data_52503 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52503 _Entry.Title ; 1H, 13C, and 15N backbone chemical shift assignments of TauK18 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-14 _Entry.Accession_date 2024-06-14 _Entry.Last_release_date 2024-06-19 _Entry.Original_release_date 2024-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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 Kevin Muwonge . . . . 52503 2 Alexander Volkov . . . . 52503 3 Peter Tompa . . . . 52503 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52503 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 52503 '15N chemical shifts' 126 52503 '1H chemical shifts' 126 52503 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-06-28 . original BMRB . 52503 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52503 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Improved expression of aggregation-prone Tau proteins using a spidroin-derived solubility tag ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Separations _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 198 _Citation.Page_last 198 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kevin Muwonge . . . . 52503 1 2 Bedri Yaman . B. . . 52503 1 3 Attila Meszaros . . . . 52503 1 4 Giorgio Russo . . . . 52503 1 5 Alexander Volkov . . . . 52503 1 6 Peter Tompa . . . . 52503 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52503 _Assembly.ID 1 _Assembly.Name tauK18 _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 tauK18 1 $entity_1 . . yes native no no . . . 52503 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52503 _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 ; MKVAVVRTPPKSPSSAKSRL QTAPVPMPDLKNVKSKIGST ENLKHQPGGGKVQIINKKLD LSNVQSKCGSKDNIKHVPGG GSVQIVYKPVDLSKVTSKCG SLGNIHHKPGGGQVEVKSEK LDFKDRVQSKIGSLDNITHV PGGGNKKIE ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . MET . 52503 1 2 . LYS . 52503 1 3 . VAL . 52503 1 4 . ALA . 52503 1 5 . VAL . 52503 1 6 . VAL . 52503 1 7 . ARG . 52503 1 8 . THR . 52503 1 9 . PRO . 52503 1 10 . PRO . 52503 1 11 . LYS . 52503 1 12 . SER . 52503 1 13 . PRO . 52503 1 14 . SER . 52503 1 15 . SER . 52503 1 16 . ALA . 52503 1 17 . LYS . 52503 1 18 . SER . 52503 1 19 . ARG . 52503 1 20 . LEU . 52503 1 21 . GLN . 52503 1 22 . THR . 52503 1 23 . ALA . 52503 1 24 . PRO . 52503 1 25 . VAL . 52503 1 26 . PRO . 52503 1 27 . MET . 52503 1 28 . PRO . 52503 1 29 . ASP . 52503 1 30 . LEU . 52503 1 31 . LYS . 52503 1 32 . ASN . 52503 1 33 . VAL . 52503 1 34 . LYS . 52503 1 35 . SER . 52503 1 36 . LYS . 52503 1 37 . ILE . 52503 1 38 . GLY . 52503 1 39 . SER . 52503 1 40 . THR . 52503 1 41 . GLU . 52503 1 42 . ASN . 52503 1 43 . LEU . 52503 1 44 . LYS . 52503 1 45 . HIS . 52503 1 46 . GLN . 52503 1 47 . PRO . 52503 1 48 . GLY . 52503 1 49 . GLY . 52503 1 50 . GLY . 52503 1 51 . LYS . 52503 1 52 . VAL . 52503 1 53 . GLN . 52503 1 54 . ILE . 52503 1 55 . ILE . 52503 1 56 . ASN . 52503 1 57 . LYS . 52503 1 58 . LYS . 52503 1 59 . LEU . 52503 1 60 . ASP . 52503 1 61 . LEU . 52503 1 62 . SER . 52503 1 63 . ASN . 52503 1 64 . VAL . 52503 1 65 . GLN . 52503 1 66 . SER . 52503 1 67 . LYS . 52503 1 68 . CYS . 52503 1 69 . GLY . 52503 1 70 . SER . 52503 1 71 . LYS . 52503 1 72 . ASP . 52503 1 73 . ASN . 52503 1 74 . ILE . 52503 1 75 . LYS . 52503 1 76 . HIS . 52503 1 77 . VAL . 52503 1 78 . PRO . 52503 1 79 . GLY . 52503 1 80 . GLY . 52503 1 81 . GLY . 52503 1 82 . SER . 52503 1 83 . VAL . 52503 1 84 . GLN . 52503 1 85 . ILE . 52503 1 86 . VAL . 52503 1 87 . TYR . 52503 1 88 . LYS . 52503 1 89 . PRO . 52503 1 90 . VAL . 52503 1 91 . ASP . 52503 1 92 . LEU . 52503 1 93 . SER . 52503 1 94 . LYS . 52503 1 95 . VAL . 52503 1 96 . THR . 52503 1 97 . SER . 52503 1 98 . LYS . 52503 1 99 . CYS . 52503 1 100 . GLY . 52503 1 101 . SER . 52503 1 102 . LEU . 52503 1 103 . GLY . 52503 1 104 . ASN . 52503 1 105 . ILE . 52503 1 106 . HIS . 52503 1 107 . HIS . 52503 1 108 . LYS . 52503 1 109 . PRO . 52503 1 110 . GLY . 52503 1 111 . GLY . 52503 1 112 . GLY . 52503 1 113 . GLN . 52503 1 114 . VAL . 52503 1 115 . GLU . 52503 1 116 . VAL . 52503 1 117 . LYS . 52503 1 118 . SER . 52503 1 119 . GLU . 52503 1 120 . LYS . 52503 1 121 . LEU . 52503 1 122 . ASP . 52503 1 123 . PHE . 52503 1 124 . LYS . 52503 1 125 . ASP . 52503 1 126 . ARG . 52503 1 127 . VAL . 52503 1 128 . GLN . 52503 1 129 . SER . 52503 1 130 . LYS . 52503 1 131 . ILE . 52503 1 132 . GLY . 52503 1 133 . SER . 52503 1 134 . LEU . 52503 1 135 . ASP . 52503 1 136 . ASN . 52503 1 137 . ILE . 52503 1 138 . THR . 52503 1 139 . HIS . 52503 1 140 . VAL . 52503 1 141 . PRO . 52503 1 142 . GLY . 52503 1 143 . GLY . 52503 1 144 . GLY . 52503 1 145 . ASN . 52503 1 146 . LYS . 52503 1 147 . LYS . 52503 1 148 . ILE . 52503 1 149 . GLU . 52503 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52503 1 . LYS 2 2 52503 1 . VAL 3 3 52503 1 . ALA 4 4 52503 1 . VAL 5 5 52503 1 . VAL 6 6 52503 1 . ARG 7 7 52503 1 . THR 8 8 52503 1 . PRO 9 9 52503 1 . PRO 10 10 52503 1 . LYS 11 11 52503 1 . SER 12 12 52503 1 . PRO 13 13 52503 1 . SER 14 14 52503 1 . SER 15 15 52503 1 . ALA 16 16 52503 1 . LYS 17 17 52503 1 . SER 18 18 52503 1 . ARG 19 19 52503 1 . LEU 20 20 52503 1 . GLN 21 21 52503 1 . THR 22 22 52503 1 . ALA 23 23 52503 1 . PRO 24 24 52503 1 . VAL 25 25 52503 1 . PRO 26 26 52503 1 . MET 27 27 52503 1 . PRO 28 28 52503 1 . ASP 29 29 52503 1 . LEU 30 30 52503 1 . LYS 31 31 52503 1 . ASN 32 32 52503 1 . VAL 33 33 52503 1 . LYS 34 34 52503 1 . SER 35 35 52503 1 . LYS 36 36 52503 1 . ILE 37 37 52503 1 . GLY 38 38 52503 1 . SER 39 39 52503 1 . THR 40 40 52503 1 . GLU 41 41 52503 1 . ASN 42 42 52503 1 . LEU 43 43 52503 1 . LYS 44 44 52503 1 . HIS 45 45 52503 1 . GLN 46 46 52503 1 . PRO 47 47 52503 1 . GLY 48 48 52503 1 . GLY 49 49 52503 1 . GLY 50 50 52503 1 . LYS 51 51 52503 1 . VAL 52 52 52503 1 . GLN 53 53 52503 1 . ILE 54 54 52503 1 . ILE 55 55 52503 1 . ASN 56 56 52503 1 . LYS 57 57 52503 1 . LYS 58 58 52503 1 . LEU 59 59 52503 1 . ASP 60 60 52503 1 . LEU 61 61 52503 1 . SER 62 62 52503 1 . ASN 63 63 52503 1 . VAL 64 64 52503 1 . GLN 65 65 52503 1 . SER 66 66 52503 1 . LYS 67 67 52503 1 . CYS 68 68 52503 1 . GLY 69 69 52503 1 . SER 70 70 52503 1 . LYS 71 71 52503 1 . ASP 72 72 52503 1 . ASN 73 73 52503 1 . ILE 74 74 52503 1 . LYS 75 75 52503 1 . HIS 76 76 52503 1 . VAL 77 77 52503 1 . PRO 78 78 52503 1 . GLY 79 79 52503 1 . GLY 80 80 52503 1 . GLY 81 81 52503 1 . SER 82 82 52503 1 . VAL 83 83 52503 1 . GLN 84 84 52503 1 . ILE 85 85 52503 1 . VAL 86 86 52503 1 . TYR 87 87 52503 1 . LYS 88 88 52503 1 . PRO 89 89 52503 1 . VAL 90 90 52503 1 . ASP 91 91 52503 1 . LEU 92 92 52503 1 . SER 93 93 52503 1 . LYS 94 94 52503 1 . VAL 95 95 52503 1 . THR 96 96 52503 1 . SER 97 97 52503 1 . LYS 98 98 52503 1 . CYS 99 99 52503 1 . GLY 100 100 52503 1 . SER 101 101 52503 1 . LEU 102 102 52503 1 . GLY 103 103 52503 1 . ASN 104 104 52503 1 . ILE 105 105 52503 1 . HIS 106 106 52503 1 . HIS 107 107 52503 1 . LYS 108 108 52503 1 . PRO 109 109 52503 1 . GLY 110 110 52503 1 . GLY 111 111 52503 1 . GLY 112 112 52503 1 . GLN 113 113 52503 1 . VAL 114 114 52503 1 . GLU 115 115 52503 1 . VAL 116 116 52503 1 . LYS 117 117 52503 1 . SER 118 118 52503 1 . GLU 119 119 52503 1 . LYS 120 120 52503 1 . LEU 121 121 52503 1 . ASP 122 122 52503 1 . PHE 123 123 52503 1 . LYS 124 124 52503 1 . ASP 125 125 52503 1 . ARG 126 126 52503 1 . VAL 127 127 52503 1 . GLN 128 128 52503 1 . SER 129 129 52503 1 . LYS 130 130 52503 1 . ILE 131 131 52503 1 . GLY 132 132 52503 1 . SER 133 133 52503 1 . LEU 134 134 52503 1 . ASP 135 135 52503 1 . ASN 136 136 52503 1 . ILE 137 137 52503 1 . THR 138 138 52503 1 . HIS 139 139 52503 1 . VAL 140 140 52503 1 . PRO 141 141 52503 1 . GLY 142 142 52503 1 . GLY 143 143 52503 1 . GLY 144 144 52503 1 . ASN 145 145 52503 1 . LYS 146 146 52503 1 . LYS 147 147 52503 1 . ILE 148 148 52503 1 . GLU 149 149 52503 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 52503 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli 'BL21 (DE3)' Star . . . . . . . . . . . 