data_52697 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52697 _Entry.Title ; Tau151-391 PAD12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-11-13 _Entry.Accession_date 2024-11-13 _Entry.Last_release_date 2024-11-14 _Entry.Original_release_date 2024-11-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sofia Lovestam . . . . 52697 2 Jane Wagstaff . . . . 52697 3 Stefan Freund . . . . 52697 4 Sjors Scheres . . . . 52697 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52697 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 624 52697 '15N chemical shifts' 206 52697 '1H chemical shifts' 173 52697 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 . . 2026-05-13 . original BMRB . 52697 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52694 'Tau 297-441 wt' 52697 BMRB 52695 'Tau 297-441 PAD12' 52697 BMRB 52696 'Tau 151-391 WT' 52697 BMRB 53230 'Tau 297-441 delta' 52697 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52697 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Twelve phoshomimetic mutations induce the assembly of recombinant full-length human tau into paired helical filaments ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev elife _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Sofia Lovestam . . . . 52697 1 2 Jane Wagstaff . L. . . 52697 1 3 Taxiarchis Katinelos . . . . 52697 1 4 Stefan Freund . M.V. . . 52697 1 5 Michel Goedert . . . . 52697 1 6 Sjors Scheres . H.W. . . 52697 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52697 _Assembly.ID 1 _Assembly.Name 'Tau 151-391 PAD12' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Tau 151-391 PAD12' 1 $entity_1 . . yes native no no . . . 52697 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52697 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIATPRGAAPPGQKGQANAT RIPAKTPPAPKDPPSSGEPP KSGDRSGYSSPGDPGDPGSR SRDPDLPDPPTREPKKVAVV RDPPKDPSSAKSRLQTAPVP MPDLKNVKSKIGSTENLKHQ PGGGKVQIINKKLDLSNVQS KCGSKDNIKHVPGGGSVQIV YKPVDLSKVTSKCGSLGNIH HKPGGGQVEVKSEKLDFKDR VQSKIGSLDNITHVPGGGNK KIETHKLTFRENAKAKTDHG AE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue 2 of the construct is residue 151 of full length tau.' _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 242 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52697 1 2 . ILE . 52697 1 3 . ALA . 52697 1 4 . THR . 52697 1 5 . PRO . 52697 1 6 . ARG . 52697 1 7 . GLY . 52697 1 8 . ALA . 52697 1 9 . ALA . 52697 1 10 . PRO . 52697 1 11 . PRO . 52697 1 12 . GLY . 52697 1 13 . GLN . 52697 1 14 . LYS . 52697 1 15 . GLY . 52697 1 16 . GLN . 52697 1 17 . ALA . 52697 1 18 . ASN . 52697 1 19 . ALA . 52697 1 20 . THR . 52697 1 21 . ARG . 52697 1 22 . ILE . 52697 1 23 . PRO . 52697 1 24 . ALA . 52697 1 25 . LYS . 52697 1 26 . THR . 52697 1 27 . PRO . 52697 1 28 . PRO . 52697 1 29 . ALA . 52697 1 30 . PRO . 52697 1 31 . LYS . 52697 1 32 . ASP . 52697 1 33 . PRO . 52697 1 34 . PRO . 52697 1 35 . SER . 52697 1 36 . SER . 52697 1 37 . GLY . 52697 1 38 . GLU . 52697 1 39 . PRO . 52697 1 40 . PRO . 52697 1 41 . LYS . 52697 1 42 . SER . 52697 1 43 . GLY . 52697 1 44 . ASP . 52697 1 45 . ARG . 52697 1 46 . SER . 52697 1 47 . GLY . 52697 1 48 . TYR . 52697 1 49 . SER . 52697 1 50 . SER . 52697 1 51 . PRO . 52697 1 52 . GLY . 52697 1 53 . ASP . 52697 1 54 . PRO . 52697 1 55 . GLY . 52697 1 56 . ASP . 52697 1 57 . PRO . 52697 1 58 . GLY . 52697 1 59 . SER . 52697 1 60 . ARG . 52697 1 61 . SER . 52697 1 62 . ARG . 52697 1 63 . ASP . 52697 1 64 . PRO . 52697 1 65 . ASP . 52697 1 66 . LEU . 52697 1 67 . PRO . 52697 1 68 . ASP . 52697 1 69 . PRO . 52697 1 70 . PRO . 52697 1 71 . THR . 52697 1 72 . ARG . 52697 1 73 . GLU . 52697 1 74 . PRO . 52697 1 75 . LYS . 52697 1 76 . LYS . 52697 1 77 . VAL . 52697 1 78 . ALA . 52697 1 79 . VAL . 52697 1 80 . VAL . 52697 1 81 . ARG . 52697 1 82 . ASP . 52697 1 83 . PRO . 52697 1 84 . PRO . 52697 1 85 . LYS . 52697 1 86 . ASP . 52697 1 87 . PRO . 52697 1 88 . SER . 52697 1 89 . SER . 52697 1 90 . ALA . 52697 1 91 . LYS . 52697 1 92 . SER . 52697 1 93 . ARG . 52697 1 94 . LEU . 52697 1 95 . GLN . 52697 1 96 . THR . 52697 1 97 . ALA . 52697 1 98 . PRO . 52697 1 99 . VAL . 52697 1 100 . PRO . 52697 1 101 . MET . 52697 1 102 . PRO . 52697 1 103 . ASP . 52697 1 104 . LEU . 52697 1 105 . LYS . 52697 1 106 . ASN . 52697 1 107 . VAL . 52697 1 108 . LYS . 52697 1 109 . SER . 52697 1 110 . LYS . 52697 1 111 . ILE . 52697 1 112 . GLY . 52697 1 113 . SER . 52697 1 114 . THR . 52697 1 115 . GLU . 52697 1 116 . ASN . 52697 1 117 . LEU . 52697 1 118 . LYS . 52697 1 119 . HIS . 52697 1 120 . GLN . 52697 1 121 . PRO . 52697 1 122 . GLY . 52697 1 123 . GLY . 52697 1 124 . GLY . 52697 1 125 . LYS . 52697 1 126 . VAL . 52697 1 127 . GLN . 52697 1 128 . ILE . 52697 1 129 . ILE . 52697 1 130 . ASN . 52697 1 131 . LYS . 52697 1 132 . LYS . 52697 1 133 . LEU . 52697 1 134 . ASP . 52697 1 135 . LEU . 52697 1 136 . SER . 52697 1 137 . ASN . 52697 1 138 . VAL . 52697 1 139 . GLN . 52697 1 140 . SER . 52697 1 141 . LYS . 52697 1 142 . CYS . 52697 1 143 . GLY . 52697 1 144 . SER . 52697 1 145 . LYS . 52697 1 146 . ASP . 52697 1 147 . ASN . 52697 1 148 . ILE . 52697 1 149 . LYS . 52697 1 150 . HIS . 52697 1 151 . VAL . 52697 1 152 . PRO . 52697 1 153 . GLY . 52697 1 154 . GLY . 52697 1 155 . GLY . 52697 1 156 . SER . 52697 1 157 . VAL . 52697 1 158 . GLN . 52697 1 159 . ILE . 52697 1 160 . VAL . 52697 1 161 . TYR . 52697 1 162 . LYS . 52697 1 163 . PRO . 52697 1 164 . VAL . 52697 1 165 . ASP . 52697 1 166 . LEU . 52697 1 167 . SER . 52697 1 168 . LYS . 52697 1 169 . VAL . 52697 1 170 . THR . 52697 1 171 . SER . 52697 1 172 . LYS . 52697 1 173 . CYS . 52697 1 174 . GLY . 52697 1 175 . SER . 52697 1 176 . LEU . 52697 1 177 . GLY . 52697 1 178 . ASN . 52697 1 179 . ILE . 52697 1 180 . HIS . 52697 1 181 . HIS . 52697 1 182 . LYS . 52697 1 183 . PRO . 52697 1 184 . GLY . 52697 1 185 . GLY . 52697 1 186 . GLY . 52697 1 187 . GLN . 52697 1 188 . VAL . 52697 1 189 . GLU . 52697 1 190 . VAL . 52697 1 191 . LYS . 52697 1 192 . SER . 52697 1 193 . GLU . 52697 1 194 . LYS . 52697 1 195 . LEU . 52697 1 196 . ASP . 52697 1 197 . PHE . 52697 1 198 . LYS . 52697 1 199 . ASP . 52697 1 200 . ARG . 52697 1 201 . VAL . 52697 1 202 . GLN . 52697 1 203 . SER . 52697 1 204 . LYS . 52697 1 205 . ILE . 52697 1 206 . GLY . 52697 1 207 . SER . 52697 1 208 . LEU . 52697 1 209 . ASP . 52697 1 210 . ASN . 52697 1 211 . ILE . 52697 1 212 . THR . 52697 1 213 . HIS . 52697 1 214 . VAL . 52697 1 215 . PRO . 52697 1 216 . GLY . 52697 1 217 . GLY . 52697 1 218 . GLY . 52697 1 219 . ASN . 52697 1 220 . LYS . 52697 1 221 . LYS . 52697 1 222 . ILE . 52697 1 223 . GLU . 52697 1 224 . THR . 52697 1 225 . HIS . 52697 1 226 . LYS . 52697 1 227 . LEU . 52697 1 228 . THR . 52697 1 229 . PHE . 52697 1 230 . ARG . 52697 1 231 . GLU . 52697 1 232 . ASN . 52697 1 233 . ALA . 52697 1 234 . LYS . 52697 1 235 . ALA . 52697 1 236 . LYS . 52697 1 237 . THR . 52697 1 238 . ASP . 52697 1 239 . HIS . 52697 1 240 . GLY . 52697 1 241 . ALA . 52697 1 242 . GLU . 52697 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52697 1 . ILE 2 2 52697 1 . ALA 3 3 52697 1 . THR 4 4 52697 1 . PRO 5 5 52697 1 . ARG 6 6 52697 1 . GLY 7 7 52697 1 . ALA 8 8 52697 1 . ALA 9 9 52697 1 . PRO 10 10 52697 1 . PRO 11 11 52697 1 . GLY 12 12 52697 1 . GLN 13 13 52697 1 . LYS 14 14 52697 1 . GLY 15 15 52697 1 . GLN 16 16 52697 1 . ALA 17 17 52697 1 . ASN 18 18 52697 1 . ALA 19 19 52697 1 . THR 20 20 52697 1 . ARG 21 21 52697 1 . ILE 22 22 52697 1 . PRO 23 23 52697 1 . ALA 24 24 52697 1 . LYS 25 25 52697 1 . THR 26 26 52697 1 . PRO 27 27 52697 1 . PRO 28 28 52697 1 . ALA 29 29 52697 1 . PRO 30 30 52697 1 . LYS 31 31 52697 1 . ASP 32 32 52697 1 . PRO 33 33 52697 1 . PRO 34 34 52697 1 . SER 35 35 52697 1 . SER 36 36 52697 1 . GLY 37 37 52697 1 . GLU 38 38 52697 1 . PRO 39 39 52697 1 . PRO 40 40 52697 1 . LYS 41 41 52697 1 . SER 42 42 52697 1 . GLY 43 43 52697 1 . ASP 44 44 52697 1 . ARG 45 45 52697 1 . SER 46 46 52697 1 . GLY 47 47 52697 1 . TYR 48 48 52697 1 . SER 49 49 52697 1 . SER 50 50 52697 1 . PRO 51 51 52697 1 . GLY 52 52 52697 1 . ASP 53 53 52697 1 . PRO 54 54 52697 1 . GLY 55 55 52697 1 . ASP 56 56 52697 1 . PRO 57 57 52697 1 . GLY 58 58 52697 1 . SER 59 59 52697 1 . ARG 60 60 52697 1 . SER 61 61 52697 1 . ARG 62 62 52697 1 . ASP 63 63 52697 1 . PRO 64 64 52697 1 . ASP 65 65 52697 1 . LEU 66 66 52697 1 . PRO 67 67 52697 1 . ASP 68 68 52697 1 . PRO 69 69 52697 1 . PRO 70 70 52697 1 . THR 71 71 52697 1 . ARG 72 72 52697 1 . GLU 73 73 52697 1 . PRO 74 74 52697 1 . LYS 75 75 52697 1 . LYS 76 76 52697 1 . VAL 77 77 52697 1 . ALA 78 78 52697 1 . VAL 79 79 52697 1 . VAL 80 80 52697 1 . ARG 81 81 52697 1 . ASP 82 82 52697 1 . PRO 83 83 52697 1 . PRO 84 84 52697 1 . LYS 85 85 52697 1 . ASP 86 86 52697 1 . PRO 87 87 52697 1 . SER 88 88 52697 1 . SER 89 89 52697 1 . ALA 90 90 52697 1 . LYS 91 91 52697 1 . SER 92 92 52697 1 . ARG 93 93 52697 1 . LEU 94 94 52697 1 . GLN 95 95 52697 1 . THR 96 96 52697 1 . ALA 97 97 52697 1 . PRO 98 98 52697 1 . VAL 99 99 52697 1 . PRO 100 100 52697 1 . MET 101 101 52697 1 . PRO 102 102 52697 1 . ASP 103 103 52697 1 . LEU 104 104 52697 1 . LYS 105 105 52697 1 . ASN 106 106 52697 1 . VAL 107 107 52697 1 . LYS 108 108 52697 1 . SER 109 109 52697 1 . LYS 110 110 52697 1 . ILE 111 111 52697 1 . GLY 112 112 52697 1 . SER 113 113 52697 1 . THR 114 114 52697 1 . GLU 115 115 52697 1 . ASN 116 116 52697 1 . LEU 117 117 52697 1 . LYS 118 118 52697 1 . HIS 119 119 52697 1 . GLN 120 120 52697 1 . PRO 121 121 52697 1 . GLY 122 122 52697 1 . GLY 123 123 52697 1 . GLY 124 124 52697 1 . LYS 125 125 52697 1 . VAL 126 126 52697 1 . GLN 127 127 52697 1 . ILE 128 128 52697 1 . ILE 129 129 52697 1 . ASN 130 130 52697 1 . LYS 131 131 52697 1 . LYS 132 132 52697 1 . LEU 133 133 52697 1 . ASP 134 134 52697 1 . LEU 135 135 52697 1 . SER 136 136 52697 1 . ASN 137 137 52697 1 . VAL 138 138 52697 1 . GLN 139 139 52697 1 . SER 140 140 52697 1 . LYS 141 141 52697 1 . CYS 142 142 52697 1 . GLY 143 143 52697 1 . SER 144 144 52697 1 . LYS 145 145 52697 1 . ASP 146 146 52697 1 . ASN 147 147 52697 1 . ILE 148 148 52697 1 . LYS 149 149 52697 1 . HIS 150 150 52697 1 . VAL 151 151 52697 1 . PRO 152 152 52697 1 . GLY 153 153 52697 1 . GLY 154 154 52697 1 . GLY 155 155 52697 1 . SER 156 156 52697 1 . VAL 157 157 52697 1 . GLN 158 158 52697 1 . ILE 159 159 52697 1 . VAL 160 160 52697 1 . TYR 161 161 52697 1 . LYS 162 162 52697 1 . PRO 163 163 52697 1 . VAL 164 164 52697 1 . ASP 165 165 52697 1 . LEU 166 166 52697 1 . SER 167 167 52697 1 . LYS 168 168 52697 1 . VAL 169 169 52697 1 . THR 170 170 52697 1 . SER 171 171 52697 1 . LYS 172 172 52697 1 . CYS 173 173 52697 1 . GLY 174 174 52697 1 . SER 175 175 52697 1 . LEU 176 176 52697 1 . GLY 177 177 52697 1 . ASN 178 178 52697 1 . ILE 179 179 52697 1 . HIS 180 180 52697 1 . HIS 181 181 52697 1 . LYS 182 182 52697 1 . PRO 183 183 52697 1 . GLY 184 184 52697 1 . GLY 185 185 52697 1 . GLY 186 186 52697 1 . GLN 187 187 52697 1 . VAL 188 188 52697 1 . GLU 189 189 52697 1 . VAL 190 190 52697 1 . LYS 191 191 52697 1 . SER 192 192 52697 1 . GLU 193 193 52697 1 . LYS 194 194 52697 1 . LEU 195 195 52697 1 . ASP 196 196 52697 1 . PHE 197 197 52697 1 . LYS 198 198 52697 1 . ASP 199 199 52697 1 . ARG 200 200 52697 1 . VAL 201 201 52697 1 . GLN 202 202 52697 1 . SER 203 203 52697 1 . LYS 204 204 52697 1 . ILE 205 205 52697 1 . GLY 206 206 52697 1 . SER 207 207 52697 1 . LEU 208 208 52697 1 . ASP 209 209 52697 1 . ASN 210 210 52697 1 . ILE 211 211 52697 1 . THR 212 212 52697 1 . HIS 213 213 52697 1 . VAL 214 214 52697 1 . PRO 215 215 52697 1 . GLY 216 216 52697 1 . GLY 217 217 52697 1 . GLY 218 218 52697 1 . ASN 219 219 52697 1 . LYS 220 220 52697 1 . LYS 221 221 52697 1 . ILE 222 222 52697 1 . GLU 223 223 52697 1 . THR 224 224 52697 1 . HIS 225 225 52697 1 . LYS 226 226 52697 1 . LEU 227 227 52697 1 . THR 228 228 52697 1 . PHE 229 229 52697 1 . ARG 230 230 52697 1 . GLU 231 231 52697 1 . ASN 232 232 52697 1 . ALA 233 233 52697 1 . LYS 234 234 52697 1 . ALA 235 235 52697 1 . LYS 236 236 52697 1 . THR 237 237 52697 1 . ASP 238 238 52697 1 . HIS 239 239 52697 1 . GLY 240 240 52697 1 . ALA 241 241 52697 1 . GLU 242 242 52697 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52697 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52697 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52697 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'CodonPlus (DE3)-RIPL' . plasmid . . pRK172 . . . 