data_51983 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51983 _Entry.Title ; Chemical shift assignments for the seventh and eighth (HhH)2 repeats from Topoisomerase V ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-30 _Entry.Accession_date 2023-05-30 _Entry.Last_release_date 2023-05-31 _Entry.Original_release_date 2023-05-31 _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 Mark Petersen . . . 0000-0002-5655-805X 51983 2 Rebecca Fang . . . . 51983 3 Ananya Majumdar . . . 0000-0001-9899-0433 51983 4 Doug Barrick . . . 0000-0001-7291-1389 51983 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51983 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 51983 '15N chemical shifts' 132 51983 '1H chemical shifts' 132 51983 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 . . 2023-08-19 . original BMRB . 51983 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51974 'the seventh (HhH)2 repeat from Topoisomerase V' 51983 BMRB 51975 'the sixth and seventh (HhH)2 repeats from Topoisomerase V' 51983 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51983 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37262333 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Stability Islands and the Folding Cooperativity of a Seven-Repeat Array from Topoisomerase V ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 145 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5126 _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 12641 _Citation.Page_last 12650 _Citation.Year 2023 _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 Mark Petersen . . . . 51983 1 2 Rebecca Fang . . . . 51983 1 3 Ananya Majumdar . . . . 51983 1 4 Doug Barrick . . . . 51983 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51983 _Assembly.ID 1 _Assembly.Name 'Topoisomerase V repeats GH' _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 'Topoisomerase V repeats GH' 1 $entity_1 . . yes native no no . . . 51983 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51983 _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 ; GGSWGPEFKFLLNIEGVGPK LAERILEAVDYDLERLASLN PEELAEKVEGLGEELAERVV YAARERVESRRKSGRQERSE EEWKEWLERKVGEGRARRLI EYFGSAGEVGKLVENAEVSK LLEVPGIGDEAVARLVPGY ; _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 139 _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 . 51983 1 2 . GLY . 51983 1 3 . SER . 51983 1 4 . TRP . 51983 1 5 . GLY . 51983 1 6 . PRO . 51983 1 7 . GLU . 51983 1 8 . PHE . 51983 1 9 . LYS . 51983 1 10 . PHE . 51983 1 11 . LEU . 51983 1 12 . LEU . 51983 1 13 . ASN . 51983 1 14 . ILE . 51983 1 15 . GLU . 51983 1 16 . GLY . 51983 1 17 . VAL . 51983 1 18 . GLY . 51983 1 19 . PRO . 51983 1 20 . LYS . 51983 1 21 . LEU . 51983 1 22 . ALA . 51983 1 23 . GLU . 51983 1 24 . ARG . 51983 1 25 . ILE . 51983 1 26 . LEU . 51983 1 27 . GLU . 51983 1 28 . ALA . 51983 1 29 . VAL . 51983 1 30 . ASP . 51983 1 31 . TYR . 51983 1 32 . ASP . 51983 1 33 . LEU . 51983 1 34 . GLU . 51983 1 35 . ARG . 51983 1 36 . LEU . 51983 1 37 . ALA . 51983 1 38 . SER . 51983 1 39 . LEU . 51983 1 40 . ASN . 51983 1 41 . PRO . 51983 1 42 . GLU . 51983 1 43 . GLU . 51983 1 44 . LEU . 51983 1 45 . ALA . 51983 1 46 . GLU . 51983 1 47 . LYS . 51983 1 48 . VAL . 51983 1 49 . GLU . 51983 1 50 . GLY . 51983 1 51 . LEU . 51983 1 52 . GLY . 51983 1 53 . GLU . 51983 1 54 . GLU . 51983 1 55 . LEU . 51983 1 56 . ALA . 51983 1 57 . GLU . 51983 1 58 . ARG . 51983 1 59 . VAL . 51983 1 60 . VAL . 51983 1 61 . TYR . 51983 1 62 . ALA . 51983 1 63 . ALA . 51983 1 64 . ARG . 51983 1 65 . GLU . 51983 1 66 . ARG . 51983 1 67 . VAL . 51983 1 68 . GLU . 51983 1 69 . SER . 51983 1 70 . ARG . 51983 1 71 . ARG . 51983 1 72 . LYS . 51983 1 73 . SER . 51983 1 74 . GLY . 51983 1 75 . ARG . 51983 1 76 . GLN . 51983 1 77 . GLU . 51983 1 78 . ARG . 51983 1 79 . SER . 51983 1 80 . GLU . 51983 1 81 . GLU . 51983 1 82 . GLU . 51983 1 83 . TRP . 51983 1 84 . LYS . 51983 1 85 . GLU . 51983 1 86 . TRP . 51983 1 87 . LEU . 51983 1 88 . GLU . 51983 1 89 . ARG . 51983 1 90 . LYS . 51983 1 91 . VAL . 51983 1 92 . GLY . 51983 1 93 . GLU . 51983 1 94 . GLY . 51983 1 95 . ARG . 51983 1 96 . ALA . 51983 1 97 . ARG . 51983 1 98 . ARG . 51983 1 99 . LEU . 51983 1 100 . ILE . 51983 1 101 . GLU . 51983 1 102 . TYR . 51983 1 103 . PHE . 51983 1 104 . GLY . 51983 1 105 . SER . 51983 1 106 . ALA . 51983 1 107 . GLY . 51983 1 108 . GLU . 51983 1 109 . VAL . 51983 1 110 . GLY . 51983 1 111 . LYS . 51983 1 112 . LEU . 51983 1 113 . VAL . 51983 1 114 . GLU . 51983 1 115 . ASN . 51983 1 116 . ALA . 51983 1 117 . GLU . 51983 1 118 . VAL . 51983 1 119 . SER . 51983 1 120 . LYS . 51983 1 121 . LEU . 51983 1 122 . LEU . 51983 1 123 . GLU . 51983 1 124 . VAL . 51983 1 125 . PRO . 51983 1 126 . GLY . 51983 1 127 . ILE . 51983 1 128 . GLY . 51983 1 129 . ASP . 51983 1 130 . GLU . 51983 1 131 . ALA . 51983 1 132 . VAL . 51983 1 133 . ALA . 51983 1 134 . ARG . 51983 1 135 . LEU . 51983 1 136 . VAL . 51983 1 137 . PRO . 51983 1 138 . GLY . 51983 1 139 . TYR . 51983 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 51983 1 . GLY 2 2 51983 1 . SER 3 3 51983 1 . TRP 4 4 51983 1 . GLY 5 5 51983 1 . PRO 6 6 51983 1 . GLU 7 7 51983 1 . PHE 8 8 51983 1 . LYS 9 9 51983 1 . PHE 10 10 51983 1 . LEU 11 11 51983 1 . LEU 12 12 51983 1 . ASN 13 13 51983 1 . ILE 14 14 51983 1 . GLU 15 15 51983 1 . GLY 16 16 51983 1 . VAL 17 17 51983 1 . GLY 18 18 51983 1 . PRO 19 19 51983 1 . LYS 20 20 51983 1 . LEU 21 21 51983 1 . ALA 22 22 51983 1 . GLU 23 23 51983 1 . ARG 24 24 51983 1 . ILE 25 25 51983 1 . LEU 26 26 51983 1 . GLU 27 27 51983 1 . ALA 28 28 51983 1 . VAL 29 29 51983 1 . ASP 30 30 51983 1 . TYR 31 31 51983 1 . ASP 32 32 51983 1 . LEU 33 33 51983 1 . GLU 34 34 51983 1 . ARG 35 35 51983 1 . LEU 36 36 51983 1 . ALA 37 37 51983 1 . SER 38 38 51983 1 . LEU 39 39 51983 1 . ASN 40 40 51983 1 . PRO 41 41 51983 1 . GLU 42 42 51983 1 . GLU 43 43 51983 1 . LEU 44 44 51983 1 . ALA 45 45 51983 1 . GLU 46 46 51983 1 . LYS 47 47 51983 1 . VAL 48 48 51983 1 . GLU 49 49 51983 1 . GLY 50 50 51983 1 . LEU 51 51 51983 1 . GLY 52 52 51983 1 . GLU 53 53 51983 1 . GLU 54 54 51983 1 . LEU 55 55 51983 1 . ALA 56 56 51983 1 . GLU 57 57 51983 1 . ARG 58 58 51983 1 . VAL 59 59 51983 1 . VAL 60 60 51983 1 . TYR 61 61 51983 1 . ALA 62 62 51983 1 . ALA 63 63 51983 1 . ARG 64 64 51983 1 . GLU 65 65 51983 1 . ARG 66 66 51983 1 . VAL 67 67 51983 1 . GLU 68 68 51983 1 . SER 69 69 51983 1 . ARG 70 70 51983 1 . ARG 71 71 51983 1 . LYS 72 72 51983 1 . SER 73 73 51983 1 . GLY 74 74 51983 1 . ARG 75 75 51983 1 . GLN 76 76 51983 1 . GLU 77 77 51983 1 . ARG 78 78 51983 1 . SER 79 79 51983 1 . GLU 80 80 51983 1 . GLU 81 81 51983 1 . GLU 82 82 51983 1 . TRP 83 83 51983 1 . LYS 84 84 51983 1 . GLU 85 85 51983 1 . TRP 86 86 51983 1 . LEU 87 87 51983 1 . GLU 88 88 51983 1 . ARG 89 89 51983 1 . LYS 90 90 51983 1 . VAL 91 91 51983 1 . GLY 92 92 51983 1 . GLU 93 93 51983 1 . GLY 94 94 51983 1 . ARG 95 95 51983 1 . ALA 96 96 51983 1 . ARG 97 97 51983 1 . ARG 98 98 51983 1 . LEU 99 99 51983 1 . ILE 100 100 51983 1 . GLU 101 101 51983 1 . TYR 102 102 51983 1 . PHE 103 103 51983 1 . GLY 104 104 51983 1 . SER 105 105 51983 1 . ALA 106 106 51983 1 . GLY 107 107 51983 1 . GLU 108 108 51983 1 . VAL 109 109 51983 1 . GLY 110 110 51983 1 . LYS 111 111 51983 1 . LEU 112 112 51983 1 . VAL 113 113 51983 1 . GLU 114 114 51983 1 . ASN 115 115 51983 1 . ALA 116 116 51983 1 . GLU 117 117 51983 1 . VAL 118 118 51983 1 . SER 119 119 51983 1 . LYS 120 120 51983 1 . LEU 121 121 51983 1 . LEU 122 122 51983 1 . GLU 123 123 51983 1 . VAL 124 124 51983 1 . PRO 125 125 51983 1 . GLY 126 126 51983 1 . ILE 127 127 51983 1 . GLY 128 128 51983 1 . ASP 129 129 51983 1 . GLU 130 130 51983 1 . ALA 131 131 51983 1 . VAL 132 132 51983 1 . ALA 133 133 51983 1 . ARG 134 134 51983 1 . LEU 135 135 51983 1 . VAL 136 136 51983 1 . PRO 137 137 51983 1 . GLY 138 138 51983 1 . TYR 139 139 51983 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 51983 _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 . 