52503 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 52503 _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)' Star . plasmid . . MaSp-Tau-MTBR . . 'pT7NT_(MaSp)(TevRS)_TauK18 with KanR gene' 52503 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52503 _Sample.ID 1 _Sample.Name sample1 _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 TauK18 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 52503 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 52503 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52503 1 4 D2O '[U-100% 2H]' . . . . . . 6 . . % . . . . 52503 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 52503 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 118 . mM 52503 1 pH 6.5 . pH 52503 1 pressure 1 . atm 52503 1 temperature 298 . K 52503 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52503 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52503 1 processing . 52503 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52503 _Software.ID 2 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52503 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52503 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52503 3 'data analysis' . 52503 3 'peak picking' . 52503 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52503 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52503 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 52503 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 52503 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52503 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52503 1 3 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52503 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52503 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52503 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 52503 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference1 _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 0.00 na indirect 0.251449530 . . . . . 52503 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52503 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52503 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 52503 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shifts1 _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' . . . 52503 1 2 '3D HNCACB' . . . 52503 1 3 '3D HN(CO)CACB' . . . 52503 1 4 '3D HNCO' . . . 52503 1 5 '3D HN(CA)CO' . . . 52503 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 . . 52503 1 2 $software_2 . . 52503 1 3 $software_3 . . 52503 1 4 $software_4 . . 52503 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 LYS H H 1 8.62266 0.04 . 1 . . . . . 2 LYS H . 52503 1 2 . 1 . 1 2 2 LYS C C 13 176.18683 0.4 . 1 . . . . . 2 LYS C . 52503 1 3 . 1 . 1 2 2 LYS CA C 13 56.43815 0.4 . 1 . . . . . 2 LYS CA . 52503 1 4 . 1 . 1 2 2 LYS CB C 13 33.17884 0.4 . 1 . . . . . 2 LYS CB . 52503 1 5 . 1 . 1 2 2 LYS N N 15 122.30786 0.2 . 1 . . . . . 2 LYS N . 52503 1 6 . 1 . 1 3 3 VAL H H 1 8.1457 0.04 . 1 . . . . . 3 VAL H . 52503 1 7 . 1 . 1 3 3 VAL C C 13 175.54157 0.4 . 1 . . . . . 3 VAL C . 52503 1 8 . 1 . 1 3 3 VAL CA C 13 62.12605 0.4 . 1 . . . . . 3 VAL CA . 52503 1 9 . 1 . 1 3 3 VAL CB C 13 32.81789 0.4 . 1 . . . . . 3 VAL CB . 52503 1 10 . 1 . 1 3 3 VAL N N 15 122.32829 0.2 . 1 . . . . . 3 VAL N . 52503 1 11 . 1 . 1 4 4 ALA H H 1 8.33366 0.04 . 1 . . . . . 4 ALA H . 52503 1 12 . 1 . 1 4 4 ALA C C 13 177.27493 0.4 . 1 . . . . . 4 ALA C . 52503 1 13 . 1 . 1 4 4 ALA CA C 13 52.20078 0.4 . 1 . . . . . 4 ALA CA . 52503 1 14 . 1 . 1 4 4 ALA CB C 13 19.27221 0.4 . 1 . . . . . 4 ALA CB . 52503 1 15 . 1 . 1 4 4 ALA N N 15 128.85111 0.2 . 1 . . . . . 4 ALA N . 52503 1 16 . 1 . 1 5 5 VAL H H 1 8.0845 0.04 . 1 . . . . . 5 VAL H . 52503 1 17 . 1 . 1 5 5 VAL C C 13 175.95657 0.4 . 1 . . . . . 5 VAL C . 52503 1 18 . 1 . 1 5 5 VAL CA C 13 62.2108 0.4 . 1 . . . . . 5 VAL CA . 52503 1 19 . 1 . 1 5 5 VAL CB C 13 32.80403 0.4 . 1 . . . . . 5 VAL CB . 52503 1 20 . 1 . 1 5 5 VAL N N 15 120.90503 0.2 . 1 . . . . . 5 VAL N . 52503 1 21 . 1 . 1 6 6 VAL H H 1 8.23412 0.04 . 1 . . . . . 6 VAL H . 52503 1 22 . 1 . 1 6 6 VAL C C 13 175.83955 0.4 . 1 . . . . . 6 VAL C . 52503 1 23 . 1 . 1 6 6 VAL CA C 13 62.16966 0.4 . 1 . . . . . 6 VAL CA . 52503 1 24 . 1 . 1 6 6 VAL CB C 13 32.72399 0.4 . 1 . . . . . 6 VAL CB . 52503 1 25 . 1 . 1 6 6 VAL N N 15 125.60423 0.2 . 1 . . . . . 6 VAL N . 52503 1 26 . 1 . 1 7 7 ARG H H 1 8.44551 0.04 . 1 . . . . . 7 ARG H . 52503 1 27 . 1 . 1 7 7 ARG C C 13 175.94909 0.4 . 1 . . . . . 7 ARG C . 52503 1 28 . 1 . 1 7 7 ARG CA C 13 55.71219 0.4 . 1 . . . . . 7 ARG CA . 52503 1 29 . 1 . 1 7 7 ARG CB C 13 30.89043 0.4 . 1 . . . . . 7 ARG CB . 52503 1 30 . 1 . 1 7 7 ARG N N 15 126.15716 0.2 . 1 . . . . . 7 ARG N . 52503 1 31 . 1 . 1 8 8 THR H H 1 8.18941 0.04 . 1 . . . . . 8 THR H . 52503 1 32 . 1 . 1 8 8 THR C C 13 178.75587 0.4 . 1 . . . . . 8 THR C . 52503 1 33 . 1 . 1 8 8 THR CA C 13 59.77639 0.4 . 1 . . . . . 8 THR CA . 52503 1 34 . 1 . 1 8 8 THR CB C 13 69.6742 0.4 . 1 . . . . . 8 THR CB . 52503 1 35 . 1 . 1 8 8 THR N N 15 118.88053 0.2 . 1 . . . . . 8 THR N . 52503 1 36 . 1 . 1 10 10 PRO C C 13 176.73914 0.4 . 1 . . . . . 10 PRO C . 52503 1 37 . 1 . 1 10 10 PRO CA C 13 62.77616 0.4 . 1 . . . . . 10 PRO CA . 52503 1 38 . 1 . 1 10 10 PRO CB C 13 32.03182 0.4 . 1 . . . . . 10 PRO CB . 52503 1 39 . 1 . 1 11 11 LYS H H 1 8.32601 0.04 . 1 . . . . . 11 LYS H . 52503 1 40 . 1 . 1 11 11 LYS C C 13 176.5195 0.4 . 1 . . . . . 11 LYS C . 52503 1 41 . 1 . 1 11 11 LYS CA C 13 56.15164 0.4 . 1 . . . . . 11 LYS CA . 52503 1 42 . 1 . 1 11 11 LYS CB C 13 33.06914 0.4 . 1 . . . . . 11 LYS CB . 52503 1 43 . 1 . 1 11 11 LYS N N 15 121.63336 0.2 . 1 . . . . . 11 LYS N . 52503 1 44 . 1 . 1 12 12 SER H H 1 8.33131 0.04 . 1 . . . . . 12 SER H . 52503 1 45 . 1 . 1 12 12 SER CA C 13 56.30864 0.4 . 1 . . . . . 12 SER CA . 52503 1 46 . 1 . 1 12 12 SER CB C 13 63.28122 0.4 . 1 . . . . . 12 SER CB . 52503 1 47 . 1 . 1 12 12 SER N N 15 118.61383 0.2 . 1 . . . . . 12 SER N . 52503 1 48 . 1 . 1 13 13 PRO C C 13 177.15163 0.4 . 1 . . . . . 13 PRO C . 52503 1 49 . 1 . 1 13 13 PRO CA C 13 63.40854 0.4 . 1 . . . . . 13 PRO CA . 52503 1 50 . 1 . 1 13 13 PRO CB C 13 32.05195 0.4 . 1 . . . . . 13 PRO CB . 52503 1 51 . 1 . 1 14 14 SER H H 1 8.3297 0.04 . 1 . . . . . 14 SER H . 52503 1 52 . 1 . 1 14 14 SER C C 13 174.80733 0.4 . 1 . . . . . 14 SER C . 52503 1 53 . 1 . 1 14 14 SER CA C 13 58.53751 0.4 . 1 . . . . . 14 SER CA . 52503 1 54 . 1 . 1 14 14 SER CB C 13 63.71022 0.4 . 1 . . . . . 14 SER CB . 52503 1 55 . 1 . 1 14 14 SER N N 15 115.79735 0.2 . 1 . . . . . 14 SER N . 52503 1 56 . 1 . 1 15 15 SER H H 1 8.23867 0.04 . 1 . . . . . 15 SER H . 52503 1 57 . 1 . 1 15 15 SER C C 13 174.43792 0.4 . 1 . . . . . 15 SER C . 52503 1 58 . 1 . 1 15 15 SER CA C 13 58.39662 0.4 . 1 . . . . . 15 SER CA . 52503 1 59 . 1 . 1 15 15 SER CB C 13 63.83593 0.4 . 1 . . . . . 15 SER CB . 52503 1 60 . 1 . 