data_50135 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50135 _Entry.Title ; KirBac1.1_POPC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-16 _Entry.Accession_date 2019-12-16 _Entry.Last_release_date 2019-12-17 _Entry.Original_release_date 2019-12-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'chemical shift assignment of KirBac1.1 in POPC bilayers in the solid state' _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 Reza Amani . . . . 50135 2 Benjamin Wylie . J. . 0000-0001-8183-2762 50135 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50135 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1280 50135 '15N chemical shifts' 303 50135 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 3 . . 2020-06-24 2019-12-16 update author 'update assignments, etc.' 50135 2 . . 2020-03-10 2019-12-16 update BMRB 'update entry citation' 50135 1 . . 2019-12-20 2019-12-16 original author 'original release' 50135 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50123 'KirBac1.1 in POPC:POPG micelle' 50135 PDB 1p7b 'reported crystal structure for assigned protein (KirBac1.1)' 50135 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50135 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31980523 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational changes upon gating of KirBac1.1 into an open-activated state revealed by solid-state NMR and functional assays ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 117 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 2938 _Citation.Page_last 2947 _Citation.Year 2020 _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 Reza Amani . . . . 50135 1 2 Collin Borcik . . . . 50135 1 3 Nazmul Khan . . . . 50135 1 4 Derek Versteeg . . . . 50135 1 5 Maryam Yekefallah . . . . 50135 1 6 Hoa Do . . . . 50135 1 7 Heather Coats . . . . 50135 1 8 Benjamin Wylie . . . . 50135 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Solid State NMR, Potassium channel, Allostery, Lipid Activation, Membrane Protein' 50135 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50135 _Assembly.ID 1 _Assembly.Name 'KirBac1.1 1p7b' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 148000 _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 'KirBac1.1 in PC bilayers, conformer 1' 1 $entity_1 . . yes native yes no . . . 50135 1 2 'KirBac1.1 in PC bilayers, conformer 2' 1 $entity_1 . . yes native yes no . . . 50135 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 1p7b . . X-ray . . . 50135 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'potassium channel' 50135 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50135 _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 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNVDPFSPHSSDSFAQAASP ARKPPRGGRRIWSGTREVIA YGMPASVWRDLYYWALKVSW PVFFASLAALFVVNNTLFAL LYQLGDAPIANQSPPGFVGA FFFSVETLATVGYGDMHPQT VYAHAIATLECFVGMSGIAL STGLVFARFARPRAKIMFAR HAIVRPFNGRMTLMVRAANA RQNVIAEARAKMRLMRREHS SEGYSLMKIHDLKLVRNEHP IFLLGWNMMHVIDESSPLFG ETPESLAEGRAMLLVMIEGS DETTAQVMQARHAWEHDDIR WHHRYVDLMSDVDGMTHIDY TRFNDTEPVEPPGAAPDAQA FAAKPGEGDARPVPRGSRSH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 345 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation I131C _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 PDB 1p7b . KirBac1.1 . . . . . . . . . . . . . . 50135 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'potassium channel' 50135 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 1 MET . 50135 1 2 2 ASN . 50135 1 3 3 VAL . 50135 1 4 4 ASP . 50135 1 5 5 PRO . 50135 1 6 6 PHE . 50135 1 7 7 SER . 50135 1 8 8 PRO . 50135 1 9 9 HIS . 50135 1 10 10 SER . 50135 1 11 11 SER . 50135 1 12 12 ASP . 50135 1 13 13 SER . 50135 1 14 14 PHE . 50135 1 15 15 ALA . 50135 1 16 16 GLN . 50135 1 17 17 ALA . 50135 1 18 18 ALA . 50135 1 19 19 SER . 50135 1 20 20 PRO . 50135 1 21 21 ALA . 50135 1 22 22 ARG . 50135 1 23 23 LYS . 50135 1 24 24 PRO . 50135 1 25 25 PRO . 50135 1 26 26 ARG . 50135 1 27 27 GLY . 50135 1 28 28 GLY . 50135 1 29 29 ARG . 50135 1 30 30 ARG . 50135 1 31 31 ILE . 50135 1 32 32 TRP . 50135 1 33 33 SER . 50135 1 34 34 GLY . 50135 1 35 35 THR . 50135 1 36 36 ARG . 50135 1 37 37 GLU . 50135 1 38 38 VAL . 50135 1 39 39 ILE . 50135 1 40 40 ALA . 50135 1 41 41 TYR . 50135 1 42 42 GLY . 50135 1 43 43 MET . 50135 1 44 44 PRO . 50135 1 45 45 ALA . 50135 1 46 46 SER . 50135 1 47 47 VAL . 50135 1 48 48 TRP . 50135 1 49 49 ARG . 50135 1 50 50 ASP . 50135 1 51 51 LEU . 50135 1 52 52 TYR . 50135 1 53 53 TYR . 50135 1 54 54 TRP . 50135 1 55 55 ALA . 50135 1 56 56 LEU . 50135 1 57 57 LYS . 50135 1 58 58 VAL . 50135 1 59 59 SER . 50135 1 60 60 TRP . 50135 1 61 61 PRO . 50135 1 62 62 VAL . 50135 1 63 63 PHE . 50135 1 64 64 PHE . 50135 1 65 65 ALA . 50135 1 66 66 SER . 50135 1 67 67 LEU . 50135 1 68 68 ALA . 50135 1 69 69 ALA . 50135 1 70 70 LEU . 50135 1 71 71 PHE . 50135 1 72 72 VAL . 50135 1 73 73 VAL . 50135 1 74 74 ASN . 50135 1 75 75 ASN . 50135 1 76 76 THR . 50135 1 77 77 LEU . 50135 1 78 78 PHE . 50135 1 79 79 ALA . 50135 1 80 80 LEU . 50135 1 81 81 LEU . 50135 1 82 82 TYR . 50135 1 83 83 GLN . 50135 1 84 84 LEU . 50135 1 85 85 GLY . 50135 1 86 86 ASP . 50135 1 87 87 ALA . 50135 1 88 88 PRO . 50135 1 89 89 ILE . 50135 1 90 90 ALA . 50135 1 91 91 ASN . 50135 1 92 92 GLN . 50135 1 93 93 SER . 50135 1 94 94 PRO . 50135 1 95 95 PRO . 50135 1 96 96 GLY . 50135 1 97 97 PHE . 50135 1 98 98 VAL . 50135 1 99 99 GLY . 50135 1 100 100 ALA . 50135 1 101 101 PHE . 50135 1 102 102 PHE . 50135 1 103 103 PHE . 50135 1 104 104 SER . 50135 1 105 105 VAL . 50135 1 106 106 GLU . 50135 1 107 107 THR . 50135 1 108 108 LEU . 50135 1 109 109 ALA . 50135 1 110 110 THR . 50135 1 111 111 VAL . 50135 1 112 112 GLY . 50135 1 113 113 TYR . 50135 1 114 114 GLY . 50135 1 115 115 ASP . 50135 1 116 116 MET . 50135 1 117 117 HIS . 50135 1 118 118 PRO . 50135 1 119 119 GLN . 50135 1 120 120 THR . 50135 1 121 121 VAL . 50135 1 122 122 TYR . 50135 1 123 123 ALA . 50135 1 124 124 HIS . 50135 1 125 125 ALA . 50135 1 126 126 ILE . 50135 1 127 127 ALA . 50135 1 128 128 THR . 50135 1 129 129 LEU . 50135 1 130 130 GLU . 50135 1 131 131 CYS . 50135 1 132 132 PHE . 50135 1 133 133 VAL . 50135 1 134 134 GLY . 50135 1 135 135 MET . 50135 1 136 136 SER . 50135 1 137 137 GLY . 50135 1 138 138 ILE . 50135 1 139 139 ALA . 50135 1 140 140 LEU . 50135 1 141 141 SER . 50135 1 142 142 THR . 50135 1 143 143 GLY . 50135 1 144 144 LEU . 50135 1 145 145 VAL . 50135 1 146 146 PHE . 50135 1 147 147 ALA . 50135 1 148 148 ARG . 50135 1 149 149 PHE . 50135 1 150 150 ALA . 50135 1 151 151 ARG . 50135 1 152 152 PRO . 50135 1 153 153 ARG . 50135 1 154 154 ALA . 50135 1 155 155 LYS . 50135 1 156 156 ILE . 50135 1 157 157 MET . 50135 1 158 158 PHE . 50135 1 159 159 ALA . 50135 1 160 160 ARG . 50135 1 161 161 HIS . 50135 1 162 162 ALA . 50135 1 163 163 ILE . 50135 1 164 164 VAL . 50135 1 165 165 ARG . 50135 1 166 166 PRO . 50135 1 167 167 PHE . 50135 1 168 168 ASN . 50135 1 169 169 GLY . 50135 1 170 170 ARG . 50135 1 171 171 MET . 50135 1 172 172 THR . 50135 1 173 173 LEU . 50135 1 174 174 MET . 50135 1 175 175 VAL . 50135 1 176 176 ARG . 50135 1 177 177 ALA . 50135 1 178 178 ALA . 50135 1 179 179 ASN . 50135 1 180 180 ALA . 50135 1 181 181 ARG . 50135 1 182 182 GLN . 50135 1 183 183 ASN . 50135 1 184 184 VAL . 50135 1 185 185 ILE . 50135 1 186 186 ALA . 50135 1 187 187 GLU . 50135 1 188 188 ALA . 50135 1 189 189 ARG . 50135 1 190 190 ALA . 50135 1 191 191 LYS . 50135 1 192 192 MET . 50135 1 193 193 ARG . 50135 1 194 194 LEU . 50135 1 195 195 MET . 50135 1 196 196 ARG . 50135 1 197 197 ARG . 50135 1 198 198 GLU . 50135 1 199 199 HIS . 50135 1 200 200 SER . 50135 1 201 201 SER . 50135 1 202 202 GLU . 50135 1 203 203 GLY . 50135 1 204 204 TYR . 50135 1 205 205 SER . 50135 1 206 206 LEU . 50135 1 207 207 MET . 50135 1 208 208 LYS . 50135 1 209 209 ILE . 50135 1 210 210 HIS . 50135 1 211 211 ASP . 50135 1 212 212 LEU . 50135 1 213 213 LYS . 50135 1 214 214 LEU . 50135 1 215 215 VAL . 50135 1 216 216 ARG . 50135 1 217 217 ASN . 50135 1 218 218 GLU . 50135 1 219 219 HIS . 50135 1 220 220 PRO . 50135 1 221 221 ILE . 50135 1 222 222 PHE . 50135 1 223 223 LEU . 50135 1 224 224 LEU . 50135 1 225 225 GLY . 50135 1 226 226 TRP . 50135 1 227 227 ASN . 50135 1 228 228 MET . 50135 1 229 229 MET . 50135 1 230 230 HIS . 50135 1 231 231 VAL . 50135 1 232 232 ILE . 50135 1 233 233 ASP . 50135 1 234 234 GLU . 50135 1 235 235 SER . 50135 1 236 236 SER . 50135 1 237 237 PRO . 50135 1 238 238 LEU . 50135 1 239 239 PHE . 50135 1 240 240 GLY . 50135 1 241 241 GLU . 50135 1 242 242 THR . 50135 1 243 243 PRO . 50135 1 244 244 GLU . 50135 1 245 245 SER . 50135 1 246 246 LEU . 50135 1 247 247 ALA . 50135 1 248 248 GLU . 50135 1 249 249 GLY . 50135 1 250 250 ARG . 50135 1 251 251 ALA . 50135 1 252 252 MET . 50135 1 253 253 LEU . 50135 1 254 254 LEU . 50135 1 255 255 VAL . 50135 1 256 256 MET . 50135 1 257 257 ILE . 50135 1 258 258 GLU . 50135 1 259 259 GLY . 50135 1 260 260 SER . 50135 1 261 261 ASP . 50135 1 262 262 GLU . 50135 1 263 263 THR . 50135 1 264 264 THR . 50135 1 265 265 ALA . 50135 1 266 266 GLN . 50135 1 267 267 VAL . 50135 1 268 268 MET . 50135 1 269 269 GLN . 50135 1 270 270 ALA . 50135 1 271 271 ARG . 50135 1 272 272 HIS . 50135 1 273 273 ALA . 50135 1 274 274 TRP . 50135 1 275 275 GLU . 50135 1 276 276 HIS . 50135 1 277 277 ASP . 50135 1 278 278 ASP . 50135 1 279 279 ILE . 50135 1 280 280 ARG . 50135 1 281 281 TRP . 50135 1 282 282 HIS . 50135 1 283 283 HIS . 50135 1 284 284 ARG . 50135 1 285 285 TYR . 50135 1 286 286 VAL . 50135 1 287 287 ASP . 50135 1 288 288 LEU . 50135 1 289 289 MET . 50135 1 290 290 SER . 50135 1 291 291 ASP . 50135 1 292 292 VAL . 50135 1 293 293 ASP . 50135 1 294 294 GLY . 50135 1 295 295 MET . 50135 1 296 296 THR . 50135 1 297 297 HIS . 50135 1 298 298 ILE . 50135 1 299 299 ASP . 50135 1 300 300 TYR . 50135 1 301 301 THR . 50135 1 302 302 ARG . 50135 1 303 303 PHE . 50135 1 304 304 ASN . 50135 1 305 305 ASP . 50135 1 306 306 THR . 50135 1 307 307 GLU . 50135 1 308 308 PRO . 50135 1 309 309 VAL . 50135 1 310 310 GLU . 50135 1 311 311 PRO . 50135 1 312 312 PRO . 50135 1 313 313 GLY . 50135 1 314 314 ALA . 50135 1 315 315 ALA . 50135 1 316 316 PRO . 50135 1 317 317 ASP . 50135 1 318 318 ALA . 50135 1 319 319 GLN . 50135 1 320 320 ALA . 50135 1 321 321 PHE . 50135 1 322 322 ALA . 50135 1 323 323 ALA . 50135 1 324 324 LYS . 50135 1 325 325 PRO . 50135 1 326 326 GLY . 50135 1 327 327 GLU . 50135 1 328 328 GLY . 50135 1 329 329 ASP . 50135 1 330 330 ALA . 50135 1 331 331 ARG . 50135 1 332 332 PRO . 50135 1 333 333 VAL . 50135 1 334 334 PRO . 50135 1 335 335 ARG . 50135 1 336 336 GLY . 50135 1 337 337 SER . 50135 1 338 338 ARG . 50135 1 339 339 SER . 50135 1 340 340 HIS . 50135 1 341 341 HIS . 50135 1 342 342 HIS . 50135 1 343 343 HIS . 50135 1 344 344 HIS . 50135 1 345 345 HIS . 50135 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50135 1 . ASN 2 2 50135 1 . VAL 3 3 50135 1 . ASP 4 4 50135 1 . PRO 5 5 50135 1 . PHE 6 6 50135 1 . SER 7 7 50135 1 . PRO 8 8 50135 1 . HIS 9 9 50135 1 . SER 10 10 50135 1 . SER 11 11 50135 1 . ASP 12 12 50135 1 . SER 13 13 50135 1 . PHE 14 14 50135 1 . ALA 15 15 50135 1 . GLN 16 16 50135 1 . ALA 17 17 50135 1 . ALA 18 18 50135 1 . SER 19 19 50135 1 . PRO 20 20 50135 1 . ALA 21 21 50135 1 . ARG 22 22 50135 1 . LYS 23 23 50135 1 . PRO 24 24 50135 1 . PRO 25 25 50135 1 . ARG 26 26 50135 1 . GLY 27 27 50135 1 . GLY 28 28 50135 1 . ARG 29 29 50135 1 . ARG 30 30 50135 1 . ILE 31 31 50135 1 . TRP 32 32 50135 1 . SER 33 33 50135 1 . GLY 34 34 50135 1 . THR 35 35 50135 1 . ARG 36 36 50135 1 . GLU 37 37 50135 1 . VAL 38 38 50135 1 . ILE 39 39 50135 1 . ALA 40 40 50135 1 . TYR 41 41 50135 1 . GLY 42 42 50135 1 . MET 43 43 50135 1 . PRO 44 44 50135 1 . ALA 45 45 50135 1 . SER 46 46 50135 1 . VAL 47 47 50135 1 . TRP 48 48 50135 1 . ARG 49 49 50135 1 . ASP 50 50 50135 1 . LEU 51 51 50135 1 . TYR 52 52 50135 1 . TYR 53 53 50135 1 . TRP 54 54 50135 1 . ALA 55 55 50135 1 . LEU 56 56 50135 1 . LYS 57 57 50135 1 . VAL 58 58 50135 1 . SER 59 59 50135 1 . TRP 60 60 50135 1 . PRO 61 61 50135 1 . VAL 62 62 50135 1 . PHE 63 63 50135 1 . PHE 64 64 50135 1 . ALA 65 65 50135 1 . SER 66 66 50135 1 . LEU 67 67 50135 1 . ALA 68 68 50135 1 . ALA 69 69 50135 1 . LEU 70 70 50135 1 . PHE 71 71 50135 1 . VAL 72 72 50135 1 . VAL 73 73 50135 1 . ASN 74 74 50135 1 . ASN 75 75 50135 1 . THR 76 76 50135 1 . LEU 77 77 50135 1 . PHE 78 78 50135 1 . ALA 79 79 50135 1 . LEU 80 80 50135 1 . LEU 81 81 50135 1 . TYR 82 82 50135 1 . GLN 83 83 50135 1 . LEU 84 84 50135 1 . GLY 85 85 50135 1 . ASP 86 86 50135 1 . ALA 87 87 50135 1 . PRO 88 88 50135 1 . ILE 89 89 50135 1 . ALA 90 90 50135 1 . ASN 91 91 50135 1 . GLN 92 92 50135 1 . SER 93 93 50135 1 . PRO 94 94 50135 1 . PRO 95 95 50135 1 . GLY 96 96 50135 1 . PHE 97 97 50135 1 . VAL 98 98 50135 1 . GLY 99 99 50135 1 . ALA 100 100 50135 1 . PHE 101 101 50135 1 . PHE 102 102 50135 1 . PHE 103 103 50135 1 . SER 104 104 50135 1 . VAL 105 105 50135 1 . GLU 106 106 50135 1 . THR 107 107 50135 1 . LEU 108 108 50135 1 . ALA 109 109 50135 1 . THR 110 110 50135 1 . VAL 111 111 50135 1 . GLY 112 112 50135 1 . TYR 113 113 50135 1 . GLY 114 114 50135 1 . ASP 115 115 50135 1 . MET 116 116 50135 1 . HIS 117 117 50135 1 . PRO 118 118 50135 1 . GLN 119 119 50135 1 . THR 120 120 50135 1 . VAL 121 121 50135 1 . TYR 122 122 50135 1 . ALA 123 123 50135 1 . HIS 124 124 50135 1 . ALA 125 125 50135 1 . ILE 126 126 50135 1 . ALA 127 127 50135 1 . THR 128 128 50135 1 . LEU 129 129 50135 1 . GLU 130 130 50135 1 . CYS 131 131 50135 1 . PHE 132 132 50135 1 . VAL 133 133 50135 1 . GLY 134 134 50135 1 . MET 135 135 50135 1 . SER 136 136 50135 1 . GLY 137 137 50135 1 . ILE 138 138 50135 1 . ALA 139 139 50135 1 . LEU 140 140 50135 1 . SER 141 141 50135 1 . THR 142 142 50135 1 . GLY 143 143 50135 1 . LEU 144 144 50135 1 . VAL 145 145 50135 1 . PHE 146 146 50135 1 . ALA 147 147 50135 1 . ARG 148 148 50135 1 . PHE 149 149 50135 1 . ALA 150 150 50135 1 . ARG 151 151 50135 1 . PRO 152 152 50135 1 . ARG 153 153 50135 1 . ALA 154 154 50135 1 . LYS 155 155 50135 1 . ILE 156 156 50135 1 . MET 157 157 50135 1 . PHE 158 158 50135 1 . ALA 159 159 50135 1 . ARG 160 160 50135 1 . HIS 161 161 50135 1 . ALA 162 162 50135 1 . ILE 163 163 50135 1 . VAL 164 164 50135 1 . ARG 165 165 50135 1 . PRO 166 166 50135 1 . PHE 167 167 50135 1 . ASN 168 168 50135 1 . GLY 169 169 50135 1 . ARG 170 170 50135 1 . MET 171 171 50135 1 . THR 172 172 50135 1 . LEU 173 173 50135 1 . MET 174 174 50135 1 . VAL 175 175 50135 1 . ARG 176 176 50135 1 . ALA 177 177 50135 1 . ALA 178 178 