data_50702 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50702 _Entry.Title ; Degron-tagged Ig2D5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-08 _Entry.Accession_date 2021-01-08 _Entry.Last_release_date 2021-01-12 _Entry.Original_release_date 2021-01-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Degron-tagged Ig2D5 is a chimeric protein: Sul20 (the C-terminal 20 residues of SulA; namely Sul20) is appended to the C terminus of a protein substrate Ig2D5 (domains 5 of the gelation factor from Dictyostelium discoideum. ; _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 Shiou-Ru Tzeng . . . . 50702 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50702 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 215 50702 '15N chemical shifts' 115 50702 '1H chemical shifts' 115 50702 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-05-18 . original BMRB . 50702 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50698 'Domains 5 of the gelation factor from Dictyostelium discoideum' 50702 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50702 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33929321 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular insights into substrate recognition and discrimination by the N-terminal domain of Lon AAA+ protease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev elife _Citation.Journal_name_full . _Citation.Journal_volume 10 _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 e64056 _Citation.Page_last e64056 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shiou-Ru Tzeng S. R. . . 50702 1 2 Yin-Chu Tseng Y. C. . . 50702 1 3 Chien-Chu Lin C. C. . . 50702 1 4 Chia-Ying Hsu C. Y. . . 50702 1 5 Shing-Jong Huang S. J. . . 50702 1 6 Yi-Ting Kuo Y. T. . . 50702 1 7 Chung-I Chang C. I. . . 50702 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50702 _Assembly.ID 1 _Assembly.Name 'Degron tag Sul20' _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 'Degron tag Sul20' 1 $entity_1 . . yes native no no . . . 50702 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50702 _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 ; GHMTVKPAPSAEHSYAEGEG LVKVFDNAPAEFTIFAVDTK GVARTDGGDPFEVAINGPDG LVVDAKVTDNNDGTYGVVYD APVEGNYNVNVTLRGNPIKN MPIDVKCIEGASSHATRQLS GLKIHSNLYH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; A degron-tagged Ig2D5 is a chimeric protein: Sul20 (the C-terminal 20 residues of SulA; namely Sul20) is appended to the C terminus of a protein substrate Ig2D5 (domains 5 of the gelation factor from Dictyostelium discoideum. The sequence of Ig2D5: GHMTVKPAPSAEHSYAEGEGLVKVFDNAPAEFTIFAVDTKGVARTDGGDPFEVAINGPDGLVVDAKVTDNNDGTYGVVYDAPVEGNYNVNVTLRGNPIKNMPIDVKCIEG The sequence of Sul20: ASSHATRQLSGLKIHSNLYH ; _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 130 _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 . 50702 1 2 . HIS . 50702 1 3 . MET . 50702 1 4 . THR . 50702 1 5 . VAL . 50702 1 6 . LYS . 50702 1 7 . PRO . 50702 1 8 . ALA . 50702 1 9 . PRO . 50702 1 10 . SER . 50702 1 11 . ALA . 50702 1 12 . GLU . 50702 1 13 . HIS . 50702 1 14 . SER . 50702 1 15 . TYR . 50702 1 16 . ALA . 50702 1 17 . GLU . 50702 1 18 . GLY . 50702 1 19 . GLU . 50702 1 20 . GLY . 50702 1 21 . LEU . 50702 1 22 . VAL . 50702 1 23 . LYS . 50702 1 24 . VAL . 50702 1 25 . PHE . 50702 1 26 . ASP . 50702 1 27 . ASN . 50702 1 28 . ALA . 50702 1 29 . PRO . 50702 1 30 . ALA . 50702 1 31 . GLU . 50702 1 32 . PHE . 50702 1 33 . THR . 50702 1 34 . ILE . 50702 1 35 . PHE . 50702 1 36 . ALA . 50702 1 37 . VAL . 50702 1 38 . ASP . 50702 1 39 . THR . 50702 1 40 . LYS . 50702 1 41 . GLY . 50702 1 42 . VAL . 50702 1 43 . ALA . 50702 1 44 . ARG . 50702 1 45 . THR . 50702 1 46 . ASP . 50702 1 47 . GLY . 50702 1 48 . GLY . 50702 1 49 . ASP . 50702 1 50 . PRO . 50702 1 51 . PHE . 50702 1 52 . GLU . 50702 1 53 . VAL . 50702 1 54 . ALA . 50702 1 55 . ILE . 50702 1 56 . ASN . 50702 1 57 . GLY . 50702 1 58 . PRO . 50702 1 59 . ASP . 50702 1 60 . GLY . 50702 1 61 . LEU . 50702 1 62 . VAL . 50702 1 63 . VAL . 50702 1 64 . ASP . 50702 1 65 . ALA . 50702 1 66 . LYS . 50702 1 67 . VAL . 50702 1 68 . THR . 50702 1 69 . ASP . 50702 1 70 . ASN . 50702 1 71 . ASN . 50702 1 72 . ASP . 50702 1 73 . GLY . 50702 1 74 . THR . 50702 1 75 . TYR . 50702 1 76 . GLY . 50702 1 77 . VAL . 50702 1 78 . VAL . 50702 1 79 . TYR . 50702 1 80 . ASP . 50702 1 81 . ALA . 50702 1 82 . PRO . 50702 1 83 . VAL . 50702 1 84 . GLU . 50702 1 85 . GLY . 50702 1 86 . ASN . 50702 1 87 . TYR . 50702 1 88 . ASN . 50702 1 89 . VAL . 50702 1 90 . ASN . 50702 1 91 . VAL . 50702 1 92 . THR . 50702 1 93 . LEU . 50702 1 94 . ARG . 50702 1 95 . GLY . 50702 1 96 . ASN . 50702 1 97 . PRO . 50702 1 98 . ILE . 50702 1 99 . LYS . 50702 1 100 . ASN . 50702 1 101 . MET . 50702 1 102 . PRO . 50702 1 103 . ILE . 50702 1 104 . ASP . 50702 1 105 . VAL . 50702 1 106 . LYS . 50702 1 107 . CYS . 50702 1 108 . ILE . 50702 1 109 . GLU . 50702 1 110 . GLY . 50702 1 111 . ALA . 50702 1 112 . SER . 50702 1 113 . SER . 50702 1 114 . HIS . 50702 1 115 . ALA . 50702 1 116 . THR . 50702 1 117 . ARG . 50702 1 118 . GLN . 50702 1 119 . LEU . 50702 1 120 . SER . 50702 1 121 . GLY . 50702 1 122 . LEU . 50702 1 123 . LYS . 50702 1 124 . ILE . 50702 1 125 . HIS . 50702 1 126 . SER . 50702 1 127 . ASN . 50702 1 128 . LEU . 50702 1 129 . TYR . 50702 1 130 . HIS . 