1 15 15 SER N N 15 117.89662 0.2 . 1 . . . . . 15 SER N . 52503 1 61 . 1 . 1 16 16 ALA H H 1 8.2046 0.04 . 1 . . . . . 16 ALA H . 52503 1 62 . 1 . 1 16 16 ALA C C 13 177.95992 0.4 . 1 . . . . . 16 ALA C . 52503 1 63 . 1 . 1 16 16 ALA CA C 13 52.92196 0.4 . 1 . . . . . 16 ALA CA . 52503 1 64 . 1 . 1 16 16 ALA CB C 13 19.02225 0.4 . 1 . . . . . 16 ALA CB . 52503 1 65 . 1 . 1 16 16 ALA N N 15 125.83352 0.2 . 1 . . . . . 16 ALA N . 52503 1 66 . 1 . 1 17 17 LYS H H 1 8.13841 0.04 . 1 . . . . . 17 LYS H . 52503 1 67 . 1 . 1 17 17 LYS C C 13 176.88182 0.4 . 1 . . . . . 17 LYS C . 52503 1 68 . 1 . 1 17 17 LYS CA C 13 56.54145 0.4 . 1 . . . . . 17 LYS CA . 52503 1 69 . 1 . 1 17 17 LYS CB C 13 32.8332 0.4 . 1 . . . . . 17 LYS CB . 52503 1 70 . 1 . 1 17 17 LYS N N 15 119.95627 0.2 . 1 . . . . . 17 LYS N . 52503 1 71 . 1 . 1 18 18 SER H H 1 8.12631 0.04 . 1 . . . . . 18 SER H . 52503 1 72 . 1 . 1 18 18 SER C C 13 174.60055 0.4 . 1 . . . . . 18 SER C . 52503 1 73 . 1 . 1 18 18 SER CA C 13 58.51075 0.4 . 1 . . . . . 18 SER CA . 52503 1 74 . 1 . 1 18 18 SER CB C 13 63.75707 0.4 . 1 . . . . . 18 SER CB . 52503 1 75 . 1 . 1 18 18 SER N N 15 116.4863 0.2 . 1 . . . . . 18 SER N . 52503 1 76 . 1 . 1 19 19 ARG H H 1 8.24472 0.04 . 1 . . . . . 19 ARG H . 52503 1 77 . 1 . 1 19 19 ARG C C 13 176.18284 0.4 . 1 . . . . . 19 ARG C . 52503 1 78 . 1 . 1 19 19 ARG CA C 13 56.28021 0.4 . 1 . . . . . 19 ARG CA . 52503 1 79 . 1 . 1 19 19 ARG CB C 13 30.59557 0.4 . 1 . . . . . 19 ARG CB . 52503 1 80 . 1 . 1 19 19 ARG N N 15 122.87657 0.2 . 1 . . . . . 19 ARG N . 52503 1 81 . 1 . 1 20 20 LEU H H 1 8.09547 0.04 . 1 . . . . . 20 LEU H . 52503 1 82 . 1 . 1 20 20 LEU C C 13 177.25733 0.4 . 1 . . . . . 20 LEU C . 52503 1 83 . 1 . 1 20 20 LEU CA C 13 55.25501 0.4 . 1 . . . . . 20 LEU CA . 52503 1 84 . 1 . 1 20 20 LEU CB C 13 42.31265 0.4 . 1 . . . . . 20 LEU CB . 52503 1 85 . 1 . 1 20 20 LEU N N 15 122.76287 0.2 . 1 . . . . . 20 LEU N . 52503 1 86 . 1 . 1 21 21 GLN H H 1 8.29989 0.04 . 1 . . . . . 21 GLN H . 52503 1 87 . 1 . 1 21 21 GLN C C 13 175.90731 0.4 . 1 . . . . . 21 GLN C . 52503 1 88 . 1 . 1 21 21 GLN CA C 13 55.76712 0.4 . 1 . . . . . 21 GLN CA . 52503 1 89 . 1 . 1 21 21 GLN CB C 13 29.45112 0.4 . 1 . . . . . 21 GLN CB . 52503 1 90 . 1 . 1 21 21 GLN N N 15 121.45218 0.2 . 1 . . . . . 21 GLN N . 52503 1 91 . 1 . 1 22 22 THR H H 1 8.03832 0.04 . 1 . . . . . 22 THR H . 52503 1 92 . 1 . 1 22 22 THR C C 13 173.80999 0.4 . 1 . . . . . 22 THR C . 52503 1 93 . 1 . 1 22 22 THR CA C 13 61.56855 0.4 . 1 . . . . . 22 THR CA . 52503 1 94 . 1 . 1 22 22 THR CB C 13 69.874 0.4 . 1 . . . . . 22 THR CB . 52503 1 95 . 1 . 1 22 22 THR N N 15 115.57023 0.2 . 1 . . . . . 22 THR N . 52503 1 96 . 1 . 1 23 23 ALA H H 1 8.21213 0.04 . 1 . . . . . 23 ALA H . 52503 1 97 . 1 . 1 23 23 ALA C C 13 175.31707 0.4 . 1 . . . . . 23 ALA C . 52503 1 98 . 1 . 1 23 23 ALA CA C 13 50.50716 0.4 . 1 . . . . . 23 ALA CA . 52503 1 99 . 1 . 1 23 23 ALA CB C 13 18.20376 0.4 . 1 . . . . . 23 ALA CB . 52503 1 100 . 1 . 1 23 23 ALA N N 15 127.83568 0.2 . 1 . . . . . 23 ALA N . 52503 1 101 . 1 . 1 24 24 PRO C C 13 176.602 0.4 . 1 . . . . . 24 PRO C . 52503 1 102 . 1 . 1 24 24 PRO CA C 13 62.791 0.4 . 1 . . . . . 24 PRO CA . 52503 1 103 . 1 . 1 24 24 PRO CB C 13 31.928 0.4 . 1 . . . . . 24 PRO CB . 52503 1 104 . 1 . 1 25 25 VAL H H 1 8.128 0.04 . 1 . . . . . 25 VAL H . 52503 1 105 . 1 . 1 25 25 VAL C C 13 174.501 0.4 . 1 . . . . . 25 VAL C . 52503 1 106 . 1 . 1 25 25 VAL CA C 13 59.811 0.4 . 1 . . . . . 25 VAL CA . 52503 1 107 . 1 . 1 25 25 VAL CB C 13 32.569 0.4 . 1 . . . . . 25 VAL CB . 52503 1 108 . 1 . 1 25 25 VAL N N 15 121.889 0.2 . 1 . . . . . 25 VAL N . 52503 1 109 . 1 . 1 26 26 PRO C C 13 176.52642 0.4 . 1 . . . . . 26 PRO C . 52503 1 110 . 1 . 1 26 26 PRO CA C 13 62.95729 0.4 . 1 . . . . . 26 PRO CA . 52503 1 111 . 1 . 1 26 26 PRO CB C 13 32.10331 0.4 . 1 . . . . . 26 PRO CB . 52503 1 112 . 1 . 1 27 27 MET H H 1 8.32802 0.04 . 1 . . . . . 27 MET H . 52503 1 113 . 1 . 1 27 27 MET C C 13 174.4677 0.4 . 1 . . . . . 27 MET C . 52503 1 114 . 1 . 1 27 27 MET CA C 13 53.32542 0.4 . 1 . . . . . 27 MET CA . 52503 1 115 . 1 . 1 27 27 MET CB C 13 32.28943 0.4 . 1 . . . . . 27 MET CB . 52503 1 116 . 1 . 1 27 27 MET N N 15 121.94735 0.2 . 1 . . . . . 27 MET N . 52503 1 117 . 1 . 1 28 28 PRO C C 13 176.34001 0.4 . 1 . . . . . 28 PRO C . 52503 1 118 . 1 . 1 28 28 PRO CA C 13 63.24118 0.4 . 1 . . . . . 28 PRO CA . 52503 1 119 . 1 . 1 28 28 PRO CB C 13 32.03026 0.4 . 1 . . . . . 28 PRO CB . 52503 1 120 . 1 . 1 29 29 ASP H H 1 8.36696 0.04 . 1 . . . . . 29 ASP H . 52503 1 121 . 1 . 1 29 29 ASP C C 13 176.10651 0.4 . 1 . . . . . 29 ASP C . 52503 1 122 . 1 . 1 29 29 ASP CA C 13 53.60657 0.4 . 1 . . . . . 29 ASP CA . 52503 1 123 . 1 . 1 29 29 ASP CB C 13 40.04321 0.4 . 1 . . . . . 29 ASP CB . 52503 1 124 . 1 . 1 29 29 ASP N N 15 119.8475 0.2 . 1 . . . . . 29 ASP N . 52503 1 125 . 1 . 1 30 30 LEU H H 1 8.15689 0.04 . 1 . . . . . 30 LEU H . 52503 1 126 . 1 . 1 30 30 LEU C C 13 177.59531 0.4 . 1 . . . . . 30 LEU C . 52503 1 127 . 1 . 1 30 30 LEU CA C 13 55.41708 0.4 . 1 . . . . . 30 LEU CA . 52503 1 128 . 1 . 1 30 30 LEU CB C 13 41.94705 0.4 . 1 . . . . . 30 LEU CB . 52503 1 129 . 1 . 1 30 30 LEU N N 15 123.4607 0.2 . 1 . . . . . 30 LEU N . 52503 1 130 . 1 . 1 31 31 LYS H H 1 8.16724 0.04 . 1 . . . . . 31 LYS H . 52503 1 131 . 1 . 1 31 31 LYS C C 13 176.4741 0.4 . 1 . . . . . 31 LYS C . 52503 1 132 . 1 . 1 31 31 LYS CA C 13 56.77818 0.4 . 1 . . . . . 31 LYS CA . 52503 1 133 . 1 . 1 31 31 LYS CB C 13 32.58512 0.4 . 1 . . . . . 31 LYS CB . 52503 1 134 . 1 . 1 31 31 LYS N N 15 120.46691 0.2 . 1 . . . . . 31 LYS N . 52503 1 135 . 1 . 1 32 32 ASN H H 1 8.21118 0.04 . 1 . . . . . 32 ASN H . 52503 1 136 . 1 . 1 32 32 ASN C C 13 175.09854 0.4 . 1 . . . . . 32 ASN C . 52503 1 137 . 1 . 1 32 32 ASN CA C 13 53.25252 0.4 . 1 . . . . . 32 ASN CA . 52503 1 138 . 1 . 1 32 32 ASN CB C 13 38.68697 0.4 . 1 . . . . . 32 ASN CB . 52503 1 139 . 1 . 1 32 32 ASN N N 15 118.71833 0.2 . 1 . . . . . 32 ASN N . 52503 1 140 . 1 . 1 33 33 VAL H H 1 7.89822 0.04 . 1 . . . . . 33 VAL H . 52503 1 141 . 1 . 1 33 33 VAL C C 13 176.26256 0.4 . 1 . . . . . 33 VAL C . 52503 1 142 . 1 . 1 33 33 VAL CA C 13 62.59427 0.4 . 1 . . . . . 33 VAL CA . 52503 1 143 . 1 . 1 33 33 VAL CB C 13 32.54572 0.4 . 1 . . . . . 33 VAL CB . 52503 1 144 . 1 . 1 33 33 VAL N N 15 120.23672 0.2 . 1 . . . . . 33 VAL N . 52503 1 145 . 1 . 1 34 34 LYS H H 1 8.32308 0.04 . 1 . . . . . 34 LYS H . 52503 1 146 . 1 . 1 34 34 LYS C C 13 176.64069 0.4 . 1 . . . . . 34 LYS C . 52503 1 147 . 1 . 1 34 34 LYS CA C 13 56.39012 0.4 . 1 . . . . . 34 LYS CA . 52503 1 148 . 1 . 1 34 34 LYS CB C 13 32.75494 0.4 . 1 . . . . . 34 LYS CB . 52503 1 149 . 1 . 1 34 34 LYS N N 15 124.66617 0.2 . 1 . . . . . 34 LYS N . 52503 1 150 . 1 . 1 35 35 SER H H 1 8.14926 0.04 . 1 . . . . . 35 SER H . 52503 1 151 . 1 . 1 35 35 SER C C 13 174.43361 0.4 . 1 . . . . . 35 SER C . 52503 1 152 . 1 . 1 35 35 SER CA C 13 58.38751 0.4 . 1 . . . . . 35 SER CA . 52503 1 153 . 1 . 1 35 35 SER CB C 13 63.80046 0.4 . 1 . . . . . 35 SER CB . 52503 1 154 . 1 . 1 35 35 SER N N 15 116.82668 0.2 . 1 . . . . . 35 SER N . 52503 1 155 . 1 . 1 36 36 LYS H H 1 8.29648 0.04 . 1 . . . . . 36 LYS H . 52503 1 156 . 1 . 1 36 36 LYS C C 13 176.59511 0.4 . 1 . . . . . 36 LYS C . 52503 1 157 . 1 . 1 36 36 LYS CA C 13 56.36561 0.4 . 1 . . . . . 36 LYS CA . 52503 1 158 . 1 . 1 36 36 LYS CB C 13 32.88166 0.4 . 1 . . . . . 36 LYS CB . 52503 1 159 . 1 . 