data_52287 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52287 _Entry.Title ; Backbone Assignments of Ydj1 G70N mutant J-domain and Gly-rich region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-26 _Entry.Accession_date 2024-01-26 _Entry.Last_release_date 2024-01-26 _Entry.Original_release_date 2024-01-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Szymon Ciesielski . J. . . 52287 2 Marco Tonelli . . . . 52287 3 Elizabeth Craig . A. . . 52287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 167 52287 '15N chemical shifts' 89 52287 '1H chemical shifts' 89 52287 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 . . 2024-04-12 . original BMRB . 52287 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52234 'Backbone Assignments of Sis1 J-domain and Gly-rich region' 52287 BMRB 52286 'Backbone Assignments of Ydj1 J-domain and Gly-rich region' 52287 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52287 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38529663 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Comparative structural and functional analysis of the glycine-rich regions of Class A and B J-domain protein cochaperones of Hsp70 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Szymon Ciesielski . J. . . 52287 1 2 Brenda Schilke . A. . . 52287 1 3 Milena Stolarska . . . . 52287 1 4 Marco Tonelli . . . . 52287 1 5 Bartlomiej Tomiczek . . . . 52287 1 6 Elizabeth Craig . A. . . 52287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52287 _Assembly.ID 1 _Assembly.Name 'Ydj1 G70N mutant J-domain and Gly-rich region (1-109 residues)' _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 'Ydj1 G70N mutant J-domain and Gly-rich region (1-109 residues)' 1 $entity_1 . . yes native no no . . . 52287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52287 _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 ; GEFGSMVKETKFYDILGVPV TATDVEIKKAYRKCALKYHP DKNPSEEAAEKFKEASAAYE ILSDPEKRDIYDQFNEDGLS GAGGAGGFPGGGFGFGDDIF SQFFGAGGAQRPRG ; _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 114 _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_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 52287 1 2 . GLU . 52287 1 3 . PHE . 52287 1 4 . GLY . 52287 1 5 . SER . 52287 1 6 . MET . 52287 1 7 . VAL . 52287 1 8 . LYS . 52287 1 9 . GLU . 52287 1 10 . THR . 52287 1 11 . LYS . 52287 1 12 . PHE . 52287 1 13 . TYR . 52287 1 14 . ASP . 52287 1 15 . ILE . 52287 1 16 . LEU . 52287 1 17 . GLY . 52287 1 18 . VAL . 52287 1 19 . PRO . 52287 1 20 . VAL . 52287 1 21 . THR . 52287 1 22 . ALA . 52287 1 23 . THR . 52287 1 24 . ASP . 52287 1 25 . VAL . 52287 1 26 . GLU . 52287 1 27 . ILE . 52287 1 28 . LYS . 52287 1 29 . LYS . 52287 1 30 . ALA . 52287 1 31 . TYR . 52287 1 32 . ARG . 52287 1 33 . LYS . 52287 1 34 . CYS . 52287 1 35 . ALA . 52287 1 36 . LEU . 52287 1 37 . LYS . 52287 1 38 . TYR . 52287 1 39 . HIS . 52287 1 40 . PRO . 52287 1 41 . ASP . 52287 1 42 . LYS . 52287 1 43 . ASN . 52287 1 44 . PRO . 52287 1 45 . SER . 52287 1 46 . GLU . 52287 1 47 . GLU . 52287 1 48 . ALA . 52287 1 49 . ALA . 52287 1 50 . GLU . 52287 1 51 . LYS . 52287 1 52 . PHE . 52287 1 53 . LYS . 52287 1 54 . GLU . 52287 1 55 . ALA . 52287 1 56 . SER . 52287 1 57 . ALA . 52287 1 58 . ALA . 52287 1 59 . TYR . 52287 1 60 . GLU . 52287 1 61 . ILE . 52287 1 62 . LEU . 52287 1 63 . SER . 52287 1 64 . ASP . 52287 1 65 . PRO . 52287 1 66 . GLU . 52287 1 67 . LYS . 52287 1 68 . ARG . 52287 1 69 . ASP . 52287 1 70 . ILE . 52287 1 71 . TYR . 52287 1 72 . ASP . 52287 1 73 . GLN . 52287 1 74 . PHE . 52287 1 75 . ASN . 52287 1 76 . GLU . 52287 1 77 . ASP . 52287 1 78 . GLY . 52287 1 79 . LEU . 52287 1 80 . SER . 52287 1 81 . GLY . 52287 1 82 . ALA . 52287 1 83 . GLY . 52287 1 84 . GLY . 52287 1 85 . ALA . 52287 1 86 . GLY . 52287 1 87 . GLY . 52287 1 88 . PHE . 52287 1 89 . PRO . 52287 1 90 . GLY . 52287 1 91 . GLY . 52287 1 92 . GLY . 52287 1 93 . PHE . 52287 1 94 . GLY . 52287 1 95 . PHE . 52287 1 96 . GLY . 52287 1 97 . ASP . 52287 1 98 . ASP . 52287 1 99 . ILE . 52287 1 100 . PHE . 52287 1 101 . SER . 52287 1 102 . GLN . 52287 1 103 . PHE . 52287 1 104 . PHE . 52287 1 105 . GLY . 52287 1 106 . ALA . 52287 1 107 . GLY . 52287 1 108 . GLY . 52287 1 109 . ALA . 52287 1 110 . GLN . 52287 1 111 . ARG . 52287 1 112 . PRO . 52287 1 113 . ARG . 52287 1 114 . GLY . 