data_50689 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50689 _Entry.Title ; Chemical shift assignments of the Campylobacter jejuni helical cell shape determining protein Pgp2 in its apo form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-04 _Entry.Accession_date 2021-01-04 _Entry.Last_release_date 2021-01-04 _Entry.Original_release_date 2021-01-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 'Chang Sheng-Huei' Lin . . . 0000-0002-6966-4417 50689 2 Lawrence McIntosh . P. . 0000-0002-6749-7272 50689 3 Michael Murphy . E.P. . 0000-0003-2589-0014 50689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 755 50689 '15N chemical shifts' 242 50689 '1H chemical shifts' 242 50689 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 . . 2021-07-27 . original BMRB . 50689 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50689 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33711341 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Peptidoglycan binding by a pocket on the accessory NTF2-domain of Pgp2 directs helical cell shape of Campylobacter jejuni ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 296 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 100528 _Citation.Page_last 100528 _Citation.Year 2021 _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 'Chang Sheng-Huei' Lin . . . . 50689 1 2 Anson Chan . C.K. . . 50689 1 3 Jenny Vermeulen . . . . 50689 1 4 Jacob Brockerman . . . . 50689 1 5 Arvind Soni . S. . . 50689 1 6 Martin Tanner . E. . . 50689 1 7 Erin Gaynor . C. . . 50689 1 8 Lawrence Mclntosh . . . . 50689 1 9 Jean-Pierre Simorre . . . . 50689 1 10 Michael Murphy . E.P. . . 50689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50689 _Assembly.ID 1 _Assembly.Name 'Apo-Pgp2 monomer' _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 yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 33604 _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 'Apo-Pgp2 monomer' 1 $entity_1 . . yes native no no . . . 50689 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 6XJ6 . . X-ray 1.6 'Structure for the apo form protein in this study' . 50689 1 yes PDB 6XJ7 . . X-ray 1.9 'Structure of K307A mutation of the apo form in this study' . 50689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50689 _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 ; GSHMQKDFWLSEIGDKNISL GYYDDNVAIVLTNKTDKILR VYSYEDGKIRKDFEQKEIIT GLMGDKKIEGDLKTPVGFYE LGRKFNPGDPYYGPFAFATT YPNLLDKVQGKTGGGIWIHG YPLDGSRLDEFKTRGCIALF NNNLEKFAQVVQDKKVFVMT EEKEKIRAKKDQIASLLADL FTWKLAWTNSDTNTYLSFYD EQEFKRFDKMKFEQFASMKK SIFSRKEDKKIKFSDINISP YPNLENETMYRISFYEDYYT KNYQFRGDKILYVKIDSKGK MKILAEQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent a non-native affinity tag' _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 287 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33604 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI EAQ72310 . 'hypothetical protein CJJ81176_0915' . . . . . . . . . . . . . . 50689 1 2 yes PDB 6XJ6 . Pgp2 . . . . . . . . . . . . . . 50689 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID LD-carboxypeptidase 50689 1 'helical cell shape determining protein' 50689 1 'peptidoglycan hydrolase' 50689 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 39 GLY . 50689 1 2 40 SER . 50689 1 3 41 HIS . 50689 1 4 42 MET . 50689 1 5 43 GLN . 50689 1 6 44 LYS . 50689 1 7 45 ASP . 50689 1 8 46 PHE . 50689 1 9 47 TRP . 50689 1 10 48 LEU . 50689 1 11 49 SER . 50689 1 12 50 GLU . 50689 1 13 51 ILE . 50689 1 14 52 GLY . 50689 1 15 53 ASP . 50689 1 16 54 LYS . 50689 1 17 55 ASN . 50689 1 18 56 ILE . 50689 1 19 57 SER . 50689 1 20 58 LEU . 50689 1 21 59 GLY . 50689 1 22 60 TYR . 50689 1 23 61 TYR . 50689 1 24 62 ASP . 50689 1 25 63 ASP . 50689 1 26 64 ASN . 50689 1 27 65 VAL . 50689 1 28 66 ALA . 50689 1 29 67 ILE . 50689 1 30 68 VAL . 50689 1 31 69 LEU . 50689 1 32 70 THR . 50689 1 33 71 ASN . 50689 1 34 72 LYS . 50689 1 35 73 THR . 50689 1 36 74 ASP . 50689 1 37 75 LYS . 50689 1 38 76 ILE . 50689 1 39 77 LEU . 50689 1 40 78 ARG . 50689 1 41 79 VAL . 50689 1 42 80 TYR . 50689 1 43 81 SER . 50689 1 44 82 TYR . 50689 1 45 83 GLU . 50689 1 46 84 ASP . 50689 1 47 85 GLY . 50689 1 48 86 LYS . 50689 1 49 87 ILE . 50689 1 50 88 ARG . 50689 1 51 89 LYS . 50689 1 52 90 ASP . 50689 1 53 91 PHE . 50689 1 54 92 GLU . 50689 1 55 93 GLN . 50689 1 56 94 LYS . 50689 1 57 95 GLU . 50689 1 58 96 ILE . 50689 1 59 97 ILE . 50689 1 60 98 THR . 50689 1 61 99 GLY . 50689 1 62 100 LEU . 50689 1 63 101 MET . 50689 1 64 102 GLY . 50689 1 65 103 ASP . 50689 1 66 104 LYS . 50689 1 67 105 LYS . 50689 1 68 106 ILE . 50689 1 69 107 GLU . 50689 1 70 108 GLY . 50689 1 71 109 ASP . 50689 1 72 110 LEU . 50689 1 73 111 LYS . 50689 1 74 112 THR . 50689 1 75 113 PRO . 50689 1 76 114 VAL . 50689 1 77 115 GLY . 50689 1 78 116 PHE . 50689 1 79 117 TYR . 50689 1 80 118 GLU . 50689 1 81 119 LEU . 50689 1 82 120 GLY . 50689 1 83 121 ARG . 50689 1 84 122 LYS . 50689 1 85 123 PHE . 50689 1 86 124 ASN . 50689 1 87 125 PRO . 50689 1 88 126 GLY . 50689 1 89 127 ASP . 50689 1 90 128 PRO . 50689 1 91 129 TYR . 50689 1 92 130 TYR . 50689 1 93 131 GLY . 50689 1 94 132 PRO . 50689 1 95 133 PHE . 50689 1 96 134 ALA . 50689 1 97 135 PHE . 50689 1 98 136 ALA . 50689 1 99 137 THR . 50689 1 100 138 THR . 50689 1 101 139 TYR . 50689 1 102 140 PRO . 50689 1 103 141 ASN . 50689 1 104 142 LEU . 50689 1 105 143 LEU . 50689 1 106 144 ASP . 50689 1 107 145 LYS . 50689 1 108 146 VAL . 50689 1 109 147 GLN . 50689 1 110 148 GLY . 50689 1 111 149 LYS . 50689 1 112 150 THR . 50689 1 113 151 GLY . 50689 1 114 152 GLY . 50689 1 115 153 GLY . 50689 1 116 154 ILE . 50689 1 117 155 TRP . 50689 1 118 156 ILE . 50689 1 119 157 HIS . 50689 1 120 158 GLY . 50689 1 121 159 TYR . 50689 1 122 160 PRO . 50689 1 123 161 LEU . 50689 1 124 162 ASP . 50689 1 125 163 GLY . 50689 1 126 164 SER . 50689 1 127 165 ARG . 50689 1 128 166 LEU . 50689 1 129 167 ASP . 50689 1 130 168 GLU . 50689 1 131 169 PHE . 50689 1 132 170 LYS . 50689 1 133 171 THR . 50689 1 134 172 ARG . 50689 1 135 173 GLY . 50689 1 136 174 CYS . 50689 1 137 175 ILE . 50689 1 138 176 ALA . 50689 1 139 177 LEU . 50689 1 140 178 PHE . 50689 1 141 179 ASN . 50689 1 142 180 ASN . 50689 1 143 181 ASN . 50689 1 144 182 LEU . 50689 1 145 183 GLU . 50689 1 146 184 LYS . 50689 1 147 185 PHE . 50689 1 148 186 ALA . 50689 1 149 187 GLN . 50689 1 150 188 VAL . 50689 1 151 189 VAL . 50689 1 152 190 GLN . 50689 1 153 191 ASP . 50689 1 154 192 LYS . 50689 1 155 193 LYS . 50689 1 156 194 VAL . 50689 1 157 195 PHE . 50689 1 158 196 VAL . 50689 1 159 197 MET . 50689 1 160 198 THR . 50689 1 161 199 GLU . 50689 1 162 200 GLU . 50689 1 163 201 LYS . 50689 1 164 202 GLU . 50689 1 165 203 LYS . 50689 1 166 204 ILE . 50689 1 167 205 ARG . 50689 1 168 206 ALA . 50689 1 169 207 LYS . 50689 1 170 208 LYS . 50689 1 171 209 ASP . 50689 1 172 210 GLN . 50689 1 173 211 ILE . 50689 1 174 212 ALA . 50689 1 175 213 SER . 50689 1 176 214 LEU . 50689 1 177 215 LEU . 50689 1 178 216 ALA . 50689 1 179 217 ASP . 50689 1 180 218 LEU . 50689 1 181 219 PHE . 50689 1 182 220 THR . 50689 1 183 221 TRP . 50689 1 184 222 LYS . 50689 1 185 223 LEU . 50689 1 186 224 ALA . 50689 1 187 225 TRP . 50689 1 188 226 THR . 50689 1 189 227 ASN . 50689 1 190 228 SER . 50689 1 191 229 ASP . 50689 1 192 230 THR . 50689 1 193 231 ASN . 50689 1 194 232 THR . 50689 1 195 233 TYR . 50689 1 196 234 LEU . 50689 1 197 235 SER . 50689 1 198 236 PHE . 50689 1 199 237 TYR . 50689 1 200 238 ASP . 50689 1 201 239 GLU . 50689 1 202 240 GLN . 50689 1 203 241 GLU . 50689 1 204 242 PHE . 50689 1 205 243 LYS . 50689 1 206 244 ARG . 50689 1 207 245 PHE . 50689 1 208 246 ASP . 50689 1 209 247 LYS . 50689 1 210 248 MET . 50689 1 211 249 LYS . 50689 1 212 250 PHE . 50689 1 213 251 GLU . 50689 1 214 252 GLN . 50689 1 215 253 PHE . 50689 1 216 254 ALA . 50689 1 217 255 SER . 50689 1 218 256 MET . 50689 1 219 257 LYS . 50689 1 220 258 LYS . 50689 1 221 259 SER . 50689 1 222 260 ILE . 50689 1 223 261 PHE . 50689 1 224 262 SER . 50689 1 225 263 ARG . 50689 1 226 264 LYS . 50689 1 227 265 GLU . 50689 1 228 266 ASP . 50689 1 229 267 LYS . 50689 1 230 268 LYS . 50689 1 231 269 ILE . 50689 1 232 270 LYS . 50689 1 233 271 PHE . 50689 1 234 272 SER . 50689 1 235 273 ASP . 50689 1 236 274 ILE . 50689 1 237 275 ASN . 50689 1 238 276 ILE . 50689 1 239 277 SER . 50689 1 240 278 PRO . 50689 1 241 279 TYR . 50689 1 242 280 PRO . 50689 1 243 281 ASN . 50689 1 244 282 LEU . 50689 1 245 283 GLU . 50689 1 246 284 ASN . 50689 1 247 285 GLU . 50689 1 248 286 THR . 50689 1 249 287 MET . 50689 1 250 288 TYR . 50689 1 251 289 ARG . 50689 1 252 290 ILE . 50689 1 253 291 SER . 50689 1 254 292 PHE . 50689 1 255 293 TYR . 50689 1 256 294 GLU . 50689 1 257 295 ASP . 50689 1 258 296 TYR . 50689 1 259 297 TYR . 50689 1 260 298 THR . 50689 1 261 299 LYS . 50689 1 262 300 ASN . 50689 1 263 301 TYR . 50689 1 264 302 GLN . 50689 1 265 303 PHE . 50689 1 266 304 ARG . 50689 1 267 305 GLY . 50689 1 268 306 ASP . 50689 1 269 307 LYS . 50689 1 270 308 ILE . 50689 1 271 309 LEU . 50689 1 272 310 TYR . 50689 1 273 311 VAL . 50689 1 274 312 LYS . 50689 1 275 313 ILE . 50689 1 276 314 ASP . 50689 1 277 315 SER . 50689 1 278 316 LYS . 50689 1 279 317 GLY . 50689 1 280 318 LYS . 50689 1 281 319 MET . 50689 1 282 320 LYS . 50689 1 283 321 ILE . 50689 1 284 322 LEU . 50689 1 285 323 ALA . 50689 1 286 324 GLU . 50689 1 287 325 GLN . 50689 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50689 1 . SER 2 2 50689 1 . HIS 3 3 50689 1 . MET 4 4 50689 1 . GLN 5 5 50689 1 . LYS 6 6 50689 1 . ASP 7 7 50689 1 . PHE 8 8 50689 1 . TRP 9 9 50689 1 . LEU 10 10 50689 1 . SER 11 11 50689 1 . GLU 12 12 50689 1 . ILE 13 13 50689 1 . GLY 14 14 50689 1 . ASP 15 15 50689 1 . LYS 16 16 50689 1 . ASN 17 17 50689 1 . ILE 18 18 50689 1 . SER 19 19 50689 1 . LEU 20 20 50689 1 . GLY 21 21 50689 1 . TYR 22 22 50689 1 . TYR 23 23 50689 1 . ASP 24 24 50689 1 . ASP 25 25 50689 1 . ASN 26 26 50689 1 . VAL 27 27 50689 1 . ALA 28 28 50689 1 . ILE 29 29 50689 1 . VAL 30 30 50689 1 . LEU 31 31 50689 1 . THR 32 32 50689 1 . ASN 33 33 50689 1 . LYS 34 34 50689 1 . THR 35 35 50689 1 . ASP 36 36 50689 1 . LYS 37 37 50689 1 . ILE 38 38 50689 1 . LEU 39 39 50689 1 . ARG 40 40 50689 1 . VAL 41 41 50689 1 . TYR 42 42 50689 1 . SER 43 43 50689 1 . TYR 44 44 50689 1 . GLU 45 45 50689 1 . ASP 46 46 50689 1 . GLY 47 47 50689 1 . LYS 48 48 50689 1 . ILE 49 49 50689 1 . ARG 50 50 50689 1 . LYS 51 51 50689 1 . ASP 52 52 50689 1 . PHE 53 53 50689 1 . GLU 54 54 50689 1 . GLN 55 55 50689 1 . LYS 56 56 50689 1 . GLU 57 57 50689 1 . ILE 58 58 50689 1 . ILE 59 59 50689 1 . THR 60 60 50689 1 . GLY 61 61 50689 1 . LEU 62 62 50689 1 . MET 63 63 50689 1 . GLY 64 64 50689 1 . ASP 65 65 50689 1 . LYS 66 66 50689 1 . LYS 67 67 50689 1 . ILE 68 68 50689 1 . GLU 69 69 50689 1 . GLY 70 70 50689 1 . ASP 71 71 50689 1 . LEU 72 72 50689 1 . LYS 73 73 50689 1 . THR 74 74 50689 1 . PRO 75 75 50689 1 . VAL 76 76 50689 1 . GLY 77 77 50689 1 . PHE 78 78 50689 1 . TYR 79 79 50689 1 . GLU 80 80 50689 1 . LEU 81 81 50689 1 . GLY 82 82 50689 1 . ARG 83 83 50689 1 . LYS 84 84 50689 1 . PHE 85 85 50689 1 . ASN 86 86 50689 1 . PRO 87 87 50689 1 . GLY 88 88 50689 1 . ASP 89 89 50689 1 . PRO 90 90 50689 1 . TYR 91 91 50689 1 . TYR 92 92 50689 1 . GLY 93 93 50689 1 . PRO 94 94 50689 1 . PHE 95 95 50689 1 . ALA 96 96 50689 1 . PHE 97 97 50689 1 . ALA 98 98 50689 1 . THR 99 99 50689 1 . THR 100 100 50689 1 . TYR 101 101 50689 1 . PRO 102 102 50689 1 . ASN 103 103 50689 1 . LEU 104 104 50689 1 . LEU 105 105 50689 1 . ASP 106 106 50689 1 . LYS 107 107 50689 1 . VAL 108 108 50689 1 . GLN 109 109 50689 1 . GLY 110 110 50689 1 . LYS 111 111 50689 1 . THR 112 112 50689 1 . GLY 113 113 50689 1 . GLY 114 114 50689 1 . GLY 115 115 50689 1 . ILE 116 116 50689 1 . TRP 117 117 50689 1 . ILE 118 118 50689 1 . HIS 119 119 50689 1 . GLY 120 120 50689 1 . TYR 121 121 50689 1 . PRO 122 122 50689 1 . LEU 123 123 50689 1 . ASP 124 124 50689 1 . GLY 125 125 50689 1 . SER 126 126 50689 1 . ARG 127 127 50689 1 . LEU 128 128 50689 1 . ASP 129 129 50689 1 . GLU 130 130 50689 1 . PHE 131 131 50689 1 . LYS 132 132 50689 1 . THR 133 133 50689 1 . ARG 134 134 50689 1 . GLY 135 135 50689 1 . CYS 136 136 50689 1 . ILE 137 137 50689 1 . ALA 138 138 50689 1 . LEU 139 139 50689 1 . PHE 140 140 50689 1 . ASN 141 141 50689 1 . ASN 142 142 50689 1 . ASN 143 143 50689 1 . LEU 144 144 50689 1 . GLU 145 145 50689 1 . LYS 146 146 50689 1 . PHE 147 147 50689 1 . ALA 148 148 50689 1 . GLN 149 149 50689 1 . VAL 150 150 50689 1 . VAL 151 151 50689 1 . GLN 152 152 50689 1 . ASP 153 153 50689 1 . LYS 154 154 50689 1 . LYS 155 155 50689 1 . VAL 156 156 50689 1 . PHE 157 157 50689 1 . VAL 158 158 50689 1 . MET 159 159 50689 1 . THR 160 160 50689 1 . GLU 161 161 50689 1 . GLU 162 162 50689 1 . LYS 163 163 50689 1 . GLU 164 164 50689 1 . LYS 165 165 50689 1 . ILE 166 166 50689 1 . ARG 167 167 50689 1 . ALA 168 168 50689 1 . LYS 169 169 50689 1 . LYS 170 170 50689 1 . ASP 171 171 50689 1 . GLN 172 172 50689 1 . ILE 173 173 50689 1 . ALA 174 174 50689 1 . SER 175 175 50689 1 . LEU 176 176 50689 1 . LEU 177 177 50689 1 . ALA 178 178 50689 1 . ASP 179 179 50689 1 . LEU 180 180 50689 1 . PHE 181 181 50689 1 . THR 182 182 50689 1 . TRP 183 183 50689 1 . LYS 184 184 50689 1 . LEU 185 185 50689 1 . ALA 186 186 50689 1 . TRP 187 187 50689 1 . THR 188 188 50689 1 . ASN 189 189 50689 1 . SER 190 190 50689 1 . ASP 191 191 50689 1 . THR 192 192 50689 1 . ASN 193 193 50689 1 . THR 194 194 50689 1 . TYR 195 