2320 organism . 'Methanopyrus kandleri' 'Methanopyrus kandleri' . . Archaea . Methanopyrus kandleri . . . . . . . . . . . top5 . 51983 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 51983 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pMal . . . 51983 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51983 _Sample.ID 1 _Sample.Name '13C 15N Topo V GH' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Topoisomerase V repeat G' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 475 525 uM . . . . 51983 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51983 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51983 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51983 _Sample.ID 2 _Sample.Name '15N Topo V GH' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Topoisomerase V repeat G' '[U-100% 15N]' . . 1 $entity_1 . . 500 475 525 uM . . . . 51983 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51983 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51983 2 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 51983 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard conditions for GH' _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 pH 6.4 . pH 51983 1 pressure 1 . atm 51983 1 temperature 298 . K 51983 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51983 _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 . 51983 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51983 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51983 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51983 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51983 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51983 _Software.ID 4 _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' . 51983 4 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 51983 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'JHU Biomolecular NMR AVANCE NEO 800 MHz Spectrometer - "Superbrew"' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51983 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51983 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51983 1 3 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51983 1 4 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51983 1 5 '3D HN(CA)N' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51983 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51983 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 51983 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'GH chemical shift references' _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 internal indirect 0.251449530 . . . . . 51983 1 H 1 water protons . . . . ppm 4.76 internal direct 1 . . . . . 51983 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51983 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 51983 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Topo V repeats FG chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 51983 1 2 '3D HNCACB' . . . 51983 1 3 '3D CBCA(CO)NH' . . . 51983 1 4 '2D 1H-15N TROSY' . . . 51983 1 5 '3D HN(CA)N' . . . 51983 1 6 '3D HN(CA)CO' . . . 51983 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 4 $software_4 . . 51983 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 GLY C C 13 173.222 . . 1 . . . . . 2 GLY C . 51983 1 2 . 1 . 1 2 2 GLY CA C 13 44.912 . . 1 . . . . . 2 GLY CA . 51983 1 3 . 1 . 1 3 3 SER H H 1 7.977 . . 1 . . . . . 3 SER H . 51983 1 4 . 1 . 1 3 3 SER C C 13 173.666 . . 1 . . . . . 3 SER C . 51983 1 5 . 1 . 1 3 3 SER CA C 13 57.707 . . 1 . . . . . 3 SER CA . 51983 1 6 . 1 . 1 3 3 SER CB C 13 64.136 . . 1 . . . . . 3 SER CB . 51983 1 7 . 1 . 1 3 3 SER N N 15 114.692 . . 1 . . . . . 3 SER N . 51983 1 8 . 1 . 1 4 4 TRP H H 1 8.218 . . 1 . . . . . 4 TRP H . 51983 1 9 . 1 . 1 4 4 TRP C C 13 176.267 . . 1 . . . . . 4 TRP C . 51983 1 10 . 1 . 1 4 4 TRP CA C 13 57.452 . . 1 . . . . . 4 TRP CA . 51983 1 11 . 1 . 1 4 4 TRP CB C 13 29.444 . . 1 . . . . . 4 TRP CB . 51983 1 12 . 1 . 1 4 4 TRP N N 15 121.776 . . 1 . . . . . 4 TRP N . 51983 1 13 . 1 . 1 5 5 GLY H H 1 7.642 . . 1 . . . . . 5 GLY H . 51983 1 14 . 1 . 1 5 5 GLY C C 13 172.322 . . 1 . . . . . 5 GLY C . 51983 1 15 . 1 . 1 5 5 GLY CA C 13 45.230 . . 1 . . . . . 5 GLY CA . 51983 1 16 . 1 . 1 5 5 GLY N N 15 110.511 . . 1 . . . . . 5 GLY N . 51983 1 17 . 1 . 1 6 6 PRO C C 13 178.760 . . 1 . . . . . 6 PRO C . 51983 1 18 . 1 . 1 6 6 PRO CA C 13 64.772 . . 1 . . . . . 6 PRO CA . 51983 1 19 . 1 . 1 6 6 PRO CB C 13 31.927 . . 1 . . . . . 6 PRO CB . 51983 1 20 . 1 . 1 7 7 GLU H H 1 9.618 . . 1 . . . . . 7 GLU H . 51983 1 21 . 1 . 1 7 7 GLU C C 13 176.711 . . 1 . . . . . 7 GLU C . 51983 1 22 . 1 . 1 7 7 GLU CA C 13 58.980 . . 1 . . . . . 7 GLU CA . 51983 1 23 . 1 . 1 7 7 GLU CB C 13 28.298 . . 1 . . . . . 7 GLU CB . 51983 1 24 . 1 . 1 7 7 GLU N N 15 120.252 . . 1 . . . . . 7 GLU N . 51983 1 25 . 1 . 1 8 8 PHE H H 1 7.681 . . 1 . . . . . 8 PHE H . 51983 1 26 . 1 . 1 8 8 PHE C C 13 176.207 . . 1 . . . . . 8 PHE C . 51983 1 27 . 1 . 1 8 8 PHE CA C 13 58.407 . . 1 . . . . . 8 PHE CA . 51983 1 28 . 1 . 1 8 8 PHE CB C 13 40.074 . . 1 . . . . . 8 PHE CB . 51983 1 29 . 1 . 1 8 8 PHE N N 15 115.408 . . 1 . . . . . 8 PHE N . 51983 1 30 . 1 . 1 9 9 LYS H H 1 7.704 . . 1 . . . . . 9 LYS H . 51983 1 31 . 1 . 1 9 9 LYS C C 13 178.557 . . 1 . . . . . 9 LYS C . 51983 1 32 . 1 . 1 9 9 LYS CA C 13 60.125 . . 1 . . . . . 9 LYS CA . 51983 1 33 . 1 . 1 9 9 LYS CB C 13 31.990 . . 1 . . . . . 9 LYS CB . 51983 1 34 . 1 . 1 9 9 LYS N N 15 120.138 . . 1 . . . . . 9 LYS N . 51983 1 35 . 1 . 1 10 10 PHE H H 1 8.293 . . 1 . . . . . 10 PHE H . 51983 1 36 . 1 . 1 10 10 PHE C C 13 177.250 . . 1 . . . . . 10 PHE C . 51983 1 37 . 1 . 1 10 10 PHE CA C 13 59.616 . . 1 . . . . . 10 PHE CA . 51983 1 38 . 1 . 1 10 10 PHE CB C 13 37.337 . . 1 . . . . . 10 PHE CB . 51983 1 39 . 1 . 1 10 10 PHE N N 15 116.774 . . 1 . . . . . 10 PHE N . 51983 1 40 . 1 . 1 11 11 LEU H H 1 7.000 . . 1 . . . . . 11 LEU H . 51983 1 41 . 1 . 1 11 11 LEU C C 13 177.154 . . 1 . . . . . 11 LEU C . 51983 1 42 . 1 . 1 11 11 LEU CA C 13 57.134 . . 1 . . . . . 11 LEU CA . 51983 1 43 . 1 . 1 11 11 LEU CB C 13 42.366 . . 1 . . . . . 11 LEU CB . 51983 1 44 . 1 . 1 11 11 LEU N N 15 121.970 . . 1 . . . . . 11 LEU N . 51983 1 45 . 1 . 1 12 12 LEU H H 1 7.286 . . 1 . . . . . 12 LEU H . 51983 1 46 . 1 . 1 12 12 LEU C C 13 177.694 . . 1 . . . . . 12 LEU C . 51983 1 47 . 1 . 1 12 12 LEU CA C 13 55.033 . . 1 . . . . . 12 LEU CA . 51983 1 48 . 1 . 1 12 12 LEU CB C 13 40.520 . . 1 . . . . . 12 LEU CB . 51983 1 49 . 1 . 1 12 12 LEU N N 15 112.416 . . 1 . . . . . 12 LEU N . 51983 1 50 . 1 . 1 13 13 ASN H H 1 7.315 . . 1 . . . . . 13 ASN H . 51983 1 51 . 1 . 1 13 13 ASN C C 13 174.709 . . 1 . . . . . 13 ASN C . 51983 1 52 . 1 . 1 13 13 ASN CA C 13 52.805 . . 1 . . . . . 13 ASN CA . 