data_26761 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26761 _Entry.Title ; Backbone assignment of the Xylanase B2 from Streptomyces lividans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-19 _Entry.Accession_date 2016-03-19 _Entry.Last_release_date 2016-04-22 _Entry.Original_release_date 2016-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Donald Gagne . . . . 26761 2 Nhung 'Nguyen Thi' . . . . 26761 3 Chitra Narayanan . . . . 26761 4 Louise Roux . . . . 26761 5 Joseph Brunzelle . . . . 26761 6 Jean-Francois Couture . . . . 26761 7 Pratul Agarwal . . . . 26761 8 Nicolas Doucet . . . . 26761 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26761 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 26761 '15N chemical shifts' 147 26761 '1H chemical shifts' 146 26761 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 2 . . 2016-10-26 2016-03-19 update BMRB 'update entry citation' 26761 1 . . 2016-04-22 2016-03-19 original author 'original release' 26761 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26761 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27387012 _Citation.Full_citation . _Citation.Title ; Ligand Binding Enhances Millisecond Conformational Exchange in Xylanase B2 from Streptomyces lividans ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 30 _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 4184 _Citation.Page_last 4196 _Citation.Year 2016 _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 Donald Gagne . . . . 26761 1 2 Nhung 'Nguyen Thi' . . . . 26761 1 3 Chitra Narayanan . . . . 26761 1 4 Louise Roux . . . . 26761 1 5 Joseph Brunzelle . . . . 26761 1 6 Jean-Francois Couture . . . . 26761 1 7 Pratul Agarwal . . . . 26761 1 8 Nicolas Doucet . . . . 26761 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26761 _Assembly.ID 1 _Assembly.Name XlnB2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 XlnB2 1 $XlnB2 A . yes native no no . . . 26761 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XlnB2 _Entity.Sf_category entity _Entity.Sf_framecode XlnB2 _Entity.Entry_ID 26761 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XlnB2 _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 ; DTVVTTNQEGTNNGYYYSFW TDSQGTVSMNMGSGGQYSTS WRNTGNFVAGKGWANGGRRT VQYSGSFNPSGNAYLALYGW TSNPLVEYYIVDNWGTYRPT GEYKGTVTSDGGTYDIYKTT RVNKPSVEGTRTFDQYWSVR QSKRTGGTITTGNHFDAWAR AGMPLGNFSYYMIMATEGYQ SSGSSSINVGG ; _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 191 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . ASP . 26761 1 2 . THR . 26761 1 3 . VAL . 26761 1 4 . VAL . 26761 1 5 . THR . 26761 1 6 . THR . 26761 1 7 . ASN . 26761 1 8 . GLN . 26761 1 9 . GLU . 26761 1 10 . GLY . 26761 1 11 . THR . 26761 1 12 . ASN . 26761 1 13 . ASN . 26761 1 14 . GLY . 26761 1 15 . TYR . 26761 1 16 . TYR . 26761 1 17 . TYR . 26761 1 18 . SER . 26761 1 19 . PHE . 26761 1 20 . TRP . 26761 1 21 . THR . 26761 1 22 . ASP . 26761 1 23 . SER . 26761 1 24 . GLN . 26761 1 25 . GLY . 26761 1 26 . THR . 26761 1 27 . VAL . 26761 1 28 . SER . 26761 1 29 . MET . 26761 1 30 . ASN . 26761 1 31 . MET . 26761 1 32 . GLY . 26761 1 33 . SER . 26761 1 34 . GLY . 26761 1 35 . GLY . 26761 1 36 . GLN . 26761 1 37 . TYR . 26761 1 38 . SER . 26761 1 39 . THR . 26761 1 40 . SER . 26761 1 41 . TRP . 26761 1 42 . ARG . 26761 1 43 . ASN . 26761 1 44 . THR . 26761 1 45 . GLY . 26761 1 46 . ASN . 26761 1 47 . PHE . 26761 1 48 . VAL . 26761 1 49 . ALA . 26761 1 50 . GLY . 26761 1 51 . LYS . 26761 1 52 . GLY . 26761 1 53 . TRP . 26761 1 54 . ALA . 26761 1 55 . ASN . 26761 1 56 . GLY . 26761 1 57 . GLY . 26761 1 58 . ARG . 26761 1 59 . ARG . 26761 1 60 . THR . 26761 1 61 . VAL . 26761 1 62 . GLN . 26761 1 63 . TYR . 26761 1 64 . SER . 26761 1 65 . GLY . 26761 1 66 . SER . 26761 1 67 . PHE . 26761 1 68 . ASN . 26761 1 69 . PRO . 26761 1 70 . SER . 26761 1 71 . GLY . 26761 1 72 . ASN . 26761 1 73 . ALA . 26761 1 74 . TYR . 26761 1 75 . LEU . 26761 1 76 . ALA . 26761 1 77 . LEU . 26761 1 78 . TYR . 26761 1 79 . GLY . 26761 1 80 . TRP . 26761 1 81 . THR . 26761 1 82 . SER . 26761 1 83 . ASN . 26761 1 84 . PRO . 26761 1 85 . LEU . 26761 1 86 . VAL . 26761 1 87 . GLU . 26761 1 88 . TYR . 26761 1 89 . TYR . 26761 1 90 . ILE . 26761 1 91 . VAL . 26761 1 92 . ASP . 26761 1 93 . ASN . 26761 1 94 . TRP . 26761 1 95 . GLY . 26761 1 96 . THR . 26761 1 97 . TYR . 26761 1 98 . ARG . 26761 1 99 . PRO . 26761 1 100 . THR . 26761 1 101 . GLY . 26761 1 102 . GLU . 26761 1 103 . TYR . 26761 1 104 . LYS . 26761 1 105 . GLY . 26761 1 106 . THR . 26761 1 107 . VAL . 26761 1 108 . THR . 26761 1 109 . SER . 26761 1 110 . ASP . 26761 1 111 . GLY . 26761 1 112 . GLY . 26761 1 113 . THR . 26761 1 114 . TYR . 26761 1 115 . ASP . 26761 1 116 . ILE . 26761 1 117 . TYR . 26761 1 118 . LYS . 26761 1 119 . THR . 26761 1 120 . THR . 26761 1 121 . ARG . 26761 1 122 . VAL . 26761 1 123 . ASN . 26761 1 124 . LYS . 26761 1 125 . PRO . 26761 1 126 . SER . 26761 1 127 . VAL . 26761 1 128 . GLU . 26761 1 129 . GLY . 26761 1 130 . THR . 26761 1 131 . ARG . 26761 1 132 . THR . 26761 1 133 . PHE . 26761 1 134 . ASP . 26761 1 135 . GLN . 26761 1 136 . TYR . 26761 1 137 . TRP . 26761 1 138 . SER . 26761 1 139 . VAL . 26761 1 140 . ARG . 26761 1 141 . GLN . 26761 1 142 . SER . 26761 1 143 . LYS . 26761 1 144 . ARG . 26761 1 145 . THR . 26761 1 146 . GLY . 26761 1 147 . GLY . 26761 1 148 . THR . 26761 1 149 . ILE . 26761 1 150 . THR . 26761 1 151 . THR . 26761 1 152 . GLY . 26761 1 153 . ASN . 26761 1 154 . HIS . 26761 1 155 . PHE . 26761 1 156 . ASP . 26761 1 157 . ALA . 26761 1 158 . TRP . 26761 1 159 . ALA . 26761 1 160 . ARG . 26761 1 161 . ALA . 26761 1 162 . GLY . 26761 1 163 . MET . 26761 1 164 . PRO . 26761 1 165 . LEU . 26761 1 166 . GLY . 26761 1 167 . ASN . 26761 1 168 . PHE . 26761 1 169 . SER . 26761 1 170 . TYR . 26761 1 171 . TYR . 26761 1 172 . MET . 26761 1 173 . ILE . 26761 1 174 . MET . 26761 1 175 . ALA . 26761 1 176 . THR . 26761 1 177 . GLU . 26761 1 178 . GLY . 26761 1 179 . TYR . 26761 1 180 . GLN . 26761 1 181 . SER . 26761 1 182 . SER . 26761 1 183 . GLY . 26761 1 184 . SER . 26761 1 185 . SER . 26761 1 186 . SER . 26761 1 187 . ILE . 26761 1 188 . ASN . 26761 1 189 . VAL . 26761 1 190 . GLY . 26761 1 191 . GLY . 26761 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 . ASP 1 1 26761 1 . THR 2 2 26761 1 . VAL 3 3 26761 1 . VAL 4 4 26761 1 . THR 5 5 26761 1 . THR 6 6 26761 1 . ASN 7 7 26761 1 . GLN 8 8 26761 1 . GLU 9 9 26761 1 . GLY 10 10 26761 1 . THR 11 11 26761 1 . ASN 12 12 26761 1 . ASN 13 13 26761 1 . GLY 14 14 26761 1 . TYR 15 15 26761 1 . TYR 16 16 26761 1 . TYR 17 17 26761 1 . SER 18 18 26761 1 . PHE 19 19 26761 1 . TRP 20 20 26761 1 . THR 21 21 26761 1 . ASP 22 22 26761 1 . SER 23 23 26761 1 . GLN 24 24 26761 1 . GLY 25 25 26761 1 . THR 26 26 26761 1 . VAL 27 27 26761 1 . SER 28 28 26761 1 . MET 29 29 26761 1 . ASN 30 30 26761 1 . MET 31 31 26761 1 . GLY 32 32 26761 1 . SER 33 33 26761 1 . GLY 34 34 26761 1 . GLY 35 35 26761 1 . GLN 36 36 26761 1 . TYR 37 37 26761 1 . SER 38 38 26761 1 . THR 39 39 26761 1 . SER 40 40 26761 1 . TRP 41 41 26761 1 . ARG 42 42 26761 1 . ASN 43 43 26761 1 . THR 44 44 26761 1 . GLY 45 45 26761 1 . ASN 46 46 26761 1 . PHE 47 47 26761 1 . VAL 48 48 26761 1 . ALA 49 49 26761 1 . GLY 50 50 26761 1 . LYS 51 51 26761 1 . GLY 52 52 26761 1 . TRP 53 53 26761 1 . ALA 54 54 26761 1 . ASN 55 55 26761 1 . GLY 56 56 26761 1 . GLY 57 57 26761 1 . ARG 58 58 26761 1 . ARG 59 59 26761 1 . THR 60 60 26761 1 . VAL 61 61 26761 1 . GLN 62 62 26761 1 . TYR 63 63 26761 1 . SER 64 64 26761 1 . GLY 65 65 26761 1 . SER 66 66 26761 1 . PHE 67 67 26761 1 . ASN 68 68 26761 1 . PRO 69 69 26761 1 . SER 70 70 26761 1 . GLY 71 71 26761 1 . ASN 72 72 26761 1 . ALA 73 73 26761 1 . TYR 74 74 26761 1 . LEU 75 75 26761 1 . ALA 76 76 26761 1 . LEU 