195 50689 1 . LEU 196 196 50689 1 . SER 197 197 50689 1 . PHE 198 198 50689 1 . TYR 199 199 50689 1 . ASP 200 200 50689 1 . GLU 201 201 50689 1 . GLN 202 202 50689 1 . GLU 203 203 50689 1 . PHE 204 204 50689 1 . LYS 205 205 50689 1 . ARG 206 206 50689 1 . PHE 207 207 50689 1 . ASP 208 208 50689 1 . LYS 209 209 50689 1 . MET 210 210 50689 1 . LYS 211 211 50689 1 . PHE 212 212 50689 1 . GLU 213 213 50689 1 . GLN 214 214 50689 1 . PHE 215 215 50689 1 . ALA 216 216 50689 1 . SER 217 217 50689 1 . MET 218 218 50689 1 . LYS 219 219 50689 1 . LYS 220 220 50689 1 . SER 221 221 50689 1 . ILE 222 222 50689 1 . PHE 223 223 50689 1 . SER 224 224 50689 1 . ARG 225 225 50689 1 . LYS 226 226 50689 1 . GLU 227 227 50689 1 . ASP 228 228 50689 1 . LYS 229 229 50689 1 . LYS 230 230 50689 1 . ILE 231 231 50689 1 . LYS 232 232 50689 1 . PHE 233 233 50689 1 . SER 234 234 50689 1 . ASP 235 235 50689 1 . ILE 236 236 50689 1 . ASN 237 237 50689 1 . ILE 238 238 50689 1 . SER 239 239 50689 1 . PRO 240 240 50689 1 . TYR 241 241 50689 1 . PRO 242 242 50689 1 . ASN 243 243 50689 1 . LEU 244 244 50689 1 . GLU 245 245 50689 1 . ASN 246 246 50689 1 . GLU 247 247 50689 1 . THR 248 248 50689 1 . MET 249 249 50689 1 . TYR 250 250 50689 1 . ARG 251 251 50689 1 . ILE 252 252 50689 1 . SER 253 253 50689 1 . PHE 254 254 50689 1 . TYR 255 255 50689 1 . GLU 256 256 50689 1 . ASP 257 257 50689 1 . TYR 258 258 50689 1 . TYR 259 259 50689 1 . THR 260 260 50689 1 . LYS 261 261 50689 1 . ASN 262 262 50689 1 . TYR 263 263 50689 1 . GLN 264 264 50689 1 . PHE 265 265 50689 1 . ARG 266 266 50689 1 . GLY 267 267 50689 1 . ASP 268 268 50689 1 . LYS 269 269 50689 1 . ILE 270 270 50689 1 . LEU 271 271 50689 1 . TYR 272 272 50689 1 . VAL 273 273 50689 1 . LYS 274 274 50689 1 . ILE 275 275 50689 1 . ASP 276 276 50689 1 . SER 277 277 50689 1 . LYS 278 278 50689 1 . GLY 279 279 50689 1 . LYS 280 280 50689 1 . MET 281 281 50689 1 . LYS 282 282 50689 1 . ILE 283 283 50689 1 . LEU 284 284 50689 1 . ALA 285 285 50689 1 . GLU 286 286 50689 1 . GLN 287 287 50689 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 50689 _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 . 197 organism . 'Campylobacter jejuni' 'Campylobacter jejuni' . . Bacteria . Campylobacter jejuni 81-176 . . . . . . . . . . cjj81176_0915 . 50689 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 50689 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (lDE3)' . . plasmid . . pET15 . . . 50689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50689 _Sample.ID 1 _Sample.Name '2H-13C-15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O / 5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Pgp2 '[U-13C; U-15N; U-2H with amide-1H]' . . 1 $entity_1 . . 350 . . uM . . . . 50689 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 50689 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50689 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50689 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 50689 1 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 50689 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 50689 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temp condition' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 50689 1 temperature 298 . K 50689 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50689 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50689 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50689 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50689 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50689 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.413 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50689 3 'data analysis' . 50689 3 'peak picking' . 50689 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50689 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50689 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50689 _Experiment_list.ID 1 _Experiment_list.Details 'BEST-TROSY experiment' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50689 1 2 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50689 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50689 1 4 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50689 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50689 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 50689 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '2H-13C-15N Pgp2 chemical shift reference' _Chem_shift_reference.Details ; The amide 1HN and 15N chemical shifts were not corrected for the TROSY offset. The 13C shifts were not corrected for the 2H isotope effect. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'nethyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50689 1 H 1 DSS 'nethyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50689 1 N 15 DSS 'nethyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50689 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 50689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '2H-13C-15N Pgp2' _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 ; TROSY offset: amide protons; amide nitrogens. 2H isotope effect: all 13C. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50689 1 2 '3D CBCANH' . . . 50689 1 3 '3D CBCA(CO)NH' . . . 50689 1 4 '3D HNCACO' . . . 50689 1 5 '3D HNCO' . . . 50689 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 3 $software_3 . . 50689 1 4 $software_4 . . 50689 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 HIS C C 13 174.983 . . . . . . . . 41 H C . 50689 1 2 . 1 . 1 3 3 HIS CA C 13 56.689 . . . . . . . . 41 H CA . 50689 1 3 . 1 . 1 3 3 HIS CB C 13 28.661 . . . . . . . . 41 H CB . 50689 1 4 . 1 . 1 4 4 MET H H 1 7.732 . . . . . . . . 42 M H . 50689 1 5 . 1 . 1 4 4 MET C C 13 174.426 . . . . . . . . 42 M C . 50689 1 6 . 1 . 1 4 4 MET CA C 13 56.107 . . . . . . . . 42 M CA . 50689 1 7 . 1 . 1 4 4 MET CB C 13 31.981 . . . . . . . . 42 M CB . 50689 1 8 . 1 . 1 4 4 MET N N 15 116.502 . . . . . . . . 42 M N . 50689 1 9 . 1 . 1 5 5 GLN H H 1 7.752 . . . . . . . . 43 Q H . 50689 1 10 . 1 . 1 5 5 GLN C C 13 176.465 . . . . . . . . 43 Q C . 50689 1 11 . 1 . 1 5 5 GLN CA C 13 53.874 . . . . . . . . 43 Q CA . 50689 1 12 . 1 . 1 5 5 GLN CB C 13 29.120 . . . . . . . . 43 Q CB . 50689 1 13 . 1 . 1 5 5 GLN N N 15 118.237 . . . . . . . . 43 Q N . 50689 1 14 . 1 . 1 6 6 LYS H H 1 9.091 . . . . . . . . 44 K H . 50689 1 15 . 1 . 1 6 6 LYS C C 13 178.061 . . . . . . . . 44 K C . 50689 1 16 . 1 . 1 6 6 LYS CA C 13 59.874 . . . . . . . . 44 K CA . 50689 1 17 . 1 . 1 6 6 LYS CB C 13 31.578 . . . . . . . . 44 K CB . 50689 1 18 . 1 . 1 6 6 LYS N N 15 126.725 . . . . . . . . 44 K N . 50689 1 19 . 1 . 1 7 7 ASP H H 1 8.787 . . . . . . . . 45 D H . 50689 1 20 . 1 . 1 7 7 ASP C C 13 178.759 . . . . . . . . 45 D C . 50689 1 21 . 1 . 1 7 7 ASP CA C 13 56.943 . . . . . . . . 45 D CA . 50689 1 22 . 1 . 1 7 7 ASP CB C 13 39.418 . . . . . . . . 45 D CB . 50689 1 23 . 1 . 1 7 7 ASP N N 15 116.006 . . . . . . . . 45 D N . 50689 1 24 . 1 . 1 8 8 PHE H H 1 7.179 . . . . . . . . 46 F H . 50689 1 25 . 1 . 1 8 8 PHE C C 13 177.532 . . . . . . . . 46 F C . 50689 1 26 . 1 . 1 8 8 PHE CA C 13 60.443 . . . . . . . . 46 F CA . 50689 1 27 . 1 . 1 8 8 PHE CB C 13 38.225 . . . . . . . . 46 F CB . 50689 1 28 . 1 . 1 8 8 PHE N N 15 121.493 . . . . . . . . 46 F N . 50689 1 29 . 1 . 1 9 9 TRP H H 1 6.952 . . . . . . . . 47 W H . 50689 1 30 . 1 . 1 9 9 TRP C C 13 178.548 . . . . . . . . 47 W C . 50689 1 31 . 1 . 1 9 9 TRP CA C 13 58.834 . . . . . . . . 47 W CA . 50689 1 32 . 1 . 1 9 9 TRP CB C 13 29.342 . . . . . . . . 47 W CB . 50689 1 33 . 1 . 1 9 9 TRP N N 15 120.977 . . . . . . . . 47 W N . 50689 1 34 . 1 . 1 10 10 LEU H H 1 8.539 . . . . . . . . 48 L H . 50689 1 35 . 1 . 1 10 10 LEU C C 13 179.920 . . . . . . . . 48 L C . 50689 1 36 . 1 . 1 10 10 LEU CA C 13 58.094 . . . . . . . . 48 L CA . 50689 1 37 . 1 . 1 10 10 LEU CB C 13 40.366 . . . . . . . . 48 L CB . 50689 1 38 . 1 . 1 10 10 LEU N N 15 120.009 . . . . . . . . 48 L N . 50689 1 39 . 1 . 1 11 11 SER H H 1 7.278 . . . . . . . . 49 S H . 50689 1 40 . 1 . 1 11 11 SER C C 13 176.149 . . . . . . . . 49 S C . 50689 1 41 . 1 . 1 11 11 SER CA C 13 60.542 . . . . . . . . 49 S CA . 50689 1 42 . 1 . 1 11 11 SER CB C 13 61.893 . . . . . . . . 49 S CB . 50689 1 43 . 1 . 1 11 11 SER N N 15 114.662 . . . . . . . . 49 S N . 50689 1 44 . 1 . 1 12 12 GLU H H 1 7.590 . . . . . . . . 50 E H . 50689 1 45 . 1 . 1 12 12 GLU C C 13 178.926 . . . . . . . . 50 E C . 50689 1 46 . 1 . 1 12 12 GLU CA C 13 57.938 . . . . . . . . 50 E CA . 50689 1 47 . 1 . 1 12 12 GLU CB C 13 29.074 . . . . . . . . 50 E CB . 50689 1 48 . 1 . 1 12 12 GLU N N 15 122.614 . . . . . . . . 50 E N . 50689 1 49 . 1 . 1 13 13 ILE H H 1 8.376 . . . . . . . . 51 I H . 50689 1 50 . 1 . 1 13 13 ILE C C 13 177.494 . . . . . . . . 51 I C . 50689 1 51 . 1 . 1 13 13 ILE CA C 13 64.386 . . . . . . . . 51 I CA . 50689 1 52 . 1 . 1 13 13 ILE CB C 13 38.319 . . . . . . . . 51 I CB . 50689 1 53 . 1 . 1 13 13 ILE N N 15 119.445 . . . . . . . . 51 I N . 50689 1 54 . 1 . 1 14 14 GLY H H 1 7.424 . . . . . . . . 52 G H . 50689 1 55 . 1 . 1 14 14 GLY C C 13 175.553 . . . . . . . . 52 G C . 50689 1 56 . 1 . 1 14 14 GLY CA C 13 46.910 . . . . . . . . 52 G CA . 50689 1 57 . 1 . 1 14 14 GLY N N 15 105.022 . . . . . . . . 52 G N . 50689 1 58 . 1 . 1 15 15 ASP H H 1 8.808 . . . . . . . . 53 D H . 50689 1 59 . 1 . 1 15 15 ASP C C 13 176.515 . . . . . . . . 53 D C . 50689 1 60 . 1 . 1 15 15 ASP CA C 13 53.277 . . . . . . . . 53 D CA . 50689 1 61 . 1 . 1 15 15 ASP CB C 13 40.117 . . . . . . . . 53 D CB . 50689 1 62 . 1 . 1 15 15 ASP N N 15 127.028 . . . . . . . . 53 D N . 50689 1 63 . 1 . 1 16 16 LYS H H 1 7.981 . . . . . . . . 54 K H . 50689 1 64 . 1 . 1 16 16 LYS C C 13 175.421 . . . . . . . . 54 K C . 50689 1 65 . 1 . 1 16 16 LYS CA C 13 57.937 . . . . . . . . 54 K CA . 50689 1 66 . 1 . 1 16 16 LYS CB C 13 33.140 . . . . . . . . 54 K CB . 50689 1 67 . 1 . 1 16 16 LYS N N 15 121.114 . . . . . . . . 54 K N . 50689 1 68 . 1 . 1 17 17 ASN H H 1 9.202 . . . . . . . . 55 N H . 50689 1 69 . 1 . 1 17 17 ASN C C 13 175.593 . . . . . . . . 55 N C . 50689 1 70 . 1 . 1 17 17 ASN CA C 13 52.100 . . . . . . . . 55 N CA . 50689 1 71 . 1 . 1 17 17 ASN CB C 13 36.566 . . . . . . . . 55 N CB . 50689 1 72 . 1 . 1 17 17 ASN N N 15 120.546 . . . . . . . . 55 N N . 50689 1 73 . 1 . 1 18 18 ILE H H 1 7.673 . . . . . . . . 56 I H . 50689 1 74 . 1 . 1 18 18 ILE C C 13 178.933 . . . . . . . . 56 I C . 50689 1 75 . 1 . 1 18 18 ILE CA C 13 57.598 . . . . . . . . 56 I CA . 50689 1 76 . 1 . 1 18 18 ILE CB C 13 35.124 . . . . . . . . 56 I CB . 50689 1 77 . 1 . 1 18 18 ILE N N 15 115.234 . . . . . . . . 56 I N . 50689 1 78 . 1 . 1 19 19 SER H H 1 8.212 . . . . . . . . 57 S H . 50689 1 79 . 1 . 1 19 19 SER C C 13 175.621 . . . . . . . . 57 S C . 50689 1 80 . 1 . 1 19 19 SER CA C 13 62.439 . . . . . . . . 57 S CA . 50689 1 81 . 1 . 1 19 19 SER N N 15 115.865 . . . . . . . . 57 S N . 50689 1 82 . 1 . 1 20 20 LEU H H 1 8.868 . . . . . . . . 58 L H . 50689 1 83 . 1 . 1 20 20 LEU C C 13 175.613 . . . . . . . . 58 L C . 50689 1 84 . 1 . 1 20 20 LEU CA C 13 53.186 . . . . . . . . 58 L CA . 50689 1 85 . 1 . 1 20 20 LEU CB C 13 40.274 . . . . . . . . 58 L CB . 50689 1 86 . 1 . 1 20 20 LEU N N 15 121.497 . . . . . . . . 58 L N . 50689 1 87 . 1 . 1 21 21 GLY H H 1 8.244 . . . . . . . . 59 G H . 50689 1 88 . 1 . 1 21 21 GLY C C 13 170.598 . . . . . . . . 59 G C . 50689 1 89 . 1 . 1 21 21 GLY CA C 13 44.323 . . . . . . . . 59 G CA . 50689 1 90 . 1 . 1 21 21 GLY N N 15 109.782 . . . . . . . . 59 G N . 50689 1 91 . 1 . 1 22 22 TYR H H 1 8.104 . . . . . . . . 60 Y H . 50689 1 92 . 1 . 1 22 22 TYR C C 13 172.232 . . . . . . . . 60 Y C . 50689 1 93 . 1 . 1 22 22 TYR CA C 13 55.123 . . . . . . . . 60 Y CA . 50689 1 94 . 1 . 1 22 22 TYR CB C 13 41.776 . . . . . . . . 60 Y CB . 50689 1 95 . 1 . 1 22 22 TYR N N 15 118.432 . . . . . . . . 60 Y N . 50689 1 96 . 1 . 1 23 23 TYR C C 13 175.308 . . . . . . . . 61 Y C . 50689 1 97 . 1 . 1 23 23 TYR CA C 13 56.114 . . . . . . . . 61 Y CA . 50689 1 98 . 1 . 1 23 23 TYR CB C 13 40.575 . . . . . . . . 61 Y CB . 50689 1 99 . 1 . 1 24 24 ASP H H 1 8.107 . . . . . . . . 62 D H . 50689 1 100 . 1 . 1 24 24 ASP C C 13 175.850 . . . . . . . . 62 D C . 50689 1 101 . 1 . 1 24 24 ASP CA C 13 55.238 . . . . . . . . 62 D CA . 50689 1 102 . 1 . 1 24 24 ASP CB C 13 41.532 . . . . . . . . 62 D CB . 50689 1 103 . 1 . 1 24 24 ASP N N 15 123.269 . . . . . . . . 62 D N . 50689 1 104 . 1 . 1 25 25 ASP H H 1 8.043 . . . . . . . . 63 D H . 50689 1 105 . 1 . 1 25 25 ASP C C 13 174.589 . . . . . . . . 63 D C . 50689 1 106 . 1 . 1 25 25 ASP CA C 13 51.767 . . . . . . . . 63 D CA . 50689 1 107 . 1 . 1 25 25 ASP CB C 13 42.241 . . . . . . . . 63 D CB . 50689 1 108 . 1 . 1 25 25 ASP N N 15 117.667 . . . . . . . . 63 D N . 50689 1 109 . 1 . 1 26 26 ASN H H 1 8.590 . . . . . . . . 64 N H . 50689 1 110 . 1 . 1 26 26 ASN C C 13 176.383 . . . . . . . . 64 N C . 50689 1 111 . 1 . 1 26 26 ASN CA C 13 53.112 . . . . . . . . 64 N CA . 50689 1 112 . 1 . 1 26 26 ASN CB C 13 37.496 . . . . . . . . 64 N CB . 50689 1 113 . 1 . 1 26 26 ASN N N 15 118.498 . . . . . . . . 64 N N . 50689 1 114 . 1 . 1 27 27 VAL H H 1 7.956 . . . . . . . . 65 V H . 50689 1 115 . 1 . 1 27 27 VAL C C 13 174.191 . . . . . . . . 65 V C . 50689 1 116 . 1 . 1 27 27 VAL CA C 13 59.102 . . . . . . . . 65 V CA . 50689 1 117 . 1 . 1 27 27 VAL CB C 13 35.470 . . . . . . . . 65 V CB . 50689 1 118 . 1 . 1 27 27 VAL N N 15 115.915 . . . . . . . . 65 V N . 