51983 1 53 . 1 . 1 13 13 ASN CB C 13 39.247 . . 1 . . . . . 13 ASN CB . 51983 1 54 . 1 . 1 13 13 ASN N N 15 115.277 . . 1 . . . . . 13 ASN N . 51983 1 55 . 1 . 1 14 14 ILE H H 1 7.340 . . 1 . . . . . 14 ILE H . 51983 1 56 . 1 . 1 14 14 ILE C C 13 175.548 . . 1 . . . . . 14 ILE C . 51983 1 57 . 1 . 1 14 14 ILE CA C 13 61.208 . . 1 . . . . . 14 ILE CA . 51983 1 58 . 1 . 1 14 14 ILE CB C 13 37.465 . . 1 . . . . . 14 ILE CB . 51983 1 59 . 1 . 1 14 14 ILE N N 15 122.927 . . 1 . . . . . 14 ILE N . 51983 1 60 . 1 . 1 15 15 GLU H H 1 8.673 . . 1 . . . . . 15 GLU H . 51983 1 61 . 1 . 1 15 15 GLU C C 13 176.651 . . 1 . . . . . 15 GLU C . 51983 1 62 . 1 . 1 15 15 GLU CA C 13 58.661 . . 1 . . . . . 15 GLU CA . 51983 1 63 . 1 . 1 15 15 GLU CB C 13 29.126 . . 1 . . . . . 15 GLU CB . 51983 1 64 . 1 . 1 15 15 GLU N N 15 130.534 . . 1 . . . . . 15 GLU N . 51983 1 65 . 1 . 1 16 16 GLY H H 1 8.651 . . 1 . . . . . 16 GLY H . 51983 1 66 . 1 . 1 16 16 GLY C C 13 174.301 . . 1 . . . . . 16 GLY C . 51983 1 67 . 1 . 1 16 16 GLY CA C 13 44.657 . . 1 . . . . . 16 GLY CA . 51983 1 68 . 1 . 1 16 16 GLY N N 15 113.349 . . 1 . . . . . 16 GLY N . 51983 1 69 . 1 . 1 17 17 VAL H H 1 8.023 . . 1 . . . . . 17 VAL H . 51983 1 70 . 1 . 1 17 17 VAL C C 13 174.733 . . 1 . . . . . 17 VAL C . 51983 1 71 . 1 . 1 17 17 VAL CA C 13 63.117 . . 1 . . . . . 17 VAL CA . 51983 1 72 . 1 . 1 17 17 VAL CB C 13 30.590 . . 1 . . . . . 17 VAL CB . 51983 1 73 . 1 . 1 17 17 VAL N N 15 122.143 . . 1 . . . . . 17 VAL N . 51983 1 74 . 1 . 1 18 18 GLY H H 1 7.246 . . 1 . . . . . 18 GLY H . 51983 1 75 . 1 . 1 18 18 GLY C C 13 171.853 . . 1 . . . . . 18 GLY C . 51983 1 76 . 1 . 1 18 18 GLY CA C 13 43.957 . . 1 . . . . . 18 GLY CA . 51983 1 77 . 1 . 1 18 18 GLY N N 15 112.435 . . 1 . . . . . 18 GLY N . 51983 1 78 . 1 . 1 19 19 PRO C C 13 178.483 . . 1 . . . . . 19 PRO C . 51983 1 79 . 1 . 1 19 19 PRO CA C 13 66.109 . . 1 . . . . . 19 PRO CA . 51983 1 80 . 1 . 1 19 19 PRO CB C 13 32.054 . . 1 . . . . . 19 PRO CB . 51983 1 81 . 1 . 1 20 20 LYS H H 1 8.137 . . 1 . . . . . 20 LYS H . 51983 1 82 . 1 . 1 20 20 LYS C C 13 179.132 . . 1 . . . . . 20 LYS C . 51983 1 83 . 1 . 1 20 20 LYS CA C 13 58.852 . . 1 . . . . . 20 LYS CA . 51983 1 84 . 1 . 1 20 20 LYS CB C 13 31.354 . . 1 . . . . . 20 LYS CB . 51983 1 85 . 1 . 1 20 20 LYS N N 15 116.861 . . 1 . . . . . 20 LYS N . 51983 1 86 . 1 . 1 21 21 LEU H H 1 7.814 . . 1 . . . . . 21 LEU H . 51983 1 87 . 1 . 1 21 21 LEU C C 13 178.473 . . 1 . . . . . 21 LEU C . 51983 1 88 . 1 . 1 21 21 LEU CA C 13 57.388 . . 1 . . . . . 21 LEU CA . 51983 1 89 . 1 . 1 21 21 LEU CB C 13 41.920 . . 1 . . . . . 21 LEU CB . 51983 1 90 . 1 . 1 21 21 LEU N N 15 120.871 . . 1 . . . . . 21 LEU N . 51983 1 91 . 1 . 1 22 22 ALA H H 1 8.559 . . 1 . . . . . 22 ALA H . 51983 1 92 . 1 . 1 22 22 ALA C C 13 178.425 . . 1 . . . . . 22 ALA C . 51983 1 93 . 1 . 1 22 22 ALA CA C 13 55.733 . . 1 . . . . . 22 ALA CA . 51983 1 94 . 1 . 1 22 22 ALA CB C 13 18.177 . . 1 . . . . . 22 ALA CB . 51983 1 95 . 1 . 1 22 22 ALA N N 15 120.146 . . 1 . . . . . 22 ALA N . 51983 1 96 . 1 . 1 23 23 GLU H H 1 7.681 . . 1 . . . . . 23 GLU H . 51983 1 97 . 1 . 1 23 23 GLU C C 13 177.933 . . 1 . . . . . 23 GLU C . 51983 1 98 . 1 . 1 23 23 GLU CA C 13 59.935 . . 1 . . . . . 23 GLU CA . 51983 1 99 . 1 . 1 23 23 GLU CB C 13 29.699 . . 1 . . . . . 23 GLU CB . 51983 1 100 . 1 . 1 23 23 GLU N N 15 115.509 . . 1 . . . . . 23 GLU N . 51983 1 101 . 1 . 1 24 24 ARG H H 1 7.566 . . 1 . . . . . 24 ARG H . 51983 1 102 . 1 . 1 24 24 ARG C C 13 180.151 . . 1 . . . . . 24 ARG C . 51983 1 103 . 1 . 1 24 24 ARG CA C 13 59.425 . . 1 . . . . . 24 ARG CA . 51983 1 104 . 1 . 1 24 24 ARG CB C 13 30.908 . . 1 . . . . . 24 ARG CB . 51983 1 105 . 1 . 1 24 24 ARG N N 15 117.789 . . 1 . . . . . 24 ARG N . 51983 1 106 . 1 . 1 25 25 ILE H H 1 8.397 . . 1 . . . . . 25 ILE H . 51983 1 107 . 1 . 1 25 25 ILE C C 13 176.291 . . 1 . . . . . 25 ILE C . 51983 1 108 . 1 . 1 25 25 ILE CA C 13 65.727 . . 1 . . . . . 25 ILE CA . 51983 1 109 . 1 . 1 25 25 ILE CB C 13 37.974 . . 1 . . . . . 25 ILE CB . 51983 1 110 . 1 . 1 25 25 ILE N N 15 120.860 . . 1 . . . . . 25 ILE N . 51983 1 111 . 1 . 1 26 26 LEU H H 1 7.663 . . 1 . . . . . 26 LEU H . 51983 1 112 . 1 . 1 26 26 LEU C C 13 180.067 . . 1 . . . . . 26 LEU C . 51983 1 113 . 1 . 1 26 26 LEU CA C 13 57.197 . . 1 . . . . . 26 LEU CA . 51983 1 114 . 1 . 1 26 26 LEU CB C 13 39.374 . . 1 . . . . . 26 LEU CB . 51983 1 115 . 1 . 1 26 26 LEU N N 15 116.812 . . 1 . . . . . 26 LEU N . 51983 1 116 . 1 . 1 27 27 GLU H H 1 8.341 . . 1 . . . . . 27 GLU H . 51983 1 117 . 1 . 1 27 27 GLU C C 13 179.815 . . 1 . . . . . 27 GLU C . 51983 1 118 . 1 . 1 27 27 GLU CA C 13 59.425 . . 1 . . . . . 27 GLU CA . 51983 1 119 . 1 . 1 27 27 GLU CB C 13 29.444 . . 1 . . . . . 27 GLU CB . 51983 1 120 . 1 . 1 27 27 GLU N N 15 119.481 . . 1 . . . . . 27 GLU N . 51983 1 121 . 1 . 1 28 28 ALA H H 1 7.463 . . 1 . . . . . 28 ALA H . 51983 1 122 . 1 . 1 28 28 ALA C C 13 178.796 . . 1 . . . . . 28 ALA C . 51983 1 123 . 1 . 1 28 28 ALA CA C 13 54.460 . . 1 . . . . . 28 ALA CA . 51983 1 124 . 1 . 1 28 28 ALA CB C 13 18.368 . . 1 . . . . . 28 ALA CB . 51983 1 125 . 1 . 1 28 28 ALA N N 15 120.437 . . 1 . . . . . 28 ALA N . 51983 1 126 . 1 . 1 29 29 VAL H H 1 7.047 . . 1 . . . . . 29 VAL H . 51983 1 127 . 1 . 1 29 29 VAL C C 13 174.505 . . 1 . . . . . 29 VAL C . 51983 1 128 . 1 . 1 29 29 VAL CA C 13 59.680 . . 1 . . . . . 29 VAL CA . 51983 1 129 . 1 . 1 29 29 VAL CB C 13 30.908 . . 1 . . . . . 29 VAL CB . 51983 1 130 . 1 . 1 29 29 VAL N N 15 106.219 . . 1 . . . . . 29 VAL N . 51983 1 131 . 1 . 1 30 30 ASP H H 1 7.696 . . 1 . . . . . 30 ASP H . 51983 1 132 . 1 . 1 30 30 ASP C C 13 175.176 . . 1 . . . . . 30 ASP C . 51983 1 133 . 1 . 1 30 30 ASP CA C 13 56.052 . . 1 . . . . . 30 ASP CA . 51983 1 134 . 1 . 1 30 30 ASP CB C 13 39.692 . . 1 . . . . . 30 ASP CB . 51983 1 135 . 1 . 1 30 30 ASP N N 15 121.054 . . 1 . . . . . 30 ASP N . 51983 1 136 . 1 . 1 31 31 TYR H H 1 8.759 . . 1 . . . . . 31 TYR H . 51983 1 137 . 1 . 1 31 31 TYR C C 13 173.330 . . 1 . . . . . 31 TYR C . 51983 1 138 . 1 . 1 31 31 TYR CA C 13 60.189 . . 1 . . . . . 31 TYR CA . 51983 1 139 . 1 . 1 31 31 TYR CB C 13 34.536 . . 1 . . . . . 31 TYR CB . 51983 1 140 . 1 . 1 31 31 TYR N N 15 108.043 . . 1 . . . . . 31 TYR N . 51983 1 141 . 1 . 1 32 32 ASP H H 1 7.115 . . 1 . . . . . 32 ASP H . 51983 1 142 . 1 . 1 32 32 ASP C C 13 176.327 . . 1 . . . . . 32 ASP C . 51983 1 143 . 1 . 1 32 32 ASP CA C 13 52.996 . . 1 . . . . . 32 ASP CA . 51983 1 144 . 1 . 1 32 32 ASP CB C 13 42.684 . . 1 . . . . . 32 ASP CB . 51983 1 145 . 1 . 1 32 32 ASP N N 15 117.532 . . 1 . . . . . 32 ASP N . 51983 1 146 . 1 . 1 33 33 LEU H H 1 9.065 . . 1 . . . . . 33 LEU H . 51983 1 147 . 1 . 1 33 33 LEU C C 13 178.401 . . 1 . . . . . 33 LEU C . 51983 1 148 . 1 . 1 33 33 LEU CA C 13 57.898 . . 1 . . . . . 33 LEU CA . 51983 1 149 . 1 . 1 33 33 LEU CB C 13 41.984 . . 1 . . . . . 33 LEU CB . 51983 1 150 . 1 . 1 33 33 LEU N N 15 126.475 . . 1 . . . . . 33 LEU N . 51983 1 151 . 1 . 1 34 34 GLU H H 1 8.184 . . 1 . . . . . 34 GLU H . 51983 1 152 . 1 . 1 34 34 GLU C C 13 179.779 . . 1 . . . . . 34 GLU C . 51983 1 153 . 1 . 1 34 34 GLU CA C 13 59.998 . . 1 . . . . . 34 GLU CA . 51983 1 154 . 1 . 1 34 34 GLU CB C 13 28.553 . . 1 . . . . . 34 GLU CB . 51983 1 155 . 1 . 1 34 34 GLU N N 15 118.040 . . 1 . . . . . 34 GLU N . 51983 1 156 . 1 . 1 35 35 ARG H H 1 7.999 . . 