data_53226 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53226 _Entry.Title ; 1H, 15N, and 13C resonance assignment of human heat shock protein 10 (Hsp10) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-06-13 _Entry.Accession_date 2025-06-13 _Entry.Last_release_date 2025-06-13 _Entry.Original_release_date 2025-06-13 _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 'Assigned chemical shifts of human Hsp10 based on Tr-HSQC, HNCO, HNCACO, NOESY, HNCA, HNCACB, HNCOCA, HNCB' _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 Abigail Page . . . 0009-0006-5261-1577 53226 2 Wyatt Hendricks . . . . 53226 3 Marielle Walti . . . 0000-0002-2458-9062 53226 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Arizona' . 53226 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53226 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 53226 '15N chemical shifts' 92 53226 '1H chemical shifts' 93 53226 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 . . 2025-11-11 . original BMRB . 53226 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53226 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40944855 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C resonance assignment of human heat shock protein 10 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 19 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 287 _Citation.Page_last 292 _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 Abigail Page . . . . 53226 1 2 Wyatt Hendricks . . . . 53226 1 3 Marielle Walti . . . . 53226 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Hsp10 53226 1 co-chaperone 53226 1 co-chaperonin 53226 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53226 _Assembly.ID 1 _Assembly.Name Hsp10 _Assembly.BMRB_code . _Assembly.Number_of_components 7 _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 'homoheptamer, with each domain being 10.9kDa' _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 'Hsp10k, chain 1' 1 $entity_1 . . yes native no no . . . 53226 1 2 'Hsp10k, chain 2' 1 $entity_1 . . no native no no . . . 53226 1 3 'Hsp10k, chain 3' 1 $entity_1 . . no native no no . . . 53226 1 4 'Hsp10k, chain 4' 1 $entity_1 . . no native no no . . . 53226 1 5 'Hsp10k, chain 5' 1 $entity_1 . . no native no no . . . 53226 1 6 'Hsp10k, chain 6' 1 $entity_1 . . no native no no . . . 53226 1 7 'Hsp10k, chain 7' 1 $entity_1 . . no native no no . . . 53226 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53226 _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 ; MAGQAFRKFLPLFDRVLVER SAAETVTKGGIMLPEKSQGK VLQATVVAVGSGSKGKGGEI QPVSVKVGDKVLLPEYGGTK VVLDDKDYFLFRDGDILGKY VD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'The cochaperone in the Hsp60/Hsp10 biological system, vital for cell proliferation.' 53226 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53226 1 2 . ALA . 53226 1 3 . GLY . 53226 1 4 . GLN . 53226 1 5 . ALA . 53226 1 6 . PHE . 53226 1 7 . ARG . 53226 1 8 . LYS . 53226 1 9 . PHE . 53226 1 10 . LEU . 53226 1 11 . PRO . 53226 1 12 . LEU . 53226 1 13 . PHE . 53226 1 14 . ASP . 53226 1 15 . ARG . 53226 1 16 . VAL . 53226 1 17 . LEU . 53226 1 18 . VAL . 53226 1 19 . GLU . 53226 1 20 . ARG . 53226 1 21 . SER . 53226 1 22 . ALA . 53226 1 23 . ALA . 53226 1 24 . GLU . 53226 1 25 . THR . 53226 1 26 . VAL . 53226 1 27 . THR . 53226 1 28 . LYS . 53226 1 29 . GLY . 53226 1 30 . GLY . 53226 1 31 . ILE . 53226 1 32 . MET . 53226 1 33 . LEU . 53226 1 34 . PRO . 53226 1 35 . GLU . 53226 1 36 . LYS . 53226 1 37 . SER . 53226 1 38 . GLN . 53226 1 39 . GLY . 53226 1 40 . LYS . 53226 1 41 . VAL . 53226 1 42 . LEU . 53226 1 43 . GLN . 53226 1 44 . ALA . 53226 1 45 . THR . 53226 1 46 . VAL . 53226 1 47 . VAL . 53226 1 48 . ALA . 53226 1 49 . VAL . 53226 1 50 . GLY . 53226 1 51 . SER . 53226 1 52 . GLY . 53226 1 53 . SER . 53226 1 54 . LYS . 53226 1 55 . GLY . 53226 1 56 . LYS . 53226 1 57 . GLY . 53226 1 58 . GLY . 53226 1 59 . GLU . 53226 1 60 . ILE . 53226 1 61 . GLN . 53226 1 62 . PRO . 53226 1 63 . VAL . 53226 1 64 . SER . 53226 1 65 . VAL . 53226 1 66 . LYS . 53226 1 67 . VAL . 53226 1 68 . GLY . 53226 1 69 . ASP . 53226 1 70 . LYS . 53226 1 71 . VAL . 53226 1 72 . LEU . 53226 1 73 . LEU . 53226 1 74 . PRO . 53226 1 75 . GLU . 53226 1 76 . TYR . 53226 1 77 . GLY . 53226 1 78 . GLY . 53226 1 79 . THR . 53226 1 80 . LYS . 53226 1 81 . VAL . 53226 1 82 . VAL . 53226 1 83 . LEU . 53226 1 84 . ASP . 53226 1 85 . ASP . 53226 1 86 . LYS . 53226 1 87 . ASP . 53226 1 88 . TYR . 53226 1 89 . PHE . 53226 1 90 . LEU . 53226 1 91 . PHE . 53226 1 92 . ARG . 53226 1 93 . ASP . 53226 1 94 . GLY . 53226 1 95 . ASP . 53226 1 96 . ILE . 53226 1 97 . LEU . 53226 1 98 . GLY . 53226 1 99 . LYS . 53226 1 100 . TYR . 53226 1 101 . VAL . 53226 1 102 . ASP . 53226 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 53226 1 . ALA 2 2 53226 1 . GLY 3 3 53226 1 . GLN 4 4 53226 1 . ALA 5 5 53226 1 . PHE 6 6 53226 1 . ARG 7 7 53226 1 . LYS 8 8 53226 1 . PHE 9 9 53226 1 . LEU 10 10 53226 1 . PRO 11 11 53226 1 . LEU 12 12 53226 1 . PHE 13 13 53226 1 . ASP 14 14 53226 1 . ARG 15 15 53226 1 . VAL 16 16 53226 1 . LEU 17 17 53226 1 . VAL 18 18 53226 1 . GLU 19 19 53226 1 . ARG 20 20 53226 1 . SER 21 21 53226 1 . ALA 22 22 53226 1 . ALA 23 23 53226 1 . GLU 24 24 53226 1 . THR 25 25 53226 1 . VAL 26 26 53226 1 . THR 27 27 53226 1 . LYS 28 28 53226 1 . GLY 29 29 53226 1 . GLY 30 30 53226 1 . ILE 31 31 53226 1 . MET 32 32 53226 1 . LEU 33 33 53226 1 . PRO 34 34 53226 1 . GLU 35 35 53226 1 . LYS 36 36 53226 1 . SER 37 37 53226 1 . GLN 38 38 53226 1 . GLY 39 39 53226 1 . LYS 40 40 53226 1 . VAL 41 41 53226 1 . LEU 42 42 53226 1 . GLN 43 43 53226 1 . ALA 44 44 53226 1 . THR 45 45 53226 1 . VAL 46 46 