50689 1 119 . 1 . 1 28 28 ALA H H 1 8.714 . . . . . . . . 66 A H . 50689 1 120 . 1 . 1 28 28 ALA C C 13 175.239 . . . . . . . . 66 A C . 50689 1 121 . 1 . 1 28 28 ALA CA C 13 49.746 . . . . . . . . 66 A CA . 50689 1 122 . 1 . 1 28 28 ALA CB C 13 20.406 . . . . . . . . 66 A CB . 50689 1 123 . 1 . 1 28 28 ALA N N 15 123.277 . . . . . . . . 66 A N . 50689 1 124 . 1 . 1 29 29 ILE H H 1 9.542 . . . . . . . . 67 I H . 50689 1 125 . 1 . 1 29 29 ILE C C 13 174.984 . . . . . . . . 67 I C . 50689 1 126 . 1 . 1 29 29 ILE CA C 13 60.115 . . . . . . . . 67 I CA . 50689 1 127 . 1 . 1 29 29 ILE CB C 13 40.756 . . . . . . . . 67 I CB . 50689 1 128 . 1 . 1 29 29 ILE N N 15 120.998 . . . . . . . . 67 I N . 50689 1 129 . 1 . 1 30 30 VAL H H 1 9.399 . . . . . . . . 68 V H . 50689 1 130 . 1 . 1 30 30 VAL C C 13 173.902 . . . . . . . . 68 V C . 50689 1 131 . 1 . 1 30 30 VAL CA C 13 61.231 . . . . . . . . 68 V CA . 50689 1 132 . 1 . 1 30 30 VAL CB C 13 30.208 . . . . . . . . 68 V CB . 50689 1 133 . 1 . 1 30 30 VAL N N 15 128.996 . . . . . . . . 68 V N . 50689 1 134 . 1 . 1 31 31 LEU H H 1 9.761 . . . . . . . . 69 L H . 50689 1 135 . 1 . 1 31 31 LEU C C 13 176.278 . . . . . . . . 69 L C . 50689 1 136 . 1 . 1 31 31 LEU CA C 13 53.677 . . . . . . . . 69 L CA . 50689 1 137 . 1 . 1 31 31 LEU CB C 13 44.583 . . . . . . . . 69 L CB . 50689 1 138 . 1 . 1 31 31 LEU N N 15 135.674 . . . . . . . . 69 L N . 50689 1 139 . 1 . 1 32 32 THR H H 1 9.129 . . . . . . . . 70 T H . 50689 1 140 . 1 . 1 32 32 THR C C 13 172.468 . . . . . . . . 70 T C . 50689 1 141 . 1 . 1 32 32 THR CA C 13 62.076 . . . . . . . . 70 T CA . 50689 1 142 . 1 . 1 32 32 THR CB C 13 68.977 . . . . . . . . 70 T CB . 50689 1 143 . 1 . 1 32 32 THR N N 15 128.802 . . . . . . . . 70 T N . 50689 1 144 . 1 . 1 33 33 ASN H H 1 7.881 . . . . . . . . 71 N H . 50689 1 145 . 1 . 1 33 33 ASN C C 13 175.946 . . . . . . . . 71 N C . 50689 1 146 . 1 . 1 33 33 ASN CA C 13 52.298 . . . . . . . . 71 N CA . 50689 1 147 . 1 . 1 33 33 ASN CB C 13 41.115 . . . . . . . . 71 N CB . 50689 1 148 . 1 . 1 33 33 ASN N N 15 123.816 . . . . . . . . 71 N N . 50689 1 149 . 1 . 1 34 34 LYS H H 1 8.575 . . . . . . . . 72 K H . 50689 1 150 . 1 . 1 34 34 LYS C C 13 176.214 . . . . . . . . 72 K C . 50689 1 151 . 1 . 1 34 34 LYS CA C 13 59.626 . . . . . . . . 72 K CA . 50689 1 152 . 1 . 1 34 34 LYS CB C 13 31.361 . . . . . . . . 72 K CB . 50689 1 153 . 1 . 1 34 34 LYS N N 15 125.682 . . . . . . . . 72 K N . 50689 1 154 . 1 . 1 35 35 THR H H 1 7.798 . . . . . . . . 73 T H . 50689 1 155 . 1 . 1 35 35 THR C C 13 175.777 . . . . . . . . 73 T C . 50689 1 156 . 1 . 1 35 35 THR CA C 13 66.440 . . . . . . . . 73 T CA . 50689 1 157 . 1 . 1 35 35 THR CB C 13 68.280 . . . . . . . . 73 T CB . 50689 1 158 . 1 . 1 35 35 THR N N 15 116.738 . . . . . . . . 73 T N . 50689 1 159 . 1 . 1 36 36 ASP H H 1 8.823 . . . . . . . . 74 D H . 50689 1 160 . 1 . 1 36 36 ASP C C 13 176.337 . . . . . . . . 74 D C . 50689 1 161 . 1 . 1 36 36 ASP CA C 13 55.226 . . . . . . . . 74 D CA . 50689 1 162 . 1 . 1 36 36 ASP CB C 13 39.939 . . . . . . . . 74 D CB . 50689 1 163 . 1 . 1 36 36 ASP N N 15 121.644 . . . . . . . . 74 D N . 50689 1 164 . 1 . 1 37 37 LYS H H 1 8.050 . . . . . . . . 75 K H . 50689 1 165 . 1 . 1 37 37 LYS C C 13 174.328 . . . . . . . . 75 K C . 50689 1 166 . 1 . 1 37 37 LYS CA C 13 55.184 . . . . . . . . 75 K CA . 50689 1 167 . 1 . 1 37 37 LYS CB C 13 26.898 . . . . . . . . 75 K CB . 50689 1 168 . 1 . 1 37 37 LYS N N 15 112.586 . . . . . . . . 75 K N . 50689 1 169 . 1 . 1 38 38 ILE H H 1 6.850 . . . . . . . . 76 I H . 50689 1 170 . 1 . 1 38 38 ILE C C 13 174.416 . . . . . . . . 76 I C . 50689 1 171 . 1 . 1 38 38 ILE CA C 13 59.322 . . . . . . . . 76 I CA . 50689 1 172 . 1 . 1 38 38 ILE CB C 13 41.483 . . . . . . . . 76 I CB . 50689 1 173 . 1 . 1 38 38 ILE N N 15 115.564 . . . . . . . . 76 I N . 50689 1 174 . 1 . 1 39 39 LEU H H 1 8.368 . . . . . . . . 77 L H . 50689 1 175 . 1 . 1 39 39 LEU C C 13 174.773 . . . . . . . . 77 L C . 50689 1 176 . 1 . 1 39 39 LEU CA C 13 54.471 . . . . . . . . 77 L CA . 50689 1 177 . 1 . 1 39 39 LEU CB C 13 44.536 . . . . . . . . 77 L CB . 50689 1 178 . 1 . 1 39 39 LEU N N 15 131.213 . . . . . . . . 77 L N . 50689 1 179 . 1 . 1 40 40 ARG H H 1 9.249 . . . . . . . . 78 R H . 50689 1 180 . 1 . 1 40 40 ARG C C 13 175.044 . . . . . . . . 78 R C . 50689 1 181 . 1 . 1 40 40 ARG CA C 13 53.959 . . . . . . . . 78 R CA . 50689 1 182 . 1 . 1 40 40 ARG CB C 13 35.757 . . . . . . . . 78 R CB . 50689 1 183 . 1 . 1 40 40 ARG N N 15 125.959 . . . . . . . . 78 R N . 50689 1 184 . 1 . 1 41 41 VAL H H 1 8.428 . . . . . . . . 79 V H . 50689 1 185 . 1 . 1 41 41 VAL C C 13 174.981 . . . . . . . . 79 V C . 50689 1 186 . 1 . 1 41 41 VAL CA C 13 60.932 . . . . . . . . 79 V CA . 50689 1 187 . 1 . 1 41 41 VAL CB C 13 32.808 . . . . . . . . 79 V CB . 50689 1 188 . 1 . 1 41 41 VAL N N 15 118.721 . . . . . . . . 79 V N . 50689 1 189 . 1 . 1 42 42 TYR H H 1 9.400 . . . . . . . . 80 Y H . 50689 1 190 . 1 . 1 42 42 TYR C C 13 175.524 . . . . . . . . 80 Y C . 50689 1 191 . 1 . 1 42 42 TYR CA C 13 55.968 . . . . . . . . 80 Y CA . 50689 1 192 . 1 . 1 42 42 TYR CB C 13 40.950 . . . . . . . . 80 Y CB . 50689 1 193 . 1 . 1 42 42 TYR N N 15 126.530 . . . . . . . . 80 Y N . 50689 1 194 . 1 . 1 43 43 SER H H 1 9.372 . . . . . . . . 81 S H . 50689 1 195 . 1 . 1 43 43 SER C C 13 173.183 . . . . . . . . 81 S C . 50689 1 196 . 1 . 1 43 43 SER CA C 13 57.702 . . . . . . . . 81 S CA . 50689 1 197 . 1 . 1 43 43 SER CB C 13 63.604 . . . . . . . . 81 S CB . 50689 1 198 . 1 . 1 43 43 SER N N 15 118.500 . . . . . . . . 81 S N . 50689 1 199 . 1 . 1 44 44 TYR H H 1 9.006 . . . . . . . . 82 Y H . 50689 1 200 . 1 . 1 44 44 TYR C C 13 174.822 . . . . . . . . 82 Y C . 50689 1 201 . 1 . 1 44 44 TYR CA C 13 56.651 . . . . . . . . 82 Y CA . 50689 1 202 . 1 . 1 44 44 TYR CB C 13 39.442 . . . . . . . . 82 Y CB . 50689 1 203 . 1 . 1 44 44 TYR N N 15 126.701 . . . . . . . . 82 Y N . 50689 1 204 . 1 . 1 45 45 GLU H H 1 8.395 . . . . . . . . 83 E H . 50689 1 205 . 1 . 1 45 45 GLU C C 13 175.953 . . . . . . . . 83 E C . 50689 1 206 . 1 . 1 45 45 GLU CA C 13 54.025 . . . . . . . . 83 E CA . 50689 1 207 . 1 . 1 45 45 GLU CB C 13 30.401 . . . . . . . . 83 E CB . 50689 1 208 . 1 . 1 45 45 GLU N N 15 127.441 . . . . . . . . 83 E N . 50689 1 209 . 1 . 1 46 46 ASP H H 1 9.211 . . . . . . . . 84 D H . 50689 1 210 . 1 . 1 46 46 ASP C C 13 175.284 . . . . . . . . 84 D C . 50689 1 211 . 1 . 1 46 46 ASP CA C 13 54.299 . . . . . . . . 84 D CA . 50689 1 212 . 1 . 1 46 46 ASP CB C 13 39.644 . . . . . . . . 84 D CB . 50689 1 213 . 1 . 1 46 46 ASP N N 15 126.484 . . . . . . . . 84 D N . 50689 1 214 . 1 . 1 47 47 GLY C C 13 172.558 . . . . . . . . 85 G C . 50689 1 215 . 1 . 1 47 47 GLY CA C 13 44.721 . . . . . . . . 85 G CA . 50689 1 216 . 1 . 1 48 48 LYS H H 1 7.385 . . . . . . . . 86 K H . 50689 1 217 . 1 . 1 48 48 LYS C C 13 175.798 . . . . . . . . 86 K C . 50689 1 218 . 1 . 1 48 48 LYS CA C 13 54.453 . . . . . . . . 86 K CA . 50689 1 219 . 1 . 1 48 48 LYS CB C 13 32.502 . . . . . . . . 86 K CB . 50689 1 220 . 1 . 1 48 48 LYS N N 15 120.862 . . . . . . . . 86 K N . 50689 1 221 . 1 . 1 49 49 ILE H H 1 8.562 . . . . . . . . 87 I H . 50689 1 222 . 1 . 1 49 49 ILE C C 13 175.834 . . . . . . . . 87 I C . 50689 1 223 . 1 . 1 49 49 ILE CA C 13 58.356 . . . . . . . . 87 I CA . 50689 1 224 . 1 . 1 49 49 ILE CB C 13 39.232 . . . . . . . . 87 I CB . 50689 1 225 . 1 . 1 49 49 ILE N N 15 121.677 . . . . . . . . 87 I N . 50689 1 226 . 1 . 1 50 50 ARG H H 1 8.672 . . . . . . . . 88 R H . 50689 1 227 . 1 . 1 50 50 ARG C C 13 174.330 . . . . . . . . 88 R C . 50689 1 228 . 1 . 1 50 50 ARG CA C 13 54.144 . . . . . . . . 88 R CA . 50689 1 229 . 1 . 1 50 50 ARG CB C 13 33.256 . . . . . . . . 88 R CB . 50689 1 230 . 1 . 1 50 50 ARG N N 15 127.511 . . . . . . . . 88 R N . 50689 1 231 . 1 . 1 51 51 LYS H H 1 9.039 . . . . . . . . 89 K H . 50689 1 232 . 1 . 1 51 51 LYS C C 13 175.024 . . . . . . . . 89 K C . 50689 1 233 . 1 . 1 51 51 LYS CA C 13 56.235 . . . . . . . . 89 K CA . 50689 1 234 . 1 . 1 51 51 LYS CB C 13 30.829 . . . . . . . . 89 K CB . 50689 1 235 . 1 . 1 51 51 LYS N N 15 127.931 . . . . . . . . 89 K N . 50689 1 236 . 1 . 1 52 52 ASP H H 1 8.820 . . . . . . . . 90 D H . 50689 1 237 . 1 . 1 52 52 ASP C C 13 175.663 . . . . . . . . 90 D C . 50689 1 238 . 1 . 1 52 52 ASP CA C 13 54.668 . . . . . . . . 90 D CA . 50689 1 239 . 1 . 1 52 52 ASP CB C 13 43.235 . . . . . . . . 90 D CB . 50689 1 240 . 1 . 1 52 52 ASP N N 15 129.708 . . . . . . . . 90 D N . 50689 1 241 . 1 . 1 53 53 PHE H H 1 7.464 . . . . . . . . 91 F H . 50689 1 242 . 1 . 1 53 53 PHE C C 13 172.529 . . . . . . . . 91 F C . 50689 1 243 . 1 . 1 53 53 PHE CA C 13 57.474 . . . . . . . . 91 F CA . 50689 1 244 . 1 . 1 53 53 PHE CB C 13 42.304 . . . . . . . . 91 F CB . 50689 1 245 . 1 . 1 53 53 PHE N N 15 118.644 . . . . . . . . 91 F N . 50689 1 246 . 1 . 1 54 54 GLU H H 1 7.358 . . . . . . . . 92 E H . 50689 1 247 . 1 . 1 54 54 GLU C C 13 173.468 . . . . . . . . 92 E C . 50689 1 248 . 1 . 1 54 54 GLU CA C 13 55.143 . . . . . . . . 92 E CA . 50689 1 249 . 1 . 1 54 54 GLU CB C 13 33.560 . . . . . . . . 92 E CB . 50689 1 250 . 1 . 1 54 54 GLU N N 15 128.198 . . . . . . . . 92 E N . 50689 1 251 . 1 . 1 55 55 GLN H H 1 8.924 . . . . . . . . 93 Q H . 50689 1 252 . 1 . 1 55 55 GLN C C 13 173.874 . . . . . . . . 93 Q C . 50689 1 253 . 1 . 1 55 55 GLN CA C 13 56.306 . . . . . . . . 93 Q CA . 50689 1 254 . 1 . 1 55 55 GLN CB C 13 31.405 . . . . . . . . 93 Q CB . 50689 1 255 . 1 . 1 55 55 GLN N N 15 124.364 . . . . . . . . 93 Q N . 50689 1 256 . 1 . 1 56 56 LYS H H 1 8.523 . . . . . . . . 94 K H . 50689 1 257 . 1 . 1 56 56 LYS C C 13 176.046 . . . . . . . . 94 K C . 50689 1 258 . 1 . 1 56 56 LYS CA C 13 55.441 . . . . . . . . 94 K CA . 50689 1 259 . 1 . 1 56 56 LYS CB C 13 32.749 . . . . . . . . 94 K CB . 50689 1 260 . 1 . 1 56 56 LYS N N 15 126.184 . . . . . . . . 94 K N . 50689 1 261 . 1 . 1 57 57 GLU H H 1 9.113 . . . . . . . . 95 E H . 50689 1 262 . 1 . 1 57 57 GLU C C 13 176.606 . . . . . . . . 95 E C . 50689 1 263 . 1 . 1 57 57 GLU CA C 13 56.774 . . . . . . . . 95 E CA . 50689 1 264 . 1 . 1 57 57 GLU CB C 13 26.010 . . . . . . . . 95 E CB . 50689 1 265 . 1 . 1 57 57 GLU N N 15 119.236 . . . . . . . . 95 E N . 50689 1 266 . 1 . 1 58 58 ILE H H 1 7.421 . . . . . . . . 96 I H . 50689 1 267 . 1 . 1 58 58 ILE C C 13 174.737 . . . . . . . . 96 I C . 50689 1 268 . 1 . 1 58 58 ILE CA C 13 60.482 . . . . . . . . 96 I CA . 50689 1 269 . 1 . 1 58 58 ILE CB C 13 36.266 . . . . . . . . 96 I CB . 50689 1 270 . 1 . 1 58 58 ILE N N 15 110.787 . . . . . . . . 96 I N . 50689 1 271 . 1 . 1 59 59 ILE H H 1 6.991 . . . . . . . . 97 I H . 50689 1 272 . 1 . 1 59 59 ILE C C 13 175.862 . . . . . . . . 97 I C . 50689 1 273 . 1 . 1 59 59 ILE CA C 13 59.409 . . . . . . . . 97 I CA . 50689 1 274 . 1 . 1 59 59 ILE CB C 13 37.665 . . . . . . . . 97 I CB . 50689 1 275 . 1 . 1 59 59 ILE N N 15 118.619 . . . . . . . . 97 I N . 50689 1 276 . 1 . 1 60 60 THR H H 1 8.148 . . . . . . . . 98 T H . 50689 1 277 . 1 . 1 60 60 THR C C 13 173.990 . . . . . . . . 98 T C . 50689 1 278 . 1 . 1 60 60 THR CA C 13 59.995 . . . . . . . . 98 T CA . 50689 1 279 . 1 . 1 60 60 THR CB C 13 70.169 . . . . . . . . 98 T CB . 50689 1 280 . 1 . 1 60 60 THR N N 15 114.890 . . . . . . . . 98 T N . 50689 1 281 . 1 . 1 61 61 GLY H H 1 7.630 . . . . . . . . 99 G H . 50689 1 282 . 1 . 1 61 61 GLY C C 13 174.570 . . . . . . . . 99 G C . 50689 1 283 . 1 . 1 61 61 GLY CA C 13 44.324 . . . . . . . . 99 G CA . 50689 1 284 . 1 . 1 61 61 GLY N N 15 103.001 . . . . . . . . 99 G N . 50689 1 285 . 1 . 1 62 62 LEU H H 1 7.916 . . . . . . . . 100 L H . 50689 1 286 . 1 . 1 62 62 LEU C C 13 177.168 . . . . . . . . 100 L C . 50689 1 287 . 1 . 1 62 62 LEU CA C 13 54.929 . . . . . . . . 100 L CA . 50689 1 288 . 1 . 1 62 62 LEU CB C 13 41.213 . . . . . . . . 100 L CB . 50689 1 289 . 1 . 1 62 62 LEU N N 15 116.637 . . . . . . . . 100 L N . 50689 1 290 . 1 . 1 63 63 MET H H 1 7.846 . . . . . . . . 101 M H . 50689 1 291 . 1 . 1 63 63 MET C C 13 176.266 . . . . . . . . 101 M C . 50689 1 292 . 1 . 1 63 63 MET CA C 13 53.478 . . . . . . . . 101 M CA . 50689 1 293 . 1 . 1 63 63 MET CB C 13 28.765 . . . . . . . . 101 M CB . 50689 1 294 . 1 . 1 63 63 MET N N 15 115.872 . . . . . . . . 101 M N . 50689 1 295 . 1 . 1 64 64 GLY C C 13 171.554 . . . . . . . . 102 G C . 50689 1 296 . 1 . 1 64 64 GLY CA C 13 42.738 . . . . . . . . 102 G CA . 50689 1 297 . 1 . 1 65 65 ASP H H 1 7.873 . . . . . . . . 103 D H . 50689 1 298 . 1 . 1 65 65 ASP C C 13 176.545 . . . . . . . . 103 D C . 50689 1 299 . 1 . 1 65 65 ASP CA C 13 52.988 . . . . . . . . 103 D CA . 50689 1 300 . 1 . 1 65 65 ASP CB C 13 41.620 . . . . . . . . 103 D CB . 50689 1 301 . 1 . 1 65 65 ASP N N 15 115.331 . . . . . . . . 103 D N . 50689 1 302 . 1 . 1 66 66 LYS H H 1 7.794 . . . . . . . . 104 K H . 50689 1 303 . 1 . 1 66 66 LYS C C 13 174.409 . . . . . . . . 104 K C . 50689 1 304 . 1 . 1 66 66 LYS CA C 13 57.241 . . . . . . . . 104 K CA . 50689 1 305 . 1 . 1 66 66 LYS CB C 13 32.140 . . . . . . . . 104 K CB . 50689 1 306 . 1 . 1 66 66 LYS N N 15 127.068 . . . . . . . . 104 K N . 50689 1 307 . 1 . 1 67 67 LYS H H 1 9.310 . . . . . . . . 105 K H . 50689 1 308 . 1 . 1 67 67 LYS C C 13 176.371 . . . . . . . . 105 K C . 50689 1 309 . 1 . 1 67 67 LYS CA C 13 56.313 . . . . . . . . 105 K CA . 50689 1 310 . 1 . 1 67 67 LYS CB C 13 36.332 . . . . . . . . 105 K CB . 50689 1 311 . 1 . 1 67 67 LYS N N 15 122.061 . . . . . . . . 105 K N . 50689 1 312 . 