50135 1 . ASN 179 179 50135 1 . ALA 180 180 50135 1 . ARG 181 181 50135 1 . GLN 182 182 50135 1 . ASN 183 183 50135 1 . VAL 184 184 50135 1 . ILE 185 185 50135 1 . ALA 186 186 50135 1 . GLU 187 187 50135 1 . ALA 188 188 50135 1 . ARG 189 189 50135 1 . ALA 190 190 50135 1 . LYS 191 191 50135 1 . MET 192 192 50135 1 . ARG 193 193 50135 1 . LEU 194 194 50135 1 . MET 195 195 50135 1 . ARG 196 196 50135 1 . ARG 197 197 50135 1 . GLU 198 198 50135 1 . HIS 199 199 50135 1 . SER 200 200 50135 1 . SER 201 201 50135 1 . GLU 202 202 50135 1 . GLY 203 203 50135 1 . TYR 204 204 50135 1 . SER 205 205 50135 1 . LEU 206 206 50135 1 . MET 207 207 50135 1 . LYS 208 208 50135 1 . ILE 209 209 50135 1 . HIS 210 210 50135 1 . ASP 211 211 50135 1 . LEU 212 212 50135 1 . LYS 213 213 50135 1 . LEU 214 214 50135 1 . VAL 215 215 50135 1 . ARG 216 216 50135 1 . ASN 217 217 50135 1 . GLU 218 218 50135 1 . HIS 219 219 50135 1 . PRO 220 220 50135 1 . ILE 221 221 50135 1 . PHE 222 222 50135 1 . LEU 223 223 50135 1 . LEU 224 224 50135 1 . GLY 225 225 50135 1 . TRP 226 226 50135 1 . ASN 227 227 50135 1 . MET 228 228 50135 1 . MET 229 229 50135 1 . HIS 230 230 50135 1 . VAL 231 231 50135 1 . ILE 232 232 50135 1 . ASP 233 233 50135 1 . GLU 234 234 50135 1 . SER 235 235 50135 1 . SER 236 236 50135 1 . PRO 237 237 50135 1 . LEU 238 238 50135 1 . PHE 239 239 50135 1 . GLY 240 240 50135 1 . GLU 241 241 50135 1 . THR 242 242 50135 1 . PRO 243 243 50135 1 . GLU 244 244 50135 1 . SER 245 245 50135 1 . LEU 246 246 50135 1 . ALA 247 247 50135 1 . GLU 248 248 50135 1 . GLY 249 249 50135 1 . ARG 250 250 50135 1 . ALA 251 251 50135 1 . MET 252 252 50135 1 . LEU 253 253 50135 1 . LEU 254 254 50135 1 . VAL 255 255 50135 1 . MET 256 256 50135 1 . ILE 257 257 50135 1 . GLU 258 258 50135 1 . GLY 259 259 50135 1 . SER 260 260 50135 1 . ASP 261 261 50135 1 . GLU 262 262 50135 1 . THR 263 263 50135 1 . THR 264 264 50135 1 . ALA 265 265 50135 1 . GLN 266 266 50135 1 . VAL 267 267 50135 1 . MET 268 268 50135 1 . GLN 269 269 50135 1 . ALA 270 270 50135 1 . ARG 271 271 50135 1 . HIS 272 272 50135 1 . ALA 273 273 50135 1 . TRP 274 274 50135 1 . GLU 275 275 50135 1 . HIS 276 276 50135 1 . ASP 277 277 50135 1 . ASP 278 278 50135 1 . ILE 279 279 50135 1 . ARG 280 280 50135 1 . TRP 281 281 50135 1 . HIS 282 282 50135 1 . HIS 283 283 50135 1 . ARG 284 284 50135 1 . TYR 285 285 50135 1 . VAL 286 286 50135 1 . ASP 287 287 50135 1 . LEU 288 288 50135 1 . MET 289 289 50135 1 . SER 290 290 50135 1 . ASP 291 291 50135 1 . VAL 292 292 50135 1 . ASP 293 293 50135 1 . GLY 294 294 50135 1 . MET 295 295 50135 1 . THR 296 296 50135 1 . HIS 297 297 50135 1 . ILE 298 298 50135 1 . ASP 299 299 50135 1 . TYR 300 300 50135 1 . THR 301 301 50135 1 . ARG 302 302 50135 1 . PHE 303 303 50135 1 . ASN 304 304 50135 1 . ASP 305 305 50135 1 . THR 306 306 50135 1 . GLU 307 307 50135 1 . PRO 308 308 50135 1 . VAL 309 309 50135 1 . GLU 310 310 50135 1 . PRO 311 311 50135 1 . PRO 312 312 50135 1 . GLY 313 313 50135 1 . ALA 314 314 50135 1 . ALA 315 315 50135 1 . PRO 316 316 50135 1 . ASP 317 317 50135 1 . ALA 318 318 50135 1 . GLN 319 319 50135 1 . ALA 320 320 50135 1 . PHE 321 321 50135 1 . ALA 322 322 50135 1 . ALA 323 323 50135 1 . LYS 324 324 50135 1 . PRO 325 325 50135 1 . GLY 326 326 50135 1 . GLU 327 327 50135 1 . GLY 328 328 50135 1 . ASP 329 329 50135 1 . ALA 330 330 50135 1 . ARG 331 331 50135 1 . PRO 332 332 50135 1 . VAL 333 333 50135 1 . PRO 334 334 50135 1 . ARG 335 335 50135 1 . GLY 336 336 50135 1 . SER 337 337 50135 1 . ARG 338 338 50135 1 . SER 339 339 50135 1 . HIS 340 340 50135 1 . HIS 341 341 50135 1 . HIS 342 342 50135 1 . HIS 343 343 50135 1 . HIS 344 344 50135 1 . HIS 345 345 50135 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 50135 _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 . 28450 organism . 'Burkholderia Pseudomallei' 'Burkholderia Pseudomallei' . . Bacteria . Burkholderia Pseudomallei . . . . . . . . . . . . . 50135 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 50135 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . 'extracted and purified from E.coli.' 50135 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50135 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details 'KirBac1.1 in POPC bilayers' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% H2O' _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 H2O 'natural abundance' . . . . . . 55.5 . . M . . . . 50135 1 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 50135 1 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 50135 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50135 1 5 POPC 'natural abundance' . . . . . . 50 . . % . . . . 50135 1 6 KirBac1.1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 50 . . % . . . . 50135 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 50135 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'KirBac1.1 in POPC bilayers' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 50135 1 pH 7.5 . pH 50135 1 pressure 1 . atm 50135 1 temperature 253 . K 50135 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50135 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50135 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50135 1 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 50135 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model ASC _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50135 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50135 1 2 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50135 1 3 '3D CANcoCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50135 1 4 '2D C-C' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50135 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 50135 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 adamantane 'methyl carbon' . . . . ppm 40.48 external direct 1 . . . . . 50135 1 N 15 adamantane nitrogen . . . . ppm 37.6 external indirect 0.40316395 . . . . . 50135 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 50135 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Assigned chemical shift for residues from 58 to 150 of KirBac1.1 in POPC.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACX' . . . 50135 1 2 '3D NCOCX' . . . 50135 1 3 '3D CANcoCA' . . . 50135 1 4 '2D C-C' . . . 50135 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASN C C 13 177.537 0.1 . . . . . . . 2 N C . 50135 1 2 . 1 . 1 2 2 ASN CA C 13 55.400 0.1 . . . . . . . 2 N CA . 50135 1 3 . 1 . 1 2 2 ASN CB C 13 37.554 0.1 . . . . . . . 2 N CB . 50135 1 4 . 1 . 1 2 2 ASN CG C 13 179.531 0.1 . . . . . . . 2 N CG . 50135 1 5 . 1 . 1 2 2 ASN N N 15 114.600 0.1 . . . . . . . 2 N N . 50135 1 6 . 1 . 1 3 3 VAL C C 13 177.395 0.1 . . . . . . . 3 V C . 50135 1 7 . 1 . 1 3 3 VAL CA C 13 65.693 0.1 . . . . . . . 3 V CA . 50135 1 8 . 1 . 1 3 3 VAL CB C 13 31.322 0.1 . . . . . . . 3 V CB . 50135 1 9 . 1 . 1 3 3 VAL CG1 C 13 23.917 0.1 . . . . . . . 3 V CG1 . 50135 1 10 . 1 . 1 3 3 VAL N N 15 116.107 0.1 . . . . . . . 3 V N . 50135 1 11 . 1 . 1 4 4 ASP CA C 13 55.399 0.1 . . . . . . . 4 D CA . 50135 1 12 . 1 . 1 4 4 ASP CB C 13 37.721 0.1 . . . . . . . 4 D CB . 50135 1 13 . 1 . 1 4 4 ASP N N 15 120.402 0.1 . . . . . . . 4 D N . 50135 1 14 . 1 . 1 5 5 PRO C C 13 175.831 0.1 . . . . . . . 5 P C . 50135 1 15 . 1 . 1 5 5 PRO CA C 13 62.100 0.1 . . . . . . . 5 P CA . 50135 1 16 . 1 . 1 5 5 PRO CB C 13 30.509 0.1 . . . . . . . 5 P CB . 50135 1 17 . 1 . 1 5 5 PRO CG C 13 27.110 0.1 . . . . . . . 5 P CG . 50135 1 18 . 1 . 1 5 5 PRO CD C 13 51.300 0.1 . . . . . . . 5 P CD . 50135 1 19 . 1 . 1 5 5 PRO N N 15 135.600 0.1 . . . . . . . 5 P N . 50135 1 20 . 1 . 1 6 6 PHE C C 13 176.516 0.1 . . . . . . . 6 F C . 50135 1 21 . 1 . 1 6 6 PHE CA C 13 59.026 0.1 . . . . . . . 6 F CA . 50135 1 22 . 1 . 1 6 6 PHE CB C 13 36.967 0.1 . . . . . . . 6 F CB . 50135 1 23 . 1 . 1 6 6 PHE CG C 13 138.771 0.1 . . . . . . . 6 F CG . 50135 1 24 . 1 . 1 6 6 PHE N N 15 119.492 0.1 . . . . . . . 6 F N . 50135 1 25 . 1 . 1 7 7 SER C C 13 178.600 0.1 . . . . . . . 7 S C . 50135 1 26 . 1 . 1 7 7 SER CA C 13 62.180 0.1 . . . . . . . 7 S CA . 50135 1 27 . 1 . 1 7 7 SER CB C 13 62.852 0.1 . . . . . . . 7 S CB . 50135 1 28 . 1 . 1 7 7 SER N N 15 120.503 0.1 . . . . . . . 7 S N . 50135 1 29 . 1 . 1 8 8 PRO C C 13 176.006 0.1 . . . . . . . 8 P C . 50135 1 30 . 1 . 1 8 8 PRO CA C 13 63.530 0.1 . . . . . . . 8 P CA . 50135 1 31 . 1 . 1 8 8 PRO CB C 13 31.399 0.1 . . . . . . . 8 P CB . 50135 1 32 . 1 . 1 8 8 PRO CG C 13 27.312 0.1 . . . . . . . 8 P CG . 50135 1 33 . 1 . 1 8 8 PRO CD C 13 51.342 0.1 . . . . . . . 8 P CD . 50135 1 34 . 1 . 1 8 8 PRO N N 15 130.906 0.1 . . . . . . . 8 P N . 50135 1 35 . 1 . 1 9 9 HIS C C 13 177.294 0.1 . . . . . . . 9 H C . 50135 1 36 . 1 . 1 9 9 HIS CA C 13 55.722 0.1 . . . . . . . 9 H CA . 50135 1 37 . 1 . 1 9 9 HIS CB C 13 31.585 0.1 . . . . . . . 9 H CB . 50135 1 38 . 1 . 1 9 9 HIS CG C 13 132.712 0.1 . . . . . . . 9 H CG . 50135 1 39 . 1 . 1 9 9 HIS N N 15 119.996 0.1 . . . . . . . 9 H N . 50135 1 40 . 1 . 1 10 10 SER C C 13 177.301 0.1 . . . . . . . 10 S C . 50135 1 41 . 1 . 1 10 10 SER CA C 13 54.121 0.1 . . . . . . . 10 S CA . 50135 1 42 . 1 . 1 10 10 SER CB C 13 62.643 0.1 . . . . . . . 10 S CB . 50135 1 43 . 1 . 1 10 10 SER N N 15 118.199 0.1 . . . . . . . 10 S N . 50135 1 44 . 1 . 1 11 11 SER C C 13 174.679 0.1 . . . . . . . 11 S C . 50135 1 45 . 1 . 1 11 11 SER CA C 13 55.007 0.1 . . . . . . . 11 S CA . 50135 1 46 . 1 . 1 11 11 SER CB C 13 64.626 0.1 . . . . . . . 11 S CB . 50135 1 47 . 1 . 1 11 11 SER N N 15 125.099 0.1 . . . . . . . 11 S N . 50135 1 48 . 1 . 1 12 12 ASP C C 13 175.390 0.1 . . . . . . . 12 D C . 50135 1 49 . 1 . 1 12 12 ASP CA C 13 54.202 0.1 . . . . . . . 12 D CA . 50135 1 50 . 1 . 1 12 12 ASP CB C 13 41.920 0.1 . . . . . . . 12 D CB . 50135 1 51 . 1 . 1 12 12 ASP CG C 13 178.358 0.1 . . . . . . . 12 D CG . 50135 1 52 . 1 . 1 12 12 ASP N N 15 121.494 0.1 . . . . . . . 12 D N . 50135 1 53 . 1 . 1 13 13 SER C C 13 175.545 0.1 . . . . . . . 13 S C . 50135 1 54 . 1 . 1 13 13 SER CA C 13 61.621 0.1 . . . . . . . 13 S CA . 50135 1 55 . 1 . 1 13 13 SER CB C 13 61.106 0.1 . . . . . . . 13 S CB . 50135 1 56 . 1 . 1 13 13 SER N N 15 123.596 0.1 . . . . . . . 13 S N . 50135 1 57 . 1 . 1 14 14 PHE C C 13 175.602 0.1 . . . . . . . 14 F C . 50135 1 58 . 1 . 1 14 14 PHE CA C 13 59.912 0.1 . . . . . . . 14 F CA . 50135 1 59 . 1 . 1 14 14 PHE CB C 13 37.574 0.1 . . . . . . . 14 F CB . 50135 1 60 . 1 . 1 14 14 PHE CD1 C 13 140.309 0.1 . . . . . . . 14 F CD . 50135 1 61 . 1 . 1 14 14 PHE CD2 C 13 140.309 0.1 . . . . . . . 14 F CD . 50135 1 62 . 1 . 1 14 14 PHE N N 15 123.707 0.1 . . . . . . . 14 F N . 50135 1 63 . 1 . 1 15 15 ALA C C 13 178.968 0.1 . . . . . . . 15 A C . 50135 1 64 . 1 . 1 15 15 ALA CA C 13 55.013 0.1 . . . . . . . 15 A CA . 50135 1 65 . 1 . 1 15 15 ALA CB C 13 17.705 0.1 . . . . . . . 15 A CB . 50135 1 66 . 1 . 1 15 15 ALA N N 15 124.001 0.1 . . . . . . . 15 A N . 50135 1 67 . 1 . 1 16 16 GLN C C 13 174.658 0.1 . . . . . . . 16 Q C . 50135 1 68 . 1 . 1 16 16 GLN CA C 13 59.012 0.1 . . . . . . . 16 Q CA . 50135 1 69 . 1 . 1 16 16 GLN CB C 13 29.218 0.1 . . . . . . . 16 Q CB . 50135 1 70 . 1 . 1 16 16 GLN CG C 13 30.128 0.1 . . . . . . . 16 Q CG . 50135 1 71 . 1 . 1 16 16 GLN CD C 13 180.523 0.1 . . . . . . . 16 Q CD . 50135 1 72 . 1 . 1 16 16 GLN N N 15 119.996 0.1 . . . . . . . 16 Q N . 50135 1 73 . 1 . 1 17 17 ALA C C 13 176.565 0.1 . . . . . . . 17 A C . 50135 1 74 . 1 . 1 17 17 ALA CA C 13 51.438 0.1 . . . . . . . 17 A CA . 50135 1 75 . 1 . 1 17 17 ALA CB C 13 22.500 0.1 . . . . . . . 17 A CB . 50135 1 76 . 1 . 1 17 17 ALA N N 15 128.009 0.1 . . . . . . . 17 A N . 50135 1 77 . 1 . 1 18 18 ALA C C 13 180.376 0.1 . . . . . . . 18 A C . 50135 1 78 . 1 . 1 18 18 ALA CA C 13 55.703 0.1 . . . . . . . 18 A CA . 50135 1 79 . 1 . 1 18 18 ALA CB C 13 22.015 0.1 . . . . . . . 18 A CB . 50135 1 80 . 1 . 1 18 18 ALA N N 15 120.395 0.1 . . . . . . . 18 A N . 50135 1 81 . 1 . 1 19 19 SER CA C 13 63.405 0.1 . . . . . . . 19 S CA . 50135 1 82 . 1 . 1 19 19 SER CB C 13 62.360 0.1 . . . . . . . 19 S CB . 50135 1 83 . 1 . 1 19 19 SER N N 15 115.505 0.1 . . . . . . . 19 S N . 50135 1 84 . 1 . 1 20 20 PRO C C 13 175.750 0.1 . . . . . . . 20 P C . 50135 1 85 . 1 . 1 20 20 PRO CA C 13 63.719 0.1 . . . . . . . 20 P CA . 50135 1 86 . 1 . 1 20 20 PRO CB C 13 31.399 0.1 . . . . . . . 20 P CB . 50135 1 87 . 1 . 1 20 20 PRO CG C 13 27.231 0.1 . . . . . . . 20 P CG . 50135 1 88 . 1 . 1 20 20 PRO CD C 13 51.307 0.1 . . . . . . . 20 P CD . 50135 1 89 . 1 . 1 20 20 PRO N N 15 130.790 0.1 . . . . . . . 20 P N . 50135 1 90 . 1 . 1 21 21 ALA C C 13 178.993 0.1 . . . . . . . 21 A C . 50135 1 91 . 1 . 1 21 21 ALA CA C 13 55.726 0.1 . . . . . . . 21 A CA . 50135 1 92 . 1 . 1 21 21 ALA CB C 13 18.251 0.1 . . . . . . . 21 A CB . 50135 1 93 . 1 . 1 21 21 ALA N N 15 123.098 0.1 . . . . . . . 21 A N . 50135 1 94 . 1 . 1 22 22 ARG C C 13 175.365 0.1 . . . . . . . 22 R C . 50135 1 95 . 1 . 1 22 22 ARG CA C 13 55.422 0.1 . . . . . . . 22 R CA . 50135 1 96 . 1 . 1 22 22 ARG CB C 13 31.828 0.1 . . . . . . . 22 R CB . 50135 1 97 . 1 . 1 22 22 ARG CG C 13 25.839 0.1 . . . . . . . 22 R CG . 50135 1 98 . 1 . 1 22 22 ARG CD C 13 43.900 0.1 . . . . . . . 22 R CD . 50135 1 99 . 1 . 1 22 22 ARG N N 15 117.396 0.1 . . . . . . . 22 R N . 50135 1 100 . 1 . 1 23 23 LYS CA C 13 57.407 0.1 . . . . . . . 23 K CA . 50135 1 101 . 1 . 1 23 23 LYS CB C 13 32.419 0.1 . . . . . . . 23 K CB . 50135 1 102 . 1 . 1 23 23 LYS CG C 13 28.008 0.1 . . . . . . . 23 K CG . 50135 1 103 . 1 . 1 23 23 LYS N N 15 117.502 0.1 . . . . . . . 23 K N . 50135 1 104 . 1 . 1 24 24 PRO C C 13 173.149 0.1 . . . . . . . 24 P C . 50135 1 105 . 1 . 1 24 24 PRO CA C 13 61.841 0.1 . . . . . . . 24 P CA . 50135 1 106 . 1 . 1 24 24 PRO CD C 13 50.900 0.1 . . . . . . . 24 P CD . 50135 1 107 . 1 . 1 24 24 PRO N N 15 138.058 0.1 . . . . . . . 24 P N . 50135 1 108 . 1 . 1 25 25 PRO C C 13 173.801 0.1 . . . . . . . 25 P C . 50135 1 109 . 1 . 1 25 25 PRO CA C 13 61.881 0.1 . . . . . . . 25 P CA . 50135 1 110 . 1 . 1 25 25 PRO CB C 13 30.468 0.1 . . . . . . . 25 P CB . 50135 1 111 . 1 . 1 25 25 PRO CG C 13 28.121 0.1 . . . . . . . 25 P CG . 50135 1 112 . 1 . 1 25 25 PRO CD C 13 49.810 0.1 . . . . . . . 25 P CD . 50135 1 113 . 1 . 1 25 25 PRO N N 15 133.900 0.1 . . . . . . . 25 P N . 50135 1 114 . 1 . 1 26 26 ARG C C 13 177.269 0.1 . . . . . . . 26 R C . 50135 1 115 . 1 . 1 26 26 ARG CA C 13 54.030 0.1 . . . . . . . 26 R CA . 50135 1 116 . 1 . 1 26 26 ARG CB C 13 31.642 0.1 . . . . . . . 26 R CB . 50135 1 117 . 1 . 1 26 26 ARG CG C 13 27.341 0.1 . . . . . . . 