data_27050 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27050 _Entry.Title ; Trypanosoma brucei brucei Tryparedoxin oxidized ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-18 _Entry.Accession_date 2017-03-18 _Entry.Last_release_date 2017-03-20 _Entry.Original_release_date 2017-03-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Annika Wagner . . . . 27050 2 Erika Diehl . A. . . 27050 3 Luise Krauth-Siegel . . . . 27050 4 Ute Hellmich . A. . . 27050 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27050 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 27050 '15N chemical shifts' 129 27050 '1H chemical shifts' 129 27050 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 . . 2018-03-14 . original BMRB . 27050 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27049 'Trypanosoma brucei brucei Tryparedoxin reduced' 27050 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27050 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28573456 _Citation.Full_citation . _Citation.Title ; Backbone NMR assignments of tryparedoxin, the central protein in the hydroperoxide detoxification cascade of African trypanosomes, in the oxidized and reduced form ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 193 _Citation.Page_last 196 _Citation.Year 2017 _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 Annika Wagner . . . . 27050 1 2 Erika Diehl . . . . 27050 1 3 'R. Luise' Krauth-Siegel . . . . 27050 1 4 Ute Hellmich . A. . . 27050 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27050 _Assembly.ID 1 _Assembly.Name Tryparedoxin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'Tpx monomer oxidized' 1 $Tryparedoxin A . yes native no no . . . 27050 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 43 43 SG . 1 . 1 CYS 46 46 SG . 'Tpx monomer' . 40 CYS SG . 'Tpx monomer' . 43 CYS SG 27050 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tryparedoxin _Entity.Sf_category entity _Entity.Sf_framecode Tryparedoxin _Entity.Entry_ID 27050 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tryparedoxin _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 ; GAMGSGLAKYLPGATNLLSK SGEVSLGSLVGKTVFLYFSA SWCPPCRGFTPVLAEFYEKH HVAKNFEVVLISWDENESDF HDYYGKMPWLALPFDQRSTV SELGKTFGVESIPTLITINA DTGAIIGTQARTRVIEDPDG ANFPWPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'native sequence starts at residue 3.' _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16076.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Member of the thioredoxin family. Involved in regulation of oxidative stress in Trypanosoma brucei.' 27050 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27050 1 2 . ALA . 27050 1 3 . MET . 27050 1 4 . GLY . 27050 1 5 . SER . 27050 1 6 . GLY . 27050 1 7 . LEU . 27050 1 8 . ALA . 27050 1 9 . LYS . 27050 1 10 . TYR . 27050 1 11 . LEU . 27050 1 12 . PRO . 27050 1 13 . GLY . 27050 1 14 . ALA . 27050 1 15 . THR . 27050 1 16 . ASN . 27050 1 17 . LEU . 27050 1 18 . LEU . 27050 1 19 . SER . 27050 1 20 . LYS . 27050 1 21 . SER . 27050 1 22 . GLY . 27050 1 23 . GLU . 27050 1 24 . VAL . 27050 1 25 . SER . 27050 1 26 . LEU . 27050 1 27 . GLY . 27050 1 28 . SER . 27050 1 29 . LEU . 27050 1 30 . VAL . 27050 1 31 . GLY . 27050 1 32 . LYS . 27050 1 33 . THR . 27050 1 34 . VAL . 27050 1 35 . PHE . 27050 1 36 . LEU . 27050 1 37 . TYR . 27050 1 38 . PHE . 27050 1 39 . SER . 27050 1 40 . ALA . 27050 1 41 . SER . 27050 1 42 . TRP . 27050 1 43 . CYS . 27050 1 44 . PRO . 27050 1 45 . PRO . 27050 1 46 . CYS . 27050 1 47 . ARG . 27050 1 48 . GLY . 27050 1 49 . PHE . 27050 1 50 . THR . 27050 1 51 . PRO . 27050 1 52 . VAL . 27050 1 53 . LEU . 27050 1 54 . ALA . 27050 1 55 . GLU . 27050 1 56 . PHE . 27050 1 57 . TYR . 27050 1 58 . GLU . 27050 1 59 . LYS . 27050 1 60 . HIS . 27050 1 61 . HIS . 27050 1 62 . VAL . 27050 1 63 . ALA . 27050 1 64 . LYS . 27050 1 65 . ASN . 27050 1 66 . PHE . 27050 1 67 . GLU . 27050 1 68 . VAL . 27050 1 69 . VAL . 27050 1 70 . LEU . 27050 1 71 . ILE . 27050 1 72 . SER . 27050 1 73 . TRP . 27050 1 74 . ASP . 27050 1 75 . GLU . 27050 1 76 . ASN . 27050 1 77 . GLU . 27050 1 78 . SER . 27050 1 79 . ASP . 27050 1 80 . PHE . 27050 1 81 . HIS . 27050 1 82 . ASP . 27050 1 83 . TYR . 27050 1 84 . TYR . 27050 1 85 . GLY . 27050 1 86 . LYS . 27050 1 87 . MET . 27050 1 88 . PRO . 27050 1 89 . TRP . 27050 1 90 . LEU . 27050 1 91 . ALA . 27050 1 92 . LEU . 27050 1 93 . PRO . 27050 1 94 . PHE . 27050 1 95 . ASP . 27050 1 96 . GLN . 27050 1 97 . ARG . 27050 1 98 . SER . 27050 1 99 . THR . 27050 1 100 . VAL . 27050 1 101 . SER . 27050 1 102 . GLU . 27050 1 103 . LEU . 27050 1 104 . GLY . 27050 1 105 . LYS . 27050 1 106 . THR . 27050 1 107 . PHE . 27050 1 108 . GLY . 27050 1 109 . VAL . 27050 1 110 . GLU . 27050 1 111 . SER . 27050 1 112 . ILE . 27050 1 113 . PRO . 27050 1 114 . THR . 27050 1 115 . LEU . 27050 1 116 . ILE . 27050 1 117 . THR . 27050 1 118 . ILE . 27050 1 119 . ASN . 27050 1 120 . ALA . 27050 1 121 . ASP . 27050 1 122 . THR . 27050 1 123 . GLY . 27050 1 124 . ALA . 27050 1 125 . ILE . 27050 1 126 . ILE . 27050 1 127 . GLY . 27050 1 128 . THR . 27050 1 129 . GLN . 27050 1 130 . ALA . 27050 1 131 . ARG . 27050 1 132 . THR . 27050 1 133 . ARG . 27050 1 134 . VAL . 27050 1 135 . ILE . 27050 1 136 . GLU . 27050 1 137 . ASP . 27050 1 138 . PRO . 27050 1 139 . ASP . 27050 1 140 . GLY . 27050 1 141 . ALA . 27050 1 142 . ASN . 27050 1 143 . PHE . 27050 1 144 . PRO . 27050 1 145 . TRP . 27050 1 146 . PRO . 27050 1 147 . ASN . 27050 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 27050 1 . ALA 2 2 27050 1 . MET 3 3 27050 1 . GLY 4 4 27050 1 . SER 5 5 27050 1 . GLY 6 6 27050 1 . LEU 7 7 27050 1 . ALA 8 8 27050 1 . LYS 9 9 27050 1 . TYR 10 10 27050 1 . LEU 11 11 27050 1 . PRO 12 12 27050 1 . GLY 13 13 27050 1 . ALA 14 14 27050 1 . THR 15 15 27050 1 . ASN 16 16 27050 1 . LEU 17 17 27050 1 . LEU 18 18 27050 1 . SER 19 19 27050 1 . LYS 20 20 27050 1 . SER 21 21 27050 1 . GLY 22 22 27050 1 . GLU 23 23 27050 1 . VAL 24 24 27050 1 . SER 25 25 27050 1 . LEU 26 26 27050 1 . GLY 27 27 27050 1 . SER 28 28 27050 1 . LEU 29 29 27050 1 . VAL 30 30 27050 1 . GLY 31 31 27050 1 . LYS 32 32 27050 1 . THR 33 33 27050 1 . VAL 34 34 27050 1 . PHE 35 35 27050 1 . LEU 36 36 27050 1 . TYR 37 37 27050 1 . PHE 38 38 27050 1 . SER 39 39 27050 1 . ALA 40 40 27050 1 . SER 41 41 27050 1 . TRP 42 42 27050 1 . CYS 43 43 27050 1 . PRO 44 44 27050 1 . PRO 45 45 27050 1 . CYS 46 46 27050 1 . ARG 47 47 27050 1 . GLY 48 48 27050 1 . PHE 49 49 27050 1 . THR 50 50 27050 1 . PRO 51 51 27050 1 . VAL 52 52 27050 1 . LEU 53 53 27050 1 . ALA 54 54 27050 1 . GLU 55 55 27050 1 . PHE 56 56 27050 1 . TYR 57 57 27050 1 . GLU 58 58 27050 1 . LYS 59 59 27050 1 . HIS 60 60 27050 1 . HIS 61 61 27050 1 . VAL 62 62 27050 1 . ALA 63 63 27050 1 . LYS 64 64 27050 1 . ASN 65 65 27050 1 . PHE 66 66 27050 1 . GLU 67 67 27050 1 . VAL 68 68 27050 1 . VAL 69 69 27050 1 . LEU 70 70 27050 1 . ILE 71 71 27050 1 . SER 72 72 27050 1 . TRP 73 73 27050 1 . ASP 74 74 27050 1 . GLU 75 75 27050 1 . ASN 76 76 27050 1 . GLU 77 77 27050 1 . SER 78 78 27050 1 . ASP 79 79 27050 1 . PHE 80 80 27050 1 . HIS 81 81 27050 1 . ASP 82 82 27050 1 . TYR 83 83 27050 1 . TYR 84 84 27050 1 . GLY 85 85 27050 1 . LYS 86 86 27050 1 . MET 87 87 27050 1 . PRO 88 88 27050 1 . TRP 89 89 27050 1 . LEU 90 90 27050 1 . ALA 91 91 27050 1 . LEU 92 92 27050 1 . PRO 93 93 27050 1 . PHE 94 94 27050 1 . ASP 95 95 27050 1 . GLN 96 96 27050 1 . ARG 97 97 27050 1 . SER 98 98 27050 1 . THR 99 99 27050 1 . VAL 100 100 27050 1 . SER 101 101 27050 1 . GLU 102 102 27050 1 . LEU 103 103 27050 1 . GLY 104 104 27050 1 . LYS 105 105 27050 1 . THR 106 106 27050 1 . PHE 107 107 27050 1 . GLY 108 108 27050 1 . VAL 109 109 27050 1 . GLU 110 110 27050 1 . SER 111 111 27050 1 . ILE 112 112 27050 1 . PRO 113 113 27050 1 . THR 114 114 27050 1 . LEU 115 115 27050 1 . ILE 116 116 27050 1 . THR 117 117 27050 1 . ILE 118 118 27050 1 . ASN 119 119 27050 1 . ALA 120 120 27050 1 . ASP 121 121 27050 1 . THR 122 122 27050 1 . GLY 123 123 27050 1 . ALA 124 124 27050 1 . ILE 125 125 27050 1 . ILE 126 126 27050 1 . GLY 127 127 27050 1 . THR 128 128 27050 1 . GLN 129 129 27050 1 . ALA 130 130 27050 1 . ARG 131 131 27050 1 . THR 132 132 27050 1 . ARG 133 133 27050 1 . VAL 134 134 27050 1 . ILE 135 135 27050 1 . GLU 136 136 27050 1 . ASP 137 137 27050 1 . PRO 138 138 27050 1 . ASP 139 139 27050 1 . GLY 140 140 27050 1 . ALA 141 141 27050 1 . ASN 142 142 27050 1 . PHE 143 143 27050 1 . PRO 144 144 27050 1 . TRP 145 145 27050 1 . PRO 146 146 27050 1 . ASN 147 147 27050 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27050 _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 $Tryparedoxin . 