52697 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52697 _Sample.ID 1 _Sample.Name '15N-13C Tau151-391 PAD12' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Tau 151-391 PAD12' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52697 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 52697 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52697 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52697 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 52697 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Assignment conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 52697 1 pressure 1 . atm 52697 1 temperature 278 . K 52697 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52697 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52697 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52697 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52697 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52697 _Software.ID 3 _Software.Type . _Software.Name 'NMRFx Processor' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52697 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52697 _Software.ID 4 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52697 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52697 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52697 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 3 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 5 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 6 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 7 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 8 '3D HNCOCANNH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 9 '3D C_HCACON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 10 '3D C_HCANCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52697 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' Tau_151-391_PAD12_HSQC.zip . 'Time-domain (raw spectral data)' . . 52697 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52697 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemcial shift reference' _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 na indirect 0.2514419530 . . . . . 52697 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52697 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329188 . . . . . 52697 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52697 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name tau-151-391_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52697 1 2 '3D HNCO' . . . 52697 1 3 '3D CBCA(CO)NH' . . . 52697 1 4 '3D HNCACB' . . . 52697 1 5 '3D HNCA' . . . 52697 1 6 '3D HN(CO)CA' . . . 52697 1 7 '3D HN(CA)CO' . . . 52697 1 8 '3D HNCOCANNH' . . . 52697 1 9 '3D C_HCACON' . . . 52697 1 10 '3D C_HCANCO' . . . 52697 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52697 1 4 $software_4 . . 52697 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ILE C C 13 175.621 0 . . . . . . . 2 I CO . 52697 1 2 . 1 . 1 2 2 ILE CA C 13 61.147 0 . . . . . . . 2 I CA . 52697 1 3 . 1 . 1 2 2 ILE CB C 13 38.817 0 . . . . . . . 2 I CB . 52697 1 4 . 1 . 1 3 3 ALA H H 1 8.286 0 . . . . . . . 3 A HN . 52697 1 5 . 1 . 1 3 3 ALA C C 13 177.5 0.014 . . . . . . . 3 A CO . 52697 1 6 . 1 . 1 3 3 ALA CA C 13 52.252 0.005 . . . . . . . 3 A CA . 52697 1 7 . 1 . 1 3 3 ALA CB C 13 19.358 0.009 . . . . . . . 3 A CB . 52697 1 8 . 1 . 1 3 3 ALA N N 15 129.066 0 . . . . . . . 3 A N . 52697 1 9 . 1 . 1 4 4 THR H H 1 8.036 0 . . . . . . . 4 T HN . 52697 1 10 . 1 . 1 4 4 THR C C 13 173.031 0.015 . . . . . . . 4 T CO . 52697 1 11 . 1 . 1 4 4 THR CA C 13 59.883 0.087 . . . . . . . 4 T CA . 52697 1 12 . 1 . 1 4 4 THR CB C 13 69.674 0.032 . . . . . . . 4 T CB . 52697 1 13 . 1 . 1 4 4 THR N N 15 117.246 0 . . . . . . . 4 T N . 52697 1 14 . 1 . 1 5 5 PRO C C 13 177.032 0.007 . . . . . . . 5 P CO . 52697 1 15 . 1 . 1 5 5 PRO CA C 13 63.209 0.067 . . . . . . . 5 P CA . 52697 1 16 . 1 . 1 5 5 PRO CB C 13 32.199 0.016 . . . . . . . 5 P CB . 52697 1 17 . 1 . 1 5 5 PRO N N 15 139.358 0 . . . . . . . 5 P N . 52697 1 18 . 1 . 1 6 6 ARG H H 1 8.317 0 . . . . . . . 6 R HN . 52697 1 19 . 1 . 1 6 6 ARG C C 13 177.225 0.002 . . . . . . . 6 R CO . 52697 1 20 . 1 . 1 6 6 ARG CA C 13 56.444 0.033 . . . . . . . 6 R CA . 52697 1 21 . 1 . 1 6 6 ARG CB C 13 30.743 0.065 . . . . . . . 6 R CB . 52697 1 22 . 1 . 1 6 6 ARG N N 15 122.038 0 . . . . . . . 6 R N . 52697 1 23 . 1 . 1 7 7 GLY H H 1 8.226 0 . . . . . . . 7 G HN . 52697 1 24 . 1 . 1 7 7 GLY C C 13 173.617 0 . . . . . . . 7 G CO . 52697 1 25 . 1 . 1 7 7 GLY CA C 13 45.048 0.007 . . . . . . . 7 G CA . 52697 1 26 . 1 . 1 7 7 GLY N N 15 110.521 0 . . . . . . . 7 G N . 52697 1 27 . 1 . 1 8 8 ALA H H 1 7.887 0 . . . . . . . 8 A HN . 52697 1 28 . 1 . 1 8 8 ALA C C 13 177.344 0.008 . . . . . . . 8 A CO . 52697 1 29 . 1 . 1 8 8 ALA CA C 13 52.057 0.011 . . . . . . . 8 A CA . 52697 1 30 . 1 . 1 8 8 ALA CB C 13 19.59 0.035 . . . . . . . 8 A CB . 52697 1 31 . 1 . 1 8 8 ALA N N 15 123.58 0 . . . . . . . 8 A N . 52697 1 32 . 1 . 1 9 9 ALA H H 1 8.109 0 . . . . . . . 9 A HN . 52697 1 33 . 1 . 1 9 9 ALA C C 13 175.166 0.015 . . . . . . . 9 A CO . 52697 1 34 . 1 . 1 9 9 ALA CA C 13 50.386 0.052 . . . . . . . 9 A CA . 52697 1 35 . 1 . 1 9 9 ALA CB C 13 18.021 0.005 . . . . . . . 9 A CB . 52697 1 36 . 1 . 1 9 9 ALA N N 15 125.066 0 . . . . . . . 9 A N . 52697 1 37 . 1 . 1 10 10 PRO C C 13 174.921 0.017 . . . . . . . 10 P CO . 52697 1 38 . 1 . 1 10 10 PRO CA C 13 61.32 0.044 . . . . . . . 10 P CA . 52697 1 39 . 1 . 1 10 10 PRO CB C 13 30.859 0.108 . . . . . . . 10 P CB . 52697 1 40 . 1 . 1 10 10 PRO N N 15 136.905 0 . . . . . . . 10 P N . 52697 1 41 . 1 . 1 11 11 PRO C C 13 177.823 0.024 . . . . . . . 11 P CO . 52697 1 42 . 1 . 1 11 11 PRO CA C 13 63.287 0.05 . . . . . . . 11 P CA . 52697 1 43 . 1 . 1 11 11 PRO CB C 13 31.938 0.164 . . . . . . . 11 P CB . 52697 1 44 . 1 . 1 11 11 PRO N N 15 135.258 0 . . . . . . . 11 P N . 52697 1 45 . 1 . 1 12 12 GLY H H 1 8.265 0 . . . . . . . 12 G HN . 52697 1 46 . 1 . 1 12 12 GLY C C 13 174.298 0.018 . . . . . . . 12 G CO . 52697 1 47 . 1 . 1 12 12 GLY CA C 13 45.245 0.002 . . . . . . . 12 G CA . 52697 1 48 . 1 . 1 12 12 GLY N N 15 108.975 0 . . . . . . . 12 G N . 52697 1 49 . 1 . 1 13 13 GLN H H 1 7.94 0 . . . . . . . 13 Q HN . 52697 1 50 . 1 . 1 13 13 GLN C C 13 176.326 0.01 . . . . . . . 13 Q CO . 52697 1 51 . 1 . 1 13 13 GLN CA C 13 55.778 0.019 . . . . . . . 13 Q CA . 52697 1 52 . 1 . 1 13 13 GLN CB C 13 29.701 0.009 . . . . . . . 13 Q CB . 52697 1 53 . 1 . 1 13 13 GLN N N 15 119.786 0 . . . . . . . 13 Q N . 52697 1 54 . 1 . 1 14 14 LYS H H 1 8.271 0 . . . . . . . 14 K HN . 52697 1 55 . 1 . 1 14 14 LYS C C 13 177.42 0.01 . . . . . . . 14 K CO . 52697 1 56 . 1 . 1 14 14 LYS CA C 13 56.746 0.003 . . . . . . . 14 K CA . 52697 1 57 . 1 . 1 14 14 LYS CB C 13 32.886 0.005 . . . . . . . 14 K CB . 52697 1 58 . 1 . 1 14 14 LYS N N 15 123.06 0 . . . . . . . 14 K N . 52697 1 59 . 1 . 1 15 15 GLY H H 1 8.276 0 . . . . . . . 15 G HN . 52697 1 60 . 1 . 1 15 15 GLY C C 13 174.219 0.013 . . . . . . . 15 G CO . 52697 1 61 . 1 . 1 15 15 GLY CA C 13 45.287 0.002 . . . . . . . 15 G CA . 52697 1 62 . 1 . 1 15 15 GLY N N 15 110.306 0 . . . . . . . 15 G N . 52697 1 63 . 1 . 1 16 16 GLN H H 1 7.991 0 . . . . . . . 16 Q HN . 52697 1 64 . 1 . 1 16 16 GLN C C 13 176.164 0.006 . . . . . . . 16 Q CO . 52697 1 65 . 1 . 1 16 16 GLN CA C 13 55.69 0.004 . . . . . . . 16 Q CA . 52697 1 66 . 1 . 1 16 16 GLN CB C 13 29.578 0.011 . . . . . . . 16 Q CB . 52697 1 67 . 1 . 1 16 16 GLN N N 15 119.768 0 . . . . . . . 16 Q N . 52697 1 68 . 1 . 1 17 17 ALA H H 1 8.229 0 . . . . . . . 17 A HN . 52697 1 69 . 1 . 1 17 17 ALA C C 13 177.803 0.008 . . . . . . . 17 A CO . 52697 1 70 . 1 . 1 17 17 ALA CA C 13 52.901 0.012 . . . . . . . 17 A CA . 52697 1 71 . 1 . 1 17 17 ALA CB C 13 19.004 0.044 . . . . . . . 17 A CB . 52697 1 72 . 1 . 1 17 17 ALA N N 15 125.358 0 . . . . . . . 17 A N . 52697 1 73 . 1 . 1 18 18 ASN H H 1 8.193 0 . . . . . . . 18 N HN . 52697 1 74 . 1 . 1 18 18 ASN C C 13 175.237 0.011 . . . . . . . 18 N CO . 52697 1 75 . 1 . 1 18 18 ASN CA C 13 53.307 0.018 . . . . . . . 18 N CA . 52697 1 76 . 1 . 1 18 18 ASN CB C 13 38.822 0.024 . . . . . . . 18 N CB . 52697 1 77 . 1 . 1 18 18 ASN N N 15 117.7 0 . . . . . . . 18 N N . 52697 1 78 . 1 . 1 19 19 ALA H H 1 8.007 0 . . . . . . . 19 A HN . 52697 1 79 . 1 . 1 19 19 ALA C C 13 178.001 0.007 . . . . . . . 19 A CO . 52697 1 80 . 1 . 1 19 19 ALA CA C 13 52.796 0.01 . . . . . . . 19 A CA . 52697 1 81 . 1 . 1 19 19 ALA CB C 13 19.321 0 . . . . . . . 19 A CB . 52697 1 82 . 1 . 1 19 19 ALA N N 15 124.183 0 . . . . . . . 19 A N . 52697 1 83 . 1 . 1 20 20 THR H H 1 7.919 0 . . . . . . . 20 T HN . 52697 1 84 . 1 . 1 20 20 THR C C 13 174.484 0 . . . . . . . 20 T CO . 52697 1 85 . 1 . 1 20 20 THR CA C 13 62.204 0.003 . . . . . . . 20 T CA . 52697 1 86 . 1 . 1 20 20 THR CB C 13 69.725 0.028 . . . . . . . 20 T CB . 52697 1 87 . 1 . 1 20 20 THR N N 15 113.898 0 . . . . . . . 20 T N . 52697 1 88 . 1 . 1 21 21 ARG H H 1 8.082 0 . . . . . . . 21 R HN . 52697 1 89 . 1 . 1 21 21 ARG C C 13 176.031 0.024 . . . . . . . 21 R CO . 52697 1 90 . 1 . 1 21 21 ARG CA C 13 55.956 0.018 . . . . . . . 21 R CA . 52697 1 91 . 1 . 1 21 21 ARG CB C 13 30.799 0.047 . . . . . . . 21 R CB . 52697 1 92 . 1 . 1 21 21 ARG N N 15 124.233 0 . . . . . . . 21 R N . 52697 1 93 . 1 . 1 22 22 ILE H H 1 8.107 0 . . . . . . . 22 I HN . 52697 1 94 . 1 . 1 22 22 ILE C C 13 174.68 0.01 . . . . . . . 22 I CO . 52697 1 95 . 1 . 1 22 22 ILE CA C 13 58.575 0.059 . . . . . . . 22 I CA . 52697 1 96 . 1 . 1 22 22 ILE CB C 13 38.361 0.09 . . . . . . . 22 I CB . 52697 1 97 . 1 . 1 22 22 ILE N N 15 124.98 0 . . . . . . . 22 I N . 52697 1 98 . 1 . 1 23 23 PRO C C 13 176.569 0.011 . . . . . . . 23 P CO . 52697 1 99 . 1 . 1 23 23 PRO CA C 13 63.093 0.013 . . . . . . . 23 P CA . 52697 1 100 . 1 . 