26 R CG . 50135 1 118 . 1 . 1 26 26 ARG CD C 13 41.700 0.1 . . . . . . . 26 R CD . 50135 1 119 . 1 . 1 26 26 ARG N N 15 126.700 0.1 . . . . . . . 26 R N . 50135 1 120 . 1 . 1 27 27 GLY C C 13 176.994 0.1 . . . . . . . 27 G C . 50135 1 121 . 1 . 1 27 27 GLY CA C 13 47.642 0.1 . . . . . . . 27 G CA . 50135 1 122 . 1 . 1 27 27 GLY N N 15 106.499 0.1 . . . . . . . 27 G N . 50135 1 123 . 1 . 1 28 28 GLY C C 13 175.734 0.1 . . . . . . . 28 G C . 50135 1 124 . 1 . 1 28 28 GLY CA C 13 47.635 0.1 . . . . . . . 28 G CA . 50135 1 125 . 1 . 1 28 28 GLY N N 15 107.791 0.1 . . . . . . . 28 G N . 50135 1 126 . 1 . 1 29 29 ARG C C 13 176.269 0.1 . . . . . . . 29 R C . 50135 1 127 . 1 . 1 29 29 ARG CA C 13 58.812 0.1 . . . . . . . 29 R CA . 50135 1 128 . 1 . 1 29 29 ARG CB C 13 32.824 0.1 . . . . . . . 29 R CB . 50135 1 129 . 1 . 1 29 29 ARG CG C 13 27.336 0.1 . . . . . . . 29 R CG . 50135 1 130 . 1 . 1 29 29 ARG CD C 13 42.693 0.1 . . . . . . . 29 R CD . 50135 1 131 . 1 . 1 29 29 ARG N N 15 124.994 0.1 . . . . . . . 29 R N . 50135 1 132 . 1 . 1 30 30 ARG C C 13 176.115 0.1 . . . . . . . 30 R C . 50135 1 133 . 1 . 1 30 30 ARG CA C 13 58.408 0.1 . . . . . . . 30 R CA . 50135 1 134 . 1 . 1 30 30 ARG CB C 13 32.334 0.1 . . . . . . . 30 R CB . 50135 1 135 . 1 . 1 30 30 ARG CG C 13 27.255 0.1 . . . . . . . 30 R CG . 50135 1 136 . 1 . 1 30 30 ARG CD C 13 43.500 0.1 . . . . . . . 30 R CD . 50135 1 137 . 1 . 1 30 30 ARG N N 15 117.597 0.1 . . . . . . . 30 R N . 50135 1 138 . 1 . 1 31 31 ILE C C 13 176.612 0.1 . . . . . . . 31 I C . 50135 1 139 . 1 . 1 31 31 ILE CA C 13 58.900 0.1 . . . . . . . 31 I CA . 50135 1 140 . 1 . 1 31 31 ILE CB C 13 40.731 0.1 . . . . . . . 31 I CB . 50135 1 141 . 1 . 1 31 31 ILE CG1 C 13 27.640 0.1 . . . . . . . 31 I CG1 . 50135 1 142 . 1 . 1 31 31 ILE CG2 C 13 17.277 0.1 . . . . . . . 31 I CG2 . 50135 1 143 . 1 . 1 31 31 ILE CD1 C 13 14.720 0.1 . . . . . . . 31 I CD . 50135 1 144 . 1 . 1 31 31 ILE N N 15 125.296 0.1 . . . . . . . 31 I N . 50135 1 145 . 1 . 1 32 32 TRP C C 13 177.719 0.1 . . . . . . . 32 W C . 50135 1 146 . 1 . 1 32 32 TRP CA C 13 56.667 0.1 . . . . . . . 32 W CA . 50135 1 147 . 1 . 1 32 32 TRP CB C 13 29.501 0.1 . . . . . . . 32 W CB . 50135 1 148 . 1 . 1 32 32 TRP CG C 13 111.304 0.1 . . . . . . . 32 W CG . 50135 1 149 . 1 . 1 32 32 TRP N N 15 119.800 0.1 . . . . . . . 32 W N . 50135 1 150 . 1 . 1 33 33 SER C C 13 176.200 0.1 . . . . . . . 33 S C . 50135 1 151 . 1 . 1 33 33 SER CA C 13 57.711 0.1 . . . . . . . 33 S CA . 50135 1 152 . 1 . 1 33 33 SER CB C 13 67.460 0.1 . . . . . . . 33 S CB . 50135 1 153 . 1 . 1 33 33 SER N N 15 121.389 0.1 . . . . . . . 33 S N . 50135 1 154 . 1 . 1 34 34 GLY C C 13 172.699 0.1 . . . . . . . 34 G C . 50135 1 155 . 1 . 1 34 34 GLY CA C 13 43.910 0.1 . . . . . . . 34 G CA . 50135 1 156 . 1 . 1 34 34 GLY N N 15 110.206 0.1 . . . . . . . 34 G N . 50135 1 157 . 1 . 1 35 35 THR C C 13 174.529 0.1 . . . . . . . 35 T C . 50135 1 158 . 1 . 1 35 35 THR CA C 13 62.231 0.1 . . . . . . . 35 T CA . 50135 1 159 . 1 . 1 35 35 THR CB C 13 71.485 0.1 . . . . . . . 35 T CB . 50135 1 160 . 1 . 1 35 35 THR CG2 C 13 21.590 0.1 . . . . . . . 35 T CG . 50135 1 161 . 1 . 1 35 35 THR N N 15 120.694 0.1 . . . . . . . 35 T N . 50135 1 162 . 1 . 1 36 36 ARG C C 13 178.445 0.1 . . . . . . . 36 R C . 50135 1 163 . 1 . 1 36 36 ARG CA C 13 59.413 0.1 . . . . . . . 36 R CA . 50135 1 164 . 1 . 1 36 36 ARG CB C 13 29.906 0.1 . . . . . . . 36 R CB . 50135 1 165 . 1 . 1 36 36 ARG CG C 13 28.469 0.1 . . . . . . . 36 R CG . 50135 1 166 . 1 . 1 36 36 ARG CD C 13 41.621 0.1 . . . . . . . 36 R CD . 50135 1 167 . 1 . 1 36 36 ARG N N 15 116.000 0.1 . . . . . . . 36 R N . 50135 1 168 . 1 . 1 37 37 GLU C C 13 173.814 0.1 . . . . . . . 37 E C . 50135 1 169 . 1 . 1 37 37 GLU CA C 13 55.442 0.1 . . . . . . . 37 E CA . 50135 1 170 . 1 . 1 37 37 GLU CB C 13 33.609 0.1 . . . . . . . 37 E CB . 50135 1 171 . 1 . 1 37 37 GLU CG C 13 37.756 0.1 . . . . . . . 37 E CG . 50135 1 172 . 1 . 1 37 37 GLU CD C 13 183.847 0.1 . . . . . . . 37 E CD . 50135 1 173 . 1 . 1 37 37 GLU N N 15 120.000 0.1 . . . . . . . 37 E N . 50135 1 174 . 1 . 1 38 38 VAL C C 13 178.204 0.1 . . . . . . . 38 V C . 50135 1 175 . 1 . 1 38 38 VAL CA C 13 66.560 0.1 . . . . . . . 38 V CA . 50135 1 176 . 1 . 1 38 38 VAL CB C 13 31.165 0.1 . . . . . . . 38 V CB . 50135 1 177 . 1 . 1 38 38 VAL CG1 C 13 23.634 0.1 . . . . . . . 38 V CG1 . 50135 1 178 . 1 . 1 38 38 VAL CG2 C 13 21.691 0.1 . . . . . . . 38 V CG2 . 50135 1 179 . 1 . 1 38 38 VAL N N 15 120.000 0.1 . . . . . . . 38 V N . 50135 1 180 . 1 . 1 39 39 ILE C C 13 177.821 0.1 . . . . . . . 39 I C . 50135 1 181 . 1 . 1 39 39 ILE CA C 13 66.609 0.1 . . . . . . . 39 I CA . 50135 1 182 . 1 . 1 39 39 ILE CB C 13 38.404 0.1 . . . . . . . 39 I CB . 50135 1 183 . 1 . 1 39 39 ILE CG1 C 13 29.497 0.1 . . . . . . . 39 I CG1 . 50135 1 184 . 1 . 1 39 39 ILE CG2 C 13 18.200 0.1 . . . . . . . 39 I CG2 . 50135 1 185 . 1 . 1 39 39 ILE CD1 C 13 14.200 0.1 . . . . . . . 39 I CD . 50135 1 186 . 1 . 1 39 39 ILE N N 15 119.204 0.1 . . . . . . . 39 I N . 50135 1 187 . 1 . 1 40 40 ALA C C 13 178.596 0.1 . . . . . . . 40 A C . 50135 1 188 . 1 . 1 40 40 ALA CA C 13 55.524 0.1 . . . . . . . 40 A CA . 50135 1 189 . 1 . 1 40 40 ALA CB C 13 18.312 0.1 . . . . . . . 40 A CB . 50135 1 190 . 1 . 1 40 40 ALA N N 15 117.998 0.1 . . . . . . . 40 A N . 50135 1 191 . 1 . 1 41 41 TYR C C 13 178.485 0.1 . . . . . . . 41 Y C . 50135 1 192 . 1 . 1 41 41 TYR CA C 13 58.728 0.1 . . . . . . . 41 Y CA . 50135 1 193 . 1 . 1 41 41 TYR CB C 13 38.611 0.1 . . . . . . . 41 Y CB . 50135 1 194 . 1 . 1 41 41 TYR CG C 13 134.765 0.1 . . . . . . . 41 Y CG . 50135 1 195 . 1 . 1 41 41 TYR N N 15 122.604 0.1 . . . . . . . 41 Y N . 50135 1 196 . 1 . 1 42 42 GLY C C 13 174.409 0.1 . . . . . . . 42 G C . 50135 1 197 . 1 . 1 42 42 GLY CA C 13 47.208 0.1 . . . . . . . 42 G CA . 50135 1 198 . 1 . 1 42 42 GLY N N 15 107.030 0.1 . . . . . . . 42 G N . 50135 1 199 . 1 . 1 43 43 MET C C 13 176.893 0.1 . . . . . . . 43 M C . 50135 1 200 . 1 . 1 43 43 MET CA C 13 55.296 0.1 . . . . . . . 43 M CA . 50135 1 201 . 1 . 1 43 43 MET CB C 13 34.200 0.1 . . . . . . . 43 M CB . 50135 1 202 . 1 . 1 43 43 MET CG C 13 31.286 0.1 . . . . . . . 43 M CG . 50135 1 203 . 1 . 1 43 43 MET CE C 13 17.284 0.1 . . . . . . . 43 M CE . 50135 1 204 . 1 . 1 43 43 MET N N 15 120.795 0.1 . . . . . . . 43 M N . 50135 1 205 . 1 . 1 44 44 PRO C C 13 175.392 0.1 . . . . . . . 44 P C . 50135 1 206 . 1 . 1 44 44 PRO CA C 13 64.202 0.1 . . . . . . . 44 P CA . 50135 1 207 . 1 . 1 44 44 PRO CB C 13 28.121 0.1 . . . . . . . 44 P CB . 50135 1 208 . 1 . 1 44 44 PRO CG C 13 26.624 0.1 . . . . . . . 44 P CG . 50135 1 209 . 1 . 1 44 44 PRO CD C 13 50.417 0.1 . . . . . . . 44 P CD . 50135 1 210 . 1 . 1 44 44 PRO N N 15 138.867 0.1 . . . . . . . 44 P N . 50135 1 211 . 1 . 1 45 45 ALA C C 13 180.992 0.1 . . . . . . . 45 A C . 50135 1 212 . 1 . 1 45 45 ALA CA C 13 55.212 0.1 . . . . . . . 45 A CA . 50135 1 213 . 1 . 1 45 45 ALA CB C 13 18.191 0.1 . . . . . . . 45 A CB . 50135 1 214 . 1 . 1 45 45 ALA N N 15 122.603 0.1 . . . . . . . 45 A N . 50135 1 215 . 1 . 1 46 46 SER C C 13 176.501 0.1 . . . . . . . 46 S C . 50135 1 216 . 1 . 1 46 46 SER CA C 13 62.259 0.1 . . . . . . . 46 S CA . 50135 1 217 . 1 . 1 46 46 SER CB C 13 63.229 0.1 . . . . . . . 46 S CB . 50135 1 218 . 1 . 1 46 46 SER N N 15 120.582 0.1 . . . . . . . 46 S N . 50135 1 219 . 1 . 1 47 47 VAL C C 13 178.086 0.1 . . . . . . . 47 V C . 50135 1 220 . 1 . 1 47 47 VAL CA C 13 66.720 0.1 . . . . . . . 47 V CA . 50135 1 221 . 1 . 1 47 47 VAL CB C 13 31.504 0.1 . . . . . . . 47 V CB . 50135 1 222 . 1 . 1 47 47 VAL CG1 C 13 23.188 0.1 . . . . . . . 47 V CG1 . 50135 1 223 . 1 . 1 47 47 VAL CG2 C 13 21.529 0.1 . . . . . . . 47 V CG2 . 50135 1 224 . 1 . 1 47 47 VAL N N 15 123.004 0.1 . . . . . . . 47 V N . 50135 1 225 . 1 . 1 48 48 TRP C C 13 178.002 0.1 . . . . . . . 48 W C . 50135 1 226 . 1 . 1 48 48 TRP CA C 13 59.488 0.1 . . . . . . . 48 W CA . 50135 1 227 . 1 . 1 48 48 TRP CB C 13 30.068 0.1 . . . . . . . 48 W CB . 50135 1 228 . 1 . 1 48 48 TRP CG C 13 110.718 0.1 . . . . . . . 48 W CG . 50135 1 229 . 1 . 1 48 48 TRP N N 15 119.649 0.1 . . . . . . . 48 W N . 50135 1 230 . 1 . 1 49 49 ARG C C 13 178.103 0.1 . . . . . . . 49 R C . 50135 1 231 . 1 . 1 49 49 ARG CA C 13 58.134 0.1 . . . . . . . 49 R CA . 50135 1 232 . 1 . 1 49 49 ARG CB C 13 27.239 0.1 . . . . . . . 49 R CB . 50135 1 233 . 1 . 1 49 49 ARG CG C 13 28.302 0.1 . . . . . . . 49 R CG . 50135 1 234 . 1 . 1 49 49 ARG CD C 13 41.105 0.1 . . . . . . . 49 R CD . 50135 1 235 . 1 . 1 49 49 ARG N N 15 120.695 0.1 . . . . . . . 49 R N . 50135 1 236 . 1 . 1 50 50 ASP C C 13 177.233 0.1 . . . . . . . 50 D C . 50135 1 237 . 1 . 1 50 50 ASP CA C 13 56.323 0.1 . . . . . . . 50 D CA . 50135 1 238 . 1 . 1 50 50 ASP CB C 13 37.599 0.1 . . . . . . . 50 D CB . 50135 1 239 . 1 . 1 50 50 ASP CG C 13 179.005 0.1 . . . . . . . 50 D CG . 50135 1 240 . 1 . 1 50 50 ASP N N 15 120.194 0.1 . . . . . . . 50 D N . 50135 1 241 . 1 . 1 51 51 LEU C C 13 178.013 0.1 . . . . . . . 51 L C . 50135 1 242 . 1 . 1 51 51 LEU CA C 13 57.990 0.1 . . . . . . . 51 L CA . 50135 1 243 . 1 . 1 51 51 LEU CB C 13 41.540 0.1 . . . . . . . 51 L CB . 50135 1 244 . 1 . 1 51 51 LEU CG C 13 26.426 0.1 . . . . . . . 51 L CG . 50135 1 245 . 1 . 1 51 51 LEU CD1 C 13 23.330 0.1 . . . . . . . 51 L CD1 . 50135 1 246 . 1 . 1 51 51 LEU CD2 C 13 22.784 0.1 . . . . . . . 51 L CD2 . 50135 1 247 . 1 . 1 51 51 LEU N N 15 116.005 0.1 . . . . . . . 51 L N . 50135 1 248 . 1 . 1 52 52 TYR C C 13 175.089 0.1 . . . . . . . 52 Y C . 50135 1 249 . 1 . 1 52 52 TYR CA C 13 61.527 0.1 . . . . . . . 52 Y CA . 50135 1 250 . 1 . 1 52 52 TYR CB C 13 37.593 0.1 . . . . . . . 52 Y CB . 50135 1 251 . 1 . 1 52 52 TYR CG C 13 131.497 0.1 . . . . . . . 52 Y CG . 50135 1 252 . 1 . 1 52 52 TYR N N 15 120.005 0.1 . . . . . . . 52 Y N . 50135 1 253 . 1 . 1 53 53 TYR C C 13 178.110 0.1 . . . . . . . 53 Y C . 50135 1 254 . 1 . 1 53 53 TYR CA C 13 62.201 0.1 . . . . . . . 53 Y CA . 50135 1 255 . 1 . 1 53 53 TYR CB C 13 37.473 0.1 . . . . . . . 53 Y CB . 50135 1 256 . 1 . 1 53 53 TYR CG C 13 132.200 0.1 . . . . . . . 53 Y CG . 50135 1 257 . 1 . 1 53 53 TYR N N 15 120.255 0.1 . . . . . . . 53 Y N . 50135 1 258 . 1 . 1 54 54 TRP C C 13 177.009 0.1 . . . . . . . 54 W C . 50135 1 259 . 1 . 1 54 54 TRP CA C 13 61.824 0.1 . . . . . . . 54 W CA . 50135 1 260 . 1 . 1 54 54 TRP CB C 13 29.020 0.1 . . . . . . . 54 W CB . 50135 1 261 . 1 . 1 54 54 TRP CG C 13 111.293 0.1 . . . . . . . 54 W CG . 50135 1 262 . 1 . 1 54 54 TRP N N 15 121.202 0.1 . . . . . . . 54 W N . 50135 1 263 . 1 . 1 55 55 ALA C C 13 179.041 0.1 . . . . . . . 55 A C . 50135 1 264 . 1 . 1 55 55 ALA CA C 13 55.711 0.1 . . . . . . . 55 A CA . 50135 1 265 . 1 . 1 55 55 ALA CB C 13 18.316 0.1 . . . . . . . 55 A CB . 50135 1 266 . 1 . 1 55 55 ALA N N 15 120.992 0.1 . . . . . . . 55 A N . 50135 1 267 . 1 . 1 56 56 LEU C C 13 178.018 0.1 . . . . . . . 56 L C . 50135 1 268 . 1 . 1 56 56 LEU CA C 13 57.791 0.1 . . . . . . . 56 L CA . 50135 1 269 . 1 . 1 56 56 LEU CB C 13 41.580 0.1 . . . . . . . 56 L CB . 50135 1 270 . 1 . 1 56 56 LEU CG C 13 26.992 0.1 . . . . . . . 56 L CG . 50135 1 271 . 1 . 1 56 56 LEU CD1 C 13 24.241 0.1 . . . . . . . 56 L CD1 . 50135 1 272 . 1 . 1 56 56 LEU CD2 C 13 22.844 0.1 . . . . . . . 56 L CD2 . 50135 1 273 . 1 . 1 56 56 LEU N N 15 118.498 0.1 . . . . . . . 56 L N . 50135 1 274 . 1 . 1 57 57 LYS C C 13 176.578 0.1 . . . . . . . 57 K C . 50135 1 275 . 1 . 1 57 57 LYS CA C 13 57.808 0.1 . . . . . . . 57 K CA . 50135 1 276 . 1 . 1 57 57 LYS CB C 13 31.605 0.1 . . . . . . . 57 K CB . 50135 1 277 . 1 . 1 57 57 LYS CG C 13 26.851 0.1 . . . . . . . 57 K CG . 50135 1 278 . 1 . 1 57 57 LYS CD C 13 29.663 0.1 . . . . . . . 57 K CD . 50135 1 279 . 1 . 1 57 57 LYS N N 15 119.996 0.1 . . . . . . . 57 K N . 50135 1 280 . 1 . 1 58 58 VAL C C 13 177.381 0.1 . . . . . . . 58 V C . 50135 1 281 . 1 . 1 58 58 VAL CA C 13 67.400 0.1 . . . . . . . 58 V CA . 50135 1 282 . 1 . 1 58 58 VAL CB C 13 31.484 0.1 . . . . . . . 58 V CB . 50135 1 283 . 1 . 1 58 58 VAL CG1 C 13 23.431 0.1 . . . . . . . 58 V CG1 . 50135 1 284 . 1 . 1 58 58 VAL CG2 C 13 22.035 0.1 . . . . . . . 58 V CG2 . 50135 1 285 . 1 . 1 58 58 VAL N N 15 120.200 0.1 . . . . . . . 58 V N . 50135 1 286 . 1 . 1 59 59 SER C C 13 178.600 0.1 . . . . . . . 59 S C . 50135 1 287 . 1 . 1 59 59 SER CA C 13 61.492 0.1 . . . . . . . 59 S CA . 50135 1 288 . 1 . 1 59 59 SER CB C 13 62.482 0.1 . . . . . . . 59 S CB . 50135 1 289 . 1 . 1 59 59 SER N N 15 117.111 0.1 . . . . . . . 59 S N . 50135 1 290 . 1 . 1 60 60 TRP C C 13 176.900 0.1 . . . . . . . 60 W C . 50135 1 291 . 1 . 1 60 60 TRP CA C 13 59.300 0.1 . . . . . . . 60 W CA . 50135 1 292 . 1 . 1 60 60 TRP CG C 13 105.800 0.1 . . . . . . . 60 W CG . 50135 1 293 . 1 . 1 60 60 TRP N N 15 123.600 0.1 . . . . . . . 60 W N . 50135 1 294 . 1 . 1 61 61 PRO C C 13 175.700 0.1 . . . . . . . 61 P C . 50135 1 295 . 1 . 1 61 61 PRO CA C 13 64.000 0.1 . . . . . . . 61 P CA . 50135 1 296 . 1 . 1 61 61 PRO CB C 13 32.200 0.1 . . . . . . . 61 P CB . 50135 1 297 . 1 . 1 61 61 PRO CG C 13 27.000 0.1 . . . . . . . 61 P CG . 50135 1 298 . 1 . 1 61 61 PRO CD C 13 50.200 0.1 . . . . . . . 61 P CD . 50135 1 299 . 1 . 1 61 61 PRO N N 15 138.700 0.1 . . . . . . . 61 P N . 50135 1 300 . 1 . 1 62 62 VAL C C 13 177.300 0.1 . . . . . . . 62 V C . 50135 1 301 . 1 . 1 62 62 VAL CA C 13 68.200 0.1 . . . . . . . 62 V CA . 50135 1 302 . 1 . 1 62 62 VAL CB C 13 31.300 0.1 . . . . . . . 62 V CB . 50135 1 303 . 1 . 1 62 62 VAL N N 15 120.000 0.1 . . . . . . . 62 V N . 50135 1 304 . 1 . 1 63 63 PHE C C 13 176.300 0.1 . . . . . . . 63 F C . 50135 1 305 . 1 . 1 63 63 PHE CA C 13 62.700 0.1 . . . . . . . 63 F CA . 50135 1 306 . 1 . 1 63 63 PHE N N 15 120.140 0.1 . . . . . . . 63 F N . 50135 1 307 . 1 . 1 64 64 PHE C C 13 176.300 0.1 . . . . . . . 64 F C . 50135 1 308 . 1 . 1 64 64 PHE CA C 13 62.700 0.1 . . . . . . . 64 F CA . 50135 1 309 . 1 . 1 64 64 PHE CB C 13 39.800 0.1 . . . . . . . 64 F CB . 50135 1 310 . 1 . 1 64 64 PHE N N 15 123.600 0.1 . . . . . . . 64 F N . 50135 1 311 . 1 . 1 65 65 ALA C C 13 179.100 0.1 . . . . . . . 65 A C . 50135 1 312 . 1 . 1 65 65 ALA CA C 13 55.700 0.1 . . . . . . . 65 A CA . 50135 1 313 . 1 . 1 65 65 ALA CB C 13 18.300 0.1 . . . . . . . 65 A CB . 50135 1 314 . 1 . 1 65 65 ALA N N 15 118.000 0.1 . . . . . . . 65 A N . 50135 1 315 . 1 . 1 66 66 SER C C 13 176.300 0.1 . . . . . . . 66 S C . 50135 1 316 . 1 . 1 66 66 SER CA C 13 63.100 0.1 . . . . . . . 66 S CA . 50135 1 317 . 1 . 1 66 66 SER CB C 13 62.500 0.1 . . . . . . . 