52287 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52287 1 . GLU 2 2 52287 1 . PHE 3 3 52287 1 . GLY 4 4 52287 1 . SER 5 5 52287 1 . MET 6 6 52287 1 . VAL 7 7 52287 1 . LYS 8 8 52287 1 . GLU 9 9 52287 1 . THR 10 10 52287 1 . LYS 11 11 52287 1 . PHE 12 12 52287 1 . TYR 13 13 52287 1 . ASP 14 14 52287 1 . ILE 15 15 52287 1 . LEU 16 16 52287 1 . GLY 17 17 52287 1 . VAL 18 18 52287 1 . PRO 19 19 52287 1 . VAL 20 20 52287 1 . THR 21 21 52287 1 . ALA 22 22 52287 1 . THR 23 23 52287 1 . ASP 24 24 52287 1 . VAL 25 25 52287 1 . GLU 26 26 52287 1 . ILE 27 27 52287 1 . LYS 28 28 52287 1 . LYS 29 29 52287 1 . ALA 30 30 52287 1 . TYR 31 31 52287 1 . ARG 32 32 52287 1 . LYS 33 33 52287 1 . CYS 34 34 52287 1 . ALA 35 35 52287 1 . LEU 36 36 52287 1 . LYS 37 37 52287 1 . TYR 38 38 52287 1 . HIS 39 39 52287 1 . PRO 40 40 52287 1 . ASP 41 41 52287 1 . LYS 42 42 52287 1 . ASN 43 43 52287 1 . PRO 44 44 52287 1 . SER 45 45 52287 1 . GLU 46 46 52287 1 . GLU 47 47 52287 1 . ALA 48 48 52287 1 . ALA 49 49 52287 1 . GLU 50 50 52287 1 . LYS 51 51 52287 1 . PHE 52 52 52287 1 . LYS 53 53 52287 1 . GLU 54 54 52287 1 . ALA 55 55 52287 1 . SER 56 56 52287 1 . ALA 57 57 52287 1 . ALA 58 58 52287 1 . TYR 59 59 52287 1 . GLU 60 60 52287 1 . ILE 61 61 52287 1 . LEU 62 62 52287 1 . SER 63 63 52287 1 . ASP 64 64 52287 1 . PRO 65 65 52287 1 . GLU 66 66 52287 1 . LYS 67 67 52287 1 . ARG 68 68 52287 1 . ASP 69 69 52287 1 . ILE 70 70 52287 1 . TYR 71 71 52287 1 . ASP 72 72 52287 1 . GLN 73 73 52287 1 . PHE 74 74 52287 1 . ASN 75 75 52287 1 . GLU 76 76 52287 1 . ASP 77 77 52287 1 . GLY 78 78 52287 1 . LEU 79 79 52287 1 . SER 80 80 52287 1 . GLY 81 81 52287 1 . ALA 82 82 52287 1 . GLY 83 83 52287 1 . GLY 84 84 52287 1 . ALA 85 85 52287 1 . GLY 86 86 52287 1 . GLY 87 87 52287 1 . PHE 88 88 52287 1 . PRO 89 89 52287 1 . GLY 90 90 52287 1 . GLY 91 91 52287 1 . GLY 92 92 52287 1 . PHE 93 93 52287 1 . GLY 94 94 52287 1 . PHE 95 95 52287 1 . GLY 96 96 52287 1 . ASP 97 97 52287 1 . ASP 98 98 52287 1 . ILE 99 99 52287 1 . PHE 100 100 52287 1 . SER 101 101 52287 1 . GLN 102 102 52287 1 . PHE 103 103 52287 1 . PHE 104 104 52287 1 . GLY 105 105 52287 1 . ALA 106 106 52287 1 . GLY 107 107 52287 1 . GLY 108 108 52287 1 . ALA 109 109 52287 1 . GLN 110 110 52287 1 . ARG 111 111 52287 1 . PRO 112 112 52287 1 . ARG 113 113 52287 1 . GLY 114 114 52287 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 52287 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 52287 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 52287 _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 . . pMAL-His-TEV-ydj1109 . . 'pMAL-His-TEV plasmids carrying a truncated YDJ1 encoding 1-109 protein fragment (Schilke et al., 2017)' 52287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52287 _Sample.ID 1 _Sample.Name 'NMR sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ydj1 1-109 G70N' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52287 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 52287 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52287 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 52287 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52287 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 52287 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 . mM 52287 1 pH 7.5 . pH 52287 1 pressure 1 . atm 52287 1 temperature 278 . K 52287 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52287 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52287 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52287 _Software.ID 2 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52287 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52287 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52287 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52287 _Software.ID 4 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52287 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52287 _Software.ID 5 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52287 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 52287 _Software.ID 6 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52287 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 52287 _Software.ID 7 _Software.Type . _Software.Name APES _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52287 7 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 52287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Fleckvieh _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52287 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Gelbvieh _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52287 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name Telemark _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 52287 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name Vosges _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 52287 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name Jaulan _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _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 52287 _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 HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 52287 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 52287 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 52287 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52287 1 5 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 52287 1 6 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52287 1 7 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 52287 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 52287 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'NMR reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect . . . . . . 52287 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52287 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 52287 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 52287 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Ydj1 1-109 WT Backbone Assignments' _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 HNCACB' . . . 52287 1 2 '3D CBCA(CO)NH' . . . 52287 1 4 '3D HNCA' . . . 52287 1 5 '3D HN(CO)CA' . . . 52287 1 6 '2D 1H-15N HSQC' . . . 52287 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 . . 52287 1 2 $software_2 . . 52287 1 3 $software_3 . . 52287 1 4 $software_4 . . 52287 1 5 $software_5 . . 52287 1 6 $software_6 . . 52287 1 7 $software_7 . . 52287 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 GLU CA C 13 56.525 0.01 . . . . . . . 2 GLU CA . 52287 1 2 . 1 . 1 2 2 GLU CB C 13 30.373 0.03 . . . . . . . 2 GLU CB . 52287 1 3 . 1 . 1 3 3 PHE H H 1 8.633 0.00 . . . . . . . 3 PHE H . 52287 1 4 . 1 . 1 3 3 PHE CA C 13 58.122 0.04 . . . . . . . 3 PHE CA . 52287 1 5 . 1 . 1 3 3 PHE CB C 13 39.335 0.03 . . . . . . . 3 PHE CB . 52287 1 6 . 1 . 1 3 3 PHE N N 15 121.332 0.01 . . . . . . . 3 PHE N . 52287 1 7 . 1 . 1 4 4 GLY H H 1 8.408 0.00 . . . . . . . 4 GLY H . 52287 1 8 . 1 . 1 4 4 GLY CA C 13 45.331 0.01 . . . . . . . 4 GLY CA . 52287 1 9 . 1 . 1 4 4 GLY N N 15 110.911 0.01 . . . . . . . 4 GLY N . 52287 1 10 . 1 . 1 5 5 SER H H 1 8.223 0.00 . . . . . . . 5 SER H . 52287 1 11 . 1 . 1 5 5 SER CA C 13 58.380 0.03 . . . . . . . 5 SER CA . 52287 1 12 . 1 . 1 5 5 SER CB C 13 63.795 0.03 . . . . . . . 5 SER CB . 52287 1 13 . 1 . 1 5 5 SER N N 15 115.668 0.00 . . . . . . . 5 SER N . 52287 1 14 . 1 . 1 6 6 MET H H 1 8.470 0.00 . . . . . . . 6 MET H . 52287 1 15 . 1 . 1 6 6 MET CA C 13 55.558 0.01 . . . . . . . 6 MET CA . 52287 1 16 . 1 . 1 6 6 MET CB C 13 32.784 0.06 . . . . . . . 6 MET CB . 52287 1 17 . 1 . 1 6 6 MET N N 15 122.376 0.01 . . . . . . . 6 MET N . 52287 1 18 . 1 . 1 7 7 VAL H H 1 8.176 0.00 . . . . . . . 7 VAL H . 52287 1 19 . 1 . 1 7 7 VAL CA C 13 62.233 0.05 . . . . . . . 7 VAL CA . 52287 1 20 . 1 . 1 7 7 VAL CB C 13 32.765 0.02 . . . . . . . 7 VAL CB . 52287 1 21 . 1 . 1 7 7 VAL N N 15 121.697 0.01 . . . . . . . 7 VAL N . 52287 1 22 . 1 . 1 8 8 LYS H H 1 8.467 0.00 . . . . . . . 8 LYS H . 52287 1 23 . 1 . 1 8 8 LYS CA C 13 56.293 0.03 . . . . . . . 8 LYS CA . 52287 1 24 . 1 . 1 8 8 LYS CB C 13 32.938 0.03 . . . . . . . 8 LYS CB . 52287 1 25 . 1 . 1 8 8 LYS N N 15 125.836 0.01 . . . . . . . 8 LYS N . 52287 1 26 . 1 . 1 9 9 GLU H H 1 8.593 0.00 . . . . . . . 9 GLU H . 52287 1 27 . 1 . 1 9 9 GLU CA C 13 56.548 0.00 . . . . . . . 9 GLU CA . 52287 1 28 . 1 . 1 9 9 GLU CB C 13 30.312 0.00 . . . . . . . 9 GLU CB . 52287 1 29 . 1 . 1 9 9 GLU N N 15 123.094 0.02 . . . . . . . 9 GLU N . 52287 1 30 . 1 . 1 15 15 ILE H H 1 8.322 0.00 . . . . . . . 15 ILE H . 52287 1 31 . 1 . 1 15 15 ILE CA C 13 64.381 0.03 . . . . . . . 15 ILE CA . 52287 1 32 . 1 . 1 15 15 ILE N N 15 120.783 0.00 . . . . . . . 15 ILE N . 52287 1 33 . 1 . 1 16 16 LEU H H 1 6.954 0.00 . . . . . . . 16 LEU H . 52287 1 34 . 1 . 1 16 16 LEU CA C 13 55.160 0.00 . . . . . . . 16 LEU CA . 52287 1 35 . 1 . 1 16 16 LEU CB C 13 42.503 0.09 . . . . . . . 16 LEU CB . 52287 1 36 . 1 . 1 16 16 LEU N N 15 116.031 0.02 . . . . . . . 16 LEU N . 52287 1 37 . 1 . 1 17 17 GLY H H 1 8.106 0.00 . . . . . . . 17 GLY H . 52287 1 38 . 1 . 1 17 17 GLY CA C 13 46.567 0.03 . . . . . . . 17 GLY CA . 52287 1 39 . 1 . 1 17 17 GLY N N 15 109.046 0.01 . . . . . . . 17 GLY N . 52287 1 40 . 1 . 1 18 18 VAL H H 1 7.853 0.00 . . . . . . . 18 VAL H . 52287 1 41 . 1 . 1 18 18 VAL CA C 13 56.988 0.00 . . . . . . . 18 VAL CA . 