53226 1 . VAL 47 47 53226 1 . ALA 48 48 53226 1 . VAL 49 49 53226 1 . GLY 50 50 53226 1 . SER 51 51 53226 1 . GLY 52 52 53226 1 . SER 53 53 53226 1 . LYS 54 54 53226 1 . GLY 55 55 53226 1 . LYS 56 56 53226 1 . GLY 57 57 53226 1 . GLY 58 58 53226 1 . GLU 59 59 53226 1 . ILE 60 60 53226 1 . GLN 61 61 53226 1 . PRO 62 62 53226 1 . VAL 63 63 53226 1 . SER 64 64 53226 1 . VAL 65 65 53226 1 . LYS 66 66 53226 1 . VAL 67 67 53226 1 . GLY 68 68 53226 1 . ASP 69 69 53226 1 . LYS 70 70 53226 1 . VAL 71 71 53226 1 . LEU 72 72 53226 1 . LEU 73 73 53226 1 . PRO 74 74 53226 1 . GLU 75 75 53226 1 . TYR 76 76 53226 1 . GLY 77 77 53226 1 . GLY 78 78 53226 1 . THR 79 79 53226 1 . LYS 80 80 53226 1 . VAL 81 81 53226 1 . VAL 82 82 53226 1 . LEU 83 83 53226 1 . ASP 84 84 53226 1 . ASP 85 85 53226 1 . LYS 86 86 53226 1 . ASP 87 87 53226 1 . TYR 88 88 53226 1 . PHE 89 89 53226 1 . LEU 90 90 53226 1 . PHE 91 91 53226 1 . ARG 92 92 53226 1 . ASP 93 93 53226 1 . GLY 94 94 53226 1 . ASP 95 95 53226 1 . ILE 96 96 53226 1 . LEU 97 97 53226 1 . GLY 98 98 53226 1 . LYS 99 99 53226 1 . TYR 100 100 53226 1 . VAL 101 101 53226 1 . ASP 102 102 53226 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 53226 _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 . . . . . . . . . . . . . 53226 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 53226 _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 . . pET-21d . . . 53226 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53226 _Sample.ID 1 _Sample.Name Hsp10 _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 Hsp10 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 900 300 1500 uM . . . . 53226 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53226 1 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 53226 1 4 'sodium azide' 'natural abundance' . . . . . . .03 . . % . . . . 53226 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 53226 _Sample_condition_list.ID 1 _Sample_condition_list.Name Hsp10 _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' 0.071 . M 53226 1 pH 7 . pH 53226 1 pressure 1 . atm 53226 1 temperature 298-303 . K 53226 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53226 _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 . 53226 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53226 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53226 2 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 53226 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'The Bruker Avance NEO 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53226 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'The Bruker Avance NEO 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 53226 _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 TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53226 1 2 '2D 1H-1H NOESY' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53226 1 3 '3D HNCA' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53226 1 4 '3D HN(CO)CA' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53226 1 5 '3D HNCACO' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53226 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 53226 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Hsp10 _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 methanol 'methyl carbons' . . . . ppm 49.15 external direct 1 . . . . . 53226 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 53226 1 N 15 urea nitrogen . . . . ppm 0 external direct 1 . . . . . 53226 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 53226 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Hsp10 _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 2 '2D 1H-1H NOESY' . . . 53226 1 3 '3D HNCA' . . . 53226 1 4 '3D HN(CO)CA' . . . 53226 1 5 '3D HNCACO' . . . 53226 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 . . 53226 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 H H 1 8.219875377 0.01565113 . . . . . . . 2 ALA H . 53226 1 2 . 1 . 1 2 2 ALA C C 13 177.4358788 0.024555443 . . . . . . . 2 ALA C . 53226 1 3 . 1 . 1 2 2 ALA CA C 13 51.79533097 0.139588559 . . . . . . . 2 ALA CA . 53226 1 4 . 1 . 1 2 2 ALA CB C 13 18.8848332 0.106196529 . . . . . . . 2 ALA CB . 53226 1 5 . 1 . 1 2 2 ALA N N 15 125.5709699 0.138556869 . . . . . . . 2 ALA N . 53226 1 6 . 1 . 1 3 3 GLY H H 1 8.008662056 0.004938201 . . . . . . . 3 GLY H . 53226 1 7 . 1 . 1 3 3 GLY C C 13 173.039815 . . . . . . . . 3 GLY C . 53226 1 8 . 1 . 1 3 3 GLY CA C 13 43.96803537 0.220032367 . . . . . . . 3 GLY CA . 53226 1 9 . 1 . 1 3 3 GLY N N 15 108.0289687 0.09662501 . . . . . . . 3 GLY N . 53226 1 10 . 1 . 1 4 4 GLN H H 1 8.586965288 0.014832277 . . . . . . . 4 GLN H . 53226 1 11 . 1 . 1 4 4 GLN C C 13 174.1186922 0.009281899 . . . . . . . 4 GLN C . 53226 1 12 . 1 . 1 4 4 GLN CA C 13 55.29935115 0.082290938 . . . . . . . 4 GLN CA . 53226 1 13 . 1 . 1 4 4 GLN CB C 13 30.52301856 0.000000337 . . . . . . . 4 GLN CB . 53226 1 14 . 1 . 1 4 4 GLN N N 15 120.8054343 0.071940332 . . . . . . . 4 GLN N . 53226 1 15 . 1 . 1 5 5 ALA H H 1 8.346440136 0.006400604 . . . . . . . 5 ALA H . 53226 1 16 . 1 . 1 5 5 ALA HA H 1 8.342567675 0.00384907 . . . . . . . 5 ALA HA . 53226 1 17 . 1 . 1 5 5 ALA CA C 13 51.22951561 0.051775517 . . . . . . . 5 ALA CA . 53226 1 18 . 1 . 1 5 5 ALA CB C 13 19.91321703 0 . . . . . . . 5 ALA CB . 53226 1 19 . 1 . 1 5 5 ALA N N 15 126.3947377 0.134038181 . . . . . . . 5 ALA N . 53226 1 20 . 1 . 1 6 6 PHE H H 1 8.788206448 0.007184247 . . . . . . . 6 PHE H . 53226 1 21 . 1 . 1 6 6 PHE C C 13 177.1948786 . . . . . . . . 6 PHE C . 53226 1 22 . 1 . 1 6 6 PHE CA C 13 56.66481307 0.06473023 . . . . . . . 6 PHE CA . 53226 1 23 . 1 . 1 6 6 PHE CB C 13 42.21778965 0 . . . . . . . 