66 S CB . 50135 1 318 . 1 . 1 66 66 SER N N 15 115.400 0.1 . . . . . . . 66 S N . 50135 1 319 . 1 . 1 67 67 LEU C C 13 179.400 0.1 . . . . . . . 67 L C . 50135 1 320 . 1 . 1 67 67 LEU CA C 13 58.000 0.1 . . . . . . . 67 L CA . 50135 1 321 . 1 . 1 67 67 LEU CB C 13 42.000 0.1 . . . . . . . 67 L CB . 50135 1 322 . 1 . 1 67 67 LEU CG C 13 27.200 0.1 . . . . . . . 67 L CG . 50135 1 323 . 1 . 1 67 67 LEU CD1 C 13 24.000 0.1 . . . . . . . 67 L CD1 . 50135 1 324 . 1 . 1 67 67 LEU CD2 C 13 22.100 0.1 . . . . . . . 67 L CD2 . 50135 1 325 . 1 . 1 67 67 LEU N N 15 122.400 0.1 . . . . . . . 67 L N . 50135 1 326 . 1 . 1 68 68 ALA C C 13 178.600 0.1 . . . . . . . 68 A C . 50135 1 327 . 1 . 1 68 68 ALA CA C 13 55.700 0.1 . . . . . . . 68 A CA . 50135 1 328 . 1 . 1 68 68 ALA CB C 13 18.400 0.1 . . . . . . . 68 A CB . 50135 1 329 . 1 . 1 68 68 ALA N N 15 123.100 0.1 . . . . . . . 68 A N . 50135 1 330 . 1 . 1 69 69 ALA C C 13 177.300 0.1 . . . . . . . 69 A C . 50135 1 331 . 1 . 1 69 69 ALA CA C 13 55.800 0.1 . . . . . . . 69 A CA . 50135 1 332 . 1 . 1 69 69 ALA CB C 13 18.200 0.1 . . . . . . . 69 A CB . 50135 1 333 . 1 . 1 69 69 ALA N N 15 123.200 0.1 . . . . . . . 69 A N . 50135 1 334 . 1 . 1 70 70 LEU C C 13 177.900 0.1 . . . . . . . 70 L C . 50135 1 335 . 1 . 1 70 70 LEU CA C 13 57.800 0.1 . . . . . . . 70 L CA . 50135 1 336 . 1 . 1 70 70 LEU CB C 13 41.700 0.1 . . . . . . . 70 L CB . 50135 1 337 . 1 . 1 70 70 LEU CG C 13 27.200 0.1 . . . . . . . 70 L CG . 50135 1 338 . 1 . 1 70 70 LEU CD1 C 13 23.700 0.1 . . . . . . . 70 L CD1 . 50135 1 339 . 1 . 1 70 70 LEU CD2 C 13 21.500 0.1 . . . . . . . 70 L CD2 . 50135 1 340 . 1 . 1 70 70 LEU N N 15 120.800 0.1 . . . . . . . 70 L N . 50135 1 341 . 1 . 1 71 71 PHE C C 13 178.400 0.1 . . . . . . . 71 F C . 50135 1 342 . 1 . 1 71 71 PHE CA C 13 62.300 0.1 . . . . . . . 71 F CA . 50135 1 343 . 1 . 1 71 71 PHE CB C 13 37.500 0.1 . . . . . . . 71 F CB . 50135 1 344 . 1 . 1 71 71 PHE CG C 13 139.700 0.1 . . . . . . . 71 F CG . 50135 1 345 . 1 . 1 71 71 PHE CD1 C 13 131.400 0.1 . . . . . . . 71 F CD . 50135 1 346 . 1 . 1 71 71 PHE CD2 C 13 131.400 0.1 . . . . . . . 71 F CD . 50135 1 347 . 1 . 1 71 71 PHE N N 15 120.000 0.1 . . . . . . . 71 F N . 50135 1 348 . 1 . 1 72 72 VAL C C 13 177.500 0.1 . . . . . . . 72 V C . 50135 1 349 . 1 . 1 72 72 VAL CA C 13 67.800 0.1 . . . . . . . 72 V CA . 50135 1 350 . 1 . 1 72 72 VAL CB C 13 31.450 0.1 . . . . . . . 72 V CB . 50135 1 351 . 1 . 1 72 72 VAL CG1 C 13 24.000 0.1 . . . . . . . 72 V CG1 . 50135 1 352 . 1 . 1 72 72 VAL CG2 C 13 22.000 0.1 . . . . . . . 72 V CG2 . 50135 1 353 . 1 . 1 72 72 VAL N N 15 123.400 0.1 . . . . . . . 72 V N . 50135 1 354 . 1 . 1 73 73 VAL C C 13 177.400 0.1 . . . . . . . 73 V C . 50135 1 355 . 1 . 1 73 73 VAL CA C 13 67.800 0.1 . . . . . . . 73 V CA . 50135 1 356 . 1 . 1 73 73 VAL CB C 13 31.300 0.1 . . . . . . . 73 V CB . 50135 1 357 . 1 . 1 73 73 VAL CG1 C 13 23.700 0.1 . . . . . . . 73 V CG1 . 50135 1 358 . 1 . 1 73 73 VAL CG2 C 13 21.700 0.1 . . . . . . . 73 V CG2 . 50135 1 359 . 1 . 1 73 73 VAL N N 15 120.400 0.1 . . . . . . . 73 V N . 50135 1 360 . 1 . 1 74 74 ASN C C 13 176.400 0.1 . . . . . . . 74 N C . 50135 1 361 . 1 . 1 74 74 ASN CA C 13 58.400 0.1 . . . . . . . 74 N CA . 50135 1 362 . 1 . 1 74 74 ASN CB C 13 37.600 0.1 . . . . . . . 74 N CB . 50135 1 363 . 1 . 1 74 74 ASN N N 15 121.000 0.1 . . . . . . . 74 N N . 50135 1 364 . 1 . 1 75 75 ASN C C 13 178.700 0.1 . . . . . . . 75 N C . 50135 1 365 . 1 . 1 75 75 ASN CA C 13 55.700 0.1 . . . . . . . 75 N CA . 50135 1 366 . 1 . 1 75 75 ASN CB C 13 37.000 0.1 . . . . . . . 75 N CB . 50135 1 367 . 1 . 1 75 75 ASN N N 15 119.500 0.1 . . . . . . . 75 N N . 50135 1 368 . 1 . 1 76 76 THR C C 13 175.500 0.1 . . . . . . . 76 T C . 50135 1 369 . 1 . 1 76 76 THR CA C 13 66.600 0.1 . . . . . . . 76 T CA . 50135 1 370 . 1 . 1 76 76 THR CB C 13 68.900 0.1 . . . . . . . 76 T CB . 50135 1 371 . 1 . 1 76 76 THR CG2 C 13 21.600 0.1 . . . . . . . 76 T CG2 . 50135 1 372 . 1 . 1 76 76 THR N N 15 117.300 0.1 . . . . . . . 76 T N . 50135 1 373 . 1 . 1 77 77 LEU C C 13 178.000 0.1 . . . . . . . 77 L C . 50135 1 374 . 1 . 1 77 77 LEU CA C 13 58.300 0.1 . . . . . . . 77 L CA . 50135 1 375 . 1 . 1 77 77 LEU CB C 13 41.600 0.1 . . . . . . . 77 L CB . 50135 1 376 . 1 . 1 77 77 LEU CG C 13 26.600 0.1 . . . . . . . 77 L CG . 50135 1 377 . 1 . 1 77 77 LEU CD1 C 13 23.600 0.1 . . . . . . . 77 L CD1 . 50135 1 378 . 1 . 1 77 77 LEU CD2 C 13 22.500 0.1 . . . . . . . 77 L CD2 . 50135 1 379 . 1 . 1 77 77 LEU N N 15 124.100 0.1 . . . . . . . 77 L N . 50135 1 380 . 1 . 1 78 78 PHE C C 13 176.200 0.1 . . . . . . . 78 F C . 50135 1 381 . 1 . 1 78 78 PHE CA C 13 60.100 0.1 . . . . . . . 78 F CA . 50135 1 382 . 1 . 1 78 78 PHE CB C 13 39.900 0.1 . . . . . . . 78 F CB . 50135 1 383 . 1 . 1 78 78 PHE CG C 13 137.600 0.1 . . . . . . . 78 F CG . 50135 1 384 . 1 . 1 78 78 PHE N N 15 119.300 0.1 . . . . . . . 78 F N . 50135 1 385 . 1 . 1 79 79 ALA C C 13 179.400 0.1 . . . . . . . 79 A C . 50135 1 386 . 1 . 1 79 79 ALA CA C 13 55.500 0.1 . . . . . . . 79 A CA . 50135 1 387 . 1 . 1 79 79 ALA CB C 13 18.300 0.1 . . . . . . . 79 A CB . 50135 1 388 . 1 . 1 79 79 ALA N N 15 121.400 0.1 . . . . . . . 79 A N . 50135 1 389 . 1 . 1 80 80 LEU C C 13 178.200 0.1 . . . . . . . 80 L C . 50135 1 390 . 1 . 1 80 80 LEU CA C 13 57.800 0.1 . . . . . . . 80 L CA . 50135 1 391 . 1 . 1 80 80 LEU CB C 13 42.300 0.1 . . . . . . . 80 L CB . 50135 1 392 . 1 . 1 80 80 LEU CG C 13 26.800 0.1 . . . . . . . 80 L CG . 50135 1 393 . 1 . 1 80 80 LEU CD1 C 13 23.700 0.1 . . . . . . . 80 L CD1 . 50135 1 394 . 1 . 1 80 80 LEU CD2 C 13 21.700 0.1 . . . . . . . 80 L CD2 . 50135 1 395 . 1 . 1 80 80 LEU N N 15 118.300 0.1 . . . . . . . 80 L N . 50135 1 396 . 1 . 1 81 81 LEU C C 13 178.000 0.1 . . . . . . . 81 L C . 50135 1 397 . 1 . 1 81 81 LEU CA C 13 58.000 0.1 . . . . . . . 81 L CA . 50135 1 398 . 1 . 1 81 81 LEU CB C 13 41.600 0.1 . . . . . . . 81 L CB . 50135 1 399 . 1 . 1 81 81 LEU CG C 13 27.000 0.1 . . . . . . . 81 L CG . 50135 1 400 . 1 . 1 81 81 LEU CD1 C 13 23.750 0.1 . . . . . . . 81 L CD1 . 50135 1 401 . 1 . 1 81 81 LEU CD2 C 13 21.700 0.1 . . . . . . . 81 L CD2 . 50135 1 402 . 1 . 1 81 81 LEU N N 15 118.700 0.1 . . . . . . . 81 L N . 50135 1 403 . 1 . 1 82 82 TYR C C 13 177.000 0.1 . . . . . . . 82 Y C . 50135 1 404 . 1 . 1 82 82 TYR CA C 13 61.300 0.1 . . . . . . . 82 Y CA . 50135 1 405 . 1 . 1 82 82 TYR CB C 13 39.100 0.1 . . . . . . . 82 Y CB . 50135 1 406 . 1 . 1 82 82 TYR CG C 13 139.300 0.1 . . . . . . . 82 Y CG . 50135 1 407 . 1 . 1 82 82 TYR CD1 C 13 130.300 0.1 . . . . . . . 82 Y CD . 50135 1 408 . 1 . 1 82 82 TYR CD2 C 13 130.300 0.1 . . . . . . . 82 Y CD . 50135 1 409 . 1 . 1 82 82 TYR N N 15 119.900 0.1 . . . . . . . 82 Y N . 50135 1 410 . 1 . 1 83 83 GLN C C 13 178.200 0.1 . . . . . . . 83 Q C . 50135 1 411 . 1 . 1 83 83 GLN CA C 13 58.300 0.1 . . . . . . . 83 Q CA . 50135 1 412 . 1 . 1 83 83 GLN CB C 13 29.600 0.1 . . . . . . . 83 Q CB . 50135 1 413 . 1 . 1 83 83 GLN CG C 13 32.100 0.1 . . . . . . . 83 Q CG . 50135 1 414 . 1 . 1 83 83 GLN CD C 13 180.800 0.1 . . . . . . . 83 Q CD . 50135 1 415 . 1 . 1 83 83 GLN N N 15 119.600 0.1 . . . . . . . 83 Q N . 50135 1 416 . 1 . 1 84 84 LEU C C 13 177.600 0.1 . . . . . . . 84 L C . 50135 1 417 . 1 . 1 84 84 LEU CA C 13 56.300 0.1 . . . . . . . 84 L CA . 50135 1 418 . 1 . 1 84 84 LEU CB C 13 41.850 0.1 . . . . . . . 84 L CB . 50135 1 419 . 1 . 1 84 84 LEU N N 15 117.700 0.1 . . . . . . . 84 L N . 50135 1 420 . 1 . 1 85 85 GLY C C 13 172.700 0.1 . . . . . . . 85 G C . 50135 1 421 . 1 . 1 85 85 GLY CA C 13 44.100 0.1 . . . . . . . 85 G CA . 50135 1 422 . 1 . 1 85 85 GLY N N 15 105.000 0.1 . . . . . . . 85 G N . 50135 1 423 . 1 . 1 86 86 ASP C C 13 175.500 0.1 . . . . . . . 86 D C . 50135 1 424 . 1 . 1 86 86 ASP CA C 13 54.300 0.1 . . . . . . . 86 D CA . 50135 1 425 . 1 . 1 86 86 ASP CB C 13 42.000 0.1 . . . . . . . 86 D CB . 50135 1 426 . 1 . 1 86 86 ASP N N 15 121.700 0.1 . . . . . . . 86 D N . 50135 1 427 . 1 . 1 87 87 ALA C C 13 175.400 0.1 . . . . . . . 87 A C . 50135 1 428 . 1 . 1 87 87 ALA CA C 13 52.400 0.1 . . . . . . . 87 A CA . 50135 1 429 . 1 . 1 87 87 ALA CB C 13 19.000 0.1 . . . . . . . 87 A CB . 50135 1 430 . 1 . 1 87 87 ALA N N 15 127.800 0.1 . . . . . . . 87 A N . 50135 1 431 . 1 . 1 88 88 PRO C C 13 176.600 0.1 . . . . . . . 88 P C . 50135 1 432 . 1 . 1 88 88 PRO CA C 13 64.900 0.1 . . . . . . . 88 P CA . 50135 1 433 . 1 . 1 88 88 PRO CB C 13 33.900 0.1 . . . . . . . 88 P CB . 50135 1 434 . 1 . 1 88 88 PRO CG C 13 25.900 0.1 . . . . . . . 88 P CG . 50135 1 435 . 1 . 1 88 88 PRO CD C 13 50.600 0.1 . . . . . . . 88 P CD . 50135 1 436 . 1 . 1 88 88 PRO N N 15 132.000 0.1 . . . . . . . 88 P N . 50135 1 437 . 1 . 1 89 89 ILE C C 13 176.000 0.1 . . . . . . . 89 I C . 50135 1 438 . 1 . 1 89 89 ILE CA C 13 58.500 0.1 . . . . . . . 89 I CA . 50135 1 439 . 1 . 1 89 89 ILE CB C 13 41.300 0.1 . . . . . . . 89 I CB . 50135 1 440 . 1 . 1 89 89 ILE CG1 C 13 26.100 0.1 . . . . . . . 89 I CG1 . 50135 1 441 . 1 . 1 89 89 ILE CG2 C 13 17.200 0.1 . . . . . . . 89 I CG2 . 50135 1 442 . 1 . 1 89 89 ILE CD1 C 13 13.100 0.1 . . . . . . . 89 I CD . 50135 1 443 . 1 . 1 89 89 ILE N N 15 117.900 0.1 . . . . . . . 89 I N . 50135 1 444 . 1 . 1 90 90 ALA C C 13 176.000 0.1 . . . . . . . 90 A C . 50135 1 445 . 1 . 1 90 90 ALA CA C 13 52.350 0.1 . . . . . . . 90 A CA . 50135 1 446 . 1 . 1 90 90 ALA CB C 13 18.500 0.1 . . . . . . . 90 A CB . 50135 1 447 . 1 . 1 90 90 ALA N N 15 131.700 0.1 . . . . . . . 90 A N . 50135 1 448 . 1 . 1 91 91 ASN C C 13 174.800 0.1 . . . . . . . 91 N C . 50135 1 449 . 1 . 1 91 91 ASN CA C 13 53.400 0.1 . . . . . . . 91 N CA . 50135 1 450 . 1 . 1 91 91 ASN CB C 13 37.000 0.1 . . . . . . . 91 N CB . 50135 1 451 . 1 . 1 91 91 ASN CG C 13 178.700 0.1 . . . . . . . 91 N CG . 50135 1 452 . 1 . 1 91 91 ASN N N 15 113.000 0.1 . . . . . . . 91 N N . 50135 1 453 . 1 . 1 92 92 GLN C C 13 175.800 0.1 . . . . . . . 92 Q C . 50135 1 454 . 1 . 1 92 92 GLN CA C 13 58.200 0.1 . . . . . . . 92 Q CA . 50135 1 455 . 1 . 1 92 92 GLN CB C 13 27.100 0.1 . . . . . . . 92 Q CB . 50135 1 456 . 1 . 1 92 92 GLN CG C 13 32.350 0.1 . . . . . . . 92 Q CG . 50135 1 457 . 1 . 1 92 92 GLN CD C 13 178.800 0.1 . . . . . . . 92 Q CD . 50135 1 458 . 1 . 1 92 92 GLN N N 15 117.700 0.1 . . . . . . . 92 Q N . 50135 1 459 . 1 . 1 93 93 SER C C 13 176.100 0.1 . . . . . . . 93 S C . 50135 1 460 . 1 . 1 93 93 SER CA C 13 56.400 0.1 . . . . . . . 93 S CA . 50135 1 461 . 1 . 1 93 93 SER CB C 13 64.500 0.1 . . . . . . . 93 S CB . 50135 1 462 . 1 . 1 93 93 SER N N 15 114.100 0.1 . . . . . . . 93 S N . 50135 1 463 . 1 . 1 94 94 PRO CA C 13 63.700 0.1 . . . . . . . 94 P CA . 50135 1 464 . 1 . 1 94 94 PRO CB C 13 32.000 0.1 . . . . . . . 94 P CB . 50135 1 465 . 1 . 1 94 94 PRO CG C 13 27.200 0.1 . . . . . . . 94 P CG . 50135 1 466 . 1 . 1 94 94 PRO CD C 13 50.100 0.1 . . . . . . . 94 P CD . 50135 1 467 . 1 . 1 94 94 PRO N N 15 137.000 0.1 . . . . . . . 94 P N . 50135 1 468 . 1 . 1 95 95 PRO C C 13 177.500 0.1 . . . . . . . 95 P C . 50135 1 469 . 1 . 1 95 95 PRO CA C 13 61.450 0.1 . . . . . . . 95 P CA . 50135 1 470 . 1 . 1 95 95 PRO CB C 13 31.400 0.1 . . . . . . . 95 P CB . 50135 1 471 . 1 . 1 95 95 PRO CG C 13 26.600 0.1 . . . . . . . 95 P CG . 50135 1 472 . 1 . 1 95 95 PRO CD C 13 50.800 0.1 . . . . . . . 95 P CD . 50135 1 473 . 1 . 1 95 95 PRO N N 15 129.300 0.1 . . . . . . . 95 P N . 50135 1 474 . 1 . 1 96 96 GLY C C 13 176.100 0.1 . . . . . . . 96 G C . 50135 1 475 . 1 . 1 96 96 GLY CA C 13 46.800 0.1 . . . . . . . 96 G CA . 50135 1 476 . 1 . 1 96 96 GLY N N 15 108.300 0.1 . . . . . . . 96 G N . 50135 1 477 . 1 . 1 97 97 PHE C C 13 178.450 0.1 . . . . . . . 97 F C . 50135 1 478 . 1 . 1 97 97 PHE CA C 13 58.600 0.1 . . . . . . . 97 F CA . 50135 1 479 . 1 . 1 97 97 PHE CB C 13 39.400 0.1 . . . . . . . 97 F CB . 50135 1 480 . 1 . 1 97 97 PHE N N 15 125.000 0.1 . . . . . . . 97 F N . 50135 1 481 . 1 . 1 98 98 VAL C C 13 177.800 0.1 . . . . . . . 98 V C . 50135 1 482 . 1 . 1 98 98 VAL CA C 13 67.200 0.1 . . . . . . . 98 V CA . 50135 1 483 . 1 . 1 98 98 VAL CB C 13 31.200 0.1 . . . . . . . 98 V CB . 50135 1 484 . 1 . 1 98 98 VAL CG1 C 13 24.000 0.1 . . . . . . . 98 V CG1 . 50135 1 485 . 1 . 1 98 98 VAL CG2 C 13 21.400 0.1 . . . . . . . 98 V CG2 . 50135 1 486 . 1 . 1 98 98 VAL N N 15 118.600 0.1 . . . . . . . 98 V N . 50135 1 487 . 1 . 1 99 99 GLY C C 13 175.900 0.1 . . . . . . . 99 G C . 50135 1 488 . 1 . 1 99 99 GLY CA C 13 48.000 0.1 . . . . . . . 99 G CA . 50135 1 489 . 1 . 1 99 99 GLY N N 15 111.300 0.1 . . . . . . . 99 G N . 50135 1 490 . 1 . 1 100 100 ALA C C 13 179.000 0.1 . . . . . . . 100 A C . 50135 1 491 . 1 . 1 100 100 ALA CA C 13 55.200 0.1 . . . . . . . 100 A CA . 50135 1 492 . 1 . 1 100 100 ALA CB C 13 17.700 0.1 . . . . . . . 100 A CB . 50135 1 493 . 1 . 1 100 100 ALA N N 15 122.600 0.1 . . . . . . . 100 A N . 50135 1 494 . 1 . 1 101 101 PHE C C 13 176.900 0.1 . . . . . . . 101 F C . 50135 1 495 . 1 . 1 101 101 PHE CA C 13 62.000 0.1 . . . . . . . 101 F CA . 50135 1 496 . 1 . 1 101 101 PHE CB C 13 37.600 0.1 . . . . . . . 101 F CB . 50135 1 497 . 1 . 1 101 101 PHE CG C 13 131.900 0.1 . . . . . . . 101 F CG . 50135 1 498 . 1 . 1 101 101 PHE N N 15 120.600 0.1 . . . . . . . 101 F N . 50135 1 499 . 1 . 1 102 102 PHE C C 13 178.400 0.1 . . . . . . . 102 F C . 50135 1 500 . 1 . 1 102 102 PHE CA C 13 61.700 0.1 . . . . . . . 102 F CA . 50135 1 501 . 1 . 1 102 102 PHE CB C 13 37.600 0.1 . . . . . . . 102 F CB . 50135 1 502 . 1 . 1 102 102 PHE CG C 13 130.900 0.1 . . . . . . . 102 F CG . 50135 1 503 . 1 . 1 102 102 PHE N N 15 119.000 0.1 . . . . . . . 102 F N . 50135 1 504 . 1 . 1 103 103 PHE C C 13 176.800 0.1 . . . . . . . 103 F C . 50135 1 505 . 1 . 1 103 103 PHE CA C 13 61.800 0.1 . . . . . . . 103 F CA . 50135 1 506 . 1 . 1 103 103 PHE CB C 13 38.100 0.1 . . . . . . . 103 F CB . 50135 1 507 . 1 . 1 103 103 PHE CG C 13 137.900 0.1 . . . . . . . 103 F CG . 50135 1 508 . 1 . 1 103 103 PHE CD1 C 13 130.600 0.1 . . . . . . . 103 F CD . 50135 1 509 . 1 . 1 103 103 PHE CD2 C 13 130.600 0.1 . . . . . . . 103 F CD . 50135 1 510 . 1 . 1 103 103 PHE N N 15 122.600 0.1 . . . . . . . 103 F N . 50135 1 511 . 1 . 1 104 104 SER C C 13 176.200 0.1 . . . . . . . 104 S C . 50135 1 512 . 1 . 1 104 104 SER CA C 13 62.300 0.1 . . . . . . . 104 S CA . 50135 1 513 . 1 . 1 104 104 SER CB C 13 63.100 0.1 . . . . . . . 104 S CB . 50135 1 514 . 1 . 1 104 104 SER N N 15 115.000 0.1 . . . . . . . 104 S N . 50135 1 515 . 1 . 1 105 105 VAL C C 13 177.400 0.1 . . . . . . . 105 V C . 50135 1 516 . 1 . 