE CA C 13 65.45 . . . . . . . . 73 ILE CA . 50776 1 315 . 1 . 1 73 73 ILE CB C 13 38.47 . . . . . . . . 73 ILE CB . 50776 1 316 . 1 . 1 73 73 ILE N N 15 123.18 . . . . . . . . 73 ILE N . 50776 1 317 . 1 . 1 74 74 MET H H 1 8.05 . . . . . . . . 74 MET H . 50776 1 318 . 1 . 1 74 74 MET C C 13 178.94 . . . . . . . . 74 MET C . 50776 1 319 . 1 . 1 74 74 MET CA C 13 59.17 . . . . . . . . 74 MET CA . 50776 1 320 . 1 . 1 74 74 MET CB C 13 30.37 . . . . . . . . 74 MET CB . 50776 1 321 . 1 . 1 74 74 MET N N 15 119.06 . . . . . . . . 74 MET N . 50776 1 322 . 1 . 1 75 75 GLN H H 1 8.66 . . . . . . . . 75 GLN H . 50776 1 323 . 1 . 1 75 75 GLN C C 13 178.34 . . . . . . . . 75 GLN C . 50776 1 324 . 1 . 1 75 75 GLN CA C 13 59.26 . . . . . . . . 75 GLN CA . 50776 1 325 . 1 . 1 75 75 GLN CB C 13 28.24 . . . . . . . . 75 GLN CB . 50776 1 326 . 1 . 1 75 75 GLN N N 15 120.25 . . . . . . . . 75 GLN N . 50776 1 327 . 1 . 1 76 76 GLU H H 1 8.25 . . . . . . . . 76 GLU H . 50776 1 328 . 1 . 1 76 76 GLU C C 13 178.85 . . . . . . . . 76 GLU C . 50776 1 329 . 1 . 1 76 76 GLU CA C 13 59.58 . . . . . . . . 76 GLU CA . 50776 1 330 . 1 . 1 76 76 GLU CB C 13 28.95 . . . . . . . . 76 GLU CB . 50776 1 331 . 1 . 1 76 76 GLU N N 15 121.47 . . . . . . . . 76 GLU N . 50776 1 332 . 1 . 1 77 77 ALA H H 1 8.28 . . . . . . . . 77 ALA H . 50776 1 333 . 1 . 1 77 77 ALA C C 13 179.36 . . . . . . . . 77 ALA C . 50776 1 334 . 1 . 1 77 77 ALA CA C 13 54.58 . . . . . . . . 77 ALA CA . 50776 1 335 . 1 . 1 77 77 ALA CB C 13 16.76 . . . . . . . . 77 ALA CB . 50776 1 336 . 1 . 1 77 77 ALA N N 15 120.98 . . . . . . . . 77 ALA N . 50776 1 337 . 1 . 1 78 78 HIS H H 1 7.97 . . . . . . . . 78 HIS H . 50776 1 338 . 1 . 1 78 78 HIS C C 13 177.24 . . . . . . . . 78 HIS C . 50776 1 339 . 1 . 1 78 78 HIS CA C 13 59.06 . . . . . . . . 78 HIS CA . 50776 1 340 . 1 . 1 78 78 HIS CB C 13 29.89 . . . . . . . . 78 HIS CB . 50776 1 341 . 1 . 1 78 78 HIS N N 15 116.89 . . . . . . . . 78 HIS N . 50776 1 342 . 1 . 1 79 79 ILE H H 1 8.05 . . . . . . . . 79 ILE H . 50776 1 343 . 1 . 1 79 79 ILE C C 13 177.67 . . . . . . . . 79 ILE C . 50776 1 344 . 1 . 1 79 79 ILE CA C 13 63.39 . . . . . . . . 79 ILE CA . 50776 1 345 . 1 . 1 79 79 ILE CB C 13 38.82 . . . . . . . . 79 ILE CB . 50776 1 346 . 1 . 1 79 79 ILE N N 15 117.54 . . . . . . . . 79 ILE N . 50776 1 347 . 1 . 1 80 80 ASN H H 1 8.55 . . . . . . . . 80 ASN H . 50776 1 348 . 1 . 1 80 80 ASN C C 13 176.18 . . . . . . . . 