6 PHE CB . 53226 1 24 . 1 . 1 6 6 PHE N N 15 122.26971 0.058094479 . . . . . . . 6 PHE N . 53226 1 25 . 1 . 1 9 9 PHE H H 1 8.132019418 0.016444177 . . . . . . . 9 PHE H . 53226 1 26 . 1 . 1 9 9 PHE C C 13 176.0852458 0.008753976 . . . . . . . 9 PHE C . 53226 1 27 . 1 . 1 9 9 PHE CA C 13 57.29587945 0.097350655 . . . . . . . 9 PHE CA . 53226 1 28 . 1 . 1 9 9 PHE CB C 13 40.9474233 . . . . . . . . 9 PHE CB . 53226 1 29 . 1 . 1 9 9 PHE N N 15 121.2700688 0.11535105 . . . . . . . 9 PHE N . 53226 1 30 . 1 . 1 10 10 LEU H H 1 8.50759757 0.007268136 . . . . . . . 10 LEU H . 53226 1 31 . 1 . 1 10 10 LEU CA C 13 49.44222357 0.089263636 . . . . . . . 10 LEU CA . 53226 1 32 . 1 . 1 10 10 LEU CB C 13 44.34879543 0 . . . . . . . 10 LEU CB . 53226 1 33 . 1 . 1 10 10 LEU N N 15 131.5178541 0.09474644 . . . . . . . 10 LEU N . 53226 1 34 . 1 . 1 12 12 LEU H H 1 7.411338676 0.012575342 . . . . . . . 12 LEU H . 53226 1 35 . 1 . 1 12 12 LEU C C 13 174.822513 . . . . . . . . 12 LEU C . 53226 1 36 . 1 . 1 12 12 LEU CA C 13 52.78953531 0.044785333 . . . . . . . 12 LEU CA . 53226 1 37 . 1 . 1 12 12 LEU CB C 13 42.91273801 0.141038407 . . . . . . . 12 LEU CB . 53226 1 38 . 1 . 1 12 12 LEU N N 15 121.6675322 0.091381166 . . . . . . . 12 LEU N . 53226 1 39 . 1 . 1 13 13 PHE H H 1 8.257882925 0.007819988 . . . . . . . 13 PHE H . 53226 1 40 . 1 . 1 13 13 PHE CA C 13 57.83103813 0.040360011 . . . . . . . 13 PHE CA . 53226 1 41 . 1 . 1 13 13 PHE CB C 13 35.49413517 0.077946899 . . . . . . . 13 PHE CB . 53226 1 42 . 1 . 1 13 13 PHE N N 15 116.4058524 0.113170226 . . . . . . . 13 PHE N . 53226 1 43 . 1 . 1 14 14 ASP H H 1 9.109314925 0.01191498 . . . . . . . 14 ASP H . 53226 1 44 . 1 . 1 14 14 ASP C C 13 175.0407686 . . . . . . . . 14 ASP C . 53226 1 45 . 1 . 1 14 14 ASP CA C 13 52.10903818 0.148455204 . . . . . . . 14 ASP CA . 53226 1 46 . 1 . 1 14 14 ASP CB C 13 38.1116112 0 . . . . . . . 14 ASP CB . 53226 1 47 . 1 . 1 14 14 ASP N N 15 122.146 1.215419914 . . . . . . . 14 ASP N . 53226 1 48 . 1 . 1 15 15 ARG H H 1 7.356131892 0.015459478 . . . . . . . 15 ARG H . 53226 1 49 . 1 . 1 15 15 ARG C C 13 175.0295284 . . . . . . . . 15 ARG C . 53226 1 50 . 1 . 1 15 15 ARG CA C 13 55.97763743 0.086493683 . . . . . . . 15 ARG CA . 53226 1 51 . 1 . 1 15 15 ARG CB C 13 31.7095225 0.020608415 . . . . . . . 15 ARG CB . 53226 1 52 . 1 . 1 15 15 ARG N N 15 117.898 0.848463198 . . . . . . . 15 ARG N . 53226 1 53 . 1 . 1 16 16 VAL H H 1 8.975303445 0.003948997 . . . . . . . 16 VAL H . 53226 1 54 . 1 . 1 16 16 VAL CA C 13 60.10409676 0.172368306 . . . . . . . 16 VAL CA . 53226 1 55 . 1 . 1 16 16 VAL CB C 13 34.83923255 0 . . . . . . . 16 VAL CB . 53226 1 56 . 1 . 1 16 16 VAL N N 15 116.6317265 0.082879573 . . . . . . . 16 VAL N . 53226 1 57 . 1 . 1 17 17 LEU H H 1 8.867873744 0.008459501 . . . . . . . 17 LEU H . 53226 1 58 . 1 . 1 17 17 LEU C C 13 173.1881531 . . . . . . . . 17 LEU C . 53226 1 59 . 1 . 1 17 17 LEU CA C 13 52.57198131 0.166403907 . . . . . . . 17 LEU CA . 53226 1 60 . 1 . 1 17 17 LEU CB C 13 45.48991522 0 . . . . . . . 17 LEU CB . 53226 1 61 . 1 . 1 17 17 LEU N N 15 128.5290138 0.187544582 . . . . . . . 17 LEU N . 53226 1 62 . 1 . 1 18 18 VAL H H 1 9.825665194 0.00615433 . . . . . . . 18 VAL H . 53226 1 63 . 1 . 1 18 18 VAL C C 13 174.944 1.64979638 . . . . . . . 18 VAL C . 53226 1 64 . 1 . 1 18 18 VAL CA C 13 57.96239246 0.233373946 . . . . . . . 18 VAL CA . 53226 1 65 . 1 . 1 18 18 VAL CB C 13 34.0040845 0 . . . . . . . 18 VAL CB . 53226 1 66 . 1 . 1 18 18 VAL N N 15 120.828 0.061 . . . . . . . 18 VAL N . 53226 1 67 . 1 . 1 19 19 GLU H H 1 9.175024844 0.00544778 . . . . . . . 19 GLU H . 53226 1 68 . 1 . 1 19 19 GLU CA C 13 53.78671442 0.041085613 . . . . . . . 19 GLU CA . 53226 1 69 . 1 . 1 19 19 GLU CB C 13 32.408 0 . . . . . . . 19 GLU CB . 53226 1 70 . 1 . 1 19 19 GLU N N 15 122.2736999 0.113134329 . . . . . . . 19 GLU N . 53226 1 71 . 1 . 1 20 20 ARG H H 1 9.58125309 0.005107678 . . . . . . . 20 ARG H . 53226 1 72 . 1 . 1 20 20 ARG C C 13 176.1317196 0.000705472 . . . . . . . 20 ARG C . 53226 1 73 . 1 . 1 20 20 ARG CA C 13 56.886 1.856482946 . . . . . . . 20 ARG CA . 53226 1 74 . 1 . 1 20 20 ARG CB C 13 30.10691636 0.040873431 . . . . . . . 20 ARG CB . 53226 1 75 . 1 . 1 20 20 ARG N N 15 128.8829773 0.144946384 . . . . . . . 20 ARG N . 53226 1 76 . 1 . 1 21 21 SER H H 1 8.482157889 0.007629646 . . . . . . . 21 SER H . 53226 1 77 . 1 . 1 21 21 SER C C 13 173.9046435 0.02136966 . . . . . . . 21 SER C . 53226 1 78 . 1 . 1 21 21 SER CA C 13 58.29275387 0.03350667 . . . . . . . 21 SER CA . 53226 1 79 . 1 . 1 21 21 SER CB C 13 62.92405197 0.10914953 . . . . . . . 21 SER CB . 53226 1 80 . 1 . 1 21 21 SER N N 15 119.6823746 0.119092116 . . . . . . . 21 SER N . 53226 1 81 . 1 . 1 22 22 ALA H H 1 8.389876892 0.004076527 . . . . . . . 22 ALA H . 53226 1 82 . 1 . 1 22 22 ALA C C 13 177.3500008 0.020801172 . . . . . . . 22 ALA C . 53226 1 83 . 1 . 1 22 22 ALA CA C 13 51.81943159 0.098442172 . . . . . . . 22 ALA CA . 53226 1 84 . 1 . 1 22 22 ALA CB C 13 18.71821843 0 . . . . . . . 22 ALA CB . 53226 1 85 . 1 . 1 22 22 ALA N N 15 127.1060671 0.190086851 . . . . . . . 22 ALA N . 53226 1 86 . 1 . 1 23 23 ALA H H 1 8.254159984 0.009132249 . . . . . . . 23 ALA H . 53226 1 87 . 1 . 1 23 23 ALA C C 13 177.7903523 0.007492729 . . . . . . . 23 ALA C . 53226 1 88 . 1 . 1 23 23 ALA CA C 13 51.85338671 0.120240222 . . . . . . . 23 ALA CA . 53226 1 89 . 1 . 1 23 23 ALA CB C 13 18.641 0 . . . . . . . 23 ALA CB . 53226 1 90 . 1 . 1 23 23 ALA N N 15 124.1763412 0.109924227 . . . . . . . 23 ALA N . 53226 1 91 . 1 . 1 24 24 GLU H H 1 8.364501277 0.004745476 . . . . . . . 24 GLU H . 53226 1 92 . 1 . 1 24 24 GLU C C 13 176.644364 0.000606339 . . . . . . . 