1 36 36 LYS N N 15 123.29978 0.2 . 1 . . . . . 36 LYS N . 52503 1 160 . 1 . 1 37 37 ILE H H 1 8.06871 0.04 . 1 . . . . . 37 ILE H . 52503 1 161 . 1 . 1 37 37 ILE C C 13 176.77191 0.4 . 1 . . . . . 37 ILE C . 52503 1 162 . 1 . 1 37 37 ILE CA C 13 61.4739 0.4 . 1 . . . . . 37 ILE CA . 52503 1 163 . 1 . 1 37 37 ILE CB C 13 38.47568 0.4 . 1 . . . . . 37 ILE CB . 52503 1 164 . 1 . 1 37 37 ILE N N 15 122.01624 0.2 . 1 . . . . . 37 ILE N . 52503 1 165 . 1 . 1 38 38 GLY H H 1 8.41945 0.04 . 1 . . . . . 38 GLY H . 52503 1 166 . 1 . 1 38 38 GLY C C 13 174.16383 0.4 . 1 . . . . . 38 GLY C . 52503 1 167 . 1 . 1 38 38 GLY CA C 13 45.24555 0.4 . 1 . . . . . 38 GLY CA . 52503 1 168 . 1 . 1 38 38 GLY N N 15 113.10287 0.2 . 1 . . . . . 38 GLY N . 52503 1 169 . 1 . 1 39 39 SER H H 1 8.14391 0.04 . 1 . . . . . 39 SER H . 52503 1 170 . 1 . 1 39 39 SER C C 13 175.19115 0.4 . 1 . . . . . 39 SER C . 52503 1 171 . 1 . 1 39 39 SER CA C 13 58.36662 0.4 . 1 . . . . . 39 SER CA . 52503 1 172 . 1 . 1 39 39 SER CB C 13 63.91812 0.4 . 1 . . . . . 39 SER CB . 52503 1 173 . 1 . 1 39 39 SER N N 15 115.58131 0.2 . 1 . . . . . 39 SER N . 52503 1 174 . 1 . 1 40 40 THR H H 1 8.22152 0.04 . 1 . . . . . 40 THR H . 52503 1 175 . 1 . 1 40 40 THR C C 13 174.85047 0.4 . 1 . . . . . 40 THR C . 52503 1 176 . 1 . 1 40 40 THR CA C 13 62.15776 0.4 . 1 . . . . . 40 THR CA . 52503 1 177 . 1 . 1 40 40 THR CB C 13 69.48978 0.4 . 1 . . . . . 40 THR CB . 52503 1 178 . 1 . 1 40 40 THR N N 15 115.61496 0.2 . 1 . . . . . 40 THR N . 52503 1 179 . 1 . 1 41 41 GLU H H 1 8.27438 0.04 . 1 . . . . . 41 GLU H . 52503 1 180 . 1 . 1 41 41 GLU C C 13 175.96939 0.4 . 1 . . . . . 41 GLU C . 52503 1 181 . 1 . 1 41 41 GLU CA C 13 56.5979 0.4 . 1 . . . . . 41 GLU CA . 52503 1 182 . 1 . 1 41 41 GLU CB C 13 29.39738 0.4 . 1 . . . . . 41 GLU CB . 52503 1 183 . 1 . 1 41 41 GLU N N 15 122.46138 0.2 . 1 . . . . . 41 GLU N . 52503 1 184 . 1 . 1 42 42 ASN H H 1 8.35467 0.04 . 1 . . . . . 42 ASN H . 52503 1 185 . 1 . 1 42 42 ASN C C 13 175.19775 0.4 . 1 . . . . . 42 ASN C . 52503 1 186 . 1 . 1 42 42 ASN CA C 13 53.3905 0.4 . 1 . . . . . 42 ASN CA . 52503 1 187 . 1 . 1 42 42 ASN CB C 13 38.56917 0.4 . 1 . . . . . 42 ASN CB . 52503 1 188 . 1 . 1 42 42 ASN N N 15 119.361 0.2 . 1 . . . . . 42 ASN N . 52503 1 189 . 1 . 1 43 43 LEU H H 1 8.03292 0.04 . 1 . . . . . 43 LEU H . 52503 1 190 . 1 . 1 43 43 LEU C C 13 177.38636 0.4 . 1 . . . . . 43 LEU C . 52503 1 191 . 1 . 1 43 43 LEU CA C 13 55.38721 0.4 . 1 . . . . . 43 LEU CA . 52503 1 192 . 1 . 1 43 43 LEU CB C 13 42.17404 0.4 . 1 . . . . . 43 LEU CB . 52503 1 193 . 1 . 1 43 43 LEU N N 15 122.12336 0.2 . 1 . . . . . 43 LEU N . 52503 1 194 . 1 . 1 44 44 LYS H H 1 8.09023 0.04 . 1 . . . . . 44 LYS H . 52503 1 195 . 1 . 1 44 44 LYS C C 13 176.33544 0.4 . 1 . . . . . 44 LYS C . 52503 1 196 . 1 . 1 44 44 LYS CA C 13 56.35439 0.4 . 1 . . . . . 44 LYS CA . 52503 1 197 . 1 . 1 44 44 LYS CB C 13 32.76433 0.4 . 1 . . . . . 44 LYS CB . 52503 1 198 . 1 . 1 44 44 LYS N N 15 120.7695 0.2 . 1 . . . . . 44 LYS N . 52503 1 199 . 1 . 1 45 45 HIS H H 1 8.29763 0.04 . 1 . . . . . 45 HIS H . 52503 1 200 . 1 . 1 45 45 HIS C C 13 174.00534 0.4 . 1 . . . . . 45 HIS C . 52503 1 201 . 1 . 1 45 45 HIS CA C 13 54.95452 0.4 . 1 . . . . . 45 HIS CA . 52503 1 202 . 1 . 1 45 45 HIS CB C 13 28.91614 0.4 . 1 . . . . . 45 HIS CB . 52503 1 203 . 1 . 1 45 45 HIS N N 15 118.93752 0.2 . 1 . . . . . 45 HIS N . 52503 1 204 . 1 . 1 46 46 GLN H H 1 8.40019 0.04 . 1 . . . . . 46 GLN H . 52503 1 205 . 1 . 1 46 46 GLN C C 13 174.03533 0.4 . 1 . . . . . 46 GLN C . 52503 1 206 . 1 . 1 46 46 GLN CA C 13 53.72596 0.4 . 1 . . . . . 46 GLN CA . 52503 1 207 . 1 . 1 46 46 GLN CB C 13 28.84637 0.4 . 1 . . . . . 46 GLN CB . 52503 1 208 . 1 . 1 46 46 GLN N N 15 123.03471 0.2 . 1 . . . . . 46 GLN N . 52503 1 209 . 1 . 1 50 50 GLY C C 13 173.97205 0.4 . 1 . . . . . 50 GLY C . 52503 1 210 . 1 . 1 50 50 GLY CA C 13 45.08065 0.4 . 1 . . . . . 50 GLY CA . 52503 1 211 . 1 . 1 51 51 LYS H H 1 8.09655 0.04 . 1 . . . . . 51 LYS H . 52503 1 212 . 1 . 1 51 51 LYS C C 13 176.60687 0.4 . 1 . . . . . 51 LYS C . 52503 1 213 . 1 . 1 51 51 LYS CA C 13 56.25617 0.4 . 1 . . . . . 51 LYS CA . 52503 1 214 . 1 . 1 51 51 LYS CB C 13 32.963 0.4 . 1 . . . . . 51 LYS CB . 52503 1 215 . 1 . 1 51 51 LYS N N 15 120.82534 0.2 . 1 . . . . . 51 LYS N . 52503 1 216 . 1 . 1 52 52 VAL H H 1 8.09459 0.04 . 1 . . . . . 52 VAL H . 52503 1 217 . 1 . 1 52 52 VAL C C 13 175.85299 0.4 . 1 . . . . . 52 VAL C . 52503 1 218 . 1 . 1 52 52 VAL CA C 13 62.35724 0.4 . 1 . . . . . 52 VAL CA . 52503 1 219 . 1 . 1 52 52 VAL CB C 13 32.77575 0.4 . 1 . . . . . 52 VAL CB . 52503 1 220 . 1 . 1 52 52 VAL N N 15 121.94077 0.2 . 1 . . . . . 52 VAL N . 52503 1 221 . 1 . 1 53 53 GLN H H 1 8.40991 0.04 . 1 . . . . . 53 GLN H . 52503 1 222 . 1 . 1 53 53 GLN C C 13 175.44063 0.4 . 1 . . . . . 53 GLN C . 52503 1 223 . 1 . 1 53 53 GLN CA C 13 55.53089 0.4 . 1 . . . . . 53 GLN CA . 52503 1 224 . 1 . 1 53 53 GLN CB C 13 29.59051 0.4 . 1 . . . . . 53 GLN CB . 52503 1 225 . 1 . 1 53 53 GLN N N 15 125.02248 0.2 . 1 . . . . . 53 GLN N . 52503 1 226 . 1 . 1 54 54 ILE H H 1 8.24015 0.04 . 1 . . . . . 54 ILE H . 52503 1 227 . 1 . 1 54 54 ILE C C 13 175.99107 0.4 . 1 . . . . . 54 ILE C . 52503 1 228 . 1 . 1 54 54 ILE CA C 13 60.96447 0.4 . 1 . . . . . 54 ILE CA . 52503 1 229 . 1 . 1 54 54 ILE CB C 13 38.44568 0.4 . 1 . . . . . 54 ILE CB . 52503 1 230 . 1 . 1 54 54 ILE N N 15 123.93031 0.2 . 1 . . . . . 54 ILE N . 52503 1 231 . 1 . 1 55 55 ILE H H 1 8.21562 0.04 . 1 . . . . . 55 ILE H . 52503 1 232 . 1 . 1 55 55 ILE C C 13 175.62951 0.4 . 1 . . . . . 55 ILE C . 52503 1 233 . 1 . 1 55 55 ILE CA C 13 60.82245 0.4 . 1 . . . . . 55 ILE CA . 52503 1 234 . 1 . 1 55 55 ILE CB C 13 38.59235 0.4 . 1 . . . . . 55 ILE CB . 52503 1 235 . 1 . 1 55 55 ILE N N 15 125.79797 0.2 . 1 . . . . . 55 ILE N . 52503 1 236 . 1 . 1 56 56 ASN H H 1 8.45869 0.04 . 1 . . . . . 56 ASN H . 52503 1 237 . 1 . 1 56 56 ASN C C 13 174.95891 0.4 . 1 . . . . . 56 ASN C . 52503 1 238 . 1 . 1 56 56 ASN CA C 13 53.00935 0.4 . 1 . . . . . 56 ASN CA . 52503 1 239 . 1 . 1 56 56 ASN CB C 13 38.8204 0.4 . 1 . . . . . 56 ASN CB . 52503 1 240 . 1 . 1 56 56 ASN N N 15 123.73048 0.2 . 1 . . . . . 56 ASN N . 52503 1 241 . 1 . 1 57 57 LYS H H 1 8.26281 0.04 . 1 . . . . . 57 LYS H . 52503 1 242 . 1 . 1 57 57 LYS C C 13 176.325 0.4 . 1 . . . . . 57 LYS C . 52503 1 243 . 1 . 1 57 57 LYS CA C 13 56.56482 0.4 . 1 . . . . . 57 LYS CA . 52503 1 244 . 1 . 1 57 57 LYS CB C 13 32.98497 0.4 . 1 . . . . . 57 LYS CB . 52503 1 245 . 1 . 1 57 57 LYS N N 15 122.77676 0.2 . 1 . . . . . 57 LYS N . 52503 1 246 . 1 . 1 58 58 LYS H H 1 8.22007 0.04 . 1 . . . . . 58 LYS H . 52503 1 247 . 1 . 1 58 58 LYS C C 13 176.41108 0.4 . 1 . . . . . 58 LYS C . 52503 1 248 . 1 . 1 58 58 LYS CA C 13 56.46681 0.4 . 1 . . . . . 58 LYS CA . 52503 1 249 . 1 . 1 58 58 LYS CB C 13 32.75564 0.4 . 1 . . . . . 58 LYS CB . 52503 1 250 . 1 . 1 58 58 LYS N N 15 122.3104 0.2 . 1 . . . . . 58 LYS N . 52503 1 251 . 1 . 1 59 59 LEU H H 1 8.07399 0.04 . 1 . . . . . 59 LEU H . 52503 1 252 . 1 . 1 59 59 LEU C C 13 176.71713 0.4 . 1 . . . . . 59 LEU C . 52503 1 253 . 1 . 1 59 59 LEU CA C 13 55.13618 0.4 . 1 . . . . . 59 LEU CA . 52503 1 254 . 1 . 1 59 59 LEU CB C 13 42.40642 0.4 . 1 . . . . . 59 LEU CB . 52503 1 255 . 1 . 1 59 59 LEU N N 15 123.30221 0.2 . 1 . . . . . 59 LEU N . 52503 1 256 . 1 . 1 60 60 ASP H H 1 8.29565 0.04 . 1 . . . . . 60 ASP H . 52503 1 257 . 1 . 1 60 60 ASP C C 13 175.94143 0.4 . 1 . . . . . 