5691 organism . 'Trypanosoma brucei brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 27050 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27050 _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 $Tryparedoxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-Gold(DE3) . . . . . pETtrx_1b . . . 27050 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_U-15N-Tpx _Sample.Sf_category sample _Sample.Sf_framecode U-15N-Tpx _Sample.Entry_ID 27050 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tryparedoxin [U-15N] . . 1 $Tryparedoxin . . 475 . . uM . . . . 27050 1 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 27050 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27050 1 stop_ save_ save_15N-Lys-Tpx _Sample.Sf_category sample _Sample.Sf_framecode 15N-Lys-Tpx _Sample.Entry_ID 27050 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tryparedoxin [U-15N]-Lys . . 1 $Tryparedoxin . . 153 . . uM . . . . 27050 2 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 27050 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27050 2 stop_ save_ save_15N-Arg-Tpx _Sample.Sf_category sample _Sample.Sf_framecode 15N-Arg-Tpx _Sample.Entry_ID 27050 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tryparedoxin [U-15N]-Arg . . 1 $Tryparedoxin . . 300 . . uM . . . . 27050 3 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 27050 3 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27050 3 stop_ save_ save_15N-Trp-Tpx _Sample.Sf_category sample _Sample.Sf_framecode 15N-Trp-Tpx _Sample.Entry_ID 27050 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tryparedoxin [U-15N]-Trp . . 1 $Tryparedoxin . . 338 . . uM . . . . 27050 4 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 27050 4 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27050 4 stop_ save_ save_U-13C-15N-Tpx _Sample.Sf_category sample _Sample.Sf_framecode U-13C-15N-Tpx _Sample.Entry_ID 27050 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tryparedoxin '[U-13C; U-15N]' . . 1 $Tryparedoxin . . 348 . . uM . . . . 27050 5 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 27050 5 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27050 5 stop_ save_ save_13C-15N-Pro-Tpx _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N-Pro-Tpx _Sample.Entry_ID 27050 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tryparedoxin '[U-13C; U-15N]-Pro' . . 1 $Tryparedoxin . . 338 . . uM . . . . 27050 6 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 27050 6 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27050 6 stop_ save_ save_15N-Cys-Tpx _Sample.Sf_category sample _Sample.Sf_framecode 15N-Cys-Tpx _Sample.Entry_ID 27050 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tryparedoxin [U-15N]-Cys . . 1 $Tryparedoxin . . 214 . . uM . . . . 27050 7 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 27050 7 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27050 7 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 27050 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 . mM 27050 1 pH 7.5 . pH 27050 1 pressure 1 . atm 27050 1 temperature 298 . K 27050 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27050 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 'TopSpin 3.5pl5' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27050 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27050 1 processing 27050 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27050 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27050 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27050 2 'peak picking' 27050 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27050 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27050 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27050 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27050 1 2 spectrometer_2 Bruker Avance . 800 . . . 27050 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27050 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $U-15N-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 2 '3D HNCO' no . . . . . . . . . . 5 $U-13C-15N-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 3 '3D HNCA' no . . . . . . . . . . 5 $U-13C-15N-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 4 '3D HNCACB' no . . . . . . . . . . 5 $U-13C-15N-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 5 '3D HN(CO)CA' no . . . . . . . . . . 5 $U-13C-15N-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N-Lys-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N-Arg-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $15N-Trp-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $15N-Cys-Tpx isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27050 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27050 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.2514502 . . . . . 27050 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27050 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013 . . . . . 27050 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27050 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 27050 1 2 '3D HNCO' . . . 27050 1 3 '3D HNCA' . . . 27050 1 4 '3D HNCACB' . . . 27050 1 5 '3D HN(CO)CA' . . . 27050 1 6 '2D 1H-15N HSQC' . . . 27050 1 7 '2D 1H-15N HSQC' . . . 27050 1 8 '2D 1H-15N HSQC' . . . 27050 1 9 '2D 1H-15N HSQC' . . . 27050 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 5 5 SER C C 13 175.591 0.3 . 1 . . . . . 5 SER C . 27050 1 2 . 1 1 5 5 SER CA C 13 58.114 0.3 . 1 . . . . . 5 SER CA . 27050 1 3 . 1 1 5 5 SER CB C 13 64.387 0.3 . 1 . . . . . 5 SER CB . 27050 1 4 . 1 1 6 6 GLY H H 1 8.293 0.020 . 1 . . . . . 6 GLY H . 27050 1 5 . 1 1 6 6 GLY C C 13 174.801 0.3 . 1 . . . . . 6 GLY C . 27050 1 6 . 1 1 6 6 GLY CA C 13 46.409 0.3 . 1 . . . . . 6 GLY CA . 27050 1 7 . 1 1 6 6 GLY N N 15 112.610 0.3 . 1 . . . . . 6 GLY N . 27050 1 8 . 1 1 7 7 LEU H H 1 8.263 0.020 . 1 . . . . . 7 LEU H . 27050 1 9 . 1 1 7 7 LEU C C 13 177.712 0.3 . 1 . . . . . 7 LEU C . 27050 1 10 . 1 1 7 7 LEU CA C 13 56.813 0.3 . 1 . . . . . 7 LEU CA . 27050 1 11 . 1 1 7 7 LEU CB C 13 42.277 0.3 . 1 . . . . . 7 LEU CB . 27050 1 12 . 1 1 7 7 LEU N N 15 120.468 0.3 . 1 . . . . . 7 LEU N . 27050 1 13 . 1 1 8 8 ALA H H 1 7.748 0.020 . 1 . . . . . 8 ALA H . 27050 1 14 . 1 1 8 8 ALA C C 13 178.367 0.3 . 1 . . . . . 8 ALA C . 27050 1 15 . 1 1 8 8 ALA CA C 13 53.983 0.3 . 1 . . . . . 8 ALA CA . 27050 1 16 . 1 1 8 8 ALA CB C 13 17.872 0.3 . 1 . . . . . 8 ALA CB . 27050 1 17 . 1 1 8 8 ALA N N 15 119.670 0.3 . 1 . . . . . 8 ALA N . 27050 1 18 . 1 1 9 9 LYS H H 1 7.248 0.020 . 1 . . . . . 9 LYS H . 27050 1 19 . 1 1 9 9 LYS C C 13 177.105 0.3 . 1 . . . . . 9 LYS C . 27050 1 20 . 1 1 9 9 LYS CA C 13 58.190 0.3 . 1 . . . . . 9 LYS CA . 27050 1 21 . 1 1 9 9 LYS CB C 13 31.949 0.3 . 1 . . . . . 9 LYS CB . 27050 1 22 . 1 1 9 9 LYS N N 15 116.228 0.3 . 1 . . . . . 9 LYS N . 27050 1 23 . 1 1 10 10 TYR H H 1 7.326 0.020 . 1 . . . . . 10 TYR H . 27050 1 24 . 1 1 10 10 TYR C C 13 174.190 0.3 . 