50702 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 50702 1 . HIS 2 2 50702 1 . MET 3 3 50702 1 . THR 4 4 50702 1 . VAL 5 5 50702 1 . LYS 6 6 50702 1 . PRO 7 7 50702 1 . ALA 8 8 50702 1 . PRO 9 9 50702 1 . SER 10 10 50702 1 . ALA 11 11 50702 1 . GLU 12 12 50702 1 . HIS 13 13 50702 1 . SER 14 14 50702 1 . TYR 15 15 50702 1 . ALA 16 16 50702 1 . GLU 17 17 50702 1 . GLY 18 18 50702 1 . GLU 19 19 50702 1 . GLY 20 20 50702 1 . LEU 21 21 50702 1 . VAL 22 22 50702 1 . LYS 23 23 50702 1 . VAL 24 24 50702 1 . PHE 25 25 50702 1 . ASP 26 26 50702 1 . ASN 27 27 50702 1 . ALA 28 28 50702 1 . PRO 29 29 50702 1 . ALA 30 30 50702 1 . GLU 31 31 50702 1 . PHE 32 32 50702 1 . THR 33 33 50702 1 . ILE 34 34 50702 1 . PHE 35 35 50702 1 . ALA 36 36 50702 1 . VAL 37 37 50702 1 . ASP 38 38 50702 1 . THR 39 39 50702 1 . LYS 40 40 50702 1 . GLY 41 41 50702 1 . VAL 42 42 50702 1 . ALA 43 43 50702 1 . ARG 44 44 50702 1 . THR 45 45 50702 1 . ASP 46 46 50702 1 . GLY 47 47 50702 1 . GLY 48 48 50702 1 . ASP 49 49 50702 1 . PRO 50 50 50702 1 . PHE 51 51 50702 1 . GLU 52 52 50702 1 . VAL 53 53 50702 1 . ALA 54 54 50702 1 . ILE 55 55 50702 1 . ASN 56 56 50702 1 . GLY 57 57 50702 1 . PRO 58 58 50702 1 . ASP 59 59 50702 1 . GLY 60 60 50702 1 . LEU 61 61 50702 1 . VAL 62 62 50702 1 . VAL 63 63 50702 1 . ASP 64 64 50702 1 . ALA 65 65 50702 1 . LYS 66 66 50702 1 . VAL 67 67 50702 1 . THR 68 68 50702 1 . ASP 69 69 50702 1 . ASN 70 70 50702 1 . ASN 71 71 50702 1 . ASP 72 72 50702 1 . GLY 73 73 50702 1 . THR 74 74 50702 1 . TYR 75 75 50702 1 . GLY 76 76 50702 1 . VAL 77 77 50702 1 . VAL 78 78 50702 1 . TYR 79 79 50702 1 . ASP 80 80 50702 1 . ALA 81 81 50702 1 . PRO 82 82 50702 1 . VAL 83 83 50702 1 . GLU 84 84 50702 1 . GLY 85 85 50702 1 . ASN 86 86 50702 1 . TYR 87 87 50702 1 . ASN 88 88 50702 1 . VAL 89 89 50702 1 . ASN 90 90 50702 1 . VAL 91 91 50702 1 . THR 92 92 50702 1 . LEU 93 93 50702 1 . ARG 94 94 50702 1 . GLY 95 95 50702 1 . ASN 96 96 50702 1 . PRO 97 97 50702 1 . ILE 98 98 50702 1 . LYS 99 99 50702 1 . ASN 100 100 50702 1 . MET 101 101 50702 1 . PRO 102 102 50702 1 . ILE 103 103 50702 1 . ASP 104 104 50702 1 . VAL 105 105 50702 1 . LYS 106 106 50702 1 . CYS 107 107 50702 1 . ILE 108 108 50702 1 . GLU 109 109 50702 1 . GLY 110 110 50702 1 . ALA 111 111 50702 1 . SER 112 112 50702 1 . SER 113 113 50702 1 . HIS 114 114 50702 1 . ALA 115 115 50702 1 . THR 116 116 50702 1 . ARG 117 117 50702 1 . GLN 118 118 50702 1 . LEU 119 119 50702 1 . SER 120 120 50702 1 . GLY 121 121 50702 1 . LEU 122 122 50702 1 . LYS 123 123 50702 1 . ILE 124 124 50702 1 . HIS 125 125 50702 1 . SER 126 126 50702 1 . ASN 127 127 50702 1 . LEU 128 128 50702 1 . TYR 129 129 50702 1 . HIS 130 130 50702 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 50702 _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 . 44689 organism . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . . . 50702 1 2 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50702 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 50702 _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_Ig2D5_S20 . . . 50702 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50702 _Sample.ID 1 _Sample.Name 'A degron-tagged Ig2D5' _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 'A degron-tagged Ig2D5' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 50702 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 50702 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Degron-tagged Ig2D5' _Sample_condition_list.Details ; Degron-tagged Ig2D5 is a chimeric protein: Sul20 (the C-terminal 20 residues of SulA; namely Sul20) is appended to the C terminus of a protein substrate Ig2D5 (domains 5 of the gelation factor from Dictyostelium discoideum. ; 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' 0.05 . M 50702 1 pH 6.5 . pH 50702 1 pressure 1 . atm 50702 1 temperature 305 . K 50702 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50702 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50702 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50702 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVIII-800' _NMR_spectrometer.Details '800MHz Super-Conducting Magnet - 18.79 Tesla' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII-800 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50702 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50702 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50702 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50702 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50702 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 50702 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 50702 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50702 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 50702 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 50702 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Degron-tagged Ig2D5' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50702 1 2 '3D HNCO' . . . 50702 1 3 '3D HNCA' . . . 50702 1 4 '3D HNCACB' . . . 50702 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 . . 50702 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 4 4 THR H H 1 8.242 0.020 . 1 . . . . . 4 THR H . 50702 1 2 . 1 . 1 4 4 THR CA C 13 62.035 0.3 . 1 . . . . . 4 THR CA . 50702 1 3 . 1 . 1 4 4 THR CB C 13 69.651 0.3 . 1 . . . . . 4 THR CB . 50702 1 4 . 1 . 1 4 4 THR N N 15 117.342 0.3 . 1 . . . . . 4 THR N . 50702 1 5 . 1 . 1 5 5 VAL H H 1 8.170 0.020 . 1 . . . . . 5 VAL H . 50702 1 6 . 1 . 1 5 5 VAL CA C 13 61.981 0.3 . 1 . . . . . 5 VAL CA . 50702 1 7 . 1 . 