data_53331 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53331 _Entry.Title ; LCC-ICCG-S165A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-08-28 _Entry.Accession_date 2025-08-28 _Entry.Last_release_date 2025-08-28 _Entry.Original_release_date 2025-08-28 _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 'LCC-ICCG-S165A at 50C' _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 Cyril Charlier . . . . 53331 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53331 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 652 53331 '15N chemical shifts' 203 53331 '1H chemical shifts' 203 53331 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 . . 2026-04-21 . original BMRB . 53331 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53331 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41188311 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Towards site-specific information on PET degrading enzymes using NMR near operational temperature ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 38602 _Citation.Page_last 38602 _Citation.Year 2025 _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 Valeria Gabrielli . . . . 53331 1 2 Jelena Grga . . . . 53331 1 3 Sabine Gavalda . . . . 53331 1 4 Laura Perrot . . . . 53331 1 5 Francois-Xavier Cantrelle . . . . 53331 1 6 Emmanuelle Boll . . . . 53331 1 7 Guy Lippens . . . . 53331 1 8 Cyril Charlier . . . . 53331 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53331 _Assembly.ID 1 _Assembly.Name LCC-ICCG-S165A _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 LCC-ICCG-S165A 1 $entity_1 . . yes native no no . . . 53331 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6THT . . X-ray 1.14 . . 53331 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Polyethylene terephthalate (PET) degrading enzymes' 53331 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53331 _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 ; SNPYQRGPNPTRSALTADGP FSVATYTVSRLSVSGFGGGV IYYPTGTSLTFGGIAMSPGY TADASSLAWLGRRLASHGFV VLVINTNSRFDGPDSRASQL SAALNYLRTSSPSAVRARLD ANRLAVAGHAMGGGGTLRIA EQNPSLKAAVPLTPWHTDKT FNTSVPVLIVGAEADTVAPV SQHAIPFYQNLPSTTPKVYV ELCNASHIAPNSNNAAISVY TISWMKLWVDNDTRYRQFLC NVNDPALCDFRTNNRHCQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 258 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Polyethylene terephthalate (PET) degrading enzyme' 53331 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 36 SER . 53331 1 2 37 ASN . 53331 1 3 38 PRO . 53331 1 4 39 TYR . 53331 1 5 40 GLN . 53331 1 6 41 ARG . 53331 1 7 42 GLY . 53331 1 8 43 PRO . 53331 1 9 44 ASN . 53331 1 10 45 PRO . 53331 1 11 46 THR . 53331 1 12 47 ARG . 53331 1 13 48 SER . 53331 1 14 49 ALA . 53331 1 15 50 LEU . 53331 1 16 51 THR . 53331 1 17 52 ALA . 53331 1 18 53 ASP . 53331 1 19 54 GLY . 53331 1 20 55 PRO . 53331 1 21 56 PHE . 53331 1 22 57 SER . 53331 1 23 58 VAL . 53331 1 24 59 ALA . 53331 1 25 60 THR . 53331 1 26 61 TYR . 53331 1 27 62 THR . 53331 1 28 63 VAL . 53331 1 29 64 SER . 53331 1 30 65 ARG . 53331 1 31 66 LEU . 53331 1 32 67 SER . 53331 1 33 68 VAL . 53331 1 34 69 SER . 53331 1 35 70 GLY . 53331 1 36 71 PHE . 53331 1 37 72 GLY . 53331 1 38 73 GLY . 53331 1 39 74 GLY . 53331 1 40 75 VAL . 53331 1 41 76 ILE . 53331 1 42 77 TYR . 53331 1 43 78 TYR . 53331 1 44 79 PRO . 53331 1 45 80 THR . 53331 1 46 81 GLY . 53331 1 47 82 THR . 53331 1 48 83 SER . 53331 1 49 84 LEU . 53331 1 50 85 THR . 53331 1 51 86 PHE . 53331 1 52 87 GLY . 53331 1 53 88 GLY . 53331 1 54 89 ILE . 53331 1 55 90 ALA . 53331 1 56 91 MET . 53331 1 57 92 SER . 53331 1 58 93 PRO . 53331 1 59 94 GLY . 53331 1 60 95 TYR . 53331 1 61 96 THR . 53331 1 62 97 ALA . 53331 1 63 98 ASP . 53331 1 64 99 ALA . 53331 1 65 100 SER . 53331 1 66 101 SER . 53331 1 67 102 LEU . 53331 1 68 103 ALA . 53331 1 69 104 TRP . 53331 1 70 105 LEU . 53331 1 71 106 GLY . 53331 1 72 107 ARG . 53331 1 73 108 ARG . 53331 1 74 109 LEU . 53331 1 75 110 ALA . 53331 1 76 111 SER . 53331 1 77 112 HIS . 53331 1 78 113 GLY . 53331 1 79 114 PHE . 53331 1 80 115 VAL . 53331 1 81 116 VAL . 53331 1 82 117 LEU . 53331 1 83 118 VAL . 53331 1 84 119 ILE . 53331 1 85 120 ASN . 53331 1 86 121 THR . 53331 1 87 122 ASN . 53331 1 88 123 SER . 53331 1 89 124 ARG . 53331 1 90 125 PHE . 53331 1 91 126 ASP . 53331 1 92 127 GLY . 53331 1 93 128 PRO . 53331 1 94 129 ASP . 53331 1 95 130 SER . 53331 1 96 131 ARG . 53331 1 97 132 ALA . 53331 1 98 133 SER . 53331 1 99 134 GLN . 53331 1 100 135 LEU . 53331 1 101 136 SER . 53331 1 102 137 ALA . 53331 1 103 138 ALA . 53331 1 104 139 LEU . 53331 1 105 140 ASN . 53331 1 106 141 TYR . 53331 1 107 142 LEU . 53331 1 108 143 ARG . 53331 1 109 144 THR . 53331 1 110 145 SER . 53331 1 111 146 SER . 53331 1 112 147 PRO . 53331 1 113 148 SER . 53331 1 114 149 ALA . 53331 1 115 150 VAL . 53331 1 116 151 ARG . 53331 1 117 152 ALA . 53331 1 118 153 ARG . 53331 1 119 154 LEU . 53331 1 120 155 ASP . 53331 1 121 156 ALA . 53331 1 122 157 ASN . 53331 1 123 158 ARG . 53331 1 124 159 LEU . 53331 1 125 160 ALA . 53331 1 126 161 VAL . 53331 1 127 162 ALA . 53331 1 128 163 GLY . 53331 1 129 164 HIS . 53331 1 130 165 ALA . 53331 1 131 166 MET . 53331 1 132 167 GLY . 53331 1 133 168 GLY . 53331 1 134 169 GLY . 53331 1 135 170 GLY . 53331 1 136 171 THR . 53331 1 137 172 LEU . 53331 1 138 173 ARG . 53331 1 139 174 ILE . 53331 1 140 175 ALA . 53331 1 141 176 GLU . 53331 1 142 177 GLN . 53331 1 143 178 ASN . 53331 1 144 179 PRO . 53331 1 145 180 SER . 53331 1 146 181 LEU . 53331 1 147 182 LYS . 53331 1 148 183 ALA . 53331 1 149 184 ALA . 53331 1 150 185 VAL . 53331 1 151 186 PRO . 53331 1 152 187 LEU . 53331 1 153 188 THR . 53331 1 154 189 PRO . 53331 1 155 190 TRP . 53331 1 156 191 HIS . 53331 1 157 192 THR . 53331 1 158 193 ASP . 53331 1 159 194 LYS . 53331 1 160 195 THR . 53331 1 161 196 PHE . 53331 1 162 197 ASN . 53331 1 163 198 THR . 53331 1 164 199 SER . 53331 1 165 200 VAL . 53331 1 166 201 PRO . 53331 1 167 202 VAL . 53331 1 168 203 LEU . 53331 1 169 204 ILE . 53331 1 170 205 VAL . 53331 1 171 206 GLY . 53331 1 172 207 ALA . 53331 1 173 208 GLU . 53331 1 174 209 ALA . 53331 1 175 210 ASP . 53331 1 176 211 THR . 53331 1 177 212 VAL . 53331 1 178 213 ALA . 53331 1 179 214 PRO . 53331 1 180 215 VAL . 53331 1 181 216 SER . 53331 1 182 217 GLN . 53331 1 183 218 HIS . 53331 1 184 219 ALA . 53331 1 185 220 ILE . 53331 1 186 221 PRO . 53331 1 187 222 PHE . 53331 1 188 223 TYR . 53331 1 189 224 GLN . 53331 1 190 225 ASN . 53331 1 191 226 LEU . 53331 1 192 227 PRO . 53331 1 193 228 SER . 53331 1 194 229 THR . 53331 1 195 230 THR . 53331 1 196 231 PRO . 53331 1 197 232 LYS . 53331 1 198 233 VAL . 53331 1 199 234 TYR . 53331 1 200 235 VAL . 53331 1 201 236 GLU . 53331 1 202 237 LEU . 53331 1 203 238 CYS . 53331 1 204 239 ASN . 53331 1 205 240 ALA . 53331 1 206 241 SER . 53331 1 207 242 HIS . 53331 1 208 243 ILE . 53331 1 209 244 ALA . 53331 1 210 245 PRO . 53331 1 211 246 ASN . 53331 1 212 247 SER . 53331 1 213 248 ASN . 53331 1 214 249 ASN . 53331 1 215 250 ALA . 53331 1 216 251 ALA . 53331 1 217 252 ILE . 53331 1 218 253 SER . 53331 1 219 254 VAL . 53331 1 220 255 TYR . 53331 1 221 256 THR . 53331 1 222 257 ILE . 53331 1 223 258 SER . 53331 1 224 259 TRP . 53331 1 225 260 MET . 53331 1 226 261 LYS . 53331 1 227 262 LEU . 53331 1 228 263 TRP . 53331 1 229 264 VAL . 53331 1 230 265 ASP . 53331 1 231 266 ASN . 53331 1 232 267 ASP . 53331 1 233 268 THR . 53331 1 234 269 ARG . 53331 1 235 270 TYR . 53331 1 236 271 ARG . 53331 1 237 272 GLN . 53331 1 238 273 PHE . 53331 1 239 274 LEU . 53331 1 240 275 CYS . 53331 1 241 276 ASN . 53331 1 242 277 VAL . 53331 1 243 278 ASN . 53331 1 244 279 ASP . 53331 1 245 280 PRO . 53331 1 246 281 ALA . 53331 1 247 282 LEU . 53331 1 248 283 CYS . 53331 1 249 284 ASP . 53331 1 250 285 PHE . 53331 1 251 286 ARG . 53331 1 252 287 THR . 53331 1 253 288 ASN . 53331 1 254 289 ASN . 53331 1 255 290 ARG . 53331 1 256 291 HIS . 53331 1 257 292 CYS . 53331 1 258 293 GLN . 53331 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 . SER 1 1 53331 1 . ASN 2 2 53331 1 . PRO 3 3 53331 1 . TYR 4 4 53331 1 . GLN 5 5 53331 1 . ARG 6 6 53331 1 . GLY 7 7 53331 1 . PRO 8 8 53331 1 . ASN 9 9 53331 1 . PRO 10 10 53331 1 . THR 11 11 53331 1 . ARG 12 12 53331 1 . SER 13 13 53331 1 . ALA 14 14 53331 1 . LEU 15 15 53331 1 . THR 16 16 53331 1 . ALA 17 17 53331 1 . ASP 18 18 53331 1 . GLY 19 19 53331 1 . PRO 20 20 53331 1 . PHE 21 21 53331 1 . SER 22 22 53331 1 . VAL 23 23 53331 1 . ALA 24 24 53331 1 . THR 25 25 53331 1 . TYR 26 26 53331 1 . THR 27 27 53331 1 . VAL 28 28 53331 1 . SER 29 29 53331 1 . ARG 30 30 53331 1 . LEU 31 31 53331 1 . SER 32 32 53331 1 . VAL 33 33 53331 1 . SER 34 34 53331 1 . GLY 35 35 53331 1 . PHE 36 36 53331 1 . GLY 37 37 53331 1 . GLY 38 38 53331 1 . GLY 39 39 53331 1 . VAL 40 40 53331 1 . ILE 41 41 53331 1 . TYR 42 42 53331 1 . TYR 43 43 53331 1 . PRO 44 44 53331 1 . THR 45 45 53331 1 . GLY 46 46 53331 1 . THR 47 47 53331 1 . SER 48 48 53331 1 . LEU 49 49 53331 1 . THR 50 50 53331 1 . PHE 51 51 53331 1 . GLY 52 52 53331 1 . GLY 53 53 53331 1 . ILE 54 54 53331 1 . ALA 55 55 53331 1 . MET 56 56 53331 1 . SER 57 57 53331 1 . PRO 58 58 53331 1 . GLY 59 59 53331 1 . TYR 60 60 53331 1 . THR 61 61 53331 1 . ALA 62 62 53331 1 . ASP 63 63 53331 1 . ALA 64 64 53331 1 . SER 65 65 53331 1 . SER 66 66 53331 1 . LEU 67 67 53331 1 . ALA 68 68 53331 1 . TRP 69 69 53331 1 . LEU 70 70 53331 1 . GLY 71 71 53331 1 . ARG 72 72 53331 1 . ARG 73 73 53331 1 . LEU 74 74 53331 1 . ALA 75 75 53331 1 . SER 76 76 53331 1 . HIS 77 77 53331 1 . GLY 78 78 53331 1 . PHE 79 79 53331 1 . VAL 80 80 53331 1 . VAL 81 81 53331 1 . LEU 82 82 53331 1 . VAL 83 83 53331 1 . ILE 84 84 53331 1 . ASN 85 85 53331 1 . THR 86 86 53331 1 . ASN 87 87 53331 1 . SER 88 88 53331 1 . ARG 89 89 53331 1 . PHE 90 90 53331 1 . ASP 91 91 53331 1 . GLY 92 92 53331 1 . PRO 93 93 53331 1 . ASP 94 94 53331 1 . SER 95 95 53331 1 . ARG 96 96 53331 1 . ALA 97 97 53331 1 . SER 98 98 53331 1 . GLN 99 99 53331 1 . LEU 100 100 53331 1 . SER 101 101 53331 1 . ALA 102 102 53331 1 . ALA 103 103 53331 1 . LEU 104 104 53331 1 . ASN 105 105 53331 1 . TYR 106 106 53331 1 . LEU 107 107 53331 1 . ARG 108 108 53331 1 . THR 109 109 53331 1 . SER 110 110 53331 1 . SER 111 111 53331 1 . PRO 112 112 53331 1 . SER 113 113 53331 1 . ALA 114 114 53331 1 . VAL 115 115 53331 1 . ARG 116 116 53331 1 . ALA 117 117 53331 1 . ARG 118 118 53331 1 . LEU 119 119 53331 1 . ASP 120 120 53331 1 . ALA 121 121 53331 1 . ASN 122 122 53331 1 . ARG 123 123 53331 1 . LEU 124 124 53331 1 . ALA 125 125 53331 1 . VAL 126 126 53331 1 . ALA 127 127 53331 1 . GLY 128 128 53331 1 . HIS 129 129 53331 1 . ALA 130 130 53331 1 . MET 131 131 53331 1 . GLY 132 132 53331 1 . GLY 133 133 53331 1 . GLY 134 134 53331 1 . GLY 135 135 53331 1 . THR 136 136 53331 1 . LEU 137 137 53331 1 . ARG 138 138 53331 1 . ILE 139 139 53331 1 . ALA 140 140 53331 1 . GLU 141 141 53331 1 . GLN 142 142 53331 1 . ASN 143 143 53331 1 . PRO 144 144 53331 1 . SER 145 145 53331 1 . LEU 146 146 53331 1 . LYS 147 147 53331 1 . ALA 148 148 53331 1 . ALA 149 149 53331 1 . VAL 150 150 53331 1 . PRO 151 151 53331 1 . LEU 152 152 53331 1 . THR 153 153 53331 1 . PRO 154 154 53331 1 . TRP 155 155 53331 1 . HIS 156 156 53331 1 . THR 157 157 53331 1 . ASP 158 158 53331 1 . LYS 159 159 53331 1 . THR 160 160 53331 1 . PHE 161 161 53331 1 . ASN 162 162 53331 1 . THR 163 163 53331 1 . SER 164 164 53331 1 . VAL 165 165 53331 1 . PRO 166 166 53331 1 . VAL 167 167 53331 1 . LEU 168 168 53331 1 . ILE 169 169 53331 1 . VAL 170 170 53331 1 . GLY 171 171 53331 1 . ALA 172 172 53331 1 . GLU 173 173 53331 1 . ALA 174 174 53331 1 . ASP 175 175 53331 1 . THR 176 176 53331 1 . VAL 177 177 53331 1 . ALA 178 178 53331 1 . PRO 179 179 53331 1 . VAL 180 180 53331 1 . SER 181 181 53331 1 . GLN 182 182 53331 1 . HIS 183 183 53331 1 . ALA 184 184 53331 1 . ILE 185 185 53331 1 . PRO 186 186 53331 1 . PHE 187 187 53331 1 . TYR 188 188 53331 1 . GLN 189 189 53331 1 . ASN 190 190 53331 1 . LEU 191 191 53331 1 . PRO 192 192 53331 1 . SER 193 193 53331 1 . THR 194 194 53331 1 . THR 195 195 53331 1 . PRO 196 196 53331 1 . LYS 197 197 53331 1 . VAL 198 198 53331 1 . TYR 199 199 53331 1 . VAL 200 200 53331 1 . GLU 201 201 53331 1 . LEU 202 202 53331 1 . CYS 203 203 53331 1 . ASN 204 204 53331 1 . ALA 205 205 53331 1 . SER 206 206 53331 1 . HIS 207 207 53331 1 . ILE 208 208 53331 1 . ALA 209 209 53331 1 . PRO 210 210 53331 1 . ASN 211 211 53331 1 . SER 212 212 53331 1 . ASN 213 213 53331 1 . ASN 214 214 53331 1 . ALA 215 215 53331 1 . ALA 216 216 53331 1 . ILE 217 217 53331 1 . SER 218 218 53331 1 . VAL 219 219 53331 1 . TYR 220 220 53331 1 . THR 221 221 53331 1 . ILE 222 222 53331 1 . SER 223 223 53331 1 . TRP 224 224 53331 1 . MET 225 225 53331 1 . LYS 226 226 53331 1 . LEU 227 227 53331 1 . TRP 228 228 53331 1 . VAL 229 229 53331 1 . ASP 230 230 53331 1 . ASN 231 231 53331 1 . ASP 232 232 53331 1 . THR 233 233 53331 1 . ARG 234 234 53331 1 . TYR 235 235 53331 1 . ARG 236 236 53331 1 . GLN 237 237 53331 1 . PHE 238 238 53331 1 . LEU 239 239 53331 1 . CYS 240 240 53331 1 . ASN 241 241 53331 1 . VAL 242 242 53331 1 . ASN 243 243 53331 1 . ASP 244 244 53331 1 . PRO 245 245 53331 1 . ALA 246 246 53331 1 . LEU 247 247 53331 1 . CYS 248 248 53331 1 . ASP 249 249 53331 1 . PHE 250 250 53331 1 . ARG 251 251 53331 1 . THR 252 252 53331 1 . ASN 253 253 53331 1 . ASN 254 254 53331 1 . ARG 255 255 53331 1 . HIS 256 256 53331 1 . CYS 257 257 53331 1 . GLN 258 258 53331 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 53331 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53331 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 53331 _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 . . . plasmid . . pET21b . . . 