60 ASP C . 52503 1 258 . 1 . 1 60 60 ASP CA C 13 53.60208 0.4 . 1 . . . . . 60 ASP CA . 52503 1 259 . 1 . 1 60 60 ASP CB C 13 40.13914 0.4 . 1 . . . . . 60 ASP CB . 52503 1 260 . 1 . 1 60 60 ASP N N 15 121.40393 0.2 . 1 . . . . . 60 ASP N . 52503 1 261 . 1 . 1 61 61 LEU H H 1 8.23347 0.04 . 1 . . . . . 61 LEU H . 52503 1 262 . 1 . 1 61 61 LEU C C 13 177.71324 0.4 . 1 . . . . . 61 LEU C . 52503 1 263 . 1 . 1 61 61 LEU CA C 13 55.26342 0.4 . 1 . . . . . 61 LEU CA . 52503 1 264 . 1 . 1 61 61 LEU CB C 13 41.86986 0.4 . 1 . . . . . 61 LEU CB . 52503 1 265 . 1 . 1 61 61 LEU N N 15 123.57244 0.2 . 1 . . . . . 61 LEU N . 52503 1 266 . 1 . 1 62 62 SER H H 1 8.24998 0.04 . 1 . . . . . 62 SER H . 52503 1 267 . 1 . 1 62 62 SER C C 13 174.51153 0.4 . 1 . . . . . 62 SER C . 52503 1 268 . 1 . 1 62 62 SER CA C 13 59.17764 0.4 . 1 . . . . . 62 SER CA . 52503 1 269 . 1 . 1 62 62 SER CB C 13 63.63983 0.4 . 1 . . . . . 62 SER CB . 52503 1 270 . 1 . 1 62 62 SER N N 15 115.82401 0.2 . 1 . . . . . 62 SER N . 52503 1 271 . 1 . 1 63 63 ASN H H 1 8.24926 0.04 . 1 . . . . . 63 ASN H . 52503 1 272 . 1 . 1 63 63 ASN C C 13 175.28665 0.4 . 1 . . . . . 63 ASN C . 52503 1 273 . 1 . 1 63 63 ASN CA C 13 53.33631 0.4 . 1 . . . . . 63 ASN CA . 52503 1 274 . 1 . 1 63 63 ASN CB C 13 38.76377 0.4 . 1 . . . . . 63 ASN CB . 52503 1 275 . 1 . 1 63 63 ASN N N 15 120.32125 0.2 . 1 . . . . . 63 ASN N . 52503 1 276 . 1 . 1 64 64 VAL H H 1 7.88603 0.04 . 1 . . . . . 64 VAL H . 52503 1 277 . 1 . 1 64 64 VAL C C 13 176.37058 0.4 . 1 . . . . . 64 VAL C . 52503 1 278 . 1 . 1 64 64 VAL CA C 13 62.80581 0.4 . 1 . . . . . 64 VAL CA . 52503 1 279 . 1 . 1 64 64 VAL CB C 13 32.45624 0.4 . 1 . . . . . 64 VAL CB . 52503 1 280 . 1 . 1 64 64 VAL N N 15 119.92246 0.2 . 1 . . . . . 64 VAL N . 52503 1 281 . 1 . 1 65 65 GLN H H 1 8.36098 0.04 . 1 . . . . . 65 GLN H . 52503 1 282 . 1 . 1 65 65 GLN C C 13 176.17244 0.4 . 1 . . . . . 65 GLN C . 52503 1 283 . 1 . 1 65 65 GLN CA C 13 56.14142 0.4 . 1 . . . . . 65 GLN CA . 52503 1 284 . 1 . 1 65 65 GLN CB C 13 29.25453 0.4 . 1 . . . . . 65 GLN CB . 52503 1 285 . 1 . 1 65 65 GLN N N 15 123.46076 0.2 . 1 . . . . . 65 GLN N . 52503 1 286 . 1 . 1 66 66 SER H H 1 8.23067 0.04 . 1 . . . . . 66 SER H . 52503 1 287 . 1 . 1 66 66 SER C C 13 174.5474 0.4 . 1 . . . . . 66 SER C . 52503 1 288 . 1 . 1 66 66 SER CA C 13 58.36063 0.4 . 1 . . . . . 66 SER CA . 52503 1 289 . 1 . 1 66 66 SER CB C 13 63.80583 0.4 . 1 . . . . . 66 SER CB . 52503 1 290 . 1 . 1 66 66 SER N N 15 117.01582 0.2 . 1 . . . . . 66 SER N . 52503 1 291 . 1 . 1 67 67 LYS H H 1 8.34663 0.04 . 1 . . . . . 67 LYS H . 52503 1 292 . 1 . 1 67 67 LYS C C 13 176.62855 0.4 . 1 . . . . . 67 LYS C . 52503 1 293 . 1 . 1 67 67 LYS CA C 13 56.47974 0.4 . 1 . . . . . 67 LYS CA . 52503 1 294 . 1 . 1 67 67 LYS CB C 13 32.77233 0.4 . 1 . . . . . 67 LYS CB . 52503 1 295 . 1 . 1 67 67 LYS N N 15 123.30089 0.2 . 1 . . . . . 67 LYS N . 52503 1 296 . 1 . 1 68 68 CYS H H 1 8.27884 0.04 . 1 . . . . . 68 CYS H . 52503 1 297 . 1 . 1 68 68 CYS C C 13 175.06939 0.4 . 1 . . . . . 68 CYS C . 52503 1 298 . 1 . 1 68 68 CYS CA C 13 58.7038 0.4 . 1 . . . . . 68 CYS CA . 52503 1 299 . 1 . 1 68 68 CYS CB C 13 27.96466 0.4 . 1 . . . . . 68 CYS CB . 52503 1 300 . 1 . 1 68 68 CYS N N 15 119.78314 0.2 . 1 . . . . . 68 CYS N . 52503 1 301 . 1 . 1 69 69 GLY H H 1 8.42105 0.04 . 1 . . . . . 69 GLY H . 52503 1 302 . 1 . 1 69 69 GLY C C 13 174.11758 0.4 . 1 . . . . . 69 GLY C . 52503 1 303 . 1 . 1 69 69 GLY CA C 13 45.30192 0.4 . 1 . . . . . 69 GLY CA . 52503 1 304 . 1 . 1 69 69 GLY N N 15 111.50429 0.2 . 1 . . . . . 69 GLY N . 52503 1 305 . 1 . 1 70 70 SER H H 1 8.13992 0.04 . 1 . . . . . 70 SER H . 52503 1 306 . 1 . 1 70 70 SER C C 13 174.90806 0.4 . 1 . . . . . 70 SER C . 52503 1 307 . 1 . 1 70 70 SER CA C 13 58.42479 0.4 . 1 . . . . . 70 SER CA . 52503 1 308 . 1 . 1 70 70 SER CB C 13 63.89926 0.4 . 1 . . . . . 70 SER CB . 52503 1 309 . 1 . 1 70 70 SER N N 15 115.61956 0.2 . 1 . . . . . 70 SER N . 52503 1 310 . 1 . 1 71 71 LYS H H 1 8.37722 0.04 . 1 . . . . . 71 LYS H . 52503 1 311 . 1 . 1 71 71 LYS C C 13 176.32797 0.4 . 1 . . . . . 71 LYS C . 52503 1 312 . 1 . 1 71 71 LYS CA C 13 56.5273 0.4 . 1 . . . . . 71 LYS CA . 52503 1 313 . 1 . 1 71 71 LYS CB C 13 32.68944 0.4 . 1 . . . . . 71 LYS CB . 52503 1 314 . 1 . 1 71 71 LYS N N 15 122.99062 0.2 . 1 . . . . . 71 LYS N . 52503 1 315 . 1 . 1 72 72 ASP H H 1 8.18606 0.04 . 1 . . . . . 72 ASP H . 52503 1 316 . 1 . 1 72 72 ASP C C 13 175.53211 0.4 . 1 . . . . . 72 ASP C . 52503 1 317 . 1 . 1 72 72 ASP CA C 13 54.09305 0.4 . 1 . . . . . 72 ASP CA . 52503 1 318 . 1 . 1 72 72 ASP CB C 13 40.29889 0.4 . 1 . . . . . 72 ASP CB . 52503 1 319 . 1 . 1 72 72 ASP N N 15 119.95152 0.2 . 1 . . . . . 72 ASP N . 52503 1 320 . 1 . 1 73 73 ASN H H 1 8.25549 0.04 . 1 . . . . . 73 ASN H . 52503 1 321 . 1 . 1 73 73 ASN C C 13 174.96384 0.4 . 1 . . . . . 73 ASN C . 52503 1 322 . 1 . 1 73 73 ASN CA C 13 53.27906 0.4 . 1 . . . . . 73 ASN CA . 52503 1 323 . 1 . 1 73 73 ASN CB C 13 38.68226 0.4 . 1 . . . . . 73 ASN CB . 52503 1 324 . 1 . 1 73 73 ASN N N 15 118.96296 0.2 . 1 . . . . . 73 ASN N . 52503 1 325 . 1 . 1 74 74 ILE H H 1 7.86024 0.04 . 1 . . . . . 74 ILE H . 52503 1 326 . 1 . 1 74 74 ILE C C 13 175.94849 0.4 . 1 . . . . . 74 ILE C . 52503 1 327 . 1 . 1 74 74 ILE CA C 13 61.09732 0.4 . 1 . . . . . 74 ILE CA . 52503 1 328 . 1 . 1 74 74 ILE CB C 13 38.54197 0.4 . 1 . . . . . 74 ILE CB . 52503 1 329 . 1 . 1 74 74 ILE N N 15 120.65741 0.2 . 1 . . . . . 74 ILE N . 52503 1 330 . 1 . 1 75 75 LYS H H 1 8.24264 0.04 . 1 . . . . . 75 LYS H . 52503 1 331 . 1 . 1 75 75 LYS C C 13 176.04772 0.4 . 1 . . . . . 75 LYS C . 52503 1 332 . 1 . 1 75 75 LYS CA C 13 56.01161 0.4 . 1 . . . . . 75 LYS CA . 52503 1 333 . 1 . 1 75 75 LYS CB C 13 32.92681 0.4 . 1 . . . . . 75 LYS CB . 52503 1 334 . 1 . 1 75 75 LYS N N 15 124.93805 0.2 . 1 . . . . . 75 LYS N . 52503 1 335 . 1 . 1 76 76 HIS H H 1 8.46188 0.04 . 1 . . . . . 76 HIS H . 52503 1 336 . 1 . 1 76 76 HIS C C 13 174.03281 0.4 . 1 . . . . . 76 HIS C . 52503 1 337 . 1 . 1 76 76 HIS CA C 13 55.00798 0.4 . 1 . . . . . 76 HIS CA . 52503 1 338 . 1 . 1 76 76 HIS CB C 13 28.99774 0.4 . 1 . . . . . 76 HIS CB . 52503 1 339 . 1 . 1 76 76 HIS N N 15 120.69745 0.2 . 1 . . . . . 76 HIS N . 52503 1 340 . 1 . 1 77 77 VAL H H 1 8.20412 0.04 . 1 . . . . . 77 VAL H . 52503 1 341 . 1 . 1 77 77 VAL C C 13 174.36432 0.4 . 1 . . . . . 77 VAL C . 52503 1 342 . 1 . 1 77 77 VAL CA C 13 59.77325 0.4 . 1 . . . . . 77 VAL CA . 52503 1 343 . 1 . 1 77 77 VAL CB C 13 32.46111 0.4 . 1 . . . . . 77 VAL CB . 52503 1 344 . 1 . 1 77 77 VAL N N 15 123.15138 0.2 . 1 . . . . . 77 VAL N . 52503 1 345 . 1 . 1 82 82 SER H H 1 8.15184 0.04 . 1 . . . . . 82 SER H . 52503 1 346 . 1 . 1 82 82 SER C C 13 174.44882 0.4 . 1 . . . . . 82 SER C . 52503 1 347 . 1 . 1 82 82 SER CA C 13 58.19036 0.4 . 1 . . . . . 82 SER CA . 52503 1 348 . 1 . 1 82 82 SER CB C 13 63.92692 0.4 . 1 . . . . . 82 SER CB . 52503 1 349 . 1 . 1 82 82 SER N N 15 115.60031 0.2 . 1 . . . . . 82 SER N . 52503 1 350 . 1 . 1 83 83 VAL H H 1 8.09126 0.04 . 1 . . . . . 83 VAL H . 52503 1 351 . 1 . 1 83 83 VAL C C 13 175.81958 0.4 . 1 . . . . . 83 VAL C . 52503 1 352 . 1 . 1 83 83 VAL CA C 13 62.2117 0.4 . 1 . . . . . 83 VAL CA . 52503 1 353 . 1 . 1 83 83 VAL CB C 13 32.70454 0.4 . 1 . . . . . 83 VAL CB . 52503 1 354 . 1 . 1 83 83 VAL N N 15 121.66035 0.2 . 1 . . . . . 83 VAL N . 52503 1 355 . 1 . 1 84 84 GLN H H 1 8.35975 0.04 . 1 . . . . . 84 GLN H . 52503 1 356 . 1 . 