1 5 5 VAL CB C 13 32.777 0.3 . 1 . . . . . 5 VAL CB . 50702 1 8 . 1 . 1 5 5 VAL N N 15 123.588 0.3 . 1 . . . . . 5 VAL N . 50702 1 9 . 1 . 1 6 6 LYS H H 1 8.337 0.020 . 1 . . . . . 6 LYS H . 50702 1 10 . 1 . 1 6 6 LYS CA C 13 54.226 0.3 . 1 . . . . . 6 LYS CA . 50702 1 11 . 1 . 1 6 6 LYS CB C 13 32.591 0.3 . 1 . . . . . 6 LYS CB . 50702 1 12 . 1 . 1 6 6 LYS N N 15 127.534 0.3 . 1 . . . . . 6 LYS N . 50702 1 13 . 1 . 1 8 8 ALA H H 1 8.451 0.020 . 1 . . . . . 8 ALA H . 50702 1 14 . 1 . 1 8 8 ALA CA C 13 48.975 0.3 . 1 . . . . . 8 ALA CA . 50702 1 15 . 1 . 1 8 8 ALA CB C 13 19.010 0.3 . 1 . . . . . 8 ALA CB . 50702 1 16 . 1 . 1 8 8 ALA N N 15 125.446 0.3 . 1 . . . . . 8 ALA N . 50702 1 17 . 1 . 1 10 10 SER H H 1 9.058 0.020 . 1 . . . . . 10 SER H . 50702 1 18 . 1 . 1 10 10 SER CA C 13 54.848 0.3 . 1 . . . . . 10 SER CA . 50702 1 19 . 1 . 1 10 10 SER CB C 13 64.757 0.3 . 1 . . . . . 10 SER CB . 50702 1 20 . 1 . 1 10 10 SER N N 15 112.865 0.3 . 1 . . . . . 10 SER N . 50702 1 21 . 1 . 1 12 12 GLU H H 1 7.926 0.020 . 1 . . . . . 12 GLU H . 50702 1 22 . 1 . 1 12 12 GLU CA C 13 58.549 0.3 . 1 . . . . . 12 GLU CA . 50702 1 23 . 1 . 1 12 12 GLU CB C 13 29.314 0.3 . 1 . . . . . 12 GLU CB . 50702 1 24 . 1 . 1 12 12 GLU N N 15 113.686 0.3 . 1 . . . . . 12 GLU N . 50702 1 25 . 1 . 1 13 13 HIS H H 1 7.040 0.020 . 1 . . . . . 13 HIS H . 50702 1 26 . 1 . 1 13 13 HIS CA C 13 56.605 0.3 . 1 . . . . . 13 HIS CA . 50702 1 27 . 1 . 1 13 13 HIS CB C 13 33.652 0.3 . 1 . . . . . 13 HIS CB . 50702 1 28 . 1 . 1 13 13 HIS N N 15 111.524 0.3 . 1 . . . . . 13 HIS N . 50702 1 29 . 1 . 1 14 14 SER H H 1 7.563 0.020 . 1 . . . . . 14 SER H . 50702 1 30 . 1 . 1 14 14 SER CA C 13 61.724 0.3 . 1 . . . . . 14 SER CA . 50702 1 31 . 1 . 1 14 14 SER CB C 13 64.408 0.3 . 1 . . . . . 14 SER CB . 50702 1 32 . 1 . 1 14 14 SER N N 15 117.217 0.3 . 1 . . . . . 14 SER N . 50702 1 33 . 1 . 1 15 15 TYR H H 1 8.358 0.020 . 1 . . . . . 15 TYR H . 50702 1 34 . 1 . 1 15 15 TYR CA C 13 56.226 0.3 . 1 . . . . . 15 TYR CA . 50702 1 35 . 1 . 1 15 15 TYR CB C 13 40.562 0.3 . 1 . . . . . 15 TYR CB . 50702 1 36 . 1 . 1 15 15 TYR N N 15 116.639 0.3 . 1 . . . . . 15 TYR N . 50702 1 37 . 1 . 1 17 17 GLU H H 1 9.162 0.020 . 1 . . . . . 17 GLU H . 50702 1 38 . 1 . 1 17 17 GLU CA C 13 55.973 0.3 . 1 . . . . . 17 GLU CA . 50702 1 39 . 1 . 1 17 17 GLU CB C 13 35.248 0.3 . 1 . . . . . 17 GLU CB . 50702 1 40 . 1 . 1 17 17 GLU N N 15 117.232 0.3 . 1 . . . . . 17 GLU N . 50702 1 41 . 1 . 1 18 18 GLY H H 1 8.785 0.020 . 1 . . . . . 18 GLY H . 50702 1 42 . 1 . 1 18 18 GLY CA C 13 45.096 0.3 . 1 . . . . . 18 GLY CA . 50702 1 43 . 1 . 1 18 18 GLY N N 15 112.387 0.3 . 1 . . . . . 18 GLY N . 50702 1 44 . 1 . 1 19 19 GLU H H 1 9.102 0.020 . 1 . . . . . 19 GLU H . 50702 1 45 . 1 . 1 19 19 GLU CA C 13 59.837 0.3 . 1 . . . . . 19 GLU CA . 50702 1 46 . 1 . 1 19 19 GLU CB C 13 29.375 0.3 . 1 . . . . . 19 GLU CB . 50702 1 47 . 1 . 1 19 19 GLU N N 15 121.764 0.3 . 1 . . . . . 19 GLU N . 50702 1 48 . 1 . 1 20 20 GLY H H 1 9.086 0.020 . 1 . . . . . 20 GLY H . 50702 1 49 . 1 . 1 20 20 GLY CA C 13 46.343 0.3 . 1 . . . . . 20 GLY CA . 50702 1 50 . 1 . 1 20 20 GLY N N 15 104.410 0.3 . 1 . . . . . 20 GLY N . 50702 1 51 . 1 . 1 21 21 LEU H H 1 7.583 0.020 . 1 . . . . . 21 LEU H . 50702 1 52 . 1 . 1 21 21 LEU CA C 13 53.721 0.3 . 1 . . . . . 21 LEU CA . 50702 1 53 . 1 . 1 21 21 LEU CB C 13 41.637 0.3 . 1 . . . . . 21 LEU CB . 50702 1 54 . 1 . 1 21 21 LEU N N 15 115.532 0.3 . 1 . . . . . 21 LEU N . 50702 1 55 . 1 . 1 22 22 VAL H H 1 7.973 0.020 . 1 . . . . . 22 VAL H . 50702 1 56 . 1 . 1 22 22 VAL CA C 13 64.478 0.3 . 1 . . . . . 22 VAL CA . 50702 1 57 . 1 . 1 22 22 VAL CB C 13 34.966 0.3 . 1 . . . . . 22 VAL CB . 50702 1 58 . 1 . 1 22 22 VAL N N 15 119.738 0.3 . 1 . . . . . 22 VAL N . 50702 1 59 . 1 . 1 23 23 LYS H H 1 8.374 0.020 . 1 . . . . . 23 LYS H . 50702 1 60 . 1 . 1 23 23 LYS CA C 13 56.610 0.3 . 1 . . . . . 23 LYS CA . 50702 1 61 . 1 . 1 23 23 LYS CB C 13 33.632 0.3 . 1 . . . . . 23 LYS CB . 50702 1 62 . 1 . 1 23 23 LYS N N 15 122.529 0.3 . 1 . . . . . 23 LYS N . 50702 1 63 . 1 . 1 24 24 VAL H H 1 7.805 0.020 . 1 . . . . . 24 VAL H . 50702 1 64 . 1 . 1 24 24 VAL CA C 13 60.203 0.3 . 1 . . . . . 24 VAL CA . 50702 1 65 . 1 . 1 24 24 VAL CB C 13 34.728 0.3 . 1 . . . . . 24 VAL CB . 50702 1 66 . 1 . 1 24 24 VAL N N 15 123.883 0.3 . 1 . . . . . 24 VAL N . 50702 1 67 . 1 . 1 25 25 PHE H H 1 9.070 0.020 . 1 . . . . . 25 PHE H . 50702 1 68 . 1 . 1 25 25 PHE CA C 13 55.480 0.3 . 1 . . . . . 25 PHE CA . 50702 1 69 . 1 . 1 25 25 PHE CB C 13 42.788 0.3 . 1 . . . . . 25 PHE CB . 50702 1 70 . 1 . 1 25 25 PHE N N 15 123.178 0.3 . 1 . . . . . 25 PHE N . 50702 1 71 . 1 . 1 26 26 ASP H H 1 8.251 0.020 . 1 . . . . . 26 ASP H . 50702 1 72 . 1 . 1 26 26 ASP CA C 13 53.974 0.3 . 1 . . . . . 26 ASP CA . 50702 1 73 . 1 . 1 26 26 ASP CB C 13 39.897 0.3 . 1 . . . . . 26 ASP CB . 50702 1 74 . 1 . 1 26 26 ASP N N 15 118.495 0.3 . 1 . . . . . 26 ASP N . 50702 1 75 . 1 . 1 27 27 ASN H H 1 7.805 0.020 . 1 . . . . . 27 ASN H . 50702 1 76 . 1 . 1 27 27 ASN CA C 13 51.956 0.3 . 1 . . . . . 27 ASN CA . 50702 1 77 . 1 . 1 27 27 ASN CB C 13 37.968 0.3 . 1 . . . . . 27 ASN CB . 50702 1 78 . 1 . 1 27 27 ASN N N 15 115.116 0.3 . 1 . . . . . 27 ASN N . 50702 1 79 . 1 . 1 28 28 ALA H H 1 7.462 0.020 . 1 . . . . . 28 ALA H . 50702 1 80 . 1 . 1 28 28 ALA CA C 13 50.190 0.3 . 1 . . . . . 28 ALA CA . 50702 1 81 . 1 . 1 28 28 ALA CB C 13 20.358 0.3 . 1 . . . . . 28 ALA CB . 50702 1 82 . 1 . 