1 105 105 VAL CA C 13 67.600 0.1 . . . . . . . 105 V CA . 50135 1 517 . 1 . 1 105 105 VAL CB C 13 31.400 0.1 . . . . . . . 105 V CB . 50135 1 518 . 1 . 1 105 105 VAL CG1 C 13 21.500 0.1 . . . . . . . 105 V CG1 . 50135 1 519 . 1 . 1 105 105 VAL CG2 C 13 23.600 0.1 . . . . . . . 105 V CG2 . 50135 1 520 . 1 . 1 105 105 VAL N N 15 123.600 0.1 . . . . . . . 105 V N . 50135 1 521 . 1 . 1 106 106 GLU C C 13 178.230 0.1 . . . . . . . 106 E C . 50135 1 522 . 1 . 1 106 106 GLU CA C 13 58.200 0.1 . . . . . . . 106 E CA . 50135 1 523 . 1 . 1 106 106 GLU CB C 13 27.350 0.1 . . . . . . . 106 E CB . 50135 1 524 . 1 . 1 106 106 GLU CG C 13 36.100 0.1 . . . . . . . 106 E CG . 50135 1 525 . 1 . 1 106 106 GLU CD C 13 182.800 0.1 . . . . . . . 106 E CD . 50135 1 526 . 1 . 1 106 106 GLU N N 15 118.000 0.1 . . . . . . . 106 E N . 50135 1 527 . 1 . 1 107 107 THR C C 13 175.800 0.1 . . . . . . . 107 T C . 50135 1 528 . 1 . 1 107 107 THR CA C 13 61.600 0.1 . . . . . . . 107 T CA . 50135 1 529 . 1 . 1 107 107 THR CB C 13 70.800 0.1 . . . . . . . 107 T CB . 50135 1 530 . 1 . 1 107 107 THR CG2 C 13 21.800 0.1 . . . . . . . 107 T CG2 . 50135 1 531 . 1 . 1 107 107 THR N N 15 117.600 0.1 . . . . . . . 107 T N . 50135 1 532 . 1 . 1 108 108 LEU C C 13 178.300 0.1 . . . . . . . 108 L C . 50135 1 533 . 1 . 1 108 108 LEU CA C 13 58.100 0.1 . . . . . . . 108 L CA . 50135 1 534 . 1 . 1 108 108 LEU CB C 13 40.800 0.1 . . . . . . . 108 L CB . 50135 1 535 . 1 . 1 108 108 LEU CG C 13 27.000 0.1 . . . . . . . 108 L CG . 50135 1 536 . 1 . 1 108 108 LEU N N 15 118.400 0.1 . . . . . . . 108 L N . 50135 1 537 . 1 . 1 109 109 ALA C C 13 179.000 0.1 . . . . . . . 109 A C . 50135 1 538 . 1 . 1 109 109 ALA CA C 13 51.500 0.1 . . . . . . . 109 A CA . 50135 1 539 . 1 . 1 109 109 ALA CB C 13 20.500 0.1 . . . . . . . 109 A CB . 50135 1 540 . 1 . 1 109 109 ALA N N 15 112.800 0.1 . . . . . . . 109 A N . 50135 1 541 . 1 . 1 110 110 THR C C 13 172.200 0.1 . . . . . . . 110 T C . 50135 1 542 . 1 . 1 110 110 THR CA C 13 62.600 0.1 . . . . . . . 110 T CA . 50135 1 543 . 1 . 1 110 110 THR CB C 13 70.100 0.1 . . . . . . . 110 T CB . 50135 1 544 . 1 . 1 110 110 THR CG2 C 13 20.900 0.1 . . . . . . . 110 T CG2 . 50135 1 545 . 1 . 1 110 110 THR N N 15 110.700 0.1 . . . . . . . 110 T N . 50135 1 546 . 1 . 1 111 111 VAL C C 13 179.100 0.1 . . . . . . . 111 V C . 50135 1 547 . 1 . 1 111 111 VAL CA C 13 65.680 0.1 . . . . . . . 111 V CA . 50135 1 548 . 1 . 1 111 111 VAL CB C 13 33.500 0.1 . . . . . . . 111 V CB . 50135 1 549 . 1 . 1 111 111 VAL CG1 C 13 22.450 0.1 . . . . . . . 111 V CG1 . 50135 1 550 . 1 . 1 111 111 VAL CG2 C 13 20.400 0.1 . . . . . . . 111 V CG2 . 50135 1 551 . 1 . 1 111 111 VAL N N 15 120.800 0.1 . . . . . . . 111 V N . 50135 1 552 . 1 . 1 112 112 GLY C C 13 175.100 0.1 . . . . . . . 112 G C . 50135 1 553 . 1 . 1 112 112 GLY CA C 13 48.500 0.1 . . . . . . . 112 G CA . 50135 1 554 . 1 . 1 112 112 GLY N N 15 103.800 0.1 . . . . . . . 112 G N . 50135 1 555 . 1 . 1 113 113 TYR C C 13 177.300 0.1 . . . . . . . 113 Y C . 50135 1 556 . 1 . 1 113 113 TYR CA C 13 61.000 0.1 . . . . . . . 113 Y CA . 50135 1 557 . 1 . 1 113 113 TYR CB C 13 39.800 0.1 . . . . . . . 113 Y CB . 50135 1 558 . 1 . 1 113 113 TYR CG C 13 130.000 0.1 . . . . . . . 113 Y CG . 50135 1 559 . 1 . 1 113 113 TYR N N 15 116.200 0.1 . . . . . . . 113 Y N . 50135 1 560 . 1 . 1 114 114 GLY C C 13 174.500 0.1 . . . . . . . 114 G C . 50135 1 561 . 1 . 1 114 114 GLY CA C 13 46.600 0.1 . . . . . . . 114 G CA . 50135 1 562 . 1 . 1 114 114 GLY N N 15 106.600 0.1 . . . . . . . 114 G N . 50135 1 563 . 1 . 1 115 115 ASP C C 13 176.100 0.1 . . . . . . . 115 D C . 50135 1 564 . 1 . 1 115 115 ASP CA C 13 54.500 0.1 . . . . . . . 115 D CA . 50135 1 565 . 1 . 1 115 115 ASP CB C 13 41.700 0.1 . . . . . . . 115 D CB . 50135 1 566 . 1 . 1 115 115 ASP CG C 13 178.900 0.1 . . . . . . . 115 D CG . 50135 1 567 . 1 . 1 115 115 ASP N N 15 121.000 0.1 . . . . . . . 115 D N . 50135 1 568 . 1 . 1 116 116 MET C C 13 175.400 0.1 . . . . . . . 116 M C . 50135 1 569 . 1 . 1 116 116 MET CA C 13 55.100 0.1 . . . . . . . 116 M CA . 50135 1 570 . 1 . 1 116 116 MET CB C 13 32.900 0.1 . . . . . . . 116 M CB . 50135 1 571 . 1 . 1 116 116 MET CG C 13 36.100 0.1 . . . . . . . 116 M CG . 50135 1 572 . 1 . 1 116 116 MET CE C 13 18.100 0.1 . . . . . . . 116 M CE . 50135 1 573 . 1 . 1 116 116 MET N N 15 116.300 0.1 . . . . . . . 116 M N . 50135 1 574 . 1 . 1 117 117 HIS C C 13 169.500 0.1 . . . . . . . 117 H C . 50135 1 575 . 1 . 1 117 117 HIS CA C 13 52.900 0.1 . . . . . . . 117 H CA . 50135 1 576 . 1 . 1 117 117 HIS CB C 13 26.000 0.1 . . . . . . . 117 H CB . 50135 1 577 . 1 . 1 117 117 HIS CG C 13 128.400 0.1 . . . . . . . 117 H CG . 50135 1 578 . 1 . 1 117 117 HIS N N 15 114.800 0.1 . . . . . . . 117 H N . 50135 1 579 . 1 . 1 118 118 PRO C C 13 176.600 0.1 . . . . . . . 118 P C . 50135 1 580 . 1 . 1 118 118 PRO CA C 13 62.600 0.1 . . . . . . . 118 P CA . 50135 1 581 . 1 . 1 118 118 PRO CB C 13 30.900 0.1 . . . . . . . 118 P CB . 50135 1 582 . 1 . 1 118 118 PRO CG C 13 27.900 0.1 . . . . . . . 118 P CG . 50135 1 583 . 1 . 1 118 118 PRO CD C 13 50.300 0.1 . . . . . . . 118 P CD . 50135 1 584 . 1 . 1 118 118 PRO N N 15 137.400 0.1 . . . . . . . 118 P N . 50135 1 585 . 1 . 1 119 119 GLN C C 13 174.400 0.1 . . . . . . . 119 Q C . 50135 1 586 . 1 . 1 119 119 GLN CA C 13 53.800 0.1 . . . . . . . 119 Q CA . 50135 1 587 . 1 . 1 119 119 GLN CB C 13 29.200 0.1 . . . . . . . 119 Q CB . 50135 1 588 . 1 . 1 119 119 GLN CG C 13 30.900 0.1 . . . . . . . 119 Q CG . 50135 1 589 . 1 . 1 119 119 GLN N N 15 115.800 0.1 . . . . . . . 119 Q N . 50135 1 590 . 1 . 1 120 120 THR C C 13 174.300 0.1 . . . . . . . 120 T C . 50135 1 591 . 1 . 1 120 120 THR CA C 13 58.500 0.1 . . . . . . . 120 T CA . 50135 1 592 . 1 . 1 120 120 THR CB C 13 72.000 0.1 . . . . . . . 120 T CB . 50135 1 593 . 1 . 1 120 120 THR CG2 C 13 23.300 0.1 . . . . . . . 120 T CG2 . 50135 1 594 . 1 . 1 120 120 THR N N 15 111.300 0.1 . . . . . . . 120 T N . 50135 1 595 . 1 . 1 121 121 VAL C C 13 177.400 0.1 . . . . . . . 121 V C . 50135 1 596 . 1 . 1 121 121 VAL CA C 13 68.300 0.1 . . . . . . . 121 V CA . 50135 1 597 . 1 . 1 121 121 VAL CB C 13 31.400 0.1 . . . . . . . 121 V CB . 50135 1 598 . 1 . 1 121 121 VAL CG1 C 13 24.200 0.1 . . . . . . . 121 V CG1 . 50135 1 599 . 1 . 1 121 121 VAL CG2 C 13 22.100 0.1 . . . . . . . 121 V CG2 . 50135 1 600 . 1 . 1 121 121 VAL N N 15 124.200 0.1 . . . . . . . 121 V N . 50135 1 601 . 1 . 1 122 122 TYR C C 13 176.800 0.1 . . . . . . . 122 Y C . 50135 1 602 . 1 . 1 122 122 TYR CA C 13 62.200 0.1 . . . . . . . 122 Y CA . 50135 1 603 . 1 . 1 122 122 TYR CB C 13 37.500 0.1 . . . . . . . 122 Y CB . 50135 1 604 . 1 . 1 122 122 TYR CG C 13 130.300 0.1 . . . . . . . 122 Y CG . 50135 1 605 . 1 . 1 122 122 TYR N N 15 120.500 0.1 . . . . . . . 122 Y N . 50135 1 606 . 1 . 1 123 123 ALA C C 13 177.200 0.1 . . . . . . . 123 A C . 50135 1 607 . 1 . 1 123 123 ALA CA C 13 54.800 0.1 . . . . . . . 123 A CA . 50135 1 608 . 1 . 1 123 123 ALA CB C 13 17.500 0.1 . . . . . . . 123 A CB . 50135 1 609 . 1 . 1 123 123 ALA N N 15 119.500 0.1 . . . . . . . 123 A N . 50135 1 610 . 1 . 1 124 124 HIS C C 13 177.400 0.1 . . . . . . . 124 H C . 50135 1 611 . 1 . 1 124 124 HIS CA C 13 58.100 0.1 . . . . . . . 124 H CA . 50135 1 612 . 1 . 1 124 124 HIS CB C 13 27.800 0.1 . . . . . . . 124 H CB . 50135 1 613 . 1 . 1 124 124 HIS N N 15 118.200 0.1 . . . . . . . 124 H N . 50135 1 614 . 1 . 1 125 125 ALA C C 13 177.700 0.1 . . . . . . . 125 A C . 50135 1 615 . 1 . 1 125 125 ALA CA C 13 55.700 0.1 . . . . . . . 125 A CA . 50135 1 616 . 1 . 1 125 125 ALA CB C 13 18.200 0.1 . . . . . . . 125 A CB . 50135 1 617 . 1 . 1 125 125 ALA N N 15 122.000 0.1 . . . . . . . 125 A N . 50135 1 618 . 1 . 1 126 126 ILE C C 13 177.100 0.1 . . . . . . . 126 I C . 50135 1 619 . 1 . 1 126 126 ILE CA C 13 64.100 0.1 . . . . . . . 126 I CA . 50135 1 620 . 1 . 1 126 126 ILE CB C 13 37.800 0.1 . . . . . . . 126 I CB . 50135 1 621 . 1 . 1 126 126 ILE CG1 C 13 26.900 0.1 . . . . . . . 126 I CG1 . 50135 1 622 . 1 . 1 126 126 ILE CG2 C 13 17.300 0.1 . . . . . . . 126 I CG2 . 50135 1 623 . 1 . 1 126 126 ILE CD1 C 13 13.800 0.1 . . . . . . . 126 I CD . 50135 1 624 . 1 . 1 126 126 ILE N N 15 119.000 0.1 . . . . . . . 126 I N . 50135 1 625 . 1 . 1 127 127 ALA C C 13 178.200 0.1 . . . . . . . 127 A C . 50135 1 626 . 1 . 1 127 127 ALA CA C 13 56.500 0.1 . . . . . . . 127 A CA . 50135 1 627 . 1 . 1 127 127 ALA CB C 13 18.400 0.1 . . . . . . . 127 A CB . 50135 1 628 . 1 . 1 127 127 ALA N N 15 120.700 0.1 . . . . . . . 127 A N . 50135 1 629 . 1 . 1 128 128 THR C C 13 175.600 0.1 . . . . . . . 128 T C . 50135 1 630 . 1 . 1 128 128 THR CA C 13 68.600 0.1 . . . . . . . 128 T CA . 50135 1 631 . 1 . 1 128 128 THR CB C 13 68.000 0.1 . . . . . . . 128 T CB . 50135 1 632 . 1 . 1 128 128 THR CG2 C 13 21.800 0.1 . . . . . . . 128 T CG2 . 50135 1 633 . 1 . 1 128 128 THR N N 15 119.000 0.1 . . . . . . . 128 T N . 50135 1 634 . 1 . 1 129 129 LEU C C 13 178.300 0.1 . . . . . . . 129 L C . 50135 1 635 . 1 . 1 129 129 LEU CA C 13 58.500 0.1 . . . . . . . 129 L CA . 50135 1 636 . 1 . 1 129 129 LEU CB C 13 41.400 0.1 . . . . . . . 129 L CB . 50135 1 637 . 1 . 1 129 129 LEU CG C 13 26.700 0.1 . . . . . . . 129 L CG . 50135 1 638 . 1 . 1 129 129 LEU CD1 C 13 23.800 0.1 . . . . . . . 129 L CD1 . 50135 1 639 . 1 . 1 129 129 LEU CD2 C 13 21.700 0.1 . . . . . . . 129 L CD2 . 50135 1 640 . 1 . 1 129 129 LEU N N 15 120.900 0.1 . . . . . . . 129 L N . 50135 1 641 . 1 . 1 130 130 GLU C C 13 176.400 0.1 . . . . . . . 130 E C . 50135 1 642 . 1 . 1 130 130 GLU CA C 13 59.900 0.1 . . . . . . . 130 E CA . 50135 1 643 . 1 . 1 130 130 GLU CB C 13 28.000 0.1 . . . . . . . 130 E CB . 50135 1 644 . 1 . 1 130 130 GLU CG C 13 36.800 0.1 . . . . . . . 130 E CG . 50135 1 645 . 1 . 1 130 130 GLU CD C 13 180.100 0.1 . . . . . . . 130 E CD . 50135 1 646 . 1 . 1 130 130 GLU N N 15 119.100 0.1 . . . . . . . 130 E N . 50135 1 647 . 1 . 1 131 131 CYS C C 13 177.100 0.1 . . . . . . . 131 C C . 50135 1 648 . 1 . 1 131 131 CYS CA C 13 65.100 0.1 . . . . . . . 131 C CA . 50135 1 649 . 1 . 1 131 131 CYS CB C 13 29.600 0.1 . . . . . . . 131 C CB . 50135 1 650 . 1 . 1 131 131 CYS N N 15 119.600 0.1 . . . . . . . 131 C N . 50135 1 651 . 1 . 1 132 132 PHE C C 13 178.700 0.1 . . . . . . . 132 F C . 50135 1 652 . 1 . 1 132 132 PHE CA C 13 62.100 0.1 . . . . . . . 132 F CA . 50135 1 653 . 1 . 1 132 132 PHE CB C 13 39.000 0.1 . . . . . . . 132 F CB . 50135 1 654 . 1 . 1 132 132 PHE N N 15 120.200 0.1 . . . . . . . 132 F N . 50135 1 655 . 1 . 1 133 133 VAL C C 13 177.000 0.1 . . . . . . . 133 V C . 50135 1 656 . 1 . 1 133 133 VAL CA C 13 67.100 0.1 . . . . . . . 133 V CA . 50135 1 657 . 1 . 1 133 133 VAL CB C 13 31.500 0.1 . . . . . . . 133 V CB . 50135 1 658 . 1 . 1 133 133 VAL CG1 C 13 23.800 0.1 . . . . . . . 133 V CG1 . 50135 1 659 . 1 . 1 133 133 VAL CG2 C 13 23.200 0.1 . . . . . . . 133 V CG2 . 50135 1 660 . 1 . 1 133 133 VAL N N 15 122.800 0.1 . . . . . . . 133 V N . 50135 1 661 . 1 . 1 134 134 GLY C C 13 175.800 0.1 . . . . . . . 134 G C . 50135 1 662 . 1 . 1 134 134 GLY CA C 13 48.000 0.1 . . . . . . . 134 G CA . 50135 1 663 . 1 . 1 134 134 GLY N N 15 106.800 0.1 . . . . . . . 134 G N . 50135 1 664 . 1 . 1 135 135 MET C C 13 175.300 0.1 . . . . . . . 135 M C . 50135 1 665 . 1 . 1 135 135 MET CA C 13 58.300 0.1 . . . . . . . 135 M CA . 50135 1 666 . 1 . 1 135 135 MET CB C 13 32.800 0.1 . . . . . . . 135 M CB . 50135 1 667 . 1 . 1 135 135 MET CG C 13 35.200 0.1 . . . . . . . 135 M CG . 50135 1 668 . 1 . 1 135 135 MET N N 15 122.400 0.1 . . . . . . . 135 M N . 50135 1 669 . 1 . 1 136 136 SER C C 13 175.700 0.1 . . . . . . . 136 S C . 50135 1 670 . 1 . 1 136 136 SER CA C 13 63.200 0.1 . . . . . . . 136 S CA . 50135 1 671 . 1 . 1 136 136 SER CB C 13 64.300 0.1 . . . . . . . 136 S CB . 50135 1 672 . 1 . 1 136 136 SER N N 15 114.700 0.1 . . . . . . . 136 S N . 50135 1 673 . 1 . 1 137 137 GLY C C 13 177.400 0.1 . . . . . . . 137 G C . 50135 1 674 . 1 . 1 137 137 GLY CA C 13 47.500 0.1 . . . . . . . 137 G CA . 50135 1 675 . 1 . 1 137 137 GLY N N 15 110.500 0.1 . . . . . . . 137 G N . 50135 1 676 . 1 . 1 138 138 ILE C C 13 179.100 0.1 . . . . . . . 138 I C . 50135 1 677 . 1 . 1 138 138 ILE CA C 13 66.300 0.1 . . . . . . . 138 I CA . 50135 1 678 . 1 . 1 138 138 ILE CB C 13 38.500 0.1 . . . . . . . 138 I CB . 50135 1 679 . 1 . 1 138 138 ILE CG1 C 13 27.000 0.1 . . . . . . . 138 I CG1 . 50135 1 680 . 1 . 1 138 138 ILE CG2 C 13 17.000 0.1 . . . . . . . 138 I CG2 . 50135 1 681 . 1 . 1 138 138 ILE CD1 C 13 13.600 0.1 . . . . . . . 138 I CD . 50135 1 682 . 1 . 1 138 138 ILE N N 15 126.500 0.1 . . . . . . . 138 I N . 50135 1 683 . 1 . 1 139 139 ALA C C 13 179.400 0.1 . . . . . . . 139 A C . 50135 1 684 . 1 . 1 139 139 ALA CA C 13 56.300 0.1 . . . . . . . 139 A CA . 50135 1 685 . 1 . 1 139 139 ALA CB C 13 18.400 0.1 . . . . . . . 139 A CB . 50135 1 686 . 1 . 1 139 139 ALA N N 15 125.800 0.1 . . . . . . . 139 A N . 50135 1 687 . 1 . 1 140 140 LEU C C 13 178.500 0.1 . . . . . . . 140 L C . 50135 1 688 . 1 . 1 140 140 LEU CA C 13 58.100 0.1 . . . . . . . 140 L CA . 50135 1 689 . 1 . 1 140 140 LEU CB C 13 41.300 0.1 . . . . . . . 140 L CB . 50135 1 690 . 1 . 1 140 140 LEU CG C 13 26.800 0.1 . . . . . . . 140 L CG . 50135 1 691 . 1 . 1 140 140 LEU CD1 C 13 23.300 0.1 . . . . . . . 140 L CD1 . 50135 1 692 . 1 . 1 140 140 LEU CD2 C 13 22.500 0.1 . . . . . . . 140 L CD2 . 50135 1 693 . 1 . 1 140 140 LEU N N 15 118.700 0.1 . . . . . . . 140 L N . 50135 1 694 . 1 . 1 141 141 SER C C 13 177.100 0.1 . . . . . . . 141 S C . 50135 1 695 . 1 . 1 141 141 SER CA C 13 63.300 0.1 . . . . . . . 141 S CA . 50135 1 696 . 1 . 1 141 141 SER CB C 13 62.600 0.1 . . . . . . . 141 S CB . 50135 1 697 . 1 . 1 141 141 SER N N 15 114.700 0.1 . . . . . . . 141 S N . 50135 1 698 . 1 . 1 142 142 THR C C 13 176.200 0.1 . . . . . . . 142 T C . 50135 1 699 . 1 . 1 142 142 THR CA C 13 67.900 0.1 . . . . . . . 142 T CA . 50135 1 700 . 1 . 1 142 142 THR CB C 13 67.400 0.1 . . . . . . . 142 T CB . 50135 1 701 . 1 . 1 142 142 THR CG2 C 13 21.700 0.1 . . . . . . . 142 T CG2 . 50135 1 702 . 1 . 1 142 142 THR N N 15 120.000 0.1 . . . . . . . 142 T N . 50135 1 703 . 1 . 1 143 143 GLY C C 13 175.800 0.1 . . . . . . . 143 G C . 50135 1 704 . 1 . 1 143 143 GLY CA C 13 48.100 0.1 . . . . . . . 143 G CA . 50135 1 705 . 1 . 1 143 143 GLY N N 15 110.200 0.1 . . . . . . . 143 G N . 50135 1 706 . 1 . 1 144 144 LEU C C 13 178.200 0.1 . . . . . . . 144 L C . 50135 1 707 . 1 . 1 144 144 LEU CA C 13 58.000 0.1 . . . . . . . 144 L CA . 50135 1 708 . 1 . 