1 . . . . . 35 ARG H . 51983 1 157 . 1 . 1 35 35 ARG C C 13 179.468 . . 1 . . . . . 35 ARG C . 51983 1 158 . 1 . 1 35 35 ARG CA C 13 58.661 . . 1 . . . . . 35 ARG CA . 51983 1 159 . 1 . 1 35 35 ARG CB C 13 29.635 . . 1 . . . . . 35 ARG CB . 51983 1 160 . 1 . 1 35 35 ARG N N 15 121.867 . . 1 . . . . . 35 ARG N . 51983 1 161 . 1 . 1 36 36 LEU H H 1 7.837 . . 1 . . . . . 36 LEU H . 51983 1 162 . 1 . 1 36 36 LEU C C 13 175.872 . . 1 . . . . . 36 LEU C . 51983 1 163 . 1 . 1 36 36 LEU CA C 13 58.216 . . 1 . . . . . 36 LEU CA . 51983 1 164 . 1 . 1 36 36 LEU CB C 13 41.475 . . 1 . . . . . 36 LEU CB . 51983 1 165 . 1 . 1 36 36 LEU N N 15 119.901 . . 1 . . . . . 36 LEU N . 51983 1 166 . 1 . 1 37 37 ALA H H 1 7.835 . . 1 . . . . . 37 ALA H . 51983 1 167 . 1 . 1 37 37 ALA C C 13 177.825 . . 1 . . . . . 37 ALA C . 51983 1 168 . 1 . 1 37 37 ALA CA C 13 53.951 . . 1 . . . . . 37 ALA CA . 51983 1 169 . 1 . 1 37 37 ALA CB C 13 19.259 . . 1 . . . . . 37 ALA CB . 51983 1 170 . 1 . 1 37 37 ALA N N 15 114.209 . . 1 . . . . . 37 ALA N . 51983 1 171 . 1 . 1 38 38 SER H H 1 7.571 . . 1 . . . . . 38 SER H . 51983 1 172 . 1 . 1 38 38 SER C C 13 174.589 . . 1 . . . . . 38 SER C . 51983 1 173 . 1 . 1 38 38 SER CA C 13 59.298 . . 1 . . . . . 38 SER CA . 51983 1 174 . 1 . 1 38 38 SER CB C 13 64.199 . . 1 . . . . . 38 SER CB . 51983 1 175 . 1 . 1 38 38 SER N N 15 111.441 . . 1 . . . . . 38 SER N . 51983 1 176 . 1 . 1 39 39 LEU H H 1 7.194 . . 1 . . . . . 39 LEU H . 51983 1 177 . 1 . 1 39 39 LEU C C 13 176.207 . . 1 . . . . . 39 LEU C . 51983 1 178 . 1 . 1 39 39 LEU CA C 13 54.842 . . 1 . . . . . 39 LEU CA . 51983 1 179 . 1 . 1 39 39 LEU CB C 13 42.493 . . 1 . . . . . 39 LEU CB . 51983 1 180 . 1 . 1 39 39 LEU N N 15 123.538 . . 1 . . . . . 39 LEU N . 51983 1 181 . 1 . 1 40 40 ASN H H 1 8.608 . . 1 . . . . . 40 ASN H . 51983 1 182 . 1 . 1 40 40 ASN C C 13 175.736 . . 1 . . . . . 40 ASN C . 51983 1 183 . 1 . 1 40 40 ASN CA C 13 51.023 . . 1 . . . . . 40 ASN CA . 51983 1 184 . 1 . 1 40 40 ASN CB C 13 37.910 . . 1 . . . . . 40 ASN CB . 51983 1 185 . 1 . 1 40 40 ASN N N 15 117.639 . . 1 . . . . . 40 ASN N . 51983 1 186 . 1 . 1 41 41 PRO C C 13 177.238 . . 1 . . . . . 41 PRO C . 51983 1 187 . 1 . 1 41 41 PRO CA C 13 66.555 . . 1 . . . . . 41 PRO CA . 51983 1 188 . 1 . 1 41 41 PRO CB C 13 31.799 . . 1 . . . . . 41 PRO CB . 51983 1 189 . 1 . 1 42 42 GLU H H 1 9.318 . . 1 . . . . . 42 GLU H . 51983 1 190 . 1 . 1 42 42 GLU C C 13 179.084 . . 1 . . . . . 42 GLU C . 51983 1 191 . 1 . 1 42 42 GLU CA C 13 59.807 . . 1 . . . . . 42 GLU CA . 51983 1 192 . 1 . 1 42 42 GLU CB C 13 28.553 . . 1 . . . . . 42 GLU CB . 51983 1 193 . 1 . 1 42 42 GLU N N 15 115.721 . . 1 . . . . . 42 GLU N . 51983 1 194 . 1 . 1 43 43 GLU H H 1 7.531 . . 1 . . . . . 43 GLU H . 51983 1 195 . 1 . 1 43 43 GLU C C 13 179.084 . . 1 . . . . . 43 GLU C . 51983 1 196 . 1 . 1 43 43 GLU CA C 13 58.343 . . 1 . . . . . 43 GLU CA . 51983 1 197 . 1 . 1 43 43 GLU CB C 13 30.463 . . 1 . . . . . 43 GLU CB . 51983 1 198 . 1 . 1 43 43 GLU N N 15 119.402 . . 1 . . . . . 43 GLU N . 51983 1 199 . 1 . 1 44 44 LEU H H 1 7.518 . . 1 . . . . . 44 LEU H . 51983 1 200 . 1 . 1 44 44 LEU C C 13 177.729 . . 1 . . . . . 44 LEU C . 51983 1 201 . 1 . 1 44 44 LEU CA C 13 57.707 . . 1 . . . . . 44 LEU CA . 51983 1 202 . 1 . 1 44 44 LEU CB C 13 40.647 . . 1 . . . . . 44 LEU CB . 51983 1 203 . 1 . 1 44 44 LEU N N 15 119.372 . . 1 . . . . . 44 LEU N . 51983 1 204 . 1 . 1 45 45 ALA H H 1 8.141 . . 1 . . . . . 45 ALA H . 51983 1 205 . 1 . 1 45 45 ALA C C 13 178.688 . . 1 . . . . . 45 ALA C . 51983 1 206 . 1 . 1 45 45 ALA CA C 13 55.097 . . 1 . . . . . 45 ALA CA . 51983 1 207 . 1 . 1 45 45 ALA CB C 13 17.286 . . 1 . . . . . 45 ALA CB . 51983 1 208 . 1 . 1 45 45 ALA N N 15 118.415 . . 1 . . . . . 45 ALA N . 51983 1 209 . 1 . 1 46 46 GLU H H 1 7.342 . . 1 . . . . . 46 GLU H . 51983 1 210 . 1 . 1 46 46 GLU C C 13 178.041 . . 1 . . . . . 46 GLU C . 51983 1 211 . 1 . 1 46 46 GLU CA C 13 58.470 . . 1 . . . . . 46 GLU CA . 51983 1 212 . 1 . 1 46 46 GLU CB C 13 29.635 . . 1 . . . . . 46 GLU CB . 51983 1 213 . 1 . 1 46 46 GLU N N 15 115.105 . . 1 . . . . . 46 GLU N . 51983 1 214 . 1 . 1 47 47 LYS H H 1 7.374 . . 1 . . . . . 47 LYS H . 51983 1 215 . 1 . 1 47 47 LYS C C 13 176.387 . . 1 . . . . . 47 LYS C . 51983 1 216 . 1 . 1 47 47 LYS CA C 13 57.516 . . 1 . . . . . 47 LYS CA . 51983 1 217 . 1 . 1 47 47 LYS CB C 13 34.536 . . 1 . . . . . 47 LYS CB . 51983 1 218 . 1 . 1 47 47 LYS N N 15 116.162 . . 1 . . . . . 47 LYS N . 51983 1 219 . 1 . 1 48 48 VAL H H 1 7.400 . . 1 . . . . . 48 VAL H . 51983 1 220 . 1 . 1 48 48 VAL C C 13 173.930 . . 1 . . . . . 48 VAL C . 51983 1 221 . 1 . 1 48 48 VAL CA C 13 60.889 . . 1 . . . . . 48 VAL CA . 51983 1 222 . 1 . 1 48 48 VAL CB C 13 32.181 . . 1 . . . . . 48 VAL CB . 51983 1 223 . 1 . 1 48 48 VAL N N 15 119.642 . . 1 . . . . . 48 VAL N . 51983 1 224 . 1 . 1 49 49 GLU H H 1 8.452 . . 1 . . . . . 49 GLU H . 51983 1 225 . 1 . 1 49 49 GLU C C 13 177.478 . . 1 . . . . . 49 GLU C . 51983 1 226 . 1 . 1 49 49 GLU CA C 13 57.898 . . 1 . . . . . 49 GLU CA . 51983 1 227 . 1 . 1 49 49 GLU CB C 13 29.380 . . 1 . . . . . 49 GLU CB . 51983 1 228 . 1 . 1 49 49 GLU N N 15 128.351 . . 1 . . . . . 49 GLU N . 51983 1 229 . 1 . 1 50 50 GLY H H 1 8.824 . . 1 . . . . . 50 GLY H . 51983 1 230 . 1 . 1 50 50 GLY C C 13 173.738 . . 1 . . . . . 50 GLY C . 51983 1 231 . 1 . 1 50 50 GLY CA C 13 45.167 . . 1 . . . . . 50 GLY CA . 51983 1 232 . 1 . 1 50 50 GLY N N 15 113.514 . . 1 . . . . . 50 GLY N . 51983 1 233 . 1 . 1 51 51 LEU H H 1 7.724 . . 1 . . . . . 51 LEU H . 51983 1 234 . 1 . 1 51 51 LEU C C 13 176.075 . . 1 . . . . . 51 LEU C . 51983 1 235 . 1 . 1 51 51 LEU CA C 13 55.542 . . 1 . . . . . 51 LEU CA . 51983 1 236 . 1 . 1 51 51 LEU CB C 13 43.639 . . 1 . . . . . 51 LEU CB . 51983 1 237 . 1 . 1 51 51 LEU N N 15 122.604 . . 1 . . . . . 51 LEU N . 51983 1 238 . 1 . 1 52 52 GLY H H 1 8.540 . . 1 . . . . . 52 GLY H . 51983 1 239 . 1 . 1 52 52 GLY C C 13 173.690 . . 1 . . . . . 52 GLY C . 51983 1 240 . 1 . 1 52 52 GLY CA C 13 43.957 . . 1 . . . . . 52 GLY CA . 51983 1 241 . 1 . 1 52 52 GLY N N 15 109.510 . . 1 . . . . . 52 GLY N . 51983 1 242 . 1 . 1 53 53 GLU H H 1 8.660 . . 1 . . . . . 53 GLU H . 51983 1 243 . 1 . 1 53 53 GLU C C 13 178.005 . . 1 . . . . . 53 GLU C . 51983 1 244 . 1 . 1 53 53 GLU CA C 13 60.507 . . 1 . . . . . 53 GLU CA . 51983 1 245 . 1 . 1 53 53 GLU CB C 13 29.380 . . 1 . . . . . 53 GLU CB . 51983 1 246 . 1 . 1 53 53 GLU N N 15 119.841 . . 1 . . . . . 53 GLU N . 51983 1 247 . 1 . 1 54 54 GLU H H 1 8.552 . . 1 . . . . . 54 GLU H . 51983 1 248 . 1 . 1 54 54 GLU C C 13 179.360 . . 1 . . . . . 54 GLU C . 51983 1 249 . 1 . 1 54 54 GLU CA C 13 60.125 . . 1 . . . . . 54 GLU CA . 51983 1 250 . 1 . 1 54 54 GLU CB C 13 28.871 . . 1 . . . . . 54 GLU CB . 51983 1 251 . 1 . 1 54 54 GLU N N 15 119.798 . . 1 . . . . . 54 GLU N . 51983 1 252 . 1 . 1 55 55 LEU H H 1 8.309 . . 1 . . . . . 55 LEU H . 51983 1 253 . 1 . 1 55 55 LEU C C 13 178.856 . . 1 . . . . . 55 LEU C . 51983 1 254 . 1 . 1 55 55 LEU CA C 13 57.006 . . 1 . . . . . 55 LEU CA . 51983 1 255 . 1 . 1 55 55 LEU CB C 13 41.220 . . 1 . . . . . 55 LEU CB . 51983 1 256 . 1 . 1 55 55 LEU N N 15 120.666 . . 1 . . . . . 55 LEU N . 51983 1 257 . 1 . 1 56 56 ALA H H 1 8.263 . . 1 . . . . . 56 ALA H . 51983 1 258 . 1 . 1 56 56 ALA C C 13 179.108 . . 1 . . . . . 56 ALA C . 51983 1 259 . 1 . 1 56 56 ALA CA C 13 55.924 . . 