77 77 26761 1 . TYR 78 78 26761 1 . GLY 79 79 26761 1 . TRP 80 80 26761 1 . THR 81 81 26761 1 . SER 82 82 26761 1 . ASN 83 83 26761 1 . PRO 84 84 26761 1 . LEU 85 85 26761 1 . VAL 86 86 26761 1 . GLU 87 87 26761 1 . TYR 88 88 26761 1 . TYR 89 89 26761 1 . ILE 90 90 26761 1 . VAL 91 91 26761 1 . ASP 92 92 26761 1 . ASN 93 93 26761 1 . TRP 94 94 26761 1 . GLY 95 95 26761 1 . THR 96 96 26761 1 . TYR 97 97 26761 1 . ARG 98 98 26761 1 . PRO 99 99 26761 1 . THR 100 100 26761 1 . GLY 101 101 26761 1 . GLU 102 102 26761 1 . TYR 103 103 26761 1 . LYS 104 104 26761 1 . GLY 105 105 26761 1 . THR 106 106 26761 1 . VAL 107 107 26761 1 . THR 108 108 26761 1 . SER 109 109 26761 1 . ASP 110 110 26761 1 . GLY 111 111 26761 1 . GLY 112 112 26761 1 . THR 113 113 26761 1 . TYR 114 114 26761 1 . ASP 115 115 26761 1 . ILE 116 116 26761 1 . TYR 117 117 26761 1 . LYS 118 118 26761 1 . THR 119 119 26761 1 . THR 120 120 26761 1 . ARG 121 121 26761 1 . VAL 122 122 26761 1 . ASN 123 123 26761 1 . LYS 124 124 26761 1 . PRO 125 125 26761 1 . SER 126 126 26761 1 . VAL 127 127 26761 1 . GLU 128 128 26761 1 . GLY 129 129 26761 1 . THR 130 130 26761 1 . ARG 131 131 26761 1 . THR 132 132 26761 1 . PHE 133 133 26761 1 . ASP 134 134 26761 1 . GLN 135 135 26761 1 . TYR 136 136 26761 1 . TRP 137 137 26761 1 . SER 138 138 26761 1 . VAL 139 139 26761 1 . ARG 140 140 26761 1 . GLN 141 141 26761 1 . SER 142 142 26761 1 . LYS 143 143 26761 1 . ARG 144 144 26761 1 . THR 145 145 26761 1 . GLY 146 146 26761 1 . GLY 147 147 26761 1 . THR 148 148 26761 1 . ILE 149 149 26761 1 . THR 150 150 26761 1 . THR 151 151 26761 1 . GLY 152 152 26761 1 . ASN 153 153 26761 1 . HIS 154 154 26761 1 . PHE 155 155 26761 1 . ASP 156 156 26761 1 . ALA 157 157 26761 1 . TRP 158 158 26761 1 . ALA 159 159 26761 1 . ARG 160 160 26761 1 . ALA 161 161 26761 1 . GLY 162 162 26761 1 . MET 163 163 26761 1 . PRO 164 164 26761 1 . LEU 165 165 26761 1 . GLY 166 166 26761 1 . ASN 167 167 26761 1 . PHE 168 168 26761 1 . SER 169 169 26761 1 . TYR 170 170 26761 1 . TYR 171 171 26761 1 . MET 172 172 26761 1 . ILE 173 173 26761 1 . MET 174 174 26761 1 . ALA 175 175 26761 1 . THR 176 176 26761 1 . GLU 177 177 26761 1 . GLY 178 178 26761 1 . TYR 179 179 26761 1 . GLN 180 180 26761 1 . SER 181 181 26761 1 . SER 182 182 26761 1 . GLY 183 183 26761 1 . SER 184 184 26761 1 . SER 185 185 26761 1 . SER 186 186 26761 1 . ILE 187 187 26761 1 . ASN 188 188 26761 1 . VAL 189 189 26761 1 . GLY 190 190 26761 1 . GLY 191 191 26761 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 26761 _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 $XlnB2 . 1916 organism . 'Streptomyces lividans' 'Streptomyces lividans' . . Bacteria . Streptomyces lividans . . . . . . . . . . . . . 26761 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 26761 _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 $XlnB2 . 'recombinant technology' 'Streptomyces lividans' . . . Streptomyces lividans . . . . . . pIAF935 . . . 26761 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26761 _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 XlnB2 '[U-100% 15N]' . . 1 $XlnB2 . . 3 . . g/L . . . . 26761 1 2 XlnB2 '[U-100% 13C]' . . 1 $XlnB2 . . 2 . . g/L . . . . 26761 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 26761 _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' 20 . mM 26761 1 pH 6.5 . pH 26761 1 pressure 1 . atm 26761 1 temperature 298 . K 26761 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26761 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26761 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26761 1 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 26761 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26761 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26761 _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 Varian INOVA . 800 . . . 26761 1 2 spectrometer_2 Varian INOVA . 600 . . . 26761 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 26761 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26761 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26761 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26761 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26761 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26761 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26761 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 26761 _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 na 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 26761 1 H 1 na protons . . . . ppm 0 internal direct 1 . . . . . 26761 1 N 15 na nitrogen . . . . ppm 0 internal direct 1 . . . . . 26761 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 26761 _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 . _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 2 '3D HNCO' . . . 26761 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.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 1 1 ASP C C 13 172.251 . . . . . . . 1 D C . 26761 1 2 . 1 1 1 1 ASP CA C 13 54.097 . . . . . . . 1 D CA . 26761 1 3 . 1 1 1 1 ASP CB C 13 39.796 . . . . . . . 1 D CB . 26761 1 4 . 1 1 2 2 THR H H 1 8.298 . . . . . . . 2 T H . 26761 1 5 . 1 1 2 2 THR C C 13 172.591 . . . . . . . 2 T C . 26761 1 6 . 1 1 2 2 THR CA C 13 62.408 . . . . . . . 2 T CA . 26761 1 7 . 1 1 2 2 THR CB C 13 70.740 . . . . . . . 2 T CB . 26761 1 8 . 1 1 2 2 THR N N 15 117.042 . . . . . . . 2 T N . 26761 1 9 . 1 1 3 3 VAL H H 1 8.743 . . . . . . . 3 V H . 26761 1 10 . 1 1 3 3 VAL C C 13 175.301 . . . . . . . 3 V C . 26761 1 11 . 1 1 3 3 VAL CA C 13 61.757 . . . . . . . 3 V CA . 26761 1 12 . 1 1 3 3 VAL CB C 13 32.916 . . . . . . . 3 V CB . 26761 1 13 . 1 1 3 3 VAL N N 15 128.556 . . . . . . . 3 V N . 26761 1 14 . 1 1 4 4 VAL H H 1 9.433 . . . . . . . 4 V H . 26761 1 15 . 1 1 4 4 VAL C C 13 174.562 . . . . . . . 4 V C . 26761 1 16 . 1 1 4 4 VAL CA C 13 61.431 . . . . . . . 4 V CA . 26761 1 17 . 1 1 4 4 VAL CB C 13 34.266 . . . . . . . 4 V CB . 26761 1 18 . 1 1 4 4 VAL N N 15 129.642 . . . . . . . 4 V N . 26761 1 19 . 1 1 5 5 THR H H 1 8.612 . . . . . . . 5 T H . 26761 1 20 . 1 1 5 5 THR C C 13 174.249 . . . . . . . 5 T C . 26761 1 21 . 1 1 5 5 THR CA C 13 60.976 . . . . . . . 5 T CA . 26761 1 22 . 1 1 5 5 THR CB C 13 70.631 . . . . . . . 5 T CB . 26761 1 23 . 1 1 5 5 THR N N 15 112.045 . . . . . . . 5 T N . 26761 1 24 . 1 1 6 6 THR H H 1 7.029 . . . . . . . 6 T H . 26761 1 25 . 1 1 6 6 THR C C 13 172.502 . . . . . . . 6 T C . 26761 1 26 . 1 1 6 6 THR CA C 13 58.654 . . . . . . . 6 T CA . 26761 1 27 . 1 1 6 6 THR CB C 13 71.915 . . . . . . . 6 T CB . 26761 1 28 . 1 1 6 6 THR N N 15 113.493 . . . . . . . 6 T N . 26761 1 29 . 1 1 7 7 ASN H H 1 8.375 . . . . . . . 7 N H . 26761 1 30 . 1 1 7 7 ASN C C 13 176.506 . . . . . . . 7 N C . 26761 1 31 . 1 1 7 7 ASN CB C 13 37.507 . . . . . . . 7 N CB . 26761 1 32 . 1 1 7 7 ASN N N 15 120.527 . . . . . . . 7 N N . 26761 1 33 . 1 1 8 8 GLN H H 1 8.958 . . . . . . . 8 Q H . 26761 1 34 . 1 1 8 8 GLN C C 13 172.082 . . . . . . . 8 Q C . 26761 1 35 . 1 1 8 8 GLN CA C 13 56.043 . . . . . . . 8 Q CA . 26761 1 36 . 1 1 8 8 GLN CB C 13 33.021 . . . . . . . 8 Q CB . 26761 1 37 . 1 1 8 8 GLN N N 15 120.653 . . . . . . . 8 Q N . 26761 1 38 . 1 1 9 9 GLU H H 1 8.050 . . . . . . . 9 E H . 26761 1 39 . 1 1 9 9 GLU C C 13 174.434 . . . . . . . 9 E C . 26761 1 40 . 1 1 9 9 GLU CA C 13 53.692 . . . . . . . 9 E CA . 26761 1 41 . 1 1 9 9 GLU CB C 13 31.900 . . . . . . . 9 E CB . 26761 1 42 . 1 1 9 9 GLU N N 15 115.639 . . . . . . . 9 E N . 26761 1 43 . 1 1 10 10 GLY H H 1 6.707 . . . . . . . 10 G H . 26761 1 44 . 1 1 10 10 GLY C C 13 170.430 . . . . . . . 10 G C . 26761 1 45 . 1 1 10 10 GLY CA C 13 45.761 . . . . . . . 10 G CA . 26761 1 46 . 1 1 10 10 GLY N N 15 106.364 . . . . . . . 10 G N . 26761 1 47 . 