1 23 23 PRO CB C 13 32.133 0.063 . . . . . . . 23 P CB . 52697 1 101 . 1 . 1 23 23 PRO N N 15 140.396 0 . . . . . . . 23 P N . 52697 1 102 . 1 . 1 24 24 ALA H H 1 8.184 0 . . . . . . . 24 A HN . 52697 1 103 . 1 . 1 24 24 ALA C C 13 177.917 0.026 . . . . . . . 24 A CO . 52697 1 104 . 1 . 1 24 24 ALA CA C 13 52.348 0.003 . . . . . . . 24 A CA . 52697 1 105 . 1 . 1 24 24 ALA CB C 13 19.331 0.065 . . . . . . . 24 A CB . 52697 1 106 . 1 . 1 24 24 ALA N N 15 124.686 0 . . . . . . . 24 A N . 52697 1 107 . 1 . 1 25 25 LYS H H 1 8.152 0 . . . . . . . 25 K HN . 52697 1 108 . 1 . 1 25 25 LYS C C 13 176.723 0.006 . . . . . . . 25 K CO . 52697 1 109 . 1 . 1 25 25 LYS CA C 13 56.132 0.003 . . . . . . . 25 K CA . 52697 1 110 . 1 . 1 25 25 LYS CB C 13 33.129 0.042 . . . . . . . 25 K CB . 52697 1 111 . 1 . 1 25 25 LYS N N 15 121.13 0 . . . . . . . 25 K N . 52697 1 112 . 1 . 1 26 26 THR H H 1 8.06 0 . . . . . . . 26 T HN . 52697 1 113 . 1 . 1 26 26 THR C C 13 172.375 0.032 . . . . . . . 26 T CO . 52697 1 114 . 1 . 1 26 26 THR CA C 13 59.964 0.053 . . . . . . . 26 T CA . 52697 1 115 . 1 . 1 26 26 THR CB C 13 69.632 0.008 . . . . . . . 26 T CB . 52697 1 116 . 1 . 1 26 26 THR N N 15 119.129 0 . . . . . . . 26 T N . 52697 1 117 . 1 . 1 27 27 PRO C C 13 174.575 0.062 . . . . . . . 27 P CO . 52697 1 118 . 1 . 1 27 27 PRO CA C 13 61.379 0.025 . . . . . . . 27 P CA . 52697 1 119 . 1 . 1 27 27 PRO CB C 13 30.78 0.008 . . . . . . . 27 P CB . 52697 1 120 . 1 . 1 27 27 PRO N N 15 140.444 0 . . . . . . . 27 P N . 52697 1 121 . 1 . 1 28 28 PRO CA C 13 62.575 0.12 . . . . . . . 28 P CA . 52697 1 122 . 1 . 1 28 28 PRO CB C 13 32.035 0.024 . . . . . . . 28 P CB . 52697 1 123 . 1 . 1 28 28 PRO N N 15 135.244 0 . . . . . . . 28 P N . 52697 1 124 . 1 . 1 29 29 ALA H H 1 8.178 0 . . . . . . . 29 A HN . 52697 1 125 . 1 . 1 29 29 ALA C C 13 175.738 0.008 . . . . . . . 29 A CO . 52697 1 126 . 1 . 1 29 29 ALA CA C 13 50.37 0.016 . . . . . . . 29 A CA . 52697 1 127 . 1 . 1 29 29 ALA CB C 13 17.991 0.025 . . . . . . . 29 A CB . 52697 1 128 . 1 . 1 29 29 ALA N N 15 125.746 0 . . . . . . . 29 A N . 52697 1 129 . 1 . 1 30 30 PRO C C 13 176.685 0.217 . . . . . . . 30 P CO . 52697 1 130 . 1 . 1 30 30 PRO CA C 13 62.837 0.059 . . . . . . . 30 P CA . 52697 1 131 . 1 . 1 30 30 PRO CB C 13 32.235 0.039 . . . . . . . 30 P CB . 52697 1 132 . 1 . 1 30 30 PRO N N 15 135.562 0 . . . . . . . 30 P N . 52697 1 133 . 1 . 1 31 31 LYS H H 1 8.185 0 . . . . . . . 31 K HN . 52697 1 134 . 1 . 1 31 31 LYS C C 13 176.385 0.014 . . . . . . . 31 K CO . 52697 1 135 . 1 . 1 31 31 LYS CA C 13 56.102 0.005 . . . . . . . 31 K CA . 52697 1 136 . 1 . 1 31 31 LYS CB C 13 33.303 0 . . . . . . . 31 K CB . 52697 1 137 . 1 . 1 31 31 LYS N N 15 121.777 0 . . . . . . . 31 K N . 52697 1 138 . 1 . 1 32 32 ASP H H 1 8.115 0 . . . . . . . 32 D HN . 52697 1 139 . 1 . 1 32 32 ASP N N 15 122.616 0 . . . . . . . 32 D N . 52697 1 140 . 1 . 1 33 33 PRO C C 13 174.805 0.039 . . . . . . . 33 P CO . 52697 1 141 . 1 . 1 33 33 PRO N N 15 136.831 0 . . . . . . . 33 P N . 52697 1 142 . 1 . 1 34 34 PRO C C 13 177.178 0.023 . . . . . . . 34 P CO . 52697 1 143 . 1 . 1 34 34 PRO CA C 13 62.847 0.157 . . . . . . . 34 P CA . 52697 1 144 . 1 . 1 34 34 PRO CB C 13 31.939 0.182 . . . . . . . 34 P CB . 52697 1 145 . 1 . 1 34 34 PRO N N 15 135.305 0 . . . . . . . 34 P N . 52697 1 146 . 1 . 1 35 35 SER H H 1 8.286 0 . . . . . . . 35 S HN . 52697 1 147 . 1 . 1 35 35 SER C C 13 175.003 0.003 . . . . . . . 35 S CO . 52697 1 148 . 1 . 1 35 35 SER CA C 13 58.352 0 . . . . . . . 35 S CA . 52697 1 149 . 1 . 1 35 35 SER CB C 13 63.803 0.005 . . . . . . . 35 S CB . 52697 1 150 . 1 . 1 35 35 SER N N 15 116.455 0 . . . . . . . 35 S N . 52697 1 151 . 1 . 1 36 36 SER H H 1 8.232 0 . . . . . . . 36 S HN . 52697 1 152 . 1 . 1 36 36 SER C C 13 174.975 0.057 . . . . . . . 36 S CO . 52697 1 153 . 1 . 1 36 36 SER CA C 13 58.603 0.012 . . . . . . . 36 S CA . 52697 1 154 . 1 . 1 36 36 SER CB C 13 63.801 0.026 . . . . . . . 36 S CB . 52697 1 155 . 1 . 1 36 36 SER N N 15 117.841 0 . . . . . . . 36 S N . 52697 1 156 . 1 . 1 37 37 GLY H H 1 8.125 0 . . . . . . . 37 G HN . 52697 1 157 . 1 . 1 37 37 GLY C C 13 173.803 0.005 . . . . . . . 37 G CO . 52697 1 158 . 1 . 1 37 37 GLY CA C 13 45.027 0.005 . . . . . . . 37 G CA . 52697 1 159 . 1 . 1 37 37 GLY N N 15 110.56 0 . . . . . . . 37 G N . 52697 1 160 . 1 . 1 38 38 GLU H H 1 7.969 0 . . . . . . . 38 E HN . 52697 1 161 . 1 . 1 38 38 GLU C C 13 174.339 0.003 . . . . . . . 38 E CO . 52697 1 162 . 1 . 1 38 38 GLU CA C 13 54.293 0.01 . . . . . . . 38 E CA . 52697 1 163 . 1 . 1 38 38 GLU CB C 13 29.758 0.047 . . . . . . . 38 E CB . 52697 1 164 . 1 . 1 38 38 GLU N N 15 121.677 0 . . . . . . . 38 E N . 52697 1 165 . 1 . 1 39 39 PRO C C 13 174.617 0.019 . . . . . . . 39 P CO . 52697 1 166 . 1 . 1 39 39 PRO CA C 13 61.501 0.058 . . . . . . . 39 P CA . 52697 1 167 . 1 . 1 39 39 PRO CB C 13 30.626 0.078 . . . . . . . 39 P CB . 52697 1 168 . 1 . 1 39 39 PRO N N 15 138.858 0 . . . . . . . 39 P N . 52697 1 169 . 1 . 1 40 40 PRO CA C 13 62.417 0 . . . . . . . 40 P CA . 52697 1 170 . 1 . 1 40 40 PRO CB C 13 31.757 0 . . . . . . . 40 P CB . 52697 1 171 . 1 . 1 41 41 LYS C C 13 177.004 0 . . . . . . . 41 K CO . 52697 1 172 . 1 . 1 41 41 LYS CA C 13 56.116 0 . . . . . . . 41 K CA . 52697 1 173 . 1 . 1 41 41 LYS CB C 13 33.115 0 . . . . . . . 41 K CB . 52697 1 174 . 1 . 1 42 42 SER H H 1 8.182 0 . . . . . . . 42 S HN . 52697 1 175 . 1 . 1 42 42 SER C C 13 175.259 0.007 . . . . . . . 42 S CO . 52697 1 176 . 1 . 1 42 42 SER CA C 13 58.596 0.005 . . . . . . . 42 S CA . 52697 1 177 . 1 . 1 42 42 SER CB C 13 63.752 0 . . . . . . . 42 S CB . 52697 1 178 . 1 . 1 42 42 SER N N 15 117.041 0 . . . . . . . 42 S N . 52697 1 179 . 1 . 1 43 43 GLY H H 1 8.26 0 . . . . . . . 43 G HN . 52697 1 180 . 1 . 1 43 43 GLY C C 13 173.984 0.006 . . . . . . . 43 G CO . 52697 1 181 . 1 . 1 43 43 GLY CA C 13 45.292 0.002 . . . . . . . 43 G CA . 52697 1 182 . 1 . 1 43 43 GLY N N 15 110.906 0 . . . . . . . 43 G N . 52697 1 183 . 1 . 1 44 44 ASP H H 1 7.951 0 . . . . . . . 44 D HN . 52697 1 184 . 1 . 1 44 44 ASP C C 13 176.826 0.01 . . . . . . . 44 D CO . 52697 1 185 . 1 . 1 44 44 ASP CA C 13 54.538 0.016 . . . . . . . 44 D CA . 52697 1 186 . 1 . 1 44 44 ASP CB C 13 41.217 0 . . . . . . . 44 D CB . 52697 1 187 . 1 . 1 44 44 ASP N N 15 120.211 0 . . . . . . . 44 D N . 52697 1 188 . 1 . 1 45 45 ARG H H 1 8.255 0 . . . . . . . 45 R HN . 52697 1 189 . 1 . 1 45 45 ARG C C 13 176.802 0 . . . . . . . 45 R CO . 52697 1 190 . 1 . 1 45 45 ARG CA C 13 56.074 0.042 . . . . . . . 45 R CA . 52697 1 191 . 1 . 1 45 45 ARG CB C 13 30.321 0 . . . . . . . 45 R CB . 52697 1 192 . 1 . 1 45 45 ARG N N 15 122.054 0 . . . . . . . 45 R N . 52697 1 193 . 1 . 1 46 46 SER H H 1 8.187 0 . . . . . . . 46 S HN . 52697 1 194 . 1 . 1 46 46 SER C C 13 175.329 0.003 . . . . . . . 46 S CO . 52697 1 195 . 1 . 1 46 46 SER CA C 13 59.367 0.012 . . . . . . . 46 S CA . 52697 1 196 . 1 . 1 46 46 SER CB C 13 63.7 0.014 . . . . . . . 46 S CB . 52697 1 197 . 1 . 1 46 46 SER N N 15 117.04 0 . . . . . . . 46 S N . 52697 1 198 . 1 . 1 47 47 GLY H H 1 8.207 0 . . . . . . . 47 G HN . 52697 1 199 . 1 . 1 47 47 GLY C C 13 173.88 0.009 . . . . . . . 47 G CO . 52697 1 200 . 1 . 1 47 47 GLY CA C 13 45.252 0.005 . . . . . . . 47 G CA . 52697 1 201 . 1 . 1 47 47 GLY N N 15 110.645 0 . . . . . . . 47 G N . 52697 1 202 . 1 . 1 48 48 TYR H H 1 7.745 0 . . . . . . . 48 Y HN . 52697 1 203 . 1 . 1 48 48 TYR C C 13 175.875 0.014 . . . . . . . 48 Y CO . 52697 1 204 . 1 . 1 48 48 TYR CA C 13 58.003 0.026 . . . . . . . 48 Y CA . 52697 1 205 . 1 . 1 48 48 TYR CB C 13 39.023 0.009 . . . . . . . 48 Y CB . 52697 1 206 . 1 . 1 48 48 TYR N N 15 120.047 0 . . . . . . . 48 Y N . 52697 1 207 . 1 . 1 49 49 SER H H 1 7.918 0 . . . . . . . 49 S HN . 52697 1 208 . 1 . 1 49 49 SER C C 13 173.673 0.004 . . . . . . . 49 S CO . 52697 1 209 . 1 . 1 49 49 SER CA C 13 57.935 0 . . . . . . . 49 S CA . 52697 1 210 . 1 . 1 49 49 SER CB C 13 64.108 0.019 . . . . . . . 49 S CB . 52697 1 211 . 1 . 1 49 49 SER N N 15 118.314 0 . . . . . . . 49 S N . 52697 1 212 . 1 . 1 50 50 SER H H 1 8.132 0 . . . . . . . 50 S HN . 52697 1 213 . 1 . 1 50 50 SER C C 13 172.892 0.016 . . . . . . . 50 S CO . 52697 1 214 . 1 . 1 50 50 SER CA C 13 56.459 0.02 . . . . . . . 50 S CA . 52697 1 215 . 1 . 1 50 50 SER CB C 13 63.294 0.045 . . . . . . . 50 S CB . 52697 1 216 . 1 . 1 50 50 SER N N 15 119.087 0 . . . . . . . 50 S N . 52697 1 217 . 1 . 1 51 51 PRO C C 13 177.583 0.048 . . . . . . . 51 P CO . 52697 1 218 . 1 . 1 51 51 PRO CA C 13 63.824 0 . . . . . . . 51 P CA . 52697 1 219 . 1 . 1 51 51 PRO CB C 13 32.04 0.072 . . . . . . . 51 P CB . 52697 1 220 . 1 . 1 51 51 PRO N N 15 137.888 0 . . . . . . . 51 P N . 52697 1 221 . 1 . 1 52 52 GLY H H 1 8.225 0 . . . . . . . 52 G HN . 52697 1 222 . 1 . 1 52 52 GLY C C 13 173.68 0.009 . . . . . . . 52 G CO . 52697 1 223 . 1 . 1 52 52 GLY CA C 13 44.954 0.003 . . . . . . . 52 G CA . 52697 1 224 . 1 . 1 52 52 GLY N N 15 108.241 0 . . . . . . . 52 G N . 52697 1 225 . 1 . 1 53 53 ASP H H 1 7.844 0 . . . . . . . 53 D HN . 52697 1 226 . 1 . 1 53 53 ASP C C 13 175.154 0.007 . . . . . . . 53 D CO . 52697 1 227 . 1 . 1 53 53 ASP CA C 13 52.168 0.039 . . . . . . . 53 D CA . 52697 1 228 . 1 . 1 53 53 ASP CB C 13 41.309 0.035 . . . . . . . 53 D CB . 52697 1 229 . 1 . 1 53 53 ASP N N 15 121.17 0 . . . . . . . 53 D N . 52697 1 230 . 1 . 1 54 54 PRO C C 13 177.697 0.155 . . . . . . . 54 P CO . 52697 1 231 . 1 . 1 54 54 PRO CA C 13 63.878 0.129 . . . . . . . 54 P CA . 52697 1 232 . 1 . 1 54 54 PRO CB C 13 32.094 0.018 . . . . . . . 54 P CB . 52697 1 233 . 1 . 1 54 54 PRO N N 15 138.105 0 . . . . . . . 54 P N . 52697 1 234 . 1 . 1 55 55 GLY H H 1 8.187 0 . . . . . . . 55 G HN . 52697 1 235 . 1 . 1 55 55 GLY C C 13 173.589 0.004 . . . . . . . 55 G CO . 52697 1 236 . 1 . 1 55 55 GLY CA C 13 44.907 0.011 . . . . . . . 55 G CA . 52697 1 237 . 1 . 1 55 55 GLY N N 15 109.221 0 . . . . . . . 55 G N . 52697 1 238 . 1 . 1 56 56 ASP H H 1 7.94 0 . . . . . . . 56 D HN . 52697 1 239 . 1 . 1 56 56 ASP C C 13 175.132 0.029 . . . . . . . 56 D CO . 52697 1 240 . 1 . 1 56 56 ASP CA C 13 52.243 0.036 . . . . . . . 56 D CA . 52697 1 241 . 1 . 1 56 56 ASP CB C 13 41.309 0.035 . . . . . . . 56 D CB . 52697 1 242 . 1 . 1 56 56 ASP N N 15 121.858 0 . . . . . . . 56 D N . 52697 1 243 . 1 . 1 57 57 PRO C C 13 177.936 0.084 . . . . . . . 57 P CO . 52697 1 244 . 1 . 1 57 57 PRO CA C 13 64.078 0.071 . . . . . . . 57 P CA . 52697 1 245 . 1 . 1 57 57 PRO CB C 13 32.103 0.027 . . . . . . . 57 P CB . 52697 1 246 . 1 . 1 57 57 PRO N N 15 138.105 0 . . . . . . . 57 P N . 52697 1 247 . 1 . 1 58 58 GLY H H 1 8.297 0 . . . . . . . 58 G HN . 52697 1 248 . 1 . 1 58 58 GLY C C 13 174.699 0.008 . . . . . . . 58 G CO . 52697 1 249 . 1 . 1 58 58 GLY CA C 13 45.502 0.016 . . . . . . . 58 G CA . 52697 1 250 . 1 . 1 58 58 GLY N N 15 108.276 0 . . . . . . . 58 G N . 52697 1 251 . 1 . 1 59 59 SER H H 1 7.771 0 . . . . . . . 59 S HN . 52697 1 252 . 1 . 1 59 59 SER C C 13 174.906 0.021 . . . . . . . 59 S CO . 52697 1 253 . 1 . 1 59 59 SER CA C 13 58.69 0.019 . . . . . . . 59 S CA . 52697 1 254 . 1 . 