24 GLU C . 53226 1 93 . 1 . 1 24 24 GLU CA C 13 56.06962764 0.143215246 . . . . . . . 24 GLU CA . 53226 1 94 . 1 . 1 24 24 GLU CB C 13 29.51743751 0.04012841 . . . . . . . 24 GLU CB . 53226 1 95 . 1 . 1 24 24 GLU N N 15 120.7803437 0.178474525 . . . . . . . 24 GLU N . 53226 1 96 . 1 . 1 25 25 THR H H 1 8.194525292 0.003702891 . . . . . . . 25 THR H . 53226 1 97 . 1 . 1 25 25 THR C C 13 174.4153851 0.010745487 . . . . . . . 25 THR C . 53226 1 98 . 1 . 1 25 25 THR CA C 13 61.53522555 0.403816547 . . . . . . . 25 THR CA . 53226 1 99 . 1 . 1 25 25 THR CB C 13 69.279 0 . . . . . . . 25 THR CB . 53226 1 100 . 1 . 1 25 25 THR N N 15 116.3994759 0.111601528 . . . . . . . 25 THR N . 53226 1 101 . 1 . 1 26 26 VAL H H 1 8.133804143 0.01558253 . . . . . . . 26 VAL H . 53226 1 102 . 1 . 1 26 26 VAL C C 13 176.1584474 0.008193796 . . . . . . . 26 VAL C . 53226 1 103 . 1 . 1 26 26 VAL CA C 13 61.67850528 0.125655298 . . . . . . . 26 VAL CA . 53226 1 104 . 1 . 1 26 26 VAL CB C 13 31.98719226 0.033261855 . . . . . . . 26 VAL CB . 53226 1 105 . 1 . 1 26 26 VAL N N 15 123.4231994 0.117908187 . . . . . . . 26 VAL N . 53226 1 106 . 1 . 1 27 27 THR H H 1 8.217026921 0.009636837 . . . . . . . 27 THR H . 53226 1 107 . 1 . 1 27 27 THR C C 13 174.6755907 0.004722853 . . . . . . . 27 THR C . 53226 1 108 . 1 . 1 27 27 THR CA C 13 61.1980001 0.131745859 . . . . . . . 27 THR CA . 53226 1 109 . 1 . 1 27 27 THR CB C 13 69.425 0 . . . . . . . 27 THR CB . 53226 1 110 . 1 . 1 27 27 THR N N 15 118.7475844 0.123318433 . . . . . . . 27 THR N . 53226 1 111 . 1 . 1 29 29 GLY H H 1 8.348522049 0.210497414 . . . . . . . 29 GLY H . 53226 1 112 . 1 . 1 29 29 GLY CA C 13 44.83563036 0.126513932 . . . . . . . 29 GLY CA . 53226 1 113 . 1 . 1 29 29 GLY N N 15 110.3700222 1.084898362 . . . . . . . 29 GLY N . 53226 1 114 . 1 . 1 30 30 GLY H H 1 8.167281844 0.009853833 . . . . . . . 30 GLY H . 53226 1 115 . 1 . 1 30 30 GLY C C 13 173.8239947 . . . . . . . . 30 GLY C . 53226 1 116 . 1 . 1 30 30 GLY CA C 13 44.71458279 0.181325125 . . . . . . . 30 GLY CA . 53226 1 117 . 1 . 1 30 30 GLY N N 15 109.0243724 0.124915446 . . . . . . . 30 GLY N . 53226 1 118 . 1 . 1 31 31 ILE H H 1 7.801264488 0.009237735 . . . . . . . 31 ILE H . 53226 1 119 . 1 . 1 31 31 ILE C C 13 174.8631767 1.042386097 . . . . . . . 31 ILE C . 53226 1 120 . 1 . 1 31 31 ILE CA C 13 60.35070278 0.229115992 . . . . . . . 31 ILE CA . 53226 1 121 . 1 . 1 31 31 ILE CB C 13 37.98601953 0.08668514 . . . . . . . 31 ILE CB . 53226 1 122 . 1 . 1 31 31 ILE N N 15 120.416064 0.092874014 . . . . . . . 31 ILE N . 53226 1 123 . 1 . 1 32 32 MET H H 1 8.383631307 0.005703432 . . . . . . . 32 MET H . 53226 1 124 . 1 . 1 32 32 MET C C 13 175.6233502 . . . . . . . . 32 MET C . 53226 1 125 . 1 . 1 32 32 MET CA C 13 54.6679001 0.099083203 . . . . . . . 32 MET CA . 53226 1 126 . 1 . 1 32 32 MET CB C 13 31.94718446 0.000000337 . . . . . . . 32 MET CB . 53226 1 127 . 1 . 1 32 32 MET N N 15 125.2815265 0.155991867 . . . . . . . 32 MET N . 53226 1 128 . 1 . 1 33 33 LEU H H 1 8.236693445 0.010824497 . . . . . . . 33 LEU H . 53226 1 129 . 1 . 1 33 33 LEU C C 13 175.6175209 0.010461167 . . . . . . . 33 LEU C . 53226 1 130 . 1 . 1 33 33 LEU CA C 13 52.45854641 0.086568626 . . . . . . . 33 LEU CA . 53226 1 131 . 1 . 1 33 33 LEU CB C 13 40.85066645 0.233633634 . . . . . . . 33 LEU CB . 53226 1 132 . 1 . 1 33 33 LEU N N 15 126.1393993 0.292324608 . . . . . . . 33 LEU N . 53226 1 133 . 1 . 1 35 35 GLU H H 1 8.495279938 0.005539825 . . . . . . . 35 GLU H . 53226 1 134 . 1 . 1 35 35 GLU C C 13 176.9171925 0.002162366 . . . . . . . 35 GLU C . 53226 1 135 . 1 . 1 35 35 GLU CA C 13 56.6181894 0.048842756 . . . . . . . 35 GLU CA . 53226 1 136 . 1 . 1 35 35 GLU CB C 13 29.32356402 0.04878493 . . . . . . . 35 GLU CB . 53226 1 137 . 1 . 1 35 35 GLU N N 15 121.3689015 0.161896155 . . . . . . . 35 GLU N . 53226 1 138 . 1 . 1 36 36 LYS H H 1 8.254211318 0.00883911 . . . . . . . 36 LYS H . 53226 1 139 . 1 . 1 36 36 LYS C C 13 176.7929056 . . . . . . . . 36 LYS C . 53226 1 140 . 1 . 1 36 36 LYS CA C 13 56.06542791 0.174241536 . . . . . . . 36 LYS CA . 53226 1 141 . 1 . 1 36 36 LYS CB C 13 31.74330731 0.010313563 . . . . . . . 36 LYS CB . 53226 1 142 . 1 . 1 36 36 LYS N N 15 122.0185308 0.098027219 . . . . . . . 36 LYS N . 53226 1 143 . 1 . 1 37 37 SER H H 1 8.175625131 0.0127024 . . . . . . . 37 SER H . 53226 1 144 . 1 . 1 37 37 SER C C 13 174.7427445 . . . . . . . . 37 SER C . 53226 1 145 . 1 . 1 37 37 SER CA C 13 58.17522202 0.124194731 . . . . . . . 37 SER CA . 53226 1 146 . 1 . 1 37 37 SER CB C 13 63.05026253 0 . . . . . . . 37 SER CB . 53226 1 147 . 1 . 1 37 37 SER N N 15 116.5839234 0.203538321 . . . . . . . 37 SER N . 53226 1 148 . 1 . 1 38 38 GLN H H 1 8.315891473 0.006339001 . . . . . . . 38 GLN H . 53226 1 149 . 1 . 1 38 38 GLN C C 13 176.5078341 0.009950968 . . . . . . . 38 GLN C . 53226 1 150 . 1 . 1 38 38 GLN CA C 13 55.7436805 0.111213359 . . . . . . . 38 GLN CA . 53226 1 151 . 1 . 1 38 38 GLN CB C 13 28.59022422 0 . . . . . . . 38 GLN CB . 53226 1 152 . 1 . 1 38 38 GLN N N 15 122.5414422 0.093513646 . . . . . . . 38 GLN N . 53226 1 153 . 1 . 1 39 39 GLY H H 1 8.399114401 0.004166859 . . . . . . . 39 GLY H . 53226 1 154 . 1 . 1 39 39 GLY C C 13 174.0255284 0.016720885 . . . . . . . 39 GLY C . 53226 1 155 . 1 . 1 39 39 GLY CA C 13 45.04737752 0.322688971 . . . . . . . 39 GLY CA . 53226 1 156 . 1 . 1 39 39 GLY N N 15 110.0106539 0.13433787 . . . . . . . 39 GLY N . 53226 1 157 . 1 . 1 40 40 LYS H H 1 8.144902409 0.007308754 . . . . . . . 40 LYS H . 53226 1 158 . 1 . 1 40 40 LYS C C 13 176.4190888 0.00760319 . . . . . . . 40 LYS C . 53226 1 159 . 1 . 1 40 40 LYS CA C 13 55.65999192 0.119891206 . . . . . . . 