1 . 1 68 68 ILE H H 1 8.086 . . . . . . . . 106 I H . 50689 1 313 . 1 . 1 68 68 ILE C C 13 176.392 . . . . . . . . 106 I C . 50689 1 314 . 1 . 1 68 68 ILE CA C 13 58.924 . . . . . . . . 106 I CA . 50689 1 315 . 1 . 1 68 68 ILE CB C 13 43.369 . . . . . . . . 106 I CB . 50689 1 316 . 1 . 1 68 68 ILE N N 15 114.014 . . . . . . . . 106 I N . 50689 1 317 . 1 . 1 69 69 GLU H H 1 7.686 . . . . . . . . 107 E H . 50689 1 318 . 1 . 1 69 69 GLU C C 13 177.727 . . . . . . . . 107 E C . 50689 1 319 . 1 . 1 69 69 GLU CA C 13 56.782 . . . . . . . . 107 E CA . 50689 1 320 . 1 . 1 69 69 GLU CB C 13 28.760 . . . . . . . . 107 E CB . 50689 1 321 . 1 . 1 69 69 GLU N N 15 123.046 . . . . . . . . 107 E N . 50689 1 322 . 1 . 1 70 70 GLY C C 13 174.589 . . . . . . . . 108 G C . 50689 1 323 . 1 . 1 70 70 GLY CA C 13 45.245 . . . . . . . . 108 G CA . 50689 1 324 . 1 . 1 71 71 ASP H H 1 7.338 . . . . . . . . 109 D H . 50689 1 325 . 1 . 1 71 71 ASP C C 13 176.594 . . . . . . . . 109 D C . 50689 1 326 . 1 . 1 71 71 ASP CA C 13 54.137 . . . . . . . . 109 D CA . 50689 1 327 . 1 . 1 71 71 ASP CB C 13 40.487 . . . . . . . . 109 D CB . 50689 1 328 . 1 . 1 71 71 ASP N N 15 117.254 . . . . . . . . 109 D N . 50689 1 329 . 1 . 1 72 72 LEU H H 1 8.018 . . . . . . . . 110 L H . 50689 1 330 . 1 . 1 72 72 LEU C C 13 177.455 . . . . . . . . 110 L C . 50689 1 331 . 1 . 1 72 72 LEU CA C 13 56.153 . . . . . . . . 110 L CA . 50689 1 332 . 1 . 1 72 72 LEU CB C 13 37.736 . . . . . . . . 110 L CB . 50689 1 333 . 1 . 1 72 72 LEU N N 15 110.771 . . . . . . . . 110 L N . 50689 1 334 . 1 . 1 73 73 LYS H H 1 7.757 . . . . . . . . 111 K H . 50689 1 335 . 1 . 1 73 73 LYS C C 13 178.503 . . . . . . . . 111 K C . 50689 1 336 . 1 . 1 73 73 LYS CA C 13 56.736 . . . . . . . . 111 K CA . 50689 1 337 . 1 . 1 73 73 LYS CB C 13 31.931 . . . . . . . . 111 K CB . 50689 1 338 . 1 . 1 73 73 LYS N N 15 121.753 . . . . . . . . 111 K N . 50689 1 339 . 1 . 1 74 74 THR H H 1 6.814 . . . . . . . . 112 T H . 50689 1 340 . 1 . 1 74 74 THR C C 13 171.780 . . . . . . . . 112 T C . 50689 1 341 . 1 . 1 74 74 THR CA C 13 59.759 . . . . . . . . 112 T CA . 50689 1 342 . 1 . 1 74 74 THR CB C 13 70.738 . . . . . . . . 112 T CB . 50689 1 343 . 1 . 1 74 74 THR N N 15 119.231 . . . . . . . . 112 T N . 50689 1 344 . 1 . 1 75 75 PRO C C 13 174.019 . . . . . . . . 113 P C . 50689 1 345 . 1 . 1 75 75 PRO CA C 13 62.777 . . . . . . . . 113 P CA . 50689 1 346 . 1 . 1 75 75 PRO CB C 13 31.752 . . . . . . . . 113 P CB . 50689 1 347 . 1 . 1 76 76 VAL H H 1 8.490 . . . . . . . . 114 V H . 50689 1 348 . 1 . 1 76 76 VAL C C 13 175.542 . . . . . . . . 114 V C . 50689 1 349 . 1 . 1 76 76 VAL CA C 13 60.346 . . . . . . . . 114 V CA . 50689 1 350 . 1 . 1 76 76 VAL CB C 13 33.013 . . . . . . . . 114 V CB . 50689 1 351 . 1 . 1 76 76 VAL N N 15 122.914 . . . . . . . . 114 V N . 50689 1 352 . 1 . 1 77 77 GLY H H 1 8.297 . . . . . . . . 115 G H . 50689 1 353 . 1 . 1 77 77 GLY C C 13 169.996 . . . . . . . . 115 G C . 50689 1 354 . 1 . 1 77 77 GLY CA C 13 44.171 . . . . . . . . 115 G CA . 50689 1 355 . 1 . 1 77 77 GLY N N 15 110.748 . . . . . . . . 115 G N . 50689 1 356 . 1 . 1 78 78 PHE C C 13 174.428 . . . . . . . . 116 F C . 50689 1 357 . 1 . 1 78 78 PHE CA C 13 56.799 . . . . . . . . 116 F CA . 50689 1 358 . 1 . 1 78 78 PHE CB C 13 44.424 . . . . . . . . 116 F CB . 50689 1 359 . 1 . 1 79 79 TYR H H 1 9.942 . . . . . . . . 117 Y H . 50689 1 360 . 1 . 1 79 79 TYR C C 13 172.744 . . . . . . . . 117 Y C . 50689 1 361 . 1 . 1 79 79 TYR CA C 13 57.866 . . . . . . . . 117 Y CA . 50689 1 362 . 1 . 1 79 79 TYR CB C 13 41.918 . . . . . . . . 117 Y CB . 50689 1 363 . 1 . 1 79 79 TYR N N 15 129.297 . . . . . . . . 117 Y N . 50689 1 364 . 1 . 1 80 80 GLU H H 1 8.650 . . . . . . . . 118 E H . 50689 1 365 . 1 . 1 80 80 GLU C C 13 174.007 . . . . . . . . 118 E C . 50689 1 366 . 1 . 1 80 80 GLU CA C 13 55.705 . . . . . . . . 118 E CA . 50689 1 367 . 1 . 1 80 80 GLU CB C 13 31.334 . . . . . . . . 118 E CB . 50689 1 368 . 1 . 1 80 80 GLU N N 15 120.373 . . . . . . . . 118 E N . 50689 1 369 . 1 . 1 81 81 LEU H H 1 7.741 . . . . . . . . 119 L H . 50689 1 370 . 1 . 1 81 81 LEU C C 13 176.856 . . . . . . . . 119 L C . 50689 1 371 . 1 . 1 81 81 LEU CA C 13 52.484 . . . . . . . . 119 L CA . 50689 1 372 . 1 . 1 81 81 LEU CB C 13 44.300 . . . . . . . . 119 L CB . 50689 1 373 . 1 . 1 81 81 LEU N N 15 122.304 . . . . . . . . 119 L N . 50689 1 374 . 1 . 1 82 82 GLY H H 1 8.747 . . . . . . . . 120 G H . 50689 1 375 . 1 . 1 82 82 GLY C C 13 173.230 . . . . . . . . 120 G C . 50689 1 376 . 1 . 1 82 82 GLY CA C 13 43.809 . . . . . . . . 120 G CA . 50689 1 377 . 1 . 1 82 82 GLY N N 15 114.681 . . . . . . . . 120 G N . 50689 1 378 . 1 . 1 83 83 ARG H H 1 8.036 . . . . . . . . 121 R H . 50689 1 379 . 1 . 1 83 83 ARG C C 13 176.743 . . . . . . . . 121 R C . 50689 1 380 . 1 . 1 83 83 ARG CA C 13 54.959 . . . . . . . . 121 R CA . 50689 1 381 . 1 . 1 83 83 ARG CB C 13 30.612 . . . . . . . . 121 R CB . 50689 1 382 . 1 . 1 83 83 ARG N N 15 115.513 . . . . . . . . 121 R N . 50689 1 383 . 1 . 1 84 84 LYS H H 1 8.109 . . . . . . . . 122 K H . 50689 1 384 . 1 . 1 84 84 LYS C C 13 175.816 . . . . . . . . 122 K C . 50689 1 385 . 1 . 1 84 84 LYS CA C 13 56.544 . . . . . . . . 122 K CA . 50689 1 386 . 1 . 1 84 84 LYS CB C 13 31.819 . . . . . . . . 122 K CB . 50689 1 387 . 1 . 1 84 84 LYS N N 15 123.304 . . . . . . . . 122 K N . 50689 1 388 . 1 . 1 85 85 PHE H H 1 8.829 . . . . . . . . 123 F H . 50689 1 389 . 1 . 1 85 85 PHE C C 13 171.391 . . . . . . . . 123 F C . 50689 1 390 . 1 . 1 85 85 PHE CA C 13 54.750 . . . . . . . . 123 F CA . 50689 1 391 . 1 . 1 85 85 PHE CB C 13 40.452 . . . . . . . . 123 F CB . 50689 1 392 . 1 . 1 85 85 PHE N N 15 124.843 . . . . . . . . 123 F N . 50689 1 393 . 1 . 1 86 86 ASN H H 1 8.575 . . . . . . . . 124 N H . 50689 1 394 . 1 . 1 86 86 ASN C C 13 174.484 . . . . . . . . 124 N C . 50689 1 395 . 1 . 1 86 86 ASN CA C 13 49.137 . . . . . . . . 124 N CA . 50689 1 396 . 1 . 1 86 86 ASN CB C 13 38.797 . . . . . . . . 124 N CB . 50689 1 397 . 1 . 1 86 86 ASN N N 15 118.340 . . . . . . . . 124 N N . 50689 1 398 . 1 . 1 87 87 PRO C C 13 177.317 . . . . . . . . 125 P C . 50689 1 399 . 1 . 1 87 87 PRO CA C 13 62.846 . . . . . . . . 125 P CA . 50689 1 400 . 1 . 1 87 87 PRO CB C 13 32.094 . . . . . . . . 125 P CB . 50689 1 401 . 1 . 1 88 88 GLY H H 1 8.430 . . . . . . . . 126 G H . 50689 1 402 . 1 . 1 88 88 GLY C C 13 173.173 . . . . . . . . 126 G C . 50689 1 403 . 1 . 1 88 88 GLY CA C 13 45.612 . . . . . . . . 126 G CA . 50689 1 404 . 1 . 1 88 88 GLY N N 15 107.138 . . . . . . . . 126 G N . 50689 1 405 . 1 . 1 89 89 ASP H H 1 6.851 . . . . . . . . 127 D H . 50689 1 406 . 1 . 1 89 89 ASP C C 13 175.557 . . . . . . . . 127 D C . 50689 1 407 . 1 . 1 89 89 ASP CA C 13 50.563 . . . . . . . . 127 D CA . 50689 1 408 . 1 . 1 89 89 ASP CB C 13 43.010 . . . . . . . . 127 D CB . 50689 1 409 . 1 . 1 89 89 ASP N N 15 118.819 . . . . . . . . 127 D N . 50689 1 410 . 1 . 1 90 90 PRO C C 13 176.845 . . . . . . . . 128 P C . 50689 1 411 . 1 . 1 90 90 PRO CA C 13 63.690 . . . . . . . . 128 P CA . 50689 1 412 . 1 . 1 90 90 PRO CB C 13 31.568 . . . . . . . . 128 P CB . 50689 1 413 . 1 . 1 91 91 TYR H H 1 8.707 . . . . . . . . 129 Y H . 50689 1 414 . 1 . 1 91 91 TYR C C 13 173.464 . . . . . . . . 129 Y C . 50689 1 415 . 1 . 1 91 91 TYR CA C 13 60.801 . . . . . . . . 129 Y CA . 50689 1 416 . 1 . 1 91 91 TYR CB C 13 38.442 . . . . . . . . 129 Y CB . 50689 1 417 . 1 . 1 91 91 TYR N N 15 125.049 . . . . . . . . 129 Y N . 50689 1 418 . 1 . 1 92 92 TYR H H 1 6.729 . . . . . . . . 130 Y H . 50689 1 419 . 1 . 1 92 92 TYR C C 13 174.267 . . . . . . . . 130 Y C . 50689 1 420 . 1 . 1 92 92 TYR CA C 13 57.693 . . . . . . . . 130 Y CA . 50689 1 421 . 1 . 1 92 92 TYR CB C 13 38.202 . . . . . . . . 130 Y CB . 50689 1 422 . 1 . 1 92 92 TYR N N 15 108.597 . . . . . . . . 130 Y N . 50689 1 423 . 1 . 1 93 93 GLY H H 1 7.206 . . . . . . . . 131 G H . 50689 1 424 . 1 . 1 93 93 GLY C C 13 172.712 . . . . . . . . 131 G C . 50689 1 425 . 1 . 1 93 93 GLY CA C 13 43.670 . . . . . . . . 131 G CA . 50689 1 426 . 1 . 1 93 93 GLY N N 15 105.370 . . . . . . . . 131 G N . 50689 1 427 . 1 . 1 94 94 PRO C C 13 175.645 . . . . . . . . 132 P C . 50689 1 428 . 1 . 1 94 94 PRO CA C 13 64.284 . . . . . . . . 132 P CA . 50689 1 429 . 1 . 1 94 94 PRO CB C 13 31.215 . . . . . . . . 132 P CB . 50689 1 430 . 1 . 1 95 95 PHE H H 1 6.781 . . . . . . . . 133 F H . 50689 1 431 . 1 . 1 95 95 PHE C C 13 170.416 . . . . . . . . 133 F C . 50689 1 432 . 1 . 1 95 95 PHE CA C 13 55.036 . . . . . . . . 133 F CA . 50689 1 433 . 1 . 1 95 95 PHE CB C 13 37.981 . . . . . . . . 133 F CB . 50689 1 434 . 1 . 1 95 95 PHE N N 15 109.091 . . . . . . . . 133 F N . 50689 1 435 . 1 . 1 96 96 ALA H H 1 7.921 . . . . . . . . 134 A H . 50689 1 436 . 1 . 1 96 96 ALA C C 13 172.867 . . . . . . . . 134 A C . 50689 1 437 . 1 . 1 96 96 ALA CA C 13 49.794 . . . . . . . . 134 A CA . 50689 1 438 . 1 . 1 96 96 ALA CB C 13 23.526 . . . . . . . . 134 A CB . 50689 1 439 . 1 . 1 96 96 ALA N N 15 115.071 . . . . . . . . 134 A N . 50689 1 440 . 1 . 1 97 97 PHE H H 1 8.633 . . . . . . . . 135 F H . 50689 1 441 . 1 . 1 97 97 PHE C C 13 175.071 . . . . . . . . 135 F C . 50689 1 442 . 1 . 1 97 97 PHE CA C 13 56.181 . . . . . . . . 135 F CA . 50689 1 443 . 1 . 1 97 97 PHE CB C 13 42.291 . . . . . . . . 135 F CB . 50689 1 444 . 1 . 1 97 97 PHE N N 15 113.158 . . . . . . . . 135 F N . 50689 1 445 . 1 . 1 98 98 ALA H H 1 10.104 . . . . . . . . 136 A H . 50689 1 446 . 1 . 1 98 98 ALA C C 13 178.645 . . . . . . . . 136 A C . 50689 1 447 . 1 . 1 98 98 ALA CA C 13 52.501 . . . . . . . . 136 A CA . 50689 1 448 . 1 . 1 98 98 ALA CB C 13 18.698 . . . . . . . . 136 A CB . 50689 1 449 . 1 . 1 98 98 ALA N N 15 126.419 . . . . . . . . 136 A N . 50689 1 450 . 1 . 1 99 99 THR H H 1 8.688 . . . . . . . . 137 T H . 50689 1 451 . 1 . 1 99 99 THR C C 13 176.843 . . . . . . . . 137 T C . 50689 1 452 . 1 . 1 99 99 THR CA C 13 60.505 . . . . . . . . 137 T CA . 50689 1 453 . 1 . 1 99 99 THR CB C 13 71.660 . . . . . . . . 137 T CB . 50689 1 454 . 1 . 1 99 99 THR N N 15 113.160 . . . . . . . . 137 T N . 50689 1 455 . 1 . 1 100 100 THR H H 1 7.811 . . . . . . . . 138 T H . 50689 1 456 . 1 . 1 100 100 THR C C 13 173.688 . . . . . . . . 138 T C . 50689 1 457 . 1 . 1 100 100 THR CA C 13 61.539 . . . . . . . . 138 T CA . 50689 1 458 . 1 . 1 100 100 THR CB C 13 67.824 . . . . . . . . 138 T CB . 50689 1 459 . 1 . 1 100 100 THR N N 15 108.312 . . . . . . . . 138 T N . 50689 1 460 . 1 . 1 101 101 TYR H H 1 6.634 . . . . . . . . 139 Y H . 50689 1 461 . 1 . 1 101 101 TYR C C 13 174.676 . . . . . . . . 139 Y C . 50689 1 462 . 1 . 1 101 101 TYR CA C 13 57.090 . . . . . . . . 139 Y CA . 50689 1 463 . 1 . 1 101 101 TYR CB C 13 37.055 . . . . . . . . 139 Y CB . 50689 1 464 . 1 . 1 101 101 TYR N N 15 119.735 . . . . . . . . 139 Y N . 50689 1 465 . 1 . 1 102 102 PRO C C 13 175.718 . . . . . . . . 140 P C . 50689 1 466 . 1 . 1 102 102 PRO CA C 13 61.240 . . . . . . . . 140 P CA . 50689 1 467 . 1 . 1 102 102 PRO CB C 13 32.446 . . . . . . . . 140 P CB . 50689 1 468 . 1 . 1 103 103 ASN H H 1 9.345 . . . . . . . . 141 N H . 50689 1 469 . 1 . 1 103 103 ASN C C 13 175.246 . . . . . . . . 141 N C . 50689 1 470 . 1 . 1 103 103 ASN CA C 13 51.165 . . . . . . . . 141 N CA . 50689 1 471 . 1 . 1 103 103 ASN CB C 13 38.907 . . . . . . . . 141 N CB . 50689 1 472 . 1 . 1 103 103 ASN N N 15 122.647 . . . . . . . . 141 N N . 50689 1 473 . 1 . 1 104 104 LEU H H 1 8.200 . . . . . . . . 142 L H . 50689 1 474 . 1 . 1 104 104 LEU C C 13 177.387 . . . . . . . . 142 L C . 50689 1 475 . 1 . 1 104 104 LEU CA C 13 58.596 . . . . . . . . 142 L CA . 50689 1 476 . 1 . 1 104 104 LEU CB C 13 41.094 . . . . . . . . 142 L CB . 50689 1 477 . 1 . 1 104 104 LEU N N 15 116.542 . . . . . . . . 142 L N . 50689 1 478 . 1 . 1 108 108 VAL C C 13 177.763 . . . . . . . . 146 V C . 50689 1 479 . 1 . 1 108 108 VAL CA C 13 64.362 . . . . . . . . 146 V CA . 50689 1 480 . 1 . 1 108 108 VAL CB C 13 30.018 . . . . . . . . 146 V CB . 50689 1 481 . 1 . 1 109 109 GLN H H 1 7.575 . . . . . . . . 147 Q H . 50689 1 482 . 1 . 1 109 109 GLN C C 13 176.606 . . . . . . . . 147 Q C . 50689 1 483 . 1 . 1 109 109 GLN CA C 13 56.025 . . . . . . . . 147 Q CA . 50689 1 484 . 1 . 1 109 109 GLN CB C 13 27.693 . . . . . . . . 147 Q CB . 50689 1 485 . 1 . 1 109 109 GLN N N 15 118.529 . . . . . . . . 147 Q N . 50689 1 486 . 1 . 1 110 110 GLY H H 1 7.860 . . . . . . . . 148 G H . 50689 1 487 . 1 . 1 110 110 GLY C C 13 174.746 . . . . . . . . 148 G C . 50689 1 488 . 1 . 1 110 110 GLY CA C 13 45.062 . . . . . . . . 148 G CA . 50689 1 489 . 1 . 1 110 110 GLY N N 15 107.951 . . . . . . . . 148 G N . 50689 1 490 . 1 . 1 111 111 LYS H H 1 8.127 . . . . . . . . 149 K H . 50689 1 491 . 1 . 1 111 111 LYS C C 13 176.896 . . . . . . . . 149 K C . 50689 1 492 . 1 . 1 111 111 LYS CA C 13 57.265 . . . . . . . . 149 K CA . 50689 1 493 . 1 . 1 111 111 LYS CB C 13 32.393 . . . . . . . . 149 K CB . 50689 1 494 . 1 . 1 111 111 LYS N N 15 120.890 . . . . . . . . 149 K N . 50689 1 495 . 1 . 1 112 112 THR H H 1 7.769 . . . . . . . . 150 T H . 50689 1 496 . 1 . 1 112 112 THR C C 13 175.018 . . . . . . . . 150 T C . 50689 1 497 . 1 . 1 112 112 THR CA C 13 58.997 . . . . . . . . 150 T CA . 50689 1 498 . 1 . 1 112 112 THR CB C 13 71.718 . . . . . . . . 150 T CB . 50689 1 499 . 1 . 1 112 112 THR N N 15 108.832 . . . . . . . . 150 T N . 50689 1 500 . 1 . 1 113 113 GLY H H 1 8.565 . . . . . . . . 151 G H . 50689 1 501 . 1 . 