1 1 11 11 THR H H 1 8.359 . . . . . . . 11 T H . 26761 1 48 . 1 1 11 11 THR C C 13 174.363 . . . . . . . 11 T C . 26761 1 49 . 1 1 11 11 THR CA C 13 60.254 . . . . . . . 11 T CA . 26761 1 50 . 1 1 11 11 THR CB C 13 71.252 . . . . . . . 11 T CB . 26761 1 51 . 1 1 11 11 THR N N 15 112.608 . . . . . . . 11 T N . 26761 1 52 . 1 1 12 12 ASN H H 1 9.902 . . . . . . . 12 N H . 26761 1 53 . 1 1 12 12 ASN C C 13 172.902 . . . . . . . 12 N C . 26761 1 54 . 1 1 12 12 ASN CA C 13 54.308 . . . . . . . 12 N CA . 26761 1 55 . 1 1 12 12 ASN CB C 13 44.515 . . . . . . . 12 N CB . 26761 1 56 . 1 1 12 12 ASN N N 15 124.138 . . . . . . . 12 N N . 26761 1 57 . 1 1 13 13 ASN H H 1 9.626 . . . . . . . 13 N H . 26761 1 58 . 1 1 13 13 ASN C C 13 172.903 . . . . . . . 13 N C . 26761 1 59 . 1 1 13 13 ASN CA C 13 55.416 . . . . . . . 13 N CA . 26761 1 60 . 1 1 13 13 ASN CB C 13 38.702 . . . . . . . 13 N CB . 26761 1 61 . 1 1 13 13 ASN N N 15 124.302 . . . . . . . 13 N N . 26761 1 62 . 1 1 14 14 GLY H H 1 8.513 . . . . . . . 14 G H . 26761 1 63 . 1 1 14 14 GLY C C 13 174.142 . . . . . . . 14 G C . 26761 1 64 . 1 1 14 14 GLY CA C 13 45.054 . . . . . . . 14 G CA . 26761 1 65 . 1 1 14 14 GLY N N 15 101.482 . . . . . . . 14 G N . 26761 1 66 . 1 1 15 15 TYR H H 1 8.184 . . . . . . . 15 Y H . 26761 1 67 . 1 1 15 15 TYR C C 13 174.842 . . . . . . . 15 Y C . 26761 1 68 . 1 1 15 15 TYR CA C 13 57.957 . . . . . . . 15 Y CA . 26761 1 69 . 1 1 15 15 TYR CB C 13 40.460 . . . . . . . 15 Y CB . 26761 1 70 . 1 1 15 15 TYR N N 15 120.363 . . . . . . . 15 Y N . 26761 1 71 . 1 1 16 16 TYR H H 1 7.898 . . . . . . . 16 Y H . 26761 1 72 . 1 1 16 16 TYR C C 13 174.271 . . . . . . . 16 Y C . 26761 1 73 . 1 1 16 16 TYR CA C 13 57.818 . . . . . . . 16 Y CA . 26761 1 74 . 1 1 16 16 TYR CB C 13 40.346 . . . . . . . 16 Y CB . 26761 1 75 . 1 1 16 16 TYR N N 15 125.021 . . . . . . . 16 Y N . 26761 1 76 . 1 1 17 17 TYR H H 1 8.221 . . . . . . . 17 Y H . 26761 1 77 . 1 1 17 17 TYR C C 13 170.832 . . . . . . . 17 Y C . 26761 1 78 . 1 1 17 17 TYR CA C 13 55.574 . . . . . . . 17 Y CA . 26761 1 79 . 1 1 17 17 TYR CB C 13 43.276 . . . . . . . 17 Y CB . 26761 1 80 . 1 1 17 17 TYR N N 15 124.421 . . . . . . . 17 Y N . 26761 1 81 . 1 1 18 18 SER H H 1 7.670 . . . . . . . 18 S H . 26761 1 82 . 1 1 18 18 SER C C 13 172.076 . . . . . . . 18 S C . 26761 1 83 . 1 1 18 18 SER CA C 13 56.661 . . . . . . . 18 S CA . 26761 1 84 . 1 1 18 18 SER CB C 13 64.322 . . . . . . . 18 S CB . 26761 1 85 . 1 1 18 18 SER N N 15 109.557 . . . . . . . 18 S N . 26761 1 86 . 1 1 19 19 PHE H H 1 8.731 . . . . . . . 19 F H . 26761 1 87 . 1 1 19 19 PHE C C 13 173.601 . . . . . . . 19 F C . 26761 1 88 . 1 1 19 19 PHE CA C 13 57.966 . . . . . . . 19 F CA . 26761 1 89 . 1 1 19 19 PHE CB C 13 43.795 . . . . . . . 19 F CB . 26761 1 90 . 1 1 19 19 PHE N N 15 127.388 . . . . . . . 19 F N . 26761 1 91 . 1 1 20 20 TRP H H 1 8.282 . . . . . . . 20 W H . 26761 1 92 . 1 1 20 20 TRP CA C 13 57.579 . . . . . . . 20 W CA . 26761 1 93 . 1 1 20 20 TRP CB C 13 31.916 . . . . . . . 20 W CB . 26761 1 94 . 1 1 20 20 TRP N N 15 130.541 . . . . . . . 20 W N . 26761 1 95 . 1 1 23 23 SER C C 13 174.304 . . . . . . . 23 S C . 26761 1 96 . 1 1 23 23 SER CA C 13 58.550 . . . . . . . 23 S CA . 26761 1 97 . 1 1 23 23 SER CB C 13 64.473 . . . . . . . 23 S CB . 26761 1 98 . 1 1 24 24 GLN H H 1 9.620 . . . . . . . 24 Q H . 26761 1 99 . 1 1 24 24 GLN C C 13 176.788 . . . . . . . 24 Q C . 26761 1 100 . 1 1 24 24 GLN CA C 13 55.529 . . . . . . . 24 Q CA . 26761 1 101 . 1 1 24 24 GLN N N 15 124.117 . . . . . . . 24 Q N . 26761 1 102 . 1 1 25 25 GLY H H 1 9.011 . . . . . . . 25 G H . 26761 1 103 . 1 1 25 25 GLY C C 13 173.821 . . . . . . . 25 G C . 26761 1 104 . 1 1 25 25 GLY CA C 13 45.827 . . . . . . . 25 G CA . 26761 1 105 . 1 1 25 25 GLY N N 15 105.414 . . . . . . . 25 G N . 26761 1 106 . 1 1 30 30 ASN C C 13 175.467 . . . . . . . 30 N C . 26761 1 107 . 1 1 30 30 ASN CA C 13 51.773 . . . . . . . 30 N CA . 26761 1 108 . 1 1 30 30 ASN CB C 13 39.763 . . . . . . . 30 N CB . 26761 1 109 . 1 1 31 31 MET H H 1 9.231 . . . . . . . 31 M H . 26761 1 110 . 1 1 31 31 MET C C 13 175.114 . . . . . . . 31 M C . 26761 1 111 . 1 1 31 31 MET CA C 13 56.413 . . . . . . . 31 M CA . 26761 1 112 . 1 1 31 31 MET CB C 13 34.354 . . . . . . . 31 M CB . 26761 1 113 . 1 1 31 31 MET N N 15 122.697 . . . . . . . 31 M N . 26761 1 114 . 1 1 32 32 GLY H H 1 7.586 . . . . . . . 32 G H . 26761 1 115 . 1 1 32 32 GLY C C 13 172.007 . . . . . . . 32 G C . 26761 1 116 . 1 1 32 32 GLY CA C 13 43.261 . . . . . . . 32 G CA . 26761 1 117 . 1 1 32 32 GLY N N 15 114.546 . . . . . . . 32 G N . 26761 1 118 . 1 1 33 33 SER H H 1 8.154 . . . . . . . 33 S H . 26761 1 119 . 1 1 33 33 SER C C 13 175.031 . . . . . . . 33 S C . 26761 1 120 . 1 1 33 33 SER CA C 13 59.034 . . . . . . . 33 S CA . 26761 1 121 . 1 1 33 33 SER CB C 13 63.583 . . . . . . . 33 S CB . 26761 1 122 . 1 1 33 33 SER N N 15 112.901 . . . . . . . 33 S N . 26761 1 123 . 1 1 34 34 GLY H H 1 8.507 . . . . . . . 34 G H . 26761 1 124 . 1 1 34 34 GLY C C 13 173.675 . . . . . . . 34 G C . 26761 1 125 . 1 1 34 34 GLY CA C 13 47.603 . . . . . . . 34 G CA . 26761 1 126 . 1 1 34 34 GLY N N 15 111.757 . . . . . . . 34 G N . 26761 1 127 . 1 1 35 35 GLY H H 1 8.995 . . . . . . . 35 G H . 26761 1 128 . 1 1 35 35 GLY C C 13 175.528 . . . . . . . 35 G C . 26761 1 129 . 1 1 35 35 GLY CA C 13 45.161 . . . . . . . 35 G CA . 26761 1 130 . 1 1 35 35 GLY N N 15 117.754 . . . . . . . 35 G N . 26761 1 131 . 1 1 36 36 GLN H H 1 7.744 . . . . . . . 36 Q H . 26761 1 132 . 1 1 36 36 GLN C C 13 178.711 . . . . . . . 36 Q C . 26761 1 133 . 1 1 36 36 GLN CA C 13 56.652 . . . . . . . 36 Q CA . 26761 1 134 . 1 1 36 36 GLN CB C 13 29.832 . . . . . . . 36 Q CB . 26761 1 135 . 1 1 36 36 GLN N N 15 120.197 . . . . . . . 36 Q N . 26761 1 136 . 1 1 37 37 TYR H H 1 9.856 . . . . . . . 37 Y H . 26761 1 137 . 1 1 37 37 TYR C C 13 170.967 . . . . . . . 37 Y C . 26761 1 138 . 1 1 37 37 TYR CA C 13 57.442 . . . . . . . 37 Y CA . 26761 1 139 . 1 1 37 37 TYR CB C 13 42.092 . . . . . . . 37 Y CB . 26761 1 140 . 1 1 37 37 TYR N N 15 127.116 . . . . . . . 37 Y N . 26761 1 141 . 1 1 38 38 SER H H 1 9.590 . . . . . . . 38 S H . 26761 1 142 . 1 1 38 38 SER C C 13 174.312 . . . . . . . 38 S C . 26761 1 143 . 1 1 38 38 SER CA C 13 56.471 . . . . . . . 38 S CA . 26761 1 144 . 1 1 38 38 SER CB C 13 66.470 . . . . . . . 38 S CB . 26761 1 145 . 1 1 38 38 SER N N 15 115.473 . . . . . . . 38 S N . 26761 1 146 . 1 1 39 39 THR H H 1 9.572 . . . . . . . 39 T H . 26761 1 147 . 1 1 39 39 THR C C 13 175.074 . . . . . . . 39 T C . 26761 1 148 . 1 1 39 39 THR CA C 13 60.656 . . . . . . . 39 T CA . 26761 1 149 . 1 1 39 39 THR CB C 13 73.182 . . . . . . . 39 T CB . 26761 1 150 . 1 1 39 39 THR N N 15 111.348 . . . . . . . 39 T N . 26761 1 151 . 1 1 40 40 SER H H 1 8.089 . . . . . . . 40 S H . 26761 1 152 . 1 1 40 40 SER C C 13 173.008 . . . . . . . 40 S C . 26761 1 153 . 1 1 40 40 SER CA C 13 57.555 . . . . . . . 40 S CA . 26761 1 154 . 1 1 40 40 SER CB C 13 64.846 . . . . . . . 40 S CB . 26761 1 155 . 1 1 40 40 SER N N 15 115.241 . . . . . . . 40 S N . 26761 1 156 . 1 1 41 41 TRP H H 1 9.137 . . . . . . . 41 W H . 26761 1 157 . 1 1 41 41 TRP C C 13 174.815 . . . . . . . 41 W C . 26761 1 158 . 1 1 41 41 TRP CB C 13 33.017 . . . . . . . 41 W CB . 26761 1 159 . 1 1 41 41 TRP N N 15 126.931 . . . . . . . 41 W N . 26761 1 160 . 1 1 48 48 VAL C C 13 174.599 . . . . . . . 48 V C . 26761 1 161 . 1 1 48 48 VAL CA C 13 62.156 . . . . . . . 48 V CA . 26761 1 162 . 1 1 48 48 VAL CB C 13 35.412 . . . . . . . 48 V CB . 26761 1 163 . 1 1 49 49 ALA H H 1 8.752 . . . . . . . 49 A H . 26761 1 164 . 1 1 49 49 ALA C C 13 175.309 . . . . . . . 49 A C . 26761 1 165 . 1 1 49 49 ALA CA C 13 50.575 . . . . . . . 49 A CA . 26761 1 166 . 