80 ASN C . 50776 1 349 . 1 . 1 80 80 ASN CA C 13 53.58 . . . . . . . . 80 ASN CA . 50776 1 350 . 1 . 1 80 80 ASN CB C 13 40.14 . . . . . . . . 80 ASN CB . 50776 1 351 . 1 . 1 80 80 ASN N N 15 115.51 . . . . . . . . 80 ASN N . 50776 1 352 . 1 . 1 81 81 GLY H H 1 7.7 . . . . . . . . 81 GLY H . 50776 1 353 . 1 . 1 81 81 GLY C C 13 173.48 . . . . . . . . 81 GLY C . 50776 1 354 . 1 . 1 81 81 GLY CA C 13 46.6 . . . . . . . . 81 GLY CA . 50776 1 355 . 1 . 1 81 81 GLY N N 15 111.67 . . . . . . . . 81 GLY N . 50776 1 356 . 1 . 1 82 82 LEU H H 1 7.19 . . . . . . . . 82 LEU H . 50776 1 357 . 1 . 1 82 82 LEU C C 13 174.61 . . . . . . . . 82 LEU C . 50776 1 358 . 1 . 1 82 82 LEU CA C 13 54.14 . . . . . . . . 82 LEU CA . 50776 1 359 . 1 . 1 82 82 LEU CB C 13 42.91 . . . . . . . . 82 LEU CB . 50776 1 360 . 1 . 1 82 82 LEU N N 15 117.49 . . . . . . . . 82 LEU N . 50776 1 361 . 1 . 1 83 83 ALA H H 1 8.65 . . . . . . . . 83 ALA H . 50776 1 362 . 1 . 1 83 83 ALA C C 13 175.23 . . . . . . . . 83 ALA C . 50776 1 363 . 1 . 1 83 83 ALA CA C 13 51.54 . . . . . . . . 83 ALA CA . 50776 1 364 . 1 . 1 83 83 ALA CB C 13 20.21 . . . . . . . . 83 ALA CB . 50776 1 365 . 1 . 1 83 83 ALA N N 15 120.93 . . . . . . . . 83 ALA N . 50776 1 366 . 1 . 1 84 84 VAL H H 1 8.66 . . . . . . . . 84 VAL H . 50776 1 367 . 1 . 1 84 84 VAL C C 13 175.65 . . . . . . . . 84 VAL C . 50776 1 368 . 1 . 1 84 84 VAL CA C 13 63.68 . . . . . . . . 84 VAL CA . 50776 1 369 . 1 . 1 84 84 VAL CB C 13 31.78 . . . . . . . . 84 VAL CB . 50776 1 370 . 1 . 1 84 84 VAL N N 15 121.85 . . . . . . . . 84 VAL N . 50776 1 371 . 1 . 1 85 85 VAL H H 1 9.35 . . . . . . . . 85 VAL H . 50776 1 372 . 1 . 1 85 85 VAL C C 13 174.2 . . . . . . . . 85 VAL C . 50776 1 373 . 1 . 1 85 85 VAL CA C 13 64.09 . . . . . . . . 85 VAL CA . 50776 1 374 . 1 . 1 85 85 VAL CB C 13 33.47 . . . . . . . . 85 VAL CB . 50776 1 375 . 1 . 1 85 85 VAL N N 15 127.62 . . . . . . . . 85 VAL N . 50776 1 376 . 1 . 1 86 86 ILE H H 1 7.02 . . . . . . . . 86 ILE H . 50776 1 377 . 1 . 1 86 86 ILE C C 13 170.85 . . . . . . . . 86 ILE C . 50776 1 378 . 1 . 1 86 86 ILE CA C 13 60.12 . . . . . . . . 86 ILE CA . 50776 1 379 . 1 . 1 86 86 ILE CB C 13 39.88 . . . . . . . . 86 ILE CB . 50776 1 380 . 1 . 1 86 86 ILE N N 15 112.97 . . . . . . . . 86 ILE N . 50776 1 381 . 1 . 1 87 87 VAL H H 1 7.88 . . . . . . . . 87 VAL H . 50776 1 382 . 1 . 1 87 87 VAL C C 13 175.81 . . . . . . . . 87 VAL C . 