40 LYS CA . 53226 1 160 . 1 . 1 40 40 LYS CB C 13 32.29032872 0.044779175 . . . . . . . 40 LYS CB . 53226 1 161 . 1 . 1 40 40 LYS N N 15 121.116 0.004 . . . . . . . 40 LYS N . 53226 1 162 . 1 . 1 41 41 VAL H H 1 7.907067151 0.012980233 . . . . . . . 41 VAL H . 53226 1 163 . 1 . 1 41 41 VAL C C 13 175.23381 0.02204625 . . . . . . . 41 VAL C . 53226 1 164 . 1 . 1 41 41 VAL CA C 13 60.72554909 0.085341909 . . . . . . . 41 VAL CA . 53226 1 165 . 1 . 1 41 41 VAL CB C 13 32.73392924 0.020691878 . . . . . . . 41 VAL CB . 53226 1 166 . 1 . 1 41 41 VAL N N 15 118.6011847 0.095118191 . . . . . . . 41 VAL N . 53226 1 167 . 1 . 1 42 42 LEU H H 1 8.706158258 0.0135251 . . . . . . . 42 LEU H . 53226 1 168 . 1 . 1 42 42 LEU C C 13 175.1933486 . . . . . . . . 42 LEU C . 53226 1 169 . 1 . 1 42 42 LEU CA C 13 53.71887713 0.079299826 . . . . . . . 42 LEU CA . 53226 1 170 . 1 . 1 42 42 LEU CB C 13 42.6928259 0 . . . . . . . 42 LEU CB . 53226 1 171 . 1 . 1 42 42 LEU N N 15 124.1910524 0.095200939 . . . . . . . 42 LEU N . 53226 1 172 . 1 . 1 43 43 GLN H H 1 7.978248555 0.021606132 . . . . . . . 43 GLN H . 53226 1 173 . 1 . 1 43 43 GLN C C 13 175.422197 0.013215189 . . . . . . . 43 GLN C . 53226 1 174 . 1 . 1 43 43 GLN CA C 13 54.72158015 0.14057899 . . . . . . . 43 GLN CA . 53226 1 175 . 1 . 1 43 43 GLN CB C 13 29.11003951 0.056685806 . . . . . . . 43 GLN CB . 53226 1 176 . 1 . 1 43 43 GLN N N 15 121.3143733 0.221014284 . . . . . . . 43 GLN N . 53226 1 177 . 1 . 1 44 44 ALA H H 1 8.794931754 0.009050308 . . . . . . . 44 ALA H . 53226 1 178 . 1 . 1 44 44 ALA CA C 13 50.53676461 0.155500638 . . . . . . . 44 ALA CA . 53226 1 179 . 1 . 1 44 44 ALA CB C 13 23.4254098 0 . . . . . . . 44 ALA CB . 53226 1 180 . 1 . 1 44 44 ALA N N 15 125.4056065 0.097497396 . . . . . . . 44 ALA N . 53226 1 181 . 1 . 1 45 45 THR H H 1 8.651448616 0.015029339 . . . . . . . 45 THR H . 53226 1 182 . 1 . 1 45 45 THR C C 13 174.7454914 . . . . . . . . 45 THR C . 53226 1 183 . 1 . 1 45 45 THR CA C 13 60.78915493 0.08226339 . . . . . . . 45 THR CA . 53226 1 184 . 1 . 1 45 45 THR CB C 13 69.99639169 0 . . . . . . . 45 THR CB . 53226 1 185 . 1 . 1 45 45 THR N N 15 116.163 0.0445 . . . . . . . 45 THR N . 53226 1 186 . 1 . 1 46 46 VAL H H 1 9.207651197 0.010828567 . . . . . . . 46 VAL H . 53226 1 187 . 1 . 1 46 46 VAL C C 13 174.7340573 . . . . . . . . 46 VAL C . 53226 1 188 . 1 . 1 46 46 VAL CA C 13 63.62780957 0.104633197 . . . . . . . 46 VAL CA . 53226 1 189 . 1 . 1 46 46 VAL CB C 13 30.77870987 0 . . . . . . . 46 VAL CB . 53226 1 190 . 1 . 1 46 46 VAL N N 15 127.5053889 0.083706194 . . . . . . . 46 VAL N . 53226 1 191 . 1 . 1 49 49 VAL H H 1 8.386099383 0.010339612 . . . . . . . 49 VAL H . 53226 1 192 . 1 . 1 49 49 VAL C C 13 174.3321563 . . . . . . . . 49 VAL C . 53226 1 193 . 1 . 1 49 49 VAL CA C 13 59.16465203 0.162642279 . . . . . . . 49 VAL CA . 53226 1 194 . 1 . 1 49 49 VAL CB C 13 35.79371843 0 . . . . . . . 49 VAL CB . 53226 1 195 . 1 . 1 49 49 VAL N N 15 112.6406256 0.104165979 . . . . . . . 49 VAL N . 53226 1 196 . 1 . 1 50 50 GLY H H 1 8.201234231 0.007102167 . . . . . . . 50 GLY H . 53226 1 197 . 1 . 1 50 50 GLY C C 13 173.5308004 . . . . . . . . 50 GLY C . 53226 1 198 . 1 . 1 50 50 GLY CA C 13 43.74059615 0.217769464 . . . . . . . 50 GLY CA . 53226 1 199 . 1 . 1 50 50 GLY N N 15 108.6264623 0.106119827 . . . . . . . 50 GLY N . 53226 1 200 . 1 . 1 51 51 SER H H 1 7.954160154 0.010429959 . . . . . . . 51 SER H . 53226 1 201 . 1 . 1 51 51 SER C C 13 174.7779852 . . . . . . . . 51 SER C . 53226 1 202 . 1 . 1 51 51 SER CA C 13 58.98954299 0.104873957 . . . . . . . 51 SER CA . 53226 1 203 . 1 . 1 51 51 SER CB C 13 63.40992822 0.066851689 . . . . . . . 51 SER CB . 53226 1 204 . 1 . 1 51 51 SER N N 15 111.8661587 0.103707998 . . . . . . . 51 SER N . 53226 1 205 . 1 . 1 52 52 GLY H H 1 7.919168735 0.006756254 . . . . . . . 52 GLY H . 53226 1 206 . 1 . 1 52 52 GLY C C 13 173.6975646 . . . . . . . . 52 GLY C . 53226 1 207 . 1 . 1 52 52 GLY CA C 13 43.68606618 0.103703759 . . . . . . . 52 GLY CA . 53226 1 208 . 1 . 1 52 52 GLY N N 15 108.8796028 0.043548492 . . . . . . . 52 GLY N . 53226 1 209 . 1 . 1 53 53 SER H H 1 8.224894904 0.011615103 . . . . . . . 53 SER H . 53226 1 210 . 1 . 1 53 53 SER C C 13 173.5237719 . . . . . . . . 53 SER C . 53226 1 211 . 1 . 1 53 53 SER CA C 13 56.65995661 0.2837372 . . . . . . . 53 SER CA . 53226 1 212 . 1 . 1 53 53 SER CB C 13 64.4647969 0.074778863 . . . . . . . 53 SER CB . 53226 1 213 . 1 . 1 53 53 SER N N 15 114.6550396 0.106486087 . . . . . . . 53 SER N . 53226 1 214 . 1 . 1 54 54 LYS H H 1 8.496336469 0.006378646 . . . . . . . 54 LYS H . 53226 1 215 . 1 . 1 54 54 LYS C C 13 176.9174942 . . . . . . . . 54 LYS C . 53226 1 216 . 1 . 1 54 54 LYS CA C 13 55.79814692 0.064213506 . . . . . . . 54 LYS CA . 53226 1 217 . 1 . 1 54 54 LYS CB C 13 32.62373834 0.016923908 . . . . . . . 54 LYS CB . 53226 1 218 . 1 . 1 54 54 LYS N N 15 122.8239738 0.094938552 . . . . . . . 54 LYS N . 53226 1 219 . 1 . 1 55 55 GLY H H 1 8.630821976 0.00997156 . . . . . . . 55 GLY H . 53226 1 220 . 1 . 1 55 55 GLY C C 13 177.7718205 . . . . . . . . 55 GLY C . 53226 1 221 . 1 . 1 55 55 GLY CA C 13 43.54963935 0.289294781 . . . . . . . 55 GLY CA . 53226 1 222 . 1 . 1 55 55 GLY N N 15 112.9093538 0.107873411 . . . . . . . 55 GLY N . 53226 1 223 . 1 . 1 56 56 LYS H H 1 8.60485185 0.009097526 . . . . . . . 56 LYS H . 53226 1 224 . 1 . 1 56 56 LYS C C 13 177.7718205 . . . . . . . . 56 LYS C . 53226 1 225 . 1 . 1 56 56 LYS CA C 13 57.42954095 0.140657678 . . . . . . . 56 LYS CA . 53226 1 226 . 1 . 1 56 56 LYS CB C 13 31.4264537 0.000000337 . . . . . . . 56 LYS CB . 53226 1 227 . 1 . 