1 1 49 49 ALA CB C 13 23.870 . . . . . . . 49 A CB . 26761 1 167 . 1 1 49 49 ALA N N 15 130.011 . . . . . . . 49 A N . 26761 1 168 . 1 1 50 50 GLY H H 1 7.975 . . . . . . . 50 G H . 26761 1 169 . 1 1 50 50 GLY C C 13 170.803 . . . . . . . 50 G C . 26761 1 170 . 1 1 50 50 GLY CA C 13 45.466 . . . . . . . 50 G CA . 26761 1 171 . 1 1 50 50 GLY N N 15 102.959 . . . . . . . 50 G N . 26761 1 172 . 1 1 51 51 LYS H H 1 5.872 . . . . . . . 51 K H . 26761 1 173 . 1 1 51 51 LYS C C 13 176.347 . . . . . . . 51 K C . 26761 1 174 . 1 1 51 51 LYS CA C 13 54.187 . . . . . . . 51 K CA . 26761 1 175 . 1 1 51 51 LYS N N 15 114.902 . . . . . . . 51 K N . 26761 1 176 . 1 1 52 52 GLY C C 13 170.435 . . . . . . . 52 G C . 26761 1 177 . 1 1 52 52 GLY CA C 13 47.984 . . . . . . . 52 G CA . 26761 1 178 . 1 1 53 53 TRP H H 1 9.592 . . . . . . . 53 W H . 26761 1 179 . 1 1 53 53 TRP C C 13 174.400 . . . . . . . 53 W C . 26761 1 180 . 1 1 53 53 TRP CA C 13 60.127 . . . . . . . 53 W CA . 26761 1 181 . 1 1 53 53 TRP CB C 13 33.141 . . . . . . . 53 W CB . 26761 1 182 . 1 1 53 53 TRP N N 15 129.153 . . . . . . . 53 W N . 26761 1 183 . 1 1 54 54 ALA H H 1 8.889 . . . . . . . 54 A H . 26761 1 184 . 1 1 54 54 ALA C C 13 176.462 . . . . . . . 54 A C . 26761 1 185 . 1 1 54 54 ALA CA C 13 53.605 . . . . . . . 54 A CA . 26761 1 186 . 1 1 54 54 ALA CB C 13 18.607 . . . . . . . 54 A CB . 26761 1 187 . 1 1 54 54 ALA N N 15 124.484 . . . . . . . 54 A N . 26761 1 188 . 1 1 55 55 ASN H H 1 7.400 . . . . . . . 55 N H . 26761 1 189 . 1 1 55 55 ASN C C 13 175.492 . . . . . . . 55 N C . 26761 1 190 . 1 1 55 55 ASN CA C 13 52.126 . . . . . . . 55 N CA . 26761 1 191 . 1 1 55 55 ASN CB C 13 42.449 . . . . . . . 55 N CB . 26761 1 192 . 1 1 55 55 ASN N N 15 109.616 . . . . . . . 55 N N . 26761 1 193 . 1 1 56 56 GLY H H 1 7.689 . . . . . . . 56 G H . 26761 1 194 . 1 1 56 56 GLY C C 13 169.745 . . . . . . . 56 G C . 26761 1 195 . 1 1 56 56 GLY CA C 13 45.862 . . . . . . . 56 G CA . 26761 1 196 . 1 1 56 56 GLY N N 15 104.830 . . . . . . . 56 G N . 26761 1 197 . 1 1 57 57 GLY C C 13 172.227 . . . . . . . 57 G C . 26761 1 198 . 1 1 57 57 GLY CA C 13 43.893 . . . . . . . 57 G CA . 26761 1 199 . 1 1 58 58 ARG H H 1 8.302 . . . . . . . 58 R H . 26761 1 200 . 1 1 58 58 ARG C C 13 174.736 . . . . . . . 58 R C . 26761 1 201 . 1 1 58 58 ARG CA C 13 56.300 . . . . . . . 58 R CA . 26761 1 202 . 1 1 58 58 ARG CB C 13 29.090 . . . . . . . 58 R CB . 26761 1 203 . 1 1 58 58 ARG N N 15 120.589 . . . . . . . 58 R N . 26761 1 204 . 1 1 59 59 ARG H H 1 8.269 . . . . . . . 59 R H . 26761 1 205 . 1 1 59 59 ARG C C 13 174.123 . . . . . . . 59 R C . 26761 1 206 . 1 1 59 59 ARG CA C 13 55.168 . . . . . . . 59 R CA . 26761 1 207 . 1 1 59 59 ARG CB C 13 33.408 . . . . . . . 59 R CB . 26761 1 208 . 1 1 59 59 ARG N N 15 125.764 . . . . . . . 59 R N . 26761 1 209 . 1 1 60 60 THR H H 1 8.734 . . . . . . . 60 T H . 26761 1 210 . 1 1 60 60 THR CA C 13 61.989 . . . . . . . 60 T CA . 26761 1 211 . 1 1 60 60 THR CB C 13 68.157 . . . . . . . 60 T CB . 26761 1 212 . 1 1 60 60 THR N N 15 120.055 . . . . . . . 60 T N . 26761 1 213 . 1 1 61 61 VAL H H 1 9.117 . . . . . . . 61 V H . 26761 1 214 . 1 1 61 61 VAL CA C 13 62.403 . . . . . . . 61 V CA . 26761 1 215 . 1 1 61 61 VAL CB C 13 33.152 . . . . . . . 61 V CB . 26761 1 216 . 1 1 61 61 VAL N N 15 130.708 . . . . . . . 61 V N . 26761 1 217 . 1 1 62 62 GLN H H 1 8.867 . . . . . . . 62 Q H . 26761 1 218 . 1 1 62 62 GLN C C 13 174.724 . . . . . . . 62 Q C . 26761 1 219 . 1 1 62 62 GLN CA C 13 54.343 . . . . . . . 62 Q CA . 26761 1 220 . 1 1 62 62 GLN CB C 13 31.145 . . . . . . . 62 Q CB . 26761 1 221 . 1 1 62 62 GLN N N 15 127.244 . . . . . . . 62 Q N . 26761 1 222 . 1 1 63 63 TYR H H 1 9.062 . . . . . . . 63 Y H . 26761 1 223 . 1 1 63 63 TYR C C 13 173.176 . . . . . . . 63 Y C . 26761 1 224 . 1 1 63 63 TYR CA C 13 56.310 . . . . . . . 63 Y CA . 26761 1 225 . 1 1 63 63 TYR CB C 13 41.784 . . . . . . . 63 Y CB . 26761 1 226 . 1 1 63 63 TYR N N 15 120.872 . . . . . . . 63 Y N . 26761 1 227 . 1 1 64 64 SER H H 1 8.612 . . . . . . . 64 S H . 26761 1 228 . 1 1 64 64 SER C C 13 172.545 . . . . . . . 64 S C . 26761 1 229 . 1 1 64 64 SER CA C 13 56.910 . . . . . . . 64 S CA . 26761 1 230 . 1 1 64 64 SER CB C 13 66.173 . . . . . . . 64 S CB . 26761 1 231 . 1 1 64 64 SER N N 15 115.013 . . . . . . . 64 S N . 26761 1 232 . 1 1 65 65 GLY H H 1 8.606 . . . . . . . 65 G H . 26761 1 233 . 1 1 65 65 GLY C C 13 171.598 . . . . . . . 65 G C . 26761 1 234 . 1 1 65 65 GLY N N 15 106.397 . . . . . . . 65 G N . 26761 1 235 . 1 1 66 66 SER C C 13 172.340 . . . . . . . 66 S C . 26761 1 236 . 1 1 66 66 SER CA C 13 56.975 . . . . . . . 66 S CA . 26761 1 237 . 1 1 66 66 SER CB C 13 66.136 . . . . . . . 66 S CB . 26761 1 238 . 1 1 67 67 PHE H H 1 8.863 . . . . . . . 67 F H . 26761 1 239 . 1 1 67 67 PHE CA C 13 57.774 . . . . . . . 67 F CA . 26761 1 240 . 1 1 67 67 PHE CB C 13 42.765 . . . . . . . 67 F CB . 26761 1 241 . 1 1 67 67 PHE N N 15 125.233 . . . . . . . 67 F N . 26761 1 242 . 1 1 68 68 ASN H H 1 8.539 . . . . . . . 68 N H . 26761 1 243 . 1 1 68 68 ASN C C 13 172.101 . . . . . . . 68 N C . 26761 1 244 . 1 1 68 68 ASN CA C 13 51.168 . . . . . . . 68 N CA . 26761 1 245 . 1 1 68 68 ASN CB C 13 39.829 . . . . . . . 68 N CB . 26761 1 246 . 1 1 68 68 ASN N N 15 123.590 . . . . . . . 68 N N . 26761 1 247 . 1 1 75 75 LEU C C 13 175.136 . . . . . . . 75 L C . 26761 1 248 . 1 1 75 75 LEU CA C 13 53.629 . . . . . . . 75 L CA . 26761 1 249 . 1 1 75 75 LEU CB C 13 43.217 . . . . . . . 75 L CB . 26761 1 250 . 1 1 76 76 ALA H H 1 9.058 . . . . . . . 76 A H . 26761 1 251 . 1 1 76 76 ALA C C 13 175.273 . . . . . . . 76 A C . 26761 1 252 . 1 1 76 76 ALA CA C 13 50.228 . . . . . . . 76 A CA . 26761 1 253 . 1 1 76 76 ALA CB C 13 24.414 . . . . . . . 76 A CB . 26761 1 254 . 1 1 76 76 ALA N N 15 127.822 . . . . . . . 76 A N . 26761 1 255 . 1 1 77 77 LEU H H 1 9.043 . . . . . . . 77 L H . 26761 1 256 . 1 1 77 77 LEU C C 13 175.847 . . . . . . . 77 L C . 26761 1 257 . 1 1 77 77 LEU CA C 13 54.542 . . . . . . . 77 L CA . 26761 1 258 . 1 1 77 77 LEU CB C 13 42.391 . . . . . . . 77 L CB . 26761 1 259 . 1 1 77 77 LEU N N 15 126.870 . . . . . . . 77 L N . 26761 1 260 . 1 1 78 78 TYR H H 1 9.483 . . . . . . . 78 Y H . 26761 1 261 . 1 1 78 78 TYR C C 13 173.052 . . . . . . . 78 Y C . 26761 1 262 . 1 1 78 78 TYR CA C 13 55.939 . . . . . . . 78 Y CA . 26761 1 263 . 1 1 78 78 TYR CB C 13 44.654 . . . . . . . 78 Y CB . 26761 1 264 . 1 1 78 78 TYR N N 15 131.056 . . . . . . . 78 Y N . 26761 1 265 . 1 1 79 79 GLY H H 1 6.574 . . . . . . . 79 G H . 26761 1 266 . 1 1 79 79 GLY C C 13 168.813 . . . . . . . 79 G C . 26761 1 267 . 1 1 79 79 GLY CA C 13 45.752 . . . . . . . 79 G CA . 26761 1 268 . 1 1 79 79 GLY N N 15 112.661 . . . . . . . 79 G N . 26761 1 269 . 1 1 80 80 TRP C C 13 178.020 . . . . . . . 80 W C . 26761 1 270 . 1 1 80 80 TRP CA C 13 54.770 . . . . . . . 80 W CA . 26761 1 271 . 1 1 80 80 TRP CB C 13 34.167 . . . . . . . 80 W CB . 26761 1 272 . 1 1 81 81 THR H H 1 9.120 . . . . . . . 81 T H . 26761 1 273 . 1 1 81 81 THR C C 13 172.150 . . . . . . . 81 T C . 26761 1 274 . 1 1 81 81 THR CA C 13 60.133 . . . . . . . 81 T CA . 26761 1 275 . 1 1 81 81 THR CB C 13 72.040 . . . . . . . 81 T CB . 26761 1 276 . 1 1 81 81 THR N N 15 111.885 . . . . . . . 81 T N . 26761 1 277 . 1 1 82 82 SER H H 1 8.385 . . . . . . . 82 S H . 26761 1 278 . 1 1 82 82 SER C C 13 174.770 . . . . . . . 82 S C . 26761 1 279 . 1 1 82 82 SER CA C 13 56.017 . . . . . . . 82 S CA . 26761 1 280 . 1 1 82 82 SER CB C 13 65.956 . . . . . . . 82 S CB . 26761 1 281 . 1 1 82 82 SER N N 15 109.375 . . . . . . . 82 S N . 26761 1 282 . 1 1 83 83 ASN H H 1 8.812 . . . . . . . 83 N H . 26761 1 283 . 1 1 83 83 ASN C C 13 172.709 . . . . . . . 83 N C . 26761 1 284 . 1 1 83 83 ASN CA C 13 54.196 . . . . . . . 