52287 1 42 . 1 . 1 18 18 VAL CB C 13 33.248 0.00 . . . . . . . 18 VAL CB . 52287 1 43 . 1 . 1 18 18 VAL N N 15 111.690 0.01 . . . . . . . 18 VAL N . 52287 1 44 . 1 . 1 19 19 PRO CA C 13 61.605 0.00 . . . . . . . 19 PRO CA . 52287 1 45 . 1 . 1 19 19 PRO CB C 13 32.952 0.00 . . . . . . . 19 PRO CB . 52287 1 46 . 1 . 1 20 20 VAL H H 1 8.185 0.00 . . . . . . . 20 VAL H . 52287 1 47 . 1 . 1 20 20 VAL CA C 13 61.262 0.00 . . . . . . . 20 VAL CA . 52287 1 48 . 1 . 1 20 20 VAL CB C 13 30.732 0.00 . . . . . . . 20 VAL CB . 52287 1 49 . 1 . 1 20 20 VAL N N 15 114.765 0.03 . . . . . . . 20 VAL N . 52287 1 50 . 1 . 1 21 21 THR H H 1 6.712 0.00 . . . . . . . 21 THR H . 52287 1 51 . 1 . 1 21 21 THR CA C 13 60.210 0.01 . . . . . . . 21 THR CA . 52287 1 52 . 1 . 1 21 21 THR CB C 13 68.111 0.03 . . . . . . . 21 THR CB . 52287 1 53 . 1 . 1 21 21 THR N N 15 104.298 0.00 . . . . . . . 21 THR N . 52287 1 54 . 1 . 1 22 22 ALA H H 1 7.596 0.00 . . . . . . . 22 ALA H . 52287 1 55 . 1 . 1 22 22 ALA CA C 13 52.722 0.01 . . . . . . . 22 ALA CA . 52287 1 56 . 1 . 1 22 22 ALA CB C 13 19.828 0.06 . . . . . . . 22 ALA CB . 52287 1 57 . 1 . 1 22 22 ALA N N 15 124.719 0.01 . . . . . . . 22 ALA N . 52287 1 58 . 1 . 1 23 23 THR H H 1 8.929 0.00 . . . . . . . 23 THR H . 52287 1 59 . 1 . 1 23 23 THR CA C 13 60.499 0.05 . . . . . . . 23 THR CA . 52287 1 60 . 1 . 1 23 23 THR CB C 13 71.440 0.03 . . . . . . . 23 THR CB . 52287 1 61 . 1 . 1 23 23 THR N N 15 112.734 0.01 . . . . . . . 23 THR N . 52287 1 62 . 1 . 1 24 24 ASP H H 1 9.015 0.00 . . . . . . . 24 ASP H . 52287 1 63 . 1 . 1 24 24 ASP CA C 13 57.868 0.05 . . . . . . . 24 ASP CA . 52287 1 64 . 1 . 1 24 24 ASP CB C 13 40.147 0.08 . . . . . . . 24 ASP CB . 52287 1 65 . 1 . 1 24 24 ASP N N 15 120.645 0.00 . . . . . . . 24 ASP N . 52287 1 66 . 1 . 1 25 25 VAL H H 1 8.219 0.00 . . . . . . . 25 VAL H . 52287 1 67 . 1 . 1 25 25 VAL CA C 13 66.152 0.04 . . . . . . . 25 VAL CA . 52287 1 68 . 1 . 1 25 25 VAL CB C 13 32.401 0.00 . . . . . . . 25 VAL CB . 52287 1 69 . 1 . 1 25 25 VAL N N 15 120.065 0.02 . . . . . . . 25 VAL N . 52287 1 70 . 1 . 1 26 26 GLU H H 1 7.702 0.00 . . . . . . . 26 GLU H . 52287 1 71 . 1 . 1 26 26 GLU CA C 13 59.447 0.03 . . . . . . . 26 GLU CA . 52287 1 72 . 1 . 1 26 26 GLU CB C 13 30.051 0.00 . . . . . . . 26 GLU CB . 52287 1 73 . 1 . 1 26 26 GLU N N 15 121.562 0.01 . . . . . . . 26 GLU N . 52287 1 74 . 1 . 1 27 27 ILE H H 1 8.561 0.00 . . . . . . . 27 ILE H . 52287 1 75 . 1 . 1 27 27 ILE CA C 13 66.269 0.03 . . . . . . . 27 ILE CA . 52287 1 76 . 1 . 1 27 27 ILE CB C 13 44.874 0.03 . . . . . . . 27 ILE CB . 52287 1 77 . 1 . 1 27 27 ILE N N 15 122.795 0.01 . . . . . . . 27 ILE N . 52287 1 78 . 1 . 1 28 28 LYS H H 1 8.191 0.00 . . . . . . . 28 LYS H . 52287 1 79 . 1 . 1 28 28 LYS CA C 13 60.861 0.03 . . . . . . . 28 LYS CA . 52287 1 80 . 1 . 1 28 28 LYS CB C 13 32.423 0.09 . . . . . . . 28 LYS CB . 52287 1 81 . 1 . 1 28 28 LYS N N 15 120.519 0.05 . . . . . . . 28 LYS N . 52287 1 82 . 1 . 1 29 29 LYS H H 1 8.327 0.00 . . . . . . . 29 LYS H . 52287 1 83 . 1 . 1 29 29 LYS CA C 13 59.875 0.03 . . . . . . . 29 LYS CA . 52287 1 84 . 1 . 1 29 29 LYS CB C 13 32.851 0.03 . . . . . . . 29 LYS CB . 52287 1 85 . 1 . 1 29 29 LYS N N 15 119.172 0.03 . . . . . . . 29 LYS N . 52287 1 86 . 1 . 1 30 30 ALA H H 1 8.153 0.00 . . . . . . . 30 ALA H . 52287 1 87 . 1 . 1 30 30 ALA CA C 13 55.124 0.05 . . . . . . . 30 ALA CA . 52287 1 88 . 1 . 1 30 30 ALA CB C 13 19.475 0.05 . . . . . . . 30 ALA CB . 52287 1 89 . 1 . 1 30 30 ALA N N 15 122.693 0.02 . . . . . . . 30 ALA N . 52287 1 90 . 1 . 1 31 31 TYR H H 1 8.690 0.00 . . . . . . . 31 TYR H . 52287 1 91 . 1 . 1 31 31 TYR CA C 13 61.364 0.06 . . . . . . . 31 TYR CA . 52287 1 92 . 1 . 1 31 31 TYR CB C 13 38.557 0.02 . . . . . . . 31 TYR CB . 52287 1 93 . 1 . 1 31 31 TYR N N 15 119.736 0.01 . . . . . . . 31 TYR N . 52287 1 94 . 1 . 1 32 32 ARG H H 1 8.184 0.00 . . . . . . . 32 ARG H . 52287 1 95 . 1 . 1 32 32 ARG CA C 13 59.364 0.09 . . . . . . . 32 ARG CA . 52287 1 96 . 1 . 1 32 32 ARG CB C 13 29.057 0.04 . . . . . . . 32 ARG CB . 52287 1 97 . 1 . 1 32 32 ARG N N 15 119.070 0.02 . . . . . . . 32 ARG N . 52287 1 98 . 1 . 1 33 33 LYS H H 1 7.630 0.00 . . . . . . . 33 LYS H . 52287 1 99 . 1 . 1 33 33 LYS CA C 13 59.892 0.03 . . . . . . . 33 LYS CA . 52287 1 100 . 1 . 1 33 33 LYS CB C 13 32.279 0.05 . . . . . . . 33 LYS CB . 52287 1 101 . 1 . 1 33 33 LYS N N 15 117.842 0.02 . . . . . . . 33 LYS N . 52287 1 102 . 1 . 1 34 34 CYS H H 1 7.804 0.00 . . . . . . . 34 CYS H . 52287 1 103 . 1 . 1 34 34 CYS CA C 13 63.417 0.03 . . . . . . . 