1 59 59 SER CB C 13 63.808 0.037 . . . . . . . 59 S CB . 52697 1 255 . 1 . 1 59 59 SER N N 15 115.472 0 . . . . . . . 59 S N . 52697 1 256 . 1 . 1 60 60 ARG H H 1 7.985 0 . . . . . . . 60 R HN . 52697 1 257 . 1 . 1 60 60 ARG C C 13 176.568 0 . . . . . . . 60 R CO . 52697 1 258 . 1 . 1 60 60 ARG CA C 13 56.182 0 . . . . . . . 60 R CA . 52697 1 259 . 1 . 1 60 60 ARG N N 15 122.373 0 . . . . . . . 60 R N . 52697 1 260 . 1 . 1 62 62 ARG C C 13 175.869 0 . . . . . . . 62 R CO . 52697 1 261 . 1 . 1 62 62 ARG CA C 13 55.792 0 . . . . . . . 62 R CA . 52697 1 262 . 1 . 1 62 62 ARG CB C 13 31.071 0 . . . . . . . 62 R CB . 52697 1 263 . 1 . 1 63 63 ASP H H 1 8.181 0 . . . . . . . 63 D HN . 52697 1 264 . 1 . 1 63 63 ASP C C 13 174.909 0.003 . . . . . . . 63 D CO . 52697 1 265 . 1 . 1 63 63 ASP CA C 13 52.551 0.046 . . . . . . . 63 D CA . 52697 1 266 . 1 . 1 63 63 ASP CB C 13 40.776 0.038 . . . . . . . 63 D CB . 52697 1 267 . 1 . 1 63 63 ASP N N 15 124.197 0 . . . . . . . 63 D N . 52697 1 268 . 1 . 1 64 64 PRO C C 13 176.781 0 . . . . . . . 64 P CO . 52697 1 269 . 1 . 1 64 64 PRO CA C 13 63.349 0.063 . . . . . . . 64 P CA . 52697 1 270 . 1 . 1 64 64 PRO CB C 13 32.146 0.125 . . . . . . . 64 P CB . 52697 1 271 . 1 . 1 64 64 PRO N N 15 136.538 0 . . . . . . . 64 P N . 52697 1 272 . 1 . 1 65 65 ASP H H 1 8.168 0 . . . . . . . 65 D HN . 52697 1 273 . 1 . 1 65 65 ASP C C 13 176.075 0.007 . . . . . . . 65 D CO . 52697 1 274 . 1 . 1 65 65 ASP CA C 13 54.524 0.035 . . . . . . . 65 D CA . 52697 1 275 . 1 . 1 65 65 ASP CB C 13 40.974 0 . . . . . . . 65 D CB . 52697 1 276 . 1 . 1 65 65 ASP N N 15 119.367 0 . . . . . . . 65 D N . 52697 1 277 . 1 . 1 66 66 LEU H H 1 7.645 0 . . . . . . . 66 L HN . 52697 1 278 . 1 . 1 66 66 LEU C C 13 175.048 0.008 . . . . . . . 66 L CO . 52697 1 279 . 1 . 1 66 66 LEU CA C 13 52.82 0.028 . . . . . . . 66 L CA . 52697 1 280 . 1 . 1 66 66 LEU CB C 13 41.934 0.033 . . . . . . . 66 L CB . 52697 1 281 . 1 . 1 66 66 LEU N N 15 123.111 0 . . . . . . . 66 L N . 52697 1 282 . 1 . 1 67 67 PRO C C 13 176.633 0 . . . . . . . 67 P CO . 52697 1 283 . 1 . 1 67 67 PRO CA C 13 62.718 0.037 . . . . . . . 67 P CA . 52697 1 284 . 1 . 1 67 67 PRO CB C 13 32.138 0.059 . . . . . . . 67 P CB . 52697 1 285 . 1 . 1 67 67 PRO N N 15 136.04 0 . . . . . . . 67 P N . 52697 1 286 . 1 . 1 68 68 ASP H H 1 8.215 0 . . . . . . . 68 D HN . 52697 1 287 . 1 . 1 68 68 ASP C C 13 173.882 0.007 . . . . . . . 68 D CO . 52697 1 288 . 1 . 1 68 68 ASP CA C 13 52.929 0.087 . . . . . . . 68 D CA . 52697 1 289 . 1 . 1 68 68 ASP CB C 13 40.032 0.034 . . . . . . . 68 D CB . 52697 1 290 . 1 . 1 68 68 ASP N N 15 121.886 0 . . . . . . . 68 D N . 52697 1 291 . 1 . 1 69 69 PRO C C 13 174.663 0 . . . . . . . 69 P CO . 52697 1 292 . 1 . 1 69 69 PRO CA C 13 61.472 0.048 . . . . . . . 69 P CA . 52697 1 293 . 1 . 1 69 69 PRO CB C 13 30.943 0.112 . . . . . . . 69 P CB . 52697 1 294 . 1 . 1 69 69 PRO N N 15 137.075 0 . . . . . . . 69 P N . 52697 1 295 . 1 . 1 70 70 PRO C C 13 177.144 0.04 . . . . . . . 70 P CO . 52697 1 296 . 1 . 1 70 70 PRO CA C 13 62.802 0.197 . . . . . . . 70 P CA . 52697 1 297 . 1 . 1 70 70 PRO CB C 13 32.064 0.01 . . . . . . . 70 P CB . 52697 1 298 . 1 . 1 70 70 PRO N N 15 135.285 0 . . . . . . . 70 P N . 52697 1 299 . 1 . 1 71 71 THR H H 1 8.016 0 . . . . . . . 71 T HN . 52697 1 300 . 1 . 1 71 71 THR C C 13 174.513 0.002 . . . . . . . 71 T CO . 52697 1 301 . 1 . 1 71 71 THR CA C 13 61.892 0.038 . . . . . . . 71 T CA . 52697 1 302 . 1 . 1 71 71 THR CB C 13 69.794 0.044 . . . . . . . 71 T CB . 52697 1 303 . 1 . 1 71 71 THR N N 15 114.9 0 . . . . . . . 71 T N . 52697 1 304 . 1 . 1 72 72 ARG C C 13 176.001 0 . . . . . . . 72 R CO . 52697 1 305 . 1 . 1 72 72 ARG CA C 13 55.776 0.059 . . . . . . . 72 R CA . 52697 1 306 . 1 . 1 72 72 ARG CB C 13 30.883 0.009 . . . . . . . 72 R CB . 52697 1 307 . 1 . 1 72 72 ARG N N 15 123.721 0 . . . . . . . 72 R N . 52697 1 308 . 1 . 1 73 73 GLU H H 1 8.239 0 . . . . . . . 73 E HN . 52697 1 309 . 1 . 1 73 73 GLU C C 13 174.483 0.001 . . . . . . . 73 E CO . 52697 1 310 . 1 . 1 73 73 GLU CA C 13 54.384 0.036 . . . . . . . 73 E CA . 52697 1 311 . 1 . 1 73 73 GLU CB C 13 29.784 0.101 . . . . . . . 73 E CB . 52697 1 312 . 1 . 1 73 73 GLU N N 15 123.97 0 . . . . . . . 73 E N . 52697 1 313 . 1 . 1 74 74 PRO C C 13 175.098 0 . . . . . . . 74 P CO . 52697 1 314 . 1 . 1 74 74 PRO CA C 13 63.041 0 . . . . . . . 74 P CA . 52697 1 315 . 1 . 1 74 74 PRO CB C 13 32.264 0 . . . . . . . 74 P CB . 52697 1 316 . 1 . 1 74 74 PRO N N 15 137.417 0 . . . . . . . 74 P N . 52697 1 317 . 1 . 1 76 76 LYS C C 13 176.519 0 . . . . . . . 76 K CO . 52697 1 318 . 1 . 1 76 76 LYS CA C 13 56.135 0 . . . . . . . 76 K CA . 52697 1 319 . 1 . 1 76 76 LYS CB C 13 32.993 0 . . . . . . . 76 K CB . 52697 1 320 . 1 . 1 77 77 VAL H H 1 8.005 0 . . . . . . . 77 V HN . 52697 1 321 . 1 . 1 77 77 VAL C C 13 175.764 0.011 . . . . . . . 77 V CO . 52697 1 322 . 1 . 1 77 77 VAL CA C 13 62.066 0 . . . . . . . 77 V CA . 52697 1 323 . 1 . 1 77 77 VAL CB C 13 32.923 0 . . . . . . . 77 V CB . 52697 1 324 . 1 . 1 77 77 VAL N N 15 122.889 0 . . . . . . . 77 V N . 52697 1 325 . 1 . 1 78 78 ALA H H 1 8.193 0 . . . . . . . 78 A HN . 52697 1 326 . 1 . 1 78 78 ALA C C 13 177.56 0.008 . . . . . . . 78 A CO . 52697 1 327 . 1 . 1 78 78 ALA CA C 13 52.3 0.005 . . . . . . . 78 A CA . 52697 1 328 . 1 . 1 78 78 ALA CB C 13 19.267 0.012 . . . . . . . 78 A CB . 52697 1 329 . 1 . 1 78 78 ALA N N 15 128.844 0 . . . . . . . 78 A N . 52697 1 330 . 1 . 1 79 79 VAL H H 1 7.999 0 . . . . . . . 79 V HN . 52697 1 331 . 1 . 1 79 79 VAL C C 13 176.2 0.003 . . . . . . . 79 V CO . 52697 1 332 . 1 . 1 79 79 VAL CA C 13 62.347 0.005 . . . . . . . 79 V CA . 52697 1 333 . 1 . 1 79 79 VAL CB C 13 32.874 0.045 . . . . . . . 79 V CB . 52697 1 334 . 1 . 1 79 79 VAL N N 15 121.211 0 . . . . . . . 79 V N . 52697 1 335 . 1 . 1 80 80 VAL H H 1 8.138 0 . . . . . . . 80 V HN . 52697 1 336 . 1 . 1 80 80 VAL C C 13 175.954 0.004 . . . . . . . 80 V CO . 52697 1 337 . 1 . 1 80 80 VAL CA C 13 62.207 0 . . . . . . . 80 V CA . 52697 1 338 . 1 . 1 80 80 VAL CB C 13 32.792 0 . . . . . . . 80 V CB . 52697 1 339 . 1 . 1 80 80 VAL N N 15 126.272 0 . . . . . . . 80 V N . 52697 1 340 . 1 . 1 81 81 ARG H H 1 8.267 0 . . . . . . . 81 R HN . 52697 1 341 . 1 . 1 81 81 ARG C C 13 175.719 0.013 . . . . . . . 81 R CO . 52697 1 342 . 1 . 1 81 81 ARG CA C 13 55.69 0.004 . . . . . . . 81 R CA . 52697 1 343 . 1 . 1 81 81 ARG CB C 13 31.073 0.04 . . . . . . . 81 R CB . 52697 1 344 . 1 . 1 81 81 ARG N N 15 126.332 0 . . . . . . . 81 R N . 52697 1 345 . 1 . 1 82 82 ASP H H 1 8.2 0 . . . . . . . 82 D HN . 52697 1 346 . 1 . 1 82 82 ASP C C 13 173.637 0.006 . . . . . . . 82 D CO . 52697 1 347 . 1 . 1 82 82 ASP N N 15 123.24 0 . . . . . . . 82 D N . 52697 1 348 . 1 . 1 83 83 PRO C C 13 174.838 0 . . . . . . . 83 P CO . 52697 1 349 . 1 . 1 83 83 PRO CA C 13 61.501 0.097 . . . . . . . 83 P CA . 52697 1 350 . 1 . 1 83 83 PRO CB C 13 30.821 0 . . . . . . . 83 P CB . 52697 1 351 . 1 . 1 83 83 PRO N N 15 137.051 0 . . . . . . . 83 P N . 52697 1 352 . 1 . 1 84 84 PRO C C 13 177.038 0.127 . . . . . . . 84 P CO . 52697 1 353 . 1 . 1 84 84 PRO CA C 13 62.794 0.144 . . . . . . . 84 P CA . 52697 1 354 . 1 . 1 84 84 PRO CB C 13 32.162 0.054 . . . . . . . 84 P CB . 52697 1 355 . 1 . 1 84 84 PRO N N 15 135.055 0 . . . . . . . 84 P N . 52697 1 356 . 1 . 1 85 85 LYS H H 1 8.205 0 . . . . . . . 85 K HN . 52697 1 357 . 1 . 1 85 85 LYS C C 13 176.373 0.002 . . . . . . . 85 K CO . 52697 1 358 . 1 . 1 85 85 LYS CA C 13 56.175 0.031 . . . . . . . 85 K CA . 52697 1 359 . 1 . 1 85 85 LYS CB C 13 33.219 0.01 . . . . . . . 85 K CB . 52697 1 360 . 1 . 1 85 85 LYS N N 15 121.985 0 . . . . . . . 85 K N . 52697 1 361 . 1 . 1 86 86 ASP H H 1 8.228 0 . . . . . . . 86 D HN . 52697 1 362 . 1 . 1 86 86 ASP C C 13 175.065 0.017 . . . . . . . 86 D CO . 52697 1 363 . 1 . 1 86 86 ASP CA C 13 52.118 0.03 . . . . . . . 86 D CA . 52697 1 364 . 1 . 1 86 86 ASP CB C 13 41.118 0.088 . . . . . . . 86 D CB . 52697 1 365 . 1 . 1 86 86 ASP N N 15 122.689 0 . . . . . . . 86 D N . 52697 1 366 . 1 . 1 87 87 PRO C C 13 177.615 0 . . . . . . . 87 P CO . 52697 1 367 . 1 . 1 87 87 PRO CA C 13 63.678 0.081 . . . . . . . 87 P CA . 52697 1 368 . 1 . 1 87 87 PRO CB C 13 32.147 0.049 . . . . . . . 87 P CB . 52697 1 369 . 1 . 1 87 87 PRO N N 15 137.318 0 . . . . . . . 87 P N . 52697 1 370 . 1 . 1 88 88 SER H H 1 8.238 0 . . . . . . . 88 S HN . 52697 1 371 . 1 . 1 88 88 SER C C 13 175.138 0.01 . . . . . . . 88 S CO . 52697 1 372 . 1 . 1 88 88 SER CA C 13 59.231 0.012 . . . . . . . 88 S CA . 52697 1 373 . 1 . 1 88 88 SER CB C 13 63.723 0 . . . . . . . 88 S CB . 52697 1 374 . 1 . 1 88 88 SER N N 15 115.54 0 . . . . . . . 88 S N . 52697 1 375 . 1 . 1 89 89 SER H H 1 7.889 0 . . . . . . . 89 S HN . 52697 1 376 . 1 . 1 89 89 SER C C 13 174.772 0.009 . . . . . . . 89 S CO . 52697 1 377 . 1 . 1 89 89 SER CA C 13 58.662 0.023 . . . . . . . 89 S CA . 52697 1 378 . 1 . 1 89 89 SER CB C 13 63.731 0.063 . . . . . . . 89 S CB . 52697 1 379 . 1 . 1 89 89 SER N N 15 117.599 0 . . . . . . . 89 S N . 52697 1 380 . 1 . 1 90 90 ALA H H 1 7.961 0 . . . . . . . 90 A HN . 52697 1 381 . 1 . 1 90 90 ALA C C 13 178.387 0.012 . . . . . . . 90 A CO . 52697 1 382 . 1 . 1 90 90 ALA CA C 13 53.253 0.002 . . . . . . . 90 A CA . 52697 1 383 . 1 . 1 90 90 ALA CB C 13 18.976 0.016 . . . . . . . 90 A CB . 52697 1 384 . 1 . 1 90 90 ALA N N 15 125.596 0 . . . . . . . 90 A N . 52697 1 385 . 1 . 1 91 91 LYS H H 1 7.957 0 . . . . . . . 91 K HN . 52697 1 386 . 1 . 1 91 91 LYS C C 13 177.302 0.003 . . . . . . . 91 K CO . 52697 1 387 . 1 . 1 91 91 LYS CA C 13 56.812 0.003 . . . . . . . 91 K CA . 52697 1 388 . 1 . 1 91 91 LYS CB C 13 32.89 0.019 . . . . . . . 91 K CB . 52697 1 389 . 1 . 1 91 91 LYS N N 15 119.655 0 . . . . . . . 91 K N . 52697 1 390 . 1 . 1 92 92 SER H H 1 7.964 0 . . . . . . . 92 S HN . 52697 1 391 . 1 . 1 92 92 SER C C 13 174.945 0.008 . . . . . . . 92 S CO . 52697 1 392 . 1 . 1 92 92 SER CA C 13 58.829 0.03 . . . . . . . 92 S CA . 52697 1 393 . 1 . 1 92 92 SER CB C 13 63.658 0.019 . . . . . . . 92 S CB . 52697 1 394 . 1 . 1 92 92 SER N N 15 116.433 0 . . . . . . . 92 S N . 52697 1 395 . 1 . 1 93 93 ARG H H 1 8.046 0 . . . . . . . 93 R HN . 52697 1 396 . 1 . 1 93 93 ARG C C 13 176.512 0.004 . . . . . . . 93 R CO . 52697 1 397 . 1 . 1 93 93 ARG CA C 13 56.397 0.014 . . . . . . . 93 R CA . 52697 1 398 . 1 . 1 93 93 ARG CB C 13 30.71 0.033 . . . . . . . 93 R CB . 52697 1 399 . 1 . 1 93 93 ARG N N 15 122.817 0 . . . . . . . 93 R N . 52697 1 400 . 1 . 1 94 94 LEU H H 1 7.886 0 . . . . . . . 94 L HN . 52697 1 401 . 1 . 1 94 94 LEU C C 13 177.532 0.003 . . . . . . . 94 L CO . 52697 1 402 . 1 . 1 94 94 LEU CA C 13 55.326 0.007 . . . . . . . 94 L CA . 52697 1 403 . 1 . 1 94 94 LEU CB C 13 42.23 0.009 . . . . . . . 94 L CB . 52697 1 404 . 1 . 1 94 94 LEU N N 15 122.469 0 . . . . . . . 94 L N . 52697 1 405 . 1 . 1 95 95 GLN H H 1 8.124 0 . . . . . . . 95 Q HN . 52697 1 406 . 1 . 1 95 95 GLN C C 13 176.122 0.001 . . . . . . . 95 Q CO . 52697 1 407 . 1 . 1 95 95 GLN CA C 13 55.809 0.012 . . . . . . . 95 Q CA . 52697 1 408 . 1 . 1 95 95 GLN CB C 13 29.547 0.014 . . . . . . . 