83 N CA . 26761 1 285 . 1 1 83 83 ASN CB C 13 37.978 . . . . . . . 83 N CB . 26761 1 286 . 1 1 83 83 ASN N N 15 117.776 . . . . . . . 83 N N . 26761 1 287 . 1 1 84 84 PRO C C 13 175.187 . . . . . . . 84 P C . 26761 1 288 . 1 1 84 84 PRO CA C 13 62.541 . . . . . . . 84 P CA . 26761 1 289 . 1 1 84 84 PRO CB C 13 34.861 . . . . . . . 84 P CB . 26761 1 290 . 1 1 84 84 PRO N N 15 112.146 . . . . . . . 84 P N . 26761 1 291 . 1 1 85 85 LEU H H 1 8.049 . . . . . . . 85 L H . 26761 1 292 . 1 1 85 85 LEU C C 13 174.588 . . . . . . . 85 L C . 26761 1 293 . 1 1 85 85 LEU CA C 13 54.421 . . . . . . . 85 L CA . 26761 1 294 . 1 1 85 85 LEU CB C 13 41.632 . . . . . . . 85 L CB . 26761 1 295 . 1 1 85 85 LEU N N 15 122.378 . . . . . . . 85 L N . 26761 1 296 . 1 1 86 86 VAL H H 1 7.375 . . . . . . . 86 V H . 26761 1 297 . 1 1 86 86 VAL C C 13 173.217 . . . . . . . 86 V C . 26761 1 298 . 1 1 86 86 VAL CA C 13 60.773 . . . . . . . 86 V CA . 26761 1 299 . 1 1 86 86 VAL CB C 13 36.326 . . . . . . . 86 V CB . 26761 1 300 . 1 1 86 86 VAL N N 15 129.404 . . . . . . . 86 V N . 26761 1 301 . 1 1 87 87 GLU H H 1 7.545 . . . . . . . 87 E H . 26761 1 302 . 1 1 87 87 GLU CA C 13 53.292 . . . . . . . 87 E CA . 26761 1 303 . 1 1 87 87 GLU CB C 13 31.965 . . . . . . . 87 E CB . 26761 1 304 . 1 1 87 87 GLU N N 15 129.230 . . . . . . . 87 E N . 26761 1 305 . 1 1 88 88 TYR C C 13 171.732 . . . . . . . 88 Y C . 26761 1 306 . 1 1 88 88 TYR CA C 13 54.512 . . . . . . . 88 Y CA . 26761 1 307 . 1 1 88 88 TYR CB C 13 42.335 . . . . . . . 88 Y CB . 26761 1 308 . 1 1 89 89 TYR H H 1 8.284 . . . . . . . 89 Y H . 26761 1 309 . 1 1 89 89 TYR C C 13 176.541 . . . . . . . 89 Y C . 26761 1 310 . 1 1 89 89 TYR CA C 13 56.740 . . . . . . . 89 Y CA . 26761 1 311 . 1 1 89 89 TYR CB C 13 44.965 . . . . . . . 89 Y CB . 26761 1 312 . 1 1 89 89 TYR N N 15 114.716 . . . . . . . 89 Y N . 26761 1 313 . 1 1 90 90 ILE H H 1 9.718 . . . . . . . 90 I H . 26761 1 314 . 1 1 90 90 ILE C C 13 175.425 . . . . . . . 90 I C . 26761 1 315 . 1 1 90 90 ILE CA C 13 61.495 . . . . . . . 90 I CA . 26761 1 316 . 1 1 90 90 ILE CB C 13 38.942 . . . . . . . 90 I CB . 26761 1 317 . 1 1 90 90 ILE N N 15 122.721 . . . . . . . 90 I N . 26761 1 318 . 1 1 91 91 VAL H H 1 9.984 . . . . . . . 91 V H . 26761 1 319 . 1 1 91 91 VAL C C 13 175.189 . . . . . . . 91 V C . 26761 1 320 . 1 1 91 91 VAL CA C 13 62.480 . . . . . . . 91 V CA . 26761 1 321 . 1 1 91 91 VAL CB C 13 33.809 . . . . . . . 91 V CB . 26761 1 322 . 1 1 91 91 VAL N N 15 125.588 . . . . . . . 91 V N . 26761 1 323 . 1 1 92 92 ASP H H 1 8.189 . . . . . . . 92 D H . 26761 1 324 . 1 1 92 92 ASP C C 13 174.298 . . . . . . . 92 D C . 26761 1 325 . 1 1 92 92 ASP CA C 13 54.644 . . . . . . . 92 D CA . 26761 1 326 . 1 1 92 92 ASP CB C 13 43.061 . . . . . . . 92 D CB . 26761 1 327 . 1 1 92 92 ASP N N 15 128.101 . . . . . . . 92 D N . 26761 1 328 . 1 1 93 93 ASN H H 1 8.252 . . . . . . . 93 N H . 26761 1 329 . 1 1 93 93 ASN C C 13 172.651 . . . . . . . 93 N C . 26761 1 330 . 1 1 93 93 ASN CA C 13 51.463 . . . . . . . 93 N CA . 26761 1 331 . 1 1 93 93 ASN CB C 13 41.371 . . . . . . . 93 N CB . 26761 1 332 . 1 1 93 93 ASN N N 15 115.486 . . . . . . . 93 N N . 26761 1 333 . 1 1 94 94 TRP H H 1 9.438 . . . . . . . 94 W H . 26761 1 334 . 1 1 94 94 TRP C C 13 174.398 . . . . . . . 94 W C . 26761 1 335 . 1 1 94 94 TRP CA C 13 56.984 . . . . . . . 94 W CA . 26761 1 336 . 1 1 94 94 TRP CB C 13 30.484 . . . . . . . 94 W CB . 26761 1 337 . 1 1 94 94 TRP N N 15 122.030 . . . . . . . 94 W N . 26761 1 338 . 1 1 95 95 GLY H H 1 9.155 . . . . . . . 95 G H . 26761 1 339 . 1 1 95 95 GLY C C 13 175.282 . . . . . . . 95 G C . 26761 1 340 . 1 1 95 95 GLY CA C 13 44.536 . . . . . . . 95 G CA . 26761 1 341 . 1 1 95 95 GLY N N 15 109.421 . . . . . . . 95 G N . 26761 1 342 . 1 1 96 96 THR H H 1 7.907 . . . . . . . 96 T H . 26761 1 343 . 1 1 96 96 THR C C 13 174.796 . . . . . . . 96 T C . 26761 1 344 . 1 1 96 96 THR CA C 13 63.760 . . . . . . . 96 T CA . 26761 1 345 . 1 1 96 96 THR CB C 13 68.567 . . . . . . . 96 T CB . 26761 1 346 . 1 1 96 96 THR N N 15 116.653 . . . . . . . 96 T N . 26761 1 347 . 1 1 97 97 TYR H H 1 8.375 . . . . . . . 97 Y H . 26761 1 348 . 1 1 97 97 TYR C C 13 173.308 . . . . . . . 97 Y C . 26761 1 349 . 1 1 97 97 TYR CA C 13 56.446 . . . . . . . 97 Y CA . 26761 1 350 . 1 1 97 97 TYR CB C 13 40.554 . . . . . . . 97 Y CB . 26761 1 351 . 1 1 97 97 TYR N N 15 121.765 . . . . . . . 97 Y N . 26761 1 352 . 1 1 98 98 ARG H H 1 8.161 . . . . . . . 98 R H . 26761 1 353 . 1 1 98 98 ARG C C 13 172.031 . . . . . . . 98 R C . 26761 1 354 . 1 1 98 98 ARG CA C 13 52.392 . . . . . . . 98 R CA . 26761 1 355 . 1 1 98 98 ARG CB C 13 31.082 . . . . . . . 98 R CB . 26761 1 356 . 1 1 98 98 ARG N N 15 131.846 . . . . . . . 98 R N . 26761 1 357 . 1 1 99 99 PRO C C 13 173.286 . . . . . . . 99 P C . 26761 1 358 . 1 1 99 99 PRO CA C 13 62.857 . . . . . . . 99 P CA . 26761 1 359 . 1 1 99 99 PRO CB C 13 30.772 . . . . . . . 99 P CB . 26761 1 360 . 1 1 100 100 THR H H 1 6.099 . . . . . . . 100 T H . 26761 1 361 . 1 1 100 100 THR C C 13 172.195 . . . . . . . 100 T C . 26761 1 362 . 1 1 100 100 THR CA C 13 58.285 . . . . . . . 100 T CA . 26761 1 363 . 1 1 100 100 THR CB C 13 70.439 . . . . . . . 100 T CB . 26761 1 364 . 1 1 100 100 THR N N 15 108.666 . . . . . . . 100 T N . 26761 1 365 . 1 1 101 101 GLY H H 1 6.140 . . . . . . . 101 G H . 26761 1 366 . 1 1 101 101 GLY C C 13 171.939 . . . . . . . 101 G C . 26761 1 367 . 1 1 101 101 GLY CA C 13 45.909 . . . . . . . 101 G CA . 26761 1 368 . 1 1 101 101 GLY N N 15 107.705 . . . . . . . 101 G N . 26761 1 369 . 1 1 102 102 GLU H H 1 8.585 . . . . . . . 102 E H . 26761 1 370 . 1 1 102 102 GLU C C 13 176.411 . . . . . . . 102 E C . 26761 1 371 . 1 1 102 102 GLU CA C 13 56.676 . . . . . . . 102 E CA . 26761 1 372 . 1 1 102 102 GLU CB C 13 29.419 . . . . . . . 102 E CB . 26761 1 373 . 1 1 102 102 GLU N N 15 125.477 . . . . . . . 102 E N . 26761 1 374 . 1 1 103 103 TYR H H 1 9.063 . . . . . . . 103 Y H . 26761 1 375 . 1 1 103 103 TYR C C 13 176.965 . . . . . . . 103 Y C . 26761 1 376 . 1 1 103 103 TYR CA C 13 59.342 . . . . . . . 103 Y CA . 26761 1 377 . 1 1 103 103 TYR N N 15 129.389 . . . . . . . 103 Y N . 26761 1 378 . 1 1 104 104 LYS H H 1 8.592 . . . . . . . 104 K H . 26761 1 379 . 1 1 104 104 LYS C C 13 175.265 . . . . . . . 104 K C . 26761 1 380 . 1 1 104 104 LYS CA C 13 53.502 . . . . . . . 104 K CA . 26761 1 381 . 1 1 104 104 LYS CB C 13 33.639 . . . . . . . 104 K CB . 26761 1 382 . 1 1 104 104 LYS N N 15 126.044 . . . . . . . 104 K N . 26761 1 383 . 1 1 105 105 GLY H H 1 5.593 . . . . . . . 105 G H . 26761 1 384 . 1 1 105 105 GLY C C 13 170.428 . . . . . . . 105 G C . 26761 1 385 . 1 1 105 105 GLY CA C 13 44.176 . . . . . . . 105 G CA . 26761 1 386 . 1 1 105 105 GLY N N 15 105.501 . . . . . . . 105 G N . 26761 1 387 . 1 1 106 106 THR H H 1 7.916 . . . . . . . 106 T H . 26761 1 388 . 1 1 106 106 THR C C 13 174.009 . . . . . . . 106 T C . 26761 1 389 . 1 1 106 106 THR CA C 13 59.716 . . . . . . . 106 T CA . 26761 1 390 . 1 1 106 106 THR CB C 13 73.849 . . . . . . . 106 T CB . 26761 1 391 . 1 1 106 106 THR N N 15 107.688 . . . . . . . 106 T N . 26761 1 392 . 1 1 107 107 VAL H H 1 9.186 . . . . . . . 107 V H . 26761 1 393 . 1 1 107 107 VAL C C 13 172.861 . . . . . . . 107 V C . 26761 1 394 . 1 1 107 107 VAL CB C 13 34.536 . . . . . . . 107 V CB . 26761 1 395 . 1 1 107 107 VAL N N 15 118.485 . . . . . . . 107 V N . 26761 1 396 . 1 1 108 108 THR H H 1 8.730 . . . . . . . 108 T H . 26761 1 397 . 1 1 108 108 THR C C 13 173.962 . . . . . . . 108 T C . 26761 1 398 . 1 1 108 108 THR CA C 13 61.094 . . . . . . . 108 T CA . 26761 1 399 . 1 1 108 108 THR CB C 13 69.612 . . . . . . . 108 T CB . 26761 1 400 . 1 1 108 108 THR N N 15 125.804 . . . . . . . 