1 56 56 LYS N N 15 123.4469068 0.064698033 . . . . . . . 56 LYS N . 53226 1 228 . 1 . 1 57 57 GLY H H 1 8.896075904 0.006805212 . . . . . . . 57 GLY H . 53226 1 229 . 1 . 1 57 57 GLY C C 13 175.0421678 . . . . . . . . 57 GLY C . 53226 1 230 . 1 . 1 57 57 GLY CA C 13 45.06255535 0.165329178 . . . . . . . 57 GLY CA . 53226 1 231 . 1 . 1 57 57 GLY N N 15 111.3866321 0.124977028 . . . . . . . 57 GLY N . 53226 1 232 . 1 . 1 58 58 GLY H H 1 8.058673446 0.016974395 . . . . . . . 58 GLY H . 53226 1 233 . 1 . 1 58 58 GLY C C 13 173.6914602 . . . . . . . . 58 GLY C . 53226 1 234 . 1 . 1 58 58 GLY CA C 13 44.59260614 0.163583856 . . . . . . . 58 GLY CA . 53226 1 235 . 1 . 1 58 58 GLY N N 15 108.5632774 0.112797013 . . . . . . . 58 GLY N . 53226 1 236 . 1 . 1 59 59 GLU H H 1 8.170852084 0.012250383 . . . . . . . 59 GLU H . 53226 1 237 . 1 . 1 59 59 GLU C C 13 176.1256476 0.002282958 . . . . . . . 59 GLU C . 53226 1 238 . 1 . 1 59 59 GLU CA C 13 55.62326375 0.139132568 . . . . . . . 59 GLU CA . 53226 1 239 . 1 . 1 59 59 GLU CB C 13 28.99275282 0.069928747 . . . . . . . 59 GLU CB . 53226 1 240 . 1 . 1 59 59 GLU N N 15 121.8853356 0.123153783 . . . . . . . 59 GLU N . 53226 1 241 . 1 . 1 60 60 ILE H H 1 8.49594559 0.005806937 . . . . . . . 60 ILE H . 53226 1 242 . 1 . 1 60 60 ILE C C 13 176.1224195 . . . . . . . . 60 ILE C . 53226 1 243 . 1 . 1 60 60 ILE CA C 13 60.03520997 0.347962299 . . . . . . . 60 ILE CA . 53226 1 244 . 1 . 1 60 60 ILE CB C 13 37.4455511 0.085301547 . . . . . . . 60 ILE CB . 53226 1 245 . 1 . 1 60 60 ILE N N 15 125.3078861 0.193385624 . . . . . . . 60 ILE N . 53226 1 246 . 1 . 1 61 61 GLN H H 1 8.680309063 0.008530977 . . . . . . . 61 GLN H . 53226 1 247 . 1 . 1 61 61 GLN C C 13 173.1997638 . . . . . . . . 61 GLN C . 53226 1 248 . 1 . 1 61 61 GLN CA C 13 51.60042985 0.081500409 . . . . . . . 61 GLN CA . 53226 1 249 . 1 . 1 61 61 GLN CB C 13 28.3140585 0.041318545 . . . . . . . 61 GLN CB . 53226 1 250 . 1 . 1 61 61 GLN N N 15 129.3044254 0.152835381 . . . . . . . 61 GLN N . 53226 1 251 . 1 . 1 63 63 VAL H H 1 8.146776379 0.004695032 . . . . . . . 63 VAL H . 53226 1 252 . 1 . 1 63 63 VAL C C 13 177.0461779 . . . . . . . . 63 VAL C . 53226 1 253 . 1 . 1 63 63 VAL CA C 13 62.33816002 0.144803871 . . . . . . . 63 VAL CA . 53226 1 254 . 1 . 1 63 63 VAL CB C 13 30.88135792 0.039941176 . . . . . . . 63 VAL CB . 53226 1 255 . 1 . 1 63 63 VAL N N 15 117.4832983 0.090317237 . . . . . . . 63 VAL N . 53226 1 256 . 1 . 1 64 64 SER H H 1 10.1513857 0.007298986 . . . . . . . 64 SER H . 53226 1 257 . 1 . 1 64 64 SER C C 13 174.1110771 . . . . . . . . 64 SER C . 53226 1 258 . 1 . 1 64 64 SER CA C 13 60.81514762 0.062486452 . . . . . . . 64 SER CA . 53226 1 259 . 1 . 1 64 64 SER CB C 13 63.11493396 0 . . . . . . . 64 SER CB . 53226 1 260 . 1 . 1 64 64 SER N N 15 120.6757175 0.000916565 . . . . . . . 64 SER N . 53226 1 261 . 1 . 1 65 65 VAL H H 1 6.893531908 0.012774611 . . . . . . . 65 VAL H . 53226 1 262 . 1 . 1 65 65 VAL C C 13 174.1002171 . . . . . . . . 65 VAL C . 53226 1 263 . 1 . 1 65 65 VAL CA C 13 58.35335259 0.3673165 . . . . . . . 65 VAL CA . 53226 1 264 . 1 . 1 65 65 VAL CB C 13 33.96460386 0.01018543 . . . . . . . 65 VAL CB . 53226 1 265 . 1 . 1 65 65 VAL N N 15 111.901 0.079 . . . . . . . 65 VAL N . 53226 1 266 . 1 . 1 66 66 LYS H H 1 8.761613594 0.00829177 . . . . . . . 66 LYS H . 53226 1 267 . 1 . 1 66 66 LYS C C 13 176.0776708 . . . . . . . . 66 LYS C . 53226 1 268 . 1 . 1 66 66 LYS CA C 13 52.8454865 0.426195018 . . . . . . . 66 LYS CA . 53226 1 269 . 1 . 1 66 66 LYS CB C 13 34.86490701 0 . . . . . . . 66 LYS CB . 53226 1 270 . 1 . 1 66 66 LYS N N 15 119.2755845 0.092978913 . . . . . . . 66 LYS N . 53226 1 271 . 1 . 1 67 67 VAL H H 1 8.340186906 0.008685142 . . . . . . . 67 VAL H . 53226 1 272 . 1 . 1 67 67 VAL C C 13 177.2941015 . . . . . . . . 67 VAL C . 53226 1 273 . 1 . 1 67 67 VAL CA C 13 65.39979802 0.116639151 . . . . . . . 67 VAL CA . 53226 1 274 . 1 . 1 67 67 VAL CB C 13 30.06570721 . . . . . . . . 67 VAL CB . 53226 1 275 . 1 . 1 67 67 VAL N N 15 120.4095375 0.111864259 . . . . . . . 67 VAL N . 53226 1 276 . 1 . 1 68 68 GLY H H 1 8.897297938 0.008872595 . . . . . . . 68 GLY H . 53226 1 277 . 1 . 1 68 68 GLY C C 13 177.2875318 . . . . . . . . 68 GLY C . 53226 1 278 . 1 . 1 68 68 GLY CA C 13 44.06401946 0.012647956 . . . . . . . 68 GLY CA . 53226 1 279 . 1 . 1 68 68 GLY N N 15 117.4501283 0.098702344 . . . . . . . 68 GLY N . 53226 1 280 . 1 . 1 69 69 ASP H H 1 8.156016384 0.009663608 . . . . . . . 69 ASP H . 53226 1 281 . 1 . 1 69 69 ASP C C 13 174.9425671 0.033830391 . . . . . . . 69 ASP C . 53226 1 282 . 1 . 1 69 69 ASP CA C 13 55.07522651 0.119771562 . . . . . . . 69 ASP CA . 53226 1 283 . 1 . 1 69 69 ASP N N 15 122.316 0.01 . . . . . . . 69 ASP N . 53226 1 284 . 1 . 1 70 70 LYS H H 1 9.220062518 0.007782623 . . . . . . . 70 LYS H . 53226 1 285 . 1 . 1 70 70 LYS C C 13 174.9611837 . . . . . . . . 70 LYS C . 53226 1 286 . 1 . 1 70 70 LYS CA C 13 54.91486115 0.139345376 . . . . . . . 70 LYS CA . 53226 1 287 . 1 . 1 70 70 LYS CB C 13 32.1465817 0 . . . . . . . 70 LYS CB . 53226 1 288 . 1 . 1 70 70 LYS N N 15 124.4019253 0.106442334 . . . . . . . 70 LYS N . 53226 1 289 . 1 . 1 71 71 VAL H H 1 9.23038532 0.004801322 . . . . . . . 71 VAL H . 53226 1 290 . 1 . 1 71 71 VAL CA C 13 57.90836441 0.09947349 . . . . . . . 71 VAL CA . 53226 1 291 . 1 . 1 71 71 VAL CB C 13 35.18437787 0 . . . . . . . 71 VAL CB . 53226 1 292 . 1 . 1 71 71 VAL N N 15 115.541493 0.088641061 . . . . . . . 71 VAL N . 53226 1 293 . 1 . 1 72 72 LEU H H 1 7.86048279 0.01538933 . . . . . . . 72 LEU H . 53226 1 294 . 1 . 1 72 72 LEU CA C 13 52.86103826 0.11177296 . . . . . . . 72 LEU CA . 53226 1 295 . 1 . 1 72 72 LEU CB C 13 43.99148516 0.073331033 . . . . . . . 