50776 1 383 . 1 . 1 87 87 VAL CA C 13 61.18 . . . . . . . . 87 VAL CA . 50776 1 384 . 1 . 1 87 87 VAL CB C 13 32.9 . . . . . . . . 87 VAL CB . 50776 1 385 . 1 . 1 87 87 VAL N N 15 126.69 . . . . . . . . 87 VAL N . 50776 1 386 . 1 . 1 88 88 CYS H H 1 9.43 . . . . . . . . 88 CYS H . 50776 1 387 . 1 . 1 88 88 CYS C C 13 171.84 . . . . . . . . 88 CYS C . 50776 1 388 . 1 . 1 88 88 CYS CA C 13 56.14 . . . . . . . . 88 CYS CA . 50776 1 389 . 1 . 1 88 88 CYS CB C 13 29.63 . . . . . . . . 88 CYS CB . 50776 1 390 . 1 . 1 88 88 CYS N N 15 123.11 . . . . . . . . 88 CYS N . 50776 1 391 . 1 . 1 89 89 ALA H H 1 8.56 . . . . . . . . 89 ALA H . 50776 1 392 . 1 . 1 89 89 ALA C C 13 178.51 . . . . . . . . 89 ALA C . 50776 1 393 . 1 . 1 89 89 ALA CA C 13 52.87 . . . . . . . . 89 ALA CA . 50776 1 394 . 1 . 1 89 89 ALA CB C 13 19.11 . . . . . . . . 89 ALA CB . 50776 1 395 . 1 . 1 89 89 ALA N N 15 121.38 . . . . . . . . 89 ALA N . 50776 1 396 . 1 . 1 90 90 GLN H H 1 8.91 . . . . . . . . 90 GLN H . 50776 1 397 . 1 . 1 90 90 GLN C C 13 176.66 . . . . . . . . 90 GLN C . 50776 1 398 . 1 . 1 90 90 GLN CA C 13 60.82 . . . . . . . . 90 GLN CA . 50776 1 399 . 1 . 1 90 90 GLN CB C 13 28.66 . . . . . . . . 90 GLN CB . 50776 1 400 . 1 . 1 90 90 GLN N N 15 121.51 . . . . . . . . 90 GLN N . 50776 1 401 . 1 . 1 91 91 ALA H H 1 8.72 . . . . . . . . 91 ALA H . 50776 1 402 . 1 . 1 91 91 ALA C C 13 180.83 . . . . . . . . 91 ALA C . 50776 1 403 . 1 . 1 91 91 ALA CA C 13 55.37 . . . . . . . . 91 ALA CA . 50776 1 404 . 1 . 1 91 91 ALA CB C 13 17.91 . . . . . . . . 91 ALA CB . 50776 1 405 . 1 . 1 91 91 ALA N N 15 117.96 . . . . . . . . 91 ALA N . 50776 1 406 . 1 . 1 92 92 ASP H H 1 6.81 . . . . . . . . 92 ASP H . 50776 1 407 . 1 . 1 92 92 ASP C C 13 175.97 . . . . . . . . 92 ASP C . 50776 1 408 . 1 . 1 92 92 ASP CA C 13 56.58 . . . . . . . . 92 ASP CA . 50776 1 409 . 1 . 1 92 92 ASP CB C 13 40.67 . . . . . . . . 92 ASP CB . 50776 1 410 . 1 . 1 92 92 ASP N N 15 116.88 . . . . . . . . 92 ASP N . 50776 1 411 . 1 . 1 93 93 ALA H H 1 8.52 . . . . . . . . 93 ALA H . 50776 1 412 . 1 . 1 93 93 ALA C C 13 179.36 . . . . . . . . 93 ALA C . 50776 1 413 . 1 . 1 93 93 ALA CA C 13 54.84 . . . . . . . . 93 ALA CA . 50776 1 414 . 1 . 1 93 93 ALA CB C 13 18.44 . . . . . . . . 93 ALA CB . 50776 1 415 . 1 . 1 93 93 ALA N N 15 123.01 . . . . . . . . 93 ALA N . 50776 1 416 . 1 . 1 94 94 GLU H H 1 8.24 . . . . . . . . 94 GLU H . 50776 1 417 . 1 . 