1 . . . . . 56 ALA CA . 51983 1 260 . 1 . 1 56 56 ALA CB C 13 19.005 . . 1 . . . . . 56 ALA CB . 51983 1 261 . 1 . 1 56 56 ALA N N 15 120.537 . . 1 . . . . . 56 ALA N . 51983 1 262 . 1 . 1 57 57 GLU H H 1 8.035 . . 1 . . . . . 57 GLU H . 51983 1 263 . 1 . 1 57 57 GLU C C 13 177.334 . . 1 . . . . . 57 GLU C . 51983 1 264 . 1 . 1 57 57 GLU CA C 13 60.062 . . 1 . . . . . 57 GLU CA . 51983 1 265 . 1 . 1 57 57 GLU CB C 13 29.253 . . 1 . . . . . 57 GLU CB . 51983 1 266 . 1 . 1 57 57 GLU N N 15 116.661 . . 1 . . . . . 57 GLU N . 51983 1 267 . 1 . 1 58 58 ARG H H 1 7.367 . . 1 . . . . . 58 ARG H . 51983 1 268 . 1 . 1 58 58 ARG C C 13 179.995 . . 1 . . . . . 58 ARG C . 51983 1 269 . 1 . 1 58 58 ARG CA C 13 59.680 . . 1 . . . . . 58 ARG CA . 51983 1 270 . 1 . 1 58 58 ARG CB C 13 30.590 . . 1 . . . . . 58 ARG CB . 51983 1 271 . 1 . 1 58 58 ARG N N 15 117.325 . . 1 . . . . . 58 ARG N . 51983 1 272 . 1 . 1 59 59 VAL H H 1 8.402 . . 1 . . . . . 59 VAL H . 51983 1 273 . 1 . 1 59 59 VAL C C 13 177.106 . . 1 . . . . . 59 VAL C . 51983 1 274 . 1 . 1 59 59 VAL CA C 13 67.000 . . 1 . . . . . 59 VAL CA . 51983 1 275 . 1 . 1 59 59 VAL CB C 13 31.608 . . 1 . . . . . 59 VAL CB . 51983 1 276 . 1 . 1 59 59 VAL N N 15 119.438 . . 1 . . . . . 59 VAL N . 51983 1 277 . 1 . 1 60 60 VAL H H 1 8.383 . . 1 . . . . . 60 VAL H . 51983 1 278 . 1 . 1 60 60 VAL C C 13 178.628 . . 1 . . . . . 60 VAL C . 51983 1 279 . 1 . 1 60 60 VAL CA C 13 67.637 . . 1 . . . . . 60 VAL CA . 51983 1 280 . 1 . 1 60 60 VAL CB C 13 32.118 . . 1 . . . . . 60 VAL CB . 51983 1 281 . 1 . 1 60 60 VAL N N 15 119.255 . . 1 . . . . . 60 VAL N . 51983 1 282 . 1 . 1 61 61 TYR H H 1 8.589 . . 1 . . . . . 61 TYR H . 51983 1 283 . 1 . 1 61 61 TYR C C 13 179.060 . . 1 . . . . . 61 TYR C . 51983 1 284 . 1 . 1 61 61 TYR CA C 13 61.335 . . 1 . . . . . 61 TYR CA . 51983 1 285 . 1 . 1 61 61 TYR CB C 13 36.637 . . 1 . . . . . 61 TYR CB . 51983 1 286 . 1 . 1 61 61 TYR N N 15 118.468 . . 1 . . . . . 61 TYR N . 51983 1 287 . 1 . 1 62 62 ALA H H 1 8.044 . . 1 . . . . . 62 ALA H . 51983 1 288 . 1 . 1 62 62 ALA C C 13 180.690 . . 1 . . . . . 62 ALA C . 51983 1 289 . 1 . 1 62 62 ALA CA C 13 55.033 . . 1 . . . . . 62 ALA CA . 51983 1 290 . 1 . 1 62 62 ALA CB C 13 18.496 . . 1 . . . . . 62 ALA CB . 51983 1 291 . 1 . 1 62 62 ALA N N 15 122.420 . . 1 . . . . . 62 ALA N . 51983 1 292 . 1 . 1 63 63 ALA H H 1 8.625 . . 1 . . . . . 63 ALA H . 51983 1 293 . 1 . 1 63 63 ALA C C 13 179.168 . . 1 . . . . . 63 ALA C . 51983 1 294 . 1 . 1 63 63 ALA CA C 13 55.288 . . 1 . . . . . 63 ALA CA . 51983 1 295 . 1 . 1 63 63 ALA CB C 13 17.477 . . 1 . . . . . 63 ALA CB . 51983 1 296 . 1 . 1 63 63 ALA N N 15 122.065 . . 1 . . . . . 63 ALA N . 51983 1 297 . 1 . 1 64 64 ARG H H 1 8.724 . . 1 . . . . . 64 ARG H . 51983 1 298 . 1 . 1 64 64 ARG C C 13 178.593 . . 1 . . . . . 64 ARG C . 51983 1 299 . 1 . 1 64 64 ARG CA C 13 60.253 . . 1 . . . . . 64 ARG CA . 51983 1 300 . 1 . 1 64 64 ARG CB C 13 29.826 . . 1 . . . . . 64 ARG CB . 51983 1 301 . 1 . 1 64 64 ARG N N 15 118.490 . . 1 . . . . . 64 ARG N . 51983 1 302 . 1 . 1 65 65 GLU H H 1 7.829 . . 1 . . . . . 65 GLU H . 51983 1 303 . 1 . 1 65 65 GLU C C 13 179.024 . . 1 . . . . . 65 GLU C . 51983 1 304 . 1 . 1 65 65 GLU CA C 13 59.298 . . 1 . . . . . 65 GLU CA . 51983 1 305 . 1 . 1 65 65 GLU CB C 13 29.380 . . 1 . . . . . 65 GLU CB . 51983 1 306 . 1 . 1 65 65 GLU N N 15 119.212 . . 1 . . . . . 65 GLU N . 51983 1 307 . 1 . 1 66 66 ARG H H 1 7.576 . . 1 . . . . . 66 ARG H . 51983 1 308 . 1 . 1 66 66 ARG C C 13 178.916 . . 1 . . . . . 66 ARG C . 51983 1 309 . 1 . 1 66 66 ARG CA C 13 58.025 . . 1 . . . . . 66 ARG CA . 51983 1 310 . 1 . 1 66 66 ARG CB C 13 29.508 . . 1 . . . . . 66 ARG CB . 51983 1 311 . 1 . 1 66 66 ARG N N 15 119.342 . . 1 . . . . . 66 ARG N . 51983 1 312 . 1 . 1 67 67 VAL H H 1 8.106 . . 1 . . . . . 67 VAL H . 51983 1 313 . 1 . 1 67 67 VAL C C 13 178.405 . . 1 . . . . . 67 VAL C . 51983 1 314 . 1 . 1 67 67 VAL CA C 13 65.982 . . 1 . . . . . 67 VAL CA . 51983 1 315 . 1 . 1 67 67 VAL CB C 13 31.863 . . 1 . . . . . 67 VAL CB . 51983 1 316 . 1 . 1 67 67 VAL N N 15 119.287 . . 1 . . . . . 67 VAL N . 51983 1 317 . 1 . 1 68 68 GLU H H 1 8.150 . . 1 . . . . . 68 GLU H . 51983 1 318 . 1 . 1 68 68 GLU C C 13 178.808 . . 1 . . . . . 68 GLU C . 51983 1 319 . 1 . 1 68 68 GLU CA C 13 58.789 . . 1 . . . . . 68 GLU CA . 51983 1 320 . 1 . 1 68 68 GLU CB C 13 29.126 . . 1 . . . . . 68 GLU CB . 51983 1 321 . 1 . 1 68 68 GLU N N 15 120.181 . . 1 . . . . . 68 GLU N . 51983 1 322 . 1 . 1 69 69 SER H H 1 8.043 . . 1 . . . . . 69 SER H . 51983 1 323 . 1 . 1 69 69 SER C C 13 176.423 . . 1 . . . . . 69 SER C . 51983 1 324 . 1 . 1 69 69 SER CA C 13 60.889 . . 1 . . . . . 69 SER CA . 51983 1 325 . 1 . 1 69 69 SER CB C 13 63.054 . . 1 . . . . . 69 SER CB . 51983 1 326 . 1 . 1 69 69 SER N N 15 114.315 . . 1 . . . . . 69 SER N . 51983 1 327 . 1 . 1 70 70 ARG H H 1 7.738 . . 1 . . . . . 70 ARG H . 51983 1 328 . 1 . 1 70 70 ARG C C 13 177.658 . . 1 . . . . . 70 ARG C . 51983 1 329 . 1 . 1 70 70 ARG CA C 13 57.643 . . 1 . . . . . 70 ARG CA . 51983 1 330 . 1 . 1 70 70 ARG CB C 13 30.272 . . 1 . . . . . 70 ARG CB . 51983 1 331 . 1 . 1 70 70 ARG N N 15 121.043 . . 1 . . . . . 70 ARG N . 51983 1 332 . 1 . 1 71 71 ARG H H 1 7.840 . . 1 . . . . . 71 ARG H . 51983 1 333 . 1 . 1 71 71 ARG C C 13 177.454 . . 1 . . . . . 71 ARG C . 51983 1 334 . 1 . 1 71 71 ARG CA C 13 57.707 . . 1 . . . . . 71 ARG CA . 51983 1 335 . 1 . 1 71 71 ARG CB C 13 30.399 . . 1 . . . . . 71 ARG CB . 51983 1 336 . 1 . 1 71 71 ARG N N 15 119.977 . . 1 . . . . . 71 ARG N . 51983 1 337 . 1 . 1 72 72 LYS H H 1 8.006 . . 1 . . . . . 72 LYS H . 51983 1 338 . 1 . 1 72 72 LYS C C 13 177.142 . . 1 . . . . . 72 LYS C . 51983 1 339 . 1 . 1 72 72 LYS CA C 13 57.134 . . 1 . . . . . 72 LYS CA . 51983 1 340 . 1 . 1 72 72 LYS CB C 13 32.754 . . 1 . . . . . 72 LYS CB . 51983 1 341 . 1 . 1 72 72 LYS N N 15 120.214 . . 1 . . . . . 72 LYS N . 51983 1 342 . 1 . 1 73 73 SER H H 1 8.100 . . 1 . . . . . 73 SER H . 51983 1 343 . 1 . 1 73 73 SER C C 13 175.152 . . 1 . . . . . 73 SER C . 51983 1 344 . 1 . 1 73 73 SER CA C 13 58.916 . . 1 . . . . . 73 SER CA . 51983 1 345 . 1 . 1 73 73 SER CB C 13 63.881 . . 1 . . . . . 73 SER CB . 51983 1 346 . 1 . 1 73 73 SER N N 15 115.571 . . 1 . . . . . 73 SER N . 51983 1 347 . 1 . 1 74 74 GLY H H 1 8.254 . . 1 . . . . . 74 GLY H . 51983 1 348 . 1 . 1 74 74 GLY C C 13 173.986 . . 1 . . . . . 74 GLY C . 51983 1 349 . 1 . 1 74 74 GLY CA C 13 45.358 . . 1 . . . . . 74 GLY CA . 51983 1 350 . 1 . 1 74 74 GLY N N 15 110.358 . . 1 . . . . . 74 GLY N . 51983 1 351 . 1 . 1 75 75 ARG H H 1 8.103 . . 1 . . . . . 75 ARG H . 51983 1 352 . 1 . 1 75 75 ARG C C 13 176.111 . . 1 . . . . . 75 ARG C . 51983 1 353 . 1 . 1 75 75 ARG CA C 13 56.052 . . 1 . . . . . 75 ARG CA . 51983 1 354 . 1 . 1 75 75 ARG CB C 13 30.781 . . 1 . . . . . 75 ARG CB . 51983 1 355 . 1 . 1 75 75 ARG N N 15 120.612 . . 1 . . . . . 75 ARG N . 51983 1 356 . 1 . 1 76 76 GLN H H 1 8.521 . . 1 . . . . . 76 GLN H . 51983 1 357 . 1 . 1 76 76 GLN C C 13 175.500 . . 1 . . . . . 76 GLN C . 51983 1 358 . 1 . 1 76 76 GLN CA C 13 55.542 . . 1 . . . . . 76 GLN CA . 51983 1 359 . 1 . 1 76 76 GLN CB C 13 29.508 . . 1 . . . . . 76 GLN CB . 51983 1 360 . 1 . 1 76 76 GLN N N 15 122.433 . . 1 . . . . . 76 GLN N . 51983 1 361 . 1 . 1 77 77 GLU H H 1 8.413 . . 1 . . . . . 77 GLU H . 51983 1 362 . 1 . 