34 CYS CA . 52287 1 104 . 1 . 1 34 34 CYS CB C 13 26.803 0.03 . . . . . . . 34 CYS CB . 52287 1 105 . 1 . 1 34 34 CYS N N 15 119.063 0.01 . . . . . . . 34 CYS N . 52287 1 106 . 1 . 1 35 35 ALA H H 1 8.616 0.00 . . . . . . . 35 ALA H . 52287 1 107 . 1 . 1 35 35 ALA CA C 13 54.871 0.02 . . . . . . . 35 ALA CA . 52287 1 108 . 1 . 1 35 35 ALA CB C 13 17.502 0.03 . . . . . . . 35 ALA CB . 52287 1 109 . 1 . 1 35 35 ALA N N 15 122.040 0.01 . . . . . . . 35 ALA N . 52287 1 110 . 1 . 1 36 36 LEU H H 1 7.615 0.00 . . . . . . . 36 LEU H . 52287 1 111 . 1 . 1 36 36 LEU CA C 13 57.242 0.03 . . . . . . . 36 LEU CA . 52287 1 112 . 1 . 1 36 36 LEU CB C 13 42.092 0.05 . . . . . . . 36 LEU CB . 52287 1 113 . 1 . 1 36 36 LEU N N 15 115.968 0.04 . . . . . . . 36 LEU N . 52287 1 114 . 1 . 1 37 37 LYS H H 1 7.263 0.00 . . . . . . . 37 LYS H . 52287 1 115 . 1 . 1 37 37 LYS CA C 13 58.265 0.03 . . . . . . . 37 LYS CA . 52287 1 116 . 1 . 1 37 37 LYS CB C 13 33.130 0.00 . . . . . . . 37 LYS CB . 52287 1 117 . 1 . 1 37 37 LYS N N 15 116.995 0.01 . . . . . . . 37 LYS N . 52287 1 118 . 1 . 1 38 38 TYR H H 1 7.704 0.00 . . . . . . . 38 TYR H . 52287 1 119 . 1 . 1 38 38 TYR CA C 13 56.170 0.00 . . . . . . . 38 TYR CA . 52287 1 120 . 1 . 1 38 38 TYR N N 15 114.347 0.01 . . . . . . . 38 TYR N . 52287 1 121 . 1 . 1 39 39 HIS H H 1 7.442 0.00 . . . . . . . 39 HIS H . 52287 1 122 . 1 . 1 39 39 HIS CA C 13 56.380 0.09 . . . . . . . 39 HIS CA . 52287 1 123 . 1 . 1 39 39 HIS N N 15 121.577 0.02 . . . . . . . 39 HIS N . 52287 1 124 . 1 . 1 41 41 ASP CA C 13 56.110 0.00 . . . . . . . 41 ASP CA . 52287 1 125 . 1 . 1 41 41 ASP CB C 13 40.254 0.00 . . . . . . . 41 ASP CB . 52287 1 126 . 1 . 1 42 42 LYS H H 1 8.008 0.00 . . . . . . . 42 LYS H . 52287 1 127 . 1 . 1 42 42 LYS CA C 13 55.350 0.01 . . . . . . . 42 LYS CA . 52287 1 128 . 1 . 1 42 42 LYS CB C 13 33.392 0.03 . . . . . . . 42 LYS CB . 52287 1 129 . 1 . 1 42 42 LYS N N 15 117.897 0.02 . . . . . . . 42 LYS N . 52287 1 130 . 1 . 1 43 43 ASN H H 1 8.106 0.00 . . . . . . . 43 ASN H . 52287 1 131 . 1 . 1 43 43 ASN CA C 13 50.238 0.00 . . . . . . . 43 ASN CA . 52287 1 132 . 1 . 1 43 43 ASN CB C 13 39.884 0.00 . . . . . . . 43 ASN CB . 52287 1 133 . 1 . 1 43 43 ASN N N 15 117.038 0.03 . . . . . . . 43 ASN N . 52287 1 134 . 1 . 1 44 44 PRO CA C 13 63.528 0.03 . . . . . . . 44 PRO CA . 52287 1 135 . 1 . 1 44 44 PRO CB C 13 32.079 0.03 . . . . . . . 44 PRO CB . 52287 1 136 . 1 . 1 45 45 SER H H 1 8.070 0.00 . . . . . . . 45 SER H . 52287 1 137 . 1 . 1 45 45 SER CA C 13 58.647 0.04 . . . . . . . 45 SER CA . 52287 1 138 . 1 . 1 45 45 SER CB C 13 65.213 0.04 . . . . . . . 45 SER CB . 52287 1 139 . 1 . 1 45 45 SER N N 15 117.182 0.01 . . . . . . . 45 SER N . 52287 1 140 . 1 . 1 46 46 GLU H H 1 9.312 0.00 . . . . . . . 46 GLU H . 52287 1 141 . 1 . 1 46 46 GLU CA C 13 59.524 0.04 . . . . . . . 46 GLU CA . 52287 1 142 . 1 . 1 46 46 GLU CB C 13 29.311 0.06 . . . . . . . 46 GLU CB . 52287 1 143 . 1 . 1 46 46 GLU N N 15 124.782 0.05 . . . . . . . 46 GLU N . 52287 1 144 . 1 . 1 47 47 GLU H H 1 8.803 0.00 . . . . . . . 47 GLU H . 52287 1 145 . 1 . 1 47 47 GLU CA C 13 59.358 0.00 . . . . . . . 47 GLU CA . 52287 1 146 . 1 . 1 47 47 GLU CB C 13 29.258 0.02 . . . . . . . 47 GLU CB . 52287 1 147 . 1 . 1 47 47 GLU N N 15 119.952 0.00 . . . . . . . 47 GLU N . 52287 1 148 . 1 . 1 48 48 ALA H H 1 7.897 0.00 . . . . . . . 48 ALA H . 52287 1 149 . 1 . 1 48 48 ALA CA C 13 55.295 0.03 . . . . . . . 48 ALA CA . 52287 1 150 . 1 . 1 48 48 ALA CB C 13 17.867 0.08 . . . . . . . 48 ALA CB . 52287 1 151 . 1 . 1 48 48 ALA N N 15 122.255 0.03 . . . . . . . 48 ALA N . 52287 1 152 . 1 . 1 49 49 ALA H H 1 7.701 0.00 . . . . . . . 49 ALA H . 52287 1 153 . 1 . 1 49 49 ALA CA C 13 54.980 0.03 . . . . . . . 49 ALA CA . 52287 1 154 . 1 . 1 49 49 ALA CB C 13 17.527 0.03 . . . . . . . 49 ALA CB . 52287 1 155 . 1 . 1 49 49 ALA N N 15 120.351 0.02 . . . . . . . 49 ALA N . 52287 1 156 . 1 . 1 50 50 GLU H H 1 7.980 0.00 . . . . . . . 50 GLU H . 52287 1 157 . 1 . 1 50 50 GLU CA C 13 59.211 0.03 . . . . . . . 50 GLU CA . 52287 1 158 . 1 . 1 50 50 GLU CB C 13 29.237 0.06 . . . . . . . 50 GLU CB . 52287 1 159 . 1 . 1 50 50 GLU N N 15 119.909 0.01 . . . . . . . 50 GLU N . 52287 1 160 . 1 . 1 51 51 LYS H H 1 7.929 0.00 . . . . . . . 51 LYS H . 52287 1 161 . 1 . 1 51 51 LYS CA C 13 58.380 0.03 . . . . . . . 51 LYS CA . 52287 1 162 . 1 . 1 51 51 LYS CB C 13 30.365 0.03 . . . . . . . 51 LYS CB . 52287 1 163 . 1 . 1 51 51 LYS N N 15 120.075 0.02 . . . . . . . 51 LYS N . 52287 1 164 . 1 . 1 52 52 PHE H H 1 9.152 0.00 . . . . . . . 52 PHE H . 