108 T N . 26761 1 401 . 1 1 109 109 SER H H 1 9.080 . . . . . . . 109 S H . 26761 1 402 . 1 1 109 109 SER CA C 13 58.600 . . . . . . . 109 S CA . 26761 1 403 . 1 1 109 109 SER CB C 13 64.387 . . . . . . . 109 S CB . 26761 1 404 . 1 1 109 109 SER N N 15 119.829 . . . . . . . 109 S N . 26761 1 405 . 1 1 111 111 GLY C C 13 173.855 . . . . . . . 111 G C . 26761 1 406 . 1 1 111 111 GLY CA C 13 45.541 . . . . . . . 111 G CA . 26761 1 407 . 1 1 112 112 GLY H H 1 7.985 . . . . . . . 112 G H . 26761 1 408 . 1 1 112 112 GLY C C 13 171.194 . . . . . . . 112 G C . 26761 1 409 . 1 1 112 112 GLY CA C 13 43.869 . . . . . . . 112 G CA . 26761 1 410 . 1 1 112 112 GLY N N 15 108.317 . . . . . . . 112 G N . 26761 1 411 . 1 1 113 113 THR H H 1 8.345 . . . . . . . 113 T H . 26761 1 412 . 1 1 113 113 THR C C 13 172.379 . . . . . . . 113 T C . 26761 1 413 . 1 1 113 113 THR CA C 13 62.567 . . . . . . . 113 T CA . 26761 1 414 . 1 1 113 113 THR CB C 13 70.419 . . . . . . . 113 T CB . 26761 1 415 . 1 1 113 113 THR N N 15 116.148 . . . . . . . 113 T N . 26761 1 416 . 1 1 114 114 TYR H H 1 9.796 . . . . . . . 114 Y H . 26761 1 417 . 1 1 114 114 TYR C C 13 175.405 . . . . . . . 114 Y C . 26761 1 418 . 1 1 114 114 TYR CA C 13 55.955 . . . . . . . 114 Y CA . 26761 1 419 . 1 1 114 114 TYR CB C 13 39.671 . . . . . . . 114 Y CB . 26761 1 420 . 1 1 114 114 TYR N N 15 125.865 . . . . . . . 114 Y N . 26761 1 421 . 1 1 115 115 ASP H H 1 8.998 . . . . . . . 115 D H . 26761 1 422 . 1 1 115 115 ASP C C 13 174.468 . . . . . . . 115 D C . 26761 1 423 . 1 1 115 115 ASP CA C 13 54.623 . . . . . . . 115 D CA . 26761 1 424 . 1 1 115 115 ASP CB C 13 45.476 . . . . . . . 115 D CB . 26761 1 425 . 1 1 115 115 ASP N N 15 122.072 . . . . . . . 115 D N . 26761 1 426 . 1 1 116 116 ILE H H 1 8.522 . . . . . . . 116 I H . 26761 1 427 . 1 1 116 116 ILE C C 13 175.134 . . . . . . . 116 I C . 26761 1 428 . 1 1 116 116 ILE CA C 13 59.504 . . . . . . . 116 I CA . 26761 1 429 . 1 1 116 116 ILE N N 15 121.726 . . . . . . . 116 I N . 26761 1 430 . 1 1 117 117 TYR H H 1 9.214 . . . . . . . 117 Y H . 26761 1 431 . 1 1 117 117 TYR C C 13 173.812 . . . . . . . 117 Y C . 26761 1 432 . 1 1 117 117 TYR CA C 13 54.551 . . . . . . . 117 Y CA . 26761 1 433 . 1 1 117 117 TYR CB C 13 43.318 . . . . . . . 117 Y CB . 26761 1 434 . 1 1 117 117 TYR N N 15 122.394 . . . . . . . 117 Y N . 26761 1 435 . 1 1 118 118 LYS H H 1 8.493 . . . . . . . 118 K H . 26761 1 436 . 1 1 118 118 LYS C C 13 176.423 . . . . . . . 118 K C . 26761 1 437 . 1 1 118 118 LYS CA C 13 55.014 . . . . . . . 118 K CA . 26761 1 438 . 1 1 118 118 LYS CB C 13 37.425 . . . . . . . 118 K CB . 26761 1 439 . 1 1 118 118 LYS N N 15 120.442 . . . . . . . 118 K N . 26761 1 440 . 1 1 119 119 THR H H 1 9.356 . . . . . . . 119 T H . 26761 1 441 . 1 1 119 119 THR C C 13 173.319 . . . . . . . 119 T C . 26761 1 442 . 1 1 119 119 THR CA C 13 61.098 . . . . . . . 119 T CA . 26761 1 443 . 1 1 119 119 THR CB C 13 72.323 . . . . . . . 119 T CB . 26761 1 444 . 1 1 119 119 THR N N 15 118.942 . . . . . . . 119 T N . 26761 1 445 . 1 1 120 120 THR H H 1 8.576 . . . . . . . 120 T H . 26761 1 446 . 1 1 120 120 THR C C 13 173.588 . . . . . . . 120 T C . 26761 1 447 . 1 1 120 120 THR CA C 13 62.670 . . . . . . . 120 T CA . 26761 1 448 . 1 1 120 120 THR CB C 13 72.392 . . . . . . . 120 T CB . 26761 1 449 . 1 1 120 120 THR N N 15 115.597 . . . . . . . 120 T N . 26761 1 450 . 1 1 121 121 ARG H H 1 8.966 . . . . . . . 121 R H . 26761 1 451 . 1 1 121 121 ARG C C 13 173.156 . . . . . . . 121 R C . 26761 1 452 . 1 1 121 121 ARG CA C 13 52.983 . . . . . . . 121 R CA . 26761 1 453 . 1 1 121 121 ARG CB C 13 29.828 . . . . . . . 121 R CB . 26761 1 454 . 1 1 121 121 ARG N N 15 127.866 . . . . . . . 121 R N . 26761 1 455 . 1 1 122 122 VAL H H 1 8.359 . . . . . . . 122 V H . 26761 1 456 . 1 1 122 122 VAL C C 13 175.428 . . . . . . . 122 V C . 26761 1 457 . 1 1 122 122 VAL CA C 13 61.193 . . . . . . . 122 V CA . 26761 1 458 . 1 1 122 122 VAL CB C 13 32.326 . . . . . . . 122 V CB . 26761 1 459 . 1 1 122 122 VAL N N 15 122.431 . . . . . . . 122 V N . 26761 1 460 . 1 1 123 123 ASN H H 1 8.174 . . . . . . . 123 N H . 26761 1 461 . 1 1 123 123 ASN C C 13 173.647 . . . . . . . 123 N C . 26761 1 462 . 1 1 123 123 ASN CA C 13 54.194 . . . . . . . 123 N CA . 26761 1 463 . 1 1 123 123 ASN CB C 13 37.514 . . . . . . . 123 N CB . 26761 1 464 . 1 1 123 123 ASN N N 15 127.033 . . . . . . . 123 N N . 26761 1 465 . 1 1 124 124 LYS H H 1 8.729 . . . . . . . 124 K H . 26761 1 466 . 1 1 124 124 LYS C C 13 173.460 . . . . . . . 124 K C . 26761 1 467 . 1 1 124 124 LYS CA C 13 51.460 . . . . . . . 124 K CA . 26761 1 468 . 1 1 124 124 LYS CB C 13 33.815 . . . . . . . 124 K CB . 26761 1 469 . 1 1 124 124 LYS N N 15 119.177 . . . . . . . 124 K N . 26761 1 470 . 1 1 127 127 VAL C C 13 175.066 . . . . . . . 127 V C . 26761 1 471 . 1 1 127 127 VAL CA C 13 62.474 . . . . . . . 127 V CA . 26761 1 472 . 1 1 127 127 VAL CB C 13 30.203 . . . . . . . 127 V CB . 26761 1 473 . 1 1 128 128 GLU H H 1 7.603 . . . . . . . 128 E H . 26761 1 474 . 1 1 128 128 GLU C C 13 174.673 . . . . . . . 128 E C . 26761 1 475 . 1 1 128 128 GLU CA C 13 54.782 . . . . . . . 128 E CA . 26761 1 476 . 1 1 128 128 GLU N N 15 118.984 . . . . . . . 128 E N . 26761 1 477 . 1 1 129 129 GLY H H 1 7.001 . . . . . . . 129 G H . 26761 1 478 . 1 1 129 129 GLY C C 13 175.341 . . . . . . . 129 G C . 26761 1 479 . 1 1 129 129 GLY CA C 13 43.728 . . . . . . . 129 G CA . 26761 1 480 . 1 1 129 129 GLY N N 15 107.284 . . . . . . . 129 G N . 26761 1 481 . 1 1 130 130 THR H H 1 8.932 . . . . . . . 130 T H . 26761 1 482 . 1 1 130 130 THR C C 13 175.503 . . . . . . . 130 T C . 26761 1 483 . 1 1 130 130 THR CA C 13 64.135 . . . . . . . 130 T CA . 26761 1 484 . 1 1 130 130 THR N N 15 122.099 . . . . . . . 130 T N . 26761 1 485 . 1 1 131 131 ARG H H 1 9.118 . . . . . . . 131 R H . 26761 1 486 . 1 1 131 131 ARG C C 13 174.405 . . . . . . . 131 R C . 26761 1 487 . 1 1 131 131 ARG CA C 13 53.662 . . . . . . . 131 R CA . 26761 1 488 . 1 1 131 131 ARG CB C 13 36.885 . . . . . . . 131 R CB . 26761 1 489 . 1 1 131 131 ARG N N 15 130.482 . . . . . . . 131 R N . 26761 1 490 . 1 1 134 134 ASP C C 13 174.234 . . . . . . . 134 D C . 26761 1 491 . 1 1 134 134 ASP CA C 13 53.426 . . . . . . . 134 D CA . 26761 1 492 . 1 1 134 134 ASP CB C 13 43.427 . . . . . . . 134 D CB . 26761 1 493 . 1 1 135 135 GLN H H 1 8.841 . . . . . . . 135 Q H . 26761 1 494 . 1 1 135 135 GLN C C 13 175.322 . . . . . . . 135 Q C . 26761 1 495 . 1 1 135 135 GLN CA C 13 52.949 . . . . . . . 135 Q CA . 26761 1 496 . 1 1 135 135 GLN CB C 13 31.162 . . . . . . . 135 Q CB . 26761 1 497 . 1 1 135 135 GLN N N 15 115.465 . . . . . . . 135 Q N . 26761 1 498 . 1 1 136 136 TYR H H 1 7.903 . . . . . . . 136 Y H . 26761 1 499 . 1 1 136 136 TYR C C 13 173.616 . . . . . . . 136 Y C . 26761 1 500 . 1 1 136 136 TYR CA C 13 51.610 . . . . . . . 136 Y CA . 26761 1 501 . 1 1 136 136 TYR CB C 13 37.617 . . . . . . . 136 Y CB . 26761 1 502 . 1 1 136 136 TYR N N 15 122.252 . . . . . . . 136 Y N . 26761 1 503 . 1 1 137 137 TRP H H 1 8.511 . . . . . . . 137 W H . 26761 1 504 . 1 1 137 137 TRP C C 13 177.142 . . . . . . . 137 W C . 26761 1 505 . 1 1 137 137 TRP CA C 13 55.383 . . . . . . . 137 W CA . 26761 1 506 . 1 1 137 137 TRP CB C 13 31.911 . . . . . . . 137 W CB . 26761 1 507 . 1 1 137 137 TRP N N 15 118.027 . . . . . . . 137 W N . 26761 1 508 . 1 1 138 138 SER H H 1 9.337 . . . . . . . 138 S H . 26761 1 509 . 1 1 138 138 SER C C 13 175.090 . . . . . . . 138 S C . 26761 1 510 . 1 1 138 138 SER CA C 13 57.995 . . . . . . . 138 S CA . 26761 1 511 . 1 1 138 138 SER CB C 13 66.320 . . . . . . . 138 S CB . 26761 1 512 . 1 1 138 138 SER N N 15 120.678 . . . . . . . 138 S N . 26761 1 513 . 1 1 139 139 VAL H H 1 10.436 . . . . . . . 139 V H . 