53331 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53331 _Sample.ID 1 _Sample.Name LCC-iCCG-S165A _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LCC-ICCG-S165A '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 53331 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 53331 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 53331 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 53331 _Sample_condition_list.ID 1 _Sample_condition_list.Name LCC-ICCG-S165A _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . M 53331 1 pH 7.5 . pH 53331 1 pressure 1 . atm 53331 1 temperature 323 . K 53331 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53331 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53331 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53331 _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 'chemical shift assignment' . 53331 2 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 53331 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53331 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53331 1 2 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53331 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 '3D HNCO' ser_HNCO . 'Time-domain (raw spectral data)' . . 53331 1 2 '3D HNCACB' ser_HNCACB . 'Time-domain (raw spectral data)' . . 53331 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 53331 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name LCC-ICCG-S165A _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 TSP 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 53331 1 H 1 TSP protons . . . . ppm 0 internal direct 1 . . . . . 53331 1 N 15 TSP nitrogen . . . . ppm 0 internal direct 1 . . . . . 53331 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 53331 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name LCC-ICCG-S165A _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 53331 1 2 '3D HNCACB' . . . 53331 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 . . 53331 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 3 3 PRO C C 13 177.582 0.01 . 1 . . . . . 38 PRO C . 53331 1 2 . 1 . 1 3 3 PRO CA C 13 64.034 0.01 . 1 . . . . . 38 PRO CA . 53331 1 3 . 1 . 1 3 3 PRO CB C 13 32.239 0.01 . 1 . . . . . 38 PRO CB . 53331 1 4 . 1 . 1 4 4 TYR H H 1 7.627 0.01 . 1 . . . . . 39 TYR H . 53331 1 5 . 1 . 1 4 4 TYR C C 13 175.642 0.01 . 1 . . . . . 39 TYR C . 53331 1 6 . 1 . 1 4 4 TYR CA C 13 55.335 0.01 . 1 . . . . . 39 TYR CA . 53331 1 7 . 1 . 1 4 4 TYR CB C 13 37.745 0.01 . 1 . . . . . 39 TYR CB . 53331 1 8 . 1 . 1 4 4 TYR N N 15 117.945 0.01 . 1 . . . . . 39 TYR N . 53331 1 9 . 1 . 1 5 5 GLN H H 1 6.922 0.01 . 1 . . . . . 40 GLN H . 53331 1 10 . 1 . 1 5 5 GLN C C 13 177.052 0.01 . 1 . . . . . 40 GLN C . 53331 1 11 . 1 . 1 5 5 GLN CA C 13 57.533 0.01 . 1 . . . . . 40 GLN CA . 53331 1 12 . 1 . 1 5 5 GLN CB C 13 30.447 0.01 . 1 . . . . . 40 GLN CB . 53331 1 13 . 1 . 1 5 5 GLN N N 15 118.239 0.01 . 1 . . . . . 40 GLN N . 53331 1 14 . 1 . 1 6 6 ARG H H 1 10.669 0.01 . 1 . . . . . 41 ARG H . 53331 1 15 . 1 . 1 6 6 ARG CA C 13 53.55 0.01 . 1 . . . . . 41 ARG CA . 53331 1 16 . 1 . 1 6 6 ARG CB C 13 33.17 0.01 . 1 . . . . . 41 ARG CB . 53331 1 17 . 1 . 1 6 6 ARG N N 15 128.981 0.01 . 1 . . . . . 41 ARG N . 53331 1 18 . 1 . 1 10 10 PRO C C 13 176.156 0.01 . 1 . . . . . 45 PRO C . 53331 1 19 . 1 . 1 10 10 PRO CA C 13 63.017 0.01 . 1 . . . . . 45 PRO CA . 53331 1 20 . 1 . 1 10 10 PRO CB C 13 33.082 0.01 . 1 . . . . . 45 PRO CB . 53331 1 21 . 1 . 1 11 11 THR H H 1 6.762 0.01 . 1 . . . . . 46 THR H . 53331 1 22 . 1 . 1 11 11 THR CA C 13 59.972 0.01 . 1 . . . . . 46 THR CA . 53331 1 23 . 1 . 1 11 11 THR CB C 13 72.223 0.01 . 1 . . . . . 46 THR CB . 53331 1 24 . 1 . 1 11 11 THR N N 15 107.681 0.01 . 1 . . . . . 46 THR N . 53331 1 25 . 1 . 1 13 13 SER C C 13 178.68 0.01 . 1 . . . . . 48 SER C . 53331 1 26 . 1 . 1 13 13 SER CA C 13 61.378 0.01 . 1 . . . . . 48 SER CA . 53331 1 27 . 1 . 1 14 14 ALA H H 1 7.654 0.01 . 1 . . . . . 49 ALA H . 53331 1 28 . 1 . 1 14 14 ALA C C 13 180.041 0.01 . 1 . . . . . 49 ALA C . 53331 1 29 . 1 . 1 14 14 ALA CA C 13 54.41 0.01 . 1 . . . . . 49 ALA CA . 53331 1 30 . 1 . 1 14 14 ALA CB C 13 18.716 0.01 . 1 . . . . . 49 ALA CB . 53331 1 31 . 1 . 1 14 14 ALA N N 15 124.663 0.01 . 1 . . . . . 49 ALA N . 53331 1 32 . 1 . 1 15 15 LEU H H 1 7.453 0.01 . 1 . . . . . 50 LEU H . 53331 1 33 . 1 . 1 15 15 LEU C C 13 176.168 0.01 . 1 . . . . . 50 LEU C . 53331 1 34 . 1 . 1 15 15 LEU CA C 13 55.443 0.01 . 1 . . . . . 50 LEU CA . 53331 1 35 . 1 . 1 15 15 LEU CB C 13 42.025 0.01 . 1 . . . . . 50 LEU CB . 53331 1 36 . 1 . 1 15 15 LEU N N 15 114.265 0.01 . 1 . . . . . 50 LEU N . 53331 1 37 . 1 . 1 16 16 THR H H 1 7.466 0.01 . 1 . . . . . 51 THR H . 53331 1 38 . 1 . 1 16 16 THR C C 13 171.882 0.01 . 1 . . . . . 51 THR C . 53331 1 39 . 1 . 1 16 16 THR CA C 13 61.486 0.01 . 1 . . . . . 51 THR CA . 53331 1 40 . 1 . 1 16 16 THR CB C 13 69.773 0.01 . 1 . . . . . 51 THR CB . 53331 1 41 . 1 . 1 16 16 THR N N 15 107.844 0.01 . 1 . . . . . 51 THR N . 53331 1 42 . 1 . 1 17 17 ALA H H 1 7.438 0.01 . 1 . . . . . 52 ALA H . 53331 1 43 . 1 . 1 17 17 ALA C C 13 175.728 0.01 . 1 . . . . . 52 ALA C . 53331 1 44 . 1 . 1 17 17 ALA CA C 13 50.015 0.01 . 1 . . . . . 52 ALA CA . 53331 1 45 . 1 . 1 17 17 ALA CB C 13 23.174 0.01 . 1 . . . . . 52 ALA CB . 53331 1 46 . 1 . 1 17 17 ALA N N 15 124.513 0.01 . 1 . . . . . 52 ALA N . 53331 1 47 . 1 . 1 18 18 ASP H H 1 8.607 0.01 . 1 . . . . . 53 ASP H . 53331 1 48 . 1 . 1 18 18 ASP C C 13 177.738 0.01 . 1 . . . . . 53 ASP C . 53331 1 49 . 1 . 1 18 18 ASP CA C 13 56.461 0.01 . 1 . . . . . 53 ASP CA . 53331 1 50 . 1 . 1 18 18 ASP CB C 13 39.758 0.01 . 1 . . . . . 53 ASP CB . 53331 1 51 . 1 . 1 18 18 ASP N N 15 120.492 0.01 . 1 . . . . . 53 ASP N . 53331 1 52 . 1 . 1 19 19 GLY H H 1 8.796 0.01 . 1 . . . . . 54 GLY H . 53331 1 53 . 1 . 1 19 19 GLY CA C 13 43.583 0.01 . 1 . . . . . 54 GLY CA . 53331 1 54 . 1 . 1 19 19 GLY N N 15 109.526 0.01 . 1 . . . . . 54 GLY N . 53331 1 55 . 1 . 1 20 20 PRO C C 13 175.357 0.01 . 1 . . . . . 55 PRO C . 53331 1 56 . 1 . 1 20 20 PRO CA C 13 63.664 0.01 . 1 . . . . . 55 PRO CA . 53331 1 57 . 1 . 1 20 20 PRO CB C 13 32.097 0.01 . 1 . . . . . 55 PRO CB . 53331 1 58 . 1 . 1 21 21 PHE H H 1 8.344 0.01 . 1 . . . . . 56 PHE H . 53331 1 59 . 1 . 1 21 21 PHE C C 13 176.448 0.01 . 1 . . . . . 56 PHE C . 53331 1 60 . 1 . 1 21 21 PHE CA C 13 58.396 0.01 . 1 . . . . . 56 PHE CA . 53331 1 61 . 1 . 1 21 21 PHE CB C 13 38.851 0.01 . 1 . . . . . 56 PHE CB . 53331 1 62 . 1 . 1 21 21 PHE N N 15 119.006 0.01 . 1 . . . . . 56 PHE N . 53331 1 63 . 1 . 1 22 22 SER H H 1 8.878 0.01 . 1 . . . . . 57 SER H . 53331 1 64 . 1 . 1 22 22 SER C C 13 173.617 0.01 . 1 . . . . . 57 SER C . 53331 1 65 . 1 . 1 22 22 SER CA C 13 59.272 0.01 . 1 . . . . . 57 SER CA . 53331 1 66 . 1 . 1 22 22 SER CB C 13 64.102 0.01 . 1 . . . . . 57 SER CB . 53331 1 67 . 1 . 1 22 22 SER N N 15 120.618 0.01 . 1 . . . . . 57 SER N . 53331 1 68 . 1 . 1 23 23 VAL H H 1 8.131 0.01 . 1 . . . . . 58 VAL H . 53331 1 69 . 1 . 1 23 23 VAL C C 13 175.653 0.01 . 1 . . . . . 58 VAL C . 53331 1 70 . 1 . 1 23 23 VAL CA C 13 61.719 0.01 . 1 . . . . . 58 VAL CA . 53331 1 71 . 1 . 1 23 23 VAL CB C 13 35.284 0.01 . 1 . . . . . 58 VAL CB . 53331 1 72 . 1 . 1 23 23 VAL N N 15 122.22 0.01 . 1 . . . . . 58 VAL N . 53331 1 73 . 1 . 1 24 24 ALA H H 1 8.858 0.01 . 1 . . . . . 59 ALA H . 53331 1 74 . 1 . 1 24 24 ALA C C 13 175.316 0.01 . 1 . . . . . 59 ALA C . 53331 1 75 . 1 . 1 24 24 ALA CA C 13 49.923 0.01 . 1 . . . . . 59 ALA CA . 53331 1 76 . 1 . 1 24 24 ALA CB C 13 21.29 0.01 . 1 . . . . . 59 ALA CB . 53331 1 77 . 1 . 1 24 24 ALA N N 15 131.693 0.01 . 1 . . . . . 59 ALA N . 53331 1 78 . 1 . 1 25 25 THR H H 1 7.81 0.01 . 1 . . . . . 60 THR H . 53331 1 79 . 1 . 1 25 25 THR C C 13 175.39 0.01 . 1 . . . . . 60 THR C . 53331 1 80 . 1 . 1 25 25 THR CA C 13 59.332 0.01 . 1 . . . . . 60 THR CA . 53331 1 81 . 1 . 1 25 25 THR CB C 13 72.399 0.01 . 1 . . . . . 60 THR CB . 53331 1 82 . 1 . 1 25 25 THR N N 15 107.213 0.01 . 1 . . . . . 60 THR N . 53331 1 83 . 1 . 1 26 26 TYR H H 1 9.148 0.01 . 1 . . . . . 61 TYR H . 53331 1 84 . 1 . 1 26 26 TYR CA C 13 57.991 0.01 . 1 . . . . . 61 TYR CA . 53331 1 85 . 1 . 1 26 26 TYR CB C 13 42.51 0.01 . 1 . . . . . 61 TYR CB . 53331 1 86 . 1 . 1 26 26 TYR N N 15 124.312 0.01 . 1 . . . . . 61 TYR N . 53331 1 87 . 1 . 1 27 27 THR C C 13 172.213 0.01 . 1 . . . . . 62 THR C . 53331 1 88 . 1 . 1 27 27 THR CA C 13 63.641 0.01 . 1 . . . . . 62 THR CA . 53331 1 89 . 1 . 1 27 27 THR CB C 13 69.002 0.01 . 1 . . . . . 62 THR CB . 53331 1 90 . 1 . 1 28 28 VAL H H 1 8.795 0.01 . 1 . . . . . 63 VAL H . 53331 1 91 . 1 . 1 28 28 VAL CA C 13 61.266 0.01 . 1 . . . . . 63 VAL CA . 53331 1 92 . 1 . 1 28 28 VAL CB C 13 32.216 0.01 . 1 . . . . . 63 VAL CB . 53331 1 93 . 1 . 1 28 28 VAL N N 15 128.543 0.01 . 1 . . . . . 63 VAL N . 53331 1 94 . 1 . 1 38 38 GLY C C 13 172.482 0.01 . 1 . . . . . 73 GLY C . 53331 1 95 . 1 . 1 38 38 GLY CA C 13 43.683 0.01 . 1 . . . . . 73 GLY CA . 53331 1 96 . 1 . 1 39 39 GLY H H 1 8.611 0.01 . 1 . . . . . 74 GLY H . 53331 1 97 . 1 . 1 39 39 GLY C C 13 171.751 0.01 . 1 . . . . . 74 GLY C . 53331 1 98 . 1 . 1 39 39 GLY CA C 13 46.08 0.01 . 1 . . . . . 74 GLY CA . 53331 1 99 . 1 . 1 39 39 GLY N N 15 108.19 0.01 . 1 . . . . . 74 GLY N . 53331 1 100 . 1 . 1 40 40 VAL H H 1 8.939 0.01 . 1 . . . . . 75 VAL H . 53331 1 101 . 1 . 1 40 40 VAL C C 13 174.04 0.01 . 1 . . . . . 75 VAL C . 53331 1 102 . 1 . 1 40 40 VAL CA C 13 61.933 0.01 . 1 . . . . . 75 VAL CA . 53331 1 103 . 1 . 1 40 40 VAL CB C 13 35.86 0.01 . 1 . . . . . 75 VAL CB . 53331 1 104 . 1 . 1 40 40 VAL N N 15 122.675 0.01 . 1 . . . . . 75 VAL N . 53331 1 105 . 1 . 1 41 41 ILE H H 1 9.294 0.01 . 1 . . . . . 76 ILE H . 53331 1 106 . 1 . 1 41 41 ILE C C 13 175.167 0.01 . 1 . . . . . 76 ILE C . 53331 1 107 . 1 . 1 41 41 ILE CA C 13 59.856 0.01 . 1 . . . . . 76 ILE CA . 53331 1 108 . 1 . 1 41 41 ILE CB C 13 40.331 0.01 . 1 . . . . . 76 ILE CB . 53331 1 109 . 1 . 1 41 41 ILE N N 15 125.36 0.01 . 1 . . . . . 76 ILE N . 53331 1 110 . 1 . 1 42 42 TYR H H 1 9.816 0.01 . 1 . . . . . 77 TYR H . 53331 1 111 . 1 . 1 42 42 TYR C C 13 175.214 0.01 . 1 . . . . . 77 TYR C . 53331 1 112 . 1 . 1 42 42 TYR CA C 13 56.283 0.01 . 1 . . . . . 77 TYR CA . 53331 1 113 . 1 . 1 42 42 TYR CB C 13 41.508 0.01 . 1 . . . . . 77 TYR CB . 53331 1 114 . 1 . 1 42 42 TYR N N 15 127.127 0.01 . 1 . . . . . 77 TYR N . 53331 1 115 . 1 . 1 43 43 TYR H H 1 9.334 0.01 . 1 . . . . . 78 TYR H . 53331 1 116 . 1 . 1 43 43 TYR CA C 13 53.827 0.01 . 1 . . . . . 