1 113 113 GLY C C 13 172.843 . . . . . . . . 151 G C . 50689 1 502 . 1 . 1 113 113 GLY CA C 13 43.569 . . . . . . . . 151 G CA . 50689 1 503 . 1 . 1 113 113 GLY N N 15 107.702 . . . . . . . . 151 G N . 50689 1 504 . 1 . 1 114 114 GLY H H 1 7.667 . . . . . . . . 152 G H . 50689 1 505 . 1 . 1 114 114 GLY C C 13 172.423 . . . . . . . . 152 G C . 50689 1 506 . 1 . 1 114 114 GLY CA C 13 45.057 . . . . . . . . 152 G CA . 50689 1 507 . 1 . 1 114 114 GLY N N 15 103.786 . . . . . . . . 152 G N . 50689 1 508 . 1 . 1 115 115 GLY H H 1 8.666 . . . . . . . . 153 G H . 50689 1 509 . 1 . 1 115 115 GLY C C 13 174.133 . . . . . . . . 153 G C . 50689 1 510 . 1 . 1 115 115 GLY CA C 13 46.317 . . . . . . . . 153 G CA . 50689 1 511 . 1 . 1 115 115 GLY N N 15 107.837 . . . . . . . . 153 G N . 50689 1 512 . 1 . 1 116 116 ILE H H 1 8.977 . . . . . . . . 154 I H . 50689 1 513 . 1 . 1 116 116 ILE C C 13 175.106 . . . . . . . . 154 I C . 50689 1 514 . 1 . 1 116 116 ILE CA C 13 57.805 . . . . . . . . 154 I CA . 50689 1 515 . 1 . 1 116 116 ILE CB C 13 32.349 . . . . . . . . 154 I CB . 50689 1 516 . 1 . 1 116 116 ILE N N 15 119.280 . . . . . . . . 154 I N . 50689 1 517 . 1 . 1 117 117 TRP H H 1 9.066 . . . . . . . . 155 W H . 50689 1 518 . 1 . 1 117 117 TRP C C 13 174.982 . . . . . . . . 155 W C . 50689 1 519 . 1 . 1 117 117 TRP CA C 13 52.607 . . . . . . . . 155 W CA . 50689 1 520 . 1 . 1 117 117 TRP CB C 13 33.798 . . . . . . . . 155 W CB . 50689 1 521 . 1 . 1 117 117 TRP N N 15 136.099 . . . . . . . . 155 W N . 50689 1 522 . 1 . 1 118 118 ILE H H 1 9.334 . . . . . . . . 156 I H . 50689 1 523 . 1 . 1 118 118 ILE C C 13 175.568 . . . . . . . . 156 I C . 50689 1 524 . 1 . 1 118 118 ILE CA C 13 60.527 . . . . . . . . 156 I CA . 50689 1 525 . 1 . 1 118 118 ILE CB C 13 38.802 . . . . . . . . 156 I CB . 50689 1 526 . 1 . 1 118 118 ILE N N 15 120.267 . . . . . . . . 156 I N . 50689 1 527 . 1 . 1 119 119 HIS H H 1 8.913 . . . . . . . . 157 H H . 50689 1 528 . 1 . 1 119 119 HIS C C 13 172.639 . . . . . . . . 157 H C . 50689 1 529 . 1 . 1 119 119 HIS CA C 13 54.963 . . . . . . . . 157 H CA . 50689 1 530 . 1 . 1 119 119 HIS CB C 13 29.418 . . . . . . . . 157 H CB . 50689 1 531 . 1 . 1 119 119 HIS N N 15 124.526 . . . . . . . . 157 H N . 50689 1 532 . 1 . 1 120 120 GLY H H 1 8.535 . . . . . . . . 158 G H . 50689 1 533 . 1 . 1 120 120 GLY C C 13 174.113 . . . . . . . . 158 G C . 50689 1 534 . 1 . 1 120 120 GLY CA C 13 44.555 . . . . . . . . 158 G CA . 50689 1 535 . 1 . 1 120 120 GLY N N 15 108.345 . . . . . . . . 158 G N . 50689 1 536 . 1 . 1 121 121 TYR H H 1 9.542 . . . . . . . . 159 Y H . 50689 1 537 . 1 . 1 121 121 TYR C C 13 173.871 . . . . . . . . 159 Y C . 50689 1 538 . 1 . 1 121 121 TYR CA C 13 54.798 . . . . . . . . 159 Y CA . 50689 1 539 . 1 . 1 121 121 TYR CB C 13 38.436 . . . . . . . . 159 Y CB . 50689 1 540 . 1 . 1 121 121 TYR N N 15 123.898 . . . . . . . . 159 Y N . 50689 1 541 . 1 . 1 122 122 PRO C C 13 180.752 . . . . . . . . 160 P C . 50689 1 542 . 1 . 1 122 122 PRO CA C 13 62.157 . . . . . . . . 160 P CA . 50689 1 543 . 1 . 1 122 122 PRO CB C 13 32.639 . . . . . . . . 160 P CB . 50689 1 544 . 1 . 1 123 123 LEU H H 1 7.943 . . . . . . . . 161 L H . 50689 1 545 . 1 . 1 123 123 LEU C C 13 177.667 . . . . . . . . 161 L C . 50689 1 546 . 1 . 1 123 123 LEU CA C 13 56.393 . . . . . . . . 161 L CA . 50689 1 547 . 1 . 1 123 123 LEU CB C 13 39.747 . . . . . . . . 161 L CB . 50689 1 548 . 1 . 1 123 123 LEU N N 15 125.953 . . . . . . . . 161 L N . 50689 1 549 . 1 . 1 124 124 ASP H H 1 8.178 . . . . . . . . 162 D H . 50689 1 550 . 1 . 1 124 124 ASP C C 13 177.538 . . . . . . . . 162 D C . 50689 1 551 . 1 . 1 124 124 ASP CA C 13 52.991 . . . . . . . . 162 D CA . 50689 1 552 . 1 . 1 124 124 ASP CB C 13 39.316 . . . . . . . . 162 D CB . 50689 1 553 . 1 . 1 124 124 ASP N N 15 117.327 . . . . . . . . 162 D N . 50689 1 554 . 1 . 1 125 125 GLY H H 1 7.706 . . . . . . . . 163 G H . 50689 1 555 . 1 . 1 125 125 GLY C C 13 175.104 . . . . . . . . 163 G C . 50689 1 556 . 1 . 1 125 125 GLY CA C 13 45.253 . . . . . . . . 163 G CA . 50689 1 557 . 1 . 1 125 125 GLY N N 15 107.683 . . . . . . . . 163 G N . 50689 1 558 . 1 . 1 126 126 SER H H 1 8.059 . . . . . . . . 164 S H . 50689 1 559 . 1 . 1 126 126 SER C C 13 173.256 . . . . . . . . 164 S C . 50689 1 560 . 1 . 1 126 126 SER CA C 13 59.526 . . . . . . . . 164 S CA . 50689 1 561 . 1 . 1 126 126 SER CB C 13 62.746 . . . . . . . . 164 S CB . 50689 1 562 . 1 . 1 126 126 SER N N 15 117.701 . . . . . . . . 164 S N . 50689 1 563 . 1 . 1 127 127 ARG H H 1 8.296 . . . . . . . . 165 R H . 50689 1 564 . 1 . 1 127 127 ARG C C 13 176.607 . . . . . . . . 165 R C . 50689 1 565 . 1 . 1 127 127 ARG CA C 13 55.771 . . . . . . . . 165 R CA . 50689 1 566 . 1 . 1 127 127 ARG CB C 13 30.470 . . . . . . . . 165 R CB . 50689 1 567 . 1 . 1 127 127 ARG N N 15 120.378 . . . . . . . . 165 R N . 50689 1 568 . 1 . 1 128 128 LEU H H 1 8.260 . . . . . . . . 166 L H . 50689 1 569 . 1 . 1 128 128 LEU C C 13 175.592 . . . . . . . . 166 L C . 50689 1 570 . 1 . 1 128 128 LEU CA C 13 53.536 . . . . . . . . 166 L CA . 50689 1 571 . 1 . 1 128 128 LEU CB C 13 44.841 . . . . . . . . 166 L CB . 50689 1 572 . 1 . 1 128 128 LEU N N 15 121.203 . . . . . . . . 166 L N . 50689 1 573 . 1 . 1 135 135 GLY C C 13 174.982 . . . . . . . . 173 G C . 50689 1 574 . 1 . 1 135 135 GLY CA C 13 44.074 . . . . . . . . 173 G CA . 50689 1 575 . 1 . 1 136 136 CYS H H 1 7.404 . . . . . . . . 174 C H . 50689 1 576 . 1 . 1 136 136 CYS C C 13 171.023 . . . . . . . . 174 C C . 50689 1 577 . 1 . 1 136 136 CYS CA C 13 60.350 . . . . . . . . 174 C CA . 50689 1 578 . 1 . 1 136 136 CYS CB C 13 30.295 . . . . . . . . 174 C CB . 50689 1 579 . 1 . 1 136 136 CYS N N 15 119.040 . . . . . . . . 174 C N . 50689 1 580 . 1 . 1 137 137 ILE H H 1 7.862 . . . . . . . . 175 I H . 50689 1 581 . 1 . 1 137 137 ILE C C 13 173.264 . . . . . . . . 175 I C . 50689 1 582 . 1 . 1 137 137 ILE CA C 13 59.593 . . . . . . . . 175 I CA . 50689 1 583 . 1 . 1 137 137 ILE CB C 13 40.143 . . . . . . . . 175 I CB . 50689 1 584 . 1 . 1 137 137 ILE N N 15 119.323 . . . . . . . . 175 I N . 50689 1 585 . 1 . 1 138 138 ALA H H 1 8.546 . . . . . . . . 176 A H . 50689 1 586 . 1 . 1 138 138 ALA C C 13 176.689 . . . . . . . . 176 A C . 50689 1 587 . 1 . 1 138 138 ALA CA C 13 49.272 . . . . . . . . 176 A CA . 50689 1 588 . 1 . 1 138 138 ALA CB C 13 20.776 . . . . . . . . 176 A CB . 50689 1 589 . 1 . 1 138 138 ALA N N 15 127.557 . . . . . . . . 176 A N . 50689 1 590 . 1 . 1 139 139 LEU H H 1 8.554 . . . . . . . . 177 L H . 50689 1 591 . 1 . 1 139 139 LEU C C 13 175.307 . . . . . . . . 177 L C . 50689 1 592 . 1 . 1 139 139 LEU CA C 13 52.065 . . . . . . . . 177 L CA . 50689 1 593 . 1 . 1 139 139 LEU CB C 13 43.949 . . . . . . . . 177 L CB . 50689 1 594 . 1 . 1 139 139 LEU N N 15 123.926 . . . . . . . . 177 L N . 50689 1 595 . 1 . 1 140 140 PHE H H 1 8.359 . . . . . . . . 178 F H . 50689 1 596 . 1 . 1 140 140 PHE C C 13 179.605 . . . . . . . . 178 F C . 50689 1 597 . 1 . 1 140 140 PHE CA C 13 56.522 . . . . . . . . 178 F CA . 50689 1 598 . 1 . 1 140 140 PHE CB C 13 37.472 . . . . . . . . 178 F CB . 50689 1 599 . 1 . 1 140 140 PHE N N 15 116.660 . . . . . . . . 178 F N . 50689 1 600 . 1 . 1 141 141 ASN H H 1 8.756 . . . . . . . . 179 N H . 50689 1 601 . 1 . 1 141 141 ASN C C 13 178.410 . . . . . . . . 179 N C . 50689 1 602 . 1 . 1 141 141 ASN CA C 13 56.470 . . . . . . . . 179 N CA . 50689 1 603 . 1 . 1 141 141 ASN CB C 13 36.163 . . . . . . . . 179 N CB . 50689 1 604 . 1 . 1 141 141 ASN N N 15 122.319 . . . . . . . . 179 N N . 50689 1 605 . 1 . 1 142 142 ASN H H 1 8.851 . . . . . . . . 180 N H . 50689 1 606 . 1 . 1 142 142 ASN C C 13 176.991 . . . . . . . . 180 N C . 50689 1 607 . 1 . 1 142 142 ASN CA C 13 55.188 . . . . . . . . 180 N CA . 50689 1 608 . 1 . 1 142 142 ASN CB C 13 36.079 . . . . . . . . 180 N CB . 50689 1 609 . 1 . 1 142 142 ASN N N 15 116.724 . . . . . . . . 180 N N . 50689 1 610 . 1 . 1 143 143 ASN H H 1 7.692 . . . . . . . . 181 N H . 50689 1 611 . 1 . 1 143 143 ASN C C 13 177.196 . . . . . . . . 181 N C . 50689 1 612 . 1 . 1 143 143 ASN CA C 13 53.606 . . . . . . . . 181 N CA . 50689 1 613 . 1 . 1 143 143 ASN CB C 13 38.535 . . . . . . . . 181 N CB . 50689 1 614 . 1 . 1 143 143 ASN N N 15 118.667 . . . . . . . . 181 N N . 50689 1 615 . 1 . 1 144 144 LEU H H 1 8.430 . . . . . . . . 182 L H . 50689 1 616 . 1 . 1 144 144 LEU C C 13 178.756 . . . . . . . . 182 L C . 50689 1 617 . 1 . 1 144 144 LEU CA C 13 57.636 . . . . . . . . 182 L CA . 50689 1 618 . 1 . 1 144 144 LEU CB C 13 40.929 . . . . . . . . 182 L CB . 50689 1 619 . 1 . 1 144 144 LEU N N 15 124.710 . . . . . . . . 182 L N . 50689 1 620 . 1 . 1 145 145 GLU H H 1 8.098 . . . . . . . . 183 E H . 50689 1 621 . 1 . 1 145 145 GLU C C 13 178.956 . . . . . . . . 183 E C . 50689 1 622 . 1 . 1 145 145 GLU CA C 13 59.440 . . . . . . . . 183 E CA . 50689 1 623 . 1 . 1 145 145 GLU CB C 13 28.392 . . . . . . . . 183 E CB . 50689 1 624 . 1 . 1 145 145 GLU N N 15 117.894 . . . . . . . . 183 E N . 50689 1 625 . 1 . 1 146 146 LYS H H 1 7.439 . . . . . . . . 184 K H . 50689 1 626 . 1 . 1 146 146 LYS C C 13 178.375 . . . . . . . . 184 K C . 50689 1 627 . 1 . 1 146 146 LYS CA C 13 58.575 . . . . . . . . 184 K CA . 50689 1 628 . 1 . 1 146 146 LYS CB C 13 30.973 . . . . . . . . 184 K CB . 50689 1 629 . 1 . 1 146 146 LYS N N 15 120.774 . . . . . . . . 184 K N . 50689 1 630 . 1 . 1 147 147 PHE H H 1 8.214 . . . . . . . . 185 F H . 50689 1 631 . 1 . 1 147 147 PHE C C 13 175.953 . . . . . . . . 185 F C . 50689 1 632 . 1 . 1 147 147 PHE CA C 13 60.927 . . . . . . . . 185 F CA . 50689 1 633 . 1 . 1 147 147 PHE CB C 13 37.833 . . . . . . . . 185 F CB . 50689 1 634 . 1 . 1 147 147 PHE N N 15 121.239 . . . . . . . . 185 F N . 50689 1 635 . 1 . 1 148 148 ALA H H 1 8.504 . . . . . . . . 186 A H . 50689 1 636 . 1 . 1 148 148 ALA C C 13 179.959 . . . . . . . . 186 A C . 50689 1 637 . 1 . 1 148 148 ALA CA C 13 54.082 . . . . . . . . 186 A CA . 50689 1 638 . 1 . 1 148 148 ALA CB C 13 18.028 . . . . . . . . 186 A CB . 50689 1 639 . 1 . 1 148 148 ALA N N 15 118.554 . . . . . . . . 186 A N . 50689 1 640 . 1 . 1 149 149 GLN H H 1 7.496 . . . . . . . . 187 Q H . 50689 1 641 . 1 . 1 149 149 GLN C C 13 178.480 . . . . . . . . 187 Q C . 50689 1 642 . 1 . 1 149 149 GLN CA C 13 57.911 . . . . . . . . 187 Q CA . 50689 1 643 . 1 . 1 149 149 GLN CB C 13 27.736 . . . . . . . . 187 Q CB . 50689 1 644 . 1 . 1 149 149 GLN N N 15 115.878 . . . . . . . . 187 Q N . 50689 1 645 . 1 . 1 150 150 VAL H H 1 7.479 . . . . . . . . 188 V H . 50689 1 646 . 1 . 1 150 150 VAL C C 13 177.029 . . . . . . . . 188 V C . 50689 1 647 . 1 . 1 150 150 VAL CA C 13 63.719 . . . . . . . . 188 V CA . 50689 1 648 . 1 . 1 150 150 VAL CB C 13 30.324 . . . . . . . . 188 V CB . 50689 1 649 . 1 . 1 150 150 VAL N N 15 115.469 . . . . . . . . 188 V N . 50689 1 650 . 1 . 1 151 151 VAL H H 1 6.852 . . . . . . . . 189 V H . 50689 1 651 . 1 . 1 151 151 VAL C C 13 176.099 . . . . . . . . 189 V C . 50689 1 652 . 1 . 1 151 151 VAL CA C 13 60.735 . . . . . . . . 189 V CA . 50689 1 653 . 1 . 1 151 151 VAL CB C 13 30.332 . . . . . . . . 189 V CB . 50689 1 654 . 1 . 1 151 151 VAL N N 15 108.391 . . . . . . . . 189 V N . 50689 1 655 . 1 . 1 152 152 GLN H H 1 6.850 . . . . . . . . 190 Q H . 50689 1 656 . 1 . 1 152 152 GLN C C 13 175.554 . . . . . . . . 190 Q C . 50689 1 657 . 1 . 1 152 152 GLN CA C 13 57.160 . . . . . . . . 190 Q CA . 50689 1 658 . 1 . 1 152 152 GLN CB C 13 28.042 . . . . . . . . 190 Q CB . 50689 1 659 . 1 . 1 152 152 GLN N N 15 122.660 . . . . . . . . 190 Q N . 50689 1 660 . 1 . 1 153 153 ASP H H 1 8.796 . . . . . . . . 191 D H . 50689 1 661 . 1 . 1 153 153 ASP C C 13 174.625 . . . . . . . . 191 D C . 50689 1 662 . 1 . 1 153 153 ASP CA C 13 55.839 . . . . . . . . 191 D CA . 50689 1 663 . 1 . 1 153 153 ASP CB C 13 39.015 . . . . . . . . 191 D CB . 50689 1 664 . 1 . 1 153 153 ASP N N 15 119.709 . . . . . . . . 191 D N . 50689 1 665 . 1 . 1 154 154 LYS H H 1 7.172 . . . . . . . . 192 K H . 50689 1 666 . 1 . 1 154 154 LYS C C 13 175.470 . . . . . . . . 192 K C . 50689 1 667 . 1 . 1 154 154 LYS CA C 13 54.500 . . . . . . . . 192 K CA . 50689 1 668 . 1 . 1 154 154 LYS CB C 13 34.140 . . . . . . . . 192 K CB . 50689 1 669 . 1 . 1 154 154 LYS N N 15 117.188 . . . . . . . . 192 K N . 50689 1 670 . 1 . 1 155 155 LYS H H 1 8.362 . . . . . . . . 193 K H . 50689 1 671 . 1 . 1 155 155 LYS C C 13 174.207 . . . . . . . . 193 K C . 50689 1 672 . 1 . 1 155 155 LYS CA C 13 56.087 . . . . . . . . 193 K CA . 50689 1 673 . 1 . 1 155 155 LYS CB C 13 31.150 . . . . . . . . 193 K CB . 50689 1 674 . 1 . 1 155 155 LYS N N 15 124.487 . . . . . . . . 193 K N . 50689 1 675 . 1 . 1 156 156 VAL H H 1 7.959 . . . . . . . . 194 V H . 50689 1 676 . 1 . 1 156 156 VAL C C 13 175.207 . . . . . . . . 194 V C . 50689 1 677 . 1 . 1 156 156 VAL CA C 13 60.488 . . . . . . . . 194 V CA . 50689 1 678 . 1 . 1 156 156 VAL CB C 13 32.368 . . . . . . . . 194 V CB . 50689 1 679 . 1 . 1 156 156 VAL N N 15 125.704 . . . . . . . . 194 V N . 50689 1 680 . 1 . 1 157 157 PHE H H 1 9.013 . . . . . . . . 195 F H . 50689 1 681 . 1 . 1 157 157 PHE C C 13 173.778 . . . . . . . . 195 F C . 50689 1 682 . 1 . 1 157 157 PHE CA C 13 54.884 . . . . . . . . 195 F CA . 50689 1 683 . 1 . 1 157 157 PHE CB C 13 42.642 . . . . . . . . 195 F CB . 50689 1 684 . 1 . 1 157 157 PHE N N 15 126.917 . . . . . . . . 195 F N . 50689 1 685 . 1 . 1 158 158 VAL H H 1 8.417 . . . . . . . . 196 V H . 50689 1 686 . 1 . 1 158 158 VAL C C 13 171.851 . . . . . . . . 196 V C . 