1 84 84 GLN C C 13 175.44995 0.4 . 1 . . . . . 84 GLN C . 52503 1 357 . 1 . 1 84 84 GLN CA C 13 55.53959 0.4 . 1 . . . . . 84 GLN CA . 52503 1 358 . 1 . 1 84 84 GLN CB C 13 29.48668 0.4 . 1 . . . . . 84 GLN CB . 52503 1 359 . 1 . 1 84 84 GLN N N 15 124.61559 0.2 . 1 . . . . . 84 GLN N . 52503 1 360 . 1 . 1 85 85 ILE H H 1 8.17612 0.04 . 1 . . . . . 85 ILE H . 52503 1 361 . 1 . 1 85 85 ILE C C 13 175.63442 0.4 . 1 . . . . . 85 ILE C . 52503 1 362 . 1 . 1 85 85 ILE CA C 13 60.93738 0.4 . 1 . . . . . 85 ILE CA . 52503 1 363 . 1 . 1 85 85 ILE CB C 13 38.5835 0.4 . 1 . . . . . 85 ILE CB . 52503 1 364 . 1 . 1 85 85 ILE N N 15 123.94788 0.2 . 1 . . . . . 85 ILE N . 52503 1 365 . 1 . 1 86 86 VAL H H 1 8.10312 0.04 . 1 . . . . . 86 VAL H . 52503 1 366 . 1 . 1 86 86 VAL C C 13 175.39095 0.4 . 1 . . . . . 86 VAL C . 52503 1 367 . 1 . 1 86 86 VAL CA C 13 61.91379 0.4 . 1 . . . . . 86 VAL CA . 52503 1 368 . 1 . 1 86 86 VAL CB C 13 32.86077 0.4 . 1 . . . . . 86 VAL CB . 52503 1 369 . 1 . 1 86 86 VAL N N 15 125.34645 0.2 . 1 . . . . . 86 VAL N . 52503 1 370 . 1 . 1 87 87 TYR H H 1 8.34002 0.04 . 1 . . . . . 87 TYR H . 52503 1 371 . 1 . 1 87 87 TYR C C 13 174.96107 0.4 . 1 . . . . . 87 TYR C . 52503 1 372 . 1 . 1 87 87 TYR CA C 13 57.81453 0.4 . 1 . . . . . 87 TYR CA . 52503 1 373 . 1 . 1 87 87 TYR CB C 13 38.94612 0.4 . 1 . . . . . 87 TYR CB . 52503 1 374 . 1 . 1 87 87 TYR N N 15 125.99982 0.2 . 1 . . . . . 87 TYR N . 52503 1 375 . 1 . 1 88 88 LYS H H 1 8.07985 0.04 . 1 . . . . . 88 LYS H . 52503 1 376 . 1 . 1 88 88 LYS C C 13 173.53421 0.4 . 1 . . . . . 88 LYS C . 52503 1 377 . 1 . 1 88 88 LYS CA C 13 53.56677 0.4 . 1 . . . . . 88 LYS CA . 52503 1 378 . 1 . 1 88 88 LYS CB C 13 32.9223 0.4 . 1 . . . . . 88 LYS CB . 52503 1 379 . 1 . 1 88 88 LYS N N 15 125.75117 0.2 . 1 . . . . . 88 LYS N . 52503 1 380 . 1 . 1 89 89 PRO C C 13 176.82456 0.4 . 1 . . . . . 89 PRO C . 52503 1 381 . 1 . 1 89 89 PRO CA C 13 62.93456 0.4 . 1 . . . . . 89 PRO CA . 52503 1 382 . 1 . 1 89 89 PRO CB C 13 32.02102 0.4 . 1 . . . . . 89 PRO CB . 52503 1 383 . 1 . 1 90 90 VAL H H 1 8.09457 0.04 . 1 . . . . . 90 VAL H . 52503 1 384 . 1 . 1 90 90 VAL C C 13 175.61731 0.4 . 1 . . . . . 90 VAL C . 52503 1 385 . 1 . 1 90 90 VAL CA C 13 62.34132 0.4 . 1 . . . . . 90 VAL CA . 52503 1 386 . 1 . 1 90 90 VAL CB C 13 32.87943 0.4 . 1 . . . . . 90 VAL CB . 52503 1 387 . 1 . 1 90 90 VAL N N 15 120.23233 0.2 . 1 . . . . . 90 VAL N . 52503 1 388 . 1 . 1 91 91 ASP H H 1 8.32305 0.04 . 1 . . . . . 91 ASP H . 52503 1 389 . 1 . 1 91 91 ASP C C 13 176.26204 0.4 . 1 . . . . . 91 ASP C . 52503 1 390 . 1 . 1 91 91 ASP CA C 13 53.41318 0.4 . 1 . . . . . 91 ASP CA . 52503 1 391 . 1 . 1 91 91 ASP CB C 13 40.3552 0.4 . 1 . . . . . 91 ASP CB . 52503 1 392 . 1 . 1 91 91 ASP N N 15 123.74995 0.2 . 1 . . . . . 91 ASP N . 52503 1 393 . 1 . 1 92 92 LEU H H 1 8.38942 0.04 . 1 . . . . . 92 LEU H . 52503 1 394 . 1 . 1 92 92 LEU C C 13 177.8713 0.4 . 1 . . . . . 92 LEU C . 52503 1 395 . 1 . 1 92 92 LEU CA C 13 55.56159 0.4 . 1 . . . . . 92 LEU CA . 52503 1 396 . 1 . 1 92 92 LEU CB C 13 41.78904 0.4 . 1 . . . . . 92 LEU CB . 52503 1 397 . 1 . 1 92 92 LEU N N 15 124.87744 0.2 . 1 . . . . . 92 LEU N . 52503 1 398 . 1 . 1 93 93 SER H H 1 8.30444 0.04 . 1 . . . . . 93 SER H . 52503 1 399 . 1 . 1 93 93 SER C C 13 174.83472 0.4 . 1 . . . . . 93 SER C . 52503 1 400 . 1 . 1 93 93 SER CA C 13 59.52194 0.4 . 1 . . . . . 93 SER CA . 52503 1 401 . 1 . 1 93 93 SER CB C 13 63.519 0.4 . 1 . . . . . 93 SER CB . 52503 1 402 . 1 . 1 93 93 SER N N 15 116.01393 0.2 . 1 . . . . . 93 SER N . 52503 1 403 . 1 . 1 94 94 LYS H H 1 7.94275 0.04 . 1 . . . . . 94 LYS H . 52503 1 404 . 1 . 1 94 94 LYS C C 13 176.60941 0.4 . 1 . . . . . 94 LYS C . 52503 1 405 . 1 . 1 94 94 LYS CA C 13 56.17041 0.4 . 1 . . . . . 94 LYS CA . 52503 1 406 . 1 . 1 94 94 LYS CB C 13 32.80708 0.4 . 1 . . . . . 94 LYS CB . 52503 1 407 . 1 . 1 94 94 LYS N N 15 122.09477 0.2 . 1 . . . . . 94 LYS N . 52503 1 408 . 1 . 1 95 95 VAL H H 1 7.87734 0.04 . 1 . . . . . 95 VAL H . 52503 1 409 . 1 . 1 95 95 VAL C C 13 176.46968 0.4 . 1 . . . . . 95 VAL C . 52503 1 410 . 1 . 1 95 95 VAL CA C 13 62.58707 0.4 . 1 . . . . . 95 VAL CA . 52503 1 411 . 1 . 1 95 95 VAL CB C 13 32.58956 0.4 . 1 . . . . . 95 VAL CB . 52503 1 412 . 1 . 1 95 95 VAL N N 15 120.64787 0.2 . 1 . . . . . 95 VAL N . 52503 1 413 . 1 . 1 96 96 THR H H 1 8.14273 0.04 . 1 . . . . . 96 THR H . 52503 1 414 . 1 . 1 96 96 THR C C 13 174.55135 0.4 . 1 . . . . . 96 THR C . 52503 1 415 . 1 . 1 96 96 THR CA C 13 61.81413 0.4 . 1 . . . . . 96 THR CA . 52503 1 416 . 1 . 1 96 96 THR CB C 13 69.81229 0.4 . 1 . . . . . 96 THR CB . 52503 1 417 . 1 . 1 96 96 THR N N 15 117.59741 0.2 . 1 . . . . . 96 THR N . 52503 1 418 . 1 . 1 97 97 SER H H 1 8.19985 0.04 . 1 . . . . . 97 SER H . 52503 1 419 . 1 . 1 97 97 SER C C 13 174.44439 0.4 . 1 . . . . . 97 SER C . 52503 1 420 . 1 . 1 97 97 SER CA C 13 58.32838 0.4 . 1 . . . . . 97 SER CA . 52503 1 421 . 1 . 1 97 97 SER CB C 13 63.86296 0.4 . 1 . . . . . 97 SER CB . 52503 1 422 . 1 . 1 97 97 SER N N 15 118.13502 0.2 . 1 . . . . . 97 SER N . 52503 1 423 . 1 . 1 98 98 LYS H H 1 8.30602 0.04 . 1 . . . . . 98 LYS H . 52503 1 424 . 1 . 1 98 98 LYS C C 13 176.60301 0.4 . 1 . . . . . 98 LYS C . 52503 1 425 . 1 . 1 98 98 LYS CA C 13 56.365 0.4 . 1 . . . . . 98 LYS CA . 52503 1 426 . 1 . 1 98 98 LYS CB C 13 32.91136 0.4 . 1 . . . . . 98 LYS CB . 52503 1 427 . 1 . 1 98 98 LYS N N 15 123.47563 0.2 . 1 . . . . . 98 LYS N . 52503 1 428 . 1 . 1 100 100 GLY H H 1 8.27653 0.04 . 1 . . . . . 100 GLY H . 52503 1 429 . 1 . 1 100 100 GLY C C 13 174.11808 0.4 . 1 . . . . . 100 GLY C . 52503 1 430 . 1 . 1 100 100 GLY CA C 13 45.28768 0.4 . 1 . . . . . 100 GLY CA . 52503 1 431 . 1 . 1 100 100 GLY N N 15 108.71219 0.2 . 1 . . . . . 100 GLY N . 52503 1 432 . 1 . 1 101 101 SER H H 1 8.16063 0.04 . 1 . . . . . 101 SER H . 52503 1 433 . 1 . 1 101 101 SER C C 13 174.82088 0.4 . 1 . . . . . 101 SER C . 52503 1 434 . 1 . 1 101 101 SER CA C 13 58.38 0.4 . 1 . . . . . 101 SER CA . 52503 1 435 . 1 . 1 101 101 SER CB C 13 63.87555 0.4 . 1 . . . . . 101 SER CB . 52503 1 436 . 1 . 1 101 101 SER N N 15 115.60528 0.2 . 1 . . . . . 101 SER N . 52503 1 437 . 1 . 1 102 102 LEU H H 1 8.26721 0.04 . 1 . . . . . 102 LEU H . 52503 1 438 . 1 . 1 102 102 LEU C C 13 177.93378 0.4 . 1 . . . . . 102 LEU C . 52503 1 439 . 1 . 1 102 102 LEU CA C 13 55.50357 0.4 . 1 . . . . . 102 LEU CA . 52503 1 440 . 1 . 1 102 102 LEU CB C 13 42.11204 0.4 . 1 . . . . . 102 LEU CB . 52503 1 441 . 1 . 1 102 102 LEU N N 15 123.78638 0.2 . 1 . . . . . 102 LEU N . 52503 1 442 . 1 . 1 103 103 GLY H H 1 8.24436 0.04 . 1 . . . . . 103 GLY H . 52503 1 443 . 1 . 1 103 103 GLY C C 13 173.9061 0.4 . 1 . . . . . 103 GLY C . 52503 1 444 . 1 . 1 103 103 GLY CA C 13 45.33592 0.4 . 1 . . . . . 103 GLY CA . 52503 1 445 . 1 . 1 103 103 GLY N N 15 108.59192 0.2 . 1 . . . . . 103 GLY N . 52503 1 446 . 1 . 1 104 104 ASN H H 1 8.17512 0.04 . 1 . . . . . 104 ASN H . 52503 1 447 . 1 . 1 104 104 ASN C C 13 175.25636 0.4 . 1 . . . . . 104 ASN C . 52503 1 448 . 1 . 1 104 104 ASN CA C 13 53.03375 0.4 . 1 . . . . . 104 ASN CA . 52503 1 449 . 1 . 1 104 104 ASN CB C 13 38.73701 0.4 . 1 . . . . . 104 ASN CB . 52503 1 450 . 1 . 1 104 104 ASN N N 15 118.57966 0.2 . 1 . . . . . 104 ASN N . 52503 1 451 . 1 . 1 105 105 ILE H H 1 7.87709 0.04 . 1 . . . . . 105 ILE H . 52503 1 452 . 1 . 1 105 105 ILE C C 13 175.97265 0.4 . 1 . . . . . 105 ILE C . 52503 1 453 . 1 . 1 105 105 ILE CA C 13 61.3155 0.4 . 