78 TYR CA . 53331 1 117 . 1 . 1 43 43 TYR CB C 13 39.382 0.01 . 1 . . . . . 78 TYR CB . 53331 1 118 . 1 . 1 43 43 TYR N N 15 119.513 0.01 . 1 . . . . . 78 TYR N . 53331 1 119 . 1 . 1 44 44 PRO C C 13 175.488 0.01 . 1 . . . . . 79 PRO C . 53331 1 120 . 1 . 1 44 44 PRO CA C 13 61.796 0.01 . 1 . . . . . 79 PRO CA . 53331 1 121 . 1 . 1 44 44 PRO CB C 13 33.456 0.01 . 1 . . . . . 79 PRO CB . 53331 1 122 . 1 . 1 45 45 THR H H 1 8.117 0.01 . 1 . . . . . 80 THR H . 53331 1 123 . 1 . 1 45 45 THR CA C 13 59.096 0.01 . 1 . . . . . 80 THR CA . 53331 1 124 . 1 . 1 45 45 THR CB C 13 71.017 0.01 . 1 . . . . . 80 THR CB . 53331 1 125 . 1 . 1 45 45 THR N N 15 112.931 0.01 . 1 . . . . . 80 THR N . 53331 1 126 . 1 . 1 46 46 GLY C C 13 174.023 0.01 . 1 . . . . . 81 GLY C . 53331 1 127 . 1 . 1 46 46 GLY CA C 13 46.705 0.01 . 1 . . . . . 81 GLY CA . 53331 1 128 . 1 . 1 47 47 THR H H 1 7.382 0.01 . 1 . . . . . 82 THR H . 53331 1 129 . 1 . 1 47 47 THR CA C 13 59.325 0.01 . 1 . . . . . 82 THR CA . 53331 1 130 . 1 . 1 47 47 THR CB C 13 69.316 0.01 . 1 . . . . . 82 THR CB . 53331 1 131 . 1 . 1 47 47 THR N N 15 111.432 0.01 . 1 . . . . . 82 THR N . 53331 1 132 . 1 . 1 48 48 SER C C 13 175.488 0.01 . 1 . . . . . 83 SER C . 53331 1 133 . 1 . 1 48 48 SER CA C 13 58.022 0.01 . 1 . . . . . 83 SER CA . 53331 1 134 . 1 . 1 48 48 SER CB C 13 64.148 0.01 . 1 . . . . . 83 SER CB . 53331 1 135 . 1 . 1 49 49 LEU H H 1 7.966 0.01 . 1 . . . . . 84 LEU H . 53331 1 136 . 1 . 1 49 49 LEU C C 13 175.364 0.01 . 1 . . . . . 84 LEU C . 53331 1 137 . 1 . 1 49 49 LEU CA C 13 55.031 0.01 . 1 . . . . . 84 LEU CA . 53331 1 138 . 1 . 1 49 49 LEU CB C 13 43.269 0.01 . 1 . . . . . 84 LEU CB . 53331 1 139 . 1 . 1 49 49 LEU N N 15 124.133 0.01 . 1 . . . . . 84 LEU N . 53331 1 140 . 1 . 1 50 50 THR H H 1 6.959 0.01 . 1 . . . . . 85 THR H . 53331 1 141 . 1 . 1 50 50 THR C C 13 174.215 0.01 . 1 . . . . . 85 THR C . 53331 1 142 . 1 . 1 50 50 THR CA C 13 59.325 0.01 . 1 . . . . . 85 THR CA . 53331 1 143 . 1 . 1 50 50 THR CB C 13 72.488 0.01 . 1 . . . . . 85 THR CB . 53331 1 144 . 1 . 1 50 50 THR N N 15 106.769 0.01 . 1 . . . . . 85 THR N . 53331 1 145 . 1 . 1 51 51 PHE H H 1 8.856 0.01 . 1 . . . . . 86 PHE H . 53331 1 146 . 1 . 1 51 51 PHE C C 13 175.366 0.01 . 1 . . . . . 86 PHE C . 53331 1 147 . 1 . 1 51 51 PHE CA C 13 56.996 0.01 . 1 . . . . . 86 PHE CA . 53331 1 148 . 1 . 1 51 51 PHE CB C 13 43.444 0.01 . 1 . . . . . 86 PHE CB . 53331 1 149 . 1 . 1 51 51 PHE N N 15 118.81 0.01 . 1 . . . . . 86 PHE N . 53331 1 150 . 1 . 1 52 52 GLY H H 1 10.095 0.01 . 1 . . . . . 87 GLY H . 53331 1 151 . 1 . 1 52 52 GLY C C 13 172.601 0.01 . 1 . . . . . 87 GLY C . 53331 1 152 . 1 . 1 52 52 GLY CA C 13 44.991 0.01 . 1 . . . . . 87 GLY CA . 53331 1 153 . 1 . 1 52 52 GLY N N 15 108.998 0.01 . 1 . . . . . 87 GLY N . 53331 1 154 . 1 . 1 53 53 GLY H H 1 8.687 0.01 . 1 . . . . . 88 GLY H . 53331 1 155 . 1 . 1 53 53 GLY C C 13 172.257 0.01 . 1 . . . . . 88 GLY C . 53331 1 156 . 1 . 1 53 53 GLY CA C 13 43.932 0.01 . 1 . . . . . 88 GLY CA . 53331 1 157 . 1 . 1 53 53 GLY N N 15 104.828 0.01 . 1 . . . . . 88 GLY N . 53331 1 158 . 1 . 1 54 54 ILE H H 1 9.184 0.01 . 1 . . . . . 89 ILE H . 53331 1 159 . 1 . 1 54 54 ILE C C 13 175.265 0.01 . 1 . . . . . 89 ILE C . 53331 1 160 . 1 . 1 54 54 ILE CA C 13 58.967 0.01 . 1 . . . . . 89 ILE CA . 53331 1 161 . 1 . 1 54 54 ILE CB C 13 43.178 0.01 . 1 . . . . . 89 ILE CB . 53331 1 162 . 1 . 1 54 54 ILE N N 15 119.495 0.01 . 1 . . . . . 89 ILE N . 53331 1 163 . 1 . 1 55 55 ALA H H 1 8.092 0.01 . 1 . . . . . 90 ALA H . 53331 1 164 . 1 . 1 55 55 ALA C C 13 176.399 0.01 . 1 . . . . . 90 ALA C . 53331 1 165 . 1 . 1 55 55 ALA CA C 13 49.766 0.01 . 1 . . . . . 90 ALA CA . 53331 1 166 . 1 . 1 55 55 ALA CB C 13 21.664 0.01 . 1 . . . . . 90 ALA CB . 53331 1 167 . 1 . 1 55 55 ALA N N 15 126.872 0.01 . 1 . . . . . 90 ALA N . 53331 1 168 . 1 . 1 56 56 MET H H 1 9.127 0.01 . 1 . . . . . 91 MET H . 53331 1 169 . 1 . 1 56 56 MET C C 13 175.234 0.01 . 1 . . . . . 91 MET C . 53331 1 170 . 1 . 1 56 56 MET CA C 13 53.234 0.01 . 1 . . . . . 91 MET CA . 53331 1 171 . 1 . 1 56 56 MET CB C 13 38.635 0.01 . 1 . . . . . 91 MET CB . 53331 1 172 . 1 . 1 56 56 MET N N 15 117.743 0.01 . 1 . . . . . 91 MET N . 53331 1 173 . 1 . 1 57 57 SER H H 1 7.697 0.01 . 1 . . . . . 92 SER H . 53331 1 174 . 1 . 1 57 57 SER CA C 13 53.558 0.01 . 1 . . . . . 92 SER CA . 53331 1 175 . 1 . 1 57 57 SER CB C 13 66.427 0.01 . 1 . . . . . 92 SER CB . 53331 1 176 . 1 . 1 57 57 SER N N 15 113.375 0.01 . 1 . . . . . 92 SER N . 53331 1 177 . 1 . 1 58 58 PRO C C 13 176.99 0.01 . 1 . . . . . 93 PRO C . 53331 1 178 . 1 . 1 58 58 PRO CA C 13 63.212 0.01 . 1 . . . . . 93 PRO CA . 53331 1 179 . 1 . 1 58 58 PRO CB C 13 34.433 0.01 . 1 . . . . . 93 PRO CB . 53331 1 180 . 1 . 1 59 59 GLY H H 1 9.701 0.01 . 1 . . . . . 94 GLY H . 53331 1 181 . 1 . 1 59 59 GLY C C 13 172.094 0.01 . 1 . . . . . 94 GLY C . 53331 1 182 . 1 . 1 59 59 GLY CA C 13 44.638 0.01 . 1 . . . . . 94 GLY CA . 53331 1 183 . 1 . 1 59 59 GLY N N 15 110.926 0.01 . 1 . . . . . 94 GLY N . 53331 1 184 . 1 . 1 60 60 TYR H H 1 8.476 0.01 . 1 . . . . . 95 TYR H . 53331 1 185 . 1 . 1 60 60 TYR CA C 13 60.445 0.01 . 1 . . . . . 95 TYR CA . 53331 1 186 . 1 . 1 60 60 TYR CB C 13 39.581 0.01 . 1 . . . . . 95 TYR CB . 53331 1 187 . 1 . 1 60 60 TYR N N 15 118.986 0.01 . 1 . . . . . 95 TYR N . 53331 1 188 . 1 . 1 61 61 THR C C 13 171.931 0.01 . 1 . . . . . 96 THR C . 53331 1 189 . 1 . 1 61 61 THR CA C 13 65.637 0.01 . 1 . . . . . 96 THR CA . 53331 1 190 . 1 . 1 61 61 THR CB C 13 70.264 0.01 . 1 . . . . . 96 THR CB . 53331 1 191 . 1 . 1 62 62 ALA H H 1 8.053 0.01 . 1 . . . . . 97 ALA H . 53331 1 192 . 1 . 1 62 62 ALA C C 13 176.632 0.01 . 1 . . . . . 97 ALA C . 53331 1 193 . 1 . 1 62 62 ALA CA C 13 51.559 0.01 . 1 . . . . . 97 ALA CA . 53331 1 194 . 1 . 1 62 62 ALA CB C 13 22.464 0.01 . 1 . . . . . 97 ALA CB . 53331 1 195 . 1 . 1 62 62 ALA N N 15 124.741 0.01 . 1 . . . . . 97 ALA N . 53331 1 196 . 1 . 1 63 63 ASP H H 1 8.524 0.01 . 1 . . . . . 98 ASP H . 53331 1 197 . 1 . 1 63 63 ASP C C 13 177.551 0.01 . 1 . . . . . 98 ASP C . 53331 1 198 . 1 . 1 63 63 ASP CA C 13 52.503 0.01 . 1 . . . . . 98 ASP CA . 53331 1 199 . 1 . 1 63 63 ASP CB C 13 43.066 0.01 . 1 . . . . . 98 ASP CB . 53331 1 200 . 1 . 1 63 63 ASP N N 15 118.994 0.01 . 1 . . . . . 98 ASP N . 53331 1 201 . 1 . 1 64 64 ALA H H 1 9.216 0.01 . 1 . . . . . 99 ALA H . 53331 1 202 . 1 . 1 64 64 ALA C C 13 180.639 0.01 . 1 . . . . . 99 ALA C . 53331 1 203 . 1 . 1 64 64 ALA CA C 13 55.845 0.01 . 1 . . . . . 99 ALA CA . 53331 1 204 . 1 . 1 64 64 ALA CB C 13 18.1 0.01 . 1 . . . . . 99 ALA CB . 53331 1 205 . 1 . 1 64 64 ALA N N 15 123.268 0.01 . 1 . . . . . 99 ALA N . 53331 1 206 . 1 . 1 65 65 SER H H 1 8.771 0.01 . 1 . . . . . 100 SER H . 53331 1 207 . 1 . 1 65 65 SER C C 13 177.489 0.01 . 1 . . . . . 100 SER C . 53331 1 208 . 1 . 1 65 65 SER CA C 13 62.056 0.01 . 1 . . . . . 100 SER CA . 53331 1 209 . 1 . 1 65 65 SER CB C 13 63.967 0.01 . 1 . . . . . 100 SER CB . 53331 1 210 . 1 . 1 65 65 SER N N 15 116.188 0.01 . 1 . . . . . 100 SER N . 53331 1 211 . 1 . 1 66 66 SER H H 1 8.108 0.01 . 1 . . . . . 101 SER H . 53331 1 212 . 1 . 1 66 66 SER C C 13 174.646 0.01 . 1 . . . . . 101 SER C . 53331 1 213 . 1 . 1 66 66 SER CA C 13 61.448 0.01 . 1 . . . . . 101 SER CA . 53331 1 214 . 1 . 1 66 66 SER CB C 13 64.368 0.01 . 1 . . . . . 101 SER CB . 53331 1 215 . 1 . 1 66 66 SER N N 15 119.688 0.01 . 1 . . . . . 101 SER N . 53331 1 216 . 1 . 1 67 67 LEU H H 1 7.265 0.01 . 1 . . . . . 102 LEU H . 53331 1 217 . 1 . 1 67 67 LEU C C 13 176.513 0.01 . 1 . . . . . 102 LEU C . 53331 1 218 . 1 . 1 67 67 LEU CA C 13 53.084 0.01 . 1 . . . . . 102 LEU CA . 53331 1 219 . 1 . 1 67 67 LEU CB C 13 44.515 0.01 . 1 . . . . . 102 LEU CB . 53331 1 220 . 1 . 1 67 67 LEU N N 15 119.311 0.01 . 1 . . . . . 102 LEU N . 53331 1 221 . 1 . 1 68 68 ALA H H 1 7.548 0.01 . 1 . . . . . 103 ALA H . 53331 1 222 . 1 . 1 68 68 ALA C C 13 180.1 0.01 . 1 . . . . . 103 ALA C . 53331 1 223 . 1 . 1 68 68 ALA CA C 13 56.458 0.01 . 1 . . . . . 103 ALA CA . 53331 1 224 . 1 . 1 68 68 ALA CB C 13 19.281 0.01 . 1 . . . . . 103 ALA CB . 53331 1 225 . 1 . 1 68 68 ALA N N 15 126.205 0.01 . 1 . . . . . 103 ALA N . 53331 1 226 . 1 . 1 69 69 TRP H H 1 8.455 0.01 . 1 . . . . . 104 TRP H . 53331 1 227 . 1 . 1 69 69 TRP CA C 13 59.558 0.01 . 1 . . . . . 104 TRP CA . 53331 1 228 . 1 . 1 69 69 TRP N N 15 115.54 0.01 . 1 . . . . . 104 TRP N . 53331 1 229 . 1 . 1 70 70 LEU C C 13 177.933 0.01 . 1 . . . . . 105 LEU C . 53331 1 230 . 1 . 1 70 70 LEU CA C 13 55.352 0.01 . 1 . . . . . 105 LEU CA . 53331 1 231 . 1 . 1 70 70 LEU CB C 13 40.71 0.01 . 1 . . . . . 105 LEU CB . 53331 1 232 . 1 . 1 71 71 GLY H H 1 8.055 0.01 . 1 . . . . . 106 GLY H . 53331 1 233 . 1 . 1 71 71 GLY C C 13 173.849 0.01 . 1 . . . . . 106 GLY C . 53331 1 234 . 1 . 1 71 71 GLY CA C 13 47.709 0.01 . 1 . . . . . 106 GLY CA . 53331 1 235 . 1 . 1 71 71 GLY N N 15 108.359 0.01 . 1 . . . . . 106 GLY N . 53331 1 236 . 1 . 1 72 72 ARG H H 1 7.151 0.01 . 1 . . . . . 107 ARG H . 53331 1 237 . 1 . 1 72 72 ARG C C 13 177.746 0.01 . 1 . . . . . 107 ARG C . 53331 1 238 . 1 . 1 72 72 ARG CA C 13 59.915 0.01 . 1 . . . . . 107 ARG CA . 53331 1 239 . 1 . 1 72 72 ARG CB C 13 30.113 0.01 . 1 . . . . . 107 ARG CB . 53331 1 240 . 1 . 1 72 72 ARG N N 15 119.731 0.01 . 1 . . . . . 107 ARG N . 53331 1 241 . 1 . 1 73 73 ARG H H 1 7.846 0.01 . 1 . . . . . 108 ARG H . 53331 1 242 . 1 . 1 73 73 ARG CA C 13 57.441 0.01 . 1 . . . . . 108 ARG CA . 53331 1 243 . 1 . 1 73 73 ARG CB C 13 28.45 0.01 . 1 . . . . . 108 ARG CB . 53331 1 244 . 1 . 1 73 73 ARG N N 15 118.853 0.01 . 1 . . . . . 108 ARG N . 53331 1 245 . 1 . 1 74 74 LEU C C 13 178.551 0.01 . 1 . . . . . 109 LEU C . 53331 1 246 . 1 . 1 74 74 LEU CA C 13 58.646 0.01 . 1 . . . . . 109 LEU CA . 53331 1 247 . 1 . 1 74 74 LEU CB C 13 42.583 0.01 . 1 . . . . . 109 LEU CB . 53331 1 248 . 1 . 1 75 75 ALA H H 1 7.957 0.01 . 1 . . . . . 110 ALA H . 53331 1 249 . 1 . 1 75 75 ALA C C 13 181.954 0.01 . 1 . . . . . 110 ALA C . 53331 1 250 . 1 . 1 75 75 ALA CA C 13 55.573 0.01 . 1 . . . . . 110 ALA CA . 53331 1 251 . 1 . 1 75 75 ALA CB C 13 19.879 0.01 . 1 . . . . . 110 ALA CB . 53331 1 252 . 1 . 1 75 75 ALA N N 15 121.458 0.01 . 1 . . . . . 110 ALA N . 53331 1 253 . 1 . 1 76 76 SER H H 1 8.375 0.01 . 1 . . . . . 111 SER H . 53331 1 254 . 1 . 1 76 76 SER C C 13 174.879 0.01 . 1 . . . . . 111 SER C . 53331 1 255 . 1 . 1 76 76 SER CA C 13 60.793 0.01 . 1 . . . . . 111 SER CA . 53331 1 256 . 1 . 1 76 76 SER CB C 13 62.971 0.01 . 1 . . . . . 111 SER CB . 53331 1 257 . 1 . 1 76 76 SER N N 15 111.484 0.01 . 1 . . . . . 111 SER N . 53331 1 258 . 1 . 1 77 77 HIS H H 1 7.682 0.01 . 1 . . . . . 112 HIS H . 53331 1 259 . 1 . 1 77 77 HIS C C 13 174.47 0.01 . 1 . . . . . 112 HIS C . 53331 1 260 . 1 . 1 77 77 HIS CA C 13 58.88 0.01 . 1 . . . . . 112 HIS CA . 53331 1 261 . 1 . 1 77 77 HIS CB C 13 32.494 0.01 . 1 . . . . . 112 HIS CB . 53331 1 262 . 1 . 1 77 77 HIS N N 15 120.194 0.01 . 1 . . . . . 112 HIS N . 53331 1 263 . 1 . 1 78 78 GLY H H 1 8.181 0.01 . 1 . . . . . 113 GLY H . 53331 1 264 . 1 . 1 78 78 GLY C C 13 170.839 0.01 . 1 . . . . . 113 GLY C . 53331 1 265 . 1 . 1 78 78 GLY CA C 13 47.035 0.01 . 1 . . . . . 113 GLY CA . 53331 1 266 . 1 . 1 78 78 GLY N N 15 108.894 0.01 . 1 . . . . . 113 GLY N . 53331 1 267 . 1 . 1 79 79 PHE H H 1 7.205 0.01 . 1 . . . . . 114 PHE H . 53331 1 268 . 1 . 1 79 79 PHE C C 13 173.365 0.01 . 1 . . . . . 114 PHE C . 53331 1 269 . 1 . 1 79 79 PHE CA C 13 58.279 0.01 . 1 . . . . . 114 PHE CA . 53331 1 270 . 1 . 1 79 79 PHE CB C 13 44.271 0.01 . 1 . . . . . 114 PHE CB . 53331 1 271 . 1 . 1 79 79 PHE N N 15 118.319 0.01 . 1 . . . . . 114 PHE N . 53331 1 272 . 1 . 1 80 80 VAL H H 1 8.975 0.01 . 1 . . . . . 115 VAL H . 53331 1 273 . 1 . 1 80 80 VAL C C 13 175.315 0.01 . 1 . . . . . 115 VAL C . 53331 1 274 . 1 . 1 80 80 VAL CA C 13 63.159 0.01 . 1 . . . . . 115 VAL CA . 53331 1 275 . 1 . 1 80 80 VAL CB C 13 32.228 0.01 . 1 . . . . . 115 VAL CB . 53331 1 276 . 1 . 1 80 80 VAL N N 15 121.011 0.01 . 1 . . . . . 115 VAL N . 53331 1 277 . 1 . 1 81 81 VAL H H 1 9.533 0.01 . 1 . . . . . 116 VAL H . 