1 94 94 GLU C C 13 179.32 . . . . . . . . 94 GLU C . 50776 1 418 . 1 . 1 94 94 GLU CA C 13 59.67 . . . . . . . . 94 GLU CA . 50776 1 419 . 1 . 1 94 94 GLU CB C 13 29.28 . . . . . . . . 94 GLU CB . 50776 1 420 . 1 . 1 94 94 GLU N N 15 115.92 . . . . . . . . 94 GLU N . 50776 1 421 . 1 . 1 95 95 GLN H H 1 7.21 . . . . . . . . 95 GLN H . 50776 1 422 . 1 . 1 95 95 GLN C C 13 178.62 . . . . . . . . 95 GLN C . 50776 1 423 . 1 . 1 95 95 GLN CA C 13 59.26 . . . . . . . . 95 GLN CA . 50776 1 424 . 1 . 1 95 95 GLN CB C 13 28.07 . . . . . . . . 95 GLN CB . 50776 1 425 . 1 . 1 95 95 GLN N N 15 119.85 . . . . . . . . 95 GLN N . 50776 1 426 . 1 . 1 96 96 HIS H H 1 8.58 . . . . . . . . 96 HIS H . 50776 1 427 . 1 . 1 96 96 HIS C C 13 178.27 . . . . . . . . 96 HIS C . 50776 1 428 . 1 . 1 96 96 HIS CA C 13 58.11 . . . . . . . . 96 HIS CA . 50776 1 429 . 1 . 1 96 96 HIS CB C 13 30.37 . . . . . . . . 96 HIS CB . 50776 1 430 . 1 . 1 96 96 HIS N N 15 119.34 . . . . . . . . 96 HIS N . 50776 1 431 . 1 . 1 97 97 CYS H H 1 8.55 . . . . . . . . 97 CYS H . 50776 1 432 . 1 . 1 97 97 CYS C C 13 176.5 . . . . . . . . 97 CYS C . 50776 1 433 . 1 . 1 97 97 CYS CA C 13 62.41 . . . . . . . . 97 CYS CA . 50776 1 434 . 1 . 1 97 97 CYS CB C 13 27.24 . . . . . . . . 97 CYS CB . 50776 1 435 . 1 . 1 97 97 CYS N N 15 118.43 . . . . . . . . 97 CYS N . 50776 1 436 . 1 . 1 98 98 MET H H 1 8 . . . . . . . . 98 MET H . 50776 1 437 . 1 . 1 98 98 MET C C 13 180.17 . . . . . . . . 98 MET C . 50776 1 438 . 1 . 1 98 98 MET CA C 13 58.97 . . . . . . . . 98 MET CA . 50776 1 439 . 1 . 1 98 98 MET CB C 13 31.57 . . . . . . . . 98 MET CB . 50776 1 440 . 1 . 1 98 98 MET N N 15 117.49 . . . . . . . . 98 MET N . 50776 1 441 . 1 . 1 99 99 GLN H H 1 8.27 . . . . . . . . 99 GLN H . 50776 1 442 . 1 . 1 99 99 GLN C C 13 179.96 . . . . . . . . 99 GLN C . 50776 1 443 . 1 . 1 99 99 GLN CA C 13 59.06 . . . . . . . . 99 GLN CA . 50776 1 444 . 1 . 1 99 99 GLN CB C 13 28.92 . . . . . . . . 99 GLN CB . 50776 1 445 . 1 . 1 99 99 GLN N N 15 120.29 . . . . . . . . 99 GLN N . 50776 1 446 . 1 . 1 101 101 ARG C C 13 182.26 . . . . . . . . 101 ARG C . 50776 1 447 . 1 . 1 101 101 ARG CA C 13 58.97 . . . . . . . . 101 ARG CA . 50776 1 448 . 1 . 1 101 101 ARG CB C 13 30.51 . . . . . . . . 101 ARG CB . 50776 1 449 . 1 . 1 102 102 GLY H H 1 8.65 . . . . . . . . 102 GLY H . 50776 1 450 . 1 . 1 102 102 GLY C C 13 174.7 . . . . . . . . 102 GLY C . 50776 1 451 . 1 . 