1 . . . . . 10 TYR C . 27050 1 25 . 1 1 10 10 TYR CA C 13 57.655 0.3 . 1 . . . . . 10 TYR CA . 27050 1 26 . 1 1 10 10 TYR CB C 13 39.676 0.3 . 1 . . . . . 10 TYR CB . 27050 1 27 . 1 1 10 10 TYR N N 15 115.332 0.3 . 1 . . . . . 10 TYR N . 27050 1 28 . 1 1 11 11 LEU H H 1 7.490 0.020 . 1 . . . . . 11 LEU H . 27050 1 29 . 1 1 11 11 LEU C C 13 173.114 0.3 . 1 . . . . . 11 LEU C . 27050 1 30 . 1 1 11 11 LEU CA C 13 51.229 0.3 . 1 . . . . . 11 LEU CA . 27050 1 31 . 1 1 11 11 LEU CB C 13 42.507 0.3 . 1 . . . . . 11 LEU CB . 27050 1 32 . 1 1 11 11 LEU N N 15 117.671 0.3 . 1 . . . . . 11 LEU N . 27050 1 33 . 1 1 13 13 GLY C C 13 174.084 0.3 . 1 . . . . . 13 GLY C . 27050 1 34 . 1 1 13 13 GLY CA C 13 45.991 0.3 . 1 . . . . . 13 GLY CA . 27050 1 35 . 1 1 14 14 ALA H H 1 7.904 0.020 . 1 . . . . . 14 ALA H . 27050 1 36 . 1 1 14 14 ALA C C 13 177.002 0.3 . 1 . . . . . 14 ALA C . 27050 1 37 . 1 1 14 14 ALA CA C 13 51.821 0.3 . 1 . . . . . 14 ALA CA . 27050 1 38 . 1 1 14 14 ALA CB C 13 18.528 0.3 . 1 . . . . . 14 ALA CB . 27050 1 39 . 1 1 14 14 ALA N N 15 122.144 0.3 . 1 . . . . . 14 ALA N . 27050 1 40 . 1 1 15 15 THR H H 1 7.999 0.020 . 1 . . . . . 15 THR H . 27050 1 41 . 1 1 15 15 THR C C 13 173.603 0.3 . 1 . . . . . 15 THR C . 27050 1 42 . 1 1 15 15 THR CA C 13 63.087 0.3 . 1 . . . . . 15 THR CA . 27050 1 43 . 1 1 15 15 THR CB C 13 69.896 0.3 . 1 . . . . . 15 THR CB . 27050 1 44 . 1 1 15 15 THR N N 15 114.440 0.3 . 1 . . . . . 15 THR N . 27050 1 45 . 1 1 16 16 ASN H H 1 8.132 0.020 . 1 . . . . . 16 ASN H . 27050 1 46 . 1 1 16 16 ASN C C 13 174.264 0.3 . 1 . . . . . 16 ASN C . 27050 1 47 . 1 1 16 16 ASN CA C 13 52.070 0.3 . 1 . . . . . 16 ASN CA . 27050 1 48 . 1 1 16 16 ASN CB C 13 40.747 0.3 . 1 . . . . . 16 ASN CB . 27050 1 49 . 1 1 16 16 ASN N N 15 121.458 0.3 . 1 . . . . . 16 ASN N . 27050 1 50 . 1 1 17 17 LEU H H 1 8.940 0.020 . 1 . . . . . 17 LEU H . 27050 1 51 . 1 1 17 17 LEU C C 13 176.658 0.3 . 1 . . . . . 17 LEU C . 27050 1 52 . 1 1 17 17 LEU CA C 13 52.835 0.3 . 1 . . . . . 17 LEU CA . 27050 1 53 . 1 1 17 17 LEU CB C 13 43.718 0.3 . 1 . . . . . 17 LEU CB . 27050 1 54 . 1 1 17 17 LEU N N 15 117.852 0.3 . 1 . . . . . 17 LEU N . 27050 1 55 . 1 1 18 18 LEU H H 1 9.088 0.020 . 1 . . . . . 18 LEU H . 27050 1 56 . 1 1 18 18 LEU C C 13 175.584 0.3 . 1 . . . . . 18 LEU C . 27050 1 57 . 1 1 18 18 LEU CA C 13 55.207 0.3 . 1 . . . . . 18 LEU CA . 27050 1 58 . 1 1 18 18 LEU CB C 13 42.890 0.3 . 1 . . . . . 18 LEU CB . 27050 1 59 . 1 1 18 18 LEU N N 15 119.201 0.3 . 1 . . . . . 18 LEU N . 27050 1 60 . 1 1 19 19 SER H H 1 7.947 0.020 . 1 . . . . . 19 SER H . 27050 1 61 . 1 1 19 19 SER C C 13 175.462 0.3 . 1 . . . . . 19 SER C . 27050 1 62 . 1 1 19 19 SER CA C 13 56.584 0.3 . 1 . . . . . 19 SER CA . 27050 1 63 . 1 1 19 19 SER CB C 13 68.519 0.3 . 1 . . . . . 19 SER CB . 27050 1 64 . 1 1 19 19 SER N N 15 115.301 0.3 . 1 . . . . . 19 SER N . 27050 1 65 . 1 1 20 20 LYS H H 1 8.843 0.020 . 1 . . . . . 20 LYS H . 27050 1 66 . 1 1 20 20 LYS C C 13 177.736 0.3 . 1 . . . . . 20 LYS C . 27050 1 67 . 1 1 20 20 LYS CA C 13 56.890 0.3 . 1 . . . . . 20 LYS CA . 27050 1 68 . 1 1 20 20 LYS CB C 13 30.802 0.3 . 1 . . . . . 20 LYS CB . 27050 1 69 . 1 1 20 20 LYS N N 15 117.948 0.3 . 1 . . . . . 20 LYS N . 27050 1 70 . 1 1 21 21 SER H H 1 8.182 0.020 . 1 . . . . . 21 SER H . 27050 1 71 . 1 1 21 21 SER C C 13 173.652 0.3 . 1 . . . . . 21 SER C . 27050 1 72 . 1 1 21 21 SER CA C 13 57.126 0.3 . 1 . . . . . 21 SER CA . 27050 1 73 . 1 1 21 21 SER CB C 13 63.594 0.3 . 1 . . . . . 21 SER CB . 27050 1 74 . 1 1 21 21 SER N N 15 112.234 0.3 . 1 . . . . . 21 SER N . 27050 1 75 . 1 1 22 22 GLY H H 1 7.459 0.020 . 1 . . . . . 22 GLY H . 27050 1 76 . 1 1 22 22 GLY C C 13 173.334 0.3 . 1 . . . . . 22 GLY C . 27050 1 77 . 1 1 22 22 GLY CA C 13 44.802 0.3 . 1 . . . . . 22 GLY CA . 27050 1 78 . 1 1 22 22 GLY N N 15 110.932 0.3 . 1 . . . . . 22 GLY N . 27050 1 79 . 1 1 23 23 GLU H H 1 8.507 0.020 . 1 . . . . . 23 GLU H . 27050 1 80 . 1 1 23 23 GLU C C 13 176.856 0.3 . 1 . . . . . 23 GLU C . 27050 1 81 . 1 1 23 23 GLU CA C 13 56.354 0.3 . 1 . . . . . 23 GLU CA . 27050 1 82 . 1 1 23 23 GLU CB C 13 32.102 0.3 . 1 . . . . . 23 GLU CB . 27050 1 83 . 1 1 23 23 GLU N N 15 122.230 0.3 . 1 . . . . . 23 GLU N . 27050 1 84 . 1 1 24 24 VAL H H 1 9.070 0.020 . 1 . . . . . 24 VAL H . 27050 1 85 . 1 1 24 24 VAL C C 13 174.337 0.3 . 1 . . . . . 24 VAL C . 27050 1 86 . 1 1 24 24 VAL CA C 13 59.568 0.3 . 1 . . . . . 24 VAL CA . 27050 1 87 . 1 1 24 24 VAL CB C 13 35.622 0.3 . 1 . . . . . 24 VAL CB . 27050 1 88 . 1 1 24 24 VAL N N 15 117.088 0.3 . 1 . . . . . 24 VAL N . 27050 1 89 . 1 1 25 25 SER H H 1 8.569 0.020 . 1 . . . . . 25 SER H . 27050 1 90 . 1 1 25 25 SER C C 13 177.198 0.3 . 1 . . . . . 25 SER C . 27050 1 91 . 1 1 25 25 SER CA C 13 57.043 0.3 . 1 . . . . . 25 SER CA . 27050 1 92 . 1 1 25 25 SER CB C 13 64.770 0.3 . 1 . . . . . 25 SER CB . 27050 1 93 . 1 1 25 25 SER N N 15 117.778 0.3 . 1 . . . . . 25 SER N . 27050 1 94 . 1 1 26 26 LEU H H 1 8.867 0.020 . 1 . . . . . 26 LEU H . 27050 1 95 . 1 1 26 26 LEU C C 13 179.717 0.3 . 1 . . . . . 26 LEU C . 27050 1 96 . 1 1 26 26 LEU CA C 13 58.190 0.3 . 1 . . . . . 26 LEU CA . 27050 1 97 . 1 1 26 26 LEU CB C 13 40.977 0.3 . 1 . . . . . 26 LEU CB . 27050 1 98 . 1 1 26 26 LEU N N 15 124.853 0.3 . 1 . . . . . 26 LEU N . 27050 1 99 . 1 1 27 27 GLY C C 13 175.679 0.3 . 1 . . . . . 27 GLY C . 27050 1 100 . 1 1 27 27 GLY CA C 13 46.316 0.3 . 1 . . . . . 27 GLY CA . 27050 1 101 . 1 1 28 28 SER H H 1 7.738 0.020 . 1 . . . . . 28 SER H . 27050 1 102 . 1 1 28 28 SER C C 13 175.168 0.3 . 1 . . . . . 28 SER C . 27050 1 103 . 1 1 28 28 SER CA C 13 60.485 0.3 . 1 . . . . . 28 SER CA . 27050 1 104 . 1 1 28 28 SER CB C 13 63.301 0.3 . 1 . . . . . 28 SER CB . 27050 1 105 . 1 1 28 28 SER N N 15 115.946 0.3 . 1 . . . . . 28 SER N . 27050 1 106 . 1 1 29 29 LEU H H 1 7.498 0.020 . 1 . . . . . 29 LEU H . 27050 1 107 . 1 1 29 29 LEU C C 13 174.215 0.3 . 1 . . . . . 29 LEU C . 27050 1 108 . 1 1 29 29 LEU CA C 13 54.595 0.3 . 1 . . . . . 29 LEU CA . 27050 1 109 . 1 1 29 29 LEU CB C 13 40.594 0.3 . 1 . . . . . 29 LEU CB . 27050 1 110 . 1 1 29 29 LEU N N 15 121.522 0.3 . 1 . . . . . 29 LEU N . 27050 1 111 . 1 1 30 30 VAL H H 1 6.740 0.020 . 1 . . . . . 30 VAL H . 27050 1 112 . 1 1 30 30 VAL C C 13 177.028 0.3 . 1 . . . . . 30 VAL C . 27050 1 113 . 1 1 30 30 VAL CA C 13 63.087 0.3 . 1 . . . . . 30 VAL CA . 27050 1 114 . 1 1 30 30 VAL CB C 13 31.873 0.3 . 1 . . . . . 30 VAL CB . 27050 1 115 . 1 1 30 30 VAL N N 15 115.882 0.3 . 1 . . . . . 30 VAL N . 27050 1 116 . 1 1 31 31 GLY H H 1 9.869 0.020 . 1 . . . . . 31 GLY H . 27050 1 117 . 1 1 31 31 GLY C C 13 174.728 0.3 . 1 . . . . . 31 GLY C . 27050 1 118 . 1 1 31 31 GLY CA C 13 45.644 0.3 . 1 . . . . . 31 GLY CA . 27050 1 119 . 1 1 31 31 GLY N N 15 116.589 0.3 . 1 . . . . . 31 GLY N . 27050 1 120 . 1 1 32 32 LYS H H 1 7.662 0.020 . 1 . . . . . 32 LYS H . 27050 1 121 . 1 1 32 32 LYS C C 13 177.809 0.3 . 1 . . . . . 32 LYS C . 27050 1 122 . 1 1 32 32 LYS CA C 13 56.278 0.3 . 1 . . . . . 32 LYS CA . 27050 1 123 . 1 1 32 32 LYS CB C 13 34.091 0.3 . 1 . . . . . 32 LYS CB . 27050 1 124 . 1 1 32 32 LYS N N 15 117.462 0.3 . 1 . . . . . 32 LYS N . 27050 1 125 . 1 1 33 33 THR H H 1 7.709 0.020 . 1 . . . . . 33 THR H . 27050 1 126 . 1 1 33 33 THR C C 13 173.261 0.3 . 1 . . . . . 33 THR C . 27050 1 127 . 1 1 33 33 THR CA C 13 64.005 0.3 . 1 . . . . . 33 THR CA . 27050 1 128 . 1 1 33 33 THR CB C 13 68.672 0.3 . 1 . . . . . 33 THR CB . 27050 1 129 . 1 1 33 33 THR N N 15 118.292 0.3 . 1 . . . . . 33 THR N . 27050 1 130 . 1 1 34 34 VAL H H 1 9.328 0.020 . 1 . . . . . 34 VAL H . 27050 1 131 . 1 1 34 34 VAL C C 13 173.774 0.3 . 1 . . . . . 34 VAL C . 27050 1 132 . 1 1 34 34 VAL CA C 13 60.639 0.3 . 1 . . . . . 34 VAL CA . 27050 1 133 . 1 1 34 34 VAL CB C 13 34.780 0.3 . 1 . . . . . 34 VAL CB . 