53331 1 278 . 1 . 1 81 81 VAL C C 13 174.21 0.01 . 1 . . . . . 116 VAL C . 53331 1 279 . 1 . 1 81 81 VAL CA C 13 60.783 0.01 . 1 . . . . . 116 VAL CA . 53331 1 280 . 1 . 1 81 81 VAL CB C 13 35.339 0.01 . 1 . . . . . 116 VAL CB . 53331 1 281 . 1 . 1 81 81 VAL N N 15 127.296 0.01 . 1 . . . . . 116 VAL N . 53331 1 282 . 1 . 1 82 82 LEU H H 1 9.281 0.01 . 1 . . . . . 117 LEU H . 53331 1 283 . 1 . 1 82 82 LEU C C 13 174.422 0.01 . 1 . . . . . 117 LEU C . 53331 1 284 . 1 . 1 82 82 LEU CA C 13 53.229 0.01 . 1 . . . . . 117 LEU CA . 53331 1 285 . 1 . 1 82 82 LEU CB C 13 44.93 0.01 . 1 . . . . . 117 LEU CB . 53331 1 286 . 1 . 1 82 82 LEU N N 15 129.559 0.01 . 1 . . . . . 117 LEU N . 53331 1 287 . 1 . 1 83 83 VAL H H 1 9.352 0.01 . 1 . . . . . 118 VAL H . 53331 1 288 . 1 . 1 83 83 VAL C C 13 175.732 0.01 . 1 . . . . . 118 VAL C . 53331 1 289 . 1 . 1 83 83 VAL CA C 13 61.611 0.01 . 1 . . . . . 118 VAL CA . 53331 1 290 . 1 . 1 83 83 VAL CB C 13 31.835 0.01 . 1 . . . . . 118 VAL CB . 53331 1 291 . 1 . 1 83 83 VAL N N 15 128.759 0.01 . 1 . . . . . 118 VAL N . 53331 1 292 . 1 . 1 84 84 ILE H H 1 8.287 0.01 . 1 . . . . . 119 ILE H . 53331 1 293 . 1 . 1 84 84 ILE C C 13 175.795 0.01 . 1 . . . . . 119 ILE C . 53331 1 294 . 1 . 1 84 84 ILE CA C 13 62.075 0.01 . 1 . . . . . 119 ILE CA . 53331 1 295 . 1 . 1 84 84 ILE CB C 13 38.871 0.01 . 1 . . . . . 119 ILE CB . 53331 1 296 . 1 . 1 84 84 ILE N N 15 119.292 0.01 . 1 . . . . . 119 ILE N . 53331 1 297 . 1 . 1 85 85 ASN H H 1 8.064 0.01 . 1 . . . . . 120 ASN H . 53331 1 298 . 1 . 1 85 85 ASN CA C 13 52.347 0.01 . 1 . . . . . 120 ASN CA . 53331 1 299 . 1 . 1 85 85 ASN CB C 13 40.874 0.01 . 1 . . . . . 120 ASN CB . 53331 1 300 . 1 . 1 85 85 ASN N N 15 114.707 0.01 . 1 . . . . . 120 ASN N . 53331 1 301 . 1 . 1 86 86 THR C C 13 176.788 0.01 . 1 . . . . . 121 THR C . 53331 1 302 . 1 . 1 86 86 THR CA C 13 60.27 0.01 . 1 . . . . . 121 THR CA . 53331 1 303 . 1 . 1 86 86 THR CB C 13 70.34 0.01 . 1 . . . . . 121 THR CB . 53331 1 304 . 1 . 1 87 87 ASN H H 1 9.823 0.01 . 1 . . . . . 122 ASN H . 53331 1 305 . 1 . 1 87 87 ASN C C 13 177.011 0.01 . 1 . . . . . 122 ASN C . 53331 1 306 . 1 . 1 87 87 ASN CA C 13 56.732 0.01 . 1 . . . . . 122 ASN CA . 53331 1 307 . 1 . 1 87 87 ASN CB C 13 38.125 0.01 . 1 . . . . . 122 ASN CB . 53331 1 308 . 1 . 1 87 87 ASN N N 15 123.658 0.01 . 1 . . . . . 122 ASN N . 53331 1 309 . 1 . 1 88 88 SER H H 1 8.824 0.01 . 1 . . . . . 123 SER H . 53331 1 310 . 1 . 1 88 88 SER CA C 13 56.044 0.01 . 1 . . . . . 123 SER CA . 53331 1 311 . 1 . 1 88 88 SER CB C 13 65.213 0.01 . 1 . . . . . 123 SER CB . 53331 1 312 . 1 . 1 88 88 SER N N 15 112.433 0.01 . 1 . . . . . 123 SER N . 53331 1 313 . 1 . 1 90 90 PHE C C 13 175.357 0.01 . 1 . . . . . 125 PHE C . 53331 1 314 . 1 . 1 90 90 PHE CA C 13 55.899 0.01 . 1 . . . . . 125 PHE CA . 53331 1 315 . 1 . 1 90 90 PHE CB C 13 38.578 0.01 . 1 . . . . . 125 PHE CB . 53331 1 316 . 1 . 1 91 91 ASP H H 1 6.917 0.01 . 1 . . . . . 126 ASP H . 53331 1 317 . 1 . 1 91 91 ASP C C 13 178.357 0.01 . 1 . . . . . 126 ASP C . 53331 1 318 . 1 . 1 91 91 ASP CA C 13 56.664 0.01 . 1 . . . . . 126 ASP CA . 53331 1 319 . 1 . 1 91 91 ASP CB C 13 42.139 0.01 . 1 . . . . . 126 ASP CB . 53331 1 320 . 1 . 1 91 91 ASP N N 15 120.295 0.01 . 1 . . . . . 126 ASP N . 53331 1 321 . 1 . 1 92 92 GLY H H 1 9.073 0.01 . 1 . . . . . 127 GLY H . 53331 1 322 . 1 . 1 92 92 GLY CA C 13 45.786 0.01 . 1 . . . . . 127 GLY CA . 53331 1 323 . 1 . 1 92 92 GLY N N 15 110.386 0.01 . 1 . . . . . 127 GLY N . 53331 1 324 . 1 . 1 95 95 SER C C 13 179.051 0.01 . 1 . . . . . 130 SER C . 53331 1 325 . 1 . 1 95 95 SER CA C 13 60.777 0.01 . 1 . . . . . 130 SER CA . 53331 1 326 . 1 . 1 95 95 SER CB C 13 63.361 0.01 . 1 . . . . . 130 SER CB . 53331 1 327 . 1 . 1 96 96 ARG H H 1 8.234 0.01 . 1 . . . . . 131 ARG H . 53331 1 328 . 1 . 1 96 96 ARG C C 13 178.153 0.01 . 1 . . . . . 131 ARG C . 53331 1 329 . 1 . 1 96 96 ARG CA C 13 60.922 0.01 . 1 . . . . . 131 ARG CA . 53331 1 330 . 1 . 1 96 96 ARG CB C 13 28.307 0.01 . 1 . . . . . 131 ARG CB . 53331 1 331 . 1 . 1 96 96 ARG N N 15 119.75 0.01 . 1 . . . . . 131 ARG N . 53331 1 332 . 1 . 1 97 97 ALA H H 1 7.989 0.01 . 1 . . . . . 132 ALA H . 53331 1 333 . 1 . 1 97 97 ALA C C 13 179.33 0.01 . 1 . . . . . 132 ALA C . 53331 1 334 . 1 . 1 97 97 ALA CA C 13 56.206 0.01 . 1 . . . . . 132 ALA CA . 53331 1 335 . 1 . 1 97 97 ALA CB C 13 19.52 0.01 . 1 . . . . . 132 ALA CB . 53331 1 336 . 1 . 1 97 97 ALA N N 15 121.706 0.01 . 1 . . . . . 132 ALA N . 53331 1 337 . 1 . 1 98 98 SER H H 1 7.559 0.01 . 1 . . . . . 133 SER H . 53331 1 338 . 1 . 1 98 98 SER C C 13 177.793 0.01 . 1 . . . . . 133 SER C . 53331 1 339 . 1 . 1 98 98 SER CA C 13 61.836 0.01 . 1 . . . . . 133 SER CA . 53331 1 340 . 1 . 1 98 98 SER CB C 13 63.492 0.01 . 1 . . . . . 133 SER CB . 53331 1 341 . 1 . 1 98 98 SER N N 15 113.755 0.01 . 1 . . . . . 133 SER N . 53331 1 342 . 1 . 1 99 99 GLN H H 1 8.186 0.01 . 1 . . . . . 134 GLN H . 53331 1 343 . 1 . 1 99 99 GLN C C 13 178.674 0.01 . 1 . . . . . 134 GLN C . 53331 1 344 . 1 . 1 99 99 GLN CA C 13 59.69 0.01 . 1 . . . . . 134 GLN CA . 53331 1 345 . 1 . 1 99 99 GLN CB C 13 29.826 0.01 . 1 . . . . . 134 GLN CB . 53331 1 346 . 1 . 1 99 99 GLN N N 15 123.653 0.01 . 1 . . . . . 134 GLN N . 53331 1 347 . 1 . 1 100 100 LEU H H 1 8.503 0.01 . 1 . . . . . 135 LEU H . 53331 1 348 . 1 . 1 100 100 LEU C C 13 178.6 0.01 . 1 . . . . . 135 LEU C . 53331 1 349 . 1 . 1 100 100 LEU CA C 13 58.189 0.01 . 1 . . . . . 135 LEU CA . 53331 1 350 . 1 . 1 100 100 LEU CB C 13 43.029 0.01 . 1 . . . . . 135 LEU CB . 53331 1 351 . 1 . 1 100 100 LEU N N 15 121.629 0.01 . 1 . . . . . 135 LEU N . 53331 1 352 . 1 . 1 101 101 SER H H 1 7.81 0.01 . 1 . . . . . 136 SER H . 53331 1 353 . 1 . 1 101 101 SER C C 13 177.891 0.01 . 1 . . . . . 136 SER C . 53331 1 354 . 1 . 1 101 101 SER CA C 13 61.91 0.01 . 1 . . . . . 136 SER CA . 53331 1 355 . 1 . 1 101 101 SER CB C 13 62.826 0.01 . 1 . . . . . 136 SER CB . 53331 1 356 . 1 . 1 101 101 SER N N 15 114.204 0.01 . 1 . . . . . 136 SER N . 53331 1 357 . 1 . 1 102 102 ALA H H 1 7.979 0.01 . 1 . . . . . 137 ALA H . 53331 1 358 . 1 . 1 102 102 ALA C C 13 180.764 0.01 . 1 . . . . . 137 ALA C . 53331 1 359 . 1 . 1 102 102 ALA CA C 13 55.221 0.01 . 1 . . . . . 137 ALA CA . 53331 1 360 . 1 . 1 102 102 ALA CB C 13 18.624 0.01 . 1 . . . . . 137 ALA CB . 53331 1 361 . 1 . 1 102 102 ALA N N 15 123.341 0.01 . 1 . . . . . 137 ALA N . 53331 1 362 . 1 . 1 103 103 ALA H H 1 8.296 0.01 . 1 . . . . . 138 ALA H . 53331 1 363 . 1 . 1 103 103 ALA C C 13 179.443 0.01 . 1 . . . . . 138 ALA C . 53331 1 364 . 1 . 1 103 103 ALA CA C 13 54.989 0.01 . 1 . . . . . 138 ALA CA . 53331 1 365 . 1 . 1 103 103 ALA CB C 13 18.4 0.01 . 1 . . . . . 138 ALA CB . 53331 1 366 . 1 . 1 103 103 ALA N N 15 123.854 0.01 . 1 . . . . . 138 ALA N . 53331 1 367 . 1 . 1 104 104 LEU H H 1 8.152 0.01 . 1 . . . . . 139 LEU H . 53331 1 368 . 1 . 1 104 104 LEU C C 13 179.222 0.01 . 1 . . . . . 139 LEU C . 53331 1 369 . 1 . 1 104 104 LEU CA C 13 58.25 0.01 . 1 . . . . . 139 LEU CA . 53331 1 370 . 1 . 1 104 104 LEU CB C 13 41.977 0.01 . 1 . . . . . 139 LEU CB . 53331 1 371 . 1 . 1 104 104 LEU N N 15 119.371 0.01 . 1 . . . . . 139 LEU N . 53331 1 372 . 1 . 1 105 105 ASN H H 1 7.801 0.01 . 1 . . . . . 140 ASN H . 53331 1 373 . 1 . 1 105 105 ASN C C 13 178.51 0.01 . 1 . . . . . 140 ASN C . 53331 1 374 . 1 . 1 105 105 ASN CA C 13 56.939 0.01 . 1 . . . . . 140 ASN CA . 53331 1 375 . 1 . 1 105 105 ASN CB C 13 38.47 0.01 . 1 . . . . . 140 ASN CB . 53331 1 376 . 1 . 1 105 105 ASN N N 15 117.391 0.01 . 1 . . . . . 140 ASN N . 53331 1 377 . 1 . 1 106 106 TYR H H 1 8.474 0.01 . 1 . . . . . 141 TYR H . 53331 1 378 . 1 . 1 106 106 TYR C C 13 177.733 0.01 . 1 . . . . . 141 TYR C . 53331 1 379 . 1 . 1 106 106 TYR CA C 13 61.717 0.01 . 1 . . . . . 141 TYR CA . 53331 1 380 . 1 . 1 106 106 TYR CB C 13 38.059 0.01 . 1 . . . . . 141 TYR CB . 53331 1 381 . 1 . 1 106 106 TYR N N 15 123.037 0.01 . 1 . . . . . 141 TYR N . 53331 1 382 . 1 . 1 107 107 LEU H H 1 8.582 0.01 . 1 . . . . . 142 LEU H . 53331 1 383 . 1 . 1 107 107 LEU C C 13 178.046 0.01 . 1 . . . . . 142 LEU C . 53331 1 384 . 1 . 1 107 107 LEU CA C 13 58.818 0.01 . 1 . . . . . 142 LEU CA . 53331 1 385 . 1 . 1 107 107 LEU CB C 13 42.616 0.01 . 1 . . . . . 142 LEU CB . 53331 1 386 . 1 . 1 107 107 LEU N N 15 120.648 0.01 . 1 . . . . . 142 LEU N . 53331 1 387 . 1 . 1 108 108 ARG H H 1 7.462 0.01 . 1 . . . . . 143 ARG H . 53331 1 388 . 1 . 1 108 108 ARG C C 13 177.038 0.01 . 1 . . . . . 143 ARG C . 53331 1 389 . 1 . 1 108 108 ARG CA C 13 58.621 0.01 . 1 . . . . . 143 ARG CA . 53331 1 390 . 1 . 1 108 108 ARG CB C 13 32.185 0.01 . 1 . . . . . 143 ARG CB . 53331 1 391 . 1 . 1 108 108 ARG N N 15 111.097 0.01 . 1 . . . . . 143 ARG N . 53331 1 392 . 1 . 1 109 109 THR H H 1 7.715 0.01 . 1 . . . . . 144 THR H . 53331 1 393 . 1 . 1 109 109 THR C C 13 176.629 0.01 . 1 . . . . . 144 THR C . 53331 1 394 . 1 . 1 109 109 THR CA C 13 63.584 0.01 . 1 . . . . . 144 THR CA . 53331 1 395 . 1 . 1 109 109 THR CB C 13 71.837 0.01 . 1 . . . . . 144 THR CB . 53331 1 396 . 1 . 1 109 109 THR N N 15 107.278 0.01 . 1 . . . . . 144 THR N . 53331 1 397 . 1 . 1 110 110 SER H H 1 8.308 0.01 . 1 . . . . . 145 SER H . 53331 1 398 . 1 . 1 110 110 SER C C 13 172.971 0.01 . 1 . . . . . 145 SER C . 53331 1 399 . 1 . 1 110 110 SER CA C 13 58.579 0.01 . 1 . . . . . 145 SER CA . 53331 1 400 . 1 . 1 110 110 SER CB C 13 66.051 0.01 . 1 . . . . . 145 SER CB . 53331 1 401 . 1 . 1 110 110 SER N N 15 116.489 0.01 . 1 . . . . . 145 SER N . 53331 1 402 . 1 . 1 111 111 SER H H 1 6.787 0.01 . 1 . . . . . 146 SER H . 53331 1 403 . 1 . 1 111 111 SER CA C 13 56.954 0.01 . 1 . . . . . 146 SER CA . 53331 1 404 . 1 . 1 111 111 SER CB C 13 61.079 0.01 . 1 . . . . . 146 SER CB . 53331 1 405 . 1 . 1 111 111 SER N N 15 116.432 0.01 . 1 . . . . . 146 SER N . 53331 1 406 . 1 . 1 114 114 ALA C C 13 178.68 0.01 . 1 . . . . . 149 ALA C . 53331 1 407 . 1 . 1 114 114 ALA CA C 13 55.103 0.01 . 1 . . . . . 149 ALA CA . 53331 1 408 . 1 . 1 114 114 ALA CB C 13 19.009 0.01 . 1 . . . . . 149 ALA CB . 53331 1 409 . 1 . 1 115 115 VAL H H 1 6.769 0.01 . 1 . . . . . 150 VAL H . 53331 1 410 . 1 . 1 115 115 VAL C C 13 177.735 0.01 . 1 . . . . . 150 VAL C . 53331 1 411 . 1 . 1 115 115 VAL CA C 13 64.632 0.01 . 1 . . . . . 150 VAL CA . 53331 1 412 . 1 . 1 115 115 VAL CB C 13 31.414 0.01 . 1 . . . . . 150 VAL CB . 53331 1 413 . 1 . 1 115 115 VAL N N 15 114.238 0.01 . 1 . . . . . 150 VAL N . 53331 1 414 . 1 . 1 116 116 ARG H H 1 7.863 0.01 . 1 . . . . . 151 ARG H . 53331 1 415 . 1 . 1 116 116 ARG C C 13 179.378 0.01 . 1 . . . . . 151 ARG C . 53331 1 416 . 1 . 1 116 116 ARG CA C 13 59.607 0.01 . 1 . . . . . 151 ARG CA . 53331 1 417 . 1 . 1 116 116 ARG CB C 13 29.741 0.01 . 1 . . . . . 151 ARG CB . 53331 1 418 . 1 . 1 116 116 ARG N N 15 119.082 0.01 . 1 . . . . . 151 ARG N . 53331 1 419 . 1 . 1 117 117 ALA H H 1 7.901 0.01 . 1 . . . . . 152 ALA H . 53331 1 420 . 1 . 1 117 117 ALA C C 13 178.121 0.01 . 1 . . . . . 152 ALA C . 53331 1 421 . 1 . 1 117 117 ALA CA C 13 54.344 0.01 . 1 . . . . . 152 ALA CA . 53331 1 422 . 1 . 1 117 117 ALA CB C 13 18.752 0.01 . 1 . . . . . 152 ALA CB . 53331 1 423 . 1 . 1 117 117 ALA N N 15 118.141 0.01 . 1 . . . . . 152 ALA N . 53331 1 424 . 1 . 1 118 118 ARG H H 1 7.184 0.01 . 1 . . . . . 153 ARG H . 53331 1 425 . 1 . 1 118 118 ARG C C 13 174.839 0.01 . 1 . . . . . 153 ARG C . 53331 1 426 . 1 . 1 118 118 ARG CA C 13 55.133 0.01 . 1 . . . . . 153 ARG CA . 53331 1 427 . 1 . 1 118 118 ARG CB C 13 33.949 0.01 . 1 . . . . . 153 ARG CB . 53331 1 428 . 1 . 1 118 118 ARG N N 15 112.084 0.01 . 1 . . . . . 153 ARG N . 53331 1 429 . 1 . 1 119 119 LEU H H 1 7.421 0.01 . 1 . . . . . 154 LEU H . 53331 1 430 . 1 . 1 119 119 LEU C C 13 175.787 0.01 . 1 . . . . . 154 LEU C . 53331 1 431 . 1 . 1 119 119 LEU CA C 13 54.109 0.01 . 1 . . . . . 154 LEU CA . 53331 1 432 . 1 . 1 119 119 LEU CB C 13 46.18 0.01 . 1 . . . . . 154 LEU CB . 53331 1 433 . 1 . 1 119 119 LEU N N 15 121.951 0.01 . 1 . . . . . 154 LEU N . 53331 1 434 . 1 . 1 120 120 ASP H H 1 9.271 0.01 . 1 . . . . . 155 ASP H . 53331 1 435 . 1 . 1 120 120 ASP C C 13 175.772 0.01 . 1 . . . . . 