26761 1 514 . 1 1 139 139 VAL C C 13 175.142 . . . . . . . 139 V C . 26761 1 515 . 1 1 139 139 VAL CA C 13 61.254 . . . . . . . 139 V CA . 26761 1 516 . 1 1 139 139 VAL CB C 13 34.781 . . . . . . . 139 V CB . 26761 1 517 . 1 1 139 139 VAL N N 15 124.974 . . . . . . . 139 V N . 26761 1 518 . 1 1 140 140 ARG H H 1 9.204 . . . . . . . 140 R H . 26761 1 519 . 1 1 140 140 ARG C C 13 177.343 . . . . . . . 140 R C . 26761 1 520 . 1 1 140 140 ARG CA C 13 59.092 . . . . . . . 140 R CA . 26761 1 521 . 1 1 140 140 ARG CB C 13 29.930 . . . . . . . 140 R CB . 26761 1 522 . 1 1 140 140 ARG N N 15 135.131 . . . . . . . 140 R N . 26761 1 523 . 1 1 141 141 GLN H H 1 8.807 . . . . . . . 141 Q H . 26761 1 524 . 1 1 141 141 GLN C C 13 176.629 . . . . . . . 141 Q C . 26761 1 525 . 1 1 141 141 GLN CB C 13 27.865 . . . . . . . 141 Q CB . 26761 1 526 . 1 1 141 141 GLN N N 15 120.828 . . . . . . . 141 Q N . 26761 1 527 . 1 1 142 142 SER H H 1 7.597 . . . . . . . 142 S H . 26761 1 528 . 1 1 142 142 SER C C 13 173.508 . . . . . . . 142 S C . 26761 1 529 . 1 1 142 142 SER CA C 13 56.745 . . . . . . . 142 S CA . 26761 1 530 . 1 1 142 142 SER CB C 13 65.085 . . . . . . . 142 S CB . 26761 1 531 . 1 1 142 142 SER N N 15 111.227 . . . . . . . 142 S N . 26761 1 532 . 1 1 143 143 LYS H H 1 8.445 . . . . . . . 143 K H . 26761 1 533 . 1 1 143 143 LYS C C 13 177.493 . . . . . . . 143 K C . 26761 1 534 . 1 1 143 143 LYS CA C 13 57.665 . . . . . . . 143 K CA . 26761 1 535 . 1 1 143 143 LYS CB C 13 33.954 . . . . . . . 143 K CB . 26761 1 536 . 1 1 143 143 LYS N N 15 124.596 . . . . . . . 143 K N . 26761 1 537 . 1 1 144 144 ARG H H 1 8.945 . . . . . . . 144 R H . 26761 1 538 . 1 1 144 144 ARG C C 13 173.399 . . . . . . . 144 R C . 26761 1 539 . 1 1 144 144 ARG CA C 13 55.919 . . . . . . . 144 R CA . 26761 1 540 . 1 1 144 144 ARG CB C 13 34.065 . . . . . . . 144 R CB . 26761 1 541 . 1 1 144 144 ARG N N 15 119.903 . . . . . . . 144 R N . 26761 1 542 . 1 1 145 145 THR H H 1 8.597 . . . . . . . 145 T H . 26761 1 543 . 1 1 145 145 THR C C 13 173.888 . . . . . . . 145 T C . 26761 1 544 . 1 1 145 145 THR CA C 13 61.562 . . . . . . . 145 T CA . 26761 1 545 . 1 1 145 145 THR CB C 13 68.416 . . . . . . . 145 T CB . 26761 1 546 . 1 1 145 145 THR N N 15 116.383 . . . . . . . 145 T N . 26761 1 547 . 1 1 146 146 GLY H H 1 7.309 . . . . . . . 146 G H . 26761 1 548 . 1 1 146 146 GLY C C 13 171.535 . . . . . . . 146 G C . 26761 1 549 . 1 1 146 146 GLY CA C 13 44.025 . . . . . . . 146 G CA . 26761 1 550 . 1 1 146 146 GLY N N 15 114.535 . . . . . . . 146 G N . 26761 1 551 . 1 1 147 147 GLY H H 1 7.643 . . . . . . . 147 G H . 26761 1 552 . 1 1 147 147 GLY C C 13 171.330 . . . . . . . 147 G C . 26761 1 553 . 1 1 147 147 GLY CA C 13 44.120 . . . . . . . 147 G CA . 26761 1 554 . 1 1 147 147 GLY N N 15 108.008 . . . . . . . 147 G N . 26761 1 555 . 1 1 148 148 THR H H 1 8.226 . . . . . . . 148 T H . 26761 1 556 . 1 1 148 148 THR C C 13 175.124 . . . . . . . 148 T C . 26761 1 557 . 1 1 148 148 THR CA C 13 60.383 . . . . . . . 148 T CA . 26761 1 558 . 1 1 148 148 THR CB C 13 71.060 . . . . . . . 148 T CB . 26761 1 559 . 1 1 148 148 THR N N 15 114.602 . . . . . . . 148 T N . 26761 1 560 . 1 1 149 149 ILE H H 1 9.599 . . . . . . . 149 I H . 26761 1 561 . 1 1 149 149 ILE C C 13 174.897 . . . . . . . 149 I C . 26761 1 562 . 1 1 149 149 ILE CA C 13 60.596 . . . . . . . 149 I CA . 26761 1 563 . 1 1 149 149 ILE CB C 13 41.868 . . . . . . . 149 I CB . 26761 1 564 . 1 1 149 149 ILE N N 15 124.867 . . . . . . . 149 I N . 26761 1 565 . 1 1 150 150 THR H H 1 9.862 . . . . . . . 150 T H . 26761 1 566 . 1 1 150 150 THR C C 13 176.988 . . . . . . . 150 T C . 26761 1 567 . 1 1 150 150 THR CA C 13 62.017 . . . . . . . 150 T CA . 26761 1 568 . 1 1 150 150 THR CB C 13 66.562 . . . . . . . 150 T CB . 26761 1 569 . 1 1 150 150 THR N N 15 129.331 . . . . . . . 150 T N . 26761 1 570 . 1 1 151 151 THR H H 1 8.540 . . . . . . . 151 T H . 26761 1 571 . 1 1 151 151 THR C C 13 175.954 . . . . . . . 151 T C . 26761 1 572 . 1 1 151 151 THR CA C 13 66.529 . . . . . . . 151 T CA . 26761 1 573 . 1 1 151 151 THR CB C 13 66.914 . . . . . . . 151 T CB . 26761 1 574 . 1 1 151 151 THR N N 15 118.686 . . . . . . . 151 T N . 26761 1 575 . 1 1 152 152 GLY H H 1 8.790 . . . . . . . 152 G H . 26761 1 576 . 1 1 152 152 GLY C C 13 174.563 . . . . . . . 152 G C . 26761 1 577 . 1 1 152 152 GLY CA C 13 46.302 . . . . . . . 152 G CA . 26761 1 578 . 1 1 152 152 GLY N N 15 106.875 . . . . . . . 152 G N . 26761 1 579 . 1 1 153 153 ASN H H 1 6.717 . . . . . . . 153 N H . 26761 1 580 . 1 1 153 153 ASN C C 13 178.703 . . . . . . . 153 N C . 26761 1 581 . 1 1 153 153 ASN CB C 13 35.975 . . . . . . . 153 N CB . 26761 1 582 . 1 1 153 153 ASN N N 15 116.107 . . . . . . . 153 N N . 26761 1 583 . 1 1 154 154 HIS H H 1 6.429 . . . . . . . 154 H H . 26761 1 584 . 1 1 154 154 HIS C C 13 174.916 . . . . . . . 154 H C . 26761 1 585 . 1 1 154 154 HIS CA C 13 59.321 . . . . . . . 154 H CA . 26761 1 586 . 1 1 154 154 HIS CB C 13 30.283 . . . . . . . 154 H CB . 26761 1 587 . 1 1 154 154 HIS N N 15 121.264 . . . . . . . 154 H N . 26761 1 588 . 1 1 155 155 PHE H H 1 7.642 . . . . . . . 155 F H . 26761 1 589 . 1 1 155 155 PHE C C 13 179.812 . . . . . . . 155 F C . 26761 1 590 . 1 1 155 155 PHE CA C 13 57.014 . . . . . . . 155 F CA . 26761 1 591 . 1 1 155 155 PHE CB C 13 36.409 . . . . . . . 155 F CB . 26761 1 592 . 1 1 155 155 PHE N N 15 116.666 . . . . . . . 155 F N . 26761 1 593 . 1 1 156 156 ASP H H 1 8.337 . . . . . . . 156 D H . 26761 1 594 . 1 1 156 156 ASP C C 13 178.016 . . . . . . . 156 D C . 26761 1 595 . 1 1 156 156 ASP CA C 13 56.971 . . . . . . . 156 D CA . 26761 1 596 . 1 1 156 156 ASP CB C 13 39.666 . . . . . . . 156 D CB . 26761 1 597 . 1 1 156 156 ASP N N 15 118.888 . . . . . . . 156 D N . 26761 1 598 . 1 1 157 157 ALA H H 1 7.096 . . . . . . . 157 A H . 26761 1 599 . 1 1 157 157 ALA C C 13 180.847 . . . . . . . 157 A C . 26761 1 600 . 1 1 157 157 ALA CA C 13 55.021 . . . . . . . 157 A CA . 26761 1 601 . 1 1 157 157 ALA CB C 13 18.500 . . . . . . . 157 A CB . 26761 1 602 . 1 1 157 157 ALA N N 15 124.318 . . . . . . . 157 A N . 26761 1 603 . 1 1 158 158 TRP H H 1 8.910 . . . . . . . 158 W H . 26761 1 604 . 1 1 158 158 TRP C C 13 178.592 . . . . . . . 158 W C . 26761 1 605 . 1 1 158 158 TRP CA C 13 57.830 . . . . . . . 158 W CA . 26761 1 606 . 1 1 158 158 TRP CB C 13 27.171 . . . . . . . 158 W CB . 26761 1 607 . 1 1 158 158 TRP N N 15 120.824 . . . . . . . 158 W N . 26761 1 608 . 1 1 159 159 ALA H H 1 8.163 . . . . . . . 159 A H . 26761 1 609 . 1 1 159 159 ALA C C 13 182.559 . . . . . . . 159 A C . 26761 1 610 . 1 1 159 159 ALA CA C 13 55.784 . . . . . . . 159 A CA . 26761 1 611 . 1 1 159 159 ALA CB C 13 17.647 . . . . . . . 159 A CB . 26761 1 612 . 1 1 159 159 ALA N N 15 122.372 . . . . . . . 159 A N . 26761 1 613 . 1 1 160 160 ARG H H 1 7.989 . . . . . . . 160 R H . 26761 1 614 . 1 1 160 160 ARG C C 13 177.004 . . . . . . . 160 R C . 26761 1 615 . 1 1 160 160 ARG CA C 13 59.006 . . . . . . . 160 R CA . 26761 1 616 . 1 1 160 160 ARG CB C 13 30.372 . . . . . . . 160 R CB . 26761 1 617 . 1 1 160 160 ARG N N 15 119.327 . . . . . . . 160 R N . 26761 1 618 . 1 1 161 161 ALA H H 1 7.576 . . . . . . . 161 A H . 26761 1 619 . 1 1 161 161 ALA C C 13 176.673 . . . . . . . 161 A C . 26761 1 620 . 1 1 161 161 ALA CA C 13 51.504 . . . . . . . 161 A CA . 26761 1 621 . 1 1 161 161 ALA CB C 13 18.610 . . . . . . . 161 A CB . 26761 1 622 . 1 1 161 161 ALA N N 15 121.504 . . . . . . . 161 A N . 26761 1 623 . 1 1 162 162 GLY H H 1 7.703 . . . . . . . 162 G H . 26761 1 624 . 1 1 162 162 GLY C C 13 174.156 . . . . . . . 162 G C . 26761 1 625 . 1 1 162 162 GLY CA C 13 46.011 . . . . . . . 162 G CA . 26761 1 626 . 1 1 162 162 GLY N N 15 106.137 . . . . . . . 162 G N . 26761 1 627 . 