27050 1 134 . 1 1 34 34 VAL N N 15 126.892 0.3 . 1 . . . . . 34 VAL N . 27050 1 135 . 1 1 35 35 PHE H H 1 9.073 0.020 . 1 . . . . . 35 PHE H . 27050 1 136 . 1 1 35 35 PHE C C 13 175.560 0.3 . 1 . . . . . 35 PHE C . 27050 1 137 . 1 1 35 35 PHE CA C 13 55.666 0.3 . 1 . . . . . 35 PHE CA . 27050 1 138 . 1 1 35 35 PHE CB C 13 40.747 0.3 . 1 . . . . . 35 PHE CB . 27050 1 139 . 1 1 35 35 PHE N N 15 124.289 0.3 . 1 . . . . . 35 PHE N . 27050 1 140 . 1 1 36 36 LEU H H 1 9.460 0.020 . 1 . . . . . 36 LEU H . 27050 1 141 . 1 1 36 36 LEU C C 13 174.875 0.3 . 1 . . . . . 36 LEU C . 27050 1 142 . 1 1 36 36 LEU CA C 13 53.600 0.3 . 1 . . . . . 36 LEU CA . 27050 1 143 . 1 1 36 36 LEU CB C 13 41.818 0.3 . 1 . . . . . 36 LEU CB . 27050 1 144 . 1 1 36 36 LEU N N 15 123.871 0.3 . 1 . . . . . 36 LEU N . 27050 1 145 . 1 1 37 37 TYR H H 1 8.857 0.020 . 1 . . . . . 37 TYR H . 27050 1 146 . 1 1 37 37 TYR C C 13 172.600 0.3 . 1 . . . . . 37 TYR C . 27050 1 147 . 1 1 37 37 TYR CA C 13 52.963 0.3 . 1 . . . . . 37 TYR CA . 27050 1 148 . 1 1 37 37 TYR CB C 13 38.758 0.3 . 1 . . . . . 37 TYR CB . 27050 1 149 . 1 1 37 37 TYR N N 15 125.395 0.3 . 1 . . . . . 37 TYR N . 27050 1 150 . 1 1 38 38 PHE H H 1 8.987 0.020 . 1 . . . . . 38 PHE H . 27050 1 151 . 1 1 38 38 PHE C C 13 174.312 0.3 . 1 . . . . . 38 PHE C . 27050 1 152 . 1 1 38 38 PHE CA C 13 56.048 0.3 . 1 . . . . . 38 PHE CA . 27050 1 153 . 1 1 38 38 PHE CB C 13 39.217 0.3 . 1 . . . . . 38 PHE CB . 27050 1 154 . 1 1 38 38 PHE N N 15 129.705 0.3 . 1 . . . . . 38 PHE N . 27050 1 155 . 1 1 39 39 SER H H 1 7.420 0.020 . 1 . . . . . 39 SER H . 27050 1 156 . 1 1 39 39 SER C C 13 171.378 0.3 . 1 . . . . . 39 SER C . 27050 1 157 . 1 1 39 39 SER CA C 13 56.737 0.3 . 1 . . . . . 39 SER CA . 27050 1 158 . 1 1 39 39 SER CB C 13 65.382 0.3 . 1 . . . . . 39 SER CB . 27050 1 159 . 1 1 39 39 SER N N 15 113.442 0.3 . 1 . . . . . 39 SER N . 27050 1 160 . 1 1 40 40 ALA H H 1 6.778 0.020 . 1 . . . . . 40 ALA H . 27050 1 161 . 1 1 40 40 ALA C C 13 176.367 0.3 . 1 . . . . . 40 ALA C . 27050 1 162 . 1 1 40 40 ALA CA C 13 51.764 0.3 . 1 . . . . . 40 ALA CA . 27050 1 163 . 1 1 40 40 ALA CB C 13 22.463 0.3 . 1 . . . . . 40 ALA CB . 27050 1 164 . 1 1 40 40 ALA N N 15 119.250 0.3 . 1 . . . . . 40 ALA N . 27050 1 165 . 1 1 41 41 SER H H 1 9.854 0.020 . 1 . . . . . 41 SER H . 27050 1 166 . 1 1 41 41 SER C C 13 174.581 0.3 . 1 . . . . . 41 SER C . 27050 1 167 . 1 1 41 41 SER CA C 13 60.715 0.3 . 1 . . . . . 41 SER CA . 27050 1 168 . 1 1 41 41 SER CB C 13 62.934 0.3 . 1 . . . . . 41 SER CB . 27050 1 169 . 1 1 41 41 SER N N 15 119.803 0.3 . 1 . . . . . 41 SER N . 27050 1 170 . 1 1 42 42 TRP H H 1 6.364 0.020 . 1 . . . . . 42 TRP H . 27050 1 171 . 1 1 42 42 TRP C C 13 174.948 0.3 . 1 . . . . . 42 TRP C . 27050 1 172 . 1 1 42 42 TRP CA C 13 54.059 0.3 . 1 . . . . . 42 TRP CA . 27050 1 173 . 1 1 42 42 TRP CB C 13 29.501 0.3 . 1 . . . . . 42 TRP CB . 27050 1 174 . 1 1 42 42 TRP N N 15 115.953 0.3 . 1 . . . . . 42 TRP N . 27050 1 175 . 1 1 43 43 CYS H H 1 6.414 0.020 . 1 . . . . . 43 CYS H . 27050 1 176 . 1 1 43 43 CYS C C 13 172.650 0.3 . 1 . . . . . 43 CYS C . 27050 1 177 . 1 1 43 43 CYS CA C 13 51.611 0.3 . 1 . . . . . 43 CYS CA . 27050 1 178 . 1 1 43 43 CYS CB C 13 44.726 0.3 . 1 . . . . . 43 CYS CB . 27050 1 179 . 1 1 43 43 CYS N N 15 123.313 0.3 . 1 . . . . . 43 CYS N . 27050 1 180 . 1 1 45 45 PRO C C 13 179.936 0.3 . 1 . . . . . 45 PRO C . 27050 1 181 . 1 1 45 45 PRO CA C 13 65.458 0.3 . 1 . . . . . 45 PRO CA . 27050 1 182 . 1 1 45 45 PRO CB C 13 30.266 0.3 . 1 . . . . . 45 PRO CB . 27050 1 183 . 1 1 46 46 CYS H H 1 8.342 0.020 . 1 . . . . . 46 CYS H . 27050 1 184 . 1 1 46 46 CYS C C 13 175.706 0.3 . 1 . . . . . 46 CYS C . 27050 1 185 . 1 1 46 46 CYS CA C 13 63.852 0.3 . 1 . . . . . 46 CYS CA . 27050 1 186 . 1 1 46 46 CYS CB C 13 33.020 0.3 . 1 . . . . . 46 CYS CB . 27050 1 187 . 1 1 46 46 CYS N N 15 115.571 0.3 . 1 . . . . . 46 CYS N . 27050 1 188 . 1 1 47 47 ARG H H 1 8.018 0.020 . 1 . . . . . 47 ARG H . 27050 1 189 . 1 1 47 47 ARG C C 13 179.448 0.3 . 1 . . . . . 47 ARG C . 27050 1 190 . 1 1 47 47 ARG CA C 13 59.269 0.3 . 1 . . . . . 47 ARG CA . 27050 1 191 . 1 1 47 47 ARG CB C 13 29.953 0.3 . 1 . . . . . 47 ARG CB . 27050 1 192 . 1 1 47 47 ARG N N 15 120.145 0.3 . 1 . . . . . 47 ARG N . 27050 1 193 . 1 1 48 48 GLY H H 1 7.583 0.020 . 1 . . . . . 48 GLY H . 27050 1 194 . 1 1 48 48 GLY C C 13 174.801 0.3 . 1 . . . . . 48 GLY C . 27050 1 195 . 1 1 48 48 GLY CA C 13 46.026 0.3 . 1 . . . . . 48 GLY CA . 27050 1 196 . 1 1 48 48 GLY N N 15 102.562 0.3 . 1 . . . . . 48 GLY N . 27050 1 197 . 1 1 49 49 PHE H H 1 7.772 0.020 . 1 . . . . . 49 PHE H . 27050 1 198 . 1 1 49 49 PHE C C 13 176.244 0.3 . 1 . . . . . 49 PHE C . 27050 1 199 . 1 1 49 49 PHE CA C 13 59.721 0.3 . 1 . . . . . 49 PHE CA . 27050 1 200 . 1 1 49 49 PHE CB C 13 40.594 0.3 . 1 . . . . . 49 PHE CB . 27050 1 201 . 1 1 49 49 PHE N N 15 121.041 0.3 . 1 . . . . . 49 PHE N . 27050 1 202 . 1 1 50 50 THR H H 1 8.587 0.020 . 1 . . . . . 50 THR H . 27050 1 203 . 1 1 50 50 THR CA C 13 69.437 0.3 . 1 . . . . . 50 THR CA . 27050 1 204 . 1 1 50 50 THR CB C 13 68.213 0.3 . 1 . . . . . 50 THR CB . 27050 1 205 . 1 1 50 50 THR N N 15 116.539 0.3 . 1 . . . . . 50 THR N . 27050 1 206 . 1 1 51 51 PRO C C 13 179.060 0.3 . 1 . . . . . 51 PRO C . 27050 1 207 . 1 1 51 51 PRO CA C 13 65.734 0.3 . 1 . . . . . 51 PRO CA . 27050 1 208 . 1 1 51 51 PRO CB C 13 31.644 0.3 . 1 . . . . . 51 PRO CB . 27050 1 209 . 1 1 52 52 VAL H H 1 6.809 0.020 . 1 . . . . . 52 VAL H . 27050 1 210 . 1 1 52 52 VAL C C 13 179.179 0.3 . 1 . . . . . 52 VAL C . 27050 1 211 . 1 1 52 52 VAL CA C 13 65.535 0.3 . 1 . . . . . 52 VAL CA . 27050 1 212 . 1 1 52 52 VAL CB C 13 31.184 0.3 . 1 . . . . . 52 VAL CB . 27050 1 213 . 1 1 52 52 VAL N N 15 120.594 0.3 . 1 . . . . . 52 VAL N . 27050 1 214 . 1 1 53 53 LEU H H 1 7.384 0.020 . 1 . . . . . 53 LEU H . 27050 1 215 . 1 1 53 53 LEU C C 13 178.543 0.3 . 1 . . . . . 53 LEU C . 27050 1 216 . 1 1 53 53 LEU CA C 13 56.660 0.3 . 1 . . . . . 53 LEU CA . 27050 1 217 . 1 1 53 53 LEU CB C 13 40.135 0.3 . 1 . . . . . 53 LEU CB . 27050 1 218 . 1 1 53 53 LEU N N 15 122.073 0.3 . 1 . . . . . 53 LEU N . 27050 1 219 . 1 1 54 54 ALA H H 1 9.054 0.020 . 1 . . . . . 54 ALA H . 27050 1 220 . 1 1 54 54 ALA C C 13 178.812 0.3 . 1 . . . . . 54 ALA C . 27050 1 221 . 1 1 54 54 ALA CA C 13 56.354 0.3 . 1 . . . . . 54 ALA CA . 27050 1 222 . 1 1 54 54 ALA CB C 13 17.184 0.3 . 1 . . . . . 54 ALA CB . 27050 1 223 . 1 1 54 54 ALA N N 15 121.893 0.3 . 1 . . . . . 54 ALA N . 27050 1 224 . 1 1 55 55 GLU H H 1 7.756 0.020 . 1 . . . . . 55 GLU H . 27050 1 225 . 1 1 55 55 GLU C C 13 177.981 0.3 . 1 . . . . . 55 GLU C . 27050 1 226 . 1 1 55 55 GLU CA C 13 59.644 0.3 . 1 . . . . . 55 GLU CA . 27050 1 227 . 1 1 55 55 GLU CB C 13 29.348 0.3 . 1 . . . . . 55 GLU CB . 27050 1 228 . 1 1 55 55 GLU N N 15 120.285 0.3 . 1 . . . . . 55 GLU N . 27050 1 229 . 1 1 56 56 PHE H H 1 7.615 0.020 . 1 . . . . . 56 PHE H . 27050 1 230 . 1 1 56 56 PHE C C 13 177.369 0.3 . 1 . . . . . 56 PHE C . 27050 1 231 . 1 1 56 56 PHE CA C 13 61.557 0.3 . 1 . . . . . 56 PHE CA . 27050 1 232 . 1 1 56 56 PHE CB C 13 39.676 0.3 . 1 . . . . . 56 PHE CB . 27050 1 233 . 1 1 56 56 PHE N N 15 120.562 0.3 . 1 . . . . . 56 PHE N . 27050 1 234 . 1 1 57 57 TYR H H 1 9.437 0.020 . 1 . . . . . 57 TYR H . 27050 1 235 . 1 1 57 57 TYR C C 13 178.372 0.3 . 1 . . . . . 57 TYR C . 27050 1 236 . 1 1 57 57 TYR CA C 13 61.863 0.3 . 1 . . . . . 57 TYR CA . 27050 1 237 . 1 1 57 57 TYR CB C 13 40.059 0.3 . 1 . . . . . 57 TYR CB . 27050 1 238 . 1 1 57 57 TYR N N 15 119.304 0.3 . 1 . . . . . 57 TYR N . 27050 1 239 . 1 1 58 58 GLU H H 1 9.187 0.020 . 1 . . . . . 58 GLU H . 27050 1 240 . 1 1 58 58 GLU C C 13 179.179 0.3 . 1 . . . . . 58 GLU C . 27050 1 241 . 1 1 58 58 GLU CA C 13 59.644 0.3 . 1 . . . . . 58 GLU CA . 27050 1 242 . 