155 ASP C . 53331 1 436 . 1 . 1 120 120 ASP CA C 13 52.221 0.01 . 1 . . . . . 155 ASP CA . 53331 1 437 . 1 . 1 120 120 ASP CB C 13 39.917 0.01 . 1 . . . . . 155 ASP CB . 53331 1 438 . 1 . 1 120 120 ASP N N 15 126.81 0.01 . 1 . . . . . 155 ASP N . 53331 1 439 . 1 . 1 121 121 ALA H H 1 8.31 0.01 . 1 . . . . . 156 ALA H . 53331 1 440 . 1 . 1 121 121 ALA C C 13 176.382 0.01 . 1 . . . . . 156 ALA C . 53331 1 441 . 1 . 1 121 121 ALA CA C 13 53.596 0.01 . 1 . . . . . 156 ALA CA . 53331 1 442 . 1 . 1 121 121 ALA CB C 13 18.677 0.01 . 1 . . . . . 156 ALA CB . 53331 1 443 . 1 . 1 121 121 ALA N N 15 123.945 0.01 . 1 . . . . . 156 ALA N . 53331 1 444 . 1 . 1 122 122 ASN H H 1 8.038 0.01 . 1 . . . . . 157 ASN H . 53331 1 445 . 1 . 1 122 122 ASN C C 13 176.038 0.01 . 1 . . . . . 157 ASN C . 53331 1 446 . 1 . 1 122 122 ASN CA C 13 53.958 0.01 . 1 . . . . . 157 ASN CA . 53331 1 447 . 1 . 1 122 122 ASN CB C 13 39.604 0.01 . 1 . . . . . 157 ASN CB . 53331 1 448 . 1 . 1 122 122 ASN N N 15 112.45 0.01 . 1 . . . . . 157 ASN N . 53331 1 449 . 1 . 1 123 123 ARG H H 1 7.729 0.01 . 1 . . . . . 158 ARG H . 53331 1 450 . 1 . 1 123 123 ARG C C 13 171.636 0.01 . 1 . . . . . 158 ARG C . 53331 1 451 . 1 . 1 123 123 ARG CA C 13 55.885 0.01 . 1 . . . . . 158 ARG CA . 53331 1 452 . 1 . 1 123 123 ARG CB C 13 30.999 0.01 . 1 . . . . . 158 ARG CB . 53331 1 453 . 1 . 1 123 123 ARG N N 15 121.857 0.01 . 1 . . . . . 158 ARG N . 53331 1 454 . 1 . 1 124 124 LEU H H 1 8.367 0.01 . 1 . . . . . 159 LEU H . 53331 1 455 . 1 . 1 124 124 LEU C C 13 175.957 0.01 . 1 . . . . . 159 LEU C . 53331 1 456 . 1 . 1 124 124 LEU CA C 13 52.756 0.01 . 1 . . . . . 159 LEU CA . 53331 1 457 . 1 . 1 124 124 LEU CB C 13 46.007 0.01 . 1 . . . . . 159 LEU CB . 53331 1 458 . 1 . 1 124 124 LEU N N 15 121.209 0.01 . 1 . . . . . 159 LEU N . 53331 1 459 . 1 . 1 125 125 ALA H H 1 8.996 0.01 . 1 . . . . . 160 ALA H . 53331 1 460 . 1 . 1 125 125 ALA C C 13 175.178 0.01 . 1 . . . . . 160 ALA C . 53331 1 461 . 1 . 1 125 125 ALA CA C 13 51.17 0.01 . 1 . . . . . 160 ALA CA . 53331 1 462 . 1 . 1 125 125 ALA CB C 13 25.506 0.01 . 1 . . . . . 160 ALA CB . 53331 1 463 . 1 . 1 125 125 ALA N N 15 122.204 0.01 . 1 . . . . . 160 ALA N . 53331 1 464 . 1 . 1 126 126 VAL H H 1 7.645 0.01 . 1 . . . . . 161 VAL H . 53331 1 465 . 1 . 1 126 126 VAL C C 13 174.469 0.01 . 1 . . . . . 161 VAL C . 53331 1 466 . 1 . 1 126 126 VAL CA C 13 58.841 0.01 . 1 . . . . . 161 VAL CA . 53331 1 467 . 1 . 1 126 126 VAL CB C 13 37.269 0.01 . 1 . . . . . 161 VAL CB . 53331 1 468 . 1 . 1 126 126 VAL N N 15 106.837 0.01 . 1 . . . . . 161 VAL N . 53331 1 469 . 1 . 1 127 127 ALA H H 1 8.482 0.01 . 1 . . . . . 162 ALA H . 53331 1 470 . 1 . 1 127 127 ALA C C 13 176.035 0.01 . 1 . . . . . 162 ALA C . 53331 1 471 . 1 . 1 127 127 ALA CA C 13 51.317 0.01 . 1 . . . . . 162 ALA CA . 53331 1 472 . 1 . 1 127 127 ALA CB C 13 23.141 0.01 . 1 . . . . . 162 ALA CB . 53331 1 473 . 1 . 1 127 127 ALA N N 15 121.155 0.01 . 1 . . . . . 162 ALA N . 53331 1 474 . 1 . 1 128 128 GLY H H 1 7.453 0.01 . 1 . . . . . 163 GLY H . 53331 1 475 . 1 . 1 128 128 GLY C C 13 170.545 0.01 . 1 . . . . . 163 GLY C . 53331 1 476 . 1 . 1 128 128 GLY CA C 13 46.753 0.01 . 1 . . . . . 163 GLY CA . 53331 1 477 . 1 . 1 128 128 GLY N N 15 101.315 0.01 . 1 . . . . . 163 GLY N . 53331 1 478 . 1 . 1 129 129 HIS H H 1 8.379 0.01 . 1 . . . . . 164 HIS H . 53331 1 479 . 1 . 1 129 129 HIS C C 13 176.505 0.01 . 1 . . . . . 164 HIS C . 53331 1 480 . 1 . 1 129 129 HIS CA C 13 53.64 0.01 . 1 . . . . . 164 HIS CA . 53331 1 481 . 1 . 1 129 129 HIS CB C 13 35.968 0.01 . 1 . . . . . 164 HIS CB . 53331 1 482 . 1 . 1 129 129 HIS N N 15 120.58 0.01 . 1 . . . . . 164 HIS N . 53331 1 483 . 1 . 1 130 130 ALA H H 1 9.334 0.01 . 1 . . . . . 165 ALA H . 53331 1 484 . 1 . 1 130 130 ALA CA C 13 54.091 0.01 . 1 . . . . . 165 ALA CA . 53331 1 485 . 1 . 1 130 130 ALA CB C 13 19.213 0.01 . 1 . . . . . 165 ALA CB . 53331 1 486 . 1 . 1 130 130 ALA N N 15 134.533 0.01 . 1 . . . . . 165 ALA N . 53331 1 487 . 1 . 1 131 131 MET C C 13 179.5 0.01 . 1 . . . . . 166 MET C . 53331 1 488 . 1 . 1 131 131 MET CA C 13 62.471 0.01 . 1 . . . . . 166 MET CA . 53331 1 489 . 1 . 1 131 131 MET CB C 13 33.675 0.01 . 1 . . . . . 166 MET CB . 53331 1 490 . 1 . 1 132 132 GLY H H 1 8.875 0.01 . 1 . . . . . 167 GLY H . 53331 1 491 . 1 . 1 132 132 GLY C C 13 177.255 0.01 . 1 . . . . . 167 GLY C . 53331 1 492 . 1 . 1 132 132 GLY CA C 13 47.935 0.01 . 1 . . . . . 167 GLY CA . 53331 1 493 . 1 . 1 132 132 GLY N N 15 107.781 0.01 . 1 . . . . . 167 GLY N . 53331 1 494 . 1 . 1 133 133 GLY H H 1 7.496 0.01 . 1 . . . . . 168 GLY H . 53331 1 495 . 1 . 1 133 133 GLY C C 13 175.837 0.01 . 1 . . . . . 168 GLY C . 53331 1 496 . 1 . 1 133 133 GLY CA C 13 47.405 0.01 . 1 . . . . . 168 GLY CA . 53331 1 497 . 1 . 1 133 133 GLY N N 15 112.464 0.01 . 1 . . . . . 168 GLY N . 53331 1 498 . 1 . 1 134 134 GLY H H 1 8.401 0.01 . 1 . . . . . 169 GLY H . 53331 1 499 . 1 . 1 134 134 GLY C C 13 176.194 0.01 . 1 . . . . . 169 GLY C . 53331 1 500 . 1 . 1 134 134 GLY CA C 13 48.377 0.01 . 1 . . . . . 169 GLY CA . 53331 1 501 . 1 . 1 134 134 GLY N N 15 112.348 0.01 . 1 . . . . . 169 GLY N . 53331 1 502 . 1 . 1 135 135 GLY H H 1 8.353 0.01 . 1 . . . . . 170 GLY H . 53331 1 503 . 1 . 1 135 135 GLY C C 13 174.816 0.01 . 1 . . . . . 170 GLY C . 53331 1 504 . 1 . 1 135 135 GLY CA C 13 48.026 0.01 . 1 . . . . . 170 GLY CA . 53331 1 505 . 1 . 1 135 135 GLY N N 15 107.836 0.01 . 1 . . . . . 170 GLY N . 53331 1 506 . 1 . 1 136 136 THR H H 1 7.211 0.01 . 1 . . . . . 171 THR H . 53331 1 507 . 1 . 1 136 136 THR C C 13 174.513 0.01 . 1 . . . . . 171 THR C . 53331 1 508 . 1 . 1 136 136 THR CA C 13 66.984 0.01 . 1 . . . . . 171 THR CA . 53331 1 509 . 1 . 1 136 136 THR CB C 13 68.062 0.01 . 1 . . . . . 171 THR CB . 53331 1 510 . 1 . 1 136 136 THR N N 15 117.637 0.01 . 1 . . . . . 171 THR N . 53331 1 511 . 1 . 1 137 137 LEU H H 1 6.617 0.01 . 1 . . . . . 172 LEU H . 53331 1 512 . 1 . 1 137 137 LEU C C 13 176.777 0.01 . 1 . . . . . 172 LEU C . 53331 1 513 . 1 . 1 137 137 LEU CA C 13 58.279 0.01 . 1 . . . . . 172 LEU CA . 53331 1 514 . 1 . 1 137 137 LEU CB C 13 38.91 0.01 . 1 . . . . . 172 LEU CB . 53331 1 515 . 1 . 1 137 137 LEU N N 15 121.123 0.01 . 1 . . . . . 172 LEU N . 53331 1 516 . 1 . 1 138 138 ARG H H 1 7.064 0.01 . 1 . . . . . 173 ARG H . 53331 1 517 . 1 . 1 138 138 ARG C C 13 178.873 0.01 . 1 . . . . . 173 ARG C . 53331 1 518 . 1 . 1 138 138 ARG CA C 13 57.825 0.01 . 1 . . . . . 173 ARG CA . 53331 1 519 . 1 . 1 138 138 ARG CB C 13 28.049 0.01 . 1 . . . . . 173 ARG CB . 53331 1 520 . 1 . 1 138 138 ARG N N 15 115.748 0.01 . 1 . . . . . 173 ARG N . 53331 1 521 . 1 . 1 139 139 ILE H H 1 8.54 0.01 . 1 . . . . . 174 ILE H . 53331 1 522 . 1 . 1 139 139 ILE C C 13 176.638 0.01 . 1 . . . . . 174 ILE C . 53331 1 523 . 1 . 1 139 139 ILE CA C 13 63.631 0.01 . 1 . . . . . 174 ILE CA . 53331 1 524 . 1 . 1 139 139 ILE CB C 13 36.758 0.01 . 1 . . . . . 174 ILE CB . 53331 1 525 . 1 . 1 139 139 ILE N N 15 119.025 0.01 . 1 . . . . . 174 ILE N . 53331 1 526 . 1 . 1 140 140 ALA H H 1 7.503 0.01 . 1 . . . . . 175 ALA H . 53331 1 527 . 1 . 1 140 140 ALA C C 13 180.725 0.01 . 1 . . . . . 175 ALA C . 53331 1 528 . 1 . 1 140 140 ALA CA C 13 55.1 0.01 . 1 . . . . . 175 ALA CA . 53331 1 529 . 1 . 1 140 140 ALA CB C 13 16.31 0.01 . 1 . . . . . 175 ALA CB . 53331 1 530 . 1 . 1 140 140 ALA N N 15 124.674 0.01 . 1 . . . . . 175 ALA N . 53331 1 531 . 1 . 1 141 141 GLU H H 1 7.586 0.01 . 1 . . . . . 176 GLU H . 53331 1 532 . 1 . 1 141 141 GLU C C 13 177.373 0.01 . 1 . . . . . 176 GLU C . 53331 1 533 . 1 . 1 141 141 GLU CA C 13 59.501 0.01 . 1 . . . . . 176 GLU CA . 53331 1 534 . 1 . 1 141 141 GLU CB C 13 31.485 0.01 . 1 . . . . . 176 GLU CB . 53331 1 535 . 1 . 1 141 141 GLU N N 15 119.034 0.01 . 1 . . . . . 176 GLU N . 53331 1 536 . 1 . 1 142 142 GLN H H 1 7.582 0.01 . 1 . . . . . 177 GLN H . 53331 1 537 . 1 . 1 142 142 GLN C C 13 176.71 0.01 . 1 . . . . . 177 GLN C . 53331 1 538 . 1 . 1 142 142 GLN CA C 13 57.296 0.01 . 1 . . . . . 177 GLN CA . 53331 1 539 . 1 . 1 142 142 GLN CB C 13 29.58 0.01 . 1 . . . . . 177 GLN CB . 53331 1 540 . 1 . 1 142 142 GLN N N 15 115.911 0.01 . 1 . . . . . 177 GLN N . 53331 1 541 . 1 . 1 143 143 ASN H H 1 8.152 0.01 . 1 . . . . . 178 ASN H . 53331 1 542 . 1 . 1 143 143 ASN CA C 13 50.256 0.01 . 1 . . . . . 178 ASN CA . 53331 1 543 . 1 . 1 143 143 ASN CB C 13 38.466 0.01 . 1 . . . . . 178 ASN CB . 53331 1 544 . 1 . 1 143 143 ASN N N 15 115.846 0.01 . 1 . . . . . 178 ASN N . 53331 1 545 . 1 . 1 144 144 PRO C C 13 176.768 0.01 . 1 . . . . . 179 PRO C . 53331 1 546 . 1 . 1 144 144 PRO CA C 13 63.289 0.01 . 1 . . . . . 179 PRO CA . 53331 1 547 . 1 . 1 144 144 PRO CB C 13 31.845 0.01 . 1 . . . . . 179 PRO CB . 53331 1 548 . 1 . 1 145 145 SER H H 1 7.714 0.01 . 1 . . . . . 180 SER H . 53331 1 549 . 1 . 1 145 145 SER C C 13 176.275 0.01 . 1 . . . . . 180 SER C . 53331 1 550 . 1 . 1 145 145 SER CA C 13 59.6 0.01 . 1 . . . . . 180 SER CA . 53331 1 551 . 1 . 1 145 145 SER CB C 13 63.821 0.01 . 1 . . . . . 180 SER CB . 53331 1 552 . 1 . 1 145 145 SER N N 15 112.643 0.01 . 1 . . . . . 180 SER N . 53331 1 553 . 1 . 1 146 146 LEU H H 1 7.27 0.01 . 1 . . . . . 181 LEU H . 53331 1 554 . 1 . 1 146 146 LEU C C 13 176.331 0.01 . 1 . . . . . 181 LEU C . 53331 1 555 . 1 . 1 146 146 LEU CA C 13 55.654 0.01 . 1 . . . . . 181 LEU CA . 53331 1 556 . 1 . 1 146 146 LEU CB C 13 43.371 0.01 . 1 . . . . . 181 LEU CB . 53331 1 557 . 1 . 1 146 146 LEU N N 15 123.66 0.01 . 1 . . . . . 181 LEU N . 53331 1 558 . 1 . 1 147 147 LYS H H 1 9.41 0.01 . 1 . . . . . 182 LYS H . 53331 1 559 . 1 . 1 147 147 LYS C C 13 176.801 0.01 . 1 . . . . . 182 LYS C . 53331 1 560 . 1 . 1 147 147 LYS CA C 13 55.451 0.01 . 1 . . . . . 182 LYS CA . 53331 1 561 . 1 . 1 147 147 LYS CB C 13 33.444 0.01 . 1 . . . . . 182 LYS CB . 53331 1 562 . 1 . 1 147 147 LYS N N 15 114.974 0.01 . 1 . . . . . 182 LYS N . 53331 1 563 . 1 . 1 148 148 ALA H H 1 7.026 0.01 . 1 . . . . . 183 ALA H . 53331 1 564 . 1 . 1 148 148 ALA C C 13 175.784 0.01 . 1 . . . . . 183 ALA C . 53331 1 565 . 1 . 1 148 148 ALA CA C 13 51.834 0.01 . 1 . . . . . 183 ALA CA . 53331 1 566 . 1 . 1 148 148 ALA CB C 13 23.558 0.01 . 1 . . . . . 183 ALA CB . 53331 1 567 . 1 . 1 148 148 ALA N N 15 112.041 0.01 . 1 . . . . . 183 ALA N . 53331 1 568 . 1 . 1 149 149 ALA H H 1 8.432 0.01 . 1 . . . . . 184 ALA H . 53331 1 569 . 1 . 1 149 149 ALA C C 13 177.074 0.01 . 1 . . . . . 184 ALA C . 53331 1 570 . 1 . 1 149 149 ALA CA C 13 50.792 0.01 . 1 . . . . . 184 ALA CA . 53331 1 571 . 1 . 1 149 149 ALA CB C 13 22.082 0.01 . 1 . . . . . 184 ALA CB . 53331 1 572 . 1 . 1 149 149 ALA N N 15 119.8 0.01 . 1 . . . . . 184 ALA N . 53331 1 573 . 1 . 1 150 150 VAL H H 1 8.073 0.01 . 1 . . . . . 185 VAL H . 53331 1 574 . 1 . 1 150 150 VAL CA C 13 59.821 0.01 . 1 . . . . . 185 VAL CA . 53331 1 575 . 1 . 1 150 150 VAL CB C 13 34.516 0.01 . 1 . . . . . 185 VAL CB . 53331 1 576 . 1 . 1 150 150 VAL N N 15 118.641 0.01 . 1 . . . . . 185 VAL N . 53331 1 577 . 1 . 1 151 151 PRO C C 13 175.087 0.01 . 1 . . . . . 186 PRO C . 53331 1 578 . 1 . 1 151 151 PRO CA C 13 60.874 0.01 . 1 . . . . . 186 PRO CA . 53331 1 579 . 1 . 1 151 151 PRO CB C 13 31.743 0.01 . 1 . . . . . 186 PRO CB . 53331 1 580 . 1 . 1 152 152 LEU H H 1 9.307 0.01 . 1 . . . . . 187 LEU H . 53331 1 581 . 1 . 1 152 152 LEU C C 13 176.261 0.01 . 1 . . . . . 187 LEU C . 53331 1 582 . 1 . 1 152 152 LEU CA C 13 54.791 0.01 . 1 . . . . . 187 LEU CA . 53331 1 583 . 1 . 1 152 152 LEU CB C 13 44.494 0.01 . 1 . . . . . 187 LEU CB . 53331 1 584 . 1 . 1 152 152 LEU N N 15 125.509 0.01 . 1 . . . . . 187 LEU N . 53331 1 585 . 1 . 1 153 153 THR H H 1 9.824 0.01 . 1 . . . . . 188 THR H . 53331 1 586 . 1 . 1 153 153 THR CA C 13 60.373 0.01 . 1 . . . . . 188 THR CA . 53331 1 587 . 1 . 1 153 153 THR CB C 13 69.905 0.01 . 1 . . . . . 188 THR CB . 53331 1 588 . 1 . 1 153 153 THR N N 15 115.015 0.01 . 1 . . . . . 188 THR N . 53331 1 589 . 1 . 1 154 154 PRO C C 13 172.669 0.01 . 1 . . . . . 189 PRO C . 53331 1 590 . 1 . 1 154 154 PRO CA C 13 62.493 0.01 . 1 . . . . . 189 PRO CA . 53331 1 591 . 1 . 1 154 154 PRO CB C 13 33.639 0.01 . 1 . . . . . 189 PRO CB . 