1 28 28 ALA N N 15 121.968 0.3 . 1 . . . . . 28 ALA N . 50702 1 83 . 1 . 1 30 30 ALA H H 1 8.814 0.020 . 1 . . . . . 30 ALA H . 50702 1 84 . 1 . 1 30 30 ALA CA C 13 50.473 0.3 . 1 . . . . . 30 ALA CA . 50702 1 85 . 1 . 1 30 30 ALA CB C 13 20.603 0.3 . 1 . . . . . 30 ALA CB . 50702 1 86 . 1 . 1 30 30 ALA N N 15 128.247 0.3 . 1 . . . . . 30 ALA N . 50702 1 87 . 1 . 1 31 31 GLU H H 1 8.314 0.020 . 1 . . . . . 31 GLU H . 50702 1 88 . 1 . 1 31 31 GLU CA C 13 54.237 0.3 . 1 . . . . . 31 GLU CA . 50702 1 89 . 1 . 1 31 31 GLU CB C 13 33.908 0.3 . 1 . . . . . 31 GLU CB . 50702 1 90 . 1 . 1 31 31 GLU N N 15 118.037 0.3 . 1 . . . . . 31 GLU N . 50702 1 91 . 1 . 1 32 32 PHE H H 1 8.785 0.020 . 1 . . . . . 32 PHE H . 50702 1 92 . 1 . 1 32 32 PHE CA C 13 57.225 0.3 . 1 . . . . . 32 PHE CA . 50702 1 93 . 1 . 1 32 32 PHE CB C 13 40.025 0.3 . 1 . . . . . 32 PHE CB . 50702 1 94 . 1 . 1 32 32 PHE N N 15 116.530 0.3 . 1 . . . . . 32 PHE N . 50702 1 95 . 1 . 1 33 33 THR H H 1 8.849 0.020 . 1 . . . . . 33 THR H . 50702 1 96 . 1 . 1 33 33 THR CA C 13 61.236 0.3 . 1 . . . . . 33 THR CA . 50702 1 97 . 1 . 1 33 33 THR CB C 13 71.675 0.3 . 1 . . . . . 33 THR CB . 50702 1 98 . 1 . 1 33 33 THR N N 15 116.740 0.3 . 1 . . . . . 33 THR N . 50702 1 99 . 1 . 1 34 34 ILE H H 1 9.273 0.020 . 1 . . . . . 34 ILE H . 50702 1 100 . 1 . 1 34 34 ILE CA C 13 60.797 0.3 . 1 . . . . . 34 ILE CA . 50702 1 101 . 1 . 1 34 34 ILE CB C 13 39.742 0.3 . 1 . . . . . 34 ILE CB . 50702 1 102 . 1 . 1 34 34 ILE N N 15 125.281 0.3 . 1 . . . . . 34 ILE N . 50702 1 103 . 1 . 1 35 35 PHE H H 1 9.335 0.020 . 1 . . . . . 35 PHE H . 50702 1 104 . 1 . 1 35 35 PHE CA C 13 57.311 0.3 . 1 . . . . . 35 PHE CA . 50702 1 105 . 1 . 1 35 35 PHE CB C 13 38.425 0.3 . 1 . . . . . 35 PHE CB . 50702 1 106 . 1 . 1 35 35 PHE N N 15 127.938 0.3 . 1 . . . . . 35 PHE N . 50702 1 107 . 1 . 1 36 36 ALA H H 1 8.588 0.020 . 1 . . . . . 36 ALA H . 50702 1 108 . 1 . 1 36 36 ALA CA C 13 51.795 0.3 . 1 . . . . . 36 ALA CA . 50702 1 109 . 1 . 1 36 36 ALA CB C 13 21.131 0.3 . 1 . . . . . 36 ALA CB . 50702 1 110 . 1 . 1 36 36 ALA N N 15 124.829 0.3 . 1 . . . . . 36 ALA N . 50702 1 111 . 1 . 1 37 37 VAL H H 1 9.205 0.020 . 1 . . . . . 37 VAL H . 50702 1 112 . 1 . 1 37 37 VAL CA C 13 61.537 0.3 . 1 . . . . . 37 VAL CA . 50702 1 113 . 1 . 1 37 37 VAL CB C 13 35.090 0.3 . 1 . . . . . 37 VAL CB . 50702 1 114 . 1 . 1 37 37 VAL N N 15 127.450 0.3 . 1 . . . . . 37 VAL N . 50702 1 115 . 1 . 1 38 38 ASP H H 1 8.959 0.020 . 1 . . . . . 38 ASP H . 50702 1 116 . 1 . 1 38 38 ASP CA C 13 53.834 0.3 . 1 . . . . . 38 ASP CA . 50702 1 117 . 1 . 1 38 38 ASP CB C 13 42.660 0.3 . 1 . . . . . 38 ASP CB . 50702 1 118 . 1 . 1 38 38 ASP N N 15 127.022 0.3 . 1 . . . . . 38 ASP N . 50702 1 119 . 1 . 1 39 39 THR H H 1 7.497 0.020 . 1 . . . . . 39 THR H . 50702 1 120 . 1 . 1 39 39 THR CA C 13 63.984 0.3 . 1 . . . . . 39 THR CA . 50702 1 121 . 1 . 1 39 39 THR CB C 13 69.001 0.3 . 1 . . . . . 39 THR CB . 50702 1 122 . 1 . 1 39 39 THR N N 15 104.641 0.3 . 1 . . . . . 39 THR N . 50702 1 123 . 1 . 1 40 40 LYS H H 1 8.891 0.020 . 1 . . . . . 40 LYS H . 50702 1 124 . 1 . 1 40 40 LYS CA C 13 54.986 0.3 . 1 . . . . . 40 LYS CA . 50702 1 125 . 1 . 1 40 40 LYS CB C 13 31.802 0.3 . 1 . . . . . 40 LYS CB . 50702 1 126 . 1 . 1 40 40 LYS N N 15 121.901 0.3 . 1 . . . . . 40 LYS N . 50702 1 127 . 1 . 1 41 41 GLY H H 1 8.037 0.020 . 1 . . . . . 41 GLY H . 50702 1 128 . 1 . 1 41 41 GLY CA C 13 45.218 0.3 . 1 . . . . . 41 GLY CA . 50702 1 129 . 1 . 1 41 41 GLY N N 15 108.326 0.3 . 1 . . . . . 41 GLY N . 50702 1 130 . 1 . 1 42 42 VAL H H 1 8.376 0.020 . 1 . . . . . 42 VAL H . 50702 1 131 . 1 . 1 42 42 VAL CA C 13 61.733 0.3 . 1 . . . . . 42 VAL CA . 50702 1 132 . 1 . 1 42 42 VAL CB C 13 31.775 0.3 . 1 . . . . . 42 VAL CB . 50702 1 133 . 1 . 1 42 42 VAL N N 15 125.229 0.3 . 1 . . . . . 42 VAL N . 50702 1 134 . 1 . 1 43 43 ALA H H 1 8.785 0.020 . 1 . . . . . 43 ALA H . 50702 1 135 . 1 . 1 43 43 ALA CA C 13 53.970 0.3 . 1 . . . . . 43 ALA CA . 50702 1 136 . 1 . 1 43 43 ALA CB C 13 18.038 0.3 . 1 . . . . . 43 ALA CB . 50702 1 137 . 1 . 1 43 43 ALA N N 15 131.439 0.3 . 1 . . . . . 43 ALA N . 50702 1 138 . 1 . 1 44 44 ARG H H 1 8.639 0.020 . 1 . . . . . 44 ARG H . 50702 1 139 . 1 . 1 44 44 ARG CA C 13 55.231 0.3 . 1 . . . . . 44 ARG CA . 50702 1 140 . 1 . 1 44 44 ARG CB C 13 29.148 0.3 . 1 . . . . . 44 ARG CB . 50702 1 141 . 1 . 1 44 44 ARG N N 15 123.942 0.3 . 1 . . . . . 44 ARG N . 50702 1 142 . 1 . 1 45 45 THR H H 1 8.324 0.020 . 1 . . . . . 45 THR H . 50702 1 143 . 1 . 1 45 45 THR CA C 13 61.356 0.3 . 1 . . . . . 45 THR CA . 50702 1 144 . 1 . 1 45 45 THR CB C 13 69.270 0.3 . 1 . . . . . 45 THR CB . 50702 1 145 . 1 . 1 45 45 THR N N 15 106.902 0.3 . 1 . . . . . 45 THR N . 50702 1 146 . 1 . 1 46 46 ASP H H 1 7.452 0.020 . 1 . . . . . 46 ASP H . 50702 1 147 . 1 . 1 46 46 ASP CA C 13 52.334 0.3 . 1 . . . . . 46 ASP CA . 50702 1 148 . 1 . 1 46 46 ASP CB C 13 41.387 0.3 . 1 . . . . . 46 ASP CB . 50702 1 149 . 1 . 1 46 46 ASP N N 15 118.846 0.3 . 1 . . . . . 46 ASP N . 50702 1 150 . 1 . 1 47 47 GLY H H 1 8.020 0.020 . 1 . . . . . 47 GLY H . 50702 1 151 . 1 . 1 47 47 GLY CA C 13 45.090 0.3 . 1 . . . . . 47 GLY CA . 50702 1 152 . 1 . 1 47 47 GLY N N 15 103.979 0.3 . 1 . . . . . 47 GLY N . 50702 1 153 . 1 . 1 48 48 GLY H H 1 9.853 0.020 . 1 . . . . . 48 GLY H . 50702 1 154 . 1 . 1 48 48 GLY CA C 13 45.092 0.3 . 1 . . . . . 48 GLY CA . 50702 1 155 . 1 . 1 48 48 GLY N N 15 108.538 0.3 . 1 . . . . . 48 GLY N . 50702 1 156 . 