52287 1 165 . 1 . 1 52 52 PHE CA C 13 61.421 0.03 . . . . . . . 52 PHE CA . 52287 1 166 . 1 . 1 52 52 PHE CB C 13 38.836 0.00 . . . . . . . 52 PHE CB . 52287 1 167 . 1 . 1 52 52 PHE N N 15 121.726 0.02 . . . . . . . 52 PHE N . 52287 1 168 . 1 . 1 53 53 LYS H H 1 8.133 0.00 . . . . . . . 53 LYS H . 52287 1 169 . 1 . 1 53 53 LYS CA C 13 59.917 0.03 . . . . . . . 53 LYS CA . 52287 1 170 . 1 . 1 53 53 LYS CB C 13 32.266 0.03 . . . . . . . 53 LYS CB . 52287 1 171 . 1 . 1 53 53 LYS N N 15 122.337 0.02 . . . . . . . 53 LYS N . 52287 1 172 . 1 . 1 54 54 GLU H H 1 8.036 0.00 . . . . . . . 54 GLU H . 52287 1 173 . 1 . 1 54 54 GLU CA C 13 59.331 0.04 . . . . . . . 54 GLU CA . 52287 1 174 . 1 . 1 54 54 GLU CB C 13 30.085 0.07 . . . . . . . 54 GLU CB . 52287 1 175 . 1 . 1 54 54 GLU N N 15 120.258 0.02 . . . . . . . 54 GLU N . 52287 1 176 . 1 . 1 55 55 ALA H H 1 8.278 0.00 . . . . . . . 55 ALA H . 52287 1 177 . 1 . 1 55 55 ALA CA C 13 55.124 0.04 . . . . . . . 55 ALA CA . 52287 1 178 . 1 . 1 55 55 ALA CB C 13 17.986 0.04 . . . . . . . 55 ALA CB . 52287 1 179 . 1 . 1 55 55 ALA N N 15 121.784 0.02 . . . . . . . 55 ALA N . 52287 1 180 . 1 . 1 56 56 SER H H 1 8.319 0.00 . . . . . . . 56 SER H . 52287 1 181 . 1 . 1 56 56 SER CA C 13 62.025 0.00 . . . . . . . 56 SER CA . 52287 1 182 . 1 . 1 56 56 SER CB C 13 62.488 0.03 . . . . . . . 56 SER CB . 52287 1 183 . 1 . 1 56 56 SER N N 15 113.922 0.01 . . . . . . . 56 SER N . 52287 1 184 . 1 . 1 57 57 ALA H H 1 7.912 0.00 . . . . . . . 57 ALA H . 52287 1 185 . 1 . 1 57 57 ALA CA C 13 54.912 0.07 . . . . . . . 57 ALA CA . 52287 1 186 . 1 . 1 57 57 ALA CB C 13 17.749 0.05 . . . . . . . 57 ALA CB . 52287 1 187 . 1 . 1 57 57 ALA N N 15 125.390 0.02 . . . . . . . 57 ALA N . 52287 1 188 . 1 . 1 58 58 ALA H H 1 7.591 0.00 . . . . . . . 58 ALA H . 52287 1 189 . 1 . 1 58 58 ALA CA C 13 54.251 0.02 . . . . . . . 58 ALA CA . 52287 1 190 . 1 . 1 58 58 ALA CB C 13 18.656 0.05 . . . . . . . 58 ALA CB . 52287 1 191 . 1 . 1 58 58 ALA N N 15 119.071 0.02 . . . . . . . 58 ALA N . 52287 1 192 . 1 . 1 59 59 TYR H H 1 8.271 0.00 . . . . . . . 59 TYR H . 52287 1 193 . 1 . 1 59 59 TYR CA C 13 61.225 0.03 . . . . . . . 59 TYR CA . 52287 1 194 . 1 . 1 59 59 TYR CB C 13 38.778 0.03 . . . . . . . 59 TYR CB . 52287 1 195 . 1 . 1 59 59 TYR N N 15 117.141 0.01 . . . . . . . 59 TYR N . 52287 1 196 . 1 . 1 60 60 GLU H H 1 8.041 0.00 . . . . . . . 60 GLU H . 52287 1 197 . 1 . 1 60 60 GLU CA C 13 59.278 0.02 . . . . . . . 60 GLU CA . 52287 1 198 . 1 . 1 60 60 GLU CB C 13 29.230 0.04 . . . . . . . 60 GLU CB . 52287 1 199 . 1 . 1 60 60 GLU N N 15 120.879 0.01 . . . . . . . 60 GLU N . 52287 1 200 . 1 . 1 61 61 ILE H H 1 6.603 0.00 . . . . . . . 61 ILE H . 52287 1 201 . 1 . 1 61 61 ILE N N 15 115.564 0.00 . . . . . . . 61 ILE N . 52287 1 202 . 1 . 1 74 74 PHE H H 1 7.779 0.00 . . . . . . . 74 PHE H . 52287 1 203 . 1 . 1 74 74 PHE CA C 13 58.918 0.02 . . . . . . . 74 PHE CA . 52287 1 204 . 1 . 1 74 74 PHE N N 15 119.964 0.00 . . . . . . . 74 PHE N . 52287 1 205 . 1 . 1 75 75 ASN H H 1 8.173 0.00 . . . . . . . 75 ASN H . 52287 1 206 . 1 . 1 75 75 ASN CA C 13 53.728 0.04 . . . . . . . 75 ASN CA . 52287 1 207 . 1 . 1 75 75 ASN CB C 13 39.039 0.03 . . . . . . . 75 ASN CB . 52287 1 208 . 1 . 1 75 75 ASN N N 15 119.546 0.03 . . . . . . . 75 ASN N . 52287 1 209 . 1 . 1 76 76 GLU H H 1 8.299 0.00 . . . . . . . 76 GLU H . 52287 1 210 . 1 . 1 76 76 GLU CA C 13 57.600 0.03 . . . . . . . 76 GLU CA . 52287 1 211 . 1 . 1 76 76 GLU CB C 13 30.043 0.03 . . . . . . . 76 GLU CB . 52287 1 212 . 1 . 1 76 76 GLU N N 15 121.379 0.00 . . . . . . . 76 GLU N . 52287 1 213 . 1 . 1 77 77 ASP H H 1 8.388 0.00 . . . . . . . 77 ASP H . 52287 1 214 . 1 . 1 77 77 ASP CA C 13 54.995 0.04 . . . . . . . 77 ASP CA . 52287 1 215 . 1 . 1 77 77 ASP CB C 13 41.083 0.04 . . . . . . . 77 ASP CB . 52287 1 216 . 1 . 1 77 77 ASP N N 15 120.191 0.01 . . . . . . . 77 ASP N . 52287 1 217 . 1 . 1 78 78 GLY H H 1 8.207 0.00 . . . . . . . 78 GLY H . 52287 1 218 . 1 . 1 78 78 GLY CA C 13 45.811 0.00 . . . . . . . 78 GLY CA . 52287 1 219 . 1 . 1 78 78 GLY N N 15 108.707 0.01 . . . . . . . 78 GLY N . 52287 1 220 . 1 . 1 79 79 LEU H H 1 8.096 0.00 . . . . . . . 79 LEU H . 52287 1 221 . 1 . 1 79 79 LEU CA C 13 55.388 0.03 . . . . . . . 79 LEU CA . 52287 1 222 . 1 . 1 79 79 LEU CB C 13 42.096 0.04 . . . . . . . 79 LEU CB . 52287 1 223 . 1 . 1 79 79 LEU N N 15 120.957 0.01 . . . . . . . 79 LEU N . 52287 1 224 . 1 . 1 80 80 SER H H 1 8.325 0.00 . . . . . . . 80 SER H . 52287 1 225 . 1 . 1 80 80 SER CA C 13 58.834 0.02 . . . . . . . 80 SER CA . 