53331 1 592 . 1 . 1 155 155 TRP H H 1 6.905 0.01 . 1 . . . . . 190 TRP H . 53331 1 593 . 1 . 1 155 155 TRP C C 13 175.235 0.01 . 1 . . . . . 190 TRP C . 53331 1 594 . 1 . 1 155 155 TRP CA C 13 55.9 0.01 . 1 . . . . . 190 TRP CA . 53331 1 595 . 1 . 1 155 155 TRP CB C 13 35.831 0.01 . 1 . . . . . 190 TRP CB . 53331 1 596 . 1 . 1 155 155 TRP N N 15 119.793 0.01 . 1 . . . . . 190 TRP N . 53331 1 597 . 1 . 1 156 156 HIS H H 1 9.12 0.01 . 1 . . . . . 191 HIS H . 53331 1 598 . 1 . 1 156 156 HIS C C 13 175.165 0.01 . 1 . . . . . 191 HIS C . 53331 1 599 . 1 . 1 156 156 HIS CA C 13 59.421 0.01 . 1 . . . . . 191 HIS CA . 53331 1 600 . 1 . 1 156 156 HIS CB C 13 33.323 0.01 . 1 . . . . . 191 HIS CB . 53331 1 601 . 1 . 1 156 156 HIS N N 15 128.45 0.01 . 1 . . . . . 191 HIS N . 53331 1 602 . 1 . 1 157 157 THR H H 1 9.73 0.01 . 1 . . . . . 192 THR H . 53331 1 603 . 1 . 1 157 157 THR C C 13 176.481 0.01 . 1 . . . . . 192 THR C . 53331 1 604 . 1 . 1 157 157 THR CA C 13 64.152 0.01 . 1 . . . . . 192 THR CA . 53331 1 605 . 1 . 1 157 157 THR CB C 13 68.908 0.01 . 1 . . . . . 192 THR CB . 53331 1 606 . 1 . 1 157 157 THR N N 15 118.642 0.01 . 1 . . . . . 192 THR N . 53331 1 607 . 1 . 1 158 158 ASP H H 1 9.088 0.01 . 1 . . . . . 193 ASP H . 53331 1 608 . 1 . 1 158 158 ASP C C 13 175.452 0.01 . 1 . . . . . 193 ASP C . 53331 1 609 . 1 . 1 158 158 ASP CA C 13 54.153 0.01 . 1 . . . . . 193 ASP CA . 53331 1 610 . 1 . 1 158 158 ASP CB C 13 41.084 0.01 . 1 . . . . . 193 ASP CB . 53331 1 611 . 1 . 1 158 158 ASP N N 15 128.493 0.01 . 1 . . . . . 193 ASP N . 53331 1 612 . 1 . 1 159 159 LYS H H 1 7.705 0.01 . 1 . . . . . 194 LYS H . 53331 1 613 . 1 . 1 159 159 LYS C C 13 177.269 0.01 . 1 . . . . . 194 LYS C . 53331 1 614 . 1 . 1 159 159 LYS CA C 13 54.311 0.01 . 1 . . . . . 194 LYS CA . 53331 1 615 . 1 . 1 159 159 LYS CB C 13 33.102 0.01 . 1 . . . . . 194 LYS CB . 53331 1 616 . 1 . 1 159 159 LYS N N 15 111.653 0.01 . 1 . . . . . 194 LYS N . 53331 1 617 . 1 . 1 160 160 THR H H 1 6.972 0.01 . 1 . . . . . 195 THR H . 53331 1 618 . 1 . 1 160 160 THR C C 13 171.838 0.01 . 1 . . . . . 195 THR C . 53331 1 619 . 1 . 1 160 160 THR CA C 13 61.992 0.01 . 1 . . . . . 195 THR CA . 53331 1 620 . 1 . 1 160 160 THR CB C 13 70.327 0.01 . 1 . . . . . 195 THR CB . 53331 1 621 . 1 . 1 160 160 THR N N 15 115.45 0.01 . 1 . . . . . 195 THR N . 53331 1 622 . 1 . 1 161 161 PHE H H 1 7.943 0.01 . 1 . . . . . 196 PHE H . 53331 1 623 . 1 . 1 161 161 PHE C C 13 174.738 0.01 . 1 . . . . . 196 PHE C . 53331 1 624 . 1 . 1 161 161 PHE CA C 13 56.653 0.01 . 1 . . . . . 196 PHE CA . 53331 1 625 . 1 . 1 161 161 PHE CB C 13 40.405 0.01 . 1 . . . . . 196 PHE CB . 53331 1 626 . 1 . 1 161 161 PHE N N 15 125.477 0.01 . 1 . . . . . 196 PHE N . 53331 1 627 . 1 . 1 162 162 ASN H H 1 9.856 0.01 . 1 . . . . . 197 ASN H . 53331 1 628 . 1 . 1 162 162 ASN C C 13 174.019 0.01 . 1 . . . . . 197 ASN C . 53331 1 629 . 1 . 1 162 162 ASN CA C 13 52.237 0.01 . 1 . . . . . 197 ASN CA . 53331 1 630 . 1 . 1 162 162 ASN CB C 13 38.087 0.01 . 1 . . . . . 197 ASN CB . 53331 1 631 . 1 . 1 162 162 ASN N N 15 124.413 0.01 . 1 . . . . . 197 ASN N . 53331 1 632 . 1 . 1 163 163 THR H H 1 6.644 0.01 . 1 . . . . . 198 THR H . 53331 1 633 . 1 . 1 163 163 THR C C 13 172.018 0.01 . 1 . . . . . 198 THR C . 53331 1 634 . 1 . 1 163 163 THR CA C 13 58.871 0.01 . 1 . . . . . 198 THR CA . 53331 1 635 . 1 . 1 163 163 THR CB C 13 70.516 0.01 . 1 . . . . . 198 THR CB . 53331 1 636 . 1 . 1 163 163 THR N N 15 113.605 0.01 . 1 . . . . . 198 THR N . 53331 1 637 . 1 . 1 164 164 SER H H 1 8.259 0.01 . 1 . . . . . 199 SER H . 53331 1 638 . 1 . 1 164 164 SER C C 13 173.285 0.01 . 1 . . . . . 199 SER C . 53331 1 639 . 1 . 1 164 164 SER CA C 13 58.34 0.01 . 1 . . . . . 199 SER CA . 53331 1 640 . 1 . 1 164 164 SER CB C 13 64.175 0.01 . 1 . . . . . 199 SER CB . 53331 1 641 . 1 . 1 164 164 SER N N 15 121.877 0.01 . 1 . . . . . 199 SER N . 53331 1 642 . 1 . 1 165 165 VAL H H 1 8.278 0.01 . 1 . . . . . 200 VAL H . 53331 1 643 . 1 . 1 165 165 VAL CA C 13 60.915 0.01 . 1 . . . . . 200 VAL CA . 53331 1 644 . 1 . 1 165 165 VAL CB C 13 33.728 0.01 . 1 . . . . . 200 VAL CB . 53331 1 645 . 1 . 1 165 165 VAL N N 15 130.669 0.01 . 1 . . . . . 200 VAL N . 53331 1 646 . 1 . 1 166 166 PRO C C 13 178.151 0.01 . 1 . . . . . 201 PRO C . 53331 1 647 . 1 . 1 166 166 PRO CA C 13 63.647 0.01 . 1 . . . . . 201 PRO CA . 53331 1 648 . 1 . 1 166 166 PRO CB C 13 31.708 0.01 . 1 . . . . . 201 PRO CB . 53331 1 649 . 1 . 1 167 167 VAL H H 1 8.259 0.01 . 1 . . . . . 202 VAL H . 53331 1 650 . 1 . 1 167 167 VAL C C 13 173.062 0.01 . 1 . . . . . 202 VAL C . 53331 1 651 . 1 . 1 167 167 VAL CA C 13 61.536 0.01 . 1 . . . . . 202 VAL CA . 53331 1 652 . 1 . 1 167 167 VAL CB C 13 36.387 0.01 . 1 . . . . . 202 VAL CB . 53331 1 653 . 1 . 1 167 167 VAL N N 15 128.952 0.01 . 1 . . . . . 202 VAL N . 53331 1 654 . 1 . 1 168 168 LEU H H 1 7.471 0.01 . 1 . . . . . 203 LEU H . 53331 1 655 . 1 . 1 168 168 LEU C C 13 174.36 0.01 . 1 . . . . . 203 LEU C . 53331 1 656 . 1 . 1 168 168 LEU CA C 13 53.546 0.01 . 1 . . . . . 203 LEU CA . 53331 1 657 . 1 . 1 168 168 LEU CB C 13 41.296 0.01 . 1 . . . . . 203 LEU CB . 53331 1 658 . 1 . 1 168 168 LEU N N 15 130.399 0.01 . 1 . . . . . 203 LEU N . 53331 1 659 . 1 . 1 169 169 ILE H H 1 8.751 0.01 . 1 . . . . . 204 ILE H . 53331 1 660 . 1 . 1 169 169 ILE C C 13 174.762 0.01 . 1 . . . . . 204 ILE C . 53331 1 661 . 1 . 1 169 169 ILE CA C 13 59.943 0.01 . 1 . . . . . 204 ILE CA . 53331 1 662 . 1 . 1 169 169 ILE CB C 13 41.829 0.01 . 1 . . . . . 204 ILE CB . 53331 1 663 . 1 . 1 169 169 ILE N N 15 123.268 0.01 . 1 . . . . . 204 ILE N . 53331 1 664 . 1 . 1 170 170 VAL H H 1 7.804 0.01 . 1 . . . . . 205 VAL H . 53331 1 665 . 1 . 1 170 170 VAL C C 13 175.937 0.01 . 1 . . . . . 205 VAL C . 53331 1 666 . 1 . 1 170 170 VAL CA C 13 60.267 0.01 . 1 . . . . . 205 VAL CA . 53331 1 667 . 1 . 1 170 170 VAL CB C 13 33.768 0.01 . 1 . . . . . 205 VAL CB . 53331 1 668 . 1 . 1 170 170 VAL N N 15 124.841 0.01 . 1 . . . . . 205 VAL N . 53331 1 669 . 1 . 1 171 171 GLY H H 1 9.634 0.01 . 1 . . . . . 206 GLY H . 53331 1 670 . 1 . 1 171 171 GLY C C 13 171.561 0.01 . 1 . . . . . 206 GLY C . 53331 1 671 . 1 . 1 171 171 GLY CA C 13 42.864 0.01 . 1 . . . . . 206 GLY CA . 53331 1 672 . 1 . 1 171 171 GLY N N 15 116.155 0.01 . 1 . . . . . 206 GLY N . 53331 1 673 . 1 . 1 172 172 ALA H H 1 8.755 0.01 . 1 . . . . . 207 ALA H . 53331 1 674 . 1 . 1 172 172 ALA C C 13 176.188 0.01 . 1 . . . . . 207 ALA C . 53331 1 675 . 1 . 1 172 172 ALA CA C 13 51.19 0.01 . 1 . . . . . 207 ALA CA . 53331 1 676 . 1 . 1 172 172 ALA CB C 13 21.528 0.01 . 1 . . . . . 207 ALA CB . 53331 1 677 . 1 . 1 172 172 ALA N N 15 125.452 0.01 . 1 . . . . . 207 ALA N . 53331 1 678 . 1 . 1 173 173 GLU H H 1 8.172 0.01 . 1 . . . . . 208 GLU H . 53331 1 679 . 1 . 1 173 173 GLU C C 13 178.469 0.01 . 1 . . . . . 208 GLU C . 53331 1 680 . 1 . 1 173 173 GLU CA C 13 60.383 0.01 . 1 . . . . . 208 GLU CA . 53331 1 681 . 1 . 1 173 173 GLU CB C 13 32.289 0.01 . 1 . . . . . 208 GLU CB . 53331 1 682 . 1 . 1 173 173 GLU N N 15 123.354 0.01 . 1 . . . . . 208 GLU N . 53331 1 683 . 1 . 1 174 174 ALA H H 1 8.236 0.01 . 1 . . . . . 209 ALA H . 53331 1 684 . 1 . 1 174 174 ALA C C 13 177.07 0.01 . 1 . . . . . 209 ALA C . 53331 1 685 . 1 . 1 174 174 ALA CA C 13 50.699 0.01 . 1 . . . . . 209 ALA CA . 53331 1 686 . 1 . 1 174 174 ALA CB C 13 17.824 0.01 . 1 . . . . . 209 ALA CB . 53331 1 687 . 1 . 1 174 174 ALA N N 15 118.089 0.01 . 1 . . . . . 209 ALA N . 53331 1 688 . 1 . 1 175 175 ASP H H 1 7.355 0.01 . 1 . . . . . 210 ASP H . 53331 1 689 . 1 . 1 175 175 ASP C C 13 178.7 0.01 . 1 . . . . . 210 ASP C . 53331 1 690 . 1 . 1 175 175 ASP CA C 13 55.336 0.01 . 1 . . . . . 210 ASP CA . 53331 1 691 . 1 . 1 175 175 ASP CB C 13 42.192 0.01 . 1 . . . . . 210 ASP CB . 53331 1 692 . 1 . 1 175 175 ASP N N 15 119.484 0.01 . 1 . . . . . 210 ASP N . 53331 1 693 . 1 . 1 176 176 THR H H 1 8.491 0.01 . 1 . . . . . 211 THR H . 53331 1 694 . 1 . 1 176 176 THR C C 13 175.202 0.01 . 1 . . . . . 211 THR C . 53331 1 695 . 1 . 1 176 176 THR CA C 13 62.047 0.01 . 1 . . . . . 211 THR CA . 53331 1 696 . 1 . 1 176 176 THR CB C 13 69.642 0.01 . 1 . . . . . 211 THR CB . 53331 1 697 . 1 . 1 176 176 THR N N 15 117.445 0.01 . 1 . . . . . 211 THR N . 53331 1 698 . 1 . 1 177 177 VAL H H 1 8.971 0.01 . 1 . . . . . 212 VAL H . 53331 1 699 . 1 . 1 177 177 VAL C C 13 175.779 0.01 . 1 . . . . . 212 VAL C . 53331 1 700 . 1 . 1 177 177 VAL CA C 13 64.666 0.01 . 1 . . . . . 212 VAL CA . 53331 1 701 . 1 . 1 177 177 VAL CB C 13 32.657 0.01 . 1 . . . . . 212 VAL CB . 53331 1 702 . 1 . 1 177 177 VAL N N 15 128.637 0.01 . 1 . . . . . 212 VAL N . 53331 1 703 . 1 . 1 178 178 ALA H H 1 9.42 0.01 . 1 . . . . . 213 ALA H . 53331 1 704 . 1 . 1 178 178 ALA CA C 13 48.244 0.01 . 1 . . . . . 213 ALA CA . 53331 1 705 . 1 . 1 178 178 ALA CB C 13 19.894 0.01 . 1 . . . . . 213 ALA CB . 53331 1 706 . 1 . 1 178 178 ALA N N 15 125.087 0.01 . 1 . . . . . 213 ALA N . 53331 1 707 . 1 . 1 179 179 PRO C C 13 180.881 0.01 . 1 . . . . . 214 PRO C . 53331 1 708 . 1 . 1 179 179 PRO CA C 13 63.555 0.01 . 1 . . . . . 214 PRO CA . 53331 1 709 . 1 . 1 179 179 PRO CB C 13 31.759 0.01 . 1 . . . . . 214 PRO CB . 53331 1 710 . 1 . 1 180 180 VAL H H 1 8.908 0.01 . 1 . . . . . 215 VAL H . 53331 1 711 . 1 . 1 180 180 VAL C C 13 177.888 0.01 . 1 . . . . . 215 VAL C . 53331 1 712 . 1 . 1 180 180 VAL CA C 13 66.207 0.01 . 1 . . . . . 215 VAL CA . 53331 1 713 . 1 . 1 180 180 VAL CB C 13 31.358 0.01 . 1 . . . . . 215 VAL CB . 53331 1 714 . 1 . 1 180 180 VAL N N 15 120.216 0.01 . 1 . . . . . 215 VAL N . 53331 1 715 . 1 . 1 181 181 SER H H 1 8.401 0.01 . 1 . . . . . 216 SER H . 53331 1 716 . 1 . 1 181 181 SER C C 13 174.892 0.01 . 1 . . . . . 216 SER C . 53331 1 717 . 1 . 1 181 181 SER CA C 13 60.387 0.01 . 1 . . . . . 216 SER CA . 53331 1 718 . 1 . 1 181 181 SER CB C 13 63.541 0.01 . 1 . . . . . 216 SER CB . 53331 1 719 . 1 . 1 181 181 SER N N 15 112.348 0.01 . 1 . . . . . 216 SER N . 53331 1 720 . 1 . 1 182 182 GLN H H 1 7.294 0.01 . 1 . . . . . 217 GLN H . 53331 1 721 . 1 . 1 182 182 GLN C C 13 175.706 0.01 . 1 . . . . . 217 GLN C . 53331 1 722 . 1 . 1 182 182 GLN CA C 13 55.574 0.01 . 1 . . . . . 217 GLN CA . 53331 1 723 . 1 . 1 182 182 GLN CB C 13 32.244 0.01 . 1 . . . . . 217 GLN CB . 53331 1 724 . 1 . 1 182 182 GLN N N 15 116.395 0.01 . 1 . . . . . 217 GLN N . 53331 1 725 . 1 . 1 183 183 HIS H H 1 7.341 0.01 . 1 . . . . . 218 HIS H . 53331 1 726 . 1 . 1 183 183 HIS C C 13 171.88 0.01 . 1 . . . . . 218 HIS C . 53331 1 727 . 1 . 1 183 183 HIS CA C 13 57.11 0.01 . 1 . . . . . 218 HIS CA . 53331 1 728 . 1 . 1 183 183 HIS CB C 13 32.837 0.01 . 1 . . . . . 218 HIS CB . 53331 1 729 . 1 . 1 183 183 HIS N N 15 121.491 0.01 . 1 . . . . . 218 HIS N . 53331 1 730 . 1 . 1 184 184 ALA H H 1 7.192 0.01 . 1 . . . . . 219 ALA H . 53331 1 731 . 1 . 1 184 184 ALA C C 13 176.759 0.01 . 1 . . . . . 219 ALA C . 53331 1 732 . 1 . 1 184 184 ALA CA C 13 58.394 0.01 . 1 . . . . . 219 ALA CA . 53331 1 733 . 1 . 1 184 184 ALA CB C 13 20.629 0.01 . 1 . . . . . 219 ALA CB . 53331 1 734 . 1 . 1 184 184 ALA N N 15 118.109 0.01 . 1 . . . . . 219 ALA N . 53331 1 735 . 1 . 1 185 185 ILE H H 1 8.691 0.01 . 1 . . . . . 220 ILE H . 53331 1 736 . 1 . 1 185 185 ILE CA C 13 67.714 0.01 . 1 . . . . . 220 ILE CA . 53331 1 737 . 1 . 1 185 185 ILE CB C 13 34.718 0.01 . 1 . . . . . 220 ILE CB . 53331 1 738 . 1 . 1 185 185 ILE N N 15 112.631 0.01 . 1 . . . . . 220 ILE N . 53331 1 739 . 1 . 1 186 186 PRO C C 13 178.505 0.01 . 1 . . . . . 221 PRO C . 53331 1 740 . 1 . 1 186 186 PRO CA C 13 66.648 0.01 . 1 . . . . . 221 PRO CA . 53331 1 741 . 1 . 1 186 186 PRO CB C 13 30.296 0.01 . 1 . . . . . 221 PRO CB . 53331 1 742 . 1 . 1 187 187 PHE H H 1 8.031 0.01 . 1 . . . . . 222 PHE H . 53331 1 743 . 1 . 1 187 187 PHE C C 13 178.971 0.01 . 1 . . . . . 222 PHE C . 53331 1 744 . 1 . 1 187 187 PHE CA C 13 57.401 0.01 . 1 . . . . . 222 PHE CA . 53331 1 745 . 1 . 1 187 187 PHE CB C 13 37.841 0.01 . 1 . . . . . 222 PHE CB . 53331 1 746 . 1 . 1 187 187 PHE N N 15 113.494 0.01 . 1 . . . . . 222 PHE N . 53331 1 747 . 1 . 1 188 188 TYR H H 1 8.136 0.01 . 1 . . . . . 223 TYR H . 