72 LEU CB . 53226 1 296 . 1 . 1 72 72 LEU N N 15 120.8050752 0.08242185 . . . . . . . 72 LEU N . 53226 1 297 . 1 . 1 73 73 LEU H H 1 8.698988908 0.006252437 . . . . . . . 73 LEU H . 53226 1 298 . 1 . 1 73 73 LEU CA C 13 51.28983487 0.0762857 . . . . . . . 73 LEU CA . 53226 1 299 . 1 . 1 73 73 LEU CB C 13 42.48120812 0 . . . . . . . 73 LEU CB . 53226 1 300 . 1 . 1 73 73 LEU N N 15 126.6012799 0.093879273 . . . . . . . 73 LEU N . 53226 1 301 . 1 . 1 75 75 GLU H H 1 8.157423111 0.011375723 . . . . . . . 75 GLU H . 53226 1 302 . 1 . 1 75 75 GLU C C 13 176.2916097 0.021430837 . . . . . . . 75 GLU C . 53226 1 303 . 1 . 1 75 75 GLU CA C 13 57.5937744 0.095874368 . . . . . . . 75 GLU CA . 53226 1 304 . 1 . 1 75 75 GLU CB C 13 29.23261612 0.131188623 . . . . . . . 75 GLU CB . 53226 1 305 . 1 . 1 75 75 GLU N N 15 118.8156831 0.107822109 . . . . . . . 75 GLU N . 53226 1 306 . 1 . 1 76 76 TYR H H 1 7.66956275 0.00554151 . . . . . . . 76 TYR H . 53226 1 307 . 1 . 1 76 76 TYR C C 13 176.2622573 . . . . . . . . 76 TYR C . 53226 1 308 . 1 . 1 76 76 TYR CA C 13 56.39662994 0.151118672 . . . . . . . 76 TYR CA . 53226 1 309 . 1 . 1 76 76 TYR CB C 13 38.89567954 0.113937773 . . . . . . . 76 TYR CB . 53226 1 310 . 1 . 1 76 76 TYR N N 15 116.7609352 0.771256799 . . . . . . . 76 TYR N . 53226 1 311 . 1 . 1 77 77 GLY H H 1 8.119558704 0.002961977 . . . . . . . 77 GLY H . 53226 1 312 . 1 . 1 77 77 GLY C C 13 174.2784008 . . . . . . . . 77 GLY C . 53226 1 313 . 1 . 1 77 77 GLY CA C 13 44.28618445 0.157140458 . . . . . . . 77 GLY CA . 53226 1 314 . 1 . 1 77 77 GLY N N 15 108.5104938 0.118406389 . . . . . . . 77 GLY N . 53226 1 315 . 1 . 1 78 78 GLY H H 1 8.05695487 0.007929738 . . . . . . . 78 GLY H . 53226 1 316 . 1 . 1 78 78 GLY C C 13 173.9538088 . . . . . . . . 78 GLY C . 53226 1 317 . 1 . 1 78 78 GLY CA C 13 43.4565425 0.201706363 . . . . . . . 78 GLY CA . 53226 1 318 . 1 . 1 78 78 GLY N N 15 110.6783882 0.117251717 . . . . . . . 78 GLY N . 53226 1 319 . 1 . 1 79 79 THR H H 1 8.265510297 0.009288183 . . . . . . . 79 THR H . 53226 1 320 . 1 . 1 79 79 THR C C 13 174.7345886 0 . . . . . . . 79 THR C . 53226 1 321 . 1 . 1 79 79 THR CA C 13 61.65163534 0.140661727 . . . . . . . 79 THR CA . 53226 1 322 . 1 . 1 79 79 THR CB C 13 70.77188502 0.186589234 . . . . . . . 79 THR CB . 53226 1 323 . 1 . 1 79 79 THR N N 15 119.637241 0.12007601 . . . . . . . 79 THR N . 53226 1 324 . 1 . 1 80 80 LYS H H 1 8.801018961 0.003890561 . . . . . . . 80 LYS H . 53226 1 325 . 1 . 1 80 80 LYS C C 13 173.2797805 . . . . . . . . 80 LYS C . 53226 1 326 . 1 . 1 80 80 LYS CA C 13 56.5349523 0.099978613 . . . . . . . 80 LYS CA . 53226 1 327 . 1 . 1 80 80 LYS CB C 13 31.17470016 0.014606571 . . . . . . . 80 LYS CB . 53226 1 328 . 1 . 1 80 80 LYS N N 15 131.3742057 0.099004693 . . . . . . . 80 LYS N . 53226 1 329 . 1 . 1 81 81 VAL H H 1 8.577397249 0.007828781 . . . . . . . 81 VAL H . 53226 1 330 . 1 . 1 81 81 VAL C C 13 173.2652248 . . . . . . . . 81 VAL C . 53226 1 331 . 1 . 1 81 81 VAL CA C 13 60.40629508 0.135967211 . . . . . . . 81 VAL CA . 53226 1 332 . 1 . 1 81 81 VAL CB C 13 33.96891088 0 . . . . . . . 81 VAL CB . 53226 1 333 . 1 . 1 81 81 VAL N N 15 128.3709046 0.187953642 . . . . . . . 81 VAL N . 53226 1 334 . 1 . 1 82 82 VAL H H 1 8.054857254 0.011939279 . . . . . . . 82 VAL H . 53226 1 335 . 1 . 1 82 82 VAL C C 13 176.740077 . . . . . . . . 82 VAL C . 53226 1 336 . 1 . 1 82 82 VAL CA C 13 60.79582102 0.218656082 . . . . . . . 82 VAL CA . 53226 1 337 . 1 . 1 82 82 VAL CB C 13 31.13762394 0.01411689 . . . . . . . 82 VAL CB . 53226 1 338 . 1 . 1 82 82 VAL N N 15 127.1608035 0.116372196 . . . . . . . 82 VAL N . 53226 1 339 . 1 . 1 83 83 LEU H H 1 8.801848823 0.005129652 . . . . . . . 83 LEU H . 53226 1 340 . 1 . 1 83 83 LEU C C 13 176.740077 . . . . . . . . 83 LEU C . 53226 1 341 . 1 . 1 83 83 LEU CA C 13 53.05124709 0.082839622 . . . . . . . 83 LEU CA . 53226 1 342 . 1 . 1 83 83 LEU CB C 13 42.96275628 0 . . . . . . . 83 LEU CB . 53226 1 343 . 1 . 1 83 83 LEU N N 15 128.3863983 0.085143265 . . . . . . . 83 LEU N . 53226 1 344 . 1 . 1 84 84 ASP H H 1 9.071895459 0.013281241 . . . . . . . 84 ASP H . 53226 1 345 . 1 . 1 84 84 ASP C C 13 174.7251944 0.011567548 . . . . . . . 84 ASP C . 53226 1 346 . 1 . 1 84 84 ASP CA C 13 55.35202047 0.13755063 . . . . . . . 84 ASP CA . 53226 1 347 . 1 . 1 84 84 ASP CB C 13 38.82292159 0 . . . . . . . 84 ASP CB . 53226 1 348 . 1 . 1 84 84 ASP N N 15 125.124 0.049 . . . . . . . 84 ASP N . 53226 1 349 . 1 . 1 85 85 ASP H H 1 8.344284979 0.007328181 . . . . . . . 85 ASP H . 53226 1 350 . 1 . 1 85 85 ASP CA C 13 55.51991834 0.001642606 . . . . . . . 85 ASP CA . 53226 1 351 . 1 . 1 85 85 ASP N N 15 110.2563435 0.031840886 . . . . . . . 85 ASP N . 53226 1 352 . 1 . 1 86 86 LYS H H 1 7.762359547 0.014046686 . . . . . . . 86 LYS H . 53226 1 353 . 1 . 1 86 86 LYS C C 13 173.3747309 . . . . . . . . 86 LYS C . 53226 1 354 . 1 . 1 86 86 LYS CA C 13 54.96691154 0.352470325 . . . . . . . 86 LYS CA . 53226 1 355 . 1 . 1 86 86 LYS CB C 13 34.5963089 0.02301429 . . . . . . . 86 LYS CB . 53226 1 356 . 1 . 1 86 86 LYS N N 15 121.939127 0.106636211 . . . . . . . 86 LYS N . 53226 1 357 . 1 . 1 87 87 ASP H H 1 7.749769932 0.011201725 . . . . . . . 87 ASP H . 53226 1 358 . 1 . 1 87 87 ASP C C 13 174.8311149 0.006955299 . . . . . . . 87 ASP C . 53226 1 359 . 1 . 1 87 87 ASP CA C 13 54.10685041 0.097798743 . . . . . . . 87 ASP CA . 53226 1 360 . 1 . 1 87 87 ASP CB C 13 41.20287558 0.104312617 . . . . . . . 87 ASP CB . 53226 1 361 . 1 . 1 87 87 ASP N N 15 119.62 0.067 . . . . . . . 87 ASP N . 53226 1 362 . 1 . 1 88 88 TYR H H 1 8.397676545 0.011125488 . . . . . . . 88 TYR H . 53226 1 363 . 1 . 