52287 1 226 . 1 . 1 80 80 SER CB C 13 63.651 0.02 . . . . . . . 80 SER CB . 52287 1 227 . 1 . 1 80 80 SER N N 15 115.837 0.01 . . . . . . . 80 SER N . 52287 1 228 . 1 . 1 81 81 GLY H H 1 8.378 0.00 . . . . . . . 81 GLY H . 52287 1 229 . 1 . 1 81 81 GLY CA C 13 45.329 0.01 . . . . . . . 81 GLY CA . 52287 1 230 . 1 . 1 81 81 GLY N N 15 110.734 0.01 . . . . . . . 81 GLY N . 52287 1 231 . 1 . 1 82 82 ALA H H 1 8.227 0.00 . . . . . . . 82 ALA H . 52287 1 232 . 1 . 1 82 82 ALA CA C 13 52.754 0.01 . . . . . . . 82 ALA CA . 52287 1 233 . 1 . 1 82 82 ALA CB C 13 19.135 0.04 . . . . . . . 82 ALA CB . 52287 1 234 . 1 . 1 82 82 ALA N N 15 123.755 0.01 . . . . . . . 82 ALA N . 52287 1 235 . 1 . 1 83 83 GLY H H 1 8.508 0.00 . . . . . . . 83 GLY H . 52287 1 236 . 1 . 1 83 83 GLY CA C 13 45.401 0.03 . . . . . . . 83 GLY CA . 52287 1 237 . 1 . 1 83 83 GLY N N 15 108.194 0.01 . . . . . . . 83 GLY N . 52287 1 238 . 1 . 1 84 84 GLY H H 1 8.232 0.00 . . . . . . . 84 GLY H . 52287 1 239 . 1 . 1 84 84 GLY CA C 13 45.184 0.00 . . . . . . . 84 GLY CA . 52287 1 240 . 1 . 1 84 84 GLY N N 15 108.707 0.00 . . . . . . . 84 GLY N . 52287 1 241 . 1 . 1 85 85 ALA H H 1 8.345 0.00 . . . . . . . 85 ALA H . 52287 1 242 . 1 . 1 85 85 ALA CA C 13 52.759 0.02 . . . . . . . 85 ALA CA . 52287 1 243 . 1 . 1 85 85 ALA CB C 13 19.120 0.04 . . . . . . . 85 ALA CB . 52287 1 244 . 1 . 1 85 85 ALA N N 15 123.902 0.01 . . . . . . . 85 ALA N . 52287 1 245 . 1 . 1 86 86 GLY H H 1 8.475 0.00 . . . . . . . 86 GLY H . 52287 1 246 . 1 . 1 86 86 GLY CA C 13 45.337 0.03 . . . . . . . 86 GLY CA . 52287 1 247 . 1 . 1 86 86 GLY N N 15 108.059 0.01 . . . . . . . 86 GLY N . 52287 1 248 . 1 . 1 87 87 GLY H H 1 8.114 0.00 . . . . . . . 87 GLY H . 52287 1 249 . 1 . 1 87 87 GLY CA C 13 44.854 0.05 . . . . . . . 87 GLY CA . 52287 1 250 . 1 . 1 87 87 GLY N N 15 108.121 0.00 . . . . . . . 87 GLY N . 52287 1 251 . 1 . 1 88 88 PHE H H 1 8.191 0.00 . . . . . . . 88 PHE H . 52287 1 252 . 1 . 1 88 88 PHE CA C 13 55.723 0.00 . . . . . . . 88 PHE CA . 52287 1 253 . 1 . 1 88 88 PHE CB C 13 39.056 0.00 . . . . . . . 88 PHE CB . 52287 1 254 . 1 . 1 88 88 PHE N N 15 120.906 0.01 . . . . . . . 88 PHE N . 52287 1 255 . 1 . 1 89 89 PRO CA C 13 63.576 0.03 . . . . . . . 89 PRO CA . 52287 1 256 . 1 . 1 89 89 PRO CB C 13 31.749 0.03 . . . . . . . 89 PRO CB . 52287 1 257 . 1 . 1 90 90 GLY H H 1 8.340 0.00 . . . . . . . 90 GLY H . 52287 1 258 . 1 . 1 90 90 GLY CA C 13 45.312 0.07 . . . . . . . 90 GLY CA . 52287 1 259 . 1 . 1 90 90 GLY N N 15 109.697 0.01 . . . . . . . 90 GLY N . 52287 1 260 . 1 . 1 91 91 GLY H H 1 8.282 0.00 . . . . . . . 91 GLY H . 52287 1 261 . 1 . 1 91 91 GLY CA C 13 45.392 0.00 . . . . . . . 91 GLY CA . 52287 1 262 . 1 . 1 91 91 GLY N N 15 108.563 0.01 . . . . . . . 91 GLY N . 52287 1 263 . 1 . 1 92 92 GLY H H 1 8.274 0.00 . . . . . . . 92 GLY H . 52287 1 264 . 1 . 1 92 92 GLY CA C 13 45.042 0.03 . . . . . . . 92 GLY CA . 52287 1 265 . 1 . 1 92 92 GLY N N 15 108.441 0.01 . . . . . . . 92 GLY N . 52287 1 266 . 1 . 1 93 93 PHE H H 1 8.212 0.00 . . . . . . . 93 PHE H . 52287 1 267 . 1 . 1 93 93 PHE CA C 13 58.065 0.02 . . . . . . . 93 PHE CA . 52287 1 268 . 1 . 1 93 93 PHE CB C 13 39.564 0.04 . . . . . . . 93 PHE CB . 52287 1 269 . 1 . 1 93 93 PHE N N 15 119.509 0.01 . . . . . . . 93 PHE N . 52287 1 270 . 1 . 1 94 94 GLY H H 1 8.397 0.00 . . . . . . . 94 GLY H . 52287 1 271 . 1 . 1 94 94 GLY CA C 13 45.111 0.05 . . . . . . . 94 GLY CA . 52287 1 272 . 1 . 1 94 94 GLY N N 15 110.369 0.02 . . . . . . . 94 GLY N . 52287 1 273 . 1 . 1 95 95 PHE H H 1 8.131 0.00 . . . . . . . 95 PHE H . 52287 1 274 . 1 . 1 95 95 PHE CA C 13 57.978 0.02 . . . . . . . 95 PHE CA . 52287 1 275 . 1 . 1 95 95 PHE CB C 13 39.571 0.04 . . . . . . . 95 PHE CB . 52287 1 276 . 1 . 1 95 95 PHE N N 15 119.631 0.01 . . . . . . . 95 PHE N . 52287 1 277 . 1 . 1 96 96 GLY H H 1 8.475 0.00 . . . . . . . 96 GLY H . 52287 1 278 . 1 . 1 96 96 GLY CA C 13 45.304 0.02 . . . . . . . 96 GLY CA . 52287 1 279 . 1 . 1 96 96 GLY N N 15 110.537 0.01 . . . . . . . 96 GLY N . 52287 1 280 . 1 . 1 97 97 ASP H H 1 8.275 0.00 . . . . . . . 97 ASP H . 52287 1 281 . 1 . 1 97 97 ASP CA C 13 54.786 0.02 . . . . . . . 97 ASP CA . 52287 1 282 . 1 . 1 97 97 ASP CB C 13 41.239 0.04 . . . . . . . 97 ASP CB . 52287 1 283 . 1 . 1 97 97 ASP N N 15 120.460 0.01 . . . . . . . 97 ASP N . 52287 1 284 . 1 . 1 98 98 ASP H H 1 8.434 0.00 . . . . . . . 98 ASP H . 52287 1 285 . 1 . 1 98 98 ASP CA C 13 54.509 0.05 . . . . . . . 98 ASP CA . 52287 1 286 . 1 . 1 98 98 ASP CB C 13 40.944 0.05 . . . . . . . 98 ASP CB . 52287 1 287 . 1 . 