50689 1 687 . 1 . 1 158 158 VAL CA C 13 60.405 . . . . . . . . 196 V CA . 50689 1 688 . 1 . 1 158 158 VAL CB C 13 34.717 . . . . . . . . 196 V CB . 50689 1 689 . 1 . 1 158 158 VAL N N 15 122.109 . . . . . . . . 196 V N . 50689 1 690 . 1 . 1 159 159 MET H H 1 9.421 . . . . . . . . 197 M H . 50689 1 691 . 1 . 1 159 159 MET C C 13 173.356 . . . . . . . . 197 M C . 50689 1 692 . 1 . 1 159 159 MET CA C 13 54.038 . . . . . . . . 197 M CA . 50689 1 693 . 1 . 1 159 159 MET CB C 13 34.773 . . . . . . . . 197 M CB . 50689 1 694 . 1 . 1 159 159 MET N N 15 130.219 . . . . . . . . 197 M N . 50689 1 695 . 1 . 1 160 160 THR H H 1 8.787 . . . . . . . . 198 T H . 50689 1 696 . 1 . 1 160 160 THR C C 13 173.479 . . . . . . . . 198 T C . 50689 1 697 . 1 . 1 160 160 THR CA C 13 60.476 . . . . . . . . 198 T CA . 50689 1 698 . 1 . 1 160 160 THR CB C 13 69.365 . . . . . . . . 198 T CB . 50689 1 699 . 1 . 1 160 160 THR N N 15 125.721 . . . . . . . . 198 T N . 50689 1 700 . 1 . 1 161 161 GLU H H 1 9.143 . . . . . . . . 199 E H . 50689 1 701 . 1 . 1 161 161 GLU C C 13 176.359 . . . . . . . . 199 E C . 50689 1 702 . 1 . 1 161 161 GLU CA C 13 53.657 . . . . . . . . 199 E CA . 50689 1 703 . 1 . 1 161 161 GLU CB C 13 32.360 . . . . . . . . 199 E CB . 50689 1 704 . 1 . 1 161 161 GLU N N 15 124.305 . . . . . . . . 199 E N . 50689 1 705 . 1 . 1 162 162 GLU H H 1 8.552 . . . . . . . . 200 E H . 50689 1 706 . 1 . 1 162 162 GLU C C 13 176.437 . . . . . . . . 200 E C . 50689 1 707 . 1 . 1 162 162 GLU CA C 13 57.171 . . . . . . . . 200 E CA . 50689 1 708 . 1 . 1 162 162 GLU CB C 13 29.505 . . . . . . . . 200 E CB . 50689 1 709 . 1 . 1 162 162 GLU N N 15 124.464 . . . . . . . . 200 E N . 50689 1 710 . 1 . 1 163 163 LYS H H 1 7.993 . . . . . . . . 201 K H . 50689 1 711 . 1 . 1 163 163 LYS C C 13 175.452 . . . . . . . . 201 K C . 50689 1 712 . 1 . 1 163 163 LYS CA C 13 59.007 . . . . . . . . 201 K CA . 50689 1 713 . 1 . 1 163 163 LYS CB C 13 34.330 . . . . . . . . 201 K CB . 50689 1 714 . 1 . 1 163 163 LYS N N 15 118.954 . . . . . . . . 201 K N . 50689 1 715 . 1 . 1 164 164 GLU H H 1 9.153 . . . . . . . . 202 E H . 50689 1 716 . 1 . 1 164 164 GLU C C 13 175.565 . . . . . . . . 202 E C . 50689 1 717 . 1 . 1 164 164 GLU CA C 13 56.689 . . . . . . . . 202 E CA . 50689 1 718 . 1 . 1 164 164 GLU CB C 13 28.887 . . . . . . . . 202 E CB . 50689 1 719 . 1 . 1 164 164 GLU N N 15 123.106 . . . . . . . . 202 E N . 50689 1 720 . 1 . 1 165 165 LYS H H 1 8.201 . . . . . . . . 203 K H . 50689 1 721 . 1 . 1 165 165 LYS C C 13 176.564 . . . . . . . . 203 K C . 50689 1 722 . 1 . 1 165 165 LYS CA C 13 55.449 . . . . . . . . 203 K CA . 50689 1 723 . 1 . 1 165 165 LYS CB C 13 31.254 . . . . . . . . 203 K CB . 50689 1 724 . 1 . 1 165 165 LYS N N 15 122.233 . . . . . . . . 203 K N . 50689 1 725 . 1 . 1 166 166 ILE H H 1 9.231 . . . . . . . . 204 I H . 50689 1 726 . 1 . 1 166 166 ILE C C 13 174.897 . . . . . . . . 204 I C . 50689 1 727 . 1 . 1 166 166 ILE CA C 13 57.705 . . . . . . . . 204 I CA . 50689 1 728 . 1 . 1 166 166 ILE CB C 13 35.339 . . . . . . . . 204 I CB . 50689 1 729 . 1 . 1 166 166 ILE N N 15 131.108 . . . . . . . . 204 I N . 50689 1 730 . 1 . 1 167 167 ARG H H 1 8.188 . . . . . . . . 205 R H . 50689 1 731 . 1 . 1 167 167 ARG C C 13 176.342 . . . . . . . . 205 R C . 50689 1 732 . 1 . 1 167 167 ARG CA C 13 51.151 . . . . . . . . 205 R CA . 50689 1 733 . 1 . 1 167 167 ARG CB C 13 32.219 . . . . . . . . 205 R CB . 50689 1 734 . 1 . 1 167 167 ARG N N 15 124.977 . . . . . . . . 205 R N . 50689 1 735 . 1 . 1 168 168 ALA H H 1 9.114 . . . . . . . . 206 A H . 50689 1 736 . 1 . 1 168 168 ALA C C 13 175.507 . . . . . . . . 206 A C . 50689 1 737 . 1 . 1 168 168 ALA CA C 13 50.654 . . . . . . . . 206 A CA . 50689 1 738 . 1 . 1 168 168 ALA CB C 13 19.667 . . . . . . . . 206 A CB . 50689 1 739 . 1 . 1 168 168 ALA N N 15 124.823 . . . . . . . . 206 A N . 50689 1 740 . 1 . 1 169 169 LYS H H 1 6.593 . . . . . . . . 207 K H . 50689 1 741 . 1 . 1 169 169 LYS C C 13 177.334 . . . . . . . . 207 K C . 50689 1 742 . 1 . 1 169 169 LYS CA C 13 53.637 . . . . . . . . 207 K CA . 50689 1 743 . 1 . 1 169 169 LYS CB C 13 34.516 . . . . . . . . 207 K CB . 50689 1 744 . 1 . 1 169 169 LYS N N 15 115.003 . . . . . . . . 207 K N . 50689 1 745 . 1 . 1 170 170 LYS H H 1 9.308 . . . . . . . . 208 K H . 50689 1 746 . 1 . 1 170 170 LYS C C 13 176.693 . . . . . . . . 208 K C . 50689 1 747 . 1 . 1 170 170 LYS CA C 13 60.592 . . . . . . . . 208 K CA . 50689 1 748 . 1 . 1 170 170 LYS CB C 13 31.456 . . . . . . . . 208 K CB . 50689 1 749 . 1 . 1 170 170 LYS N N 15 127.689 . . . . . . . . 208 K N . 50689 1 750 . 1 . 1 171 171 ASP H H 1 8.795 . . . . . . . . 209 D H . 50689 1 751 . 1 . 1 171 171 ASP C C 13 178.036 . . . . . . . . 209 D C . 50689 1 752 . 1 . 1 171 171 ASP CA C 13 57.253 . . . . . . . . 209 D CA . 50689 1 753 . 1 . 1 171 171 ASP CB C 13 40.424 . . . . . . . . 209 D CB . 50689 1 754 . 1 . 1 171 171 ASP N N 15 115.891 . . . . . . . . 209 D N . 50689 1 755 . 1 . 1 172 172 GLN H H 1 6.604 . . . . . . . . 210 Q H . 50689 1 756 . 1 . 1 172 172 GLN C C 13 177.464 . . . . . . . . 210 Q C . 50689 1 757 . 1 . 1 172 172 GLN CA C 13 57.124 . . . . . . . . 210 Q CA . 50689 1 758 . 1 . 1 172 172 GLN CB C 13 26.743 . . . . . . . . 210 Q CB . 50689 1 759 . 1 . 1 172 172 GLN N N 15 115.895 . . . . . . . . 210 Q N . 50689 1 760 . 1 . 1 173 173 ILE H H 1 7.646 . . . . . . . . 211 I H . 50689 1 761 . 1 . 1 173 173 ILE C C 13 176.644 . . . . . . . . 211 I C . 50689 1 762 . 1 . 1 173 173 ILE CA C 13 64.366 . . . . . . . . 211 I CA . 50689 1 763 . 1 . 1 173 173 ILE CB C 13 35.957 . . . . . . . . 211 I CB . 50689 1 764 . 1 . 1 173 173 ILE N N 15 118.279 . . . . . . . . 211 I N . 50689 1 765 . 1 . 1 174 174 ALA H H 1 8.016 . . . . . . . . 212 A H . 50689 1 766 . 1 . 1 174 174 ALA C C 13 178.328 . . . . . . . . 212 A C . 50689 1 767 . 1 . 1 174 174 ALA CA C 13 54.870 . . . . . . . . 212 A CA . 50689 1 768 . 1 . 1 174 174 ALA CB C 13 18.405 . . . . . . . . 212 A CB . 50689 1 769 . 1 . 1 174 174 ALA N N 15 118.951 . . . . . . . . 212 A N . 50689 1 770 . 1 . 1 175 175 SER H H 1 7.700 . . . . . . . . 213 S H . 50689 1 771 . 1 . 1 175 175 SER C C 13 176.469 . . . . . . . . 213 S C . 50689 1 772 . 1 . 1 175 175 SER CA C 13 61.458 . . . . . . . . 213 S CA . 50689 1 773 . 1 . 1 175 175 SER CB C 13 62.115 . . . . . . . . 213 S CB . 50689 1 774 . 1 . 1 175 175 SER N N 15 112.157 . . . . . . . . 213 S N . 50689 1 775 . 1 . 1 176 176 LEU H H 1 7.904 . . . . . . . . 214 L H . 50689 1 776 . 1 . 1 176 176 LEU C C 13 178.763 . . . . . . . . 214 L C . 50689 1 777 . 1 . 1 176 176 LEU CA C 13 57.178 . . . . . . . . 214 L CA . 50689 1 778 . 1 . 1 176 176 LEU CB C 13 41.295 . . . . . . . . 214 L CB . 50689 1 779 . 1 . 1 176 176 LEU N N 15 122.474 . . . . . . . . 214 L N . 50689 1 780 . 1 . 1 177 177 LEU H H 1 7.816 . . . . . . . . 215 L H . 50689 1 781 . 1 . 1 177 177 LEU C C 13 178.187 . . . . . . . . 215 L C . 50689 1 782 . 1 . 1 177 177 LEU CA C 13 57.826 . . . . . . . . 215 L CA . 50689 1 783 . 1 . 1 177 177 LEU CB C 13 37.647 . . . . . . . . 215 L CB . 50689 1 784 . 1 . 1 177 177 LEU N N 15 119.682 . . . . . . . . 215 L N . 50689 1 785 . 1 . 1 178 178 ALA H H 1 7.521 . . . . . . . . 216 A H . 50689 1 786 . 1 . 1 178 178 ALA C C 13 181.968 . . . . . . . . 216 A C . 50689 1 787 . 1 . 1 178 178 ALA CA C 13 54.624 . . . . . . . . 216 A CA . 50689 1 788 . 1 . 1 178 178 ALA CB C 13 16.627 . . . . . . . . 216 A CB . 50689 1 789 . 1 . 1 178 178 ALA N N 15 121.349 . . . . . . . . 216 A N . 50689 1 790 . 1 . 1 179 179 ASP H H 1 8.540 . . . . . . . . 217 D H . 50689 1 791 . 1 . 1 179 179 ASP C C 13 177.780 . . . . . . . . 217 D C . 50689 1 792 . 1 . 1 179 179 ASP CA C 13 57.600 . . . . . . . . 217 D CA . 50689 1 793 . 1 . 1 179 179 ASP CB C 13 40.328 . . . . . . . . 217 D CB . 50689 1 794 . 1 . 1 179 179 ASP N N 15 123.089 . . . . . . . . 217 D N . 50689 1 795 . 1 . 1 180 180 LEU H H 1 9.146 . . . . . . . . 218 L H . 50689 1 796 . 1 . 1 180 180 LEU C C 13 179.552 . . . . . . . . 218 L C . 50689 1 797 . 1 . 1 180 180 LEU CA C 13 57.919 . . . . . . . . 218 L CA . 50689 1 798 . 1 . 1 180 180 LEU CB C 13 41.239 . . . . . . . . 218 L CB . 50689 1 799 . 1 . 1 180 180 LEU N N 15 124.264 . . . . . . . . 218 L N . 50689 1 800 . 1 . 1 181 181 PHE H H 1 8.237 . . . . . . . . 219 F H . 50689 1 801 . 1 . 1 181 181 PHE C C 13 178.831 . . . . . . . . 219 F C . 50689 1 802 . 1 . 1 181 181 PHE CA C 13 62.439 . . . . . . . . 219 F CA . 50689 1 803 . 1 . 1 181 181 PHE CB C 13 37.621 . . . . . . . . 219 F CB . 50689 1 804 . 1 . 1 181 181 PHE N N 15 115.588 . . . . . . . . 219 F N . 50689 1 805 . 1 . 1 182 182 THR H H 1 8.417 . . . . . . . . 220 T H . 50689 1 806 . 1 . 1 182 182 THR C C 13 176.252 . . . . . . . . 220 T C . 50689 1 807 . 1 . 1 182 182 THR CA C 13 67.402 . . . . . . . . 220 T CA . 50689 1 808 . 1 . 1 182 182 THR N N 15 125.545 . . . . . . . . 220 T N . 50689 1 809 . 1 . 1 183 183 TRP H H 1 8.855 . . . . . . . . 221 W H . 50689 1 810 . 1 . 1 183 183 TRP C C 13 177.563 . . . . . . . . 221 W C . 50689 1 811 . 1 . 1 183 183 TRP CA C 13 61.794 . . . . . . . . 221 W CA . 50689 1 812 . 1 . 1 183 183 TRP CB C 13 26.247 . . . . . . . . 221 W CB . 50689 1 813 . 1 . 1 183 183 TRP N N 15 129.066 . . . . . . . . 221 W N . 50689 1 814 . 1 . 1 184 184 LYS H H 1 8.475 . . . . . . . . 222 K H . 50689 1 815 . 1 . 1 184 184 LYS C C 13 179.180 . . . . . . . . 222 K C . 50689 1 816 . 1 . 1 184 184 LYS CA C 13 59.833 . . . . . . . . 222 K CA . 50689 1 817 . 1 . 1 184 184 LYS CB C 13 30.626 . . . . . . . . 222 K CB . 50689 1 818 . 1 . 1 184 184 LYS N N 15 118.983 . . . . . . . . 222 K N . 50689 1 819 . 1 . 1 185 185 LEU H H 1 7.948 . . . . . . . . 223 L H . 50689 1 820 . 1 . 1 185 185 LEU C C 13 178.250 . . . . . . . . 223 L C . 50689 1 821 . 1 . 1 185 185 LEU CA C 13 57.796 . . . . . . . . 223 L CA . 50689 1 822 . 1 . 1 185 185 LEU CB C 13 40.084 . . . . . . . . 223 L CB . 50689 1 823 . 1 . 1 185 185 LEU N N 15 124.411 . . . . . . . . 223 L N . 50689 1 824 . 1 . 1 186 186 ALA H H 1 8.276 . . . . . . . . 224 A H . 50689 1 825 . 1 . 1 186 186 ALA C C 13 179.541 . . . . . . . . 224 A C . 50689 1 826 . 1 . 1 186 186 ALA CA C 13 54.767 . . . . . . . . 224 A CA . 50689 1 827 . 1 . 1 186 186 ALA CB C 13 17.069 . . . . . . . . 224 A CB . 50689 1 828 . 1 . 1 186 186 ALA N N 15 122.177 . . . . . . . . 224 A N . 50689 1 829 . 1 . 1 187 187 TRP H H 1 8.606 . . . . . . . . 225 W H . 50689 1 830 . 1 . 1 187 187 TRP C C 13 179.437 . . . . . . . . 225 W C . 50689 1 831 . 1 . 1 187 187 TRP CA C 13 57.106 . . . . . . . . 225 W CA . 50689 1 832 . 1 . 1 187 187 TRP CB C 13 29.539 . . . . . . . . 225 W CB . 50689 1 833 . 1 . 1 187 187 TRP N N 15 119.929 . . . . . . . . 225 W N . 50689 1 834 . 1 . 1 188 188 THR H H 1 8.668 . . . . . . . . 226 T H . 50689 1 835 . 1 . 1 188 188 THR C C 13 175.403 . . . . . . . . 226 T C . 50689 1 836 . 1 . 1 188 188 THR CA C 13 66.934 . . . . . . . . 226 T CA . 50689 1 837 . 1 . 1 188 188 THR CB C 13 68.276 . . . . . . . . 226 T CB . 50689 1 838 . 1 . 1 188 188 THR N N 15 118.292 . . . . . . . . 226 T N . 50689 1 839 . 1 . 1 189 189 ASN H H 1 8.311 . . . . . . . . 227 N H . 50689 1 840 . 1 . 1 189 189 ASN C C 13 174.374 . . . . . . . . 227 N C . 50689 1 841 . 1 . 1 189 189 ASN CA C 13 52.466 . . . . . . . . 227 N CA . 50689 1 842 . 1 . 1 189 189 ASN CB C 13 37.207 . . . . . . . . 227 N CB . 50689 1 843 . 1 . 1 189 189 ASN N N 15 118.303 . . . . . . . . 227 N N . 50689 1 844 . 1 . 1 190 190 SER H H 1 7.538 . . . . . . . . 228 S H . 50689 1 845 . 1 . 1 190 190 SER C C 13 173.400 . . . . . . . . 228 S C . 50689 1 846 . 1 . 1 190 190 SER CA C 13 59.012 . . . . . . . . 228 S CA . 50689 1 847 . 1 . 1 190 190 SER CB C 13 60.127 . . . . . . . . 228 S CB . 50689 1 848 . 1 . 1 190 190 SER N N 15 114.305 . . . . . . . . 228 S N . 50689 1 849 . 1 . 1 191 191 ASP H H 1 8.853 . . . . . . . . 229 D H . 50689 1 850 . 1 . 1 191 191 ASP C C 13 175.871 . . . . . . . . 229 D C . 50689 1 851 . 1 . 1 191 191 ASP CA C 13 51.183 . . . . . . . . 229 D CA . 50689 1 852 . 1 . 1 191 191 ASP CB C 13 38.497 . . . . . . . . 229 D CB . 50689 1 853 . 1 . 1 191 191 ASP N N 15 119.198 . . . . . . . . 229 D N . 50689 1 854 . 1 . 1 192 192 THR H H 1 7.982 . . . . . . . . 230 T H . 50689 1 855 . 1 . 1 192 192 THR C C 13 175.734 . . . . . . . . 230 T C . 50689 1 856 . 1 . 1 192 192 THR CA C 13 66.492 . . . . . . . . 230 T CA . 50689 1 857 . 1 . 1 192 192 THR CB C 13 67.776 . . . . . . . . 230 T CB . 50689 1 858 . 1 . 1 192 192 THR N N 15 120.822 . . . . . . . . 230 T N . 50689 1 859 . 1 . 1 193 193 ASN H H 1 8.865 . . . . . . . . 231 N H . 50689 1 860 . 1 . 1 193 193 ASN C C 13 178.643 . . . . . . . . 231 N C . 50689 1 861 . 1 . 1 193 193 ASN CA C 13 56.334 . . . . . . . . 231 N CA . 50689 1 862 . 1 . 1 193 193 ASN CB C 13 37.091 . . . . . . . . 231 N CB . 50689 1 863 . 1 . 1 193 193 ASN N N 15 118.082 . . . . . . . . 231 N N . 50689 1 864 . 1 . 1 194 194 THR H H 1 7.633 . . . . . . . . 232 T H . 50689 1 865 . 1 . 1 194 194 THR C C 13 177.524 . . . . . . . . 232 T C . 50689 1 866 . 1 . 1 194 194 THR CA C 13 65.586 . . . . . . . . 232 T CA . 50689 1 867 . 1 . 1 194 194 THR CB C 13 66.472 . . . . . . . . 232 T CB . 50689 1 868 . 1 . 1 194 194 THR N N 15 117.985 . . . . . . . . 232 T N . 50689 1 869 . 1 . 1 195 195 TYR H H 1 8.587 . . . . . . . . 233 Y H . 50689 1 870 . 1 . 1 195 195 TYR C C 13 176.654 . . . . . . . . 233 Y C . 50689 1 871 . 1 . 1 195 195 TYR CA C 13 62.629 . . . . . . . . 233 Y CA . 50689 1 872 . 1 . 1 195 195 TYR CB C 13 39.126 . . . . . . . . 