1 1 58 58 GLU CB C 13 29.272 0.3 . 1 . . . . . 58 GLU CB . 27050 1 243 . 1 1 58 58 GLU N N 15 121.590 0.3 . 1 . . . . . 58 GLU N . 27050 1 244 . 1 1 59 59 LYS H H 1 7.724 0.020 . 1 . . . . . 59 LYS H . 27050 1 245 . 1 1 59 59 LYS C C 13 179.288 0.3 . 1 . . . . . 59 LYS C . 27050 1 246 . 1 1 59 59 LYS CA C 13 59.148 0.3 . 1 . . . . . 59 LYS CA . 27050 1 247 . 1 1 59 59 LYS CB C 13 32.778 0.3 . 1 . . . . . 59 LYS CB . 27050 1 248 . 1 1 59 59 LYS N N 15 116.088 0.3 . 1 . . . . . 59 LYS N . 27050 1 249 . 1 1 60 60 HIS H H 1 7.611 0.020 . 1 . . . . . 60 HIS H . 27050 1 250 . 1 1 60 60 HIS C C 13 176.684 0.3 . 1 . . . . . 60 HIS C . 27050 1 251 . 1 1 60 60 HIS CA C 13 57.043 0.3 . 1 . . . . . 60 HIS CA . 27050 1 252 . 1 1 60 60 HIS CB C 13 33.938 0.3 . 1 . . . . . 60 HIS CB . 27050 1 253 . 1 1 60 60 HIS N N 15 111.481 0.3 . 1 . . . . . 60 HIS N . 27050 1 254 . 1 1 61 61 HIS H H 1 8.543 0.020 . 1 . . . . . 61 HIS H . 27050 1 255 . 1 1 61 61 HIS C C 13 175.144 0.3 . 1 . . . . . 61 HIS C . 27050 1 256 . 1 1 61 61 HIS CA C 13 59.491 0.3 . 1 . . . . . 61 HIS CA . 27050 1 257 . 1 1 61 61 HIS CB C 13 25.293 0.3 . 1 . . . . . 61 HIS CB . 27050 1 258 . 1 1 61 61 HIS N N 15 118.471 0.3 . 1 . . . . . 61 HIS N . 27050 1 259 . 1 1 62 62 VAL H H 1 6.778 0.020 . 1 . . . . . 62 VAL H . 27050 1 260 . 1 1 62 62 VAL C C 13 179.032 0.3 . 1 . . . . . 62 VAL C . 27050 1 261 . 1 1 62 62 VAL CA C 13 65.076 0.3 . 1 . . . . . 62 VAL CA . 27050 1 262 . 1 1 62 62 VAL CB C 13 30.802 0.3 . 1 . . . . . 62 VAL CB . 27050 1 263 . 1 1 62 62 VAL N N 15 118.704 0.3 . 1 . . . . . 62 VAL N . 27050 1 264 . 1 1 63 63 ALA H H 1 8.328 0.020 . 1 . . . . . 63 ALA H . 27050 1 265 . 1 1 63 63 ALA C C 13 179.790 0.3 . 1 . . . . . 63 ALA C . 27050 1 266 . 1 1 63 63 ALA CA C 13 55.207 0.3 . 1 . . . . . 63 ALA CA . 27050 1 267 . 1 1 63 63 ALA CB C 13 18.791 0.3 . 1 . . . . . 63 ALA CB . 27050 1 268 . 1 1 63 63 ALA N N 15 123.786 0.3 . 1 . . . . . 63 ALA N . 27050 1 269 . 1 1 64 64 LYS H H 1 8.272 0.020 . 1 . . . . . 64 LYS H . 27050 1 270 . 1 1 64 64 LYS C C 13 174.802 0.3 . 1 . . . . . 64 LYS C . 27050 1 271 . 1 1 64 64 LYS CA C 13 55.895 0.3 . 1 . . . . . 64 LYS CA . 27050 1 272 . 1 1 64 64 LYS CB C 13 31.108 0.3 . 1 . . . . . 64 LYS CB . 27050 1 273 . 1 1 64 64 LYS N N 15 112.169 0.3 . 1 . . . . . 64 LYS N . 27050 1 274 . 1 1 65 65 ASN H H 1 7.185 0.020 . 1 . . . . . 65 ASN H . 27050 1 275 . 1 1 65 65 ASN C C 13 173.041 0.3 . 1 . . . . . 65 ASN C . 27050 1 276 . 1 1 65 65 ASN CA C 13 53.524 0.3 . 1 . . . . . 65 ASN CA . 27050 1 277 . 1 1 65 65 ASN CB C 13 37.764 0.3 . 1 . . . . . 65 ASN CB . 27050 1 278 . 1 1 65 65 ASN N N 15 119.322 0.3 . 1 . . . . . 65 ASN N . 27050 1 279 . 1 1 66 66 PHE H H 1 8.374 0.020 . 1 . . . . . 66 PHE H . 27050 1 280 . 1 1 66 66 PHE C C 13 173.051 0.3 . 1 . . . . . 66 PHE C . 27050 1 281 . 1 1 66 66 PHE CA C 13 54.671 0.3 . 1 . . . . . 66 PHE CA . 27050 1 282 . 1 1 66 66 PHE CB C 13 43.884 0.3 . 1 . . . . . 66 PHE CB . 27050 1 283 . 1 1 66 66 PHE N N 15 113.270 0.3 . 1 . . . . . 66 PHE N . 27050 1 284 . 1 1 67 67 GLU H H 1 8.902 0.020 . 1 . . . . . 67 GLU H . 27050 1 285 . 1 1 67 67 GLU C C 13 174.312 0.3 . 1 . . . . . 67 GLU C . 27050 1 286 . 1 1 67 67 GLU CA C 13 52.912 0.3 . 1 . . . . . 67 GLU CA . 27050 1 287 . 1 1 67 67 GLU CB C 13 36.111 0.3 . 1 . . . . . 67 GLU CB . 27050 1 288 . 1 1 67 67 GLU N N 15 118.841 0.3 . 1 . . . . . 67 GLU N . 27050 1 289 . 1 1 68 68 VAL H H 1 9.353 0.020 . 1 . . . . . 68 VAL H . 27050 1 290 . 1 1 68 68 VAL C C 13 172.919 0.3 . 1 . . . . . 68 VAL C . 27050 1 291 . 1 1 68 68 VAL CA C 13 60.562 0.3 . 1 . . . . . 68 VAL CA . 27050 1 292 . 1 1 68 68 VAL CB C 13 34.015 0.3 . 1 . . . . . 68 VAL CB . 27050 1 293 . 1 1 68 68 VAL N N 15 125.306 0.3 . 1 . . . . . 68 VAL N . 27050 1 294 . 1 1 69 69 VAL H H 1 8.770 0.020 . 1 . . . . . 69 VAL H . 27050 1 295 . 1 1 69 69 VAL C C 13 174.875 0.3 . 1 . . . . . 69 VAL C . 27050 1 296 . 1 1 69 69 VAL CA C 13 60.023 0.3 . 1 . . . . . 69 VAL CA . 27050 1 297 . 1 1 69 69 VAL CB C 13 34.168 0.3 . 1 . . . . . 69 VAL CB . 27050 1 298 . 1 1 69 69 VAL N N 15 124.833 0.3 . 1 . . . . . 69 VAL N . 27050 1 299 . 1 1 70 70 LEU H H 1 9.210 0.020 . 1 . . . . . 70 LEU H . 27050 1 300 . 1 1 70 70 LEU C C 13 173.481 0.3 . 1 . . . . . 70 LEU C . 27050 1 301 . 1 1 70 70 LEU CA C 13 55.819 0.3 . 1 . . . . . 70 LEU CA . 27050 1 302 . 1 1 70 70 LEU CB C 13 43.349 0.3 . 1 . . . . . 70 LEU CB . 27050 1 303 . 1 1 70 70 LEU N N 15 129.105 0.3 . 1 . . . . . 70 LEU N . 27050 1 304 . 1 1 71 71 ILE H H 1 8.845 0.020 . 1 . . . . . 71 ILE H . 27050 1 305 . 1 1 71 71 ILE C C 13 174.215 0.3 . 1 . . . . . 71 ILE C . 27050 1 306 . 1 1 71 71 ILE CA C 13 58.059 0.3 . 1 . . . . . 71 ILE CA . 27050 1 307 . 1 1 71 71 ILE CB C 13 35.239 0.3 . 1 . . . . . 71 ILE CB . 27050 1 308 . 1 1 71 71 ILE N N 15 131.140 0.3 . 1 . . . . . 71 ILE N . 27050 1 309 . 1 1 72 72 SER H H 1 8.964 0.020 . 1 . . . . . 72 SER H . 27050 1 310 . 1 1 72 72 SER C C 13 177.394 0.3 . 1 . . . . . 72 SER C . 27050 1 311 . 1 1 72 72 SER CA C 13 58.267 0.3 . 1 . . . . . 72 SER CA . 27050 1 312 . 1 1 72 72 SER CB C 13 64.999 0.3 . 1 . . . . . 72 SER CB . 27050 1 313 . 1 1 72 72 SER N N 15 116.989 0.3 . 1 . . . . . 72 SER N . 27050 1 314 . 1 1 73 73 TRP H H 1 8.770 0.020 . 1 . . . . . 73 TRP H . 27050 1 315 . 1 1 73 73 TRP C C 13 176.929 0.3 . 1 . . . . . 73 TRP C . 27050 1 316 . 1 1 73 73 TRP CA C 13 55.298 0.3 . 1 . . . . . 73 TRP CA . 27050 1 317 . 1 1 73 73 TRP CB C 13 29.348 0.3 . 1 . . . . . 73 TRP CB . 27050 1 318 . 1 1 73 73 TRP N N 15 127.203 0.3 . 1 . . . . . 73 TRP N . 27050 1 319 . 1 1 74 74 ASP H H 1 9.501 0.020 . 1 . . . . . 74 ASP H . 27050 1 320 . 1 1 74 74 ASP C C 13 175.095 0.3 . 1 . . . . . 74 ASP C . 27050 1 321 . 1 1 74 74 ASP CA C 13 58.190 0.3 . 1 . . . . . 74 ASP CA . 27050 1 322 . 1 1 74 74 ASP CB C 13 41.895 0.3 . 1 . . . . . 74 ASP CB . 27050 1 323 . 1 1 74 74 ASP N N 15 122.466 0.3 . 1 . . . . . 74 ASP N . 27050 1 324 . 1 1 75 75 GLU H H 1 9.503 0.020 . 1 . . . . . 75 GLU H . 27050 1 325 . 1 1 75 75 GLU C C 13 175.975 0.3 . 1 . . . . . 75 GLU C . 27050 1 326 . 1 1 75 75 GLU CA C 13 56.966 0.3 . 1 . . . . . 75 GLU CA . 27050 1 327 . 1 1 75 75 GLU CB C 13 31.021 0.3 . 1 . . . . . 75 GLU CB . 27050 1 328 . 1 1 75 75 GLU N N 15 117.702 0.3 . 1 . . . . . 75 GLU N . 27050 1 329 . 1 1 76 76 ASN H H 1 7.534 0.020 . 1 . . . . . 76 ASN H . 27050 1 330 . 1 1 76 76 ASN C C 13 174.068 0.3 . 1 . . . . . 76 ASN C . 27050 1 331 . 1 1 76 76 ASN CA C 13 51.917 0.3 . 1 . . . . . 76 ASN CA . 27050 1 332 . 1 1 76 76 ASN CB C 13 40.824 0.3 . 1 . . . . . 76 ASN CB . 27050 1 333 . 1 1 76 76 ASN N N 15 113.959 0.3 . 1 . . . . . 76 ASN N . 27050 1 334 . 1 1 77 77 GLU H H 1 8.802 0.020 . 1 . . . . . 77 GLU H . 27050 1 335 . 1 1 77 77 GLU C C 13 177.051 0.3 . 1 . . . . . 77 GLU C . 27050 1 336 . 1 1 77 77 GLU CA C 13 59.207 0.3 . 1 . . . . . 77 GLU CA . 27050 1 337 . 1 1 77 77 GLU CB C 13 29.526 0.3 . 1 . . . . . 77 GLU CB . 27050 1 338 . 1 1 77 77 GLU N N 15 124.747 0.3 . 1 . . . . . 77 GLU N . 27050 1 339 . 1 1 78 78 SER H H 1 8.163 0.020 . 1 . . . . . 78 SER H . 27050 1 340 . 1 1 78 78 SER C C 13 177.223 0.3 . 1 . . . . . 78 SER C . 27050 1 341 . 1 1 78 78 SER CA C 13 61.718 0.3 . 1 . . . . . 78 SER CA . 27050 1 342 . 1 1 78 78 SER N N 15 115.436 0.3 . 1 . . . . . 78 SER N . 27050 1 343 . 1 1 79 79 ASP H H 1 8.090 0.020 . 1 . . . . . 79 ASP H . 27050 1 344 . 1 1 79 79 ASP C C 13 178.421 0.3 . 1 . . . . . 79 ASP C . 27050 1 345 . 1 1 79 79 ASP CA C 13 57.196 0.3 . 1 . . . . . 79 ASP CA . 27050 1 346 . 1 1 79 79 ASP CB C 13 40.059 0.3 . 1 . . . . . 79 ASP CB . 27050 1 347 . 1 1 79 79 ASP N N 15 122.448 0.3 . 1 . . . . . 79 ASP N . 27050 1 348 . 1 1 80 80 PHE H H 1 7.740 0.020 . 1 . . . . . 80 PHE H . 27050 1 349 . 1 1 80 80 PHE C C 13 176.709 0.3 . 1 . . . . . 80 PHE C . 27050 1 350 . 1 1 80 80 PHE CA C 13 61.480 0.3 . 1 . . . . . 