1 98 98 ASP N N 15 120.161 0.00 . . . . . . . 98 ASP N . 52287 1 288 . 1 . 1 99 99 ILE H H 1 8.011 0.00 . . . . . . . 99 ILE H . 52287 1 289 . 1 . 1 99 99 ILE CA C 13 62.492 0.04 . . . . . . . 99 ILE CA . 52287 1 290 . 1 . 1 99 99 ILE CB C 13 38.005 0.03 . . . . . . . 99 ILE CB . 52287 1 291 . 1 . 1 99 99 ILE N N 15 120.116 0.00 . . . . . . . 99 ILE N . 52287 1 292 . 1 . 1 100 100 PHE H H 1 8.165 0.00 . . . . . . . 100 PHE H . 52287 1 293 . 1 . 1 100 100 PHE CA C 13 59.124 0.01 . . . . . . . 100 PHE CA . 52287 1 294 . 1 . 1 100 100 PHE CB C 13 38.966 0.04 . . . . . . . 100 PHE CB . 52287 1 295 . 1 . 1 100 100 PHE N N 15 121.034 0.01 . . . . . . . 100 PHE N . 52287 1 296 . 1 . 1 101 101 SER H H 1 8.094 0.00 . . . . . . . 101 SER H . 52287 1 297 . 1 . 1 101 101 SER CA C 13 59.570 0.05 . . . . . . . 101 SER CA . 52287 1 298 . 1 . 1 101 101 SER CB C 13 63.346 0.03 . . . . . . . 101 SER CB . 52287 1 299 . 1 . 1 101 101 SER N N 15 115.871 0.01 . . . . . . . 101 SER N . 52287 1 300 . 1 . 1 102 102 GLN H H 1 8.189 0.00 . . . . . . . 102 GLN H . 52287 1 301 . 1 . 1 102 102 GLN CA C 13 56.772 0.03 . . . . . . . 102 GLN CA . 52287 1 302 . 1 . 1 102 102 GLN CB C 13 28.814 0.05 . . . . . . . 102 GLN CB . 52287 1 303 . 1 . 1 102 102 GLN N N 15 121.067 0.01 . . . . . . . 102 GLN N . 52287 1 304 . 1 . 1 103 103 PHE H H 1 7.975 0.00 . . . . . . . 103 PHE H . 52287 1 305 . 1 . 1 103 103 PHE CA C 13 58.227 0.02 . . . . . . . 103 PHE CA . 52287 1 306 . 1 . 1 103 103 PHE CB C 13 39.512 0.03 . . . . . . . 103 PHE CB . 52287 1 307 . 1 . 1 103 103 PHE N N 15 119.005 0.01 . . . . . . . 103 PHE N . 52287 1 308 . 1 . 1 104 104 PHE H H 1 8.103 0.00 . . . . . . . 104 PHE H . 52287 1 309 . 1 . 1 104 104 PHE CA C 13 57.958 0.02 . . . . . . . 104 PHE CA . 52287 1 310 . 1 . 1 104 104 PHE CB C 13 39.583 0.04 . . . . . . . 104 PHE CB . 52287 1 311 . 1 . 1 104 104 PHE N N 15 119.820 0.01 . . . . . . . 104 PHE N . 52287 1 312 . 1 . 1 105 105 GLY H H 1 8.029 0.00 . . . . . . . 105 GLY H . 52287 1 313 . 1 . 1 105 105 GLY CA C 13 45.228 0.01 . . . . . . . 105 GLY CA . 52287 1 314 . 1 . 1 105 105 GLY N N 15 109.734 0.01 . . . . . . . 105 GLY N . 52287 1 315 . 1 . 1 106 106 ALA H H 1 8.297 0.00 . . . . . . . 106 ALA H . 52287 1 316 . 1 . 1 106 106 ALA CA C 13 52.827 0.02 . . . . . . . 106 ALA CA . 52287 1 317 . 1 . 1 106 106 ALA CB C 13 19.058 0.04 . . . . . . . 106 ALA CB . 52287 1 318 . 1 . 1 106 106 ALA N N 15 123.887 0.01 . . . . . . . 106 ALA N . 52287 1 319 . 1 . 1 107 107 GLY H H 1 8.552 0.00 . . . . . . . 107 GLY H . 52287 1 320 . 1 . 1 107 107 GLY CA C 13 45.461 0.03 . . . . . . . 107 GLY CA . 52287 1 321 . 1 . 1 107 107 GLY N N 15 108.388 0.01 . . . . . . . 107 GLY N . 52287 1 322 . 1 . 1 108 108 GLY H H 1 8.222 0.00 . . . . . . . 108 GLY H . 52287 1 323 . 1 . 1 108 108 GLY CA C 13 45.174 0.01 . . . . . . . 108 GLY CA . 52287 1 324 . 1 . 1 108 108 GLY N N 15 108.793 0.09 . . . . . . . 108 GLY N . 52287 1 325 . 1 . 1 109 109 ALA H H 1 8.190 0.00 . . . . . . . 109 ALA H . 52287 1 326 . 1 . 1 109 109 ALA CA C 13 52.531 0.00 . . . . . . . 109 ALA CA . 52287 1 327 . 1 . 1 109 109 ALA CB C 13 19.201 0.04 . . . . . . . 109 ALA CB . 52287 1 328 . 1 . 1 109 109 ALA N N 15 123.496 0.01 . . . . . . . 109 ALA N . 52287 1 329 . 1 . 1 110 110 GLN H H 1 8.390 0.00 . . . . . . . 110 GLN H . 52287 1 330 . 1 . 1 110 110 GLN CA C 13 55.536 0.00 . . . . . . . 110 GLN CA . 52287 1 331 . 1 . 1 110 110 GLN CB C 13 29.388 0.03 . . . . . . . 110 GLN CB . 52287 1 332 . 1 . 1 110 110 GLN N N 15 119.203 0.00 . . . . . . . 110 GLN N . 52287 1 333 . 1 . 1 111 111 ARG H H 1 8.349 0.00 . . . . . . . 111 ARG H . 52287 1 334 . 1 . 1 111 111 ARG CA C 13 54.021 0.00 . . . . . . . 111 ARG CA . 52287 1 335 . 1 . 1 111 111 ARG CB C 13 30.021 0.00 . . . . . . . 111 ARG CB . 52287 1 336 . 1 . 1 111 111 ARG N N 15 123.662 0.00 . . . . . . . 111 ARG N . 52287 1 337 . 1 . 1 112 112 PRO CA C 13 63.159 0.03 . . . . . . . 112 PRO CA . 52287 1 338 . 1 . 1 112 112 PRO CB C 13 32.093 0.03 . . . . . . . 112 PRO CB . 52287 1 339 . 1 . 1 113 113 ARG H H 1 8.570 0.00 . . . . . . . 113 ARG H . 52287 1 340 . 1 . 1 113 113 ARG CA C 13 56.093 0.02 . . . . . . . 113 ARG CA . 52287 1 341 . 1 . 1 113 113 ARG CB C 13 30.913 0.03 . . . . . . . 113 ARG CB . 52287 1 342 . 1 . 1 113 113 ARG N N 15 121.900 0.00 . . . . . . . 113 ARG N . 52287 1 343 . 1 . 1 114 114 GLY H H 1 8.065 0.00 . . . . . . . 114 GLY H . 52287 1 344 . 1 . 1 114 114 GLY CA C 13 46.042 0.00 . . . . . . . 114 GLY CA . 52287 1 345 . 1 . 1 114 114 GLY N N 15 116.300 0.00 . . . . . . . 114 GLY N . 52287 1 stop_ save_