233 Y CB . 50689 1 873 . 1 . 1 195 195 TYR N N 15 123.989 . . . . . . . . 233 Y N . 50689 1 874 . 1 . 1 196 196 LEU H H 1 8.769 . . . . . . . . 234 L H . 50689 1 875 . 1 . 1 196 196 LEU C C 13 179.721 . . . . . . . . 234 L C . 50689 1 876 . 1 . 1 196 196 LEU CA C 13 56.719 . . . . . . . . 234 L CA . 50689 1 877 . 1 . 1 196 196 LEU CB C 13 40.724 . . . . . . . . 234 L CB . 50689 1 878 . 1 . 1 196 196 LEU N N 15 114.719 . . . . . . . . 234 L N . 50689 1 879 . 1 . 1 197 197 SER H H 1 7.729 . . . . . . . . 235 S H . 50689 1 880 . 1 . 1 197 197 SER C C 13 174.598 . . . . . . . . 235 S C . 50689 1 881 . 1 . 1 197 197 SER CA C 13 60.667 . . . . . . . . 235 S CA . 50689 1 882 . 1 . 1 197 197 SER CB C 13 61.924 . . . . . . . . 235 S CB . 50689 1 883 . 1 . 1 197 197 SER N N 15 115.902 . . . . . . . . 235 S N . 50689 1 884 . 1 . 1 198 198 PHE H H 1 7.315 . . . . . . . . 236 F H . 50689 1 885 . 1 . 1 198 198 PHE C C 13 173.270 . . . . . . . . 236 F C . 50689 1 886 . 1 . 1 198 198 PHE CA C 13 59.276 . . . . . . . . 236 F CA . 50689 1 887 . 1 . 1 198 198 PHE CB C 13 38.248 . . . . . . . . 236 F CB . 50689 1 888 . 1 . 1 198 198 PHE N N 15 118.742 . . . . . . . . 236 F N . 50689 1 889 . 1 . 1 199 199 TYR H H 1 7.827 . . . . . . . . 237 Y H . 50689 1 890 . 1 . 1 199 199 TYR C C 13 174.658 . . . . . . . . 237 Y C . 50689 1 891 . 1 . 1 199 199 TYR CA C 13 57.923 . . . . . . . . 237 Y CA . 50689 1 892 . 1 . 1 199 199 TYR CB C 13 39.401 . . . . . . . . 237 Y CB . 50689 1 893 . 1 . 1 199 199 TYR N N 15 119.128 . . . . . . . . 237 Y N . 50689 1 894 . 1 . 1 214 214 GLN CA C 13 56.056 . . . . . . . . 252 Q CA . 50689 1 895 . 1 . 1 214 214 GLN CB C 13 31.989 . . . . . . . . 252 Q CB . 50689 1 896 . 1 . 1 215 215 PHE H H 1 8.000 . . . . . . . . 253 F H . 50689 1 897 . 1 . 1 215 215 PHE C C 13 176.130 . . . . . . . . 253 F C . 50689 1 898 . 1 . 1 215 215 PHE CA C 13 60.721 . . . . . . . . 253 F CA . 50689 1 899 . 1 . 1 215 215 PHE CB C 13 38.250 . . . . . . . . 253 F CB . 50689 1 900 . 1 . 1 215 215 PHE N N 15 121.769 . . . . . . . . 253 F N . 50689 1 901 . 1 . 1 216 216 ALA H H 1 8.954 . . . . . . . . 254 A H . 50689 1 902 . 1 . 1 216 216 ALA C C 13 179.843 . . . . . . . . 254 A C . 50689 1 903 . 1 . 1 216 216 ALA CA C 13 54.250 . . . . . . . . 254 A CA . 50689 1 904 . 1 . 1 216 216 ALA CB C 13 17.295 . . . . . . . . 254 A CB . 50689 1 905 . 1 . 1 216 216 ALA N N 15 121.476 . . . . . . . . 254 A N . 50689 1 906 . 1 . 1 217 217 SER H H 1 7.459 . . . . . . . . 255 S H . 50689 1 907 . 1 . 1 217 217 SER C C 13 177.000 . . . . . . . . 255 S C . 50689 1 908 . 1 . 1 217 217 SER CA C 13 60.922 . . . . . . . . 255 S CA . 50689 1 909 . 1 . 1 217 217 SER CB C 13 61.999 . . . . . . . . 255 S CB . 50689 1 910 . 1 . 1 217 217 SER N N 15 113.072 . . . . . . . . 255 S N . 50689 1 911 . 1 . 1 218 218 MET H H 1 7.985 . . . . . . . . 256 M H . 50689 1 912 . 1 . 1 218 218 MET C C 13 178.687 . . . . . . . . 256 M C . 50689 1 913 . 1 . 1 218 218 MET CA C 13 58.298 . . . . . . . . 256 M CA . 50689 1 914 . 1 . 1 218 218 MET CB C 13 31.114 . . . . . . . . 256 M CB . 50689 1 915 . 1 . 1 218 218 MET N N 15 123.885 . . . . . . . . 256 M N . 50689 1 916 . 1 . 1 219 219 LYS H H 1 8.041 . . . . . . . . 257 K H . 50689 1 917 . 1 . 1 219 219 LYS C C 13 177.635 . . . . . . . . 257 K C . 50689 1 918 . 1 . 1 219 219 LYS CA C 13 56.437 . . . . . . . . 257 K CA . 50689 1 919 . 1 . 1 219 219 LYS CB C 13 29.187 . . . . . . . . 257 K CB . 50689 1 920 . 1 . 1 219 219 LYS N N 15 118.728 . . . . . . . . 257 K N . 50689 1 921 . 1 . 1 220 220 LYS H H 1 8.176 . . . . . . . . 258 K H . 50689 1 922 . 1 . 1 220 220 LYS C C 13 179.621 . . . . . . . . 258 K C . 50689 1 923 . 1 . 1 220 220 LYS CA C 13 59.400 . . . . . . . . 258 K CA . 50689 1 924 . 1 . 1 220 220 LYS CB C 13 31.293 . . . . . . . . 258 K CB . 50689 1 925 . 1 . 1 220 220 LYS N N 15 118.952 . . . . . . . . 258 K N . 50689 1 926 . 1 . 1 221 221 SER H H 1 7.664 . . . . . . . . 259 S H . 50689 1 927 . 1 . 1 221 221 SER C C 13 177.843 . . . . . . . . 259 S C . 50689 1 928 . 1 . 1 221 221 SER CA C 13 61.219 . . . . . . . . 259 S CA . 50689 1 929 . 1 . 1 221 221 SER CB C 13 62.014 . . . . . . . . 259 S CB . 50689 1 930 . 1 . 1 221 221 SER N N 15 114.533 . . . . . . . . 259 S N . 50689 1 931 . 1 . 1 222 222 ILE H H 1 7.980 . . . . . . . . 260 I H . 50689 1 932 . 1 . 1 222 222 ILE C C 13 179.914 . . . . . . . . 260 I C . 50689 1 933 . 1 . 1 222 222 ILE CA C 13 64.227 . . . . . . . . 260 I CA . 50689 1 934 . 1 . 1 222 222 ILE CB C 13 37.731 . . . . . . . . 260 I CB . 50689 1 935 . 1 . 1 222 222 ILE N N 15 123.338 . . . . . . . . 260 I N . 50689 1 936 . 1 . 1 223 223 PHE H H 1 9.229 . . . . . . . . 261 F H . 50689 1 937 . 1 . 1 223 223 PHE C C 13 178.867 . . . . . . . . 261 F C . 50689 1 938 . 1 . 1 223 223 PHE CA C 13 57.861 . . . . . . . . 261 F CA . 50689 1 939 . 1 . 1 223 223 PHE CB C 13 35.891 . . . . . . . . 261 F CB . 50689 1 940 . 1 . 1 223 223 PHE N N 15 122.427 . . . . . . . . 261 F N . 50689 1 941 . 1 . 1 224 224 SER H H 1 7.971 . . . . . . . . 262 S H . 50689 1 942 . 1 . 1 224 224 SER C C 13 174.906 . . . . . . . . 262 S C . 50689 1 943 . 1 . 1 224 224 SER CA C 13 60.947 . . . . . . . . 262 S CA . 50689 1 944 . 1 . 1 224 224 SER CB C 13 62.528 . . . . . . . . 262 S CB . 50689 1 945 . 1 . 1 224 224 SER N N 15 116.127 . . . . . . . . 262 S N . 50689 1 946 . 1 . 1 225 225 ARG H H 1 7.302 . . . . . . . . 263 R H . 50689 1 947 . 1 . 1 225 225 ARG C C 13 176.311 . . . . . . . . 263 R C . 50689 1 948 . 1 . 1 225 225 ARG CA C 13 56.852 . . . . . . . . 263 R CA . 50689 1 949 . 1 . 1 225 225 ARG CB C 13 29.601 . . . . . . . . 263 R CB . 50689 1 950 . 1 . 1 225 225 ARG N N 15 120.366 . . . . . . . . 263 R N . 50689 1 951 . 1 . 1 226 226 LYS H H 1 8.139 . . . . . . . . 264 K H . 50689 1 952 . 1 . 1 226 226 LYS C C 13 175.872 . . . . . . . . 264 K C . 50689 1 953 . 1 . 1 226 226 LYS CA C 13 56.078 . . . . . . . . 264 K CA . 50689 1 954 . 1 . 1 226 226 LYS CB C 13 29.351 . . . . . . . . 264 K CB . 50689 1 955 . 1 . 1 226 226 LYS N N 15 118.018 . . . . . . . . 264 K N . 50689 1 956 . 1 . 1 227 227 GLU H H 1 8.205 . . . . . . . . 265 E H . 50689 1 957 . 1 . 1 227 227 GLU C C 13 176.471 . . . . . . . . 265 E C . 50689 1 958 . 1 . 1 227 227 GLU CA C 13 55.905 . . . . . . . . 265 E CA . 50689 1 959 . 1 . 1 227 227 GLU CB C 13 30.411 . . . . . . . . 265 E CB . 50689 1 960 . 1 . 1 227 227 GLU N N 15 119.918 . . . . . . . . 265 E N . 50689 1 961 . 1 . 1 228 228 ASP H H 1 8.472 . . . . . . . . 266 D H . 50689 1 962 . 1 . 1 228 228 ASP C C 13 175.741 . . . . . . . . 266 D C . 50689 1 963 . 1 . 1 228 228 ASP CA C 13 54.547 . . . . . . . . 266 D CA . 50689 1 964 . 1 . 1 228 228 ASP CB C 13 40.180 . . . . . . . . 266 D CB . 50689 1 965 . 1 . 1 228 228 ASP N N 15 124.234 . . . . . . . . 266 D N . 50689 1 966 . 1 . 1 229 229 LYS H H 1 8.422 . . . . . . . . 267 K H . 50689 1 967 . 1 . 1 229 229 LYS C C 13 174.891 . . . . . . . . 267 K C . 50689 1 968 . 1 . 1 229 229 LYS CA C 13 54.237 . . . . . . . . 267 K CA . 50689 1 969 . 1 . 1 229 229 LYS CB C 13 35.221 . . . . . . . . 267 K CB . 50689 1 970 . 1 . 1 229 229 LYS N N 15 124.651 . . . . . . . . 267 K N . 50689 1 971 . 1 . 1 230 230 LYS H H 1 8.360 . . . . . . . . 268 K H . 50689 1 972 . 1 . 1 230 230 LYS C C 13 175.155 . . . . . . . . 268 K C . 50689 1 973 . 1 . 1 230 230 LYS CA C 13 54.916 . . . . . . . . 268 K CA . 50689 1 974 . 1 . 1 230 230 LYS CB C 13 33.522 . . . . . . . . 268 K CB . 50689 1 975 . 1 . 1 230 230 LYS N N 15 121.490 . . . . . . . . 268 K N . 50689 1 976 . 1 . 1 231 231 ILE H H 1 8.787 . . . . . . . . 269 I H . 50689 1 977 . 1 . 1 231 231 ILE C C 13 174.236 . . . . . . . . 269 I C . 50689 1 978 . 1 . 1 231 231 ILE CA C 13 60.070 . . . . . . . . 269 I CA . 50689 1 979 . 1 . 1 231 231 ILE CB C 13 39.283 . . . . . . . . 269 I CB . 50689 1 980 . 1 . 1 231 231 ILE N N 15 125.845 . . . . . . . . 269 I N . 50689 1 981 . 1 . 1 232 232 LYS H H 1 9.204 . . . . . . . . 270 K H . 50689 1 982 . 1 . 1 232 232 LYS C C 13 175.823 . . . . . . . . 270 K C . 50689 1 983 . 1 . 1 232 232 LYS CA C 13 54.359 . . . . . . . . 270 K CA . 50689 1 984 . 1 . 1 232 232 LYS CB C 13 35.077 . . . . . . . . 270 K CB . 50689 1 985 . 1 . 1 232 232 LYS N N 15 129.309 . . . . . . . . 270 K N . 50689 1 986 . 1 . 1 233 233 PHE H H 1 8.929 . . . . . . . . 271 F H . 50689 1 987 . 1 . 1 233 233 PHE C C 13 175.722 . . . . . . . . 271 F C . 50689 1 988 . 1 . 1 233 233 PHE CA C 13 51.961 . . . . . . . . 271 F CA . 50689 1 989 . 1 . 1 233 233 PHE CB C 13 39.617 . . . . . . . . 271 F CB . 50689 1 990 . 1 . 1 233 233 PHE N N 15 124.628 . . . . . . . . 271 F N . 50689 1 991 . 1 . 1 234 234 SER H H 1 9.489 . . . . . . . . 272 S H . 50689 1 992 . 1 . 1 234 234 SER C C 13 172.134 . . . . . . . . 272 S C . 50689 1 993 . 1 . 1 234 234 SER CA C 13 57.137 . . . . . . . . 272 S CA . 50689 1 994 . 1 . 1 234 234 SER CB C 13 65.221 . . . . . . . . 272 S CB . 50689 1 995 . 1 . 1 234 234 SER N N 15 116.815 . . . . . . . . 272 S N . 50689 1 996 . 1 . 1 235 235 ASP H H 1 9.113 . . . . . . . . 273 D H . 50689 1 997 . 1 . 1 235 235 ASP C C 13 173.825 . . . . . . . . 273 D C . 50689 1 998 . 1 . 1 235 235 ASP CA C 13 54.642 . . . . . . . . 273 D CA . 50689 1 999 . 1 . 1 235 235 ASP CB C 13 38.409 . . . . . . . . 273 D CB . 50689 1 1000 . 1 . 1 235 235 ASP N N 15 120.648 . . . . . . . . 273 D N . 50689 1 1001 . 1 . 1 236 236 ILE H H 1 8.694 . . . . . . . . 274 I H . 50689 1 1002 . 1 . 1 236 236 ILE C C 13 176.286 . . . . . . . . 274 I C . 50689 1 1003 . 1 . 1 236 236 ILE CA C 13 62.390 . . . . . . . . 274 I CA . 50689 1 1004 . 1 . 1 236 236 ILE CB C 13 37.170 . . . . . . . . 274 I CB . 50689 1 1005 . 1 . 1 236 236 ILE N N 15 119.237 . . . . . . . . 274 I N . 50689 1 1006 . 1 . 1 237 237 ASN H H 1 9.303 . . . . . . . . 275 N H . 50689 1 1007 . 1 . 1 237 237 ASN C C 13 174.082 . . . . . . . . 275 N C . 50689 1 1008 . 1 . 1 237 237 ASN CA C 13 51.954 . . . . . . . . 275 N CA . 50689 1 1009 . 1 . 1 237 237 ASN CB C 13 41.223 . . . . . . . . 275 N CB . 50689 1 1010 . 1 . 1 237 237 ASN N N 15 126.560 . . . . . . . . 275 N N . 50689 1 1011 . 1 . 1 238 238 ILE H H 1 8.772 . . . . . . . . 276 I H . 50689 1 1012 . 1 . 1 238 238 ILE C C 13 174.205 . . . . . . . . 276 I C . 50689 1 1013 . 1 . 1 238 238 ILE CA C 13 59.330 . . . . . . . . 276 I CA . 50689 1 1014 . 1 . 1 238 238 ILE CB C 13 39.340 . . . . . . . . 276 I CB . 50689 1 1015 . 1 . 1 238 238 ILE N N 15 124.447 . . . . . . . . 276 I N . 50689 1 1016 . 1 . 1 239 239 SER H H 1 8.801 . . . . . . . . 277 S H . 50689 1 1017 . 1 . 1 239 239 SER C C 13 170.398 . . . . . . . . 277 S C . 50689 1 1018 . 1 . 1 239 239 SER CA C 13 55.218 . . . . . . . . 277 S CA . 50689 1 1019 . 1 . 1 239 239 SER CB C 13 62.096 . . . . . . . . 277 S CB . 50689 1 1020 . 1 . 1 239 239 SER N N 15 120.977 . . . . . . . . 277 S N . 50689 1 1021 . 1 . 1 242 242 PRO C C 13 173.287 . . . . . . . . 280 P C . 50689 1 1022 . 1 . 1 242 242 PRO CA C 13 63.145 . . . . . . . . 280 P CA . 50689 1 1023 . 1 . 1 242 242 PRO CB C 13 32.264 . . . . . . . . 280 P CB . 50689 1 1024 . 1 . 1 243 243 ASN H H 1 8.050 . . . . . . . . 281 N H . 50689 1 1025 . 1 . 1 243 243 ASN C C 13 174.604 . . . . . . . . 281 N C . 50689 1 1026 . 1 . 1 243 243 ASN CA C 13 52.548 . . . . . . . . 281 N CA . 50689 1 1027 . 1 . 1 243 243 ASN CB C 13 43.818 . . . . . . . . 281 N CB . 50689 1 1028 . 1 . 1 243 243 ASN N N 15 114.564 . . . . . . . . 281 N N . 50689 1 1029 . 1 . 1 244 244 LEU H H 1 9.529 . . . . . . . . 282 L H . 50689 1 1030 . 1 . 1 244 244 LEU C C 13 176.819 . . . . . . . . 282 L C . 50689 1 1031 . 1 . 1 244 244 LEU CA C 13 54.498 . . . . . . . . 282 L CA . 50689 1 1032 . 1 . 1 244 244 LEU CB C 13 39.993 . . . . . . . . 282 L CB . 50689 1 1033 . 1 . 1 244 244 LEU N N 15 124.978 . . . . . . . . 282 L N . 50689 1 1034 . 1 . 1 245 245 GLU H H 1 8.501 . . . . . . . . 283 E H . 50689 1 1035 . 1 . 1 245 245 GLU C C 13 175.788 . . . . . . . . 283 E C . 50689 1 1036 . 1 . 1 245 245 GLU CA C 13 55.500 . . . . . . . . 283 E CA . 50689 1 1037 . 1 . 1 245 245 GLU CB C 13 28.916 . . . . . . . . 283 E CB . 50689 1 1038 . 1 . 1 245 245 GLU N N 15 119.018 . . . . . . . . 283 E N . 50689 1 1039 . 1 . 1 246 246 ASN H H 1 8.396 . . . . . . . . 284 N H . 50689 1 1040 . 1 . 1 246 246 ASN C C 13 174.712 . . . . . . . . 284 N C . 50689 1 1041 . 1 . 1 246 246 ASN CA C 13 54.010 . . . . . . . . 284 N CA . 50689 1 1042 . 1 . 1 246 246 ASN CB C 13 36.571 . . . . . . . . 284 N CB . 50689 1 1043 . 1 . 1 246 246 ASN N N 15 115.826 . . . . . . . . 284 N N . 50689 1 1044 . 1 . 1 247 247 GLU H H 1 7.734 . . . . . . . . 285 E H . 50689 1 1045 . 1 . 1 247 247 GLU C C 13 176.930 . . . . . . . . 285 E C . 50689 1 1046 . 1 . 1 247 247 GLU CA C 13 53.897 . . . . . . . . 285 E CA . 50689 1 1047 . 1 . 1 247 247 GLU CB C 13 31.305 . . . . . . . . 285 E CB . 50689 1 1048 . 1 . 1 247 247 GLU N N 15 115.848 . . . . . . . . 285 E N . 50689 1 1049 . 1 . 1 248 248 THR H H 1 9.823 . . . . . . . . 286 T H . 50689 1 1050 . 1 . 1 248 248 THR C C 13 173.247 . . . . . . . . 286 T C . 50689 1 1051 . 1 . 1 248 248 THR CA C 13 62.648 . . . . . . . . 286 T CA . 50689 1 1052 . 1 . 1 248 248 THR CB C 13 67.699 . . . . . . . . 286 T CB . 50689 1 1053 . 1 . 1 248 248 THR N N 15 123.928 . . . . . . . . 286 T N . 50689 1 1054 . 1 . 1 249 249 MET H H 1 8.463 . . . . . . . . 287 M H . 50689 1 1055 . 1 . 1 249 249 MET C C 13 174.822 . . . . . . . . 287 M C . 50689 1 1056 . 1 . 1 249 249 MET CA C 13 53.999 . . . . . . . . 287 M CA . 50689 1 1057 . 1 . 