80 PHE CA . 27050 1 351 . 1 1 80 80 PHE CB C 13 38.835 0.3 . 1 . . . . . 80 PHE CB . 27050 1 352 . 1 1 80 80 PHE N N 15 119.080 0.3 . 1 . . . . . 80 PHE N . 27050 1 353 . 1 1 81 81 HIS H H 1 8.392 0.020 . 1 . . . . . 81 HIS H . 27050 1 354 . 1 1 81 81 HIS C C 13 179.399 0.3 . 1 . . . . . 81 HIS C . 27050 1 355 . 1 1 81 81 HIS CA C 13 60.639 0.3 . 1 . . . . . 81 HIS CA . 27050 1 356 . 1 1 81 81 HIS CB C 13 30.266 0.3 . 1 . . . . . 81 HIS CB . 27050 1 357 . 1 1 81 81 HIS N N 15 118.463 0.3 . 1 . . . . . 81 HIS N . 27050 1 358 . 1 1 82 82 ASP H H 1 8.280 0.020 . 1 . . . . . 82 ASP H . 27050 1 359 . 1 1 82 82 ASP C C 13 177.834 0.3 . 1 . . . . . 82 ASP C . 27050 1 360 . 1 1 82 82 ASP CA C 13 57.272 0.3 . 1 . . . . . 82 ASP CA . 27050 1 361 . 1 1 82 82 ASP CB C 13 41.206 0.3 . 1 . . . . . 82 ASP CB . 27050 1 362 . 1 1 82 82 ASP N N 15 121.311 0.3 . 1 . . . . . 82 ASP N . 27050 1 363 . 1 1 83 83 TYR H H 1 8.045 0.020 . 1 . . . . . 83 TYR H . 27050 1 364 . 1 1 83 83 TYR C C 13 178.201 0.3 . 1 . . . . . 83 TYR C . 27050 1 365 . 1 1 83 83 TYR CA C 13 58.956 0.3 . 1 . . . . . 83 TYR CA . 27050 1 366 . 1 1 83 83 TYR CB C 13 38.911 0.3 . 1 . . . . . 83 TYR CB . 27050 1 367 . 1 1 83 83 TYR N N 15 120.080 0.3 . 1 . . . . . 83 TYR N . 27050 1 368 . 1 1 84 84 TYR H H 1 8.663 0.020 . 1 . . . . . 84 TYR H . 27050 1 369 . 1 1 84 84 TYR C C 13 178.344 0.3 . 1 . . . . . 84 TYR C . 27050 1 370 . 1 1 84 84 TYR CA C 13 58.649 0.3 . 1 . . . . . 84 TYR CA . 27050 1 371 . 1 1 84 84 TYR CB C 13 36.999 0.3 . 1 . . . . . 84 TYR CB . 27050 1 372 . 1 1 84 84 TYR N N 15 118.703 0.3 . 1 . . . . . 84 TYR N . 27050 1 373 . 1 1 85 85 GLY H H 1 7.677 0.020 . 1 . . . . . 85 GLY H . 27050 1 374 . 1 1 85 85 GLY C C 13 174.312 0.3 . 1 . . . . . 85 GLY C . 27050 1 375 . 1 1 85 85 GLY CA C 13 46.256 0.3 . 1 . . . . . 85 GLY CA . 27050 1 376 . 1 1 85 85 GLY N N 15 105.361 0.3 . 1 . . . . . 85 GLY N . 27050 1 377 . 1 1 86 86 LYS H H 1 6.846 0.020 . 1 . . . . . 86 LYS H . 27050 1 378 . 1 1 86 86 LYS C C 13 176.049 0.3 . 1 . . . . . 86 LYS C . 27050 1 379 . 1 1 86 86 LYS CA C 13 55.513 0.3 . 1 . . . . . 86 LYS CA . 27050 1 380 . 1 1 86 86 LYS CB C 13 32.179 0.3 . 1 . . . . . 86 LYS CB . 27050 1 381 . 1 1 86 86 LYS N N 15 117.089 0.3 . 1 . . . . . 86 LYS N . 27050 1 382 . 1 1 87 87 MET H H 1 7.412 0.020 . 1 . . . . . 87 MET H . 27050 1 383 . 1 1 87 87 MET C C 13 174.875 0.3 . 1 . . . . . 87 MET C . 27050 1 384 . 1 1 87 87 MET CA C 13 52.376 0.3 . 1 . . . . . 87 MET CA . 27050 1 385 . 1 1 87 87 MET CB C 13 31.643 0.3 . 1 . . . . . 87 MET CB . 27050 1 386 . 1 1 87 87 MET N N 15 118.224 0.3 . 1 . . . . . 87 MET N . 27050 1 387 . 1 1 88 88 PRO C C 13 175.223 0.3 . 1 . . . . . 88 PRO C . 27050 1 388 . 1 1 89 89 TRP H H 1 5.292 0.020 . 1 . . . . . 89 TRP H . 27050 1 389 . 1 1 89 89 TRP C C 13 174.239 0.3 . 1 . . . . . 89 TRP C . 27050 1 390 . 1 1 89 89 TRP CA C 13 55.530 0.3 . 1 . . . . . 89 TRP CA . 27050 1 391 . 1 1 89 89 TRP CB C 13 27.046 0.3 . 1 . . . . . 89 TRP CB . 27050 1 392 . 1 1 89 89 TRP N N 15 117.525 0.3 . 1 . . . . . 89 TRP N . 27050 1 393 . 1 1 90 90 LEU H H 1 8.455 0.020 . 1 . . . . . 90 LEU H . 27050 1 394 . 1 1 90 90 LEU C C 13 178.054 0.3 . 1 . . . . . 90 LEU C . 27050 1 395 . 1 1 90 90 LEU CA C 13 55.054 0.3 . 1 . . . . . 90 LEU CA . 27050 1 396 . 1 1 90 90 LEU CB C 13 44.649 0.3 . 1 . . . . . 90 LEU CB . 27050 1 397 . 1 1 90 90 LEU N N 15 121.113 0.3 . 1 . . . . . 90 LEU N . 27050 1 398 . 1 1 91 91 ALA H H 1 8.601 0.020 . 1 . . . . . 91 ALA H . 27050 1 399 . 1 1 91 91 ALA C C 13 175.609 0.3 . 1 . . . . . 91 ALA C . 27050 1 400 . 1 1 91 91 ALA CA C 13 51.763 0.3 . 1 . . . . . 91 ALA CA . 27050 1 401 . 1 1 91 91 ALA CB C 13 21.198 0.3 . 1 . . . . . 91 ALA CB . 27050 1 402 . 1 1 91 91 ALA N N 15 118.537 0.3 . 1 . . . . . 91 ALA N . 27050 1 403 . 1 1 92 92 LEU H H 1 8.159 0.020 . 1 . . . . . 92 LEU H . 27050 1 404 . 1 1 92 92 LEU C C 13 174.019 0.3 . 1 . . . . . 92 LEU C . 27050 1 405 . 1 1 92 92 LEU CA C 13 52.479 0.3 . 1 . . . . . 92 LEU CA . 27050 1 406 . 1 1 92 92 LEU CB C 13 43.119 0.3 . 1 . . . . . 92 LEU CB . 27050 1 407 . 1 1 92 92 LEU N N 15 125.666 0.3 . 1 . . . . . 92 LEU N . 27050 1 408 . 1 1 93 93 PRO C C 13 177.203 0.3 . 1 . . . . . 93 PRO C . 27050 1 409 . 1 1 93 93 PRO CA C 13 63.775 0.3 . 1 . . . . . 93 PRO CA . 27050 1 410 . 1 1 93 93 PRO CB C 13 32.408 0.3 . 1 . . . . . 93 PRO CB . 27050 1 411 . 1 1 94 94 PHE H H 1 7.943 0.020 . 1 . . . . . 94 PHE H . 27050 1 412 . 1 1 94 94 PHE C C 13 174.777 0.3 . 1 . . . . . 94 PHE C . 27050 1 413 . 1 1 94 94 PHE CA C 13 61.560 0.3 . 1 . . . . . 94 PHE CA . 27050 1 414 . 1 1 94 94 PHE CB C 13 38.602 0.3 . 1 . . . . . 94 PHE CB . 27050 1 415 . 1 1 94 94 PHE N N 15 125.242 0.3 . 1 . . . . . 94 PHE N . 27050 1 416 . 1 1 95 95 ASP H H 1 8.147 0.020 . 1 . . . . . 95 ASP H . 27050 1 417 . 1 1 95 95 ASP C C 13 177.540 0.3 . 1 . . . . . 95 ASP C . 27050 1 418 . 1 1 95 95 ASP CA C 13 54.977 0.3 . 1 . . . . . 95 ASP CA . 27050 1 419 . 1 1 95 95 ASP CB C 13 39.370 0.3 . 1 . . . . . 95 ASP CB . 27050 1 420 . 1 1 95 95 ASP N N 15 112.238 0.3 . 1 . . . . . 95 ASP N . 27050 1 421 . 1 1 96 96 GLN H H 1 7.240 0.020 . 1 . . . . . 96 GLN H . 27050 1 422 . 1 1 96 96 GLN C C 13 177.222 0.3 . 1 . . . . . 96 GLN C . 27050 1 423 . 1 1 96 96 GLN CA C 13 53.830 0.3 . 1 . . . . . 96 GLN CA . 27050 1 424 . 1 1 96 96 GLN CB C 13 25.829 0.3 . 1 . . . . . 96 GLN CB . 27050 1 425 . 1 1 96 96 GLN N N 15 121.662 0.3 . 1 . . . . . 96 GLN N . 27050 1 426 . 1 1 97 97 ARG H H 1 7.545 0.020 . 1 . . . . . 97 ARG H . 27050 1 427 . 1 1 97 97 ARG C C 13 179.839 0.3 . 1 . . . . . 97 ARG C . 27050 1 428 . 1 1 97 97 ARG CA C 13 58.573 0.3 . 1 . . . . . 97 ARG CA . 27050 1 429 . 1 1 97 97 ARG CB C 13 31.720 0.3 . 1 . . . . . 97 ARG CB . 27050 1 430 . 1 1 97 97 ARG N N 15 122.279 0.3 . 1 . . . . . 97 ARG N . 27050 1 431 . 1 1 98 98 SER C C 13 176.958 0.3 . 1 . . . . . 98 SER C . 27050 1 432 . 1 1 98 98 SER CA C 13 65.793 0.3 . 1 . . . . . 98 SER CA . 27050 1 433 . 1 1 98 98 SER CB C 13 68.612 0.3 . 1 . . . . . 98 SER CB . 27050 1 434 . 1 1 99 99 THR H H 1 7.637 0.020 . 1 . . . . . 99 THR H . 27050 1 435 . 1 1 99 99 THR C C 13 175.399 0.3 . 1 . . . . . 99 THR C . 27050 1 436 . 1 1 99 99 THR CA C 13 65.992 0.3 . 1 . . . . . 99 THR CA . 27050 1 437 . 1 1 99 99 THR CB C 13 68.436 0.3 . 1 . . . . . 99 THR CB . 27050 1 438 . 1 1 99 99 THR N N 15 118.987 0.3 . 1 . . . . . 99 THR N . 27050 1 439 . 1 1 100 100 VAL H H 1 7.318 0.020 . 1 . . . . . 100 VAL H . 27050 1 440 . 1 1 100 100 VAL C C 13 179.081 0.3 . 1 . . . . . 100 VAL C . 27050 1 441 . 1 1 100 100 VAL CA C 13 67.983 0.3 . 1 . . . . . 100 VAL CA . 27050 1 442 . 1 1 100 100 VAL CB C 13 31.490 0.3 . 1 . . . . . 100 VAL CB . 27050 1 443 . 1 1 100 100 VAL N N 15 120.905 0.3 . 1 . . . . . 100 VAL N . 27050 1 444 . 1 1 101 101 SER H H 1 7.615 0.020 . 1 . . . . . 101 SER H . 27050 1 445 . 1 1 101 101 SER C C 13 177.431 0.3 . 1 . . . . . 101 SER C . 27050 1 446 . 1 1 101 101 SER CA C 13 61.327 0.3 . 1 . . . . . 101 SER CA . 27050 1 447 . 1 1 101 101 SER CB C 13 62.322 0.3 . 1 . . . . . 101 SER CB . 27050 1 448 . 1 1 101 101 SER N N 15 115.265 0.3 . 1 . . . . . 101 SER N . 27050 1 449 . 1 1 102 102 GLU H H 1 8.131 0.020 . 1 . . . . . 102 GLU H . 27050 1 450 . 1 1 102 102 GLU C C 13 179.448 0.3 . 1 . . . . . 102 GLU C . 27050 1 451 . 1 1 102 102 GLU CA C 13 59.338 0.3 . 1 . . . . . 102 GLU CA . 27050 1 452 . 1 1 102 102 GLU CB C 13 29.348 0.3 . 1 . . . . . 102 GLU CB . 27050 1 453 . 1 1 102 102 GLU N N 15 122.518 0.3 . 1 . . . . . 102 GLU N . 27050 1 454 . 1 1 103 103 LEU H H 1 8.857 0.020 . 1 . . . . . 103 LEU H . 27050 1 455 . 1 1 103 103 LEU C C 13 179.358 0.3 . 1 . . . . . 103 LEU C . 27050 1 456 . 1 1 103 103 LEU CA C 13 57.884 0.3 . 1 . . . . . 103 LEU CA . 27050 1 457 . 1 1 103 103 LEU CB C 13 43.119 0.3 . 1 . . . . . 103 LEU CB . 27050 1 458 . 