1 . . . . . 105 ILE CA . 52503 1 454 . 1 . 1 105 105 ILE CB C 13 38.34792 0.4 . 1 . . . . . 105 ILE CB . 52503 1 455 . 1 . 1 105 105 ILE N N 15 120.2404 0.2 . 1 . . . . . 105 ILE N . 52503 1 456 . 1 . 1 106 106 HIS H H 1 8.47362 0.04 . 1 . . . . . 106 HIS H . 52503 1 457 . 1 . 1 106 106 HIS C C 13 173.94334 0.4 . 1 . . . . . 106 HIS C . 52503 1 458 . 1 . 1 106 106 HIS CA C 13 54.87628 0.4 . 1 . . . . . 106 HIS CA . 52503 1 459 . 1 . 1 106 106 HIS CB C 13 28.74636 0.4 . 1 . . . . . 106 HIS CB . 52503 1 460 . 1 . 1 106 106 HIS N N 15 121.73162 0.2 . 1 . . . . . 106 HIS N . 52503 1 461 . 1 . 1 107 107 HIS H H 1 8.36856 0.04 . 1 . . . . . 107 HIS H . 52503 1 462 . 1 . 1 107 107 HIS C C 13 173.84787 0.4 . 1 . . . . . 107 HIS C . 52503 1 463 . 1 . 1 107 107 HIS CA C 13 55.04736 0.4 . 1 . . . . . 107 HIS CA . 52503 1 464 . 1 . 1 107 107 HIS CB C 13 29.2486 0.4 . 1 . . . . . 107 HIS CB . 52503 1 465 . 1 . 1 107 107 HIS N N 15 120.11611 0.2 . 1 . . . . . 107 HIS N . 52503 1 466 . 1 . 1 108 108 LYS H H 1 8.46227 0.04 . 1 . . . . . 108 LYS H . 52503 1 467 . 1 . 1 108 108 LYS C C 13 174.50212 0.4 . 1 . . . . . 108 LYS C . 52503 1 468 . 1 . 1 108 108 LYS CA C 13 54.46843 0.4 . 1 . . . . . 108 LYS CA . 52503 1 469 . 1 . 1 108 108 LYS CB C 13 32.4318 0.4 . 1 . . . . . 108 LYS CB . 52503 1 470 . 1 . 1 108 108 LYS N N 15 124.81504 0.2 . 1 . . . . . 108 LYS N . 52503 1 471 . 1 . 1 112 112 GLY H H 1 8.2861 0.04 . 1 . . . . . 112 GLY H . 52503 1 472 . 1 . 1 112 112 GLY C C 13 174.04068 0.4 . 1 . . . . . 112 GLY C . 52503 1 473 . 1 . 1 112 112 GLY CA C 13 45.13361 0.4 . 1 . . . . . 112 GLY CA . 52503 1 474 . 1 . 1 112 112 GLY N N 15 108.74352 0.2 . 1 . . . . . 112 GLY N . 52503 1 475 . 1 . 1 113 113 GLN H H 1 8.20716 0.04 . 1 . . . . . 113 GLN H . 52503 1 476 . 1 . 1 113 113 GLN C C 13 175.926 0.4 . 1 . . . . . 113 GLN C . 52503 1 477 . 1 . 1 113 113 GLN CA C 13 55.7654 0.4 . 1 . . . . . 113 GLN CA . 52503 1 478 . 1 . 1 113 113 GLN CB C 13 29.48914 0.4 . 1 . . . . . 113 GLN CB . 52503 1 479 . 1 . 1 113 113 GLN N N 15 119.93111 0.2 . 1 . . . . . 113 GLN N . 52503 1 480 . 1 . 1 114 114 VAL H H 1 8.14111 0.04 . 1 . . . . . 114 VAL H . 52503 1 481 . 1 . 1 114 114 VAL C C 13 175.92981 0.4 . 1 . . . . . 114 VAL C . 52503 1 482 . 1 . 1 114 114 VAL CA C 13 62.37213 0.4 . 1 . . . . . 114 VAL CA . 52503 1 483 . 1 . 1 114 114 VAL CB C 13 32.64661 0.4 . 1 . . . . . 114 VAL CB . 52503 1 484 . 1 . 1 114 114 VAL N N 15 121.65255 0.2 . 1 . . . . . 114 VAL N . 52503 1 485 . 1 . 1 115 115 GLU H H 1 8.39393 0.04 . 1 . . . . . 115 GLU H . 52503 1 486 . 1 . 1 115 115 GLU C C 13 175.92772 0.4 . 1 . . . . . 115 GLU C . 52503 1 487 . 1 . 1 115 115 GLU CA C 13 55.84678 0.4 . 1 . . . . . 115 GLU CA . 52503 1 488 . 1 . 1 115 115 GLU CB C 13 29.55365 0.4 . 1 . . . . . 115 GLU CB . 52503 1 489 . 1 . 1 115 115 GLU N N 15 124.9337 0.2 . 1 . . . . . 115 GLU N . 52503 1 490 . 1 . 1 116 116 VAL H H 1 8.20137 0.04 . 1 . . . . . 116 VAL H . 52503 1 491 . 1 . 1 116 116 VAL C C 13 176.12636 0.4 . 1 . . . . . 116 VAL C . 52503 1 492 . 1 . 1 116 116 VAL CA C 13 62.36383 0.4 . 1 . . . . . 116 VAL CA . 52503 1 493 . 1 . 1 116 116 VAL CB C 13 32.66211 0.4 . 1 . . . . . 116 VAL CB . 52503 1 494 . 1 . 1 116 116 VAL N N 15 122.77976 0.2 . 1 . . . . . 116 VAL N . 52503 1 495 . 1 . 1 117 117 LYS H H 1 8.37965 0.04 . 1 . . . . . 117 LYS H . 52503 1 496 . 1 . 1 117 117 LYS C C 13 176.46314 0.4 . 1 . . . . . 117 LYS C . 52503 1 497 . 1 . 1 117 117 LYS CA C 13 56.38362 0.4 . 1 . . . . . 117 LYS CA . 52503 1 498 . 1 . 1 117 117 LYS CB C 13 32.91938 0.4 . 1 . . . . . 117 LYS CB . 52503 1 499 . 1 . 1 117 117 LYS N N 15 125.49112 0.2 . 1 . . . . . 117 LYS N . 52503 1 500 . 1 . 1 118 118 SER H H 1 8.23104 0.04 . 1 . . . . . 118 SER H . 52503 1 501 . 1 . 1 118 118 SER C C 13 174.51624 0.4 . 1 . . . . . 118 SER C . 52503 1 502 . 1 . 1 118 118 SER CA C 13 58.29004 0.4 . 1 . . . . . 118 SER CA . 52503 1 503 . 1 . 1 118 118 SER CB C 13 63.71867 0.4 . 1 . . . . . 118 SER CB . 52503 1 504 . 1 . 1 118 118 SER N N 15 117.03094 0.2 . 1 . . . . . 118 SER N . 52503 1 505 . 1 . 1 119 119 GLU H H 1 8.35758 0.04 . 1 . . . . . 119 GLU H . 52503 1 506 . 1 . 1 119 119 GLU C C 13 176.03468 0.4 . 1 . . . . . 119 GLU C . 52503 1 507 . 1 . 1 119 119 GLU CA C 13 56.19139 0.4 . 1 . . . . . 119 GLU CA . 52503 1 508 . 1 . 1 119 119 GLU CB C 13 29.43813 0.4 . 1 . . . . . 119 GLU CB . 52503 1 509 . 1 . 1 119 119 GLU N N 15 122.87586 0.2 . 1 . . . . . 119 GLU N . 52503 1 510 . 1 . 1 120 120 LYS H H 1 8.21538 0.04 . 1 . . . . . 120 LYS H . 52503 1 511 . 1 . 1 120 120 LYS C C 13 176.38508 0.4 . 1 . . . . . 120 LYS C . 52503 1 512 . 1 . 1 120 120 LYS CA C 13 56.3827 0.4 . 1 . . . . . 120 LYS CA . 52503 1 513 . 1 . 1 120 120 LYS CB C 13 32.75256 0.4 . 1 . . . . . 120 LYS CB . 52503 1 514 . 1 . 1 120 120 LYS N N 15 122.07352 0.2 . 1 . . . . . 120 LYS N . 52503 1 515 . 1 . 1 121 121 LEU H H 1 8.10583 0.04 . 1 . . . . . 121 LEU H . 52503 1 516 . 1 . 1 121 121 LEU C C 13 176.74645 0.4 . 1 . . . . . 121 LEU C . 52503 1 517 . 1 . 1 121 121 LEU CA C 13 55.04555 0.4 . 1 . . . . . 121 LEU CA . 52503 1 518 . 1 . 1 121 121 LEU CB C 13 42.3149 0.4 . 1 . . . . . 121 LEU CB . 52503 1 519 . 1 . 1 121 121 LEU N N 15 123.07565 0.2 . 1 . . . . . 121 LEU N . 52503 1 520 . 1 . 1 122 122 ASP H H 1 8.21036 0.04 . 1 . . . . . 122 ASP H . 52503 1 521 . 1 . 1 122 122 ASP C C 13 175.65208 0.4 . 1 . . . . . 122 ASP C . 52503 1 522 . 1 . 1 122 122 ASP CA C 13 53.51122 0.4 . 1 . . . . . 122 ASP CA . 52503 1 523 . 1 . 1 122 122 ASP CB C 13 40.11923 0.4 . 1 . . . . . 122 ASP CB . 52503 1 524 . 1 . 1 122 122 ASP N N 15 120.46912 0.2 . 1 . . . . . 122 ASP N . 52503 1 525 . 1 . 1 123 123 PHE H H 1 8.10559 0.04 . 1 . . . . . 123 PHE H . 52503 1 526 . 1 . 1 123 123 PHE C C 13 176.14532 0.4 . 1 . . . . . 123 PHE C . 52503 1 527 . 1 . 1 123 123 PHE CA C 13 58.47848 0.4 . 1 . . . . . 123 PHE CA . 52503 1 528 . 1 . 1 123 123 PHE CB C 13 39.22778 0.4 . 1 . . . . . 123 PHE CB . 52503 1 529 . 1 . 1 123 123 PHE N N 15 121.08134 0.2 . 1 . . . . . 123 PHE N . 52503 1 530 . 1 . 1 124 124 LYS H H 1 8.11536 0.04 . 1 . . . . . 124 LYS H . 52503 1 531 . 1 . 1 124 124 LYS C C 13 176.33308 0.4 . 1 . . . . . 124 LYS C . 52503 1 532 . 1 . 1 124 124 LYS CA C 13 56.99216 0.4 . 1 . . . . . 124 LYS CA . 52503 1 533 . 1 . 1 124 124 LYS CB C 13 32.61449 0.4 . 1 . . . . . 124 LYS CB . 52503 1 534 . 1 . 1 124 124 LYS N N 15 121.4818 0.2 . 1 . . . . . 124 LYS N . 52503 1 535 . 1 . 1 125 125 ASP H H 1 8.05095 0.04 . 1 . . . . . 125 ASP H . 52503 1 536 . 1 . 1 125 125 ASP C C 13 175.66046 0.4 . 1 . . . . . 125 ASP C . 52503 1 537 . 1 . 1 125 125 ASP CA C 13 54.0455 0.4 . 1 . . . . . 125 ASP CA . 52503 1 538 . 1 . 1 125 125 ASP CB C 13 40.02941 0.4 . 1 . . . . . 125 ASP CB . 52503 1 539 . 1 . 1 125 125 ASP N N 15 119.2764 0.2 . 1 . . . . . 125 ASP N . 52503 1 540 . 1 . 1 126 126 ARG H H 1 7.99163 0.04 . 1 . . . . . 126 ARG H . 52503 1 541 . 1 . 1 126 126 ARG C C 13 176.34178 0.4 . 1 . . . . . 126 ARG C . 52503 1 542 . 1 . 1 126 126 ARG CA C 13 56.37365 0.4 . 1 . . . . . 126 ARG CA . 52503 1 543 . 1 . 1 126 126 ARG CB C 13 30.67289 0.4 . 1 . . . . . 126 ARG CB . 52503 1 544 . 1 . 1 126 126 ARG N N 15 120.84789 0.2 . 1 . . . . . 126 ARG N . 52503 1 545 . 1 . 1 127 127 VAL H H 1 8.04766 0.04 . 1 . . . . . 127 VAL H . 52503 1 546 . 1 . 1 127 127 VAL C C 13 176.31054 0.4 . 1 . . . . . 127 VAL C . 52503 1 547 . 1 . 1 127 127 VAL CA C 13 62.6763 0.4 . 1 . . . . . 127 VAL CA . 52503 1 548 . 1 . 1 127 127 VAL CB C 13 32.48249 0.4 . 