1 102 102 GLY CA C 13 46.42 . . . . . . . . 102 GLY CA . 50776 1 452 . 1 . 1 102 102 GLY N N 15 109.35 . . . . . . . . 102 GLY N . 50776 1 453 . 1 . 1 103 103 ASN H H 1 7.37 . . . . . . . . 103 ASN H . 50776 1 454 . 1 . 1 103 103 ASN C C 13 175.28 . . . . . . . . 103 ASN C . 50776 1 455 . 1 . 1 103 103 ASN CA C 13 54.14 . . . . . . . . 103 ASN CA . 50776 1 456 . 1 . 1 103 103 ASN CB C 13 40.07 . . . . . . . . 103 ASN CB . 50776 1 457 . 1 . 1 103 103 ASN N N 15 116.58 . . . . . . . . 103 ASN N . 50776 1 458 . 1 . 1 104 104 GLY H H 1 8.18 . . . . . . . . 104 GLY H . 50776 1 459 . 1 . 1 104 104 GLY C C 13 174.1 . . . . . . . . 104 GLY C . 50776 1 460 . 1 . 1 104 104 GLY CA C 13 45.21 . . . . . . . . 104 GLY CA . 50776 1 461 . 1 . 1 104 104 GLY N N 15 108.74 . . . . . . . . 104 GLY N . 50776 1 462 . 1 . 1 105 105 LEU H H 1 7.71 . . . . . . . . 105 LEU H . 50776 1 463 . 1 . 1 105 105 LEU C C 13 175.78 . . . . . . . . 105 LEU C . 50776 1 464 . 1 . 1 105 105 LEU CA C 13 53.61 . . . . . . . . 105 LEU CA . 50776 1 465 . 1 . 1 105 105 LEU CB C 13 41.68 . . . . . . . . 105 LEU CB . 50776 1 466 . 1 . 1 105 105 LEU N N 15 119.28 . . . . . . . . 105 LEU N . 50776 1 467 . 1 . 1 106 106 LEU H H 1 9.83 . . . . . . . . 106 LEU H . 50776 1 468 . 1 . 1 106 106 LEU C C 13 175.49 . . . . . . . . 106 LEU C . 50776 1 469 . 1 . 1 106 106 LEU CA C 13 54.01 . . . . . . . . 106 LEU CA . 50776 1 470 . 1 . 1 106 106 LEU CB C 13 41.79 . . . . . . . . 106 LEU CB . 50776 1 471 . 1 . 1 106 106 LEU N N 15 122.51 . . . . . . . . 106 LEU N . 50776 1 472 . 1 . 1 107 107 SER H H 1 7.74 . . . . . . . . 107 SER H . 50776 1 473 . 1 . 1 107 107 SER C C 13 173.02 . . . . . . . . 107 SER C . 50776 1 474 . 1 . 1 107 107 SER CA C 13 55.43 . . . . . . . . 107 SER CA . 50776 1 475 . 1 . 1 107 107 SER CB C 13 65.86 . . . . . . . . 107 SER CB . 50776 1 476 . 1 . 1 107 107 SER N N 15 115.51 . . . . . . . . 107 SER N . 50776 1 477 . 1 . 1 108 108 SER H H 1 8.69 . . . . . . . . 108 SER H . 50776 1 478 . 1 . 1 108 108 SER C C 13 171.91 . . . . . . . . 108 SER C . 50776 1 479 . 1 . 1 108 108 SER CA C 13 58.55 . . . . . . . . 108 SER CA . 50776 1 480 . 1 . 1 108 108 SER CB C 13 65.69 . . . . . . . . 108 SER CB . 50776 1 481 . 1 . 1 108 108 SER N N 15 120.79 . . . . . . . . 108 SER N . 50776 1 482 . 1 . 1 109 109 VAL H H 1 8.5 . . . . . . . . 109 VAL H . 50776 1 483 . 1 . 1 109 109 VAL C C 13 175.63 . . . . . . . . 109 VAL C . 50776 1 484 . 1 . 