53331 1 748 . 1 . 1 188 188 TYR C C 13 178.241 0.01 . 1 . . . . . 223 TYR C . 53331 1 749 . 1 . 1 188 188 TYR CA C 13 62.325 0.01 . 1 . . . . . 223 TYR CA . 53331 1 750 . 1 . 1 188 188 TYR CB C 13 38.608 0.01 . 1 . . . . . 223 TYR CB . 53331 1 751 . 1 . 1 188 188 TYR N N 15 118.459 0.01 . 1 . . . . . 223 TYR N . 53331 1 752 . 1 . 1 189 189 GLN H H 1 9.211 0.01 . 1 . . . . . 224 GLN H . 53331 1 753 . 1 . 1 189 189 GLN C C 13 177.497 0.01 . 1 . . . . . 224 GLN C . 53331 1 754 . 1 . 1 189 189 GLN CA C 13 58.576 0.01 . 1 . . . . . 224 GLN CA . 53331 1 755 . 1 . 1 189 189 GLN CB C 13 29.409 0.01 . 1 . . . . . 224 GLN CB . 53331 1 756 . 1 . 1 189 189 GLN N N 15 119.438 0.01 . 1 . . . . . 224 GLN N . 53331 1 757 . 1 . 1 190 190 ASN H H 1 8.172 0.01 . 1 . . . . . 225 ASN H . 53331 1 758 . 1 . 1 190 190 ASN C C 13 176.02 0.01 . 1 . . . . . 225 ASN C . 53331 1 759 . 1 . 1 190 190 ASN CA C 13 53.553 0.01 . 1 . . . . . 225 ASN CA . 53331 1 760 . 1 . 1 190 190 ASN CB C 13 39.46 0.01 . 1 . . . . . 225 ASN CB . 53331 1 761 . 1 . 1 190 190 ASN N N 15 113.981 0.01 . 1 . . . . . 225 ASN N . 53331 1 762 . 1 . 1 191 191 LEU H H 1 6.92 0.01 . 1 . . . . . 226 LEU H . 53331 1 763 . 1 . 1 191 191 LEU CA C 13 54.358 0.01 . 1 . . . . . 226 LEU CA . 53331 1 764 . 1 . 1 191 191 LEU CB C 13 42.864 0.01 . 1 . . . . . 226 LEU CB . 53331 1 765 . 1 . 1 191 191 LEU N N 15 122.271 0.01 . 1 . . . . . 226 LEU N . 53331 1 766 . 1 . 1 194 194 THR C C 13 174.565 0.01 . 1 . . . . . 229 THR C . 53331 1 767 . 1 . 1 194 194 THR CA C 13 61.481 0.01 . 1 . . . . . 229 THR CA . 53331 1 768 . 1 . 1 194 194 THR CB C 13 69.406 0.01 . 1 . . . . . 229 THR CB . 53331 1 769 . 1 . 1 195 195 THR H H 1 7.562 0.01 . 1 . . . . . 230 THR H . 53331 1 770 . 1 . 1 195 195 THR CA C 13 61.495 0.01 . 1 . . . . . 230 THR CA . 53331 1 771 . 1 . 1 195 195 THR CB C 13 71.244 0.01 . 1 . . . . . 230 THR CB . 53331 1 772 . 1 . 1 195 195 THR N N 15 123.244 0.01 . 1 . . . . . 230 THR N . 53331 1 773 . 1 . 1 196 196 PRO C C 13 175.099 0.01 . 1 . . . . . 231 PRO C . 53331 1 774 . 1 . 1 196 196 PRO CA C 13 64.63 0.01 . 1 . . . . . 231 PRO CA . 53331 1 775 . 1 . 1 196 196 PRO CB C 13 32.326 0.01 . 1 . . . . . 231 PRO CB . 53331 1 776 . 1 . 1 197 197 LYS H H 1 8.536 0.01 . 1 . . . . . 232 LYS H . 53331 1 777 . 1 . 1 197 197 LYS C C 13 176.279 0.01 . 1 . . . . . 232 LYS C . 53331 1 778 . 1 . 1 197 197 LYS CA C 13 54.244 0.01 . 1 . . . . . 232 LYS CA . 53331 1 779 . 1 . 1 197 197 LYS CB C 13 36.023 0.01 . 1 . . . . . 232 LYS CB . 53331 1 780 . 1 . 1 197 197 LYS N N 15 122.075 0.01 . 1 . . . . . 232 LYS N . 53331 1 781 . 1 . 1 198 198 VAL H H 1 8.481 0.01 . 1 . . . . . 233 VAL H . 53331 1 782 . 1 . 1 198 198 VAL C C 13 172.833 0.01 . 1 . . . . . 233 VAL C . 53331 1 783 . 1 . 1 198 198 VAL CA C 13 60.941 0.01 . 1 . . . . . 233 VAL CA . 53331 1 784 . 1 . 1 198 198 VAL CB C 13 37.426 0.01 . 1 . . . . . 233 VAL CB . 53331 1 785 . 1 . 1 198 198 VAL N N 15 124.023 0.01 . 1 . . . . . 233 VAL N . 53331 1 786 . 1 . 1 199 199 TYR H H 1 9.012 0.01 . 1 . . . . . 234 TYR H . 53331 1 787 . 1 . 1 199 199 TYR C C 13 173.631 0.01 . 1 . . . . . 234 TYR C . 53331 1 788 . 1 . 1 199 199 TYR CA C 13 55.905 0.01 . 1 . . . . . 234 TYR CA . 53331 1 789 . 1 . 1 199 199 TYR CB C 13 41.431 0.01 . 1 . . . . . 234 TYR CB . 53331 1 790 . 1 . 1 199 199 TYR N N 15 127.678 0.01 . 1 . . . . . 234 TYR N . 53331 1 791 . 1 . 1 200 200 VAL H H 1 7.968 0.01 . 1 . . . . . 235 VAL H . 53331 1 792 . 1 . 1 200 200 VAL C C 13 172.089 0.01 . 1 . . . . . 235 VAL C . 53331 1 793 . 1 . 1 200 200 VAL CA C 13 58.433 0.01 . 1 . . . . . 235 VAL CA . 53331 1 794 . 1 . 1 200 200 VAL CB C 13 33.818 0.01 . 1 . . . . . 235 VAL CB . 53331 1 795 . 1 . 1 200 200 VAL N N 15 120.032 0.01 . 1 . . . . . 235 VAL N . 53331 1 796 . 1 . 1 201 201 GLU H H 1 7.52 0.01 . 1 . . . . . 236 GLU H . 53331 1 797 . 1 . 1 201 201 GLU C C 13 176.114 0.01 . 1 . . . . . 236 GLU C . 53331 1 798 . 1 . 1 201 201 GLU CA C 13 53.802 0.01 . 1 . . . . . 236 GLU CA . 53331 1 799 . 1 . 1 201 201 GLU CB C 13 34.838 0.01 . 1 . . . . . 236 GLU CB . 53331 1 800 . 1 . 1 201 201 GLU N N 15 123.149 0.01 . 1 . . . . . 236 GLU N . 53331 1 801 . 1 . 1 202 202 LEU H H 1 8.839 0.01 . 1 . . . . . 237 LEU H . 53331 1 802 . 1 . 1 202 202 LEU C C 13 177.83 0.01 . 1 . . . . . 237 LEU C . 53331 1 803 . 1 . 1 202 202 LEU CA C 13 54.987 0.01 . 1 . . . . . 237 LEU CA . 53331 1 804 . 1 . 1 202 202 LEU CB C 13 43.009 0.01 . 1 . . . . . 237 LEU CB . 53331 1 805 . 1 . 1 202 202 LEU N N 15 127.565 0.01 . 1 . . . . . 237 LEU N . 53331 1 806 . 1 . 1 203 203 CYS H H 1 8.551 0.01 . 1 . . . . . 238 CYS H . 53331 1 807 . 1 . 1 203 203 CYS C C 13 176.713 0.01 . 1 . . . . . 238 CYS C . 53331 1 808 . 1 . 1 203 203 CYS CA C 13 55.314 0.01 . 1 . . . . . 238 CYS CA . 53331 1 809 . 1 . 1 203 203 CYS CB C 13 40.519 0.01 . 1 . . . . . 238 CYS CB . 53331 1 810 . 1 . 1 203 203 CYS N N 15 123.347 0.01 . 1 . . . . . 238 CYS N . 53331 1 811 . 1 . 1 204 204 ASN H H 1 10.741 0.01 . 1 . . . . . 239 ASN H . 53331 1 812 . 1 . 1 204 204 ASN C C 13 173.574 0.01 . 1 . . . . . 239 ASN C . 53331 1 813 . 1 . 1 204 204 ASN CA C 13 55.326 0.01 . 1 . . . . . 239 ASN CA . 53331 1 814 . 1 . 1 204 204 ASN CB C 13 38.458 0.01 . 1 . . . . . 239 ASN CB . 53331 1 815 . 1 . 1 204 204 ASN N N 15 119.467 0.01 . 1 . . . . . 239 ASN N . 53331 1 816 . 1 . 1 205 205 ALA H H 1 6.838 0.01 . 1 . . . . . 240 ALA H . 53331 1 817 . 1 . 1 205 205 ALA C C 13 175.347 0.01 . 1 . . . . . 240 ALA C . 53331 1 818 . 1 . 1 205 205 ALA CA C 13 51.845 0.01 . 1 . . . . . 240 ALA CA . 53331 1 819 . 1 . 1 205 205 ALA CB C 13 22.237 0.01 . 1 . . . . . 240 ALA CB . 53331 1 820 . 1 . 1 205 205 ALA N N 15 120.683 0.01 . 1 . . . . . 240 ALA N . 53331 1 821 . 1 . 1 206 206 SER H H 1 8.442 0.01 . 1 . . . . . 241 SER H . 53331 1 822 . 1 . 1 206 206 SER C C 13 174.79 0.01 . 1 . . . . . 241 SER C . 53331 1 823 . 1 . 1 206 206 SER CA C 13 56.387 0.01 . 1 . . . . . 241 SER CA . 53331 1 824 . 1 . 1 206 206 SER CB C 13 66.634 0.01 . 1 . . . . . 241 SER CB . 53331 1 825 . 1 . 1 206 206 SER N N 15 116.27 0.01 . 1 . . . . . 241 SER N . 53331 1 826 . 1 . 1 207 207 HIS H H 1 8.663 0.01 . 1 . . . . . 242 HIS H . 53331 1 827 . 1 . 1 207 207 HIS C C 13 174.359 0.01 . 1 . . . . . 242 HIS C . 53331 1 828 . 1 . 1 207 207 HIS CA C 13 60.449 0.01 . 1 . . . . . 242 HIS CA . 53331 1 829 . 1 . 1 207 207 HIS N N 15 117.743 0.01 . 1 . . . . . 242 HIS N . 53331 1 830 . 1 . 1 208 208 ILE H H 1 6.961 0.01 . 1 . . . . . 243 ILE H . 53331 1 831 . 1 . 1 208 208 ILE C C 13 178.767 0.01 . 1 . . . . . 243 ILE C . 53331 1 832 . 1 . 1 208 208 ILE CA C 13 60.412 0.01 . 1 . . . . . 243 ILE CA . 53331 1 833 . 1 . 1 208 208 ILE CB C 13 37.812 0.01 . 1 . . . . . 243 ILE CB . 53331 1 834 . 1 . 1 208 208 ILE N N 15 100.113 0.01 . 1 . . . . . 243 ILE N . 53331 1 835 . 1 . 1 209 209 ALA H H 1 7.854 0.01 . 1 . . . . . 244 ALA H . 53331 1 836 . 1 . 1 209 209 ALA CA C 13 56.222 0.01 . 1 . . . . . 244 ALA CA . 53331 1 837 . 1 . 1 209 209 ALA CB C 13 16.294 0.01 . 1 . . . . . 244 ALA CB . 53331 1 838 . 1 . 1 209 209 ALA N N 15 129.747 0.01 . 1 . . . . . 244 ALA N . 53331 1 839 . 1 . 1 210 210 PRO C C 13 175.397 0.01 . 1 . . . . . 245 PRO C . 53331 1 840 . 1 . 1 210 210 PRO CA C 13 64.497 0.01 . 1 . . . . . 245 PRO CA . 53331 1 841 . 1 . 1 210 210 PRO CB C 13 31.483 0.01 . 1 . . . . . 245 PRO CB . 53331 1 842 . 1 . 1 211 211 ASN H H 1 7.929 0.01 . 1 . . . . . 246 ASN H . 53331 1 843 . 1 . 1 211 211 ASN C C 13 173.629 0.01 . 1 . . . . . 246 ASN C . 53331 1 844 . 1 . 1 211 211 ASN CA C 13 53.806 0.01 . 1 . . . . . 246 ASN CA . 53331 1 845 . 1 . 1 211 211 ASN CB C 13 39.659 0.01 . 1 . . . . . 246 ASN CB . 53331 1 846 . 1 . 1 211 211 ASN N N 15 111.887 0.01 . 1 . . . . . 246 ASN N . 53331 1 847 . 1 . 1 212 212 SER H H 1 7.582 0.01 . 1 . . . . . 247 SER H . 53331 1 848 . 1 . 1 212 212 SER C C 13 169.668 0.01 . 1 . . . . . 247 SER C . 53331 1 849 . 1 . 1 212 212 SER CA C 13 56.967 0.01 . 1 . . . . . 247 SER CA . 53331 1 850 . 1 . 1 212 212 SER CB C 13 65.326 0.01 . 1 . . . . . 247 SER CB . 53331 1 851 . 1 . 1 212 212 SER N N 15 114.177 0.01 . 1 . . . . . 247 SER N . 53331 1 852 . 1 . 1 213 213 ASN H H 1 7.113 0.01 . 1 . . . . . 248 ASN H . 53331 1 853 . 1 . 1 213 213 ASN C C 13 174.993 0.01 . 1 . . . . . 248 ASN C . 53331 1 854 . 1 . 1 213 213 ASN CA C 13 54.506 0.01 . 1 . . . . . 248 ASN CA . 53331 1 855 . 1 . 1 213 213 ASN CB C 13 38.809 0.01 . 1 . . . . . 248 ASN CB . 53331 1 856 . 1 . 1 213 213 ASN N N 15 113.374 0.01 . 1 . . . . . 248 ASN N . 53331 1 857 . 1 . 1 214 214 ASN H H 1 5.492 0.01 . 1 . . . . . 249 ASN H . 53331 1 858 . 1 . 1 214 214 ASN CA C 13 54.004 0.01 . 1 . . . . . 249 ASN CA . 53331 1 859 . 1 . 1 214 214 ASN CB C 13 41.261 0.01 . 1 . . . . . 249 ASN CB . 53331 1 860 . 1 . 1 214 214 ASN N N 15 125.195 0.01 . 1 . . . . . 249 ASN N . 53331 1 861 . 1 . 1 215 215 ALA C C 13 178.28 0.01 . 1 . . . . . 250 ALA C . 53331 1 862 . 1 . 1 215 215 ALA CA C 13 56.179 0.01 . 1 . . . . . 250 ALA CA . 53331 1 863 . 1 . 1 215 215 ALA CB C 13 18.598 0.01 . 1 . . . . . 250 ALA CB . 53331 1 864 . 1 . 1 216 216 ALA H H 1 7.967 0.01 . 1 . . . . . 251 ALA H . 53331 1 865 . 1 . 1 216 216 ALA C C 13 179.909 0.01 . 1 . . . . . 251 ALA C . 53331 1 866 . 1 . 1 216 216 ALA CA C 13 55.662 0.01 . 1 . . . . . 251 ALA CA . 53331 1 867 . 1 . 1 216 216 ALA CB C 13 18.278 0.01 . 1 . . . . . 251 ALA CB . 53331 1 868 . 1 . 1 216 216 ALA N N 15 119.593 0.01 . 1 . . . . . 251 ALA N . 53331 1 869 . 1 . 1 217 217 ILE H H 1 8.926 0.01 . 1 . . . . . 252 ILE H . 53331 1 870 . 1 . 1 217 217 ILE C C 13 178.844 0.01 . 1 . . . . . 252 ILE C . 53331 1 871 . 1 . 1 217 217 ILE CA C 13 67.193 0.01 . 1 . . . . . 252 ILE CA . 53331 1 872 . 1 . 1 217 217 ILE CB C 13 37.94 0.01 . 1 . . . . . 252 ILE CB . 53331 1 873 . 1 . 1 217 217 ILE N N 15 116.249 0.01 . 1 . . . . . 252 ILE N . 53331 1 874 . 1 . 1 218 218 SER H H 1 8.16 0.01 . 1 . . . . . 253 SER H . 53331 1 875 . 1 . 1 218 218 SER C C 13 175.215 0.01 . 1 . . . . . 253 SER C . 53331 1 876 . 1 . 1 218 218 SER CA C 13 63.335 0.01 . 1 . . . . . 253 SER CA . 53331 1 877 . 1 . 1 218 218 SER CB C 13 64.749 0.01 . 1 . . . . . 253 SER CB . 53331 1 878 . 1 . 1 218 218 SER N N 15 114.4 0.01 . 1 . . . . . 253 SER N . 53331 1 879 . 1 . 1 219 219 VAL H H 1 8.197 0.01 . 1 . . . . . 254 VAL H . 53331 1 880 . 1 . 1 219 219 VAL C C 13 180.014 0.01 . 1 . . . . . 254 VAL C . 53331 1 881 . 1 . 1 219 219 VAL CA C 13 67.048 0.01 . 1 . . . . . 254 VAL CA . 53331 1 882 . 1 . 1 219 219 VAL CB C 13 32.384 0.01 . 1 . . . . . 254 VAL CB . 53331 1 883 . 1 . 1 219 219 VAL N N 15 117.986 0.01 . 1 . . . . . 254 VAL N . 53331 1 884 . 1 . 1 220 220 TYR H H 1 8.174 0.01 . 1 . . . . . 255 TYR H . 53331 1 885 . 1 . 1 220 220 TYR C C 13 177.389 0.01 . 1 . . . . . 255 TYR C . 53331 1 886 . 1 . 1 220 220 TYR CA C 13 64.68 0.01 . 1 . . . . . 255 TYR CA . 53331 1 887 . 1 . 1 220 220 TYR CB C 13 37.701 0.01 . 1 . . . . . 255 TYR CB . 53331 1 888 . 1 . 1 220 220 TYR N N 15 117.399 0.01 . 1 . . . . . 255 TYR N . 53331 1 889 . 1 . 1 221 221 THR H H 1 8.229 0.01 . 1 . . . . . 256 THR H . 53331 1 890 . 1 . 1 221 221 THR C C 13 176.755 0.01 . 1 . . . . . 256 THR C . 53331 1 891 . 1 . 1 221 221 THR CA C 13 68.779 0.01 . 1 . . . . . 256 THR CA . 53331 1 892 . 1 . 1 221 221 THR CB C 13 67.768 0.01 . 1 . . . . . 256 THR CB . 53331 1 893 . 1 . 1 221 221 THR N N 15 114.744 0.01 . 1 . . . . . 256 THR N . 53331 1 894 . 1 . 1 222 222 ILE H H 1 8.323 0.01 . 1 . . . . . 257 ILE H . 53331 1 895 . 1 . 1 222 222 ILE C C 13 178.227 0.01 . 1 . . . . . 257 ILE C . 53331 1 896 . 1 . 1 222 222 ILE CA C 13 66.865 0.01 . 1 . . . . . 257 ILE CA . 53331 1 897 . 1 . 1 222 222 ILE CB C 13 38.668 0.01 . 1 . . . . . 257 ILE CB . 53331 1 898 . 1 . 1 222 222 ILE N N 15 118.987 0.01 . 1 . . . . . 257 ILE N . 53331 1 899 . 1 . 1 223 223 SER H H 1 7.882 0.01 . 1 . . . . . 258 SER H . 53331 1 900 . 1 . 1 223 223 SER C C 13 175.105 0.01 . 1 . . . . . 258 SER C . 53331 1 901 . 1 . 1 223 223 SER CA C 13 64.463 0.01 . 1 . . . . . 258 SER CA . 53331 1 902 . 1 . 1 223 223 SER CB C 13 63.335 0.01 . 1 . . . . . 258 SER CB . 53331 1 903 . 1 . 1 223 223 SER N N 15 111.824 0.01 . 1 . . . . . 