95 Q CB . 52697 1 409 . 1 . 1 95 95 GLN N N 15 121.371 0 . . . . . . . 95 Q N . 52697 1 410 . 1 . 1 96 96 THR H H 1 7.902 0 . . . . . . . 96 T HN . 52697 1 411 . 1 . 1 96 96 THR C C 13 174.001 0.003 . . . . . . . 96 T CO . 52697 1 412 . 1 . 1 96 96 THR CA C 13 61.742 0.005 . . . . . . . 96 T CA . 52697 1 413 . 1 . 1 96 96 THR CB C 13 69.9 0.031 . . . . . . . 96 T CB . 52697 1 414 . 1 . 1 96 96 THR N N 15 115.897 0 . . . . . . . 96 T N . 52697 1 415 . 1 . 1 97 97 ALA H H 1 8.097 0 . . . . . . . 97 A HN . 52697 1 416 . 1 . 1 97 97 ALA C C 13 175.459 0.007 . . . . . . . 97 A CO . 52697 1 417 . 1 . 1 97 97 ALA CA C 13 50.636 0.001 . . . . . . . 97 A CA . 52697 1 418 . 1 . 1 97 97 ALA CB C 13 18.063 0.041 . . . . . . . 97 A CB . 52697 1 419 . 1 . 1 97 97 ALA N N 15 128.071 0 . . . . . . . 97 A N . 52697 1 420 . 1 . 1 98 98 PRO C C 13 176.737 0.023 . . . . . . . 98 P CO . 52697 1 421 . 1 . 1 98 98 PRO N N 15 135.386 0 . . . . . . . 98 P N . 52697 1 422 . 1 . 1 99 99 VAL H H 1 8.058 0 . . . . . . . 99 V HN . 52697 1 423 . 1 . 1 99 99 VAL C C 13 174.692 0.006 . . . . . . . 99 V CO . 52697 1 424 . 1 . 1 99 99 VAL CA C 13 59.999 0.038 . . . . . . . 99 V CA . 52697 1 425 . 1 . 1 99 99 VAL CB C 13 32.615 0 . . . . . . . 99 V CB . 52697 1 426 . 1 . 1 99 99 VAL N N 15 122.386 0 . . . . . . . 99 V N . 52697 1 427 . 1 . 1 100 100 PRO C C 13 176.672 0 . . . . . . . 100 P CO . 52697 1 428 . 1 . 1 100 100 PRO CA C 13 62.801 0.189 . . . . . . . 100 P CA . 52697 1 429 . 1 . 1 100 100 PRO N N 15 139.346 0 . . . . . . . 100 P N . 52697 1 430 . 1 . 1 101 101 MET H H 1 8.236 0 . . . . . . . 101 M HN . 52697 1 431 . 1 . 1 101 101 MET C C 13 174.618 0.001 . . . . . . . 101 M CO . 52697 1 432 . 1 . 1 101 101 MET CA C 13 53.224 0.013 . . . . . . . 101 M CA . 52697 1 433 . 1 . 1 101 101 MET CB C 13 32.147 0 . . . . . . . 101 M CB . 52697 1 434 . 1 . 1 101 101 MET N N 15 122.1 0 . . . . . . . 101 M N . 52697 1 435 . 1 . 1 102 102 PRO C C 13 176.379 0 . . . . . . . 102 P CO . 52697 1 436 . 1 . 1 102 102 PRO CA C 13 63.192 0.005 . . . . . . . 102 P CA . 52697 1 437 . 1 . 1 102 102 PRO CB C 13 32.231 0.016 . . . . . . . 102 P CB . 52697 1 438 . 1 . 1 102 102 PRO N N 15 136.807 0 . . . . . . . 102 P N . 52697 1 439 . 1 . 1 103 103 ASP H H 1 8.21 0 . . . . . . . 103 D HN . 52697 1 440 . 1 . 1 103 103 ASP C C 13 176.637 0 . . . . . . . 103 D CO . 52697 1 441 . 1 . 1 103 103 ASP CA C 13 54.029 0 . . . . . . . 103 D CA . 52697 1 442 . 1 . 1 103 103 ASP CB C 13 40.978 0.014 . . . . . . . 103 D CB . 52697 1 443 . 1 . 1 103 103 ASP N N 15 120.616 0 . . . . . . . 103 D N . 52697 1 444 . 1 . 1 104 104 LEU H H 1 8.054 0 . . . . . . . 104 L HN . 52697 1 445 . 1 . 1 104 104 LEU C C 13 177.878 0.001 . . . . . . . 104 L CO . 52697 1 446 . 1 . 1 104 104 LEU CA C 13 55.422 0.005 . . . . . . . 104 L CA . 52697 1 447 . 1 . 1 104 104 LEU CB C 13 41.925 0.014 . . . . . . . 104 L CB . 52697 1 448 . 1 . 1 104 104 LEU N N 15 123.601 0 . . . . . . . 104 L N . 52697 1 449 . 1 . 1 105 105 LYS H H 1 8.047 0 . . . . . . . 105 K HN . 52697 1 450 . 1 . 1 105 105 LYS C C 13 176.667 0.009 . . . . . . . 105 K CO . 52697 1 451 . 1 . 1 105 105 LYS CA C 13 56.845 0.021 . . . . . . . 105 K CA . 52697 1 452 . 1 . 1 105 105 LYS CB C 13 32.637 0 . . . . . . . 105 K CB . 52697 1 453 . 1 . 1 105 105 LYS N N 15 120.478 0 . . . . . . . 105 K N . 52697 1 454 . 1 . 1 106 106 ASN H H 1 8.039 0 . . . . . . . 106 N HN . 52697 1 455 . 1 . 1 106 106 ASN C C 13 175.219 0.003 . . . . . . . 106 N CO . 52697 1 456 . 1 . 1 106 106 ASN CA C 13 53.255 0.023 . . . . . . . 106 N CA . 52697 1 457 . 1 . 1 106 106 ASN CB C 13 38.826 0 . . . . . . . 106 N CB . 52697 1 458 . 1 . 1 106 106 ASN N N 15 118.701 0 . . . . . . . 106 N N . 52697 1 459 . 1 . 1 107 107 VAL H H 1 7.754 0 . . . . . . . 107 V HN . 52697 1 460 . 1 . 1 107 107 VAL C C 13 176.454 0.007 . . . . . . . 107 V CO . 52697 1 461 . 1 . 1 107 107 VAL CA C 13 62.659 0.002 . . . . . . . 107 V CA . 52697 1 462 . 1 . 1 107 107 VAL CB C 13 32.695 0.068 . . . . . . . 107 V CB . 52697 1 463 . 1 . 1 107 107 VAL N N 15 120.522 0 . . . . . . . 107 V N . 52697 1 464 . 1 . 1 108 108 LYS H H 1 8.202 0 . . . . . . . 108 K HN . 52697 1 465 . 1 . 1 108 108 LYS C C 13 176.824 0.004 . . . . . . . 108 K CO . 52697 1 466 . 1 . 1 108 108 LYS CA C 13 56.427 0.012 . . . . . . . 108 K CA . 52697 1 467 . 1 . 1 108 108 LYS CB C 13 32.813 0.124 . . . . . . . 108 K CB . 52697 1 468 . 1 . 1 108 108 LYS N N 15 125.12 0 . . . . . . . 108 K N . 52697 1 469 . 1 . 1 109 109 SER H H 1 8.064 0 . . . . . . . 109 S HN . 52697 1 470 . 1 . 1 109 109 SER C C 13 174.641 0.004 . . . . . . . 109 S CO . 52697 1 471 . 1 . 1 109 109 SER CA C 13 58.447 0.004 . . . . . . . 109 S CA . 52697 1 472 . 1 . 1 109 109 SER CB C 13 63.799 0.029 . . . . . . . 109 S CB . 52697 1 473 . 1 . 1 109 109 SER N N 15 117.244 0 . . . . . . . 109 S N . 52697 1 474 . 1 . 1 110 110 LYS C C 13 176.843 0 . . . . . . . 110 K CO . 52697 1 475 . 1 . 1 110 110 LYS CA C 13 56.319 0 . . . . . . . 110 K CA . 52697 1 476 . 1 . 1 110 110 LYS CB C 13 33.02 0 . . . . . . . 110 K CB . 52697 1 477 . 1 . 1 110 110 LYS N N 15 123.678 0 . . . . . . . 110 K N . 52697 1 478 . 1 . 1 113 113 SER H H 1 8.011 0 . . . . . . . 113 S HN . 52697 1 479 . 1 . 1 113 113 SER C C 13 175.428 0.013 . . . . . . . 113 S CO . 52697 1 480 . 1 . 1 113 113 SER CA C 13 58.444 0.026 . . . . . . . 113 S CA . 52697 1 481 . 1 . 1 113 113 SER CB C 13 63.836 0 . . . . . . . 113 S CB . 52697 1 482 . 1 . 1 113 113 SER N N 15 115.563 0 . . . . . . . 113 S N . 52697 1 483 . 1 . 1 114 114 THR H H 1 8.127 0 . . . . . . . 114 T HN . 52697 1 484 . 1 . 1 114 114 THR C C 13 175.044 0.015 . . . . . . . 114 T CO . 52697 1 485 . 1 . 1 114 114 THR CA C 13 62.258 0.014 . . . . . . . 114 T CA . 52697 1 486 . 1 . 1 114 114 THR CB C 13 69.411 0.033 . . . . . . . 114 T CB . 52697 1 487 . 1 . 1 114 114 THR N N 15 115.806 0 . . . . . . . 114 T N . 52697 1 488 . 1 . 1 115 115 GLU H H 1 8.135 0 . . . . . . . 115 E HN . 52697 1 489 . 1 . 1 115 115 GLU C C 13 176.33 0.01 . . . . . . . 115 E CO . 52697 1 490 . 1 . 1 115 115 GLU CA C 13 57.016 0.005 . . . . . . . 115 E CA . 52697 1 491 . 1 . 1 115 115 GLU CB C 13 30.241 0.005 . . . . . . . 115 E CB . 52697 1 492 . 1 . 1 115 115 GLU N N 15 122.797 0 . . . . . . . 115 E N . 52697 1 493 . 1 . 1 116 116 ASN H H 1 8.204 0 . . . . . . . 116 N HN . 52697 1 494 . 1 . 1 116 116 ASN C C 13 175.401 0.007 . . . . . . . 116 N CO . 52697 1 495 . 1 . 1 116 116 ASN CA C 13 53.392 0.005 . . . . . . . 116 N CA . 52697 1 496 . 1 . 1 116 116 ASN CB C 13 38.601 0.009 . . . . . . . 116 N CB . 52697 1 497 . 1 . 1 116 116 ASN N N 15 119.271 0 . . . . . . . 116 N N . 52697 1 498 . 1 . 1 117 117 LEU H H 1 7.921 0 . . . . . . . 117 L HN . 52697 1 499 . 1 . 1 117 117 LEU C C 13 177.632 0.001 . . . . . . . 117 L CO . 52697 1 500 . 1 . 1 117 117 LEU CA C 13 55.422 0.005 . . . . . . . 117 L CA . 52697 1 501 . 1 . 1 117 117 LEU CB C 13 42.127 0.009 . . . . . . . 117 L CB . 52697 1 502 . 1 . 1 117 117 LEU N N 15 122.262 0 . . . . . . . 117 L N . 52697 1 503 . 1 . 1 118 118 LYS H H 1 7.931 0 . . . . . . . 118 K HN . 52697 1 504 . 1 . 1 118 118 LYS C C 13 176.463 0 . . . . . . . 118 K CO . 52697 1 505 . 1 . 1 118 118 LYS CA C 13 56.477 0 . . . . . . . 118 K CA . 52697 1 506 . 1 . 1 118 118 LYS CB C 13 32.909 0 . . . . . . . 118 K CB . 52697 1 507 . 1 . 1 118 118 LYS N N 15 120.983 0 . . . . . . . 118 K N . 52697 1 508 . 1 . 1 119 119 HIS C C 13 175.097 0 . . . . . . . 119 H CO . 52697 1 509 . 1 . 1 119 119 HIS CA C 13 56.003 0 . . . . . . . 119 H CA . 52697 1 510 . 1 . 1 119 119 HIS CB C 13 30.714 0 . . . . . . . 119 H CB . 52697 1 511 . 1 . 1 120 120 GLN H H 1 8.076 0 . . . . . . . 120 Q HN . 52697 1 512 . 1 . 1 120 120 GLN C C 13 173.91 0.016 . . . . . . . 120 Q CO . 52697 1 513 . 1 . 1 120 120 GLN CA C 13 53.365 0.001 . . . . . . . 120 Q CA . 52697 1 514 . 1 . 1 120 120 GLN CB C 13 28.985 0.08 . . . . . . . 120 Q CB . 52697 1 515 . 1 . 1 120 120 GLN N N 15 123.009 0 . . . . . . . 120 Q N . 52697 1 516 . 1 . 1 121 121 PRO C C 13 177.809 0 . . . . . . . 121 P CO . 52697 1 517 . 1 . 1 121 121 PRO CA C 13 63.548 0 . . . . . . . 121 P CA . 52697 1 518 . 1 . 1 121 121 PRO CB C 13 32.069 0 . . . . . . . 121 P CB . 52697 1 519 . 1 . 1 125 125 LYS C C 13 176.814 0 . . . . . . . 125 K CO . 52697 1 520 . 1 . 1 125 125 LYS CA C 13 56.271 0 . . . . . . . 125 K CA . 52697 1 521 . 1 . 1 125 125 LYS CB C 13 32.871 0 . . . . . . . 125 K CB . 52697 1 522 . 1 . 1 126 126 VAL H H 1 7.978 0 . . . . . . . 126 V HN . 52697 1 523 . 1 . 1 126 126 VAL C C 13 176.101 0.016 . . . . . . . 126 V CO . 52697 1 524 . 1 . 1 126 126 VAL CA C 13 62.467 0.007 . . . . . . . 126 V CA . 52697 1 525 . 1 . 1 126 126 VAL CB C 13 30.79 0 . . . . . . . 126 V CB . 52697 1 526 . 1 . 1 126 126 VAL N N 15 122.374 0 . . . . . . . 126 V N . 52697 1 527 . 1 . 1 127 127 GLN H H 1 8.288 0 . . . . . . . 127 Q HN . 52697 1 528 . 1 . 1 127 127 GLN C C 13 175.673 0.008 . . . . . . . 127 Q CO . 52697 1 529 . 1 . 1 127 127 GLN CA C 13 55.52 0.024 . . . . . . . 127 Q CA . 52697 1 530 . 1 . 1 127 127 GLN CB C 13 29.69 0.03 . . . . . . . 127 Q CB . 52697 1 531 . 1 . 1 127 127 GLN N N 15 125.357 0 . . . . . . . 127 Q N . 52697 1 532 . 1 . 1 128 128 ILE H H 1 8.141 0 . . . . . . . 128 I HN . 52697 1 533 . 1 . 1 128 128 ILE C C 13 176.231 0.001 . . . . . . . 128 I CO . 52697 1 534 . 1 . 1 128 128 ILE CA C 13 61.058 0.009 . . . . . . . 128 I CA . 52697 1 535 . 1 . 1 128 128 ILE CB C 13 38.458 0.054 . . . . . . . 128 I CB . 52697 1 536 . 1 . 1 128 128 ILE N N 15 124.297 0 . . . . . . . 128 I N . 52697 1 537 . 1 . 1 129 129 ILE H H 1 8.107 0 . . . . . . . 129 I HN . 52697 1 538 . 1 . 1 129 129 ILE C C 13 175.812 0.006 . . . . . . . 129 I CO . 52697 1 539 . 1 . 1 129 129 ILE N N 15 126.316 0 . . . . . . . 129 I N . 52697 1 540 . 1 . 1 130 130 ASN H H 1 8.354 0 . . . . . . . 130 N HN . 52697 1 541 . 1 . 1 130 130 ASN C C 13 175.162 0.008 . . . . . . . 130 N CO . 52697 1 542 . 1 . 1 130 130 ASN CA C 13 53.023 0.002 . . . . . . . 130 N CA . 52697 1 543 . 1 . 1 130 130 ASN CB C 13 38.934 0.042 . . . . . . . 130 N CB . 52697 1 544 . 1 . 1 130 130 ASN N N 15 124.019 0 . . . . . . . 130 N N . 52697 1 545 . 1 . 1 131 131 LYS H H 1 8.163 0 . . . . . . . 131 K HN . 52697 1 546 . 1 . 1 131 131 LYS C C 13 176.566 0 . . . . . . . 131 K CO . 52697 1 547 . 1 . 1 131 131 LYS CA C 13 56.111 0 . . . . . . . 131 K CA . 52697 1 548 . 1 . 1 131 131 LYS CB C 13 33.054 0.005 . . . . . . . 131 K CB . 52697 1 549 . 1 . 1 131 131 LYS N N 15 123.045 0 . . . . . . . 131 K N . 52697 1 550 . 1 . 1 132 132 LYS H H 1 8.132 0 . . . . . . . 132 K HN . 52697 1 551 . 1 . 1 132 132 LYS C C 13 176.656 0 . . . . . . . 132 K CO . 52697 1 552 . 1 . 1 132 132 LYS CA C 13 56.733 0.19 . . . . . . . 132 K CA . 52697 1 553 . 1 . 1 132 132 LYS CB C 13 32.824 0 . . . . . . . 132 K CB . 52697 1 554 . 1 . 1 132 132 LYS N N 15 122.018 0 . . . . . . . 132 K N . 52697 1 555 . 1 . 1 133 133 LEU H H 1 7.915 0 . . . . . . . 133 L HN . 52697 1 556 . 1 . 1 133 133 LEU C C 13 176.863 0.022 . . . . . . . 133 L CO . 52697 1 557 . 1 . 1 133 133 LEU CA C 13 55.103 0.009 . . . . . . . 133 L CA . 52697 1 558 . 1 . 