1 109 109 VAL CA C 13 59.41 . . . . . . . . 109 VAL CA . 50776 1 485 . 1 . 1 109 109 VAL CB C 13 35.46 . . . . . . . . 109 VAL CB . 50776 1 486 . 1 . 1 109 109 VAL N N 15 113.93 . . . . . . . . 109 VAL N . 50776 1 487 . 1 . 1 110 110 GLU H H 1 8.48 . . . . . . . . 110 GLU H . 50776 1 488 . 1 . 1 110 110 GLU C C 13 172.07 . . . . . . . . 110 GLU C . 50776 1 489 . 1 . 1 110 110 GLU CA C 13 53.34 . . . . . . . . 110 GLU CA . 50776 1 490 . 1 . 1 110 110 GLU CB C 13 31.69 . . . . . . . . 110 GLU CB . 50776 1 491 . 1 . 1 110 110 GLU N N 15 120.61 . . . . . . . . 110 GLU N . 50776 1 492 . 1 . 1 111 111 PRO C C 13 176.18 . . . . . . . . 111 PRO C . 50776 1 493 . 1 . 1 111 111 PRO CA C 13 62.8 . . . . . . . . 111 PRO CA . 50776 1 494 . 1 . 1 111 111 PRO CB C 13 31.51 . . . . . . . . 111 PRO CB . 50776 1 495 . 1 . 1 112 112 ASP H H 1 8.4 . . . . . . . . 112 ASP H . 50776 1 496 . 1 . 1 112 112 ASP C C 13 176.22 . . . . . . . . 112 ASP C . 50776 1 497 . 1 . 1 112 112 ASP CA C 13 54.22 . . . . . . . . 112 ASP CA . 50776 1 498 . 1 . 1 112 112 ASP CB C 13 43.27 . . . . . . . . 112 ASP CB . 50776 1 499 . 1 . 1 112 112 ASP N N 15 122.32 . . . . . . . . 112 ASP N . 50776 1 500 . 1 . 1 113 113 GLY H H 1 7.85 . . . . . . . . 113 GLY H . 50776 1 501 . 1 . 1 113 113 GLY C C 13 174.77 . . . . . . . . 113 GLY C . 50776 1 502 . 1 . 1 113 113 GLY CA C 13 45.44 . . . . . . . . 113 GLY CA . 50776 1 503 . 1 . 1 113 113 GLY N N 15 109.94 . . . . . . . . 113 GLY N . 50776 1 504 . 1 . 1 114 114 GLY H H 1 8.27 . . . . . . . . 114 GLY H . 50776 1 505 . 1 . 1 114 114 GLY C C 13 174.77 . . . . . . . . 114 GLY C . 50776 1 506 . 1 . 1 114 114 GLY CA C 13 45.17 . . . . . . . . 114 GLY CA . 50776 1 507 . 1 . 1 114 114 GLY N N 15 108.92 . . . . . . . . 114 GLY N . 50776 1 508 . 1 . 1 115 115 GLY H H 1 8.18 . . . . . . . . 115 GLY H . 50776 1 509 . 1 . 1 115 115 GLY C C 13 174.13 . . . . . . . . 115 GLY C . 50776 1 510 . 1 . 1 115 115 GLY CA C 13 45.19 . . . . . . . . 115 GLY CA . 50776 1 511 . 1 . 1 115 115 GLY N N 15 108.81 . . . . . . . . 115 GLY N . 50776 1 512 . 1 . 1 116 116 CYS H H 1 8.24 . . . . . . . . 116 CYS H . 50776 1 513 . 1 . 1 116 116 CYS C C 13 174.89 . . . . . . . . 116 CYS C . 50776 1 514 . 1 . 1 116 116 CYS CA C 13 55.9 . . . . . . . . 116 CYS CA . 50776 1 515 . 1 . 1 116 116 CYS CB C 13 28.23 . . . . . . . . 116 CYS CB . 50776 1 516 . 1 . 1 116 116 CYS N N 15 119.37 . . . . . . . . 116 CYS N . 50776 1 517 . 1 . 