1 . 1 49 49 ASP H H 1 8.569 0.020 . 1 . . . . . 49 ASP H . 50702 1 157 . 1 . 1 49 49 ASP CA C 13 51.979 0.3 . 1 . . . . . 49 ASP CA . 50702 1 158 . 1 . 1 49 49 ASP CB C 13 41.351 0.3 . 1 . . . . . 49 ASP CB . 50702 1 159 . 1 . 1 49 49 ASP N N 15 121.856 0.3 . 1 . . . . . 49 ASP N . 50702 1 160 . 1 . 1 51 51 PHE H H 1 7.620 0.020 . 1 . . . . . 51 PHE H . 50702 1 161 . 1 . 1 51 51 PHE CA C 13 59.603 0.3 . 1 . . . . . 51 PHE CA . 50702 1 162 . 1 . 1 51 51 PHE CB C 13 40.384 0.3 . 1 . . . . . 51 PHE CB . 50702 1 163 . 1 . 1 51 51 PHE N N 15 123.055 0.3 . 1 . . . . . 51 PHE N . 50702 1 164 . 1 . 1 52 52 GLU H H 1 8.941 0.020 . 1 . . . . . 52 GLU H . 50702 1 165 . 1 . 1 52 52 GLU CA C 13 54.967 0.3 . 1 . . . . . 52 GLU CA . 50702 1 166 . 1 . 1 52 52 GLU CB C 13 32.821 0.3 . 1 . . . . . 52 GLU CB . 50702 1 167 . 1 . 1 52 52 GLU N N 15 121.523 0.3 . 1 . . . . . 52 GLU N . 50702 1 168 . 1 . 1 53 53 VAL H H 1 8.769 0.020 . 1 . . . . . 53 VAL H . 50702 1 169 . 1 . 1 53 53 VAL CA C 13 61.328 0.3 . 1 . . . . . 53 VAL CA . 50702 1 170 . 1 . 1 53 53 VAL CB C 13 33.902 0.3 . 1 . . . . . 53 VAL CB . 50702 1 171 . 1 . 1 53 53 VAL N N 15 120.944 0.3 . 1 . . . . . 53 VAL N . 50702 1 172 . 1 . 1 54 54 ALA H H 1 8.547 0.020 . 1 . . . . . 54 ALA H . 50702 1 173 . 1 . 1 54 54 ALA CA C 13 50.724 0.3 . 1 . . . . . 54 ALA CA . 50702 1 174 . 1 . 1 54 54 ALA CB C 13 21.373 0.3 . 1 . . . . . 54 ALA CB . 50702 1 175 . 1 . 1 54 54 ALA N N 15 131.448 0.3 . 1 . . . . . 54 ALA N . 50702 1 176 . 1 . 1 55 55 ILE H H 1 9.048 0.020 . 1 . . . . . 55 ILE H . 50702 1 177 . 1 . 1 55 55 ILE CA C 13 60.233 0.3 . 1 . . . . . 55 ILE CA . 50702 1 178 . 1 . 1 55 55 ILE CB C 13 40.009 0.3 . 1 . . . . . 55 ILE CB . 50702 1 179 . 1 . 1 55 55 ILE N N 15 124.603 0.3 . 1 . . . . . 55 ILE N . 50702 1 180 . 1 . 1 56 56 ASN H H 1 8.660 0.020 . 1 . . . . . 56 ASN H . 50702 1 181 . 1 . 1 56 56 ASN CA C 13 52.092 0.3 . 1 . . . . . 56 ASN CA . 50702 1 182 . 1 . 1 56 56 ASN CB C 13 41.880 0.3 . 1 . . . . . 56 ASN CB . 50702 1 183 . 1 . 1 56 56 ASN N N 15 126.002 0.3 . 1 . . . . . 56 ASN N . 50702 1 184 . 1 . 1 57 57 GLY H H 1 9.281 0.020 . 1 . . . . . 57 GLY H . 50702 1 185 . 1 . 1 57 57 GLY CA C 13 44.718 0.3 . 1 . . . . . 57 GLY CA . 50702 1 186 . 1 . 1 57 57 GLY N N 15 112.072 0.3 . 1 . . . . . 57 GLY N . 50702 1 187 . 1 . 1 59 59 ASP H H 1 8.830 0.020 . 1 . . . . . 59 ASP H . 50702 1 188 . 1 . 1 59 59 ASP CA C 13 54.999 0.3 . 1 . . . . . 59 ASP CA . 50702 1 189 . 1 . 1 59 59 ASP CB C 13 39.759 0.3 . 1 . . . . . 59 ASP CB . 50702 1 190 . 1 . 1 59 59 ASP N N 15 119.544 0.3 . 1 . . . . . 59 ASP N . 50702 1 191 . 1 . 1 60 60 GLY H H 1 8.091 0.020 . 1 . . . . . 60 GLY H . 50702 1 192 . 1 . 1 60 60 GLY CA C 13 45.593 0.3 . 1 . . . . . 60 GLY CA . 50702 1 193 . 1 . 1 60 60 GLY N N 15 104.761 0.3 . 1 . . . . . 60 GLY N . 50702 1 194 . 1 . 1 61 61 LEU H H 1 7.090 0.020 . 1 . . . . . 61 LEU H . 50702 1 195 . 1 . 1 61 61 LEU CA C 13 55.727 0.3 . 1 . . . . . 61 LEU CA . 50702 1 196 . 1 . 1 61 61 LEU CB C 13 43.474 0.3 . 1 . . . . . 61 LEU CB . 50702 1 197 . 1 . 1 61 61 LEU N N 15 123.056 0.3 . 1 . . . . . 61 LEU N . 50702 1 198 . 1 . 1 62 62 VAL H H 1 8.518 0.020 . 1 . . . . . 62 VAL H . 50702 1 199 . 1 . 1 62 62 VAL CA C 13 62.931 0.3 . 1 . . . . . 62 VAL CA . 50702 1 200 . 1 . 1 62 62 VAL CB C 13 32.569 0.3 . 1 . . . . . 62 VAL CB . 50702 1 201 . 1 . 1 62 62 VAL N N 15 128.691 0.3 . 1 . . . . . 62 VAL N . 50702 1 202 . 1 . 1 63 63 VAL H H 1 7.987 0.020 . 1 . . . . . 63 VAL H . 50702 1 203 . 1 . 1 63 63 VAL CA C 13 61.240 0.3 . 1 . . . . . 63 VAL CA . 50702 1 204 . 1 . 1 63 63 VAL CB C 13 33.626 0.3 . 1 . . . . . 63 VAL CB . 50702 1 205 . 1 . 1 63 63 VAL N N 15 128.604 0.3 . 1 . . . . . 63 VAL N . 50702 1 206 . 1 . 1 64 64 ASP H H 1 8.833 0.020 . 1 . . . . . 64 ASP H . 50702 1 207 . 1 . 1 64 64 ASP CA C 13 53.692 0.3 . 1 . . . . . 64 ASP CA . 50702 1 208 . 1 . 1 64 64 ASP CB C 13 41.158 0.3 . 1 . . . . . 64 ASP CB . 50702 1 209 . 1 . 1 64 64 ASP N N 15 127.508 0.3 . 1 . . . . . 64 ASP N . 50702 1 210 . 1 . 1 65 65 ALA H H 1 8.625 0.020 . 1 . . . . . 65 ALA H . 50702 1 211 . 1 . 1 65 65 ALA CA C 13 50.943 0.3 . 1 . . . . . 65 ALA CA . 50702 1 212 . 1 . 1 65 65 ALA CB C 13 20.350 0.3 . 1 . . . . . 65 ALA CB . 50702 1 213 . 1 . 1 65 65 ALA N N 15 127.438 0.3 . 1 . . . . . 65 ALA N . 50702 1 214 . 1 . 1 66 66 LYS H H 1 8.779 0.020 . 1 . . . . . 66 LYS H . 50702 1 215 . 1 . 1 66 66 LYS CA C 13 55.516 0.3 . 1 . . . . . 66 LYS CA . 50702 1 216 . 1 . 1 66 66 LYS CB C 13 33.092 0.3 . 1 . . . . . 66 LYS CB . 50702 1 217 . 1 . 1 66 66 LYS N N 15 123.187 0.3 . 1 . . . . . 66 LYS N . 50702 1 218 . 1 . 1 67 67 VAL H H 1 8.782 0.020 . 1 . . . . . 67 VAL H . 50702 1 219 . 1 . 1 67 67 VAL CA C 13 61.340 0.3 . 1 . . . . . 67 VAL CA . 50702 1 220 . 1 . 1 67 67 VAL CB C 13 33.110 0.3 . 1 . . . . . 67 VAL CB . 50702 1 221 . 1 . 1 67 67 VAL N N 15 128.743 0.3 . 1 . . . . . 67 VAL N . 50702 1 222 . 1 . 1 68 68 THR H H 1 9.843 0.020 . 1 . . . . . 68 THR H . 50702 1 223 . 1 . 1 68 68 THR CA C 13 61.531 0.3 . 1 . . . . . 68 THR CA . 50702 1 224 . 1 . 1 68 68 THR CB C 13 70.609 0.3 . 1 . . . . . 68 THR CB . 50702 1 225 . 1 . 1 68 68 THR N N 15 126.330 0.3 . 1 . . . . . 68 THR N . 50702 1 226 . 1 . 1 69 69 ASP H H 1 8.783 0.020 . 1 . . . . . 69 ASP H . 50702 1 227 . 1 . 1 69 69 ASP CA C 13 53.352 0.3 . 1 . . . . . 69 ASP CA . 50702 1 228 . 1 . 1 69 69 ASP CB C 13 40.818 0.3 . 1 . . . . . 69 ASP CB . 50702 1 229 . 1 . 1 69 69 ASP N N 15 126.680 0.3 . 1 . . . . . 