1 133 133 LEU CB C 13 42.45 0.005 . . . . . . . 133 L CB . 52697 1 559 . 1 . 1 133 133 LEU N N 15 123.414 0 . . . . . . . 133 L N . 52697 1 560 . 1 . 1 134 134 ASP H H 1 8.11 0 . . . . . . . 134 D HN . 52697 1 561 . 1 . 1 134 134 ASP C C 13 176.61 0.003 . . . . . . . 134 D CO . 52697 1 562 . 1 . 1 134 134 ASP CA C 13 53.95 0 . . . . . . . 134 D CA . 52697 1 563 . 1 . 1 134 134 ASP CB C 13 40.936 0.009 . . . . . . . 134 D CB . 52697 1 564 . 1 . 1 134 134 ASP N N 15 121.867 0 . . . . . . . 134 D N . 52697 1 565 . 1 . 1 135 135 LEU H H 1 8.161 0 . . . . . . . 135 L HN . 52697 1 566 . 1 . 1 135 135 LEU C C 13 178.05 0.015 . . . . . . . 135 L CO . 52697 1 567 . 1 . 1 135 135 LEU CA C 13 55.258 0.014 . . . . . . . 135 L CA . 52697 1 568 . 1 . 1 135 135 LEU CB C 13 41.696 0.019 . . . . . . . 135 L CB . 52697 1 569 . 1 . 1 135 135 LEU N N 15 123.997 0 . . . . . . . 135 L N . 52697 1 570 . 1 . 1 136 136 SER H H 1 8.11 0 . . . . . . . 136 S HN . 52697 1 571 . 1 . 1 136 136 SER C C 13 174.721 0.003 . . . . . . . 136 S CO . 52697 1 572 . 1 . 1 136 136 SER CA C 13 59.539 0 . . . . . . . 136 S CA . 52697 1 573 . 1 . 1 136 136 SER CB C 13 63.508 0.01 . . . . . . . 136 S CB . 52697 1 574 . 1 . 1 136 136 SER N N 15 115.91 0 . . . . . . . 136 S N . 52697 1 575 . 1 . 1 137 137 ASN H H 1 8.038 0 . . . . . . . 137 N HN . 52697 1 576 . 1 . 1 137 137 ASN C C 13 175.402 0.002 . . . . . . . 137 N CO . 52697 1 577 . 1 . 1 137 137 ASN CA C 13 53.328 0.021 . . . . . . . 137 N CA . 52697 1 578 . 1 . 1 137 137 ASN CB C 13 38.803 0.005 . . . . . . . 137 N CB . 52697 1 579 . 1 . 1 137 137 ASN N N 15 120.168 0 . . . . . . . 137 N N . 52697 1 580 . 1 . 1 138 138 VAL H H 1 7.702 0 . . . . . . . 138 V HN . 52697 1 581 . 1 . 1 138 138 VAL C C 13 176.562 0.006 . . . . . . . 138 V CO . 52697 1 582 . 1 . 1 138 138 VAL CA C 13 62.915 0.018 . . . . . . . 138 V CA . 52697 1 583 . 1 . 1 138 138 VAL CB C 13 32.482 0.014 . . . . . . . 138 V CB . 52697 1 584 . 1 . 1 138 138 VAL N N 15 120.179 0 . . . . . . . 138 V N . 52697 1 585 . 1 . 1 139 139 GLN H H 1 8.232 0 . . . . . . . 139 Q HN . 52697 1 586 . 1 . 1 139 139 GLN C C 13 176.331 0.009 . . . . . . . 139 Q CO . 52697 1 587 . 1 . 1 139 139 GLN CA C 13 55.982 0.021 . . . . . . . 139 Q CA . 52697 1 588 . 1 . 1 139 139 GLN CB C 13 29.331 0.014 . . . . . . . 139 Q CB . 52697 1 589 . 1 . 1 139 139 GLN N N 15 123.824 0 . . . . . . . 139 Q N . 52697 1 590 . 1 . 1 140 140 SER H H 1 8.116 0 . . . . . . . 140 S HN . 52697 1 591 . 1 . 1 140 140 SER C C 13 174.865 0 . . . . . . . 140 S CO . 52697 1 592 . 1 . 1 140 140 SER CA C 13 58.519 0.049 . . . . . . . 140 S CA . 52697 1 593 . 1 . 1 140 140 SER CB C 13 63.747 0.005 . . . . . . . 140 S CB . 52697 1 594 . 1 . 1 140 140 SER N N 15 117.317 0 . . . . . . . 140 S N . 52697 1 595 . 1 . 1 141 141 LYS H H 1 8.189 0 . . . . . . . 141 K HN . 52697 1 596 . 1 . 1 141 141 LYS CA C 13 56.453 0 . . . . . . . 141 K CA . 52697 1 597 . 1 . 1 141 141 LYS CB C 13 33.04 0 . . . . . . . 141 K CB . 52697 1 598 . 1 . 1 141 141 LYS N N 15 123.658 0 . . . . . . . 141 K N . 52697 1 599 . 1 . 1 147 147 ASN C C 13 175.176 0 . . . . . . . 147 N CO . 52697 1 600 . 1 . 1 147 147 ASN CA C 13 53.312 0 . . . . . . . 147 N CA . 52697 1 601 . 1 . 1 147 147 ASN CB C 13 38.723 0 . . . . . . . 147 N CB . 52697 1 602 . 1 . 1 148 148 ILE H H 1 7.756 0 . . . . . . . 148 I HN . 52697 1 603 . 1 . 1 148 148 ILE C C 13 176.192 0.007 . . . . . . . 148 I CO . 52697 1 604 . 1 . 1 148 148 ILE CA C 13 61.274 0 . . . . . . . 148 I CA . 52697 1 605 . 1 . 1 148 148 ILE CB C 13 38.35 0.096 . . . . . . . 148 I CB . 52697 1 606 . 1 . 1 148 148 ILE N N 15 121.002 0 . . . . . . . 148 I N . 52697 1 607 . 1 . 1 149 149 LYS H H 1 8.099 0 . . . . . . . 149 K HN . 52697 1 608 . 1 . 1 149 149 LYS C C 13 174.123 0 . . . . . . . 149 K CO . 52697 1 609 . 1 . 1 149 149 LYS N N 15 125.387 0 . . . . . . . 149 K N . 52697 1 610 . 1 . 1 150 150 HIS H H 1 8.125 0 . . . . . . . 150 H HN . 52697 1 611 . 1 . 1 150 150 HIS C C 13 174.848 0.017 . . . . . . . 150 H CO . 52697 1 612 . 1 . 1 150 150 HIS CA C 13 56.287 0.11 . . . . . . . 150 H CA . 52697 1 613 . 1 . 1 150 150 HIS CB C 13 30.766 0.033 . . . . . . . 150 H CB . 52697 1 614 . 1 . 1 150 150 HIS N N 15 123.238 0 . . . . . . . 150 H N . 52697 1 615 . 1 . 1 151 151 VAL H H 1 7.94 0 . . . . . . . 151 V HN . 52697 1 616 . 1 . 1 151 151 VAL C C 13 174.345 0.009 . . . . . . . 151 V CO . 52697 1 617 . 1 . 1 151 151 VAL CA C 13 59.695 0.027 . . . . . . . 151 V CA . 52697 1 618 . 1 . 1 151 151 VAL CB C 13 32.715 0.004 . . . . . . . 151 V CB . 52697 1 619 . 1 . 1 151 151 VAL N N 15 124.541 0 . . . . . . . 151 V N . 52697 1 620 . 1 . 1 152 152 PRO C C 13 177.793 0 . . . . . . . 152 P CO . 52697 1 621 . 1 . 1 152 152 PRO CA C 13 63.518 0 . . . . . . . 152 P CA . 52697 1 622 . 1 . 1 152 152 PRO CB C 13 32.355 0 . . . . . . . 152 P CB . 52697 1 623 . 1 . 1 152 152 PRO N N 15 139.784 0 . . . . . . . 152 P N . 52697 1 624 . 1 . 1 155 155 GLY C C 13 174.238 0 . . . . . . . 155 G CO . 52697 1 625 . 1 . 1 155 155 GLY CA C 13 45.158 0 . . . . . . . 155 G CA . 52697 1 626 . 1 . 1 156 156 SER H H 1 8.014 0 . . . . . . . 156 S HN . 52697 1 627 . 1 . 1 156 156 SER C C 13 174.656 0.004 . . . . . . . 156 S CO . 52697 1 628 . 1 . 1 156 156 SER CA C 13 58.319 0.038 . . . . . . . 156 S CA . 52697 1 629 . 1 . 1 156 156 SER CB C 13 63.879 0.023 . . . . . . . 156 S CB . 52697 1 630 . 1 . 1 156 156 SER N N 15 115.562 0 . . . . . . . 156 S N . 52697 1 631 . 1 . 1 157 157 VAL H H 1 7.959 0 . . . . . . . 157 V HN . 52697 1 632 . 1 . 1 157 157 VAL C C 13 176.065 0.009 . . . . . . . 157 V CO . 52697 1 633 . 1 . 1 157 157 VAL CA C 13 62.261 0.007 . . . . . . . 157 V CA . 52697 1 634 . 1 . 1 157 157 VAL CB C 13 32.759 0 . . . . . . . 157 V CB . 52697 1 635 . 1 . 1 157 157 VAL N N 15 121.931 0 . . . . . . . 157 V N . 52697 1 636 . 1 . 1 158 158 GLN H H 1 8.228 0 . . . . . . . 158 Q HN . 52697 1 637 . 1 . 1 158 158 GLN C C 13 175.667 0.009 . . . . . . . 158 Q CO . 52697 1 638 . 1 . 1 158 158 GLN CA C 13 55.534 0.01 . . . . . . . 158 Q CA . 52697 1 639 . 1 . 1 158 158 GLN CB C 13 29.603 0.014 . . . . . . . 158 Q CB . 52697 1 640 . 1 . 1 158 158 GLN N N 15 124.938 0 . . . . . . . 158 Q N . 52697 1 641 . 1 . 1 159 159 ILE H H 1 8.075 0 . . . . . . . 159 I HN . 52697 1 642 . 1 . 1 159 159 ILE C C 13 175.834 0.013 . . . . . . . 159 I CO . 52697 1 643 . 1 . 1 159 159 ILE CA C 13 61.058 0 . . . . . . . 159 I CA . 52697 1 644 . 1 . 1 159 159 ILE CB C 13 38.575 0.035 . . . . . . . 159 I CB . 52697 1 645 . 1 . 1 159 159 ILE N N 15 124.44 0 . . . . . . . 159 I N . 52697 1 646 . 1 . 1 160 160 VAL H H 1 7.996 0 . . . . . . . 160 V HN . 52697 1 647 . 1 . 1 160 160 VAL C C 13 175.568 0.014 . . . . . . . 160 V CO . 52697 1 648 . 1 . 1 160 160 VAL CA C 13 61.965 0.012 . . . . . . . 160 V CA . 52697 1 649 . 1 . 1 160 160 VAL CB C 13 32.878 0.054 . . . . . . . 160 V CB . 52697 1 650 . 1 . 1 160 160 VAL N N 15 125.979 0 . . . . . . . 160 V N . 52697 1 651 . 1 . 1 161 161 TYR H H 1 8.252 0 . . . . . . . 161 Y HN . 52697 1 652 . 1 . 1 161 161 TYR C C 13 175.158 0.01 . . . . . . . 161 Y CO . 52697 1 653 . 1 . 1 161 161 TYR CA C 13 57.951 0.012 . . . . . . . 161 Y CA . 52697 1 654 . 1 . 1 161 161 TYR CB C 13 38.983 0.002 . . . . . . . 161 Y CB . 52697 1 655 . 1 . 1 161 161 TYR N N 15 126.458 0 . . . . . . . 161 Y N . 52697 1 656 . 1 . 1 162 162 LYS H H 1 7.952 0 . . . . . . . 162 K HN . 52697 1 657 . 1 . 1 162 162 LYS C C 13 173.606 0.007 . . . . . . . 162 K CO . 52697 1 658 . 1 . 1 162 162 LYS CA C 13 53.669 0.01 . . . . . . . 162 K CA . 52697 1 659 . 1 . 1 162 162 LYS CB C 13 33.032 0.09 . . . . . . . 162 K CB . 52697 1 660 . 1 . 1 162 162 LYS N N 15 126.075 0 . . . . . . . 162 K N . 52697 1 661 . 1 . 1 163 163 PRO C C 13 176.837 0.086 . . . . . . . 163 P CO . 52697 1 662 . 1 . 1 163 163 PRO CA C 13 62.965 0.069 . . . . . . . 163 P CA . 52697 1 663 . 1 . 1 163 163 PRO CB C 13 32.262 0.028 . . . . . . . 163 P CB . 52697 1 664 . 1 . 1 163 163 PRO N N 15 136.538 0 . . . . . . . 163 P N . 52697 1 665 . 1 . 1 164 164 VAL H H 1 7.981 0 . . . . . . . 164 V HN . 52697 1 666 . 1 . 1 164 164 VAL C C 13 175.73 0.009 . . . . . . . 164 V CO . 52697 1 667 . 1 . 1 164 164 VAL CA C 13 62.411 0.007 . . . . . . . 164 V CA . 52697 1 668 . 1 . 1 164 164 VAL CB C 13 32.96 0.098 . . . . . . . 164 V CB . 52697 1 669 . 1 . 1 164 164 VAL N N 15 120.739 0 . . . . . . . 164 V N . 52697 1 670 . 1 . 1 165 165 ASP H H 1 8.181 0 . . . . . . . 165 D HN . 52697 1 671 . 1 . 1 165 165 ASP C C 13 176.76 0.006 . . . . . . . 165 D CO . 52697 1 672 . 1 . 1 165 165 ASP CA C 13 53.56 0.005 . . . . . . . 165 D CA . 52697 1 673 . 1 . 1 165 165 ASP CB C 13 40.929 0.012 . . . . . . . 165 D CB . 52697 1 674 . 1 . 1 165 165 ASP N N 15 124.463 0 . . . . . . . 165 D N . 52697 1 675 . 1 . 1 166 166 LEU H H 1 8.343 0 . . . . . . . 166 L HN . 52697 1 676 . 1 . 1 166 166 LEU C C 13 178.155 0.001 . . . . . . . 166 L CO . 52697 1 677 . 1 . 1 166 166 LEU CA C 13 55.565 0.007 . . . . . . . 166 L CA . 52697 1 678 . 1 . 1 166 166 LEU CB C 13 41.647 0.017 . . . . . . . 166 L CB . 52697 1 679 . 1 . 1 166 166 LEU N N 15 125.426 0 . . . . . . . 166 L N . 52697 1 680 . 1 . 1 167 167 SER H H 1 8.165 0 . . . . . . . 167 S HN . 52697 1 681 . 1 . 1 167 167 SER C C 13 175.041 0.011 . . . . . . . 167 S CO . 52697 1 682 . 1 . 1 167 167 SER CA C 13 59.813 0.007 . . . . . . . 167 S CA . 52697 1 683 . 1 . 1 167 167 SER CB C 13 63.48 0.057 . . . . . . . 167 S CB . 52697 1 684 . 1 . 1 167 167 SER N N 15 116.019 0 . . . . . . . 167 S N . 52697 1 685 . 1 . 1 168 168 LYS H H 1 7.687 0 . . . . . . . 168 K HN . 52697 1 686 . 1 . 1 168 168 LYS C C 13 176.734 0.009 . . . . . . . 168 K CO . 52697 1 687 . 1 . 1 168 168 LYS CA C 13 56.127 0.003 . . . . . . . 168 K CA . 52697 1 688 . 1 . 1 168 168 LYS CB C 13 32.881 0.01 . . . . . . . 168 K CB . 52697 1 689 . 1 . 1 168 168 LYS N N 15 121.939 0 . . . . . . . 168 K N . 52697 1 690 . 1 . 1 169 169 VAL H H 1 7.688 0 . . . . . . . 169 V HN . 52697 1 691 . 1 . 1 169 169 VAL C C 13 176.632 0.022 . . . . . . . 169 V CO . 52697 1 692 . 1 . 1 169 169 VAL CA C 13 62.661 0.014 . . . . . . . 169 V CA . 52697 1 693 . 1 . 1 169 169 VAL CB C 13 32.487 0.141 . . . . . . . 169 V CB . 52697 1 694 . 1 . 1 169 169 VAL N N 15 121.09 0 . . . . . . . 169 V N . 52697 1 695 . 1 . 1 170 170 THR H H 1 8.033 0 . . . . . . . 170 T HN . 52697 1 696 . 1 . 1 170 170 THR C C 13 174.703 0.002 . . . . . . . 170 T CO . 52697 1 697 . 1 . 1 170 170 THR CA C 13 61.85 0.024 . . . . . . . 170 T CA . 52697 1 698 . 1 . 1 170 170 THR CB C 13 69.894 0.047 . . . . . . . 170 T CB . 52697 1 699 . 1 . 1 170 170 THR N N 15 118.221 0 . . . . . . . 170 T N . 52697 1 700 . 1 . 1 171 171 SER H H 1 8.098 0 . . . . . . . 171 S HN . 52697 1 701 . 1 . 1 171 171 SER C C 13 174.798 0.009 . . . . . . . 171 S CO . 52697 1 702 . 1 . 1 171 171 SER CA C 13 58.434 0.022 . . . . . . . 171 S CA . 52697 1 703 . 1 . 1 171 171 SER CB C 13 63.794 0.014 . . . . . . . 171 S CB . 52697 1 704 . 1 . 1 171 171 SER N N 15 118.416 0 . . . . . . . 171 S N . 52697 1 705 . 1 . 1 172 172 LYS H H 1 8.237 0 . . . . . . . 172 K HN . 52697 1 706 . 1 . 1 172 172 LYS C C 13 176.805 0 . . . . . . . 