1 . . . . . 127 VAL CB . 52503 1 549 . 1 . 1 127 127 VAL N N 15 121.21217 0.2 . 1 . . . . . 127 VAL N . 52503 1 550 . 1 . 1 128 128 GLN H H 1 8.39335 0.04 . 1 . . . . . 128 GLN H . 52503 1 551 . 1 . 1 128 128 GLN C C 13 175.96007 0.4 . 1 . . . . . 128 GLN C . 52503 1 552 . 1 . 1 128 128 GLN CA C 13 56.01591 0.4 . 1 . . . . . 128 GLN CA . 52503 1 553 . 1 . 1 128 128 GLN CB C 13 29.3988 0.4 . 1 . . . . . 128 GLN CB . 52503 1 554 . 1 . 1 128 128 GLN N N 15 124.09932 0.2 . 1 . . . . . 128 GLN N . 52503 1 555 . 1 . 1 129 129 SER H H 1 8.24146 0.04 . 1 . . . . . 129 SER H . 52503 1 556 . 1 . 1 129 129 SER C C 13 174.67747 0.4 . 1 . . . . . 129 SER C . 52503 1 557 . 1 . 1 129 129 SER CA C 13 58.49833 0.4 . 1 . . . . . 129 SER CA . 52503 1 558 . 1 . 1 129 129 SER CB C 13 63.78148 0.4 . 1 . . . . . 129 SER CB . 52503 1 559 . 1 . 1 129 129 SER N N 15 117.29045 0.2 . 1 . . . . . 129 SER N . 52503 1 560 . 1 . 1 130 130 LYS H H 1 8.31121 0.04 . 1 . . . . . 130 LYS H . 52503 1 561 . 1 . 1 130 130 LYS C C 13 176.61051 0.4 . 1 . . . . . 130 LYS C . 52503 1 562 . 1 . 1 130 130 LYS CA C 13 56.37138 0.4 . 1 . . . . . 130 LYS CA . 52503 1 563 . 1 . 1 130 130 LYS CB C 13 32.79651 0.4 . 1 . . . . . 130 LYS CB . 52503 1 564 . 1 . 1 130 130 LYS N N 15 123.14526 0.2 . 1 . . . . . 130 LYS N . 52503 1 565 . 1 . 1 131 131 ILE H H 1 8.05787 0.04 . 1 . . . . . 131 ILE H . 52503 1 566 . 1 . 1 131 131 ILE C C 13 176.76236 0.4 . 1 . . . . . 131 ILE C . 52503 1 567 . 1 . 1 131 131 ILE CA C 13 61.46008 0.4 . 1 . . . . . 131 ILE CA . 52503 1 568 . 1 . 1 131 131 ILE CB C 13 38.47723 0.4 . 1 . . . . . 131 ILE CB . 52503 1 569 . 1 . 1 131 131 ILE N N 15 121.90014 0.2 . 1 . . . . . 131 ILE N . 52503 1 570 . 1 . 1 132 132 GLY H H 1 8.42235 0.04 . 1 . . . . . 132 GLY H . 52503 1 571 . 1 . 1 132 132 GLY C C 13 174.12573 0.4 . 1 . . . . . 132 GLY C . 52503 1 572 . 1 . 1 132 132 GLY CA C 13 45.23912 0.4 . 1 . . . . . 132 GLY CA . 52503 1 573 . 1 . 1 132 132 GLY N N 15 113.10064 0.2 . 1 . . . . . 132 GLY N . 52503 1 574 . 1 . 1 133 133 SER H H 1 8.07948 0.04 . 1 . . . . . 133 SER H . 52503 1 575 . 1 . 1 133 133 SER C C 13 174.80281 0.4 . 1 . . . . . 133 SER C . 52503 1 576 . 1 . 1 133 133 SER CA C 13 58.39291 0.4 . 1 . . . . . 133 SER CA . 52503 1 577 . 1 . 1 133 133 SER CB C 13 63.89249 0.4 . 1 . . . . . 133 SER CB . 52503 1 578 . 1 . 1 133 133 SER N N 15 115.4437 0.2 . 1 . . . . . 133 SER N . 52503 1 579 . 1 . 1 134 134 LEU H H 1 8.28507 0.04 . 1 . . . . . 134 LEU H . 52503 1 580 . 1 . 1 134 134 LEU C C 13 177.18624 0.4 . 1 . . . . . 134 LEU C . 52503 1 581 . 1 . 1 134 134 LEU CA C 13 55.35678 0.4 . 1 . . . . . 134 LEU CA . 52503 1 582 . 1 . 1 134 134 LEU CB C 13 42.05782 0.4 . 1 . . . . . 134 LEU CB . 52503 1 583 . 1 . 1 134 134 LEU N N 15 123.78701 0.2 . 1 . . . . . 134 LEU N . 52503 1 584 . 1 . 1 135 135 ASP H H 1 8.18306 0.04 . 1 . . . . . 135 ASP H . 52503 1 585 . 1 . 1 135 135 ASP C C 13 175.49565 0.4 . 1 . . . . . 135 ASP C . 52503 1 586 . 1 . 1 135 135 ASP CA C 13 53.99474 0.4 . 1 . . . . . 135 ASP CA . 52503 1 587 . 1 . 1 135 135 ASP CB C 13 39.9988 0.4 . 1 . . . . . 135 ASP CB . 52503 1 588 . 1 . 1 135 135 ASP N N 15 119.6637 0.2 . 1 . . . . . 135 ASP N . 52503 1 589 . 1 . 1 136 136 ASN H H 1 8.22498 0.04 . 1 . . . . . 136 ASN H . 52503 1 590 . 1 . 1 136 136 ASN C C 13 175.04721 0.4 . 1 . . . . . 136 ASN C . 52503 1 591 . 1 . 1 136 136 ASN CA C 13 53.30723 0.4 . 1 . . . . . 136 ASN CA . 52503 1 592 . 1 . 1 136 136 ASN CB C 13 38.66376 0.4 . 1 . . . . . 136 ASN CB . 52503 1 593 . 1 . 1 136 136 ASN N N 15 118.73611 0.2 . 1 . . . . . 136 ASN N . 52503 1 594 . 1 . 1 137 137 ILE H H 1 7.9196 0.04 . 1 . . . . . 137 ILE H . 52503 1 595 . 1 . 1 137 137 ILE C C 13 176.29265 0.4 . 1 . . . . . 137 ILE C . 52503 1 596 . 1 . 1 137 137 ILE CA C 13 61.2601 0.4 . 1 . . . . . 137 ILE CA . 52503 1 597 . 1 . 1 137 137 ILE CB C 13 38.61181 0.4 . 1 . . . . . 137 ILE CB . 52503 1 598 . 1 . 1 137 137 ILE N N 15 120.2908 0.2 . 1 . . . . . 137 ILE N . 52503 1 599 . 1 . 1 138 138 THR H H 1 8.10637 0.04 . 1 . . . . . 138 THR H . 52503 1 600 . 1 . 1 138 138 THR C C 13 174.12008 0.4 . 1 . . . . . 138 THR C . 52503 1 601 . 1 . 1 138 138 THR CA C 13 61.9729 0.4 . 1 . . . . . 138 THR CA . 52503 1 602 . 1 . 1 138 138 THR CB C 13 69.67836 0.4 . 1 . . . . . 138 THR CB . 52503 1 603 . 1 . 1 138 138 THR N N 15 117.52805 0.2 . 1 . . . . . 138 THR N . 52503 1 604 . 1 . 1 139 139 HIS H H 1 8.40486 0.04 . 1 . . . . . 139 HIS H . 52503 1 605 . 1 . 1 139 139 HIS C C 13 173.87865 0.4 . 1 . . . . . 139 HIS C . 52503 1 606 . 1 . 1 139 139 HIS CA C 13 55.02752 0.4 . 1 . . . . . 139 HIS CA . 52503 1 607 . 1 . 1 139 139 HIS CB C 13 28.92005 0.4 . 1 . . . . . 139 HIS CB . 52503 1 608 . 1 . 1 139 139 HIS N N 15 121.23128 0.2 . 1 . . . . . 139 HIS N . 52503 1 609 . 1 . 1 140 140 VAL H H 1 8.17081 0.04 . 1 . . . . . 140 VAL H . 52503 1 610 . 1 . 1 140 140 VAL C C 13 174.46438 0.4 . 1 . . . . . 140 VAL C . 52503 1 611 . 1 . 1 140 140 VAL CA C 13 59.92183 0.4 . 1 . . . . . 140 VAL CA . 52503 1 612 . 1 . 1 140 140 VAL CB C 13 32.47268 0.4 . 1 . . . . . 140 VAL CB . 52503 1 613 . 1 . 1 140 140 VAL N N 15 123.00958 0.2 . 1 . . . . . 140 VAL N . 52503 1 614 . 1 . 1 144 144 GLY H H 1 8.25533 0.04 . 1 . . . . . 144 GLY H . 52503 1 615 . 1 . 1 144 144 GLY C C 13 173.88936 0.4 . 1 . . . . . 144 GLY C . 52503 1 616 . 1 . 1 144 144 GLY CA C 13 45.18317 0.4 . 1 . . . . . 144 GLY CA . 52503 1 617 . 1 . 1 144 144 GLY N N 15 108.63076 0.2 . 1 . . . . . 144 GLY N . 52503 1 618 . 1 . 1 145 145 ASN H H 1 8.26827 0.04 . 1 . . . . . 145 ASN H . 52503 1 619 . 1 . 1 145 145 ASN C C 13 175.10002 0.4 . 1 . . . . . 145 ASN C . 52503 1 620 . 1 . 1 145 145 ASN CA C 13 53.17768 0.4 . 1 . . . . . 145 ASN CA . 52503 1 621 . 1 . 1 145 145 ASN CB C 13 38.8929 0.4 . 1 . . . . . 145 ASN CB . 52503 1 622 . 1 . 1 145 145 ASN N N 15 118.49535 0.2 . 1 . . . . . 145 ASN N . 52503 1 623 . 1 . 1 146 146 LYS H H 1 8.18518 0.04 . 1 . . . . . 146 LYS H . 52503 1 624 . 1 . 1 146 146 LYS C C 13 176.16991 0.4 . 1 . . . . . 146 LYS C . 52503 1 625 . 1 . 1 146 146 LYS CA C 13 56.24108 0.4 . 1 . . . . . 146 LYS CA . 52503 1 626 . 1 . 1 146 146 LYS CB C 13 33.00843 0.4 . 1 . . . . . 146 LYS CB . 52503 1 627 . 1 . 1 146 146 LYS N N 15 121.71325 0.2 . 1 . . . . . 146 LYS N . 52503 1 628 . 1 . 1 147 147 LYS H H 1 8.27237 0.04 . 1 . . . . . 147 LYS H . 52503 1 629 . 1 . 1 147 147 LYS C C 13 176.16914 0.4 . 1 . . . . . 147 LYS C . 52503 1 630 . 1 . 1 147 147 LYS CA C 13 56.30921 0.4 . 1 . . . . . 147 LYS CA . 52503 1 631 . 1 . 1 147 147 LYS CB C 13 32.97472 0.4 . 1 . . . . . 147 LYS CB . 52503 1 632 . 1 . 1 147 147 LYS N N 15 123.35796 0.2 . 1 . . . . . 147 LYS N . 52503 1 633 . 1 . 1 148 148 ILE H H 1 8.15514 0.04 . 1 . . . . . 148 ILE H . 52503 1 634 . 1 . 1 148 148 ILE C C 13 175.41092 0.4 . 1 . . . . . 148 ILE C . 52503 1 635 . 1 . 1 148 148 ILE CA C 13 61.11132 0.4 . 1 . . . . . 148 ILE CA . 52503 1 636 . 1 . 1 148 148 ILE CB C 13 38.53974 0.4 . 1 . . . . . 148 ILE CB . 52503 1 637 . 1 . 1 148 148 ILE N N 15 123.28231 0.2 . 1 . . . . . 148 ILE N . 52503 1 638 . 1 . 1 149 149 GLU H H 1 7.9752 0.04 . 1 . . . . . 149 GLU H . 52503 1 639 . 1 . 1 149 149 GLU C C 13 173.39179 0.4 . 1 . . . . . 149 GLU C . 52503 1 640 . 1 . 1 149 149 GLU CA C 13 56.9318 0.4 . 1 . . . . . 149 GLU CA . 52503 1 641 . 1 . 1 149 149 GLU CB C 13 29.93457 0.4 . 1 . . . . . 149 GLU CB . 52503 1 642 . 1 . 1 149 149 GLU N N 15 109.02808 0.2 . 1 . . . . . 149 GLU N . 52503 1 stop_ save_