69 ASP N . 50702 1 230 . 1 . 1 70 70 ASN H H 1 7.407 0.020 . 1 . . . . . 70 ASN H . 50702 1 231 . 1 . 1 70 70 ASN CA C 13 54.091 0.3 . 1 . . . . . 70 ASN CA . 50702 1 232 . 1 . 1 70 70 ASN CB C 13 37.560 0.3 . 1 . . . . . 70 ASN CB . 50702 1 233 . 1 . 1 70 70 ASN N N 15 124.971 0.3 . 1 . . . . . 70 ASN N . 50702 1 234 . 1 . 1 71 71 ASN H H 1 9.432 0.020 . 1 . . . . . 71 ASN H . 50702 1 235 . 1 . 1 71 71 ASN CA C 13 54.341 0.3 . 1 . . . . . 71 ASN CA . 50702 1 236 . 1 . 1 71 71 ASN CB C 13 37.099 0.3 . 1 . . . . . 71 ASN CB . 50702 1 237 . 1 . 1 71 71 ASN N N 15 117.121 0.3 . 1 . . . . . 71 ASN N . 50702 1 238 . 1 . 1 72 72 ASP H H 1 7.733 0.020 . 1 . . . . . 72 ASP H . 50702 1 239 . 1 . 1 72 72 ASP CA C 13 52.721 0.3 . 1 . . . . . 72 ASP CA . 50702 1 240 . 1 . 1 72 72 ASP CB C 13 40.949 0.3 . 1 . . . . . 72 ASP CB . 50702 1 241 . 1 . 1 72 72 ASP N N 15 115.960 0.3 . 1 . . . . . 72 ASP N . 50702 1 242 . 1 . 1 73 73 GLY H H 1 8.106 0.020 . 1 . . . . . 73 GLY H . 50702 1 243 . 1 . 1 73 73 GLY CA C 13 45.218 0.3 . 1 . . . . . 73 GLY CA . 50702 1 244 . 1 . 1 73 73 GLY N N 15 109.796 0.3 . 1 . . . . . 73 GLY N . 50702 1 245 . 1 . 1 74 74 THR H H 1 7.957 0.020 . 1 . . . . . 74 THR H . 50702 1 246 . 1 . 1 74 74 THR CA C 13 59.354 0.3 . 1 . . . . . 74 THR CA . 50702 1 247 . 1 . 1 74 74 THR CB C 13 72.730 0.3 . 1 . . . . . 74 THR CB . 50702 1 248 . 1 . 1 74 74 THR N N 15 108.691 0.3 . 1 . . . . . 74 THR N . 50702 1 249 . 1 . 1 75 75 TYR H H 1 8.614 0.020 . 1 . . . . . 75 TYR H . 50702 1 250 . 1 . 1 75 75 TYR CA C 13 56.102 0.3 . 1 . . . . . 75 TYR CA . 50702 1 251 . 1 . 1 75 75 TYR CB C 13 40.164 0.3 . 1 . . . . . 75 TYR CB . 50702 1 252 . 1 . 1 75 75 TYR N N 15 120.038 0.3 . 1 . . . . . 75 TYR N . 50702 1 253 . 1 . 1 76 76 GLY H H 1 9.107 0.020 . 1 . . . . . 76 GLY H . 50702 1 254 . 1 . 1 76 76 GLY CA C 13 45.478 0.3 . 1 . . . . . 76 GLY CA . 50702 1 255 . 1 . 1 76 76 GLY N N 15 112.293 0.3 . 1 . . . . . 76 GLY N . 50702 1 256 . 1 . 1 77 77 VAL H H 1 8.706 0.020 . 1 . . . . . 77 VAL H . 50702 1 257 . 1 . 1 77 77 VAL CA C 13 60.850 0.3 . 1 . . . . . 77 VAL CA . 50702 1 258 . 1 . 1 77 77 VAL CB C 13 32.840 0.3 . 1 . . . . . 77 VAL CB . 50702 1 259 . 1 . 1 77 77 VAL N N 15 123.985 0.3 . 1 . . . . . 77 VAL N . 50702 1 260 . 1 . 1 78 78 VAL H H 1 8.310 0.020 . 1 . . . . . 78 VAL H . 50702 1 261 . 1 . 1 78 78 VAL CA C 13 59.976 0.3 . 1 . . . . . 78 VAL CA . 50702 1 262 . 1 . 1 78 78 VAL CB C 13 35.233 0.3 . 1 . . . . . 78 VAL CB . 50702 1 263 . 1 . 1 78 78 VAL N N 15 126.013 0.3 . 1 . . . . . 78 VAL N . 50702 1 264 . 1 . 1 79 79 TYR H H 1 9.243 0.020 . 1 . . . . . 79 TYR H . 50702 1 265 . 1 . 1 79 79 TYR CA C 13 55.916 0.3 . 1 . . . . . 79 TYR CA . 50702 1 266 . 1 . 1 79 79 TYR CB C 13 41.116 0.3 . 1 . . . . . 79 TYR CB . 50702 1 267 . 1 . 1 79 79 TYR N N 15 124.211 0.3 . 1 . . . . . 79 TYR N . 50702 1 268 . 1 . 1 80 80 ASP H H 1 8.079 0.020 . 1 . . . . . 80 ASP H . 50702 1 269 . 1 . 1 80 80 ASP CA C 13 52.981 0.3 . 1 . . . . . 80 ASP CA . 50702 1 270 . 1 . 1 80 80 ASP CB C 13 42.951 0.3 . 1 . . . . . 80 ASP CB . 50702 1 271 . 1 . 1 80 80 ASP N N 15 119.015 0.3 . 1 . . . . . 80 ASP N . 50702 1 272 . 1 . 1 81 81 ALA H H 1 8.724 0.020 . 1 . . . . . 81 ALA H . 50702 1 273 . 1 . 1 81 81 ALA CA C 13 48.160 0.3 . 1 . . . . . 81 ALA CA . 50702 1 274 . 1 . 1 81 81 ALA CB C 13 18.484 0.3 . 1 . . . . . 81 ALA CB . 50702 1 275 . 1 . 1 81 81 ALA N N 15 126.901 0.3 . 1 . . . . . 81 ALA N . 50702 1 276 . 1 . 1 83 83 VAL H H 1 6.792 0.020 . 1 . . . . . 83 VAL H . 50702 1 277 . 1 . 1 83 83 VAL CA C 13 58.959 0.3 . 1 . . . . . 83 VAL CA . 50702 1 278 . 1 . 1 83 83 VAL CB C 13 35.695 0.3 . 1 . . . . . 83 VAL CB . 50702 1 279 . 1 . 1 83 83 VAL N N 15 111.327 0.3 . 1 . . . . . 83 VAL N . 50702 1 280 . 1 . 1 84 84 GLU H H 1 8.962 0.020 . 1 . . . . . 84 GLU H . 50702 1 281 . 1 . 1 84 84 GLU CA C 13 57.009 0.3 . 1 . . . . . 84 GLU CA . 50702 1 282 . 1 . 1 84 84 GLU CB C 13 29.898 0.3 . 1 . . . . . 84 GLU CB . 50702 1 283 . 1 . 1 84 84 GLU N N 15 125.360 0.3 . 1 . . . . . 84 GLU N . 50702 1 284 . 1 . 1 85 85 GLY H H 1 8.205 0.020 . 1 . . . . . 85 GLY H . 50702 1 285 . 1 . 1 85 85 GLY CA C 13 43.843 0.3 . 1 . . . . . 85 GLY CA . 50702 1 286 . 1 . 1 85 85 GLY N N 15 107.455 0.3 . 1 . . . . . 85 GLY N . 50702 1 287 . 1 . 1 86 86 ASN H H 1 8.416 0.020 . 1 . . . . . 86 ASN H . 50702 1 288 . 1 . 1 86 86 ASN CA C 13 54.111 0.3 . 1 . . . . . 86 ASN CA . 50702 1 289 . 1 . 1 86 86 ASN CB C 13 40.674 0.3 . 1 . . . . . 86 ASN CB . 50702 1 290 . 1 . 1 86 86 ASN N N 15 118.916 0.3 . 1 . . . . . 86 ASN N . 50702 1 291 . 1 . 1 87 87 TYR H H 1 9.536 0.020 . 1 . . . . . 87 TYR H . 50702 1 292 . 1 . 1 87 87 TYR CA C 13 56.979 0.3 . 1 . . . . . 87 TYR CA . 50702 1 293 . 1 . 1 87 87 TYR CB C 13 39.485 0.3 . 1 . . . . . 87 TYR CB . 50702 1 294 . 1 . 1 87 87 TYR N N 15 124.594 0.3 . 1 . . . . . 87 TYR N . 50702 1 295 . 1 . 1 88 88 ASN H H 1 8.935 0.020 . 1 . . . . . 88 ASN H . 50702 1 296 . 1 . 1 88 88 ASN CA C 13 53.105 0.3 . 1 . . . . . 88 ASN CA . 50702 1 297 . 1 . 1 88 88 ASN CB C 13 41.880 0.3 . 1 . . . . . 88 ASN CB . 50702 1 298 . 1 . 1 88 88 ASN N N 15 122.689 0.3 . 1 . . . . . 88 ASN N . 50702 1 299 . 1 . 1 89 89 VAL H H 1 9.399 0.020 . 1 . . . . . 89 VAL H . 50702 1 300 . 1 . 1 89 89 VAL CA C 13 61.854 0.3 . 1 . . . . . 89 VAL CA . 50702 1 301 . 1 . 1 89 89 VAL CB C 13 32.842 0.3 . 1 . . . . . 89 VAL CB . 50702 1 302 . 1 . 1 89 89 VAL N N 15 128.578 0.3 . 1 . . . . . 89 VAL N . 50702 1 303 . 1 . 