1 77 77 GLU C C 13 176.027 . . 1 . . . . . 77 GLU C . 51983 1 363 . 1 . 1 77 77 GLU CA C 13 56.179 . . 1 . . . . . 77 GLU CA . 51983 1 364 . 1 . 1 77 77 GLU CB C 13 30.205 . . 1 . . . . . 77 GLU CB . 51983 1 365 . 1 . 1 77 77 GLU N N 15 123.678 . . 1 . . . . . 77 GLU N . 51983 1 366 . 1 . 1 78 78 ARG H H 1 8.324 . . 1 . . . . . 78 ARG H . 51983 1 367 . 1 . 1 78 78 ARG C C 13 175.931 . . 1 . . . . . 78 ARG C . 51983 1 368 . 1 . 1 78 78 ARG CA C 13 55.479 . . 1 . . . . . 78 ARG CA . 51983 1 369 . 1 . 1 78 78 ARG CB C 13 30.654 . . 1 . . . . . 78 ARG CB . 51983 1 370 . 1 . 1 78 78 ARG N N 15 123.407 . . 1 . . . . . 78 ARG N . 51983 1 371 . 1 . 1 79 79 SER H H 1 8.882 . . 1 . . . . . 79 SER H . 51983 1 372 . 1 . 1 79 79 SER C C 13 174.469 . . 1 . . . . . 79 SER C . 51983 1 373 . 1 . 1 79 79 SER CA C 13 57.070 . . 1 . . . . . 79 SER CA . 51983 1 374 . 1 . 1 79 79 SER CB C 13 65.727 . . 1 . . . . . 79 SER CB . 51983 1 375 . 1 . 1 79 79 SER N N 15 119.100 . . 1 . . . . . 79 SER N . 51983 1 376 . 1 . 1 80 80 GLU H H 1 8.981 . . 1 . . . . . 80 GLU H . 51983 1 377 . 1 . 1 80 80 GLU C C 13 178.281 . . 1 . . . . . 80 GLU C . 51983 1 378 . 1 . 1 80 80 GLU CA C 13 59.807 . . 1 . . . . . 80 GLU CA . 51983 1 379 . 1 . 1 80 80 GLU CB C 13 28.998 . . 1 . . . . . 80 GLU CB . 51983 1 380 . 1 . 1 80 80 GLU N N 15 122.087 . . 1 . . . . . 80 GLU N . 51983 1 381 . 1 . 1 81 81 GLU H H 1 8.658 . . 1 . . . . . 81 GLU H . 51983 1 382 . 1 . 1 81 81 GLU C C 13 179.683 . . 1 . . . . . 81 GLU C . 51983 1 383 . 1 . 1 81 81 GLU CA C 13 59.935 . . 1 . . . . . 81 GLU CA . 51983 1 384 . 1 . 1 81 81 GLU CB C 13 29.062 . . 1 . . . . . 81 GLU CB . 51983 1 385 . 1 . 1 81 81 GLU N N 15 117.073 . . 1 . . . . . 81 GLU N . 51983 1 386 . 1 . 1 82 82 GLU H H 1 7.852 . . 1 . . . . . 82 GLU H . 51983 1 387 . 1 . 1 82 82 GLU C C 13 181.026 . . 1 . . . . . 82 GLU C . 51983 1 388 . 1 . 1 82 82 GLU CA C 13 58.980 . . 1 . . . . . 82 GLU CA . 51983 1 389 . 1 . 1 82 82 GLU CB C 13 29.762 . . 1 . . . . . 82 GLU CB . 51983 1 390 . 1 . 1 82 82 GLU N N 15 120.483 . . 1 . . . . . 82 GLU N . 51983 1 391 . 1 . 1 83 83 TRP H H 1 9.011 . . 1 . . . . . 83 TRP H . 51983 1 392 . 1 . 1 83 83 TRP C C 13 178.425 . . 1 . . . . . 83 TRP C . 51983 1 393 . 1 . 1 83 83 TRP CA C 13 60.762 . . 1 . . . . . 83 TRP CA . 51983 1 394 . 1 . 1 83 83 TRP CB C 13 29.953 . . 1 . . . . . 83 TRP CB . 51983 1 395 . 1 . 1 83 83 TRP N N 15 122.196 . . 1 . . . . . 83 TRP N . 51983 1 396 . 1 . 1 84 84 LYS H H 1 8.514 . . 1 . . . . . 84 LYS H . 51983 1 397 . 1 . 1 84 84 LYS C C 13 177.658 . . 1 . . . . . 84 LYS C . 51983 1 398 . 1 . 1 84 84 LYS CA C 13 61.271 . . 1 . . . . . 84 LYS CA . 51983 1 399 . 1 . 1 84 84 LYS CB C 13 32.181 . . 1 . . . . . 84 LYS CB . 51983 1 400 . 1 . 1 84 84 LYS N N 15 121.334 . . 1 . . . . . 84 LYS N . 51983 1 401 . 1 . 1 85 85 GLU H H 1 7.950 . . 1 . . . . . 85 GLU H . 51983 1 402 . 1 . 1 85 85 GLU C C 13 178.449 . . 1 . . . . . 85 GLU C . 51983 1 403 . 1 . 1 85 85 GLU CA C 13 59.553 . . 1 . . . . . 85 GLU CA . 51983 1 404 . 1 . 1 85 85 GLU CB C 13 29.571 . . 1 . . . . . 85 GLU CB . 51983 1 405 . 1 . 1 85 85 GLU N N 15 118.140 . . 1 . . . . . 85 GLU N . 51983 1 406 . 1 . 1 86 86 TRP H H 1 8.280 . . 1 . . . . . 86 TRP H . 51983 1 407 . 1 . 1 86 86 TRP C C 13 178.197 . . 1 . . . . . 86 TRP C . 51983 1 408 . 1 . 1 86 86 TRP CA C 13 62.353 . . 1 . . . . . 86 TRP CA . 51983 1 409 . 1 . 1 86 86 TRP CB C 13 29.189 . . 1 . . . . . 86 TRP CB . 51983 1 410 . 1 . 1 86 86 TRP N N 15 121.151 . . 1 . . . . . 86 TRP N . 51983 1 411 . 1 . 1 87 87 LEU H H 1 9.011 . . 1 . . . . . 87 LEU H . 51983 1 412 . 1 . 1 87 87 LEU C C 13 179.132 . . 1 . . . . . 87 LEU C . 51983 1 413 . 1 . 1 87 87 LEU CA C 13 58.152 . . 1 . . . . . 87 LEU CA . 51983 1 414 . 1 . 1 87 87 LEU CB C 13 43.384 . . 1 . . . . . 87 LEU CB . 51983 1 415 . 1 . 1 87 87 LEU N N 15 118.250 . . 1 . . . . . 87 LEU N . 51983 1 416 . 1 . 1 88 88 GLU H H 1 8.511 . . 1 . . . . . 88 GLU H . 51983 1 417 . 1 . 1 88 88 GLU C C 13 179.983 . . 1 . . . . . 88 GLU C . 51983 1 418 . 1 . 1 88 88 GLU CA C 13 59.807 . . 1 . . . . . 88 GLU CA . 51983 1 419 . 1 . 1 88 88 GLU CB C 13 29.998 . . 1 . . . . . 88 GLU CB . 51983 1 420 . 1 . 1 88 88 GLU N N 15 118.202 . . 1 . . . . . 88 GLU N . 51983 1 421 . 1 . 1 89 89 ARG H H 1 8.076 . . 1 . . . . . 89 ARG H . 51983 1 422 . 1 . 1 89 89 ARG C C 13 178.461 . . 1 . . . . . 89 ARG C . 51983 1 423 . 1 . 1 89 89 ARG CA C 13 58.980 . . 1 . . . . . 89 ARG CA . 51983 1 424 . 1 . 1 89 89 ARG CB C 13 29.953 . . 1 . . . . . 89 ARG CB . 51983 1 425 . 1 . 1 89 89 ARG N N 15 119.406 . . 1 . . . . . 89 ARG N . 51983 1 426 . 1 . 1 90 90 LYS H H 1 7.648 . . 1 . . . . . 90 LYS H . 51983 1 427 . 1 . 1 90 90 LYS C C 13 178.712 . . 1 . . . . . 90 LYS C . 51983 1 428 . 1 . 1 90 90 LYS CA C 13 57.325 . . 1 . . . . . 90 LYS CA . 51983 1 429 . 1 . 1 90 90 LYS CB C 13 33.645 . . 1 . . . . . 90 LYS CB . 51983 1 430 . 1 . 1 90 90 LYS N N 15 116.711 . . 1 . . . . . 90 LYS N . 51983 1 431 . 1 . 1 91 91 VAL H H 1 8.184 . . 1 . . . . . 91 VAL H . 51983 1 432 . 1 . 1 91 91 VAL C C 13 176.339 . . 1 . . . . . 91 VAL C . 51983 1 433 . 1 . 1 91 91 VAL CA C 13 60.125 . . 1 . . . . . 91 VAL CA . 51983 1 434 . 1 . 1 91 91 VAL CB C 13 33.582 . . 1 . . . . . 91 VAL CB . 51983 1 435 . 1 . 1 91 91 VAL N N 15 105.173 . . 1 . . . . . 91 VAL N . 51983 1 436 . 1 . 1 92 92 GLY H H 1 7.731 . . 1 . . . . . 92 GLY H . 51983 1 437 . 1 . 1 92 92 GLY C C 13 173.558 . . 1 . . . . . 92 GLY C . 51983 1 438 . 1 . 1 92 92 GLY CA C 13 44.785 . . 1 . . . . . 92 GLY CA . 51983 1 439 . 1 . 1 92 92 GLY N N 15 113.326 . . 1 . . . . . 92 GLY N . 51983 1 440 . 1 . 1 93 93 GLU H H 1 8.861 . . 1 . . . . . 93 GLU H . 51983 1 441 . 1 . 1 93 93 GLU C C 13 178.569 . . 1 . . . . . 93 GLU C . 51983 1 442 . 1 . 1 93 93 GLU CA C 13 61.017 . . 1 . . . . . 93 GLU CA . 51983 1 443 . 1 . 1 93 93 GLU CB C 13 29.762 . . 1 . . . . . 93 GLU CB . 51983 1 444 . 1 . 1 93 93 GLU N N 15 119.580 . . 1 . . . . . 93 GLU N . 51983 1 445 . 1 . 1 94 94 GLY H H 1 8.759 . . 1 . . . . . 94 GLY H . 51983 1 446 . 1 . 1 94 94 GLY C C 13 177.298 . . 1 . . . . . 94 GLY C . 51983 1 447 . 1 . 1 94 94 GLY CA C 13 47.331 . . 1 . . . . . 94 GLY CA . 51983 1 448 . 1 . 1 94 94 GLY N N 15 108.322 . . 1 . . . . . 94 GLY N . 51983 1 449 . 1 . 1 95 95 ARG H H 1 8.717 . . 1 . . . . . 95 ARG H . 51983 1 450 . 1 . 1 95 95 ARG C C 13 178.089 . . 1 . . . . . 95 ARG C . 51983 1 451 . 1 . 1 95 95 ARG CA C 13 60.189 . . 1 . . . . . 95 ARG CA . 51983 1 452 . 1 . 1 95 95 ARG CB C 13 30.272 . . 1 . . . . . 95 ARG CB . 51983 1 453 . 1 . 1 95 95 ARG N N 15 121.912 . . 1 . . . . . 95 ARG N . 51983 1 454 . 1 . 1 96 96 ALA H H 1 8.245 . . 1 . . . . . 96 ALA H . 51983 1 455 . 1 . 1 96 96 ALA C C 13 178.652 . . 1 . . . . . 96 ALA C . 51983 1 456 . 1 . 1 96 96 ALA CA C 13 55.988 . . 1 . . . . . 96 ALA CA . 51983 1 457 . 1 . 1 96 96 ALA CB C 13 19.132 . . 1 . . . . . 96 ALA CB . 51983 1 458 . 1 . 1 96 96 ALA N N 15 121.043 . . 1 . . . . . 96 ALA N . 51983 1 459 . 1 . 1 97 97 ARG H H 1 8.118 . . 1 . . . . . 97 ARG H . 51983 1 460 . 1 . 1 97 97 ARG C C 13 178.473 . . 1 . . . . . 97 ARG C . 51983 1 461 . 1 . 1 97 97 ARG CA C 13 59.616 . . 1 . . . . . 97 ARG CA . 51983 1 462 . 1 . 1 97 97 ARG CB C 13 29.444 . . 1 . . . . . 97 ARG CB . 51983 1 463 . 1 . 1 97 97 ARG N N 15 116.887 . . 1 . . . . . 97 ARG N . 51983 1 464 . 1 . 1 98 98 ARG H H 1 7.556 . . 1 . . . . . 98 ARG H . 51983 1 465 . 1 . 