1 249 249 MET CB C 13 37.438 . . . . . . . . 287 M CB . 50689 1 1058 . 1 . 1 249 249 MET N N 15 125.058 . . . . . . . . 287 M N . 50689 1 1059 . 1 . 1 250 250 TYR H H 1 8.871 . . . . . . . . 288 Y H . 50689 1 1060 . 1 . 1 250 250 TYR C C 13 173.530 . . . . . . . . 288 Y C . 50689 1 1061 . 1 . 1 250 250 TYR CA C 13 56.395 . . . . . . . . 288 Y CA . 50689 1 1062 . 1 . 1 250 250 TYR CB C 13 42.977 . . . . . . . . 288 Y CB . 50689 1 1063 . 1 . 1 250 250 TYR N N 15 118.915 . . . . . . . . 288 Y N . 50689 1 1064 . 1 . 1 251 251 ARG H H 1 9.123 . . . . . . . . 289 R H . 50689 1 1065 . 1 . 1 251 251 ARG C C 13 174.271 . . . . . . . . 289 R C . 50689 1 1066 . 1 . 1 251 251 ARG CA C 13 53.508 . . . . . . . . 289 R CA . 50689 1 1067 . 1 . 1 251 251 ARG CB C 13 33.200 . . . . . . . . 289 R CB . 50689 1 1068 . 1 . 1 251 251 ARG N N 15 121.514 . . . . . . . . 289 R N . 50689 1 1069 . 1 . 1 252 252 ILE H H 1 9.208 . . . . . . . . 290 I H . 50689 1 1070 . 1 . 1 252 252 ILE C C 13 173.621 . . . . . . . . 290 I C . 50689 1 1071 . 1 . 1 252 252 ILE CA C 13 59.889 . . . . . . . . 290 I CA . 50689 1 1072 . 1 . 1 252 252 ILE CB C 13 39.524 . . . . . . . . 290 I CB . 50689 1 1073 . 1 . 1 252 252 ILE N N 15 128.870 . . . . . . . . 290 I N . 50689 1 1074 . 1 . 1 253 253 SER H H 1 9.383 . . . . . . . . 291 S H . 50689 1 1075 . 1 . 1 253 253 SER C C 13 172.567 . . . . . . . . 291 S C . 50689 1 1076 . 1 . 1 253 253 SER CA C 13 55.806 . . . . . . . . 291 S CA . 50689 1 1077 . 1 . 1 253 253 SER CB C 13 66.071 . . . . . . . . 291 S CB . 50689 1 1078 . 1 . 1 253 253 SER N N 15 122.591 . . . . . . . . 291 S N . 50689 1 1079 . 1 . 1 254 254 PHE H H 1 8.048 . . . . . . . . 292 F H . 50689 1 1080 . 1 . 1 254 254 PHE C C 13 172.250 . . . . . . . . 292 F C . 50689 1 1081 . 1 . 1 254 254 PHE CA C 13 55.589 . . . . . . . . 292 F CA . 50689 1 1082 . 1 . 1 254 254 PHE CB C 13 38.680 . . . . . . . . 292 F CB . 50689 1 1083 . 1 . 1 254 254 PHE N N 15 117.143 . . . . . . . . 292 F N . 50689 1 1084 . 1 . 1 255 255 TYR H H 1 9.371 . . . . . . . . 293 Y H . 50689 1 1085 . 1 . 1 255 255 TYR C C 13 174.363 . . . . . . . . 293 Y C . 50689 1 1086 . 1 . 1 255 255 TYR CA C 13 57.716 . . . . . . . . 293 Y CA . 50689 1 1087 . 1 . 1 255 255 TYR CB C 13 38.727 . . . . . . . . 293 Y CB . 50689 1 1088 . 1 . 1 255 255 TYR N N 15 122.114 . . . . . . . . 293 Y N . 50689 1 1089 . 1 . 1 256 256 GLU H H 1 8.834 . . . . . . . . 294 E H . 50689 1 1090 . 1 . 1 256 256 GLU C C 13 172.372 . . . . . . . . 294 E C . 50689 1 1091 . 1 . 1 256 256 GLU CA C 13 53.701 . . . . . . . . 294 E CA . 50689 1 1092 . 1 . 1 256 256 GLU CB C 13 32.655 . . . . . . . . 294 E CB . 50689 1 1093 . 1 . 1 256 256 GLU N N 15 129.931 . . . . . . . . 294 E N . 50689 1 1094 . 1 . 1 257 257 ASP H H 1 8.745 . . . . . . . . 295 D H . 50689 1 1095 . 1 . 1 257 257 ASP C C 13 174.284 . . . . . . . . 295 D C . 50689 1 1096 . 1 . 1 257 257 ASP CA C 13 52.964 . . . . . . . . 295 D CA . 50689 1 1097 . 1 . 1 257 257 ASP CB C 13 43.082 . . . . . . . . 295 D CB . 50689 1 1098 . 1 . 1 257 257 ASP N N 15 124.784 . . . . . . . . 295 D N . 50689 1 1099 . 1 . 1 258 258 TYR H H 1 9.662 . . . . . . . . 296 Y H . 50689 1 1100 . 1 . 1 258 258 TYR C C 13 174.314 . . . . . . . . 296 Y C . 50689 1 1101 . 1 . 1 258 258 TYR CA C 13 56.917 . . . . . . . . 296 Y CA . 50689 1 1102 . 1 . 1 258 258 TYR CB C 13 40.419 . . . . . . . . 296 Y CB . 50689 1 1103 . 1 . 1 258 258 TYR N N 15 128.034 . . . . . . . . 296 Y N . 50689 1 1104 . 1 . 1 259 259 TYR H H 1 8.839 . . . . . . . . 297 Y H . 50689 1 1105 . 1 . 1 259 259 TYR C C 13 174.026 . . . . . . . . 297 Y C . 50689 1 1106 . 1 . 1 259 259 TYR CA C 13 58.798 . . . . . . . . 297 Y CA . 50689 1 1107 . 1 . 1 259 259 TYR CB C 13 41.118 . . . . . . . . 297 Y CB . 50689 1 1108 . 1 . 1 259 259 TYR N N 15 130.939 . . . . . . . . 297 Y N . 50689 1 1109 . 1 . 1 260 260 THR H H 1 7.178 . . . . . . . . 298 T H . 50689 1 1110 . 1 . 1 260 260 THR C C 13 172.938 . . . . . . . . 298 T C . 50689 1 1111 . 1 . 1 260 260 THR CA C 13 59.545 . . . . . . . . 298 T CA . 50689 1 1112 . 1 . 1 260 260 THR CB C 13 72.964 . . . . . . . . 298 T CB . 50689 1 1113 . 1 . 1 260 260 THR N N 15 116.517 . . . . . . . . 298 T N . 50689 1 1114 . 1 . 1 261 261 LYS H H 1 8.768 . . . . . . . . 299 K H . 50689 1 1115 . 1 . 1 261 261 LYS C C 13 177.559 . . . . . . . . 299 K C . 50689 1 1116 . 1 . 1 261 261 LYS CA C 13 58.945 . . . . . . . . 299 K CA . 50689 1 1117 . 1 . 1 261 261 LYS CB C 13 31.216 . . . . . . . . 299 K CB . 50689 1 1118 . 1 . 1 261 261 LYS N N 15 119.647 . . . . . . . . 299 K N . 50689 1 1119 . 1 . 1 262 262 ASN H H 1 7.988 . . . . . . . . 300 N H . 50689 1 1120 . 1 . 1 262 262 ASN C C 13 174.664 . . . . . . . . 300 N C . 50689 1 1121 . 1 . 1 262 262 ASN CA C 13 53.133 . . . . . . . . 300 N CA . 50689 1 1122 . 1 . 1 262 262 ASN CB C 13 39.388 . . . . . . . . 300 N CB . 50689 1 1123 . 1 . 1 262 262 ASN N N 15 111.916 . . . . . . . . 300 N N . 50689 1 1124 . 1 . 1 263 263 TYR H H 1 7.431 . . . . . . . . 301 Y H . 50689 1 1125 . 1 . 1 263 263 TYR C C 13 172.790 . . . . . . . . 301 Y C . 50689 1 1126 . 1 . 1 263 263 TYR CA C 13 58.298 . . . . . . . . 301 Y CA . 50689 1 1127 . 1 . 1 263 263 TYR CB C 13 39.923 . . . . . . . . 301 Y CB . 50689 1 1128 . 1 . 1 263 263 TYR N N 15 121.315 . . . . . . . . 301 Y N . 50689 1 1129 . 1 . 1 264 264 GLN H H 1 7.762 . . . . . . . . 302 Q H . 50689 1 1130 . 1 . 1 264 264 GLN C C 13 173.076 . . . . . . . . 302 Q C . 50689 1 1131 . 1 . 1 264 264 GLN CA C 13 53.971 . . . . . . . . 302 Q CA . 50689 1 1132 . 1 . 1 264 264 GLN CB C 13 30.571 . . . . . . . . 302 Q CB . 50689 1 1133 . 1 . 1 264 264 GLN N N 15 125.561 . . . . . . . . 302 Q N . 50689 1 1134 . 1 . 1 265 265 PHE H H 1 8.844 . . . . . . . . 303 F H . 50689 1 1135 . 1 . 1 265 265 PHE C C 13 172.210 . . . . . . . . 303 F C . 50689 1 1136 . 1 . 1 265 265 PHE CA C 13 57.308 . . . . . . . . 303 F CA . 50689 1 1137 . 1 . 1 265 265 PHE CB C 13 42.126 . . . . . . . . 303 F CB . 50689 1 1138 . 1 . 1 265 265 PHE N N 15 121.321 . . . . . . . . 303 F N . 50689 1 1139 . 1 . 1 266 266 ARG H H 1 7.391 . . . . . . . . 304 R H . 50689 1 1140 . 1 . 1 266 266 ARG C C 13 175.011 . . . . . . . . 304 R C . 50689 1 1141 . 1 . 1 266 266 ARG CA C 13 53.513 . . . . . . . . 304 R CA . 50689 1 1142 . 1 . 1 266 266 ARG CB C 13 31.713 . . . . . . . . 304 R CB . 50689 1 1143 . 1 . 1 266 266 ARG N N 15 126.352 . . . . . . . . 304 R N . 50689 1 1144 . 1 . 1 267 267 GLY H H 1 7.861 . . . . . . . . 305 G H . 50689 1 1145 . 1 . 1 267 267 GLY C C 13 170.678 . . . . . . . . 305 G C . 50689 1 1146 . 1 . 1 267 267 GLY CA C 13 44.600 . . . . . . . . 305 G CA . 50689 1 1147 . 1 . 1 267 267 GLY N N 15 109.977 . . . . . . . . 305 G N . 50689 1 1148 . 1 . 1 268 268 ASP H H 1 8.255 . . . . . . . . 306 D H . 50689 1 1149 . 1 . 1 268 268 ASP C C 13 176.066 . . . . . . . . 306 D C . 50689 1 1150 . 1 . 1 268 268 ASP CA C 13 54.908 . . . . . . . . 306 D CA . 50689 1 1151 . 1 . 1 268 268 ASP CB C 13 41.505 . . . . . . . . 306 D CB . 50689 1 1152 . 1 . 1 268 268 ASP N N 15 119.269 . . . . . . . . 306 D N . 50689 1 1153 . 1 . 1 269 269 LYS H H 1 8.896 . . . . . . . . 307 K H . 50689 1 1154 . 1 . 1 269 269 LYS C C 13 174.659 . . . . . . . . 307 K C . 50689 1 1155 . 1 . 1 269 269 LYS CA C 13 53.719 . . . . . . . . 307 K CA . 50689 1 1156 . 1 . 1 269 269 LYS CB C 13 31.670 . . . . . . . . 307 K CB . 50689 1 1157 . 1 . 1 269 269 LYS N N 15 124.415 . . . . . . . . 307 K N . 50689 1 1158 . 1 . 1 270 270 ILE H H 1 8.064 . . . . . . . . 308 I H . 50689 1 1159 . 1 . 1 270 270 ILE C C 13 173.974 . . . . . . . . 308 I C . 50689 1 1160 . 1 . 1 270 270 ILE CA C 13 60.048 . . . . . . . . 308 I CA . 50689 1 1161 . 1 . 1 270 270 ILE CB C 13 41.176 . . . . . . . . 308 I CB . 50689 1 1162 . 1 . 1 270 270 ILE N N 15 120.742 . . . . . . . . 308 I N . 50689 1 1163 . 1 . 1 271 271 LEU H H 1 9.296 . . . . . . . . 309 L H . 50689 1 1164 . 1 . 1 271 271 LEU C C 13 175.513 . . . . . . . . 309 L C . 50689 1 1165 . 1 . 1 271 271 LEU CA C 13 52.525 . . . . . . . . 309 L CA . 50689 1 1166 . 1 . 1 271 271 LEU CB C 13 44.985 . . . . . . . . 309 L CB . 50689 1 1167 . 1 . 1 271 271 LEU N N 15 123.995 . . . . . . . . 309 L N . 50689 1 1168 . 1 . 1 272 272 TYR H H 1 8.518 . . . . . . . . 310 Y H . 50689 1 1169 . 1 . 1 272 272 TYR C C 13 175.426 . . . . . . . . 310 Y C . 50689 1 1170 . 1 . 1 272 272 TYR CA C 13 57.233 . . . . . . . . 310 Y CA . 50689 1 1171 . 1 . 1 272 272 TYR CB C 13 38.704 . . . . . . . . 310 Y CB . 50689 1 1172 . 1 . 1 272 272 TYR N N 15 121.390 . . . . . . . . 310 Y N . 50689 1 1173 . 1 . 1 273 273 VAL H H 1 8.875 . . . . . . . . 311 V H . 50689 1 1174 . 1 . 1 273 273 VAL C C 13 173.871 . . . . . . . . 311 V C . 50689 1 1175 . 1 . 1 273 273 VAL CA C 13 57.536 . . . . . . . . 311 V CA . 50689 1 1176 . 1 . 1 273 273 VAL CB C 13 34.375 . . . . . . . . 311 V CB . 50689 1 1177 . 1 . 1 273 273 VAL N N 15 116.286 . . . . . . . . 311 V N . 50689 1 1178 . 1 . 1 274 274 LYS H H 1 9.040 . . . . . . . . 312 K H . 50689 1 1179 . 1 . 1 274 274 LYS C C 13 174.159 . . . . . . . . 312 K C . 50689 1 1180 . 1 . 1 274 274 LYS CA C 13 52.905 . . . . . . . . 312 K CA . 50689 1 1181 . 1 . 1 274 274 LYS CB C 13 35.266 . . . . . . . . 312 K CB . 50689 1 1182 . 1 . 1 274 274 LYS N N 15 117.953 . . . . . . . . 312 K N . 50689 1 1183 . 1 . 1 275 275 ILE H H 1 7.633 . . . . . . . . 313 I H . 50689 1 1184 . 1 . 1 275 275 ILE C C 13 176.772 . . . . . . . . 313 I C . 50689 1 1185 . 1 . 1 275 275 ILE CA C 13 59.778 . . . . . . . . 313 I CA . 50689 1 1186 . 1 . 1 275 275 ILE CB C 13 37.224 . . . . . . . . 313 I CB . 50689 1 1187 . 1 . 1 275 275 ILE N N 15 118.904 . . . . . . . . 313 I N . 50689 1 1188 . 1 . 1 276 276 ASP H H 1 8.970 . . . . . . . . 314 D H . 50689 1 1189 . 1 . 1 276 276 ASP C C 13 178.417 . . . . . . . . 314 D C . 50689 1 1190 . 1 . 1 276 276 ASP CA C 13 52.825 . . . . . . . . 314 D CA . 50689 1 1191 . 1 . 1 276 276 ASP CB C 13 40.663 . . . . . . . . 314 D CB . 50689 1 1192 . 1 . 1 276 276 ASP N N 15 129.773 . . . . . . . . 314 D N . 50689 1 1193 . 1 . 1 277 277 SER H H 1 8.268 . . . . . . . . 315 S H . 50689 1 1194 . 1 . 1 277 277 SER C C 13 175.603 . . . . . . . . 315 S C . 50689 1 1195 . 1 . 1 277 277 SER CA C 13 60.583 . . . . . . . . 315 S CA . 50689 1 1196 . 1 . 1 277 277 SER CB C 13 62.301 . . . . . . . . 315 S CB . 50689 1 1197 . 1 . 1 277 277 SER N N 15 112.746 . . . . . . . . 315 S N . 50689 1 1198 . 1 . 1 278 278 LYS H H 1 8.154 . . . . . . . . 316 K H . 50689 1 1199 . 1 . 1 278 278 LYS C C 13 176.947 . . . . . . . . 316 K C . 50689 1 1200 . 1 . 1 278 278 LYS CA C 13 54.809 . . . . . . . . 316 K CA . 50689 1 1201 . 1 . 1 278 278 LYS CB C 13 31.085 . . . . . . . . 316 K CB . 50689 1 1202 . 1 . 1 278 278 LYS N N 15 121.839 . . . . . . . . 316 K N . 50689 1 1203 . 1 . 1 279 279 GLY H H 1 8.185 . . . . . . . . 317 G H . 50689 1 1204 . 1 . 1 279 279 GLY C C 13 174.212 . . . . . . . . 317 G C . 50689 1 1205 . 1 . 1 279 279 GLY CA C 13 45.184 . . . . . . . . 317 G CA . 50689 1 1206 . 1 . 1 279 279 GLY N N 15 109.599 . . . . . . . . 317 G N . 50689 1 1207 . 1 . 1 280 280 LYS H H 1 8.510 . . . . . . . . 318 K H . 50689 1 1208 . 1 . 1 280 280 LYS C C 13 175.177 . . . . . . . . 318 K C . 50689 1 1209 . 1 . 1 280 280 LYS CA C 13 54.553 . . . . . . . . 318 K CA . 50689 1 1210 . 1 . 1 280 280 LYS CB C 13 33.610 . . . . . . . . 318 K CB . 50689 1 1211 . 1 . 1 280 280 LYS N N 15 125.398 . . . . . . . . 318 K N . 50689 1 1212 . 1 . 1 281 281 MET H H 1 8.521 . . . . . . . . 319 M H . 50689 1 1213 . 1 . 1 281 281 MET C C 13 174.490 . . . . . . . . 319 M C . 50689 1 1214 . 1 . 1 281 281 MET CA C 13 56.881 . . . . . . . . 319 M CA . 50689 1 1215 . 1 . 1 281 281 MET CB C 13 35.284 . . . . . . . . 319 M CB . 50689 1 1216 . 1 . 1 281 281 MET N N 15 124.072 . . . . . . . . 319 M N . 50689 1 1217 . 1 . 1 282 282 LYS H H 1 8.631 . . . . . . . . 320 K H . 50689 1 1218 . 1 . 1 282 282 LYS C C 13 175.908 . . . . . . . . 320 K C . 50689 1 1219 . 1 . 1 282 282 LYS CA C 13 51.635 . . . . . . . . 320 K CA . 50689 1 1220 . 1 . 1 282 282 LYS CB C 13 33.751 . . . . . . . . 320 K CB . 50689 1 1221 . 1 . 1 282 282 LYS N N 15 123.705 . . . . . . . . 320 K N . 50689 1 1222 . 1 . 1 283 283 ILE H H 1 9.733 . . . . . . . . 321 I H . 50689 1 1223 . 1 . 1 283 283 ILE C C 13 175.585 . . . . . . . . 321 I C . 50689 1 1224 . 1 . 1 283 283 ILE CA C 13 63.165 . . . . . . . . 321 I CA . 50689 1 1225 . 1 . 1 283 283 ILE CB C 13 37.972 . . . . . . . . 321 I CB . 50689 1 1226 . 1 . 1 283 283 ILE N N 15 124.501 . . . . . . . . 321 I N . 50689 1 1227 . 1 . 1 285 285 ALA C C 13 174.339 . . . . . . . . 323 A C . 50689 1 1228 . 1 . 1 285 285 ALA CA C 13 52.270 . . . . . . . . 323 A CA . 50689 1 1229 . 1 . 1 285 285 ALA CB C 13 20.452 . . . . . . . . 323 A CB . 50689 1 1230 . 1 . 1 286 286 GLU H H 1 8.984 . . . . . . . . 324 E H . 50689 1 1231 . 1 . 1 286 286 GLU C C 13 173.864 . . . . . . . . 324 E C . 50689 1 1232 . 1 . 1 286 286 GLU CA C 13 54.570 . . . . . . . . 324 E CA . 50689 1 1233 . 1 . 1 286 286 GLU CB C 13 33.334 . . . . . . . . 324 E CB . 50689 1 1234 . 1 . 1 286 286 GLU N N 15 124.225 . . . . . . . . 324 E N . 50689 1 1235 . 1 . 1 287 287 GLN H H 1 9.244 . . . . . . . . 325 Q H . 50689 1 1236 . 1 . 1 287 287 GLN C C 13 180.634 . . . . . . . . 325 Q C . 50689 1 1237 . 1 . 1 287 287 GLN CA C 13 57.663 . . . . . . . . 325 Q CA . 50689 1 1238 . 1 . 1 287 287 GLN CB C 13 31.034 . . . . . . . . 325 Q CB . 50689 1 1239 . 1 . 1 287 287 GLN N N 15 133.275 . . . . . . . . 325 Q N . 50689 1 stop_ save_