1 144 144 LEU CB C 13 41.400 0.1 . . . . . . . 144 L CB . 50135 1 709 . 1 . 1 144 144 LEU CG C 13 27.300 0.1 . . . . . . . 144 L CG . 50135 1 710 . 1 . 1 144 144 LEU CD1 C 13 23.700 0.1 . . . . . . . 144 L CD1 . 50135 1 711 . 1 . 1 144 144 LEU CD2 C 13 21.600 0.1 . . . . . . . 144 L CD2 . 50135 1 712 . 1 . 1 144 144 LEU N N 15 122.600 0.1 . . . . . . . 144 L N . 50135 1 713 . 1 . 1 145 145 VAL C C 13 178.900 0.1 . . . . . . . 145 V C . 50135 1 714 . 1 . 1 145 145 VAL CA C 13 67.100 0.1 . . . . . . . 145 V CA . 50135 1 715 . 1 . 1 145 145 VAL CB C 13 31.600 0.1 . . . . . . . 145 V CB . 50135 1 716 . 1 . 1 145 145 VAL CG1 C 13 24.300 0.1 . . . . . . . 145 V CG1 . 50135 1 717 . 1 . 1 145 145 VAL CG2 C 13 22.100 0.1 . . . . . . . 145 V CG2 . 50135 1 718 . 1 . 1 145 145 VAL N N 15 120.200 0.1 . . . . . . . 145 V N . 50135 1 719 . 1 . 1 146 146 PHE C C 13 176.300 0.1 . . . . . . . 146 F C . 50135 1 720 . 1 . 1 146 146 PHE CA C 13 62.500 0.1 . . . . . . . 146 F CA . 50135 1 721 . 1 . 1 146 146 PHE CB C 13 39.800 0.1 . . . . . . . 146 F CB . 50135 1 722 . 1 . 1 146 146 PHE CG C 13 137.700 0.1 . . . . . . . 146 F CG . 50135 1 723 . 1 . 1 146 146 PHE N N 15 124.000 0.1 . . . . . . . 146 F N . 50135 1 724 . 1 . 1 147 147 ALA C C 13 179.200 0.1 . . . . . . . 147 A C . 50135 1 725 . 1 . 1 147 147 ALA CA C 13 55.600 0.1 . . . . . . . 147 A CA . 50135 1 726 . 1 . 1 147 147 ALA CB C 13 18.300 0.1 . . . . . . . 147 A CB . 50135 1 727 . 1 . 1 147 147 ALA N N 15 120.800 0.1 . . . . . . . 147 A N . 50135 1 728 . 1 . 1 148 148 ARG C C 13 177.500 0.1 . . . . . . . 148 R C . 50135 1 729 . 1 . 1 148 148 ARG CA C 13 58.300 0.1 . . . . . . . 148 R CA . 50135 1 730 . 1 . 1 148 148 ARG CB C 13 29.700 0.1 . . . . . . . 148 R CB . 50135 1 731 . 1 . 1 148 148 ARG CG C 13 26.600 0.1 . . . . . . . 148 R CG . 50135 1 732 . 1 . 1 148 148 ARG CD C 13 44.800 0.1 . . . . . . . 148 R CD . 50135 1 733 . 1 . 1 148 148 ARG N N 15 118.200 0.1 . . . . . . . 148 R N . 50135 1 734 . 1 . 1 149 149 PHE C C 13 174.400 0.1 . . . . . . . 149 F C . 50135 1 735 . 1 . 1 149 149 PHE CA C 13 60.600 0.1 . . . . . . . 149 F CA . 50135 1 736 . 1 . 1 149 149 PHE CB C 13 37.300 0.1 . . . . . . . 149 F CB . 50135 1 737 . 1 . 1 149 149 PHE CG C 13 136.500 0.1 . . . . . . . 149 F CG . 50135 1 738 . 1 . 1 149 149 PHE N N 15 120.100 0.1 . . . . . . . 149 F N . 50135 1 739 . 1 . 1 150 150 ALA C C 13 174.700 0.1 . . . . . . . 150 A C . 50135 1 740 . 1 . 1 150 150 ALA CA C 13 54.300 0.1 . . . . . . . 150 A CA . 50135 1 741 . 1 . 1 150 150 ALA CB C 13 18.000 0.1 . . . . . . . 150 A CB . 50135 1 742 . 1 . 1 150 150 ALA N N 15 125.400 0.1 . . . . . . . 150 A N . 50135 1 743 . 1 . 1 151 151 ARG C C 13 171.987 0.1 . . . . . . . 151 R C . 50135 1 744 . 1 . 1 151 151 ARG CA C 13 54.607 0.1 . . . . . . . 151 R CA . 50135 1 745 . 1 . 1 151 151 ARG CB C 13 33.346 0.1 . . . . . . . 151 R CB . 50135 1 746 . 1 . 1 151 151 ARG CG C 13 26.307 0.1 . . . . . . . 151 R CG . 50135 1 747 . 1 . 1 151 151 ARG CD C 13 42.875 0.1 . . . . . . . 151 R CD . 50135 1 748 . 1 . 1 151 151 ARG N N 15 125.491 0.1 . . . . . . . 151 R N . 50135 1 749 . 1 . 1 152 152 PRO C C 13 175.258 0.1 . . . . . . . 152 P C . 50135 1 750 . 1 . 1 152 152 PRO CA C 13 61.515 0.1 . . . . . . . 152 P CA . 50135 1 751 . 1 . 1 152 152 PRO CB C 13 29.840 0.1 . . . . . . . 152 P CB . 50135 1 752 . 1 . 1 152 152 PRO CG C 13 27.504 0.1 . . . . . . . 152 P CG . 50135 1 753 . 1 . 1 152 152 PRO CD C 13 50.547 0.1 . . . . . . . 152 P CD . 50135 1 754 . 1 . 1 152 152 PRO N N 15 135.521 0.1 . . . . . . . 152 P N . 50135 1 755 . 1 . 1 153 153 ARG C C 13 175.159 0.1 . . . . . . . 153 R C . 50135 1 756 . 1 . 1 153 153 ARG CA C 13 55.500 0.1 . . . . . . . 153 R CA . 50135 1 757 . 1 . 1 153 153 ARG CB C 13 32.910 0.1 . . . . . . . 153 R CB . 50135 1 758 . 1 . 1 153 153 ARG CG C 13 26.770 0.1 . . . . . . . 153 R CG . 50135 1 759 . 1 . 1 153 153 ARG CD C 13 42.112 0.1 . . . . . . . 153 R CD . 50135 1 760 . 1 . 1 153 153 ARG N N 15 121.805 0.1 . . . . . . . 153 R N . 50135 1 761 . 1 . 1 154 154 ALA C C 13 177.373 0.1 . . . . . . . 154 A C . 50135 1 762 . 1 . 1 154 154 ALA CA C 13 55.408 0.1 . . . . . . . 154 A CA . 50135 1 763 . 1 . 1 154 154 ALA CB C 13 22.200 0.1 . . . . . . . 154 A CB . 50135 1 764 . 1 . 1 154 154 ALA N N 15 120.212 0.1 . . . . . . . 154 A N . 50135 1 765 . 1 . 1 155 155 LYS C C 13 179.766 0.1 . . . . . . . 155 K C . 50135 1 766 . 1 . 1 155 155 LYS CA C 13 57.899 0.1 . . . . . . . 155 K CA . 50135 1 767 . 1 . 1 155 155 LYS CB C 13 32.222 0.1 . . . . . . . 155 K CB . 50135 1 768 . 1 . 1 155 155 LYS CG C 13 25.110 0.1 . . . . . . . 155 K CG . 50135 1 769 . 1 . 1 155 155 LYS CD C 13 28.709 0.1 . . . . . . . 155 K CD . 50135 1 770 . 1 . 1 155 155 LYS CE C 13 40.700 0.1 . . . . . . . 155 K CE . 50135 1 771 . 1 . 1 155 155 LYS N N 15 120.727 0.1 . . . . . . . 155 K N . 50135 1 772 . 1 . 1 156 156 ILE C C 13 177.837 0.1 . . . . . . . 156 I C . 50135 1 773 . 1 . 1 156 156 ILE CA C 13 64.604 0.1 . . . . . . . 156 I CA . 50135 1 774 . 1 . 1 156 156 ILE CB C 13 37.900 0.1 . . . . . . . 156 I CB . 50135 1 775 . 1 . 1 156 156 ILE CG1 C 13 29.700 0.1 . . . . . . . 156 I CG1 . 50135 1 776 . 1 . 1 156 156 ILE CG2 C 13 17.800 0.1 . . . . . . . 156 I CG2 . 50135 1 777 . 1 . 1 156 156 ILE CD1 C 13 14.104 0.1 . . . . . . . 156 I CD1 . 50135 1 778 . 1 . 1 156 156 ILE N N 15 121.853 0.1 . . . . . . . 156 I N . 50135 1 779 . 1 . 1 157 157 MET C C 13 174.800 0.1 . . . . . . . 157 M C . 50135 1 780 . 1 . 1 157 157 MET CA C 13 58.300 0.1 . . . . . . . 157 M CA . 50135 1 781 . 1 . 1 157 157 MET CB C 13 32.300 0.1 . . . . . . . 157 M CB . 50135 1 782 . 1 . 1 157 157 MET CG C 13 35.700 0.1 . . . . . . . 157 M CG . 50135 1 783 . 1 . 1 157 157 MET CE C 13 16.900 0.1 . . . . . . . 157 M CE . 50135 1 784 . 1 . 1 157 157 MET N N 15 117.600 0.1 . . . . . . . 157 M N . 50135 1 785 . 1 . 1 158 158 PHE C C 13 176.800 0.1 . . . . . . . 158 F C . 50135 1 786 . 1 . 1 158 158 PHE CA C 13 55.400 0.1 . . . . . . . 158 F CA . 50135 1 787 . 1 . 1 158 158 PHE CB C 13 41.300 0.1 . . . . . . . 158 F CB . 50135 1 788 . 1 . 1 158 158 PHE CG C 13 139.600 0.1 . . . . . . . 158 F CG . 50135 1 789 . 1 . 1 158 158 PHE N N 15 124.300 0.1 . . . . . . . 158 F N . 50135 1 790 . 1 . 1 159 159 ALA C C 13 175.300 0.1 . . . . . . . 159 A C . 50135 1 791 . 1 . 1 159 159 ALA CA C 13 54.712 0.1 . . . . . . . 159 A CA . 50135 1 792 . 1 . 1 159 159 ALA CB C 13 19.200 0.1 . . . . . . . 159 A CB . 50135 1 793 . 1 . 1 159 159 ALA N N 15 118.300 0.1 . . . . . . . 159 A N . 50135 1 794 . 1 . 1 160 160 ARG C C 13 174.700 0.1 . . . . . . . 160 R C . 50135 1 795 . 1 . 1 160 160 ARG CA C 13 54.300 0.1 . . . . . . . 160 R CA . 50135 1 796 . 1 . 1 160 160 ARG CB C 13 34.600 0.1 . . . . . . . 160 R CB . 50135 1 797 . 1 . 1 160 160 ARG CG C 13 27.600 0.1 . . . . . . . 160 R CG . 50135 1 798 . 1 . 1 160 160 ARG CD C 13 44.000 0.1 . . . . . . . 160 R CD . 50135 1 799 . 1 . 1 160 160 ARG N N 15 122.700 0.1 . . . . . . . 160 R N . 50135 1 800 . 1 . 1 161 161 HIS C C 13 176.100 0.1 . . . . . . . 161 H C . 50135 1 801 . 1 . 1 161 161 HIS CA C 13 53.800 0.1 . . . . . . . 161 H CA . 50135 1 802 . 1 . 1 161 161 HIS CB C 13 32.800 0.1 . . . . . . . 161 H CB . 50135 1 803 . 1 . 1 161 161 HIS CG C 13 128.300 0.1 . . . . . . . 161 H CG . 50135 1 804 . 1 . 1 161 161 HIS N N 15 120.600 0.1 . . . . . . . 161 H N . 50135 1 805 . 1 . 1 162 162 ALA C C 13 175.200 0.1 . . . . . . . 162 A C . 50135 1 806 . 1 . 1 162 162 ALA CA C 13 53.400 0.1 . . . . . . . 162 A CA . 50135 1 807 . 1 . 1 162 162 ALA CB C 13 21.700 0.1 . . . . . . . 162 A CB . 50135 1 808 . 1 . 1 162 162 ALA N N 15 123.300 0.1 . . . . . . . 162 A N . 50135 1 809 . 1 . 1 163 163 ILE C C 13 177.531 0.1 . . . . . . . 163 I C . 50135 1 810 . 1 . 1 163 163 ILE CA C 13 57.833 0.1 . . . . . . . 163 I CA . 50135 1 811 . 1 . 1 163 163 ILE CB C 13 42.659 0.1 . . . . . . . 163 I CB . 50135 1 812 . 1 . 1 163 163 ILE CG1 C 13 28.300 0.1 . . . . . . . 163 I CG1 . 50135 1 813 . 1 . 1 163 163 ILE CG2 C 13 18.152 0.1 . . . . . . . 163 I CG2 . 50135 1 814 . 1 . 1 163 163 ILE CD1 C 13 13.250 0.1 . . . . . . . 163 I CD . 50135 1 815 . 1 . 1 163 163 ILE N N 15 117.650 0.1 . . . . . . . 163 I N . 50135 1 816 . 1 . 1 164 164 VAL C C 13 174.989 0.1 . . . . . . . 164 V C . 50135 1 817 . 1 . 1 164 164 VAL CA C 13 59.902 0.1 . . . . . . . 164 V CA . 50135 1 818 . 1 . 1 164 164 VAL CB C 13 32.501 0.1 . . . . . . . 164 V CB . 50135 1 819 . 1 . 1 164 164 VAL CG1 C 13 22.000 0.1 . . . . . . . 164 V CG1 . 50135 1 820 . 1 . 1 164 164 VAL CG2 C 13 21.399 0.1 . . . . . . . 164 V CG2 . 50135 1 821 . 1 . 1 164 164 VAL N N 15 118.657 0.1 . . . . . . . 164 V N . 50135 1 822 . 1 . 1 165 165 ARG C C 13 175.700 0.1 . . . . . . . 165 R C . 50135 1 823 . 1 . 1 165 165 ARG CA C 13 56.059 0.1 . . . . . . . 165 R CA . 50135 1 824 . 1 . 1 165 165 ARG CB C 13 31.215 0.1 . . . . . . . 165 R CB . 50135 1 825 . 1 . 1 165 165 ARG CG C 13 26.900 0.1 . . . . . . . 165 R CG . 50135 1 826 . 1 . 1 165 165 ARG CD C 13 42.251 0.1 . . . . . . . 165 R CD . 50135 1 827 . 1 . 1 165 165 ARG N N 15 122.600 0.1 . . . . . . . 165 R N . 50135 1 828 . 1 . 1 166 166 PRO C C 13 176.200 0.1 . . . . . . . 166 P C . 50135 1 829 . 1 . 1 166 166 PRO CA C 13 62.800 0.1 . . . . . . . 166 P CA . 50135 1 830 . 1 . 1 166 166 PRO CB C 13 32.100 0.1 . . . . . . . 166 P CB . 50135 1 831 . 1 . 1 166 166 PRO CG C 13 27.002 0.1 . . . . . . . 166 P CG . 50135 1 832 . 1 . 1 166 166 PRO CD C 13 51.500 0.1 . . . . . . . 166 P CD . 50135 1 833 . 1 . 1 166 166 PRO N N 15 132.000 0.1 . . . . . . . 166 P N . 50135 1 834 . 1 . 1 167 167 PHE C C 13 177.772 0.1 . . . . . . . 167 F C . 50135 1 835 . 1 . 1 167 167 PHE CA C 13 55.099 0.1 . . . . . . . 167 F CA . 50135 1 836 . 1 . 1 167 167 PHE CB C 13 41.502 0.1 . . . . . . . 167 F CB . 50135 1 837 . 1 . 1 167 167 PHE CG C 13 140.000 0.1 . . . . . . . 167 F CG . 50135 1 838 . 1 . 1 167 167 PHE N N 15 120.700 0.1 . . . . . . . 167 F N . 50135 1 839 . 1 . 1 168 168 ASN C C 13 177.000 0.1 . . . . . . . 168 N C . 50135 1 840 . 1 . 1 168 168 ASN CA C 13 55.203 0.1 . . . . . . . 168 N CA . 50135 1 841 . 1 . 1 168 168 ASN CB C 13 35.300 0.1 . . . . . . . 168 N CB . 50135 1 842 . 1 . 1 168 168 ASN CG C 13 176.001 0.1 . . . . . . . 168 N CG . 50135 1 843 . 1 . 1 168 168 ASN N N 15 121.000 0.1 . . . . . . . 168 N N . 50135 1 844 . 1 . 1 169 169 GLY C C 13 174.200 0.1 . . . . . . . 169 G C . 50135 1 845 . 1 . 1 169 169 GLY CA C 13 45.106 0.1 . . . . . . . 169 G CA . 50135 1 846 . 1 . 1 169 169 GLY N N 15 107.703 0.1 . . . . . . . 169 G N . 50135 1 847 . 1 . 1 170 170 ARG C C 13 175.305 0.1 . . . . . . . 170 R C . 50135 1 848 . 1 . 1 170 170 ARG CA C 13 53.609 0.1 . . . . . . . 170 R CA . 50135 1 849 . 1 . 1 170 170 ARG CB C 13 33.000 0.1 . . . . . . . 170 R CB . 50135 1 850 . 1 . 1 170 170 ARG CG C 13 26.600 0.1 . . . . . . . 170 R CG . 50135 1 851 . 1 . 1 170 170 ARG CD C 13 47.000 0.1 . . . . . . . 170 R CD . 50135 1 852 . 1 . 1 170 170 ARG N N 15 120.500 0.1 . . . . . . . 170 R N . 50135 1 853 . 1 . 1 171 171 MET C C 13 174.501 0.1 . . . . . . . 171 M C . 50135 1 854 . 1 . 1 171 171 MET CA C 13 53.718 0.1 . . . . . . . 171 M CA . 50135 1 855 . 1 . 1 171 171 MET CB C 13 30.703 0.1 . . . . . . . 171 M CB . 50135 1 856 . 1 . 1 171 171 MET CG C 13 29.201 0.1 . . . . . . . 171 M CG . 50135 1 857 . 1 . 1 171 171 MET CE C 13 17.500 0.1 . . . . . . . 171 M CE . 50135 1 858 . 1 . 1 171 171 MET N N 15 115.800 0.1 . . . . . . . 171 M N . 50135 1 859 . 1 . 1 172 172 THR C C 13 174.565 0.1 . . . . . . . 172 T C . 50135 1 860 . 1 . 1 172 172 THR CA C 13 58.901 0.1 . . . . . . . 172 T CA . 50135 1 861 . 1 . 1 172 172 THR CB C 13 71.889 0.1 . . . . . . . 172 T CB . 50135 1 862 . 1 . 1 172 172 THR CG2 C 13 21.937 0.1 . . . . . . . 172 T CG . 50135 1 863 . 1 . 1 172 172 THR N N 15 111.770 0.1 . . . . . . . 172 T N . 50135 1 864 . 1 . 1 173 173 LEU C C 13 176.302 0.1 . . . . . . . 173 L C . 50135 1 865 . 1 . 1 173 173 LEU CA C 13 54.851 0.1 . . . . . . . 173 L CA . 50135 1 866 . 1 . 1 173 173 LEU CB C 13 44.503 0.1 . . . . . . . 173 L CB . 50135 1 867 . 1 . 1 173 173 LEU CG C 13 25.852 0.1 . . . . . . . 173 L CG . 50135 1 868 . 1 . 1 173 173 LEU CD1 C 13 22.609 0.1 . . . . . . . 173 L CD1 . 50135 1 869 . 1 . 1 173 173 LEU CD2 C 13 22.102 0.1 . . . . . . . 173 L CD2 . 50135 1 870 . 1 . 1 173 173 LEU N N 15 116.810 0.1 . . . . . . . 173 L N . 50135 1 871 . 1 . 1 174 174 MET C C 13 178.017 0.1 . . . . . . . 174 M C . 50135 1 872 . 1 . 1 174 174 MET CA C 13 55.510 0.1 . . . . . . . 174 M CA . 50135 1 873 . 1 . 1 174 174 MET CB C 13 36.603 0.1 . . . . . . . 174 M CB . 50135 1 874 . 1 . 1 174 174 MET CG C 13 31.599 0.1 . . . . . . . 174 M CG . 50135 1 875 . 1 . 1 174 174 MET CE C 13 18.102 0.1 . . . . . . . 174 M CE . 50135 1 876 . 1 . 1 174 174 MET N N 15 121.160 0.1 . . . . . . . 174 M N . 50135 1 877 . 1 . 1 175 175 VAL C C 13 176.503 0.1 . . . . . . . 175 V C . 50135 1 878 . 1 . 1 175 175 VAL CA C 13 61.300 0.1 . . . . . . . 175 V CA . 50135 1 879 . 1 . 1 175 175 VAL CB C 13 34.181 0.1 . . . . . . . 175 V CB . 50135 1 880 . 1 . 1 175 175 VAL CG1 C 13 22.700 0.1 . . . . . . . 175 V CG1 . 50135 1 881 . 1 . 1 175 175 VAL CG2 C 13 21.300 0.1 . . . . . . . 175 V CG2 . 50135 1 882 . 1 . 1 175 175 VAL N N 15 121.805 0.1 . . . . . . . 175 V N . 50135 1 883 . 1 . 1 176 176 ARG C C 13 175.902 0.1 . . . . . . . 176 R C . 50135 1 884 . 1 . 1 176 176 ARG CA C 13 55.120 0.1 . . . . . . . 176 R CA . 50135 1 885 . 1 . 1 176 176 ARG CB C 13 32.706 0.1 . . . . . . . 176 R CB . 50135 1 886 . 1 . 1 176 176 ARG CG C 13 27.510 0.1 . . . . . . . 176 R CG . 50135 1 887 . 1 . 1 176 176 ARG CD C 13 41.800 0.1 . . . . . . . 176 R CD . 50135 1 888 . 1 . 1 176 176 ARG N N 15 121.020 0.1 . . . . . . . 176 R N . 50135 1 889 . 1 . 1 177 177 ALA C C 13 176.400 0.1 . . . . . . . 177 A C . 50135 1 890 . 1 . 1 177 177 ALA CA C 13 52.599 0.1 . . . . . . . 177 A CA . 50135 1 891 . 1 . 1 177 177 ALA CB C 13 19.600 0.1 . . . . . . . 177 A CB . 50135 1 892 . 1 . 1 177 177 ALA N N 15 124.400 0.1 . . . . . . . 177 A N . 50135 1 893 . 1 . 1 178 178 ALA C C 13 178.000 0.1 . . . . . . . 178 A C . 50135 1 894 . 1 . 1 178 178 ALA CA C 13 52.233 0.1 . . . . . . . 178 A CA . 50135 1 895 . 1 . 1 178 178 ALA CB C 13 19.901 0.1 . . . . . . . 178 A CB . 50135 1 896 . 1 . 1 178 178 ALA N N 15 120.400 0.1 . . . . . . . 178 A N . 50135 1 897 . 1 . 1 179 179 ASN C C 13 176.367 0.1 . . . . . . . 179 N C . 50135 1 898 . 1 . 1 179 179 ASN CA C 13 53.202 0.1 . . . . . . . 179 N CA . 50135 1 899 . 1 . 1 179 179 ASN CB C 13 37.107 0.1 . . . . . . . 179 N CB . 50135 1 900 . 1 . 