1 98 98 ARG C C 13 179.695 . . 1 . . . . . 98 ARG C . 51983 1 466 . 1 . 1 98 98 ARG CA C 13 59.107 . . 1 . . . . . 98 ARG CA . 51983 1 467 . 1 . 1 98 98 ARG CB C 13 30.017 . . 1 . . . . . 98 ARG CB . 51983 1 468 . 1 . 1 98 98 ARG N N 15 117.664 . . 1 . . . . . 98 ARG N . 51983 1 469 . 1 . 1 99 99 LEU H H 1 7.937 . . 1 . . . . . 99 LEU H . 51983 1 470 . 1 . 1 99 99 LEU C C 13 177.634 . . 1 . . . . . 99 LEU C . 51983 1 471 . 1 . 1 99 99 LEU CA C 13 58.916 . . 1 . . . . . 99 LEU CA . 51983 1 472 . 1 . 1 99 99 LEU CB C 13 42.621 . . 1 . . . . . 99 LEU CB . 51983 1 473 . 1 . 1 99 99 LEU N N 15 119.503 . . 1 . . . . . 99 LEU N . 51983 1 474 . 1 . 1 100 100 ILE H H 1 8.455 . . 1 . . . . . 100 ILE H . 51983 1 475 . 1 . 1 100 100 ILE C C 13 178.341 . . 1 . . . . . 100 ILE C . 51983 1 476 . 1 . 1 100 100 ILE CA C 13 65.918 . . 1 . . . . . 100 ILE CA . 51983 1 477 . 1 . 1 100 100 ILE CB C 13 38.228 . . 1 . . . . . 100 ILE CB . 51983 1 478 . 1 . 1 100 100 ILE N N 15 120.386 . . 1 . . . . . 100 ILE N . 51983 1 479 . 1 . 1 101 101 GLU H H 1 8.585 . . 1 . . . . . 101 GLU H . 51983 1 480 . 1 . 1 101 101 GLU C C 13 178.533 . . 1 . . . . . 101 GLU C . 51983 1 481 . 1 . 1 101 101 GLU CA C 13 58.916 . . 1 . . . . . 101 GLU CA . 51983 1 482 . 1 . 1 101 101 GLU CB C 13 29.508 . . 1 . . . . . 101 GLU CB . 51983 1 483 . 1 . 1 101 101 GLU N N 15 118.315 . . 1 . . . . . 101 GLU N . 51983 1 484 . 1 . 1 102 102 TYR H H 1 7.755 . . 1 . . . . . 102 TYR H . 51983 1 485 . 1 . 1 102 102 TYR C C 13 177.634 . . 1 . . . . . 102 TYR C . 51983 1 486 . 1 . 1 102 102 TYR CA C 13 61.653 . . 1 . . . . . 102 TYR CA . 51983 1 487 . 1 . 1 102 102 TYR CB C 13 39.476 . . 1 . . . . . 102 TYR CB . 51983 1 488 . 1 . 1 102 102 TYR N N 15 118.910 . . 1 . . . . . 102 TYR N . 51983 1 489 . 1 . 1 103 103 PHE H H 1 8.056 . . 1 . . . . . 103 PHE H . 51983 1 490 . 1 . 1 103 103 PHE C C 13 176.627 . . 1 . . . . . 103 PHE C . 51983 1 491 . 1 . 1 103 103 PHE CA C 13 60.444 . . 1 . . . . . 103 PHE CA . 51983 1 492 . 1 . 1 103 103 PHE CB C 13 39.374 . . 1 . . . . . 103 PHE CB . 51983 1 493 . 1 . 1 103 103 PHE N N 15 112.819 . . 1 . . . . . 103 PHE N . 51983 1 494 . 1 . 1 104 104 GLY H H 1 8.263 . . 1 . . . . . 104 GLY H . 51983 1 495 . 1 . 1 104 104 GLY C C 13 173.414 . . 1 . . . . . 104 GLY C . 51983 1 496 . 1 . 1 104 104 GLY CA C 13 46.376 . . 1 . . . . . 104 GLY CA . 51983 1 497 . 1 . 1 104 104 GLY N N 15 110.628 . . 1 . . . . . 104 GLY N . 51983 1 498 . 1 . 1 105 105 SER H H 1 7.227 . . 1 . . . . . 105 SER H . 51983 1 499 . 1 . 1 105 105 SER C C 13 173.354 . . 1 . . . . . 105 SER C . 51983 1 500 . 1 . 1 105 105 SER CA C 13 57.643 . . 1 . . . . . 105 SER CA . 51983 1 501 . 1 . 1 105 105 SER CB C 13 64.199 . . 1 . . . . . 105 SER CB . 51983 1 502 . 1 . 1 105 105 SER N N 15 109.712 . . 1 . . . . . 105 SER N . 51983 1 503 . 1 . 1 106 106 ALA H H 1 11.520 . . 1 . . . . . 106 ALA H . 51983 1 504 . 1 . 1 106 106 ALA C C 13 180.273 . . 1 . . . . . 106 ALA C . 51983 1 505 . 1 . 1 106 106 ALA CA C 13 55.160 . . 1 . . . . . 106 ALA CA . 51983 1 506 . 1 . 1 106 106 ALA CB C 13 18.305 . . 1 . . . . . 106 ALA CB . 51983 1 507 . 1 . 1 106 106 ALA N N 15 128.121 . . 1 . . . . . 106 ALA N . 51983 1 508 . 1 . 1 107 107 GLY H H 1 9.992 . . 1 . . . . . 107 GLY H . 51983 1 509 . 1 . 1 107 107 GLY C C 13 176.878 . . 1 . . . . . 107 GLY C . 51983 1 510 . 1 . 1 107 107 GLY CA C 13 46.885 . . 1 . . . . . 107 GLY CA . 51983 1 511 . 1 . 1 107 107 GLY N N 15 108.113 . . 1 . . . . . 107 GLY N . 51983 1 512 . 1 . 1 108 108 GLU H H 1 7.696 . . 1 . . . . . 108 GLU H . 51983 1 513 . 1 . 1 108 108 GLU C C 13 178.593 . . 1 . . . . . 108 GLU C . 51983 1 514 . 1 . 1 108 108 GLU CA C 13 58.661 . . 1 . . . . . 108 GLU CA . 51983 1 515 . 1 . 1 108 108 GLU CB C 13 29.189 . . 1 . . . . . 108 GLU CB . 51983 1 516 . 1 . 1 108 108 GLU N N 15 121.464 . . 1 . . . . . 108 GLU N . 51983 1 517 . 1 . 1 109 109 VAL H H 1 6.908 . . 1 . . . . . 109 VAL H . 51983 1 518 . 1 . 1 109 109 VAL C C 13 177.813 . . 1 . . . . . 109 VAL C . 51983 1 519 . 1 . 1 109 109 VAL CA C 13 66.236 . . 1 . . . . . 109 VAL CA . 51983 1 520 . 1 . 1 109 109 VAL CB C 13 30.908 . . 1 . . . . . 109 VAL CB . 51983 1 521 . 1 . 1 109 109 VAL N N 15 118.489 . . 1 . . . . . 109 VAL N . 51983 1 522 . 1 . 1 110 110 GLY H H 1 7.955 . . 1 . . . . . 110 GLY H . 51983 1 523 . 1 . 1 110 110 GLY C C 13 174.565 . . 1 . . . . . 110 GLY C . 51983 1 524 . 1 . 1 110 110 GLY CA C 13 45.294 . . 1 . . . . . 110 GLY CA . 51983 1 525 . 1 . 1 110 110 GLY N N 15 106.547 . . 1 . . . . . 110 GLY N . 51983 1 526 . 1 . 1 111 111 LYS H H 1 7.120 . . 1 . . . . . 111 LYS H . 51983 1 527 . 1 . 1 111 111 LYS C C 13 178.964 . . 1 . . . . . 111 LYS C . 51983 1 528 . 1 . 1 111 111 LYS CA C 13 59.234 . . 1 . . . . . 111 LYS CA . 51983 1 529 . 1 . 1 111 111 LYS CB C 13 32.054 . . 1 . . . . . 111 LYS CB . 51983 1 530 . 1 . 1 111 111 LYS N N 15 120.449 . . 1 . . . . . 111 LYS N . 51983 1 531 . 1 . 1 112 112 LEU H H 1 7.148 . . 1 . . . . . 112 LEU H . 51983 1 532 . 1 . 1 112 112 LEU C C 13 179.551 . . 1 . . . . . 112 LEU C . 51983 1 533 . 1 . 1 112 112 LEU CA C 13 57.820 . . 1 . . . . . 112 LEU CA . 51983 1 534 . 1 . 1 112 112 LEU CB C 13 41.275 . . 1 . . . . . 112 LEU CB . 51983 1 535 . 1 . 1 112 112 LEU N N 15 118.904 . . 1 . . . . . 112 LEU N . 51983 1 536 . 1 . 1 113 113 VAL H H 1 8.021 . . 1 . . . . . 113 VAL H . 51983 1 537 . 1 . 1 113 113 VAL C C 13 180.139 . . 1 . . . . . 113 VAL C . 51983 1 538 . 1 . 1 113 113 VAL CA C 13 66.746 . . 1 . . . . . 113 VAL CA . 51983 1 539 . 1 . 1 113 113 VAL CB C 13 31.608 . . 1 . . . . . 113 VAL CB . 51983 1 540 . 1 . 1 113 113 VAL N N 15 119.082 . . 1 . . . . . 113 VAL N . 51983 1 541 . 1 . 1 114 114 GLU H H 1 8.726 . . 1 . . . . . 114 GLU H . 51983 1 542 . 1 . 1 114 114 GLU C C 13 177.945 . . 1 . . . . . 114 GLU C . 51983 1 543 . 1 . 1 114 114 GLU CA C 13 59.489 . . 1 . . . . . 114 GLU CA . 51983 1 544 . 1 . 1 114 114 GLU CB C 13 29.508 . . 1 . . . . . 114 GLU CB . 51983 1 545 . 1 . 1 114 114 GLU N N 15 121.237 . . 1 . . . . . 114 GLU N . 51983 1 546 . 1 . 1 115 115 ASN H H 1 7.608 . . 1 . . . . . 115 ASN H . 51983 1 547 . 1 . 1 115 115 ASN C C 13 173.163 . . 1 . . . . . 115 ASN C . 51983 1 548 . 1 . 1 115 115 ASN CA C 13 52.869 . . 1 . . . . . 115 ASN CA . 51983 1 549 . 1 . 1 115 115 ASN CB C 13 39.056 . . 1 . . . . . 115 ASN CB . 51983 1 550 . 1 . 1 115 115 ASN N N 15 114.845 . . 1 . . . . . 115 ASN N . 51983 1 551 . 1 . 1 116 116 ALA H H 1 8.110 . . 1 . . . . . 116 ALA H . 51983 1 552 . 1 . 1 116 116 ALA C C 13 177.490 . . 1 . . . . . 116 ALA C . 51983 1 553 . 1 . 1 116 116 ALA CA C 13 52.742 . . 1 . . . . . 116 ALA CA . 51983 1 554 . 1 . 1 116 116 ALA CB C 13 16.586 . . 1 . . . . . 116 ALA CB . 51983 1 555 . 1 . 1 116 116 ALA N N 15 122.662 . . 1 . . . . . 116 ALA N . 51983 1 556 . 1 . 1 117 117 GLU H H 1 8.533 . . 1 . . . . . 117 GLU H . 51983 1 557 . 1 . 1 117 117 GLU C C 13 177.490 . . 1 . . . . . 117 GLU C . 51983 1 558 . 1 . 1 117 117 GLU CA C 13 55.733 . . 1 . . . . . 117 GLU CA . 51983 1 559 . 1 . 1 117 117 GLU CB C 13 27.153 . . 1 . . . . . 117 GLU CB . 51983 1 560 . 1 . 1 117 117 GLU N N 15 121.647 . . 1 . . . . . 117 GLU N . 51983 1 561 . 1 . 1 118 118 VAL H H 1 7.877 . . 1 . . . . . 118 VAL H . 51983 1 562 . 1 . 1 118 118 VAL C C 13 177.214 . . 1 . . . . . 118 VAL C . 51983 1 563 . 1 . 1 118 118 VAL CA C 13 66.364 . . 1 . . . . . 118 VAL CA . 51983 1 564 . 1 . 1 118 118 VAL CB C 13 31.863 . . 