258 SER N . 53331 1 904 . 1 . 1 224 224 TRP H H 1 8.347 0.01 . 1 . . . . . 259 TRP H . 53331 1 905 . 1 . 1 224 224 TRP C C 13 177.672 0.01 . 1 . . . . . 259 TRP C . 53331 1 906 . 1 . 1 224 224 TRP CA C 13 60.607 0.01 . 1 . . . . . 259 TRP CA . 53331 1 907 . 1 . 1 224 224 TRP CB C 13 31.317 0.01 . 1 . . . . . 259 TRP CB . 53331 1 908 . 1 . 1 224 224 TRP N N 15 122.157 0.01 . 1 . . . . . 259 TRP N . 53331 1 909 . 1 . 1 225 225 MET H H 1 7.826 0.01 . 1 . . . . . 260 MET H . 53331 1 910 . 1 . 1 225 225 MET C C 13 179.175 0.01 . 1 . . . . . 260 MET C . 53331 1 911 . 1 . 1 225 225 MET CA C 13 57.389 0.01 . 1 . . . . . 260 MET CA . 53331 1 912 . 1 . 1 225 225 MET CB C 13 32.001 0.01 . 1 . . . . . 260 MET CB . 53331 1 913 . 1 . 1 225 225 MET N N 15 112.639 0.01 . 1 . . . . . 260 MET N . 53331 1 914 . 1 . 1 226 226 LYS H H 1 8.987 0.01 . 1 . . . . . 261 LYS H . 53331 1 915 . 1 . 1 226 226 LYS C C 13 179.407 0.01 . 1 . . . . . 261 LYS C . 53331 1 916 . 1 . 1 226 226 LYS CA C 13 58.984 0.01 . 1 . . . . . 261 LYS CA . 53331 1 917 . 1 . 1 226 226 LYS CB C 13 35.545 0.01 . 1 . . . . . 261 LYS CB . 53331 1 918 . 1 . 1 226 226 LYS N N 15 120.248 0.01 . 1 . . . . . 261 LYS N . 53331 1 919 . 1 . 1 227 227 LEU H H 1 8.09 0.01 . 1 . . . . . 262 LEU H . 53331 1 920 . 1 . 1 227 227 LEU C C 13 178.054 0.01 . 1 . . . . . 262 LEU C . 53331 1 921 . 1 . 1 227 227 LEU CA C 13 57.779 0.01 . 1 . . . . . 262 LEU CA . 53331 1 922 . 1 . 1 227 227 LEU CB C 13 42.288 0.01 . 1 . . . . . 262 LEU CB . 53331 1 923 . 1 . 1 227 227 LEU N N 15 118.84 0.01 . 1 . . . . . 262 LEU N . 53331 1 924 . 1 . 1 228 228 TRP H H 1 7.204 0.01 . 1 . . . . . 263 TRP H . 53331 1 925 . 1 . 1 228 228 TRP C C 13 178.312 0.01 . 1 . . . . . 263 TRP C . 53331 1 926 . 1 . 1 228 228 TRP CA C 13 57.623 0.01 . 1 . . . . . 263 TRP CA . 53331 1 927 . 1 . 1 228 228 TRP CB C 13 31.663 0.01 . 1 . . . . . 263 TRP CB . 53331 1 928 . 1 . 1 228 228 TRP N N 15 114.156 0.01 . 1 . . . . . 263 TRP N . 53331 1 929 . 1 . 1 229 229 VAL H H 1 9.272 0.01 . 1 . . . . . 264 VAL H . 53331 1 930 . 1 . 1 229 229 VAL C C 13 178.964 0.01 . 1 . . . . . 264 VAL C . 53331 1 931 . 1 . 1 229 229 VAL CA C 13 66.178 0.01 . 1 . . . . . 264 VAL CA . 53331 1 932 . 1 . 1 229 229 VAL CB C 13 30.807 0.01 . 1 . . . . . 264 VAL CB . 53331 1 933 . 1 . 1 229 229 VAL N N 15 119.267 0.01 . 1 . . . . . 264 VAL N . 53331 1 934 . 1 . 1 230 230 ASP H H 1 6.801 0.01 . 1 . . . . . 265 ASP H . 53331 1 935 . 1 . 1 230 230 ASP C C 13 175.369 0.01 . 1 . . . . . 265 ASP C . 53331 1 936 . 1 . 1 230 230 ASP CA C 13 53.421 0.01 . 1 . . . . . 265 ASP CA . 53331 1 937 . 1 . 1 230 230 ASP CB C 13 41.066 0.01 . 1 . . . . . 265 ASP CB . 53331 1 938 . 1 . 1 230 230 ASP N N 15 116.988 0.01 . 1 . . . . . 265 ASP N . 53331 1 939 . 1 . 1 231 231 ASN H H 1 6.78 0.01 . 1 . . . . . 266 ASN H . 53331 1 940 . 1 . 1 231 231 ASN C C 13 175.09 0.01 . 1 . . . . . 266 ASN C . 53331 1 941 . 1 . 1 231 231 ASN CA C 13 54.356 0.01 . 1 . . . . . 266 ASN CA . 53331 1 942 . 1 . 1 231 231 ASN CB C 13 37.406 0.01 . 1 . . . . . 266 ASN CB . 53331 1 943 . 1 . 1 231 231 ASN N N 15 115.612 0.01 . 1 . . . . . 266 ASN N . 53331 1 944 . 1 . 1 232 232 ASP H H 1 7.848 0.01 . 1 . . . . . 267 ASP H . 53331 1 945 . 1 . 1 232 232 ASP C C 13 176.884 0.01 . 1 . . . . . 267 ASP C . 53331 1 946 . 1 . 1 232 232 ASP CA C 13 53.293 0.01 . 1 . . . . . 267 ASP CA . 53331 1 947 . 1 . 1 232 232 ASP CB C 13 40.834 0.01 . 1 . . . . . 267 ASP CB . 53331 1 948 . 1 . 1 232 232 ASP N N 15 115.16 0.01 . 1 . . . . . 267 ASP N . 53331 1 949 . 1 . 1 233 233 THR H H 1 7.81 0.01 . 1 . . . . . 268 THR H . 53331 1 950 . 1 . 1 233 233 THR C C 13 177.055 0.01 . 1 . . . . . 268 THR C . 53331 1 951 . 1 . 1 233 233 THR CA C 13 64.179 0.01 . 1 . . . . . 268 THR CA . 53331 1 952 . 1 . 1 233 233 THR CB C 13 68.591 0.01 . 1 . . . . . 268 THR CB . 53331 1 953 . 1 . 1 233 233 THR N N 15 114.914 0.01 . 1 . . . . . 268 THR N . 53331 1 954 . 1 . 1 234 234 ARG H H 1 8.236 0.01 . 1 . . . . . 269 ARG H . 53331 1 955 . 1 . 1 234 234 ARG C C 13 177.079 0.01 . 1 . . . . . 269 ARG C . 53331 1 956 . 1 . 1 234 234 ARG CA C 13 58.744 0.01 . 1 . . . . . 269 ARG CA . 53331 1 957 . 1 . 1 234 234 ARG CB C 13 30.213 0.01 . 1 . . . . . 269 ARG CB . 53331 1 958 . 1 . 1 234 234 ARG N N 15 122.497 0.01 . 1 . . . . . 269 ARG N . 53331 1 959 . 1 . 1 235 235 TYR H H 1 7.745 0.01 . 1 . . . . . 270 TYR H . 53331 1 960 . 1 . 1 235 235 TYR C C 13 176.749 0.01 . 1 . . . . . 270 TYR C . 53331 1 961 . 1 . 1 235 235 TYR CA C 13 59.641 0.01 . 1 . . . . . 270 TYR CA . 53331 1 962 . 1 . 1 235 235 TYR CB C 13 38.407 0.01 . 1 . . . . . 270 TYR CB . 53331 1 963 . 1 . 1 235 235 TYR N N 15 113.014 0.01 . 1 . . . . . 270 TYR N . 53331 1 964 . 1 . 1 236 236 ARG H H 1 7.614 0.01 . 1 . . . . . 271 ARG H . 53331 1 965 . 1 . 1 236 236 ARG CA C 13 61.222 0.01 . 1 . . . . . 271 ARG CA . 53331 1 966 . 1 . 1 236 236 ARG CB C 13 30.614 0.01 . 1 . . . . . 271 ARG CB . 53331 1 967 . 1 . 1 236 236 ARG N N 15 120.624 0.01 . 1 . . . . . 271 ARG N . 53331 1 968 . 1 . 1 237 237 GLN C C 13 175.794 0.01 . 1 . . . . . 272 GLN C . 53331 1 969 . 1 . 1 237 237 GLN CA C 13 57.782 0.01 . 1 . . . . . 272 GLN CA . 53331 1 970 . 1 . 1 237 237 GLN CB C 13 28.391 0.01 . 1 . . . . . 272 GLN CB . 53331 1 971 . 1 . 1 238 238 PHE H H 1 6.535 0.01 . 1 . . . . . 273 PHE H . 53331 1 972 . 1 . 1 238 238 PHE C C 13 174.95 0.01 . 1 . . . . . 273 PHE C . 53331 1 973 . 1 . 1 238 238 PHE CA C 13 58.371 0.01 . 1 . . . . . 273 PHE CA . 53331 1 974 . 1 . 1 238 238 PHE CB C 13 39.587 0.01 . 1 . . . . . 273 PHE CB . 53331 1 975 . 1 . 1 238 238 PHE N N 15 116.276 0.01 . 1 . . . . . 273 PHE N . 53331 1 976 . 1 . 1 239 239 LEU H H 1 7.579 0.01 . 1 . . . . . 274 LEU H . 53331 1 977 . 1 . 1 239 239 LEU C C 13 176.199 0.01 . 1 . . . . . 274 LEU C . 53331 1 978 . 1 . 1 239 239 LEU CA C 13 54.413 0.01 . 1 . . . . . 274 LEU CA . 53331 1 979 . 1 . 1 239 239 LEU CB C 13 47.994 0.01 . 1 . . . . . 274 LEU CB . 53331 1 980 . 1 . 1 239 239 LEU N N 15 114.505 0.01 . 1 . . . . . 274 LEU N . 53331 1 981 . 1 . 1 240 240 CYS H H 1 7.34 0.01 . 1 . . . . . 275 CYS H . 53331 1 982 . 1 . 1 240 240 CYS CA C 13 55.416 0.01 . 1 . . . . . 275 CYS CA . 53331 1 983 . 1 . 1 240 240 CYS CB C 13 45.53 0.01 . 1 . . . . . 275 CYS CB . 53331 1 984 . 1 . 1 240 240 CYS N N 15 120.371 0.01 . 1 . . . . . 275 CYS N . 53331 1 985 . 1 . 1 241 241 ASN C C 13 174.454 0.01 . 1 . . . . . 276 ASN C . 53331 1 986 . 1 . 1 241 241 ASN CA C 13 54.287 0.01 . 1 . . . . . 276 ASN CA . 53331 1 987 . 1 . 1 241 241 ASN CB C 13 37.135 0.01 . 1 . . . . . 276 ASN CB . 53331 1 988 . 1 . 1 242 242 VAL H H 1 7.127 0.01 . 1 . . . . . 277 VAL H . 53331 1 989 . 1 . 1 242 242 VAL CA C 13 63.896 0.01 . 1 . . . . . 277 VAL CA . 53331 1 990 . 1 . 1 242 242 VAL CB C 13 32.732 0.01 . 1 . . . . . 277 VAL CB . 53331 1 991 . 1 . 1 242 242 VAL N N 15 118.569 0.01 . 1 . . . . . 277 VAL N . 53331 1 992 . 1 . 1 245 245 PRO C C 13 177.2 0.01 . 1 . . . . . 280 PRO C . 53331 1 993 . 1 . 1 245 245 PRO CA C 13 64.145 0.01 . 1 . . . . . 280 PRO CA . 53331 1 994 . 1 . 1 245 245 PRO CB C 13 32.285 0.01 . 1 . . . . . 280 PRO CB . 53331 1 995 . 1 . 1 246 246 ALA H H 1 8.378 0.01 . 1 . . . . . 281 ALA H . 53331 1 996 . 1 . 1 246 246 ALA C C 13 178.626 0.01 . 1 . . . . . 281 ALA C . 53331 1 997 . 1 . 1 246 246 ALA CA C 13 53.465 0.01 . 1 . . . . . 281 ALA CA . 53331 1 998 . 1 . 1 246 246 ALA CB C 13 19.141 0.01 . 1 . . . . . 281 ALA CB . 53331 1 999 . 1 . 1 246 246 ALA N N 15 119.556 0.01 . 1 . . . . . 281 ALA N . 53331 1 1000 . 1 . 1 247 247 LEU H H 1 8.216 0.01 . 1 . . . . . 282 LEU H . 53331 1 1001 . 1 . 1 247 247 LEU C C 13 176.938 0.01 . 1 . . . . . 282 LEU C . 53331 1 1002 . 1 . 1 247 247 LEU CA C 13 53.956 0.01 . 1 . . . . . 282 LEU CA . 53331 1 1003 . 1 . 1 247 247 LEU CB C 13 42.437 0.01 . 1 . . . . . 282 LEU CB . 53331 1 1004 . 1 . 1 247 247 LEU N N 15 117.321 0.01 . 1 . . . . . 282 LEU N . 53331 1 1005 . 1 . 1 248 248 CYS H H 1 9.218 0.01 . 1 . . . . . 283 CYS H . 53331 1 1006 . 1 . 1 248 248 CYS C C 13 173.857 0.01 . 1 . . . . . 283 CYS C . 53331 1 1007 . 1 . 1 248 248 CYS CA C 13 60.924 0.01 . 1 . . . . . 283 CYS CA . 53331 1 1008 . 1 . 1 248 248 CYS CB C 13 38.876 0.01 . 1 . . . . . 283 CYS CB . 53331 1 1009 . 1 . 1 248 248 CYS N N 15 124.245 0.01 . 1 . . . . . 283 CYS N . 53331 1 1010 . 1 . 1 249 249 ASP H H 1 7.609 0.01 . 1 . . . . . 284 ASP H . 53331 1 1011 . 1 . 1 249 249 ASP C C 13 174.365 0.01 . 1 . . . . . 284 ASP C . 53331 1 1012 . 1 . 1 249 249 ASP CA C 13 54.669 0.01 . 1 . . . . . 284 ASP CA . 53331 1 1013 . 1 . 1 249 249 ASP CB C 13 43.45 0.01 . 1 . . . . . 284 ASP CB . 53331 1 1014 . 1 . 1 249 249 ASP N N 15 116.285 0.01 . 1 . . . . . 284 ASP N . 53331 1 1015 . 1 . 1 250 250 PHE H H 1 8.253 0.01 . 1 . . . . . 285 PHE H . 53331 1 1016 . 1 . 1 250 250 PHE C C 13 174.575 0.01 . 1 . . . . . 285 PHE C . 53331 1 1017 . 1 . 1 250 250 PHE CA C 13 58.012 0.01 . 1 . . . . . 285 PHE CA . 53331 1 1018 . 1 . 1 250 250 PHE CB C 13 41.441 0.01 . 1 . . . . . 285 PHE CB . 53331 1 1019 . 1 . 1 250 250 PHE N N 15 124.457 0.01 . 1 . . . . . 285 PHE N . 53331 1 1020 . 1 . 1 251 251 ARG H H 1 8.916 0.01 . 1 . . . . . 286 ARG H . 53331 1 1021 . 1 . 1 251 251 ARG C C 13 173.86 0.01 . 1 . . . . . 286 ARG C . 53331 1 1022 . 1 . 1 251 251 ARG CA C 13 53.826 0.01 . 1 . . . . . 286 ARG CA . 53331 1 1023 . 1 . 1 251 251 ARG CB C 13 33.711 0.01 . 1 . . . . . 286 ARG CB . 53331 1 1024 . 1 . 1 251 251 ARG N N 15 126.497 0.01 . 1 . . . . . 286 ARG N . 53331 1 1025 . 1 . 1 252 252 THR H H 1 8.367 0.01 . 1 . . . . . 287 THR H . 53331 1 1026 . 1 . 1 252 252 THR C C 13 172.347 0.01 . 1 . . . . . 287 THR C . 53331 1 1027 . 1 . 1 252 252 THR CA C 13 61.567 0.01 . 1 . . . . . 287 THR CA . 53331 1 1028 . 1 . 1 252 252 THR CB C 13 69.52 0.01 . 1 . . . . . 287 THR CB . 53331 1 1029 . 1 . 1 252 252 THR N N 15 114.673 0.01 . 1 . . . . . 287 THR N . 53331 1 1030 . 1 . 1 253 253 ASN H H 1 8.082 0.01 . 1 . . . . . 288 ASN H . 53331 1 1031 . 1 . 1 253 253 ASN C C 13 176.95 0.01 . 1 . . . . . 288 ASN C . 53331 1 1032 . 1 . 1 253 253 ASN CA C 13 52.715 0.01 . 1 . . . . . 288 ASN CA . 53331 1 1033 . 1 . 1 253 253 ASN CB C 13 37.517 0.01 . 1 . . . . . 288 ASN CB . 53331 1 1034 . 1 . 1 253 253 ASN N N 15 120.837 0.01 . 1 . . . . . 288 ASN N . 53331 1 1035 . 1 . 1 254 254 ASN H H 1 9.873 0.01 . 1 . . . . . 289 ASN H . 53331 1 1036 . 1 . 1 254 254 ASN C C 13 176.563 0.01 . 1 . . . . . 289 ASN C . 53331 1 1037 . 1 . 1 254 254 ASN CA C 13 55.194 0.01 . 1 . . . . . 289 ASN CA . 53331 1 1038 . 1 . 1 254 254 ASN CB C 13 39.32 0.01 . 1 . . . . . 289 ASN CB . 53331 1 1039 . 1 . 1 254 254 ASN N N 15 117.655 0.01 . 1 . . . . . 289 ASN N . 53331 1 1040 . 1 . 1 255 255 ARG H H 1 8.6 0.01 . 1 . . . . . 290 ARG H . 53331 1 1041 . 1 . 1 255 255 ARG C C 13 177.017 0.01 . 1 . . . . . 290 ARG C . 53331 1 1042 . 1 . 1 255 255 ARG CA C 13 58.629 0.01 . 1 . . . . . 290 ARG CA . 53331 1 1043 . 1 . 1 255 255 ARG CB C 13 29.907 0.01 . 1 . . . . . 290 ARG CB . 53331 1 1044 . 1 . 1 255 255 ARG N N 15 119.702 0.01 . 1 . . . . . 290 ARG N . 53331 1 1045 . 1 . 1 256 256 HIS H H 1 8.823 0.01 . 1 . . . . . 291 HIS H . 53331 1 1046 . 1 . 1 256 256 HIS C C 13 174.6 0.01 . 1 . . . . . 291 HIS C . 53331 1 1047 . 1 . 1 256 256 HIS CA C 13 56.714 0.01 . 1 . . . . . 291 HIS CA . 53331 1 1048 . 1 . 1 256 256 HIS CB C 13 32.426 0.01 . 1 . . . . . 291 HIS CB . 53331 1 1049 . 1 . 1 256 256 HIS N N 15 113.968 0.01 . 1 . . . . . 291 HIS N . 53331 1 1050 . 1 . 1 257 257 CYS H H 1 6.98 0.01 . 1 . . . . . 292 CYS H . 53331 1 1051 . 1 . 1 257 257 CYS C C 13 173.605 0.01 . 1 . . . . . 292 CYS C . 53331 1 1052 . 1 . 1 257 257 CYS CA C 13 55.668 0.01 . 1 . . . . . 292 CYS CA . 53331 1 1053 . 1 . 1 257 257 CYS CB C 13 42.379 0.01 . 1 . . . . . 292 CYS CB . 53331 1 1054 . 1 . 1 257 257 CYS N N 15 118.052 0.01 . 1 . . . . . 292 CYS N . 53331 1 1055 . 1 . 1 258 258 GLN H H 1 7.394 0.01 . 1 . . . . . 293 GLN H . 53331 1 1056 . 1 . 1 258 258 GLN CA C 13 57.61 0.01 . 1 . . . . . 293 GLN CA . 53331 1 1057 . 1 . 1 258 258 GLN CB C 13 30.675 0.01 . 1 . . . . . 293 GLN CB . 53331 1 1058 . 1 . 1 258 258 GLN N N 15 124.329 0.01 . 1 . . . . . 293 GLN N . 53331 1 stop_ save_