1 179 179 ASN CG C 13 178.500 0.1 . . . . . . . 179 N CG . 50135 1 901 . 1 . 1 179 179 ASN N N 15 113.200 0.1 . . . . . . . 179 N N . 50135 1 902 . 1 . 1 180 180 ALA C C 13 174.600 0.1 . . . . . . . 180 A C . 50135 1 903 . 1 . 1 180 180 ALA CA C 13 53.800 0.1 . . . . . . . 180 A CA . 50135 1 904 . 1 . 1 180 180 ALA CB C 13 18.200 0.1 . . . . . . . 180 A CB . 50135 1 905 . 1 . 1 180 180 ALA N N 15 121.200 0.1 . . . . . . . 180 A N . 50135 1 906 . 1 . 1 181 181 ARG C C 13 174.501 0.1 . . . . . . . 181 R C . 50135 1 907 . 1 . 1 181 181 ARG CA C 13 56.400 0.1 . . . . . . . 181 R CA . 50135 1 908 . 1 . 1 181 181 ARG CB C 13 29.502 0.1 . . . . . . . 181 R CB . 50135 1 909 . 1 . 1 181 181 ARG CG C 13 27.418 0.1 . . . . . . . 181 R CG . 50135 1 910 . 1 . 1 181 181 ARG CD C 13 43.167 0.1 . . . . . . . 181 R CD . 50135 1 911 . 1 . 1 181 181 ARG N N 15 118.300 0.1 . . . . . . . 181 R N . 50135 1 912 . 1 . 1 182 182 GLN C C 13 176.252 0.1 . . . . . . . 182 Q C . 50135 1 913 . 1 . 1 182 182 GLN CA C 13 54.402 0.1 . . . . . . . 182 Q CA . 50135 1 914 . 1 . 1 182 182 GLN CB C 13 29.800 0.1 . . . . . . . 182 Q CB . 50135 1 915 . 1 . 1 182 182 GLN CG C 13 31.550 0.1 . . . . . . . 182 Q CG . 50135 1 916 . 1 . 1 182 182 GLN CD C 13 180.609 0.1 . . . . . . . 182 Q CD . 50135 1 917 . 1 . 1 182 182 GLN N N 15 121.800 0.1 . . . . . . . 182 Q N . 50135 1 918 . 1 . 1 183 183 ASN C C 13 177.404 0.1 . . . . . . . 183 N C . 50135 1 919 . 1 . 1 183 183 ASN CA C 13 55.611 0.1 . . . . . . . 183 N CA . 50135 1 920 . 1 . 1 183 183 ASN CB C 13 37.800 0.1 . . . . . . . 183 N CB . 50135 1 921 . 1 . 1 183 183 ASN CG C 13 180.000 0.1 . . . . . . . 183 N CG . 50135 1 922 . 1 . 1 183 183 ASN N N 15 120.400 0.1 . . . . . . . 183 N N . 50135 1 923 . 1 . 1 184 184 VAL C C 13 178.001 0.1 . . . . . . . 184 V C . 50135 1 924 . 1 . 1 184 184 VAL CA C 13 66.620 0.1 . . . . . . . 184 V CA . 50135 1 925 . 1 . 1 184 184 VAL CB C 13 31.600 0.1 . . . . . . . 184 V CB . 50135 1 926 . 1 . 1 184 184 VAL CG1 C 13 23.400 0.1 . . . . . . . 184 V CG1 . 50135 1 927 . 1 . 1 184 184 VAL CG2 C 13 21.900 0.1 . . . . . . . 184 V CG2 . 50135 1 928 . 1 . 1 184 184 VAL N N 15 117.000 0.1 . . . . . . . 184 V N . 50135 1 929 . 1 . 1 185 185 ILE C C 13 177.900 0.1 . . . . . . . 185 I C . 50135 1 930 . 1 . 1 185 185 ILE CA C 13 59.803 0.1 . . . . . . . 185 I CA . 50135 1 931 . 1 . 1 185 185 ILE CB C 13 42.300 0.1 . . . . . . . 185 I CB . 50135 1 932 . 1 . 1 185 185 ILE CG1 C 13 28.500 0.1 . . . . . . . 185 I CG1 . 50135 1 933 . 1 . 1 185 185 ILE CG2 C 13 17.800 0.1 . . . . . . . 185 I CG2 . 50135 1 934 . 1 . 1 185 185 ILE CD1 C 13 15.100 0.1 . . . . . . . 185 I CD . 50135 1 935 . 1 . 1 185 185 ILE N N 15 120.004 0.1 . . . . . . . 185 I N . 50135 1 936 . 1 . 1 186 186 ALA C C 13 175.108 0.1 . . . . . . . 186 A C . 50135 1 937 . 1 . 1 186 186 ALA CA C 13 53.254 0.1 . . . . . . . 186 A CA . 50135 1 938 . 1 . 1 186 186 ALA CB C 13 19.411 0.1 . . . . . . . 186 A CB . 50135 1 939 . 1 . 1 186 186 ALA N N 15 118.800 0.1 . . . . . . . 186 A N . 50135 1 940 . 1 . 1 187 187 GLU C C 13 174.122 0.1 . . . . . . . 187 E C . 50135 1 941 . 1 . 1 187 187 GLU CA C 13 53.800 0.1 . . . . . . . 187 E CA . 50135 1 942 . 1 . 1 187 187 GLU CB C 13 31.632 0.1 . . . . . . . 187 E CB . 50135 1 943 . 1 . 1 187 187 GLU CG C 13 35.507 0.1 . . . . . . . 187 E CG . 50135 1 944 . 1 . 1 187 187 GLU CD C 13 182.302 0.1 . . . . . . . 187 E CD . 50135 1 945 . 1 . 1 187 187 GLU N N 15 125.800 0.1 . . . . . . . 187 E N . 50135 1 946 . 1 . 1 188 188 ALA C C 13 175.308 0.1 . . . . . . . 188 A C . 50135 1 947 . 1 . 1 188 188 ALA CA C 13 51.104 0.1 . . . . . . . 188 A CA . 50135 1 948 . 1 . 1 188 188 ALA CB C 13 20.701 0.1 . . . . . . . 188 A CB . 50135 1 949 . 1 . 1 188 188 ALA N N 15 126.800 0.1 . . . . . . . 188 A N . 50135 1 950 . 1 . 1 189 189 ARG C C 13 175.222 0.1 . . . . . . . 189 R C . 50135 1 951 . 1 . 1 189 189 ARG CA C 13 54.310 0.1 . . . . . . . 189 R CA . 50135 1 952 . 1 . 1 189 189 ARG CB C 13 32.604 0.1 . . . . . . . 189 R CB . 50135 1 953 . 1 . 1 189 189 ARG CG C 13 26.602 0.1 . . . . . . . 189 R CG . 50135 1 954 . 1 . 1 189 189 ARG CD C 13 43.900 0.1 . . . . . . . 189 R CD . 50135 1 955 . 1 . 1 189 189 ARG N N 15 121.500 0.1 . . . . . . . 189 R N . 50135 1 956 . 1 . 1 190 190 ALA C C 13 176.009 0.1 . . . . . . . 190 A C . 50135 1 957 . 1 . 1 190 190 ALA CA C 13 52.639 0.1 . . . . . . . 190 A CA . 50135 1 958 . 1 . 1 190 190 ALA CB C 13 19.132 0.1 . . . . . . . 190 A CB . 50135 1 959 . 1 . 1 190 190 ALA N N 15 127.800 0.1 . . . . . . . 190 A N . 50135 1 960 . 1 . 1 191 191 LYS C C 13 174.712 0.1 . . . . . . . 191 K C . 50135 1 961 . 1 . 1 191 191 LYS CA C 13 54.400 0.1 . . . . . . . 191 K CA . 50135 1 962 . 1 . 1 191 191 LYS CB C 13 32.400 0.1 . . . . . . . 191 K CB . 50135 1 963 . 1 . 1 191 191 LYS CG C 13 25.240 0.1 . . . . . . . 191 K CG . 50135 1 964 . 1 . 1 191 191 LYS CD C 13 29.029 0.1 . . . . . . . 191 K CD . 50135 1 965 . 1 . 1 191 191 LYS CE C 13 42.776 0.1 . . . . . . . 191 K CE . 50135 1 966 . 1 . 1 191 191 LYS N N 15 116.800 0.1 . . . . . . . 191 K N . 50135 1 967 . 1 . 1 192 192 MET C C 13 174.529 0.1 . . . . . . . 192 M C . 50135 1 968 . 1 . 1 192 192 MET CA C 13 54.000 0.1 . . . . . . . 192 M CA . 50135 1 969 . 1 . 1 192 192 MET CB C 13 34.300 0.1 . . . . . . . 192 M CB . 50135 1 970 . 1 . 1 192 192 MET CG C 13 33.000 0.1 . . . . . . . 192 M CG . 50135 1 971 . 1 . 1 192 192 MET CE C 13 17.900 0.1 . . . . . . . 192 M CE . 50135 1 972 . 1 . 1 192 192 MET N N 15 124.000 0.1 . . . . . . . 192 M N . 50135 1 973 . 1 . 1 193 193 ARG C C 13 174.606 0.1 . . . . . . . 193 R C . 50135 1 974 . 1 . 1 193 193 ARG CA C 13 53.110 0.1 . . . . . . . 193 R CA . 50135 1 975 . 1 . 1 193 193 ARG CB C 13 33.700 0.1 . . . . . . . 193 R CB . 50135 1 976 . 1 . 1 193 193 ARG CG C 13 26.600 0.1 . . . . . . . 193 R CG . 50135 1 977 . 1 . 1 193 193 ARG CD C 13 45.800 0.1 . . . . . . . 193 R CD . 50135 1 978 . 1 . 1 193 193 ARG N N 15 123.300 0.1 . . . . . . . 193 R N . 50135 1 979 . 1 . 1 194 194 LEU C C 13 174.404 0.1 . . . . . . . 194 L C . 50135 1 980 . 1 . 1 194 194 LEU CA C 13 54.600 0.1 . . . . . . . 194 L CA . 50135 1 981 . 1 . 1 194 194 LEU CB C 13 41.000 0.1 . . . . . . . 194 L CB . 50135 1 982 . 1 . 1 194 194 LEU CG C 13 27.800 0.1 . . . . . . . 194 L CG . 50135 1 983 . 1 . 1 194 194 LEU CD1 C 13 23.620 0.1 . . . . . . . 194 L CD1 . 50135 1 984 . 1 . 1 194 194 LEU CD2 C 13 23.350 0.1 . . . . . . . 194 L CD2 . 50135 1 985 . 1 . 1 194 194 LEU N N 15 124.100 0.1 . . . . . . . 194 L N . 50135 1 986 . 1 . 1 195 195 MET C C 13 175.592 0.1 . . . . . . . 195 M C . 50135 1 987 . 1 . 1 195 195 MET CA C 13 55.010 0.1 . . . . . . . 195 M CA . 50135 1 988 . 1 . 1 195 195 MET CB C 13 36.209 0.1 . . . . . . . 195 M CB . 50135 1 989 . 1 . 1 195 195 MET CG C 13 32.843 0.1 . . . . . . . 195 M CG . 50135 1 990 . 1 . 1 195 195 MET CE C 13 18.839 0.1 . . . . . . . 195 M CE . 50135 1 991 . 1 . 1 195 195 MET N N 15 115.400 0.1 . . . . . . . 195 M N . 50135 1 992 . 1 . 1 196 196 ARG C C 13 176.042 0.1 . . . . . . . 196 R C . 50135 1 993 . 1 . 1 196 196 ARG CA C 13 56.566 0.1 . . . . . . . 196 R CA . 50135 1 994 . 1 . 1 196 196 ARG CB C 13 31.320 0.1 . . . . . . . 196 R CB . 50135 1 995 . 1 . 1 196 196 ARG CG C 13 26.361 0.1 . . . . . . . 196 R CG . 50135 1 996 . 1 . 1 196 196 ARG CD C 13 41.648 0.1 . . . . . . . 196 R CD . 50135 1 997 . 1 . 1 196 196 ARG N N 15 113.401 0.1 . . . . . . . 196 R N . 50135 1 998 . 1 . 1 197 197 ARG C C 13 175.104 0.1 . . . . . . . 197 R C . 50135 1 999 . 1 . 1 197 197 ARG CA C 13 56.309 0.1 . . . . . . . 197 R CA . 50135 1 1000 . 1 . 1 197 197 ARG CB C 13 31.710 0.1 . . . . . . . 197 R CB . 50135 1 1001 . 1 . 1 197 197 ARG CG C 13 26.909 0.1 . . . . . . . 197 R CG . 50135 1 1002 . 1 . 1 197 197 ARG CD C 13 43.000 0.1 . . . . . . . 197 R CD . 50135 1 1003 . 1 . 1 197 197 ARG N N 15 119.397 0.1 . . . . . . . 197 R N . 50135 1 1004 . 1 . 1 198 198 GLU C C 13 176.991 0.1 . . . . . . . 198 E C . 50135 1 1005 . 1 . 1 198 198 GLU CA C 13 58.807 0.1 . . . . . . . 198 E CA . 50135 1 1006 . 1 . 1 198 198 GLU CB C 13 30.631 0.1 . . . . . . . 198 E CB . 50135 1 1007 . 1 . 1 198 198 GLU CG C 13 35.899 0.1 . . . . . . . 198 E CG . 50135 1 1008 . 1 . 1 198 198 GLU CD C 13 182.400 0.1 . . . . . . . 198 E CD . 50135 1 1009 . 1 . 1 198 198 GLU N N 15 118.495 0.1 . . . . . . . 198 E N . 50135 1 1010 . 1 . 1 199 199 HIS C C 13 177.460 0.1 . . . . . . . 199 H C . 50135 1 1011 . 1 . 1 199 199 HIS CA C 13 56.597 0.1 . . . . . . . 199 H CA . 50135 1 1012 . 1 . 1 199 199 HIS CB C 13 31.529 0.1 . . . . . . . 199 H CB . 50135 1 1013 . 1 . 1 199 199 HIS CG C 13 131.729 0.1 . . . . . . . 199 H CG . 50135 1 1014 . 1 . 1 199 199 HIS N N 15 120.097 0.1 . . . . . . . 199 H N . 50135 1 1015 . 1 . 1 200 200 SER C C 13 177.939 0.1 . . . . . . . 200 S C . 50135 1 1016 . 1 . 1 200 200 SER CA C 13 58.117 0.1 . . . . . . . 200 S CA . 50135 1 1017 . 1 . 1 200 200 SER CB C 13 63.879 0.1 . . . . . . . 200 S CB . 50135 1 1018 . 1 . 1 200 200 SER N N 15 115.301 0.1 . . . . . . . 200 S N . 50135 1 1019 . 1 . 1 201 201 SER C C 13 176.973 0.1 . . . . . . . 201 S C . 50135 1 1020 . 1 . 1 201 201 SER CA C 13 55.416 0.1 . . . . . . . 201 S CA . 50135 1 1021 . 1 . 1 201 201 SER CB C 13 64.202 0.1 . . . . . . . 201 S CB . 50135 1 1022 . 1 . 1 201 201 SER N N 15 116.494 0.1 . . . . . . . 201 S N . 50135 1 1023 . 1 . 1 202 202 GLU C C 13 175.439 0.1 . . . . . . . 202 E C . 50135 1 1024 . 1 . 1 202 202 GLU CA C 13 57.428 0.1 . . . . . . . 202 E CA . 50135 1 1025 . 1 . 1 202 202 GLU CB C 13 29.754 0.1 . . . . . . . 202 E CB . 50135 1 1026 . 1 . 1 202 202 GLU CG C 13 37.402 0.1 . . . . . . . 202 E CG . 50135 1 1027 . 1 . 1 202 202 GLU CD C 13 182.800 0.1 . . . . . . . 202 E CD . 50135 1 1028 . 1 . 1 202 202 GLU N N 15 120.007 0.1 . . . . . . . 202 E N . 50135 1 1029 . 1 . 1 203 203 GLY C C 13 175.656 0.1 . . . . . . . 203 G C . 50135 1 1030 . 1 . 1 203 203 GLY CA C 13 47.607 0.1 . . . . . . . 203 G CA . 50135 1 1031 . 1 . 1 203 203 GLY N N 15 106.188 0.1 . . . . . . . 203 G N . 50135 1 1032 . 1 . 1 204 204 TYR C C 13 176.503 0.1 . . . . . . . 204 Y C . 50135 1 1033 . 1 . 1 204 204 TYR CA C 13 59.425 0.1 . . . . . . . 204 Y CA . 50135 1 1034 . 1 . 1 204 204 TYR CB C 13 37.033 0.1 . . . . . . . 204 Y CB . 50135 1 1035 . 1 . 1 204 204 TYR CG C 13 131.333 0.1 . . . . . . . 204 Y CG . 50135 1 1036 . 1 . 1 204 204 TYR N N 15 120.197 0.1 . . . . . . . 204 Y N . 50135 1 1037 . 1 . 1 205 205 SER C C 13 176.200 0.1 . . . . . . . 205 S C . 50135 1 1038 . 1 . 1 205 205 SER CA C 13 55.809 0.1 . . . . . . . 205 S CA . 50135 1 1039 . 1 . 1 205 205 SER CB C 13 63.701 0.1 . . . . . . . 205 S CB . 50135 1 1040 . 1 . 1 205 205 SER N N 15 119.900 0.1 . . . . . . . 205 S N . 50135 1 1041 . 1 . 1 206 206 LEU C C 13 176.339 0.1 . . . . . . . 206 L C . 50135 1 1042 . 1 . 1 206 206 LEU CA C 13 54.602 0.1 . . . . . . . 206 L CA . 50135 1 1043 . 1 . 1 206 206 LEU CB C 13 42.381 0.1 . . . . . . . 206 L CB . 50135 1 1044 . 1 . 1 206 206 LEU CG C 13 28.294 0.1 . . . . . . . 206 L CG . 50135 1 1045 . 1 . 1 206 206 LEU CD1 C 13 25.601 0.1 . . . . . . . 206 L CD1 . 50135 1 1046 . 1 . 1 206 206 LEU CD2 C 13 26.799 0.1 . . . . . . . 206 L CD2 . 50135 1 1047 . 1 . 1 206 206 LEU N N 15 121.920 0.1 . . . . . . . 206 L N . 50135 1 1048 . 1 . 1 207 207 MET C C 13 175.741 0.1 . . . . . . . 207 M C . 50135 1 1049 . 1 . 1 207 207 MET CA C 13 54.401 0.1 . . . . . . . 207 M CA . 50135 1 1050 . 1 . 1 207 207 MET CB C 13 33.699 0.1 . . . . . . . 207 M CB . 50135 1 1051 . 1 . 1 207 207 MET CG C 13 31.902 0.1 . . . . . . . 207 M CG . 50135 1 1052 . 1 . 1 207 207 MET CE C 13 18.037 0.1 . . . . . . . 207 M CE . 50135 1 1053 . 1 . 1 207 207 MET N N 15 121.215 0.1 . . . . . . . 207 M N . 50135 1 1054 . 1 . 1 208 208 LYS C C 13 176.538 0.1 . . . . . . . 208 K C . 50135 1 1055 . 1 . 1 208 208 LYS CA C 13 54.900 0.1 . . . . . . . 208 K CA . 50135 1 1056 . 1 . 1 208 208 LYS CB C 13 32.609 0.1 . . . . . . . 208 K CB . 50135 1 1057 . 1 . 1 208 208 LYS CG C 13 24.829 0.1 . . . . . . . 208 K CG . 50135 1 1058 . 1 . 1 208 208 LYS CD C 13 29.514 0.1 . . . . . . . 208 K CD . 50135 1 1059 . 1 . 1 208 208 LYS CE C 13 40.819 0.1 . . . . . . . 208 K CE . 50135 1 1060 . 1 . 1 208 208 LYS N N 15 117.170 0.1 . . . . . . . 208 K N . 50135 1 1061 . 1 . 1 209 209 ILE C C 13 177.508 0.1 . . . . . . . 209 I C . 50135 1 1062 . 1 . 1 209 209 ILE CA C 13 58.898 0.1 . . . . . . . 209 I CA . 50135 1 1063 . 1 . 1 209 209 ILE CB C 13 42.005 0.1 . . . . . . . 209 I CB . 50135 1 1064 . 1 . 1 209 209 ILE CG1 C 13 27.202 0.1 . . . . . . . 209 I CG1 . 50135 1 1065 . 1 . 1 209 209 ILE CG2 C 13 18.100 0.1 . . . . . . . 209 I CG2 . 50135 1 1066 . 1 . 1 209 209 ILE CD1 C 13 13.700 0.1 . . . . . . . 209 I CD1 . 50135 1 1067 . 1 . 1 209 209 ILE N N 15 118.700 0.1 . . . . . . . 209 I N . 50135 1 1068 . 1 . 1 210 210 HIS C C 13 178.100 0.1 . . . . . . . 210 H C . 50135 1 1069 . 1 . 1 210 210 HIS CA C 13 55.349 0.1 . . . . . . . 210 H CA . 50135 1 1070 . 1 . 1 210 210 HIS CB C 13 32.500 0.1 . . . . . . . 210 H CB . 50135 1 1071 . 1 . 1 210 210 HIS CG C 13 130.700 0.1 . . . . . . . 210 H CG . 50135 1 1072 . 1 . 1 210 210 HIS N N 15 124.000 0.1 . . . . . . . 210 H N . 50135 1 1073 . 1 . 1 211 211 ASP C C 13 176.100 0.1 . . . . . . . 211 D C . 50135 1 1074 . 1 . 1 211 211 ASP CA C 13 54.003 0.1 . . . . . . . 211 D CA . 50135 1 1075 . 1 . 1 211 211 ASP CB C 13 39.902 0.1 . . . . . . . 211 D CB . 50135 1 1076 . 1 . 1 211 211 ASP CG C 13 178.930 0.1 . . . . . . . 211 D CG . 50135 1 1077 . 1 . 1 211 211 ASP N N 15 122.770 0.1 . . . . . . . 211 D N . 50135 1 1078 . 1 . 1 212 212 LEU C C 13 177.839 0.1 . . . . . . . 212 L C . 50135 1 1079 . 1 . 1 212 212 LEU CA C 13 55.603 0.1 . . . . . . . 212 L CA . 50135 1 1080 . 1 . 1 212 212 LEU CB C 13 41.603 0.1 . . . . . . . 212 L CB . 50135 1 1081 . 1 . 1 212 212 LEU CG C 13 25.904 0.1 . . . . . . . 212 L CG . 50135 1 1082 . 1 . 1 212 212 LEU CD1 C 13 23.295 0.1 . . . . . . . 212 L CD1 . 50135 1 1083 . 1 . 1 212 212 LEU CD2 C 13 21.803 0.1 . . . . . . . 212 L CD2 . 50135 1 1084 . 1 . 1 212 212 LEU N N 15 117.800 0.1 . . . . . . . 212 L N . 50135 1 1085 . 1 . 1 213 213 LYS C C 13 177.602 0.1 . . . . . . . 213 K C . 50135 1 1086 . 1 . 1 213 213 LYS CA C 13 58.102 0.1 . . . . . . . 213 K CA . 50135 1 1087 . 1 . 1 213 213 LYS CB C 13 31.700 0.1 . . . . . . . 213 K CB . 50135 1 1088 . 1 . 1 213 213 LYS CG C 13 26.502 0.1 . . . . . . . 213 K CG . 50135 1 1089 . 1 . 1 213 213 LYS CD C 13 27.804 0.1 . . . . . . . 213 K CD . 50135 1 1090 . 1 . 1 213 213 LYS CE C 13 41.604 0.1 . . . . . . . 213 K CE . 50135 1 1091 . 1 . 