172 K CO . 52697 1 707 . 1 . 1 172 172 LYS CA C 13 56.566 0.009 . . . . . . . 172 K CA . 52697 1 708 . 1 . 1 172 172 LYS CB C 13 32.848 0.042 . . . . . . . 172 K CB . 52697 1 709 . 1 . 1 172 172 LYS N N 15 123.436 0 . . . . . . . 172 K N . 52697 1 710 . 1 . 1 173 173 CYS H H 1 8.121 0 . . . . . . . 173 C HN . 52697 1 711 . 1 . 1 173 173 CYS C C 13 175.421 0.026 . . . . . . . 173 C CO . 52697 1 712 . 1 . 1 173 173 CYS CA C 13 58.978 0.017 . . . . . . . 173 C CA . 52697 1 713 . 1 . 1 173 173 CYS CB C 13 28.127 0.01 . . . . . . . 173 C CB . 52697 1 714 . 1 . 1 173 173 CYS N N 15 120.174 0 . . . . . . . 173 C N . 52697 1 715 . 1 . 1 174 174 GLY H H 1 8.244 0 . . . . . . . 174 G HN . 52697 1 716 . 1 . 1 174 174 GLY C C 13 174.347 0.013 . . . . . . . 174 G CO . 52697 1 717 . 1 . 1 174 174 GLY CA C 13 45.387 0.015 . . . . . . . 174 G CA . 52697 1 718 . 1 . 1 174 174 GLY N N 15 111.632 0 . . . . . . . 174 G N . 52697 1 719 . 1 . 1 175 175 SER H H 1 8.064 0 . . . . . . . 175 S HN . 52697 1 720 . 1 . 1 175 175 SER C C 13 175.025 0.026 . . . . . . . 175 S CO . 52697 1 721 . 1 . 1 175 175 SER CA C 13 57.651 0.949 . . . . . . . 175 S CA . 52697 1 722 . 1 . 1 175 175 SER CB C 13 63.791 0.022 . . . . . . . 175 S CB . 52697 1 723 . 1 . 1 175 175 SER N N 15 115.892 0 . . . . . . . 175 S N . 52697 1 724 . 1 . 1 176 176 LEU H H 1 8.127 0 . . . . . . . 176 L HN . 52697 1 725 . 1 . 1 176 176 LEU C C 13 178.091 0.005 . . . . . . . 176 L CO . 52697 1 726 . 1 . 1 176 176 LEU CA C 13 55.546 0.002 . . . . . . . 176 L CA . 52697 1 727 . 1 . 1 176 176 LEU CB C 13 42.112 0.051 . . . . . . . 176 L CB . 52697 1 728 . 1 . 1 176 176 LEU N N 15 123.656 0 . . . . . . . 176 L N . 52697 1 729 . 1 . 1 177 177 GLY H H 1 8.076 0 . . . . . . . 177 G HN . 52697 1 730 . 1 . 1 177 177 GLY C C 13 173.871 0.006 . . . . . . . 177 G CO . 52697 1 731 . 1 . 1 177 177 GLY CA C 13 45.304 0 . . . . . . . 177 G CA . 52697 1 732 . 1 . 1 177 177 GLY N N 15 108.737 0 . . . . . . . 177 G N . 52697 1 733 . 1 . 1 178 178 ASN H H 1 8.011 0 . . . . . . . 178 N HN . 52697 1 734 . 1 . 1 178 178 ASN C C 13 175.48 0.006 . . . . . . . 178 N CO . 52697 1 735 . 1 . 1 178 178 ASN CA C 13 53.138 0.015 . . . . . . . 178 N CA . 52697 1 736 . 1 . 1 178 178 ASN N N 15 118.507 0 . . . . . . . 178 N N . 52697 1 737 . 1 . 1 179 179 ILE H H 1 7.773 0 . . . . . . . 179 I HN . 52697 1 738 . 1 . 1 179 179 ILE C C 13 176.025 0 . . . . . . . 179 I CO . 52697 1 739 . 1 . 1 179 179 ILE CA C 13 61.527 0 . . . . . . . 179 I CA . 52697 1 740 . 1 . 1 179 179 ILE N N 15 120.485 0 . . . . . . . 179 I N . 52697 1 741 . 1 . 1 180 180 HIS C C 13 174.984 0 . . . . . . . 180 H CO . 52697 1 742 . 1 . 1 180 180 HIS CA C 13 55.896 0 . . . . . . . 180 H CA . 52697 1 743 . 1 . 1 180 180 HIS CB C 13 30.761 0 . . . . . . . 180 H CB . 52697 1 744 . 1 . 1 181 181 HIS H H 1 7.944 0 . . . . . . . 181 H HN . 52697 1 745 . 1 . 1 181 181 HIS C C 13 174.886 0.009 . . . . . . . 181 H CO . 52697 1 746 . 1 . 1 181 181 HIS CA C 13 56.085 0.007 . . . . . . . 181 H CA . 52697 1 747 . 1 . 1 181 181 HIS CB C 13 30.874 0 . . . . . . . 181 H CB . 52697 1 748 . 1 . 1 181 181 HIS N N 15 121.355 0 . . . . . . . 181 H N . 52697 1 749 . 1 . 1 182 182 LYS H H 1 8.152 0 . . . . . . . 182 K HN . 52697 1 750 . 1 . 1 182 182 LYS C C 13 174.418 0.004 . . . . . . . 182 K CO . 52697 1 751 . 1 . 1 182 182 LYS CA C 13 54.186 0.039 . . . . . . . 182 K CA . 52697 1 752 . 1 . 1 182 182 LYS CB C 13 32.599 0.056 . . . . . . . 182 K CB . 52697 1 753 . 1 . 1 182 182 LYS N N 15 124.64 0 . . . . . . . 182 K N . 52697 1 754 . 1 . 1 183 183 PRO CA C 13 63.353 0 . . . . . . . 183 P CA . 52697 1 755 . 1 . 1 183 183 PRO CB C 13 32.178 0 . . . . . . . 183 P CB . 52697 1 756 . 1 . 1 183 183 PRO N N 15 137.344 0 . . . . . . . 183 P N . 52697 1 757 . 1 . 1 185 185 GLY C C 13 174.871 0 . . . . . . . 185 G CO . 52697 1 758 . 1 . 1 185 185 GLY CA C 13 45.388 0 . . . . . . . 185 G CA . 52697 1 759 . 1 . 1 186 186 GLY H H 1 8.096 0 . . . . . . . 186 G HN . 52697 1 760 . 1 . 1 186 186 GLY C C 13 174.123 0.013 . . . . . . . 186 G CO . 52697 1 761 . 1 . 1 186 186 GLY CA C 13 45.111 0.018 . . . . . . . 186 G CA . 52697 1 762 . 1 . 1 186 186 GLY N N 15 108.665 0 . . . . . . . 186 G N . 52697 1 763 . 1 . 1 187 187 GLN H H 1 8.036 0 . . . . . . . 187 Q HN . 52697 1 764 . 1 . 1 187 187 GLN C C 13 176.089 0.021 . . . . . . . 187 Q CO . 52697 1 765 . 1 . 1 187 187 GLN CA C 13 55.71 0.011 . . . . . . . 187 Q CA . 52697 1 766 . 1 . 1 187 187 GLN CB C 13 29.57 0.01 . . . . . . . 187 Q CB . 52697 1 767 . 1 . 1 187 187 GLN N N 15 119.737 0 . . . . . . . 187 Q N . 52697 1 768 . 1 . 1 188 188 VAL H H 1 8.004 0 . . . . . . . 188 V HN . 52697 1 769 . 1 . 1 188 188 VAL C C 13 176.107 0 . . . . . . . 188 V CO . 52697 1 770 . 1 . 1 188 188 VAL CA C 13 62.338 0.014 . . . . . . . 188 V CA . 52697 1 771 . 1 . 1 188 188 VAL CB C 13 32.846 0.003 . . . . . . . 188 V CB . 52697 1 772 . 1 . 1 188 188 VAL N N 15 121.917 0 . . . . . . . 188 V N . 52697 1 773 . 1 . 1 189 189 GLU H H 1 8.29 0 . . . . . . . 189 E HN . 52697 1 774 . 1 . 1 189 189 GLU C C 13 176.264 0 . . . . . . . 189 E CO . 52697 1 775 . 1 . 1 189 189 GLU CA C 13 56.29 0.01 . . . . . . . 189 E CA . 52697 1 776 . 1 . 1 189 189 GLU CB C 13 30.562 0.031 . . . . . . . 189 E CB . 52697 1 777 . 1 . 1 189 189 GLU N N 15 125.645 0 . . . . . . . 189 E N . 52697 1 778 . 1 . 1 190 190 VAL H H 1 8.151 0 . . . . . . . 190 V HN . 52697 1 779 . 1 . 1 190 190 VAL C C 13 176.223 0 . . . . . . . 190 V CO . 52697 1 780 . 1 . 1 190 190 VAL CA C 13 62.312 0.002 . . . . . . . 190 V CA . 52697 1 781 . 1 . 1 190 190 VAL CB C 13 32.747 0.012 . . . . . . . 190 V CB . 52697 1 782 . 1 . 1 190 190 VAL N N 15 123.645 0 . . . . . . . 190 V N . 52697 1 783 . 1 . 1 191 191 LYS H H 1 8.297 0 . . . . . . . 191 K HN . 52697 1 784 . 1 . 1 191 191 LYS C C 13 176.572 0.001 . . . . . . . 191 K CO . 52697 1 785 . 1 . 1 191 191 LYS CA C 13 56.231 0.003 . . . . . . . 191 K CA . 52697 1 786 . 1 . 1 191 191 LYS CB C 13 33.059 0 . . . . . . . 191 K CB . 52697 1 787 . 1 . 1 191 191 LYS N N 15 126.449 0 . . . . . . . 191 K N . 52697 1 788 . 1 . 1 192 192 SER H H 1 8.179 0 . . . . . . . 192 S HN . 52697 1 789 . 1 . 1 192 192 SER C C 13 174.665 0.016 . . . . . . . 192 S CO . 52697 1 790 . 1 . 1 192 192 SER CA C 13 58.308 0.007 . . . . . . . 192 S CA . 52697 1 791 . 1 . 1 192 192 SER CB C 13 63.803 0.005 . . . . . . . 192 S CB . 52697 1 792 . 1 . 1 192 192 SER N N 15 117.791 0 . . . . . . . 192 S N . 52697 1 793 . 1 . 1 193 193 GLU H H 1 8.308 0 . . . . . . . 193 E HN . 52697 1 794 . 1 . 1 193 193 GLU C C 13 176.413 0.013 . . . . . . . 193 E CO . 52697 1 795 . 1 . 1 193 193 GLU CA C 13 56.564 0.021 . . . . . . . 193 E CA . 52697 1 796 . 1 . 1 193 193 GLU CB C 13 30.349 0.047 . . . . . . . 193 E CB . 52697 1 797 . 1 . 1 193 193 GLU N N 15 123.378 0 . . . . . . . 193 E N . 52697 1 798 . 1 . 1 194 194 LYS H H 1 8.102 0 . . . . . . . 194 K HN . 52697 1 799 . 1 . 1 194 194 LYS C C 13 176.603 0.027 . . . . . . . 194 K CO . 52697 1 800 . 1 . 1 194 194 LYS CA C 13 56.33 0.03 . . . . . . . 194 K CA . 52697 1 801 . 1 . 1 194 194 LYS CB C 13 32.815 0 . . . . . . . 194 K CB . 52697 1 802 . 1 . 1 194 194 LYS N N 15 122.341 0 . . . . . . . 194 K N . 52697 1 803 . 1 . 1 195 195 LEU H H 1 8.02 0 . . . . . . . 195 L HN . 52697 1 804 . 1 . 1 195 195 LEU C C 13 176.949 0.002 . . . . . . . 195 L CO . 52697 1 805 . 1 . 1 195 195 LEU CA C 13 55.035 0.012 . . . . . . . 195 L CA . 52697 1 806 . 1 . 1 195 195 LEU CB C 13 42.347 0.023 . . . . . . . 195 L CB . 52697 1 807 . 1 . 1 195 195 LEU N N 15 123.55 0 . . . . . . . 195 L N . 52697 1 808 . 1 . 1 196 196 ASP H H 1 8.083 0 . . . . . . . 196 D HN . 52697 1 809 . 1 . 1 196 196 ASP C C 13 176.173 0.01 . . . . . . . 196 D CO . 52697 1 810 . 1 . 1 196 196 ASP CA C 13 54.041 0.021 . . . . . . . 196 D CA . 52697 1 811 . 1 . 1 196 196 ASP CB C 13 41.386 0 . . . . . . . 196 D CB . 52697 1 812 . 1 . 1 196 196 ASP N N 15 121.126 0 . . . . . . . 196 D N . 52697 1 813 . 1 . 1 197 197 PHE H H 1 7.967 0 . . . . . . . 197 F HN . 52697 1 814 . 1 . 1 197 197 PHE C C 13 176.353 0.018 . . . . . . . 197 F CO . 52697 1 815 . 1 . 1 197 197 PHE CA C 13 58.469 0.057 . . . . . . . 197 F CA . 52697 1 816 . 1 . 1 197 197 PHE CB C 13 39.271 0.004 . . . . . . . 197 F CB . 52697 1 817 . 1 . 1 197 197 PHE N N 15 121.112 0 . . . . . . . 197 F N . 52697 1 818 . 1 . 1 198 198 LYS C C 13 176.369 0 . . . . . . . 198 K CO . 52697 1 819 . 1 . 1 198 198 LYS CA C 13 56.934 0.046 . . . . . . . 198 K CA . 52697 1 820 . 1 . 1 198 198 LYS CB C 13 32.653 0.031 . . . . . . . 198 K CB . 52697 1 821 . 1 . 1 198 198 LYS N N 15 121.719 0 . . . . . . . 198 K N . 52697 1 822 . 1 . 1 199 199 ASP H H 1 7.898 0 . . . . . . . 199 D HN . 52697 1 823 . 1 . 1 199 199 ASP C C 13 176.235 0.005 . . . . . . . 199 D CO . 52697 1 824 . 1 . 1 199 199 ASP CA C 13 54.559 0 . . . . . . . 199 D CA . 52697 1 825 . 1 . 1 199 199 ASP CB C 13 41.123 0.029 . . . . . . . 199 D CB . 52697 1 826 . 1 . 1 199 199 ASP N N 15 120.049 0 . . . . . . . 199 D N . 52697 1 827 . 1 . 1 200 200 ARG H H 1 7.784 0 . . . . . . . 200 R HN . 52697 1 828 . 1 . 1 200 200 ARG C C 13 176.565 0.007 . . . . . . . 200 R CO . 52697 1 829 . 1 . 1 200 200 ARG CA C 13 56.372 0.012 . . . . . . . 200 R CA . 52697 1 830 . 1 . 1 200 200 ARG CB C 13 30.785 0.014 . . . . . . . 200 R CB . 52697 1 831 . 1 . 1 200 200 ARG N N 15 120.843 0 . . . . . . . 200 R N . 52697 1 832 . 1 . 1 201 201 VAL H H 1 7.949 0 . . . . . . . 201 V HN . 52697 1 833 . 1 . 1 201 201 VAL C C 13 176.595 0.027 . . . . . . . 201 V CO . 52697 1 834 . 1 . 1 201 201 VAL CA C 13 62.84 0.018 . . . . . . . 201 V CA . 52697 1 835 . 1 . 1 201 201 VAL CB C 13 32.445 0.145 . . . . . . . 201 V CB . 52697 1 836 . 1 . 1 201 201 VAL N N 15 121.744 0 . . . . . . . 201 V N . 52697 1 837 . 1 . 1 202 202 GLN H H 1 8.276 0 . . . . . . . 202 Q HN . 52697 1 838 . 1 . 1 202 202 GLN C C 13 176.179 0.009 . . . . . . . 202 Q CO . 52697 1 839 . 1 . 1 202 202 GLN CA C 13 55.928 0.018 . . . . . . . 202 Q CA . 52697 1 840 . 1 . 1 202 202 GLN CB C 13 29.42 0 . . . . . . . 202 Q CB . 52697 1 841 . 1 . 1 202 202 GLN N N 15 124.398 0 . . . . . . . 202 Q N . 52697 1 842 . 1 . 1 203 203 SER H H 1 8.142 0 . . . . . . . 203 S HN . 52697 1 843 . 1 . 1 203 203 SER C C 13 174.62 0.003 . . . . . . . 203 S CO . 52697 1 844 . 1 . 1 203 203 SER CA C 13 58.575 0.026 . . . . . . . 203 S CA . 52697 1 845 . 1 . 1 203 203 SER CB C 13 63.747 0.005 . . . . . . . 203 S CB . 52697 1 846 . 1 . 1 203 203 SER N N 15 117.611 0 . . . . . . . 203 S N . 52697 1 847 . 1 . 1 204 204 LYS H H 1 8.161 0 . . . . . . . 204 K HN . 52697 1 848 . 1 . 1 204 204 LYS C C 13 176.797 0 . . . . . . . 204 K CO . 52697 1 849 . 1 . 1 204 204 LYS CA C 13 56.373 0.037 . . . . . . . 204 K CA . 52697 1 850 . 1 . 1 204 204 LYS CB C 13 32.998 0.005 . . . . . . . 204 K CB . 52697 1 851 . 1 . 1 204 204 LYS N N 15 123.349 0 . . . . . . . 204 K N . 52697 1 852 . 1 . 1 205 205 ILE H H 1 7.958 0 . . . . . . . 205 I HN . 52697 1 853 . 1 . 1 205 205 ILE C C 13 177.035 0.008 . . . . . . . 205 I CO . 52697 1 854 . 1 . 1 205 205 ILE CA C 13 61.606 0.038 . . . . . . . 205 I CA . 52697 1 855 . 1 . 