1 88 88 TYR C C 13 176.6526337 0 . . . . . . . 88 TYR C . 53226 1 364 . 1 . 1 88 88 TYR CA C 13 56.70335585 0.138101136 . . . . . . . 88 TYR CA . 53226 1 365 . 1 . 1 88 88 TYR CB C 13 41.06784156 0 . . . . . . . 88 TYR CB . 53226 1 366 . 1 . 1 88 88 TYR N N 15 121.9134487 0.105713823 . . . . . . . 88 TYR N . 53226 1 367 . 1 . 1 89 89 PHE H H 1 8.941198572 0.009450683 . . . . . . . 89 PHE H . 53226 1 368 . 1 . 1 89 89 PHE CA C 13 56.73598779 0.118174852 . . . . . . . 89 PHE CA . 53226 1 369 . 1 . 1 89 89 PHE CB C 13 43.56384462 0 . . . . . . . 89 PHE CB . 53226 1 370 . 1 . 1 89 89 PHE N N 15 115.3073533 0.094617383 . . . . . . . 89 PHE N . 53226 1 371 . 1 . 1 90 90 LEU H H 1 9.551331857 0.004633567 . . . . . . . 90 LEU H . 53226 1 372 . 1 . 1 90 90 LEU CA C 13 53.26328123 0.096707911 . . . . . . . 90 LEU CA . 53226 1 373 . 1 . 1 90 90 LEU CB C 13 44.6240663 0 . . . . . . . 90 LEU CB . 53226 1 374 . 1 . 1 90 90 LEU N N 15 126.2779698 1.34882678 . . . . . . . 90 LEU N . 53226 1 375 . 1 . 1 91 91 PHE H H 1 9.252918214 0.00984782 . . . . . . . 91 PHE H . 53226 1 376 . 1 . 1 91 91 PHE CA C 13 56.80193398 0.04916481 . . . . . . . 91 PHE CA . 53226 1 377 . 1 . 1 91 91 PHE CB C 13 43.29856715 0.438734302 . . . . . . . 91 PHE CB . 53226 1 378 . 1 . 1 91 91 PHE N N 15 125.2642162 0.126488236 . . . . . . . 91 PHE N . 53226 1 379 . 1 . 1 92 92 ARG H H 1 9.366635945 0.006697736 . . . . . . . 92 ARG H . 53226 1 380 . 1 . 1 92 92 ARG C C 13 177.7718205 . . . . . . . . 92 ARG C . 53226 1 381 . 1 . 1 92 92 ARG CA C 13 55.40793595 0.106916836 . . . . . . . 92 ARG CA . 53226 1 382 . 1 . 1 92 92 ARG CB C 13 30.34146178 0.000000337 . . . . . . . 92 ARG CB . 53226 1 383 . 1 . 1 92 92 ARG N N 15 120.9491624 0.111978647 . . . . . . . 92 ARG N . 53226 1 384 . 1 . 1 93 93 ASP H H 1 8.572525276 0.014998319 . . . . . . . 93 ASP H . 53226 1 385 . 1 . 1 93 93 ASP C C 13 177.7632307 . . . . . . . . 93 ASP C . 53226 1 386 . 1 . 1 93 93 ASP CB C 13 42.682 6.688254345 . . . . . . . 93 ASP CB . 53226 1 387 . 1 . 1 93 93 ASP N N 15 123.3950078 0.111667403 . . . . . . . 93 ASP N . 53226 1 388 . 1 . 1 94 94 GLY H H 1 8.165054372 . . . . . . . . 94 GLY H . 53226 1 389 . 1 . 1 94 94 GLY C C 13 173.5392762 . . . . . . . . 94 GLY C . 53226 1 390 . 1 . 1 94 94 GLY CA C 13 44.655 4.187652754 . . . . . . . 94 GLY CA . 53226 1 391 . 1 . 1 94 94 GLY N N 15 107.8365407 . . . . . . . . 94 GLY N . 53226 1 392 . 1 . 1 95 95 ASP H H 1 7.869154694 0.008955723 . . . . . . . 95 ASP H . 53226 1 393 . 1 . 1 95 95 ASP C C 13 173.5392762 . . . . . . . . 95 ASP C . 53226 1 394 . 1 . 1 95 95 ASP CA C 13 60.02101371 1.54570548 . . . . . . . 95 ASP CA . 53226 1 395 . 1 . 1 95 95 ASP CB C 13 37.95696028 0.092275744 . . . . . . . 95 ASP CB . 53226 1 396 . 1 . 1 95 95 ASP N N 15 120.4691732 0.100715689 . . . . . . . 95 ASP N . 53226 1 397 . 1 . 1 96 96 ILE H H 1 8.328764467 0.012575478 . . . . . . . 96 ILE H . 53226 1 398 . 1 . 1 96 96 ILE C C 13 174.4656192 0.007329507 . . . . . . . 96 ILE C . 53226 1 399 . 1 . 1 96 96 ILE CA C 13 54.56468287 0.096030517 . . . . . . . 96 ILE CA . 53226 1 400 . 1 . 1 96 96 ILE CB C 13 32.30385233 0.03290245 . . . . . . . 96 ILE CB . 53226 1 401 . 1 . 1 96 96 ILE N N 15 125.9943955 0.18817149 . . . . . . . 96 ILE N . 53226 1 402 . 1 . 1 97 97 LEU H H 1 7.955996694 0.007230423 . . . . . . . 97 LEU H . 53226 1 403 . 1 . 1 97 97 LEU C C 13 174.2537988 . . . . . . . . 97 LEU C . 53226 1 404 . 1 . 1 97 97 LEU CA C 13 52.1021375 0.1020247 . . . . . . . 97 LEU CA . 53226 1 405 . 1 . 1 97 97 LEU CB C 13 41.92117658 0.352659019 . . . . . . . 97 LEU CB . 53226 1 406 . 1 . 1 97 97 LEU N N 15 123.4344143 1.448602892 . . . . . . . 97 LEU N . 53226 1 407 . 1 . 1 98 98 GLY H H 1 7.139541414 0.008862535 . . . . . . . 98 GLY H . 53226 1 408 . 1 . 1 98 98 GLY CA C 13 45.16350342 0.081006513 . . . . . . . 98 GLY CA . 53226 1 409 . 1 . 1 98 98 GLY N N 15 129.0213512 0.133477783 . . . . . . . 98 GLY N . 53226 1 410 . 1 . 1 99 99 LYS H H 1 8.282368439 0.011072518 . . . . . . . 99 LYS H . 53226 1 411 . 1 . 1 99 99 LYS C C 13 176.9194072 . . . . . . . . 99 LYS C . 53226 1 412 . 1 . 1 99 99 LYS CA C 13 52.91069351 0.0532275 . . . . . . . 99 LYS CA . 53226 1 413 . 1 . 1 99 99 LYS CB C 13 36.76321459 1.166410171 . . . . . . . 99 LYS CB . 53226 1 414 . 1 . 1 99 99 LYS N N 15 117.9236468 0.112150687 . . . . . . . 99 LYS N . 53226 1 415 . 1 . 1 100 100 TYR H H 1 8.506034712 0.007845869 . . . . . . . 100 TYR H . 53226 1 416 . 1 . 1 100 100 TYR C C 13 173.3348559 0.000698613 . . . . . . . 100 TYR C . 53226 1 417 . 1 . 1 100 100 TYR CA C 13 59.83832631 3.046217278 . . . . . . . 100 TYR CA . 53226 1 418 . 1 . 1 100 100 TYR CB C 13 37.06465953 1.620378912 . . . . . . . 100 TYR CB . 53226 1 419 . 1 . 1 100 100 TYR N N 15 121.2508655 0.141304751 . . . . . . . 100 TYR N . 53226 1 420 . 1 . 1 101 101 VAL H H 1 8.917936439 0.007769933 . . . . . . . 101 VAL H . 53226 1 421 . 1 . 1 101 101 VAL C C 13 174.6759749 0.008402557 . . . . . . . 101 VAL C . 53226 1 422 . 1 . 1 101 101 VAL CA C 13 59.77999604 0.161902913 . . . . . . . 101 VAL CA . 53226 1 423 . 1 . 1 101 101 VAL CB C 13 32.87966516 0.091485513 . . . . . . . 101 VAL CB . 53226 1 424 . 1 . 1 101 101 VAL N N 15 120.8059061 0.106279584 . . . . . . . 101 VAL N . 53226 1 425 . 1 . 1 102 102 ASP H H 1 7.780856781 0.012546143 . . . . . . . 102 ASP H . 53226 1 426 . 1 . 1 102 102 ASP C C 13 181.3063915 . . . . . . . . 102 ASP C . 53226 1 427 . 1 . 1 102 102 ASP CA C 13 55.86276795 0.127512 . . . . . . . 102 ASP CA . 53226 1 428 . 1 . 1 102 102 ASP CB C 13 41.7746041 0.176320107 . . . . . . . 102 ASP CB . 53226 1 429 . 1 . 1 102 102 ASP N N 15 126.0998282 0.125289679 . . . . . . . 102 ASP N . 53226 1 stop_ save_