1 1 163 163 MET H H 1 7.956 . . . . . . . 163 M H . 26761 1 628 . 1 1 163 163 MET C C 13 171.269 . . . . . . . 163 M C . 26761 1 629 . 1 1 163 163 MET CA C 13 52.860 . . . . . . . 163 M CA . 26761 1 630 . 1 1 163 163 MET CB C 13 33.170 . . . . . . . 163 M CB . 26761 1 631 . 1 1 163 163 MET N N 15 121.400 . . . . . . . 163 M N . 26761 1 632 . 1 1 164 164 PRO C C 13 177.669 . . . . . . . 164 P C . 26761 1 633 . 1 1 164 164 PRO CA C 13 62.292 . . . . . . . 164 P CA . 26761 1 634 . 1 1 164 164 PRO CB C 13 32.721 . . . . . . . 164 P CB . 26761 1 635 . 1 1 165 165 LEU H H 1 8.385 . . . . . . . 165 L H . 26761 1 636 . 1 1 165 165 LEU C C 13 177.309 . . . . . . . 165 L C . 26761 1 637 . 1 1 165 165 LEU CA C 13 53.095 . . . . . . . 165 L CA . 26761 1 638 . 1 1 165 165 LEU CB C 13 44.607 . . . . . . . 165 L CB . 26761 1 639 . 1 1 165 165 LEU N N 15 123.171 . . . . . . . 165 L N . 26761 1 640 . 1 1 166 166 GLY H H 1 6.694 . . . . . . . 166 G H . 26761 1 641 . 1 1 166 166 GLY C C 13 172.518 . . . . . . . 166 G C . 26761 1 642 . 1 1 166 166 GLY CA C 13 43.527 . . . . . . . 166 G CA . 26761 1 643 . 1 1 166 166 GLY N N 15 105.593 . . . . . . . 166 G N . 26761 1 644 . 1 1 167 167 ASN H H 1 8.749 . . . . . . . 167 N H . 26761 1 645 . 1 1 167 167 ASN C C 13 177.687 . . . . . . . 167 N C . 26761 1 646 . 1 1 167 167 ASN CA C 13 52.670 . . . . . . . 167 N CA . 26761 1 647 . 1 1 167 167 ASN CB C 13 39.531 . . . . . . . 167 N CB . 26761 1 648 . 1 1 167 167 ASN N N 15 116.777 . . . . . . . 167 N N . 26761 1 649 . 1 1 168 168 PHE H H 1 8.921 . . . . . . . 168 F H . 26761 1 650 . 1 1 168 168 PHE C C 13 176.413 . . . . . . . 168 F C . 26761 1 651 . 1 1 168 168 PHE CA C 13 57.883 . . . . . . . 168 F CA . 26761 1 652 . 1 1 168 168 PHE CB C 13 37.225 . . . . . . . 168 F CB . 26761 1 653 . 1 1 168 168 PHE N N 15 126.301 . . . . . . . 168 F N . 26761 1 654 . 1 1 169 169 SER H H 1 8.109 . . . . . . . 169 S H . 26761 1 655 . 1 1 169 169 SER C C 13 171.911 . . . . . . . 169 S C . 26761 1 656 . 1 1 169 169 SER CA C 13 58.604 . . . . . . . 169 S CA . 26761 1 657 . 1 1 169 169 SER CB C 13 63.205 . . . . . . . 169 S CB . 26761 1 658 . 1 1 169 169 SER N N 15 116.692 . . . . . . . 169 S N . 26761 1 659 . 1 1 170 170 TYR H H 1 6.674 . . . . . . . 170 Y H . 26761 1 660 . 1 1 170 170 TYR C C 13 173.517 . . . . . . . 170 Y C . 26761 1 661 . 1 1 170 170 TYR CA C 13 55.158 . . . . . . . 170 Y CA . 26761 1 662 . 1 1 170 170 TYR CB C 13 41.952 . . . . . . . 170 Y CB . 26761 1 663 . 1 1 170 170 TYR N N 15 116.061 . . . . . . . 170 Y N . 26761 1 664 . 1 1 171 171 TYR H H 1 6.626 . . . . . . . 171 Y H . 26761 1 665 . 1 1 171 171 TYR C C 13 173.898 . . . . . . . 171 Y C . 26761 1 666 . 1 1 171 171 TYR CA C 13 56.494 . . . . . . . 171 Y CA . 26761 1 667 . 1 1 171 171 TYR N N 15 114.816 . . . . . . . 171 Y N . 26761 1 668 . 1 1 172 172 MET H H 1 8.400 . . . . . . . 172 M H . 26761 1 669 . 1 1 172 172 MET C C 13 170.991 . . . . . . . 172 M C . 26761 1 670 . 1 1 172 172 MET CA C 13 59.229 . . . . . . . 172 M CA . 26761 1 671 . 1 1 172 172 MET CB C 13 38.020 . . . . . . . 172 M CB . 26761 1 672 . 1 1 172 172 MET N N 15 119.967 . . . . . . . 172 M N . 26761 1 673 . 1 1 173 173 ILE H H 1 7.195 . . . . . . . 173 I H . 26761 1 674 . 1 1 173 173 ILE C C 13 177.705 . . . . . . . 173 I C . 26761 1 675 . 1 1 173 173 ILE CA C 13 52.896 . . . . . . . 173 I CA . 26761 1 676 . 1 1 173 173 ILE N N 15 122.997 . . . . . . . 173 I N . 26761 1 677 . 1 1 174 174 MET H H 1 8.914 . . . . . . . 174 M H . 26761 1 678 . 1 1 174 174 MET C C 13 174.989 . . . . . . . 174 M C . 26761 1 679 . 1 1 174 174 MET CA C 13 54.009 . . . . . . . 174 M CA . 26761 1 680 . 1 1 174 174 MET CB C 13 31.159 . . . . . . . 174 M CB . 26761 1 681 . 1 1 174 174 MET N N 15 123.037 . . . . . . . 174 M N . 26761 1 682 . 1 1 175 175 ALA H H 1 9.772 . . . . . . . 175 A H . 26761 1 683 . 1 1 175 175 ALA C C 13 176.508 . . . . . . . 175 A C . 26761 1 684 . 1 1 175 175 ALA CA C 13 52.189 . . . . . . . 175 A CA . 26761 1 685 . 1 1 175 175 ALA CB C 13 22.119 . . . . . . . 175 A CB . 26761 1 686 . 1 1 175 175 ALA N N 15 134.525 . . . . . . . 175 A N . 26761 1 687 . 1 1 176 176 THR H H 1 8.900 . . . . . . . 176 T H . 26761 1 688 . 1 1 176 176 THR C C 13 172.087 . . . . . . . 176 T C . 26761 1 689 . 1 1 176 176 THR CA C 13 62.453 . . . . . . . 176 T CA . 26761 1 690 . 1 1 176 176 THR CB C 13 70.793 . . . . . . . 176 T CB . 26761 1 691 . 1 1 176 176 THR N N 15 114.848 . . . . . . . 176 T N . 26761 1 692 . 1 1 177 177 GLU C C 13 173.485 . . . . . . . 177 E C . 26761 1 693 . 1 1 177 177 GLU CA C 13 52.615 . . . . . . . 177 E CA . 26761 1 694 . 1 1 177 177 GLU CB C 13 30.849 . . . . . . . 177 E CB . 26761 1 695 . 1 1 178 178 GLY H H 1 6.261 . . . . . . . 178 G H . 26761 1 696 . 1 1 178 178 GLY C C 13 171.248 . . . . . . . 178 G C . 26761 1 697 . 1 1 178 178 GLY CA C 13 43.577 . . . . . . . 178 G CA . 26761 1 698 . 1 1 178 178 GLY N N 15 109.078 . . . . . . . 178 G N . 26761 1 699 . 1 1 179 179 TYR H H 1 7.464 . . . . . . . 179 Y H . 26761 1 700 . 1 1 179 179 TYR C C 13 173.787 . . . . . . . 179 Y C . 26761 1 701 . 1 1 179 179 TYR CA C 13 55.932 . . . . . . . 179 Y CA . 26761 1 702 . 1 1 179 179 TYR CB C 13 40.605 . . . . . . . 179 Y CB . 26761 1 703 . 1 1 179 179 TYR N N 15 121.422 . . . . . . . 179 Y N . 26761 1 704 . 1 1 183 183 GLY C C 13 170.180 . . . . . . . 183 G C . 26761 1 705 . 1 1 183 183 GLY CA C 13 44.644 . . . . . . . 183 G CA . 26761 1 706 . 1 1 184 184 SER H H 1 6.673 . . . . . . . 184 S H . 26761 1 707 . 1 1 184 184 SER C C 13 172.974 . . . . . . . 184 S C . 26761 1 708 . 1 1 184 184 SER CA C 13 57.564 . . . . . . . 184 S CA . 26761 1 709 . 1 1 184 184 SER CB C 13 66.356 . . . . . . . 184 S CB . 26761 1 710 . 1 1 184 184 SER N N 15 111.382 . . . . . . . 184 S N . 26761 1 711 . 1 1 185 185 SER H H 1 8.931 . . . . . . . 185 S H . 26761 1 712 . 1 1 185 185 SER C C 13 173.168 . . . . . . . 185 S C . 26761 1 713 . 1 1 185 185 SER CA C 13 57.359 . . . . . . . 185 S CA . 26761 1 714 . 1 1 185 185 SER CB C 13 67.208 . . . . . . . 185 S CB . 26761 1 715 . 1 1 185 185 SER N N 15 114.129 . . . . . . . 185 S N . 26761 1 716 . 1 1 186 186 SER H H 1 8.912 . . . . . . . 186 S H . 26761 1 717 . 1 1 186 186 SER C C 13 172.547 . . . . . . . 186 S C . 26761 1 718 . 1 1 186 186 SER CB C 13 63.359 . . . . . . . 186 S CB . 26761 1 719 . 1 1 186 186 SER N N 15 116.345 . . . . . . . 186 S N . 26761 1 720 . 1 1 187 187 ILE C C 13 172.784 . . . . . . . 187 I C . 26761 1 721 . 1 1 187 187 ILE CA C 13 56.980 . . . . . . . 187 I CA . 26761 1 722 . 1 1 187 187 ILE CB C 13 39.675 . . . . . . . 187 I CB . 26761 1 723 . 1 1 188 188 ASN H H 1 9.056 . . . . . . . 188 N H . 26761 1 724 . 1 1 188 188 ASN C C 13 175.170 . . . . . . . 188 N C . 26761 1 725 . 1 1 188 188 ASN CA C 13 51.815 . . . . . . . 188 N CA . 26761 1 726 . 1 1 188 188 ASN CB C 13 39.918 . . . . . . . 188 N CB . 26761 1 727 . 1 1 188 188 ASN N N 15 123.750 . . . . . . . 188 N N . 26761 1 728 . 1 1 189 189 VAL H H 1 8.139 . . . . . . . 189 V H . 26761 1 729 . 1 1 189 189 VAL C C 13 174.429 . . . . . . . 189 V C . 26761 1 730 . 1 1 189 189 VAL CA C 13 62.805 . . . . . . . 189 V CA . 26761 1 731 . 1 1 189 189 VAL CB C 13 32.625 . . . . . . . 189 V CB . 26761 1 732 . 1 1 189 189 VAL N N 15 126.661 . . . . . . . 189 V N . 26761 1 733 . 1 1 190 190 GLY H H 1 9.023 . . . . . . . 190 G H . 26761 1 734 . 1 1 190 190 GLY C C 13 173.449 . . . . . . . 190 G C . 26761 1 735 . 1 1 190 190 GLY CA C 13 45.206 . . . . . . . 190 G CA . 26761 1 736 . 1 1 190 190 GLY N N 15 113.272 . . . . . . . 190 G N . 26761 1 737 . 1 1 191 191 GLY H H 1 7.902 . . . . . . . 191 G H . 26761 1 738 . 1 1 191 191 GLY C C 13 178.705 . . . . . . . 191 G C . 26761 1 739 . 1 1 191 191 GLY N N 15 114.015 . . . . . . . 191 G N . 26761 1 stop_ save_