1 117 117 ALA H H 1 8.42 . . . . . . . . 117 ALA H . 50776 1 518 . 1 . 1 117 117 ALA C C 13 177.56 . . . . . . . . 117 ALA C . 50776 1 519 . 1 . 1 117 117 ALA CA C 13 52.99 . . . . . . . . 117 ALA CA . 50776 1 520 . 1 . 1 117 117 ALA CB C 13 19.14 . . . . . . . . 117 ALA CB . 50776 1 521 . 1 . 1 117 117 ALA N N 15 126.46 . . . . . . . . 117 ALA N . 50776 1 522 . 1 . 1 118 118 GLU H H 1 8.21 . . . . . . . . 118 GLU H . 50776 1 523 . 1 . 1 118 118 GLU C C 13 176.13 . . . . . . . . 118 GLU C . 50776 1 524 . 1 . 1 118 118 GLU CA C 13 57.05 . . . . . . . . 118 GLU CA . 50776 1 525 . 1 . 1 118 118 GLU CB C 13 30.37 . . . . . . . . 118 GLU CB . 50776 1 526 . 1 . 1 118 118 GLU N N 15 119.44 . . . . . . . . 118 GLU N . 50776 1 527 . 1 . 1 119 119 PHE H H 1 7.95 . . . . . . . . 119 PHE H . 50776 1 528 . 1 . 1 119 119 PHE C C 13 175.33 . . . . . . . . 119 PHE C . 50776 1 529 . 1 . 1 119 119 PHE CA C 13 58.2 . . . . . . . . 119 PHE CA . 50776 1 530 . 1 . 1 119 119 PHE CB C 13 39.47 . . . . . . . . 119 PHE CB . 50776 1 531 . 1 . 1 119 119 PHE N N 15 119.88 . . . . . . . . 119 PHE N . 50776 1 532 . 1 . 1 120 120 LEU H H 1 7.97 . . . . . . . . 120 LEU H . 50776 1 533 . 1 . 1 120 120 LEU C C 13 176.61 . . . . . . . . 120 LEU C . 50776 1 534 . 1 . 1 120 120 LEU CA C 13 54.84 . . . . . . . . 120 LEU CA . 50776 1 535 . 1 . 1 120 120 LEU CB C 13 42.56 . . . . . . . . 120 LEU CB . 50776 1 536 . 1 . 1 120 120 LEU N N 15 123.61 . . . . . . . . 120 LEU N . 50776 1 537 . 1 . 1 121 121 VAL H H 1 7.89 . . . . . . . . 121 VAL H . 50776 1 538 . 1 . 1 121 121 VAL C C 13 174.33 . . . . . . . . 121 VAL C . 50776 1 539 . 1 . 1 121 121 VAL CA C 13 59.79 . . . . . . . . 121 VAL CA . 50776 1 540 . 1 . 1 121 121 VAL CB C 13 32.66 . . . . . . . . 121 VAL CB . 50776 1 541 . 1 . 1 121 121 VAL N N 15 122.44 . . . . . . . . 121 VAL N . 50776 1 542 . 1 . 1 122 122 PRO C C 13 176.04 . . . . . . . . 122 PRO C . 50776 1 543 . 1 . 1 122 122 PRO CA C 13 63.42 . . . . . . . . 122 PRO CA . 50776 1 544 . 1 . 1 122 122 PRO CB C 13 32.04 . . . . . . . . 122 PRO CB . 50776 1 545 . 1 . 1 123 123 ARG H H 1 7.88 . . . . . . . . 123 ARG H . 50776 1 546 . 1 . 1 123 123 ARG C C 13 181.2 . . . . . . . . 123 ARG C . 50776 1 547 . 1 . 1 123 123 ARG CA C 13 57.58 . . . . . . . . 123 ARG CA . 50776 1 548 . 1 . 1 123 123 ARG CB C 13 31.6 . . . . . . . . 123 ARG CB . 50776 1 549 . 1 . 1 123 123 ARG N N 15 126.76 . . . . . . . . 123 ARG N . 50776 1 stop_ save_