1 90 90 ASN H H 1 8.846 0.020 . 1 . . . . . 90 ASN H . 50702 1 304 . 1 . 1 90 90 ASN CA C 13 51.492 0.3 . 1 . . . . . 90 ASN CA . 50702 1 305 . 1 . 1 90 90 ASN CB C 13 41.345 0.3 . 1 . . . . . 90 ASN CB . 50702 1 306 . 1 . 1 90 90 ASN N N 15 123.447 0.3 . 1 . . . . . 90 ASN N . 50702 1 307 . 1 . 1 91 91 VAL H H 1 7.493 0.020 . 1 . . . . . 91 VAL H . 50702 1 308 . 1 . 1 91 91 VAL CA C 13 60.980 0.3 . 1 . . . . . 91 VAL CA . 50702 1 309 . 1 . 1 91 91 VAL CB C 13 32.847 0.3 . 1 . . . . . 91 VAL CB . 50702 1 310 . 1 . 1 91 91 VAL N N 15 127.479 0.3 . 1 . . . . . 91 VAL N . 50702 1 311 . 1 . 1 92 92 THR H H 1 9.164 0.020 . 1 . . . . . 92 THR H . 50702 1 312 . 1 . 1 92 92 THR CA C 13 58.731 0.3 . 1 . . . . . 92 THR CA . 50702 1 313 . 1 . 1 92 92 THR CB C 13 72.997 0.3 . 1 . . . . . 92 THR CB . 50702 1 314 . 1 . 1 92 92 THR N N 15 115.965 0.3 . 1 . . . . . 92 THR N . 50702 1 315 . 1 . 1 93 93 LEU H H 1 8.671 0.020 . 1 . . . . . 93 LEU H . 50702 1 316 . 1 . 1 93 93 LEU CA C 13 53.472 0.3 . 1 . . . . . 93 LEU CA . 50702 1 317 . 1 . 1 93 93 LEU CB C 13 44.265 0.3 . 1 . . . . . 93 LEU CB . 50702 1 318 . 1 . 1 93 93 LEU N N 15 119.711 0.3 . 1 . . . . . 93 LEU N . 50702 1 319 . 1 . 1 94 94 ARG H H 1 9.304 0.020 . 1 . . . . . 94 ARG H . 50702 1 320 . 1 . 1 94 94 ARG CA C 13 56.899 0.3 . 1 . . . . . 94 ARG CA . 50702 1 321 . 1 . 1 94 94 ARG CB C 13 27.987 0.3 . 1 . . . . . 94 ARG CB . 50702 1 322 . 1 . 1 94 94 ARG N N 15 128.578 0.3 . 1 . . . . . 94 ARG N . 50702 1 323 . 1 . 1 95 95 GLY H H 1 8.693 0.020 . 1 . . . . . 95 GLY H . 50702 1 324 . 1 . 1 95 95 GLY CA C 13 44.903 0.3 . 1 . . . . . 95 GLY CA . 50702 1 325 . 1 . 1 95 95 GLY N N 15 102.778 0.3 . 1 . . . . . 95 GLY N . 50702 1 326 . 1 . 1 96 96 ASN H H 1 7.603 0.020 . 1 . . . . . 96 ASN H . 50702 1 327 . 1 . 1 96 96 ASN CA C 13 50.161 0.3 . 1 . . . . . 96 ASN CA . 50702 1 328 . 1 . 1 96 96 ASN CB C 13 39.720 0.3 . 1 . . . . . 96 ASN CB . 50702 1 329 . 1 . 1 96 96 ASN N N 15 119.874 0.3 . 1 . . . . . 96 ASN N . 50702 1 330 . 1 . 1 98 98 ILE H H 1 7.596 0.020 . 1 . . . . . 98 ILE H . 50702 1 331 . 1 . 1 98 98 ILE CA C 13 60.136 0.3 . 1 . . . . . 98 ILE CA . 50702 1 332 . 1 . 1 98 98 ILE CB C 13 35.841 0.3 . 1 . . . . . 98 ILE CB . 50702 1 333 . 1 . 1 98 98 ILE N N 15 113.499 0.3 . 1 . . . . . 98 ILE N . 50702 1 334 . 1 . 1 99 99 LYS H H 1 7.635 0.020 . 1 . . . . . 99 LYS H . 50702 1 335 . 1 . 1 99 99 LYS CA C 13 59.323 0.3 . 1 . . . . . 99 LYS CA . 50702 1 336 . 1 . 1 99 99 LYS CB C 13 32.618 0.3 . 1 . . . . . 99 LYS CB . 50702 1 337 . 1 . 1 99 99 LYS N N 15 119.754 0.3 . 1 . . . . . 99 LYS N . 50702 1 338 . 1 . 1 101 101 MET H H 1 7.480 0.020 . 1 . . . . . 101 MET H . 50702 1 339 . 1 . 1 101 101 MET CA C 13 52.309 0.3 . 1 . . . . . 101 MET CA . 50702 1 340 . 1 . 1 101 101 MET CB C 13 32.942 0.3 . 1 . . . . . 101 MET CB . 50702 1 341 . 1 . 1 101 101 MET N N 15 115.860 0.3 . 1 . . . . . 101 MET N . 50702 1 342 . 1 . 1 103 103 ILE H H 1 8.964 0.020 . 1 . . . . . 103 ILE H . 50702 1 343 . 1 . 1 103 103 ILE CA C 13 59.822 0.3 . 1 . . . . . 103 ILE CA . 50702 1 344 . 1 . 1 103 103 ILE CB C 13 42.457 0.3 . 1 . . . . . 103 ILE CB . 50702 1 345 . 1 . 1 103 103 ILE N N 15 119.255 0.3 . 1 . . . . . 103 ILE N . 50702 1 346 . 1 . 1 104 104 ASP H H 1 8.100 0.020 . 1 . . . . . 104 ASP H . 50702 1 347 . 1 . 1 104 104 ASP CA C 13 53.861 0.3 . 1 . . . . . 104 ASP CA . 50702 1 348 . 1 . 1 104 104 ASP CB C 13 42.682 0.3 . 1 . . . . . 104 ASP CB . 50702 1 349 . 1 . 1 104 104 ASP N N 15 125.268 0.3 . 1 . . . . . 104 ASP N . 50702 1 350 . 1 . 1 105 105 VAL H H 1 9.490 0.020 . 1 . . . . . 105 VAL H . 50702 1 351 . 1 . 1 105 105 VAL CA C 13 60.973 0.3 . 1 . . . . . 105 VAL CA . 50702 1 352 . 1 . 1 105 105 VAL CB C 13 34.965 0.3 . 1 . . . . . 105 VAL CB . 50702 1 353 . 1 . 1 105 105 VAL N N 15 125.968 0.3 . 1 . . . . . 105 VAL N . 50702 1 354 . 1 . 1 106 106 LYS H H 1 8.236 0.020 . 1 . . . . . 106 LYS H . 50702 1 355 . 1 . 1 106 106 LYS CA C 13 55.211 0.3 . 1 . . . . . 106 LYS CA . 50702 1 356 . 1 . 1 106 106 LYS CB C 13 33.464 0.3 . 1 . . . . . 106 LYS CB . 50702 1 357 . 1 . 1 106 106 LYS N N 15 126.690 0.3 . 1 . . . . . 106 LYS N . 50702 1 358 . 1 . 1 107 107 CYS H H 1 9.193 0.020 . 1 . . . . . 107 CYS H . 50702 1 359 . 1 . 1 107 107 CYS CA C 13 50.137 0.3 . 1 . . . . . 107 CYS CA . 50702 1 360 . 1 . 1 107 107 CYS CB C 13 21.698 0.3 . 1 . . . . . 107 CYS CB . 50702 1 361 . 1 . 1 107 107 CYS N N 15 127.624 0.3 . 1 . . . . . 107 CYS N . 50702 1 362 . 1 . 1 108 108 ILE H H 1 8.510 0.020 . 1 . . . . . 108 ILE H . 50702 1 363 . 1 . 1 108 108 ILE CA C 13 59.224 0.3 . 1 . . . . . 108 ILE CA . 50702 1 364 . 1 . 1 108 108 ILE CB C 13 41.332 0.3 . 1 . . . . . 108 ILE CB . 50702 1 365 . 1 . 1 108 108 ILE N N 15 119.697 0.3 . 1 . . . . . 108 ILE N . 50702 1 366 . 1 . 1 109 109 GLU H H 1 8.470 0.020 . 1 . . . . . 109 GLU H . 50702 1 367 . 1 . 1 109 109 GLU CA C 13 56.590 0.3 . 1 . . . . . 109 GLU CA . 50702 1 368 . 1 . 1 109 109 GLU N N 15 122.284 0.3 . 1 . . . . . 109 GLU N . 50702 1 369 . 1 . 1 110 110 GLY H H 1 9.089 0.020 . 1 . . . . . 110 GLY H . 50702 1 370 . 1 . 1 110 110 GLY CA C 13 45.236 0.3 . 1 . . . . . 110 GLY CA . 50702 1 371 . 1 . 1 110 110 GLY N N 15 113.281 0.3 . 1 . . . . . 110 GLY N . 50702 1 372 . 1 . 1 111 111 ALA H H 1 8.331 0.020 . 1 . . . . . 111 ALA H . 50702 1 373 . 1 . 1 111 111 ALA CA C 13 52.965 0.3 . 1 . . . . . 111 ALA CA . 50702 1 374 . 1 . 1 111 111 ALA CB C 13 19.021 0.3 . 1 . . . . . 111 ALA CB . 50702 1 375 . 1 . 1 111 111 ALA N N 15 124.097 0.3 . 