1 205 205 ILE CB C 13 38.432 0 . . . . . . . 205 I CB . 52697 1 856 . 1 . 1 205 205 ILE N N 15 122.461 0 . . . . . . . 205 I N . 52697 1 857 . 1 . 1 206 206 GLY H H 1 8.307 0 . . . . . . . 206 G HN . 52697 1 858 . 1 . 1 206 206 GLY C C 13 174.261 0.009 . . . . . . . 206 G CO . 52697 1 859 . 1 . 1 206 206 GLY CA C 13 45.242 0.005 . . . . . . . 206 G CA . 52697 1 860 . 1 . 1 206 206 GLY N N 15 113.486 0 . . . . . . . 206 G N . 52697 1 861 . 1 . 1 207 207 SER H H 1 7.931 0 . . . . . . . 207 S HN . 52697 1 862 . 1 . 1 207 207 SER C C 13 174.988 0.096 . . . . . . . 207 S CO . 52697 1 863 . 1 . 1 207 207 SER N N 15 115.437 0 . . . . . . . 207 S N . 52697 1 864 . 1 . 1 208 208 LEU H H 1 8.204 0 . . . . . . . 208 L HN . 52697 1 865 . 1 . 1 208 208 LEU C C 13 176.816 0 . . . . . . . 208 L CO . 52697 1 866 . 1 . 1 208 208 LEU N N 15 123.24 0 . . . . . . . 208 L N . 52697 1 867 . 1 . 1 210 210 ASN C C 13 175.185 0 . . . . . . . 210 N CO . 52697 1 868 . 1 . 1 210 210 ASN CA C 13 53.331 0 . . . . . . . 210 N CA . 52697 1 869 . 1 . 1 210 210 ASN CB C 13 38.732 0 . . . . . . . 210 N CB . 52697 1 870 . 1 . 1 211 211 ILE H H 1 7.81 0 . . . . . . . 211 I HN . 52697 1 871 . 1 . 1 211 211 ILE C C 13 176.535 0.002 . . . . . . . 211 I CO . 52697 1 872 . 1 . 1 211 211 ILE CA C 13 61.325 0.009 . . . . . . . 211 I CA . 52697 1 873 . 1 . 1 211 211 ILE CB C 13 38.653 0.061 . . . . . . . 211 I CB . 52697 1 874 . 1 . 1 211 211 ILE N N 15 120.704 0 . . . . . . . 211 I N . 52697 1 875 . 1 . 1 212 212 THR H H 1 8.017 0 . . . . . . . 212 T HN . 52697 1 876 . 1 . 1 212 212 THR C C 13 174.142 0 . . . . . . . 212 T CO . 52697 1 877 . 1 . 1 212 212 THR CA C 13 62.183 0 . . . . . . . 212 T CA . 52697 1 878 . 1 . 1 212 212 THR N N 15 118.507 0 . . . . . . . 212 T N . 52697 1 879 . 1 . 1 213 213 HIS C C 13 175.058 0 . . . . . . . 213 H CO . 52697 1 880 . 1 . 1 213 213 HIS CA C 13 56.177 0 . . . . . . . 213 H CA . 52697 1 881 . 1 . 1 213 213 HIS CB C 13 30.827 0 . . . . . . . 213 H CB . 52697 1 882 . 1 . 1 214 214 VAL H H 1 7.935 0 . . . . . . . 214 V HN . 52697 1 883 . 1 . 1 214 214 VAL C C 13 174.25 0.009 . . . . . . . 214 V CO . 52697 1 884 . 1 . 1 214 214 VAL CA C 13 59.724 0.002 . . . . . . . 214 V CA . 52697 1 885 . 1 . 1 214 214 VAL CB C 13 32.672 0.096 . . . . . . . 214 V CB . 52697 1 886 . 1 . 1 214 214 VAL N N 15 124.668 0 . . . . . . . 214 V N . 52697 1 887 . 1 . 1 215 215 PRO C C 13 177.981 0 . . . . . . . 215 P CO . 52697 1 888 . 1 . 1 215 215 PRO CA C 13 63.509 0 . . . . . . . 215 P CA . 52697 1 889 . 1 . 1 215 215 PRO N N 15 139.492 0 . . . . . . . 215 P N . 52697 1 890 . 1 . 1 217 217 GLY C C 13 175.103 0 . . . . . . . 217 G CO . 52697 1 891 . 1 . 1 217 217 GLY CA C 13 45.411 0 . . . . . . . 217 G CA . 52697 1 892 . 1 . 1 218 218 GLY H H 1 8.146 0 . . . . . . . 218 G HN . 52697 1 893 . 1 . 1 218 218 GLY C C 13 174.034 0.003 . . . . . . . 218 G CO . 52697 1 894 . 1 . 1 218 218 GLY CA C 13 45.196 0 . . . . . . . 218 G CA . 52697 1 895 . 1 . 1 218 218 GLY N N 15 108.677 0 . . . . . . . 218 G N . 52697 1 896 . 1 . 1 219 219 ASN H H 1 8.122 0 . . . . . . . 219 N HN . 52697 1 897 . 1 . 1 219 219 ASN C C 13 175.378 0.003 . . . . . . . 219 N CO . 52697 1 898 . 1 . 1 219 219 ASN CA C 13 53.234 0.012 . . . . . . . 219 N CA . 52697 1 899 . 1 . 1 219 219 ASN CB C 13 38.906 0.014 . . . . . . . 219 N CB . 52697 1 900 . 1 . 1 219 219 ASN N N 15 118.385 0 . . . . . . . 219 N N . 52697 1 901 . 1 . 1 220 220 LYS H H 1 8.069 0 . . . . . . . 220 K HN . 52697 1 902 . 1 . 1 220 220 LYS C C 13 176.576 0 . . . . . . . 220 K CO . 52697 1 903 . 1 . 1 220 220 LYS CA C 13 56.402 0 . . . . . . . 220 K CA . 52697 1 904 . 1 . 1 220 220 LYS CB C 13 32.965 0 . . . . . . . 220 K CB . 52697 1 905 . 1 . 1 220 220 LYS N N 15 121.822 0 . . . . . . . 220 K N . 52697 1 906 . 1 . 1 221 221 LYS C C 13 176.611 0 . . . . . . . 221 K CO . 52697 1 907 . 1 . 1 221 221 LYS CA C 13 56.444 0 . . . . . . . 221 K CA . 52697 1 908 . 1 . 1 221 221 LYS CB C 13 32.871 0 . . . . . . . 221 K CB . 52697 1 909 . 1 . 1 222 222 ILE H H 1 8.009 0 . . . . . . . 222 I HN . 52697 1 910 . 1 . 1 222 222 ILE C C 13 176.371 0.014 . . . . . . . 222 I CO . 52697 1 911 . 1 . 1 222 222 ILE CA C 13 61.053 0.019 . . . . . . . 222 I CA . 52697 1 912 . 1 . 1 222 222 ILE CB C 13 38.538 0.016 . . . . . . . 222 I CB . 52697 1 913 . 1 . 1 222 222 ILE N N 15 123.42 0 . . . . . . . 222 I N . 52697 1 914 . 1 . 1 223 223 GLU H H 1 8.326 0 . . . . . . . 223 E HN . 52697 1 915 . 1 . 1 223 223 GLU C C 13 176.653 0.001 . . . . . . . 223 E CO . 52697 1 916 . 1 . 1 223 223 GLU CA C 13 56.298 0.004 . . . . . . . 223 E CA . 52697 1 917 . 1 . 1 223 223 GLU CB C 13 30.398 0.002 . . . . . . . 223 E CB . 52697 1 918 . 1 . 1 223 223 GLU N N 15 125.917 0 . . . . . . . 223 E N . 52697 1 919 . 1 . 1 224 224 THR H H 1 8.029 0 . . . . . . . 224 T HN . 52697 1 920 . 1 . 1 224 224 THR C C 13 174.621 0.006 . . . . . . . 224 T CO . 52697 1 921 . 1 . 1 224 224 THR CA C 13 62.196 0.095 . . . . . . . 224 T CA . 52697 1 922 . 1 . 1 224 224 THR CB C 13 69.697 0.001 . . . . . . . 224 T CB . 52697 1 923 . 1 . 1 224 224 THR N N 15 115.851 0 . . . . . . . 224 T N . 52697 1 924 . 1 . 1 225 225 HIS C C 13 175.271 0.076 . . . . . . . 225 H CO . 52697 1 925 . 1 . 1 225 225 HIS CA C 13 56.388 0.08 . . . . . . . 225 H CA . 52697 1 926 . 1 . 1 225 225 HIS CB C 13 30.656 0.029 . . . . . . . 225 H CB . 52697 1 927 . 1 . 1 225 225 HIS N N 15 121.755 0 . . . . . . . 225 H N . 52697 1 928 . 1 . 1 226 226 LYS H H 1 8 0 . . . . . . . 226 K HN . 52697 1 929 . 1 . 1 226 226 LYS C C 13 176.608 0.011 . . . . . . . 226 K CO . 52697 1 930 . 1 . 1 226 226 LYS CA C 13 56.463 0 . . . . . . . 226 K CA . 52697 1 931 . 1 . 1 226 226 LYS CB C 13 32.965 0 . . . . . . . 226 K CB . 52697 1 932 . 1 . 1 226 226 LYS N N 15 122.519 0 . . . . . . . 226 K N . 52697 1 933 . 1 . 1 227 227 LEU H H 1 8.083 0 . . . . . . . 227 L HN . 52697 1 934 . 1 . 1 227 227 LEU C C 13 177.613 0 . . . . . . . 227 L CO . 52697 1 935 . 1 . 1 227 227 LEU CA C 13 55.333 0.005 . . . . . . . 227 L CA . 52697 1 936 . 1 . 1 227 227 LEU CB C 13 42.277 0.028 . . . . . . . 227 L CB . 52697 1 937 . 1 . 1 227 227 LEU N N 15 123.278 0 . . . . . . . 227 L N . 52697 1 938 . 1 . 1 228 228 THR H H 1 7.834 0 . . . . . . . 228 T HN . 52697 1 939 . 1 . 1 228 228 THR C C 13 174.262 0.005 . . . . . . . 228 T CO . 52697 1 940 . 1 . 1 228 228 THR CA C 13 61.815 0.007 . . . . . . . 228 T CA . 52697 1 941 . 1 . 1 228 228 THR CB C 13 70.02 0.033 . . . . . . . 228 T CB . 52697 1 942 . 1 . 1 228 228 THR N N 15 114.699 0 . . . . . . . 228 T N . 52697 1 943 . 1 . 1 229 229 PHE H H 1 8.057 0 . . . . . . . 229 F HN . 52697 1 944 . 1 . 1 229 229 PHE C C 13 175.713 0.009 . . . . . . . 229 F CO . 52697 1 945 . 1 . 1 229 229 PHE CA C 13 58.23 0.005 . . . . . . . 229 F CA . 52697 1 946 . 1 . 1 229 229 PHE CB C 13 39.577 0.018 . . . . . . . 229 F CB . 52697 1 947 . 1 . 1 229 229 PHE N N 15 122.718 0 . . . . . . . 229 F N . 52697 1 948 . 1 . 1 230 230 ARG H H 1 7.931 0 . . . . . . . 230 R HN . 52697 1 949 . 1 . 1 230 230 ARG C C 13 176.118 0.003 . . . . . . . 230 R CO . 52697 1 950 . 1 . 1 230 230 ARG CA C 13 56.072 0.025 . . . . . . . 230 R CA . 52697 1 951 . 1 . 1 230 230 ARG CB C 13 31.001 0.051 . . . . . . . 230 R CB . 52697 1 952 . 1 . 1 230 230 ARG N N 15 123.089 0 . . . . . . . 230 R N . 52697 1 953 . 1 . 1 231 231 GLU H H 1 8.134 0 . . . . . . . 231 E HN . 52697 1 954 . 1 . 1 231 231 GLU C C 13 176.574 0.006 . . . . . . . 231 E CO . 52697 1 955 . 1 . 1 231 231 GLU CA C 13 56.934 0.012 . . . . . . . 231 E CA . 52697 1 956 . 1 . 1 231 231 GLU CB C 13 30.198 0.019 . . . . . . . 231 E CB . 52697 1 957 . 1 . 1 231 231 GLU N N 15 122.018 0 . . . . . . . 231 E N . 52697 1 958 . 1 . 1 232 232 ASN H H 1 8.246 0 . . . . . . . 232 N HN . 52697 1 959 . 1 . 1 232 232 ASN C C 13 175.253 0.003 . . . . . . . 232 N CO . 52697 1 960 . 1 . 1 232 232 ASN CA C 13 53.361 0.03 . . . . . . . 232 N CA . 52697 1 961 . 1 . 1 232 232 ASN CB C 13 38.779 0.01 . . . . . . . 232 N CB . 52697 1 962 . 1 . 1 232 232 ASN N N 15 119.61 0 . . . . . . . 232 N N . 52697 1 963 . 1 . 1 233 233 ALA H H 1 7.987 0 . . . . . . . 233 A HN . 52697 1 964 . 1 . 1 233 233 ALA C C 13 177.994 0.015 . . . . . . . 233 A CO . 52697 1 965 . 1 . 1 233 233 ALA CA C 13 52.9 0.004 . . . . . . . 233 A CA . 52697 1 966 . 1 . 1 233 233 ALA CB C 13 19.145 0.016 . . . . . . . 233 A CB . 52697 1 967 . 1 . 1 233 233 ALA N N 15 124.187 0 . . . . . . . 233 A N . 52697 1 968 . 1 . 1 234 234 LYS C C 13 176.605 0.014 . . . . . . . 234 K CO . 52697 1 969 . 1 . 1 234 234 LYS CA C 13 56.252 0.051 . . . . . . . 234 K CA . 52697 1 970 . 1 . 1 234 234 LYS CB C 13 32.966 0.021 . . . . . . . 234 K CB . 52697 1 971 . 1 . 1 234 234 LYS N N 15 120.223 0 . . . . . . . 234 K N . 52697 1 972 . 1 . 1 235 235 ALA H H 1 7.982 0 . . . . . . . 235 A HN . 52697 1 973 . 1 . 1 235 235 ALA C C 13 177.948 0.01 . . . . . . . 235 A CO . 52697 1 974 . 1 . 1 235 235 ALA CA C 13 52.562 0.014 . . . . . . . 235 A CA . 52697 1 975 . 1 . 1 235 235 ALA CB C 13 19.218 0.01 . . . . . . . 235 A CB . 52697 1 976 . 1 . 1 235 235 ALA N N 15 125.031 0 . . . . . . . 235 A N . 52697 1 977 . 1 . 1 236 236 LYS H H 1 8.108 0 . . . . . . . 236 K HN . 52697 1 978 . 1 . 1 236 236 LYS C C 13 177.041 0.002 . . . . . . . 236 K CO . 52697 1 979 . 1 . 1 236 236 LYS CA C 13 56.514 0.005 . . . . . . . 236 K CA . 52697 1 980 . 1 . 1 236 236 LYS CB C 13 33.002 0.01 . . . . . . . 236 K CB . 52697 1 981 . 1 . 1 236 236 LYS N N 15 120.935 0 . . . . . . . 236 K N . 52697 1 982 . 1 . 1 237 237 THR H H 1 7.928 0 . . . . . . . 237 T HN . 52697 1 983 . 1 . 1 237 237 THR C C 13 174.246 0 . . . . . . . 237 T CO . 52697 1 984 . 1 . 1 237 237 THR CA C 13 61.761 0 . . . . . . . 237 T CA . 52697 1 985 . 1 . 1 237 237 THR CB C 13 69.903 0 . . . . . . . 237 T CB . 52697 1 986 . 1 . 1 237 237 THR N N 15 114.925 0 . . . . . . . 237 T N . 52697 1 987 . 1 . 1 239 239 HIS C C 13 175.959 0 . . . . . . . 239 H CO . 52697 1 988 . 1 . 1 239 239 HIS CA C 13 56.374 0 . . . . . . . 239 H CA . 52697 1 989 . 1 . 1 239 239 HIS CB C 13 30.058 0 . . . . . . . 239 H CB . 52697 1 990 . 1 . 1 240 240 GLY H H 1 8.199 0 . . . . . . . 240 G HN . 52697 1 991 . 1 . 1 240 240 GLY C C 13 173.791 0.002 . . . . . . . 240 G CO . 52697 1 992 . 1 . 1 240 240 GLY CA C 13 45.362 0.003 . . . . . . . 240 G CA . 52697 1 993 . 1 . 1 240 240 GLY N N 15 110.055 0 . . . . . . . 240 G N . 52697 1 994 . 1 . 1 241 241 ALA H H 1 7.904 0 . . . . . . . 241 A HN . 52697 1 995 . 1 . 1 241 241 ALA C C 13 177.056 0.011 . . . . . . . 241 A CO . 52697 1 996 . 1 . 1 241 241 ALA CA C 13 52.357 0.002 . . . . . . . 241 A CA . 52697 1 997 . 1 . 1 241 241 ALA CB C 13 19.534 0.007 . . . . . . . 241 A CB . 52697 1 998 . 1 . 1 241 241 ALA N N 15 124.033 0 . . . . . . . 241 A N . 52697 1 999 . 1 . 1 242 242 GLU H H 1 7.778 0 . . . . . . . 242 E HN . 52697 1 1000 . 1 . 1 242 242 GLU C C 13 173.461 0 . . . . . . . 242 E CO . 52697 1 1001 . 1 . 1 242 242 GLU CA C 13 58.17 0 . . . . . . . 242 E CA . 52697 1 1002 . 1 . 1 242 242 GLU CB C 13 31.038 0 . . . . . . . 242 E CB . 52697 1 1003 . 1 . 1 242 242 GLU N N 15 125.236 0 . . . . . . . 242 E N . 52697 1 stop_ save_