1 1 103 103 LEU N N 15 120.811 0.3 . 1 . . . . . 103 LEU N . 27050 1 459 . 1 1 104 104 GLY H H 1 8.100 0.020 . 1 . . . . . 104 GLY H . 27050 1 460 . 1 1 104 104 GLY C C 13 176.440 0.3 . 1 . . . . . 104 GLY C . 27050 1 461 . 1 1 104 104 GLY CA C 13 47.709 0.3 . 1 . . . . . 104 GLY CA . 27050 1 462 . 1 1 104 104 GLY N N 15 104.881 0.3 . 1 . . . . . 104 GLY N . 27050 1 463 . 1 1 105 105 LYS H H 1 7.576 0.020 . 1 . . . . . 105 LYS H . 27050 1 464 . 1 1 105 105 LYS C C 13 179.546 0.3 . 1 . . . . . 105 LYS C . 27050 1 465 . 1 1 105 105 LYS CA C 13 58.879 0.3 . 1 . . . . . 105 LYS CA . 27050 1 466 . 1 1 105 105 LYS CB C 13 32.179 0.3 . 1 . . . . . 105 LYS CB . 27050 1 467 . 1 1 105 105 LYS N N 15 120.836 0.3 . 1 . . . . . 105 LYS N . 27050 1 468 . 1 1 106 106 THR H H 1 8.595 0.020 . 1 . . . . . 106 THR H . 27050 1 469 . 1 1 106 106 THR C C 13 175.609 0.3 . 1 . . . . . 106 THR C . 27050 1 470 . 1 1 106 106 THR CA C 13 66.571 0.3 . 1 . . . . . 106 THR CA . 27050 1 471 . 1 1 106 106 THR CB C 13 68.714 0.3 . 1 . . . . . 106 THR CB . 27050 1 472 . 1 1 106 106 THR N N 15 118.597 0.3 . 1 . . . . . 106 THR N . 27050 1 473 . 1 1 107 107 PHE H H 1 7.748 0.020 . 1 . . . . . 107 PHE H . 27050 1 474 . 1 1 107 107 PHE C C 13 174.973 0.3 . 1 . . . . . 107 PHE C . 27050 1 475 . 1 1 107 107 PHE CA C 13 57.502 0.3 . 1 . . . . . 107 PHE CA . 27050 1 476 . 1 1 107 107 PHE CB C 13 39.447 0.3 . 1 . . . . . 107 PHE CB . 27050 1 477 . 1 1 107 107 PHE N N 15 114.507 0.3 . 1 . . . . . 107 PHE N . 27050 1 478 . 1 1 108 108 GLY H H 1 7.556 0.020 . 1 . . . . . 108 GLY H . 27050 1 479 . 1 1 108 108 GLY C C 13 175.048 0.3 . 1 . . . . . 108 GLY C . 27050 1 480 . 1 1 108 108 GLY CA C 13 47.327 0.3 . 1 . . . . . 108 GLY CA . 27050 1 481 . 1 1 108 108 GLY N N 15 111.482 0.3 . 1 . . . . . 108 GLY N . 27050 1 482 . 1 1 109 109 VAL H H 1 8.382 0.020 . 1 . . . . . 109 VAL H . 27050 1 483 . 1 1 109 109 VAL C C 13 175.066 0.3 . 1 . . . . . 109 VAL C . 27050 1 484 . 1 1 109 109 VAL CA C 13 63.240 0.3 . 1 . . . . . 109 VAL CA . 27050 1 485 . 1 1 109 109 VAL CB C 13 30.725 0.3 . 1 . . . . . 109 VAL CB . 27050 1 486 . 1 1 109 109 VAL N N 15 120.017 0.3 . 1 . . . . . 109 VAL N . 27050 1 487 . 1 1 110 110 GLU H H 1 8.447 0.020 . 1 . . . . . 110 GLU H . 27050 1 488 . 1 1 110 110 GLU C C 13 175.853 0.3 . 1 . . . . . 110 GLU C . 27050 1 489 . 1 1 110 110 GLU CA C 13 55.902 0.3 . 1 . . . . . 110 GLU CA . 27050 1 490 . 1 1 110 110 GLU CB C 13 31.342 0.3 . 1 . . . . . 110 GLU CB . 27050 1 491 . 1 1 110 110 GLU N N 15 126.448 0.3 . 1 . . . . . 110 GLU N . 27050 1 492 . 1 1 111 111 SER H H 1 7.678 0.020 . 1 . . . . . 111 SER H . 27050 1 493 . 1 1 111 111 SER C C 13 171.378 0.3 . 1 . . . . . 111 SER C . 27050 1 494 . 1 1 111 111 SER CA C 13 56.431 0.3 . 1 . . . . . 111 SER CA . 27050 1 495 . 1 1 111 111 SER CB C 13 65.229 0.3 . 1 . . . . . 111 SER CB . 27050 1 496 . 1 1 111 111 SER N N 15 112.926 0.3 . 1 . . . . . 111 SER N . 27050 1 497 . 1 1 112 112 ILE H H 1 7.897 0.020 . 1 . . . . . 112 ILE H . 27050 1 498 . 1 1 112 112 ILE C C 13 172.063 0.3 . 1 . . . . . 112 ILE C . 27050 1 499 . 1 1 112 112 ILE CA C 13 58.190 0.3 . 1 . . . . . 112 ILE CA . 27050 1 500 . 1 1 112 112 ILE CB C 13 40.365 0.3 . 1 . . . . . 112 ILE CB . 27050 1 501 . 1 1 112 112 ILE N N 15 113.613 0.3 . 1 . . . . . 112 ILE N . 27050 1 502 . 1 1 113 113 PRO C C 13 175.749 0.3 . 1 . . . . . 113 PRO C . 27050 1 503 . 1 1 113 113 PRO CA C 13 61.327 0.3 . 1 . . . . . 113 PRO CA . 27050 1 504 . 1 1 113 113 PRO CB C 13 36.387 0.3 . 1 . . . . . 113 PRO CB . 27050 1 505 . 1 1 114 114 THR H H 1 8.069 0.020 . 1 . . . . . 114 THR H . 27050 1 506 . 1 1 114 114 THR C C 13 171.769 0.3 . 1 . . . . . 114 THR C . 27050 1 507 . 1 1 114 114 THR CA C 13 63.087 0.3 . 1 . . . . . 114 THR CA . 27050 1 508 . 1 1 114 114 THR CB C 13 73.262 0.3 . 1 . . . . . 114 THR CB . 27050 1 509 . 1 1 114 114 THR N N 15 116.711 0.3 . 1 . . . . . 114 THR N . 27050 1 510 . 1 1 115 115 LEU H H 1 8.836 0.020 . 1 . . . . . 115 LEU H . 27050 1 511 . 1 1 115 115 LEU C C 13 175.242 0.3 . 1 . . . . . 115 LEU C . 27050 1 512 . 1 1 115 115 LEU CA C 13 53.371 0.3 . 1 . . . . . 115 LEU CA . 27050 1 513 . 1 1 115 115 LEU CB C 13 46.485 0.3 . 1 . . . . . 115 LEU CB . 27050 1 514 . 1 1 115 115 LEU N N 15 127.321 0.3 . 1 . . . . . 115 LEU N . 27050 1 515 . 1 1 116 116 ILE H H 1 8.867 0.020 . 1 . . . . . 116 ILE H . 27050 1 516 . 1 1 116 116 ILE C C 13 174.215 0.3 . 1 . . . . . 116 ILE C . 27050 1 517 . 1 1 116 116 ILE CA C 13 58.610 0.3 . 1 . . . . . 116 ILE CA . 27050 1 518 . 1 1 116 116 ILE CB C 13 38.709 0.3 . 1 . . . . . 116 ILE CB . 27050 1 519 . 1 1 116 116 ILE N N 15 125.295 0.3 . 1 . . . . . 116 ILE N . 27050 1 520 . 1 1 117 117 THR H H 1 8.492 0.020 . 1 . . . . . 117 THR H . 27050 1 521 . 1 1 117 117 THR C C 13 173.701 0.3 . 1 . . . . . 117 THR C . 27050 1 522 . 1 1 117 117 THR CA C 13 61.710 0.3 . 1 . . . . . 117 THR CA . 27050 1 523 . 1 1 117 117 THR CB C 13 67.983 0.3 . 1 . . . . . 117 THR CB . 27050 1 524 . 1 1 117 117 THR N N 15 125.075 0.3 . 1 . . . . . 117 THR N . 27050 1 525 . 1 1 118 118 ILE H H 1 9.387 0.020 . 1 . . . . . 118 ILE H . 27050 1 526 . 1 1 118 118 ILE C C 13 174.679 0.3 . 1 . . . . . 118 ILE C . 27050 1 527 . 1 1 118 118 ILE CA C 13 58.803 0.3 . 1 . . . . . 118 ILE CA . 27050 1 528 . 1 1 118 118 ILE CB C 13 42.430 0.3 . 1 . . . . . 118 ILE CB . 27050 1 529 . 1 1 118 118 ILE N N 15 126.121 0.3 . 1 . . . . . 118 ILE N . 27050 1 530 . 1 1 119 119 ASN H H 1 8.625 0.020 . 1 . . . . . 119 ASN H . 27050 1 531 . 1 1 119 119 ASN C C 13 175.682 0.3 . 1 . . . . . 119 ASN C . 27050 1 532 . 1 1 119 119 ASN CA C 13 53.218 0.3 . 1 . . . . . 119 ASN CA . 27050 1 533 . 1 1 119 119 ASN CB C 13 39.753 0.3 . 1 . . . . . 119 ASN CB . 27050 1 534 . 1 1 119 119 ASN N N 15 124.605 0.3 . 1 . . . . . 119 ASN N . 27050 1 535 . 1 1 120 120 ALA H H 1 8.006 0.020 . 1 . . . . . 120 ALA H . 27050 1 536 . 1 1 120 120 ALA C C 13 177.467 0.3 . 1 . . . . . 120 ALA C . 27050 1 537 . 1 1 120 120 ALA CA C 13 55.742 0.3 . 1 . . . . . 120 ALA CA . 27050 1 538 . 1 1 120 120 ALA CB C 13 19.938 0.3 . 1 . . . . . 120 ALA CB . 27050 1 539 . 1 1 120 120 ALA N N 15 128.677 0.3 . 1 . . . . . 120 ALA N . 27050 1 540 . 1 1 121 121 ASP H H 1 8.413 0.020 . 1 . . . . . 121 ASP H . 27050 1 541 . 1 1 121 121 ASP C C 13 178.494 0.3 . 1 . . . . . 121 ASP C . 27050 1 542 . 1 1 121 121 ASP CA C 13 56.737 0.3 . 1 . . . . . 121 ASP CA . 27050 1 543 . 1 1 121 121 ASP CB C 13 40.671 0.3 . 1 . . . . . 121 ASP CB . 27050 1 544 . 1 1 121 121 ASP N N 15 115.265 0.3 . 1 . . . . . 121 ASP N . 27050 1 545 . 1 1 122 122 THR H H 1 7.936 0.020 . 1 . . . . . 122 THR H . 27050 1 546 . 1 1 122 122 THR C C 13 177.247 0.3 . 1 . . . . . 122 THR C . 27050 1 547 . 1 1 122 122 THR CA C 13 61.480 0.3 . 1 . . . . . 122 THR CA . 27050 1 548 . 1 1 122 122 THR CB C 13 70.737 0.3 . 1 . . . . . 122 THR CB . 27050 1 549 . 1 1 122 122 THR N N 15 107.148 0.3 . 1 . . . . . 122 THR N . 27050 1 550 . 1 1 123 123 GLY H H 1 8.695 0.020 . 1 . . . . . 123 GLY H . 27050 1 551 . 1 1 123 123 GLY C C 13 172.332 0.3 . 1 . . . . . 123 GLY C . 27050 1 552 . 1 1 123 123 GLY CA C 13 45.414 0.3 . 1 . . . . . 123 GLY CA . 27050 1 553 . 1 1 123 123 GLY N N 15 112.033 0.3 . 1 . . . . . 123 GLY N . 27050 1 554 . 1 1 124 124 ALA H H 1 7.924 0.020 . 1 . . . . . 124 ALA H . 27050 1 555 . 1 1 124 124 ALA C C 13 176.513 0.3 . 1 . . . . . 124 ALA C . 27050 1 556 . 1 1 124 124 ALA CA C 13 52.759 0.3 . 1 . . . . . 124 ALA CA . 27050 1 557 . 1 1 124 124 ALA CB C 13 19.097 0.3 . 1 . . . . . 124 ALA CB . 27050 1 558 . 1 1 124 124 ALA N N 15 122.847 0.3 . 1 . . . . . 124 ALA N . 27050 1 559 . 1 1 125 125 ILE H H 1 8.590 0.020 . 1 . . . . . 125 ILE H . 27050 1 560 . 1 1 125 125 ILE C C 13 176.953 0.3 . 1 . . . . . 125 ILE C . 27050 1 561 . 1 1 125 125 ILE CA C 13 61.133 0.3 . 1 . . . . . 125 ILE CA . 27050 1 562 . 