1 . . . . . 118 VAL CB . 51983 1 565 . 1 . 1 118 118 VAL N N 15 119.427 . . 1 . . . . . 118 VAL N . 51983 1 566 . 1 . 1 119 119 SER H H 1 8.516 . . 1 . . . . . 119 SER H . 51983 1 567 . 1 . 1 119 119 SER C C 13 176.842 . . 1 . . . . . 119 SER C . 51983 1 568 . 1 . 1 119 119 SER CA C 13 61.844 . . 1 . . . . . 119 SER CA . 51983 1 569 . 1 . 1 119 119 SER N N 15 113.797 . . 1 . . . . . 119 SER N . 51983 1 570 . 1 . 1 120 120 LYS H H 1 7.229 . . 1 . . . . . 120 LYS H . 51983 1 571 . 1 . 1 120 120 LYS C C 13 178.916 . . 1 . . . . . 120 LYS C . 51983 1 572 . 1 . 1 120 120 LYS CA C 13 58.534 . . 1 . . . . . 120 LYS CA . 51983 1 573 . 1 . 1 120 120 LYS CB C 13 32.627 . . 1 . . . . . 120 LYS CB . 51983 1 574 . 1 . 1 120 120 LYS N N 15 120.034 . . 1 . . . . . 120 LYS N . 51983 1 575 . 1 . 1 121 121 LEU H H 1 7.308 . . 1 . . . . . 121 LEU H . 51983 1 576 . 1 . 1 121 121 LEU C C 13 177.382 . . 1 . . . . . 121 LEU C . 51983 1 577 . 1 . 1 121 121 LEU CA C 13 58.089 . . 1 . . . . . 121 LEU CA . 51983 1 578 . 1 . 1 121 121 LEU CB C 13 42.366 . . 1 . . . . . 121 LEU CB . 51983 1 579 . 1 . 1 121 121 LEU N N 15 118.201 . . 1 . . . . . 121 LEU N . 51983 1 580 . 1 . 1 122 122 LEU H H 1 7.641 . . 1 . . . . . 122 LEU H . 51983 1 581 . 1 . 1 122 122 LEU C C 13 178.029 . . 1 . . . . . 122 LEU C . 51983 1 582 . 1 . 1 122 122 LEU CA C 13 55.797 . . 1 . . . . . 122 LEU CA . 51983 1 583 . 1 . 1 122 122 LEU CB C 13 42.493 . . 1 . . . . . 122 LEU CB . 51983 1 584 . 1 . 1 122 122 LEU N N 15 112.972 . . 1 . . . . . 122 LEU N . 51983 1 585 . 1 . 1 123 123 GLU H H 1 7.303 . . 1 . . . . . 123 GLU H . 51983 1 586 . 1 . 1 123 123 GLU C C 13 176.818 . . 1 . . . . . 123 GLU C . 51983 1 587 . 1 . 1 123 123 GLU CA C 13 57.325 . . 1 . . . . . 123 GLU CA . 51983 1 588 . 1 . 1 123 123 GLU CB C 13 29.289 . . 1 . . . . . 123 GLU CB . 51983 1 589 . 1 . 1 123 123 GLU N N 15 117.567 . . 1 . . . . . 123 GLU N . 51983 1 590 . 1 . 1 124 124 VAL H H 1 6.942 . . 1 . . . . . 124 VAL H . 51983 1 591 . 1 . 1 124 124 VAL C C 13 174.245 . . 1 . . . . . 124 VAL C . 51983 1 592 . 1 . 1 124 124 VAL CA C 13 60.826 . . 1 . . . . . 124 VAL CA . 51983 1 593 . 1 . 1 124 124 VAL CB C 13 31.290 . . 1 . . . . . 124 VAL CB . 51983 1 594 . 1 . 1 124 124 VAL N N 15 120.806 . . 1 . . . . . 124 VAL N . 51983 1 595 . 1 . 1 125 125 PRO C C 13 174.805 . . 1 . . . . . 125 PRO C . 51983 1 596 . 1 . 1 125 125 PRO CA C 13 59.362 . . 1 . . . . . 125 PRO CA . 51983 1 597 . 1 . 1 125 125 PRO CB C 13 35.237 . . 1 . . . . . 125 PRO CB . 51983 1 598 . 1 . 1 126 126 GLY H H 1 8.654 . . 1 . . . . . 126 GLY H . 51983 1 599 . 1 . 1 126 126 GLY C C 13 174.385 . . 1 . . . . . 126 GLY C . 51983 1 600 . 1 . 1 126 126 GLY CA C 13 45.485 . . 1 . . . . . 126 GLY CA . 51983 1 601 . 1 . 1 126 126 GLY N N 15 110.452 . . 1 . . . . . 126 GLY N . 51983 1 602 . 1 . 1 127 127 ILE H H 1 7.593 . . 1 . . . . . 127 ILE H . 51983 1 603 . 1 . 1 127 127 ILE C C 13 174.805 . . 1 . . . . . 127 ILE C . 51983 1 604 . 1 . 1 127 127 ILE CA C 13 59.362 . . 1 . . . . . 127 ILE CA . 51983 1 605 . 1 . 1 127 127 ILE CB C 13 35.237 . . 1 . . . . . 127 ILE CB . 51983 1 606 . 1 . 1 127 127 ILE N N 15 121.325 . . 1 . . . . . 127 ILE N . 51983 1 607 . 1 . 1 128 128 GLY H H 1 8.006 . . 1 . . . . . 128 GLY H . 51983 1 608 . 1 . 1 128 128 GLY C C 13 173.870 . . 1 . . . . . 128 GLY C . 51983 1 609 . 1 . 1 128 128 GLY CA C 13 44.212 . . 1 . . . . . 128 GLY CA . 51983 1 610 . 1 . 1 128 128 GLY N N 15 111.005 . . 1 . . . . . 128 GLY N . 51983 1 611 . 1 . 1 129 129 ASP H H 1 8.386 . . 1 . . . . . 129 ASP H . 51983 1 612 . 1 . 1 129 129 ASP C C 13 178.437 . . 1 . . . . . 129 ASP C . 51983 1 613 . 1 . 1 129 129 ASP CA C 13 57.707 . . 1 . . . . . 129 ASP CA . 51983 1 614 . 1 . 1 129 129 ASP CB C 13 40.902 . . 1 . . . . . 129 ASP CB . 51983 1 615 . 1 . 1 129 129 ASP N N 15 119.147 . . 1 . . . . . 129 ASP N . 51983 1 616 . 1 . 1 130 130 GLU H H 1 8.689 . . 1 . . . . . 130 GLU H . 51983 1 617 . 1 . 1 130 130 GLU C C 13 178.473 . . 1 . . . . . 130 GLU C . 51983 1 618 . 1 . 1 130 130 GLU CA C 13 59.489 . . 1 . . . . . 130 GLU CA . 51983 1 619 . 1 . 1 130 130 GLU CB C 13 28.808 . . 1 . . . . . 130 GLU CB . 51983 1 620 . 1 . 1 130 130 GLU N N 15 119.514 . . 1 . . . . . 130 GLU N . 51983 1 621 . 1 . 1 131 131 ALA H H 1 7.796 . . 1 . . . . . 131 ALA H . 51983 1 622 . 1 . 1 131 131 ALA C C 13 179.471 . . 1 . . . . . 131 ALA C . 51983 1 623 . 1 . 1 131 131 ALA CA C 13 54.588 . . 1 . . . . . 131 ALA CA . 51983 1 624 . 1 . 1 131 131 ALA CB C 13 18.623 . . 1 . . . . . 131 ALA CB . 51983 1 625 . 1 . 1 131 131 ALA N N 15 120.677 . . 1 . . . . . 131 ALA N . 51983 1 626 . 1 . 1 132 132 VAL H H 1 7.761 . . 1 . . . . . 132 VAL H . 51983 1 627 . 1 . 1 132 132 VAL C C 13 177.274 . . 1 . . . . . 132 VAL C . 51983 1 628 . 1 . 1 132 132 VAL CA C 13 67.573 . . 1 . . . . . 132 VAL CA . 51983 1 629 . 1 . 1 132 132 VAL CB C 13 31.099 . . 1 . . . . . 132 VAL CB . 51983 1 630 . 1 . 1 132 132 VAL N N 15 116.574 . . 1 . . . . . 132 VAL N . 51983 1 631 . 1 . 1 133 133 ALA H H 1 8.012 . . 1 . . . . . 133 ALA H . 51983 1 632 . 1 . 1 133 133 ALA C C 13 179.348 . . 1 . . . . . 133 ALA C . 51983 1 633 . 1 . 1 133 133 ALA CA C 13 54.397 . . 1 . . . . . 133 ALA CA . 51983 1 634 . 1 . 1 133 133 ALA CB C 13 18.114 . . 1 . . . . . 133 ALA CB . 51983 1 635 . 1 . 1 133 133 ALA N N 15 120.882 . . 1 . . . . . 133 ALA N . 51983 1 636 . 1 . 1 134 134 ARG H H 1 7.177 . . 1 . . . . . 134 ARG H . 51983 1 637 . 1 . 1 134 134 ARG C C 13 177.430 . . 1 . . . . . 134 ARG C . 51983 1 638 . 1 . 1 134 134 ARG CA C 13 57.261 . . 1 . . . . . 134 ARG CA . 51983 1 639 . 1 . 1 134 134 ARG CB C 13 30.526 . . 1 . . . . . 134 ARG CB . 51983 1 640 . 1 . 1 134 134 ARG N N 15 114.149 . . 1 . . . . . 134 ARG N . 51983 1 641 . 1 . 1 135 135 LEU H H 1 7.458 . . 1 . . . . . 135 LEU H . 51983 1 642 . 1 . 1 135 135 LEU C C 13 175.824 . . 1 . . . . . 135 LEU C . 51983 1 643 . 1 . 1 135 135 LEU CA C 13 56.306 . . 1 . . . . . 135 LEU CA . 51983 1 644 . 1 . 1 135 135 LEU CB C 13 43.193 . . 1 . . . . . 135 LEU CB . 51983 1 645 . 1 . 1 135 135 LEU N N 15 117.576 . . 1 . . . . . 135 LEU N . 51983 1 646 . 1 . 1 136 136 VAL H H 1 8.152 . . 1 . . . . . 136 VAL H . 51983 1 647 . 1 . 1 136 136 VAL C C 13 172.371 . . 1 . . . . . 136 VAL C . 51983 1 648 . 1 . 1 136 136 VAL CA C 13 59.107 . . 1 . . . . . 136 VAL CA . 51983 1 649 . 1 . 1 136 136 VAL CB C 13 32.309 . . 1 . . . . . 136 VAL CB . 51983 1 650 . 1 . 1 136 136 VAL N N 15 117.388 . . 1 . . . . . 136 VAL N . 51983 1 651 . 1 . 1 137 137 PRO C C 13 178.089 . . 1 . . . . . 137 PRO C . 51983 1 652 . 1 . 1 137 137 PRO CA C 13 63.754 . . 1 . . . . . 137 PRO CA . 51983 1 653 . 1 . 1 137 137 PRO CB C 13 32.054 . . 1 . . . . . 137 PRO CB . 51983 1 654 . 1 . 1 138 138 GLY H H 1 8.490 . . 1 . . . . . 138 GLY H . 51983 1 655 . 1 . 1 138 138 GLY C C 13 173.450 . . 1 . . . . . 138 GLY C . 51983 1 656 . 1 . 1 138 138 GLY CA C 13 45.230 . . 1 . . . . . 138 GLY CA . 51983 1 657 . 1 . 1 138 138 GLY N N 15 109.474 . . 1 . . . . . 138 GLY N . 51983 1 658 . 1 . 1 139 139 TYR H H 1 7.681 . . 1 . . . . . 139 TYR H . 51983 1 659 . 1 . 1 139 139 TYR C C 13 180.347 . . 1 . . . . . 139 TYR C . 51983 1 660 . 1 . 1 139 139 TYR CA C 13 60.125 . . 1 . . . . . 139 TYR CA . 51983 1 661 . 1 . 1 139 139 TYR CB C 13 39.438 . . 1 . . . . . 139 TYR CB . 51983 1 662 . 1 . 1 139 139 TYR N N 15 125.879 . . 1 . . . . . 139 TYR N . 51983 1 stop_ save_