1 . . . . . 111 ALA N . 50702 1 376 . 1 . 1 112 112 SER H H 1 8.260 0.020 . 1 . . . . . 112 SER H . 50702 1 377 . 1 . 1 112 112 SER CA C 13 58.576 0.3 . 1 . . . . . 112 SER CA . 50702 1 378 . 1 . 1 112 112 SER CB C 13 63.555 0.3 . 1 . . . . . 112 SER CB . 50702 1 379 . 1 . 1 112 112 SER N N 15 114.252 0.3 . 1 . . . . . 112 SER N . 50702 1 380 . 1 . 1 113 113 SER H H 1 8.117 0.020 . 1 . . . . . 113 SER H . 50702 1 381 . 1 . 1 113 113 SER CA C 13 58.695 0.3 . 1 . . . . . 113 SER CA . 50702 1 382 . 1 . 1 113 113 SER CB C 13 63.656 0.3 . 1 . . . . . 113 SER CB . 50702 1 383 . 1 . 1 113 113 SER N N 15 117.323 0.3 . 1 . . . . . 113 SER N . 50702 1 384 . 1 . 1 115 115 ALA H H 1 8.101 0.020 . 1 . . . . . 115 ALA H . 50702 1 385 . 1 . 1 115 115 ALA CA C 13 53.052 0.3 . 1 . . . . . 115 ALA CA . 50702 1 386 . 1 . 1 115 115 ALA CB C 13 19.021 0.3 . 1 . . . . . 115 ALA CB . 50702 1 387 . 1 . 1 115 115 ALA N N 15 123.713 0.3 . 1 . . . . . 115 ALA N . 50702 1 388 . 1 . 1 116 116 THR H H 1 8.031 0.020 . 1 . . . . . 116 THR H . 50702 1 389 . 1 . 1 116 116 THR CA C 13 62.441 0.3 . 1 . . . . . 116 THR CA . 50702 1 390 . 1 . 1 116 116 THR CB C 13 69.470 0.3 . 1 . . . . . 116 THR CB . 50702 1 391 . 1 . 1 116 116 THR N N 15 112.782 0.3 . 1 . . . . . 116 THR N . 50702 1 392 . 1 . 1 117 117 ARG H H 1 8.172 0.020 . 1 . . . . . 117 ARG H . 50702 1 393 . 1 . 1 117 117 ARG CA C 13 56.597 0.3 . 1 . . . . . 117 ARG CA . 50702 1 394 . 1 . 1 117 117 ARG CB C 13 30.602 0.3 . 1 . . . . . 117 ARG CB . 50702 1 395 . 1 . 1 117 117 ARG N N 15 123.028 0.3 . 1 . . . . . 117 ARG N . 50702 1 396 . 1 . 1 118 118 GLN H H 1 8.306 0.020 . 1 . . . . . 118 GLN H . 50702 1 397 . 1 . 1 118 118 GLN CA C 13 56.000 0.3 . 1 . . . . . 118 GLN CA . 50702 1 398 . 1 . 1 118 118 GLN CB C 13 29.161 0.3 . 1 . . . . . 118 GLN CB . 50702 1 399 . 1 . 1 118 118 GLN N N 15 121.062 0.3 . 1 . . . . . 118 GLN N . 50702 1 400 . 1 . 1 119 119 LEU H H 1 8.215 0.020 . 1 . . . . . 119 LEU H . 50702 1 401 . 1 . 1 119 119 LEU CA C 13 55.381 0.3 . 1 . . . . . 119 LEU CA . 50702 1 402 . 1 . 1 119 119 LEU CB C 13 42.282 0.3 . 1 . . . . . 119 LEU CB . 50702 1 403 . 1 . 1 119 119 LEU N N 15 123.191 0.3 . 1 . . . . . 119 LEU N . 50702 1 404 . 1 . 1 120 120 SER H H 1 8.196 0.020 . 1 . . . . . 120 SER H . 50702 1 405 . 1 . 1 120 120 SER CA C 13 58.707 0.3 . 1 . . . . . 120 SER CA . 50702 1 406 . 1 . 1 120 120 SER CB C 13 63.804 0.3 . 1 . . . . . 120 SER CB . 50702 1 407 . 1 . 1 120 120 SER N N 15 115.868 0.3 . 1 . . . . . 120 SER N . 50702 1 408 . 1 . 1 121 121 GLY H H 1 8.346 0.020 . 1 . . . . . 121 GLY H . 50702 1 409 . 1 . 1 121 121 GLY CA C 13 45.432 0.3 . 1 . . . . . 121 GLY CA . 50702 1 410 . 1 . 1 121 121 GLY N N 15 110.440 0.3 . 1 . . . . . 121 GLY N . 50702 1 411 . 1 . 1 122 122 LEU H H 1 7.918 0.020 . 1 . . . . . 122 LEU H . 50702 1 412 . 1 . 1 122 122 LEU CA C 13 55.236 0.3 . 1 . . . . . 122 LEU CA . 50702 1 413 . 1 . 1 122 122 LEU CB C 13 42.455 0.3 . 1 . . . . . 122 LEU CB . 50702 1 414 . 1 . 1 122 122 LEU N N 15 121.225 0.3 . 1 . . . . . 122 LEU N . 50702 1 415 . 1 . 1 123 123 LYS H H 1 8.241 0.020 . 1 . . . . . 123 LYS H . 50702 1 416 . 1 . 1 123 123 LYS CA C 13 55.236 0.3 . 1 . . . . . 123 LYS CA . 50702 1 417 . 1 . 1 123 123 LYS CB C 13 32.591 0.3 . 1 . . . . . 123 LYS CB . 50702 1 418 . 1 . 1 123 123 LYS N N 15 122.162 0.3 . 1 . . . . . 123 LYS N . 50702 1 419 . 1 . 1 124 124 ILE H H 1 7.946 0.020 . 1 . . . . . 124 ILE H . 50702 1 420 . 1 . 1 124 124 ILE CA C 13 61.017 0.3 . 1 . . . . . 124 ILE CA . 50702 1 421 . 1 . 1 124 124 ILE CB C 13 38.650 0.3 . 1 . . . . . 124 ILE CB . 50702 1 422 . 1 . 1 124 124 ILE N N 15 121.082 0.3 . 1 . . . . . 124 ILE N . 50702 1 423 . 1 . 1 125 125 HIS H H 1 8.335 0.020 . 1 . . . . . 125 HIS H . 50702 1 424 . 1 . 1 125 125 HIS CA C 13 55.906 0.3 . 1 . . . . . 125 HIS CA . 50702 1 425 . 1 . 1 125 125 HIS CB C 13 30.143 0.3 . 1 . . . . . 125 HIS CB . 50702 1 426 . 1 . 1 125 125 HIS N N 15 123.128 0.3 . 1 . . . . . 125 HIS N . 50702 1 427 . 1 . 1 126 126 SER H H 1 8.225 0.020 . 1 . . . . . 126 SER H . 50702 1 428 . 1 . 1 126 126 SER CA C 13 58.430 0.3 . 1 . . . . . 126 SER CA . 50702 1 429 . 1 . 1 126 126 SER N N 15 116.721 0.3 . 1 . . . . . 126 SER N . 50702 1 430 . 1 . 1 127 127 ASN H H 1 8.534 0.020 . 1 . . . . . 127 ASN H . 50702 1 431 . 1 . 1 127 127 ASN CA C 13 53.342 0.3 . 1 . . . . . 127 ASN CA . 50702 1 432 . 1 . 1 127 127 ASN CB C 13 38.568 0.3 . 1 . . . . . 127 ASN CB . 50702 1 433 . 1 . 1 127 127 ASN N N 15 120.717 0.3 . 1 . . . . . 127 ASN N . 50702 1 434 . 1 . 1 128 128 LEU H H 1 7.964 0.020 . 1 . . . . . 128 LEU H . 50702 1 435 . 1 . 1 128 128 LEU CA C 13 55.357 0.3 . 1 . . . . . 128 LEU CA . 50702 1 436 . 1 . 1 128 128 LEU CB C 13 42.233 0.3 . 1 . . . . . 128 LEU CB . 50702 1 437 . 1 . 1 128 128 LEU N N 15 121.296 0.3 . 1 . . . . . 128 LEU N . 50702 1 438 . 1 . 1 129 129 TYR H H 1 7.908 0.020 . 1 . . . . . 129 TYR H . 50702 1 439 . 1 . 1 129 129 TYR CA C 13 57.528 0.3 . 1 . . . . . 129 TYR CA . 50702 1 440 . 1 . 1 129 129 TYR CB C 13 38.555 0.3 . 1 . . . . . 129 TYR CB . 50702 1 441 . 1 . 1 129 129 TYR N N 15 119.636 0.3 . 1 . . . . . 129 TYR N . 50702 1 442 . 1 . 1 130 130 HIS H H 1 7.744 0.020 . 1 . . . . . 130 HIS H . 50702 1 443 . 1 . 1 130 130 HIS CA C 13 57.004 0.3 . 1 . . . . . 130 HIS CA . 50702 1 444 . 1 . 1 130 130 HIS CB C 13 30.304 0.3 . 1 . . . . . 130 HIS CB . 50702 1 445 . 1 . 1 130 130 HIS N N 15 124.555 0.3 . 1 . . . . . 130 HIS N . 50702 1 stop_ save_