1 1 125 125 ILE CB C 13 37.214 0.3 . 1 . . . . . 125 ILE CB . 27050 1 563 . 1 1 125 125 ILE N N 15 121.382 0.3 . 1 . . . . . 125 ILE N . 27050 1 564 . 1 1 126 126 ILE H H 1 8.759 0.020 . 1 . . . . . 126 ILE H . 27050 1 565 . 1 1 126 126 ILE C C 13 176.195 0.3 . 1 . . . . . 126 ILE C . 27050 1 566 . 1 1 126 126 ILE CA C 13 62.628 0.3 . 1 . . . . . 126 ILE CA . 27050 1 567 . 1 1 126 126 ILE CB C 13 39.141 0.3 . 1 . . . . . 126 ILE CB . 27050 1 568 . 1 1 126 126 ILE N N 15 131.889 0.3 . 1 . . . . . 126 ILE N . 27050 1 569 . 1 1 127 127 GLY H H 1 7.490 0.020 . 1 . . . . . 127 GLY H . 27050 1 570 . 1 1 127 127 GLY C C 13 172.038 0.3 . 1 . . . . . 127 GLY C . 27050 1 571 . 1 1 127 127 GLY CA C 13 45.644 0.3 . 1 . . . . . 127 GLY CA . 27050 1 572 . 1 1 127 127 GLY N N 15 104.300 0.3 . 1 . . . . . 127 GLY N . 27050 1 573 . 1 1 128 128 THR H H 1 8.711 0.020 . 1 . . . . . 128 THR H . 27050 1 574 . 1 1 128 128 THR C C 13 175.462 0.3 . 1 . . . . . 128 THR C . 27050 1 575 . 1 1 128 128 THR CA C 13 61.623 0.3 . 1 . . . . . 128 THR CA . 27050 1 576 . 1 1 128 128 THR CB C 13 70.083 0.3 . 1 . . . . . 128 THR CB . 27050 1 577 . 1 1 128 128 THR N N 15 107.496 0.3 . 1 . . . . . 128 THR N . 27050 1 578 . 1 1 129 129 GLN H H 1 7.959 0.020 . 1 . . . . . 129 GLN H . 27050 1 579 . 1 1 129 129 GLN C C 13 177.174 0.3 . 1 . . . . . 129 GLN C . 27050 1 580 . 1 1 129 129 GLN CA C 13 54.671 0.3 . 1 . . . . . 129 GLN CA . 27050 1 581 . 1 1 129 129 GLN CB C 13 28.813 0.3 . 1 . . . . . 129 GLN CB . 27050 1 582 . 1 1 129 129 GLN N N 15 119.735 0.3 . 1 . . . . . 129 GLN N . 27050 1 583 . 1 1 130 130 ALA H H 1 9.167 0.020 . 1 . . . . . 130 ALA H . 27050 1 584 . 1 1 130 130 ALA C C 13 176.709 0.3 . 1 . . . . . 130 ALA C . 27050 1 585 . 1 1 130 130 ALA CA C 13 55.513 0.3 . 1 . . . . . 130 ALA CA . 27050 1 586 . 1 1 130 130 ALA CB C 13 18.867 0.3 . 1 . . . . . 130 ALA CB . 27050 1 587 . 1 1 130 130 ALA N N 15 122.462 0.3 . 1 . . . . . 130 ALA N . 27050 1 588 . 1 1 131 131 ARG H H 1 8.076 0.020 . 1 . . . . . 131 ARG H . 27050 1 589 . 1 1 131 131 ARG C C 13 176.367 0.3 . 1 . . . . . 131 ARG C . 27050 1 590 . 1 1 131 131 ARG CA C 13 59.185 0.3 . 1 . . . . . 131 ARG CA . 27050 1 591 . 1 1 131 131 ARG CB C 13 29.501 0.3 . 1 . . . . . 131 ARG CB . 27050 1 592 . 1 1 131 131 ARG N N 15 116.295 0.3 . 1 . . . . . 131 ARG N . 27050 1 593 . 1 1 132 132 THR H H 1 6.973 0.020 . 1 . . . . . 132 THR H . 27050 1 594 . 1 1 132 132 THR C C 13 176.367 0.3 . 1 . . . . . 132 THR C . 27050 1 595 . 1 1 132 132 THR CA C 13 64.081 0.3 . 1 . . . . . 132 THR CA . 27050 1 596 . 1 1 132 132 THR CB C 13 68.748 0.3 . 1 . . . . . 132 THR CB . 27050 1 597 . 1 1 132 132 THR N N 15 109.107 0.3 . 1 . . . . . 132 THR N . 27050 1 598 . 1 1 133 133 ARG H H 1 7.153 0.020 . 1 . . . . . 133 ARG H . 27050 1 599 . 1 1 133 133 ARG C C 13 177.320 0.3 . 1 . . . . . 133 ARG C . 27050 1 600 . 1 1 133 133 ARG CA C 13 57.119 0.3 . 1 . . . . . 133 ARG CA . 27050 1 601 . 1 1 133 133 ARG CB C 13 27.512 0.3 . 1 . . . . . 133 ARG CB . 27050 1 602 . 1 1 133 133 ARG N N 15 120.062 0.3 . 1 . . . . . 133 ARG N . 27050 1 603 . 1 1 134 134 VAL H H 1 7.435 0.020 . 1 . . . . . 134 VAL H . 27050 1 604 . 1 1 134 134 VAL C C 13 176.073 0.3 . 1 . . . . . 134 VAL C . 27050 1 605 . 1 1 134 134 VAL CA C 13 64.387 0.3 . 1 . . . . . 134 VAL CA . 27050 1 606 . 1 1 134 134 VAL CB C 13 31.184 0.3 . 1 . . . . . 134 VAL CB . 27050 1 607 . 1 1 134 134 VAL N N 15 116.059 0.3 . 1 . . . . . 134 VAL N . 27050 1 608 . 1 1 135 135 ILE H H 1 6.265 0.020 . 1 . . . . . 135 ILE H . 27050 1 609 . 1 1 135 135 ILE C C 13 177.687 0.3 . 1 . . . . . 135 ILE C . 27050 1 610 . 1 1 135 135 ILE CA C 13 62.551 0.3 . 1 . . . . . 135 ILE CA . 27050 1 611 . 1 1 135 135 ILE CB C 13 37.381 0.3 . 1 . . . . . 135 ILE CB . 27050 1 612 . 1 1 135 135 ILE N N 15 116.329 0.3 . 1 . . . . . 135 ILE N . 27050 1 613 . 1 1 136 136 GLU H H 1 6.996 0.020 . 1 . . . . . 136 GLU H . 27050 1 614 . 1 1 136 136 GLU C C 13 175.926 0.3 . 1 . . . . . 136 GLU C . 27050 1 615 . 1 1 136 136 GLU CA C 13 57.043 0.3 . 1 . . . . . 136 GLU CA . 27050 1 616 . 1 1 136 136 GLU CB C 13 30.572 0.3 . 1 . . . . . 136 GLU CB . 27050 1 617 . 1 1 136 136 GLU N N 15 116.572 0.3 . 1 . . . . . 136 GLU N . 27050 1 618 . 1 1 137 137 ASP H H 1 7.869 0.020 . 1 . . . . . 137 ASP H . 27050 1 619 . 1 1 137 137 ASP C C 13 173.163 0.3 . 1 . . . . . 137 ASP C . 27050 1 620 . 1 1 137 137 ASP CA C 13 51.535 0.3 . 1 . . . . . 137 ASP CA . 27050 1 621 . 1 1 137 137 ASP CB C 13 41.206 0.3 . 1 . . . . . 137 ASP CB . 27050 1 622 . 1 1 137 137 ASP N N 15 118.429 0.3 . 1 . . . . . 137 ASP N . 27050 1 623 . 1 1 138 138 PRO C C 13 178.254 0.3 . 1 . . . . . 138 PRO C . 27050 1 624 . 1 1 138 138 PRO CA C 13 64.999 0.3 . 1 . . . . . 138 PRO CA . 27050 1 625 . 1 1 138 138 PRO CB C 13 31.796 0.3 . 1 . . . . . 138 PRO CB . 27050 1 626 . 1 1 139 139 ASP H H 1 8.543 0.020 . 1 . . . . . 139 ASP H . 27050 1 627 . 1 1 139 139 ASP C C 13 176.513 0.3 . 1 . . . . . 139 ASP C . 27050 1 628 . 1 1 139 139 ASP CA C 13 53.983 0.3 . 1 . . . . . 139 ASP CA . 27050 1 629 . 1 1 139 139 ASP CB C 13 40.824 0.3 . 1 . . . . . 139 ASP CB . 27050 1 630 . 1 1 139 139 ASP N N 15 115.127 0.3 . 1 . . . . . 139 ASP N . 27050 1 631 . 1 1 140 140 GLY H H 1 8.789 0.020 . 1 . . . . . 140 GLY H . 27050 1 632 . 1 1 140 140 GLY C C 13 175.633 0.3 . 1 . . . . . 140 GLY C . 27050 1 633 . 1 1 140 140 GLY CA C 13 47.939 0.3 . 1 . . . . . 140 GLY CA . 27050 1 634 . 1 1 140 140 GLY N N 15 109.934 0.3 . 1 . . . . . 140 GLY N . 27050 1 635 . 1 1 141 141 ALA H H 1 9.900 0.020 . 1 . . . . . 141 ALA H . 27050 1 636 . 1 1 141 141 ALA C C 13 180.157 0.3 . 1 . . . . . 141 ALA C . 27050 1 637 . 1 1 141 141 ALA CA C 13 55.436 0.3 . 1 . . . . . 141 ALA CA . 27050 1 638 . 1 1 141 141 ALA CB C 13 18.102 0.3 . 1 . . . . . 141 ALA CB . 27050 1 639 . 1 1 141 141 ALA N N 15 126.943 0.3 . 1 . . . . . 141 ALA N . 27050 1 640 . 1 1 142 142 ASN H H 1 10.349 0.020 . 1 . . . . . 142 ASN H . 27050 1 641 . 1 1 142 142 ASN C C 13 174.704 0.3 . 1 . . . . . 142 ASN C . 27050 1 642 . 1 1 142 142 ASN CA C 13 51.581 0.3 . 1 . . . . . 142 ASN CA . 27050 1 643 . 1 1 142 142 ASN CB C 13 39.523 0.3 . 1 . . . . . 142 ASN CB . 27050 1 644 . 1 1 142 142 ASN N N 15 114.391 0.3 . 1 . . . . . 142 ASN N . 27050 1 645 . 1 1 143 143 PHE H H 1 6.669 0.020 . 1 . . . . . 143 PHE H . 27050 1 646 . 1 1 143 143 PHE C C 13 172.992 0.3 . 1 . . . . . 143 PHE C . 27050 1 647 . 1 1 143 143 PHE CA C 13 55.895 0.3 . 1 . . . . . 143 PHE CA . 27050 1 648 . 1 1 143 143 PHE CB C 13 39.523 0.3 . 1 . . . . . 143 PHE CB . 27050 1 649 . 1 1 143 143 PHE N N 15 122.830 0.3 . 1 . . . . . 143 PHE N . 27050 1 650 . 1 1 144 144 PRO C C 13 171.702 0.3 . 1 . . . . . 144 PRO C . 27050 1 651 . 1 1 144 144 PRO CA C 13 63.699 0.3 . 1 . . . . . 144 PRO CA . 27050 1 652 . 1 1 144 144 PRO CB C 13 30.190 0.3 . 1 . . . . . 144 PRO CB . 27050 1 653 . 1 1 145 145 TRP H H 1 8.429 0.020 . 1 . . . . . 145 TRP H . 27050 1 654 . 1 1 145 145 TRP C C 13 171.940 0.3 . 1 . . . . . 145 TRP C . 27050 1 655 . 1 1 145 145 TRP CA C 13 57.808 0.3 . 1 . . . . . 145 TRP CA . 27050 1 656 . 1 1 145 145 TRP CB C 13 24.834 0.3 . 1 . . . . . 145 TRP CB . 27050 1 657 . 1 1 145 145 TRP N N 15 118.062 0.3 . 1 . . . . . 145 TRP N . 27050 1 658 . 1 1 146 146 PRO C C 13 177.186 0.3 . 1 . . . . . 146 PRO C . 27050 1 659 . 1 1 146 146 PRO CA C 13 63.087 0.3 . 1 . . . . . 146 PRO CA . 27050 1 660 . 1 1 146 146 PRO CB C 13 31.720 0.3 . 1 . . . . . 146 PRO CB . 27050 1 661 . 1 1 147 147 ASN H H 1 8.175 0.020 . 1 . . . . . 147 ASN H . 27050 1 662 . 1 1 147 147 ASN C C 13 179.203 0.3 . 1 . . . . . 147 ASN C . 27050 1 663 . 1 1 147 147 ASN CA C 13 55.589 0.3 . 1 . . . . . 147 ASN CA . 27050 1 664 . 1 1 147 147 ASN CB C 13 39.982 0.3 . 1 . . . . . 147 ASN CB . 27050 1 665 . 1 1 147 147 ASN N N 15 123.554 0.3 . 1 . . . . . 147 ASN N . 27050 1 stop_ save_