1 213 213 LYS N N 15 118.010 0.1 . . . . . . . 213 K N . 50135 1 1092 . 1 . 1 214 214 LEU C C 13 179.500 0.1 . . . . . . . 214 L C . 50135 1 1093 . 1 . 1 214 214 LEU CA C 13 58.002 0.1 . . . . . . . 214 L CA . 50135 1 1094 . 1 . 1 214 214 LEU CB C 13 40.810 0.1 . . . . . . . 214 L CB . 50135 1 1095 . 1 . 1 214 214 LEU CG C 13 27.610 0.1 . . . . . . . 214 L CG . 50135 1 1096 . 1 . 1 214 214 LEU CD1 C 13 22.810 0.1 . . . . . . . 214 L CD1 . 50135 1 1097 . 1 . 1 214 214 LEU CD2 C 13 22.130 0.1 . . . . . . . 214 L CD2 . 50135 1 1098 . 1 . 1 214 214 LEU N N 15 116.000 0.1 . . . . . . . 214 L N . 50135 1 1099 . 1 . 1 215 215 VAL C C 13 176.701 0.1 . . . . . . . 215 V C . 50135 1 1100 . 1 . 1 215 215 VAL CA C 13 65.310 0.1 . . . . . . . 215 V CA . 50135 1 1101 . 1 . 1 215 215 VAL CB C 13 31.810 0.1 . . . . . . . 215 V CB . 50135 1 1102 . 1 . 1 215 215 VAL CG1 C 13 22.930 0.1 . . . . . . . 215 V CG1 . 50135 1 1103 . 1 . 1 215 215 VAL CG2 C 13 21.802 0.1 . . . . . . . 215 V CG2 . 50135 1 1104 . 1 . 1 215 215 VAL N N 15 120.040 0.1 . . . . . . . 215 V N . 50135 1 1105 . 1 . 1 216 216 ARG C C 13 179.705 0.1 . . . . . . . 216 R C . 50135 1 1106 . 1 . 1 216 216 ARG CA C 13 59.601 0.1 . . . . . . . 216 R CA . 50135 1 1107 . 1 . 1 216 216 ARG CB C 13 29.805 0.1 . . . . . . . 216 R CB . 50135 1 1108 . 1 . 1 216 216 ARG CG C 13 28.402 0.1 . . . . . . . 216 R CG . 50135 1 1109 . 1 . 1 216 216 ARG CD C 13 42.010 0.1 . . . . . . . 216 R CD . 50135 1 1110 . 1 . 1 216 216 ARG N N 15 117.910 0.1 . . . . . . . 216 R N . 50135 1 1111 . 1 . 1 217 217 ASN C C 13 178.610 0.1 . . . . . . . 217 N C . 50135 1 1112 . 1 . 1 217 217 ASN CA C 13 53.401 0.1 . . . . . . . 217 N CA . 50135 1 1113 . 1 . 1 217 217 ASN CB C 13 42.402 0.1 . . . . . . . 217 N CB . 50135 1 1114 . 1 . 1 217 217 ASN CG C 13 175.101 0.1 . . . . . . . 217 N CG . 50135 1 1115 . 1 . 1 217 217 ASN N N 15 118.610 0.1 . . . . . . . 217 N N . 50135 1 1116 . 1 . 1 218 218 GLU C C 13 177.101 0.1 . . . . . . . 218 E C . 50135 1 1117 . 1 . 1 218 218 GLU CA C 13 58.804 0.1 . . . . . . . 218 E CA . 50135 1 1118 . 1 . 1 218 218 GLU CB C 13 29.431 0.1 . . . . . . . 218 E CB . 50135 1 1119 . 1 . 1 218 218 GLU CG C 13 36.017 0.1 . . . . . . . 218 E CG . 50135 1 1120 . 1 . 1 218 218 GLU CD C 13 181.018 0.1 . . . . . . . 218 E CD . 50135 1 1121 . 1 . 1 218 218 GLU N N 15 117.300 0.1 . . . . . . . 218 E N . 50135 1 1122 . 1 . 1 219 219 HIS C C 13 177.210 0.1 . . . . . . . 219 H C . 50135 1 1123 . 1 . 1 219 219 HIS CA C 13 55.707 0.1 . . . . . . . 219 H CA . 50135 1 1124 . 1 . 1 219 219 HIS CB C 13 31.020 0.1 . . . . . . . 219 H CB . 50135 1 1125 . 1 . 1 219 219 HIS CG C 13 130.600 0.1 . . . . . . . 219 H CG . 50135 1 1126 . 1 . 1 219 219 HIS N N 15 120.600 0.1 . . . . . . . 219 H N . 50135 1 1127 . 1 . 1 220 220 PRO C C 13 179.200 0.1 . . . . . . . 220 P C . 50135 1 1128 . 1 . 1 220 220 PRO CA C 13 64.100 0.1 . . . . . . . 220 P CA . 50135 1 1129 . 1 . 1 220 220 PRO CB C 13 32.300 0.1 . . . . . . . 220 P CB . 50135 1 1130 . 1 . 1 220 220 PRO CG C 13 26.800 0.1 . . . . . . . 220 P CG . 50135 1 1131 . 1 . 1 220 220 PRO CD C 13 50.600 0.1 . . . . . . . 220 P CD . 50135 1 1132 . 1 . 1 220 220 PRO N N 15 142.400 0.1 . . . . . . . 220 P N . 50135 1 1133 . 1 . 1 221 221 ILE C C 13 178.015 0.1 . . . . . . . 221 I C . 50135 1 1134 . 1 . 1 221 221 ILE CA C 13 66.047 0.1 . . . . . . . 221 I CA . 50135 1 1135 . 1 . 1 221 221 ILE CB C 13 38.401 0.1 . . . . . . . 221 I CB . 50135 1 1136 . 1 . 1 221 221 ILE CG1 C 13 29.404 0.1 . . . . . . . 221 I CG1 . 50135 1 1137 . 1 . 1 221 221 ILE CG2 C 13 17.292 0.1 . . . . . . . 221 I CG2 . 50135 1 1138 . 1 . 1 221 221 ILE CD1 C 13 14.100 0.1 . . . . . . . 221 I CD1 . 50135 1 1139 . 1 . 1 221 221 ILE N N 15 118.910 0.1 . . . . . . . 221 I N . 50135 1 1140 . 1 . 1 222 222 PHE C C 13 176.502 0.1 . . . . . . . 222 F C . 50135 1 1141 . 1 . 1 222 222 PHE CA C 13 57.301 0.1 . . . . . . . 222 F CA . 50135 1 1142 . 1 . 1 222 222 PHE CB C 13 41.300 0.1 . . . . . . . 222 F CB . 50135 1 1143 . 1 . 1 222 222 PHE CG C 13 137.700 0.1 . . . . . . . 222 F CG . 50135 1 1144 . 1 . 1 222 222 PHE CD1 C 13 132.100 0.1 . . . . . . . 222 F CD . 50135 1 1145 . 1 . 1 222 222 PHE CD2 C 13 132.100 0.1 . . . . . . . 222 F CD . 50135 1 1146 . 1 . 1 222 222 PHE N N 15 117.000 0.1 . . . . . . . 222 F N . 50135 1 1147 . 1 . 1 223 223 LEU C C 13 176.404 0.1 . . . . . . . 223 L C . 50135 1 1148 . 1 . 1 223 223 LEU CA C 13 56.403 0.1 . . . . . . . 223 L CA . 50135 1 1149 . 1 . 1 223 223 LEU CB C 13 41.804 0.1 . . . . . . . 223 L CB . 50135 1 1150 . 1 . 1 223 223 LEU CG C 13 26.000 0.1 . . . . . . . 223 L CG . 50135 1 1151 . 1 . 1 223 223 LEU CD1 C 13 24.241 0.1 . . . . . . . 223 L CD1 . 50135 1 1152 . 1 . 1 223 223 LEU CD2 C 13 23.700 0.1 . . . . . . . 223 L CD2 . 50135 1 1153 . 1 . 1 223 223 LEU N N 15 121.600 0.1 . . . . . . . 223 L N . 50135 1 1154 . 1 . 1 224 224 LEU C C 13 177.501 0.1 . . . . . . . 224 L C . 50135 1 1155 . 1 . 1 224 224 LEU CA C 13 56.407 0.1 . . . . . . . 224 L CA . 50135 1 1156 . 1 . 1 224 224 LEU CB C 13 41.900 0.1 . . . . . . . 224 L CB . 50135 1 1157 . 1 . 1 224 224 LEU CG C 13 26.214 0.1 . . . . . . . 224 L CG . 50135 1 1158 . 1 . 1 224 224 LEU CD1 C 13 23.702 0.1 . . . . . . . 224 L CD1 . 50135 1 1159 . 1 . 1 224 224 LEU CD2 C 13 23.299 0.1 . . . . . . . 224 L CD2 . 50135 1 1160 . 1 . 1 224 224 LEU N N 15 118.010 0.1 . . . . . . . 224 L N . 50135 1 1161 . 1 . 1 225 225 GLY C C 13 174.018 0.1 . . . . . . . 225 G C . 50135 1 1162 . 1 . 1 225 225 GLY CA C 13 45.104 0.1 . . . . . . . 225 G CA . 50135 1 1163 . 1 . 1 225 225 GLY N N 15 105.201 0.1 . . . . . . . 225 G N . 50135 1 1164 . 1 . 1 226 226 TRP C C 13 176.606 0.1 . . . . . . . 226 W C . 50135 1 1165 . 1 . 1 226 226 TRP CA C 13 55.408 0.1 . . . . . . . 226 W CA . 50135 1 1166 . 1 . 1 226 226 TRP CB C 13 29.401 0.1 . . . . . . . 226 W CB . 50135 1 1167 . 1 . 1 226 226 TRP N N 15 118.303 0.1 . . . . . . . 226 W N . 50135 1 1168 . 1 . 1 227 227 ASN C C 13 176.215 0.1 . . . . . . . 227 N C . 50135 1 1169 . 1 . 1 227 227 ASN CA C 13 52.801 0.1 . . . . . . . 227 N CA . 50135 1 1170 . 1 . 1 227 227 ASN CB C 13 40.305 0.1 . . . . . . . 227 N CB . 50135 1 1171 . 1 . 1 227 227 ASN CG C 13 174.681 0.1 . . . . . . . 227 N CG . 50135 1 1172 . 1 . 1 227 227 ASN N N 15 125.904 0.1 . . . . . . . 227 N N . 50135 1 1173 . 1 . 1 228 228 MET C C 13 176.206 0.1 . . . . . . . 228 M C . 50135 1 1174 . 1 . 1 228 228 MET CA C 13 55.599 0.1 . . . . . . . 228 M CA . 50135 1 1175 . 1 . 1 228 228 MET CB C 13 32.343 0.1 . . . . . . . 228 M CB . 50135 1 1176 . 1 . 1 228 228 MET CG C 13 31.316 0.1 . . . . . . . 228 M CG . 50135 1 1177 . 1 . 1 228 228 MET CE C 13 17.800 0.1 . . . . . . . 228 M CE . 50135 1 1178 . 1 . 1 228 228 MET N N 15 116.192 0.1 . . . . . . . 228 M N . 50135 1 1179 . 1 . 1 229 229 MET C C 13 176.407 0.1 . . . . . . . 229 M C . 50135 1 1180 . 1 . 1 229 229 MET CA C 13 55.799 0.1 . . . . . . . 229 M CA . 50135 1 1181 . 1 . 1 229 229 MET CB C 13 34.019 0.1 . . . . . . . 229 M CB . 50135 1 1182 . 1 . 1 229 229 MET CG C 13 31.644 0.1 . . . . . . . 229 M CG . 50135 1 1183 . 1 . 1 229 229 MET CE C 13 18.328 0.1 . . . . . . . 229 M CE . 50135 1 1184 . 1 . 1 229 229 MET N N 15 119.319 0.1 . . . . . . . 229 M N . 50135 1 1185 . 1 . 1 230 230 HIS C C 13 177.105 0.1 . . . . . . . 230 H C . 50135 1 1186 . 1 . 1 230 230 HIS CA C 13 55.606 0.1 . . . . . . . 230 H CA . 50135 1 1187 . 1 . 1 230 230 HIS CB C 13 30.407 0.1 . . . . . . . 230 H CB . 50135 1 1188 . 1 . 1 230 230 HIS CG C 13 133.915 0.1 . . . . . . . 230 H CG . 50135 1 1189 . 1 . 1 230 230 HIS N N 15 118.305 0.1 . . . . . . . 230 H N . 50135 1 1190 . 1 . 1 231 231 VAL C C 13 178.502 0.1 . . . . . . . 231 V C . 50135 1 1191 . 1 . 1 231 231 VAL CA C 13 59.908 0.1 . . . . . . . 231 V CA . 50135 1 1192 . 1 . 1 231 231 VAL CB C 13 33.907 0.1 . . . . . . . 231 V CB . 50135 1 1193 . 1 . 1 231 231 VAL CG1 C 13 22.109 0.1 . . . . . . . 231 V CG1 . 50135 1 1194 . 1 . 1 231 231 VAL CG2 C 13 21.202 0.1 . . . . . . . 231 V CG2 . 50135 1 1195 . 1 . 1 231 231 VAL N N 15 119.501 0.1 . . . . . . . 231 V N . 50135 1 1196 . 1 . 1 232 232 ILE C C 13 177.416 0.1 . . . . . . . 232 I C . 50135 1 1197 . 1 . 1 232 232 ILE CA C 13 65.228 0.1 . . . . . . . 232 I CA . 50135 1 1198 . 1 . 1 232 232 ILE CB C 13 37.813 0.1 . . . . . . . 232 I CB . 50135 1 1199 . 1 . 1 232 232 ILE CG1 C 13 26.904 0.1 . . . . . . . 232 I CG1 . 50135 1 1200 . 1 . 1 232 232 ILE CG2 C 13 16.924 0.1 . . . . . . . 232 I CG2 . 50135 1 1201 . 1 . 1 232 232 ILE CD1 C 13 14.232 0.1 . . . . . . . 232 I CD . 50135 1 1202 . 1 . 1 232 232 ILE N N 15 119.408 0.1 . . . . . . . 232 I N . 50135 1 1203 . 1 . 1 233 233 ASP C C 13 177.804 0.1 . . . . . . . 233 D C . 50135 1 1204 . 1 . 1 233 233 ASP CA C 13 54.404 0.1 . . . . . . . 233 D CA . 50135 1 1205 . 1 . 1 233 233 ASP CB C 13 40.910 0.1 . . . . . . . 233 D CB . 50135 1 1206 . 1 . 1 233 233 ASP CG C 13 178.916 0.1 . . . . . . . 233 D CG . 50135 1 1207 . 1 . 1 233 233 ASP N N 15 121.444 0.1 . . . . . . . 233 D N . 50135 1 1208 . 1 . 1 234 234 GLU C C 13 176.718 0.1 . . . . . . . 234 E C . 50135 1 1209 . 1 . 1 234 234 GLU CA C 13 57.619 0.1 . . . . . . . 234 E CA . 50135 1 1210 . 1 . 1 234 234 GLU CB C 13 30.204 0.1 . . . . . . . 234 E CB . 50135 1 1211 . 1 . 1 234 234 GLU CG C 13 34.410 0.1 . . . . . . . 234 E CG . 50135 1 1212 . 1 . 1 234 234 GLU CD C 13 182.814 0.1 . . . . . . . 234 E CD . 50135 1 1213 . 1 . 1 234 234 GLU N N 15 115.719 0.1 . . . . . . . 234 E N . 50135 1 1214 . 1 . 1 235 235 SER C C 13 177.215 0.1 . . . . . . . 235 S C . 50135 1 1215 . 1 . 1 235 235 SER CA C 13 55.704 0.1 . . . . . . . 235 S CA . 50135 1 1216 . 1 . 1 235 235 SER CB C 13 68.315 0.1 . . . . . . . 235 S CB . 50135 1 1217 . 1 . 1 235 235 SER N N 15 121.615 0.1 . . . . . . . 235 S N . 50135 1 1218 . 1 . 1 236 236 SER CA C 13 58.404 0.1 . . . . . . . 236 S CA . 50135 1 1219 . 1 . 1 236 236 SER CB C 13 64.015 0.1 . . . . . . . 236 S CB . 50135 1 1220 . 1 . 1 236 236 SER N N 15 123.817 0.1 . . . . . . . 236 S N . 50135 1 1221 . 1 . 1 237 237 PRO C C 13 176.816 0.1 . . . . . . . 237 P C . 50135 1 1222 . 1 . 1 237 237 PRO CA C 13 65.438 0.1 . . . . . . . 237 P CA . 50135 1 1223 . 1 . 1 237 237 PRO CB C 13 29.611 0.1 . . . . . . . 237 P CB . 50135 1 1224 . 1 . 1 237 237 PRO CG C 13 26.618 0.1 . . . . . . . 237 P CG . 50135 1 1225 . 1 . 1 237 237 PRO CD C 13 50.403 0.1 . . . . . . . 237 P CD . 50135 1 1226 . 1 . 1 237 237 PRO N N 15 134.601 0.1 . . . . . . . 237 P N . 50135 1 1227 . 1 . 1 238 238 LEU C C 13 178.007 0.1 . . . . . . . 238 L C . 50135 1 1228 . 1 . 1 238 238 LEU CA C 13 56.005 0.1 . . . . . . . 238 L CA . 50135 1 1229 . 1 . 1 238 238 LEU CB C 13 42.101 0.1 . . . . . . . 238 L CB . 50135 1 1230 . 1 . 1 238 238 LEU CG C 13 26.207 0.1 . . . . . . . 238 L CG . 50135 1 1231 . 1 . 1 238 238 LEU CD1 C 13 22.515 0.1 . . . . . . . 238 L CD1 . 50135 1 1232 . 1 . 1 238 238 LEU CD2 C 13 21.905 0.1 . . . . . . . 238 L CD2 . 50135 1 1233 . 1 . 1 238 238 LEU N N 15 115.701 0.1 . . . . . . . 238 L N . 50135 1 1234 . 1 . 1 239 239 PHE C C 13 177.400 0.1 . . . . . . . 239 F C . 50135 1 1235 . 1 . 1 239 239 PHE CA C 13 63.111 0.1 . . . . . . . 239 F CA . 50135 1 1236 . 1 . 1 239 239 PHE CB C 13 37.807 0.1 . . . . . . . 239 F CB . 50135 1 1237 . 1 . 1 239 239 PHE CG C 13 132.307 0.1 . . . . . . . 239 F CG . 50135 1 1238 . 1 . 1 239 239 PHE N N 15 114.801 0.1 . . . . . . . 239 F N . 50135 1 1239 . 1 . 1 240 240 GLY C C 13 175.701 0.1 . . . . . . . 240 G C . 50135 1 1240 . 1 . 1 240 240 GLY CA C 13 47.901 0.1 . . . . . . . 240 G CA . 50135 1 1241 . 1 . 1 240 240 GLY N N 15 110.014 0.1 . . . . . . . 240 G N . 50135 1 1242 . 1 . 1 241 241 GLU C C 13 176.849 0.1 . . . . . . . 241 E C . 50135 1 1243 . 1 . 1 241 241 GLU CA C 13 58.207 0.1 . . . . . . . 241 E CA . 50135 1 1244 . 1 . 1 241 241 GLU CB C 13 32.414 0.1 . . . . . . . 241 E CB . 50135 1 1245 . 1 . 1 241 241 GLU CG C 13 36.110 0.1 . . . . . . . 241 E CG . 50135 1 1246 . 1 . 1 241 241 GLU CD C 13 180.100 0.1 . . . . . . . 241 E CD . 50135 1 1247 . 1 . 1 241 241 GLU N N 15 121.200 0.1 . . . . . . . 241 E N . 50135 1 1248 . 1 . 1 242 242 THR C C 13 173.716 0.1 . . . . . . . 242 T C . 50135 1 1249 . 1 . 1 242 242 THR CA C 13 59.738 0.1 . . . . . . . 242 T CA . 50135 1 1250 . 1 . 1 242 242 THR CB C 13 72.908 0.1 . . . . . . . 242 T CB . 50135 1 1251 . 1 . 1 242 242 THR CG2 C 13 21.708 0.1 . . . . . . . 242 T CG . 50135 1 1252 . 1 . 1 242 242 THR N N 15 112.010 0.1 . . . . . . . 242 T N . 50135 1 1253 . 1 . 1 243 243 PRO C C 13 176.105 0.1 . . . . . . . 243 P C . 50135 1 1254 . 1 . 1 243 243 PRO CA C 13 63.112 0.1 . . . . . . . 243 P CA . 50135 1 1255 . 1 . 1 243 243 PRO CB C 13 31.216 0.1 . . . . . . . 243 P CB . 50135 1 1256 . 1 . 1 243 243 PRO CG C 13 29.204 0.1 . . . . . . . 243 P CG . 50135 1 1257 . 1 . 1 243 243 PRO CD C 13 50.771 0.1 . . . . . . . 243 P CD . 50135 1 1258 . 1 . 1 243 243 PRO N N 15 139.537 0.1 . . . . . . . 243 P N . 50135 1 1259 . 1 . 1 244 244 GLU C C 13 176.503 0.1 . . . . . . . 244 E C . 50135 1 1260 . 1 . 1 244 244 GLU CA C 13 59.112 0.1 . . . . . . . 244 E CA . 50135 1 1261 . 1 . 1 244 244 GLU CB C 13 28.807 0.1 . . . . . . . 244 E CB . 50135 1 1262 . 1 . 1 244 244 GLU CG C 13 36.002 0.1 . . . . . . . 244 E CG . 50135 1 1263 . 1 . 1 244 244 GLU CD C 13 180.710 0.1 . . . . . . . 244 E CD . 50135 1 1264 . 1 . 1 244 244 GLU N N 15 122.712 0.1 . . . . . . . 244 E N . 50135 1 1265 . 1 . 1 245 245 SER C C 13 176.109 0.1 . . . . . . . 245 S C . 50135 1 1266 . 1 . 1 245 245 SER CA C 13 62.715 0.1 . . . . . . . 245 S CA . 50135 1 1267 . 1 . 1 245 245 SER CB C 13 63.023 0.1 . . . . . . . 245 S CB . 50135 1 1268 . 1 . 1 245 245 SER N N 15 118.105 0.1 . . . . . . . 245 S N . 50135 1 1269 . 1 . 1 246 246 LEU C C 13 179.302 0.1 . . . . . . . 246 L C . 50135 1 1270 . 1 . 1 246 246 LEU CA C 13 58.215 0.1 . . . . . . . 246 L CA . 50135 1 1271 . 1 . 1 246 246 LEU CB C 13 41.911 0.1 . . . . . . . 246 L CB . 50135 1 1272 . 1 . 1 246 246 LEU CG C 13 26.713 0.1 . . . . . . . 246 L CG . 50135 1 1273 . 1 . 1 246 246 LEU CD1 C 13 23.516 0.1 . . . . . . . 246 L CD1 . 50135 1 1274 . 1 . 1 246 246 LEU CD2 C 13 23.111 0.1 . . . . . . . 246 L CD2 . 50135 1 1275 . 1 . 1 246 246 LEU N N 15 121.603 0.1 . . . . . . . 246 L N . 50135 1 1276 . 1 . 1 247 247 ALA C C 13 179.500 0.1 . . . . . . . 247 A C . 50135 1 1277 . 1 . 1 247 247 ALA CA C 13 55.416 0.1 . . . . . . . 247 A CA . 50135 1 1278 . 1 . 1 247 247 ALA CB C 13 18.116 0.1 . . . . . . . 247 A CB . 50135 1 1279 . 1 . 1 247 247 ALA N N 15 122.108 0.1 . . . . . . . 247 A N . 50135 1 1280 . 1 . 1 248 248 GLU C C 13 176.715 0.1 . . . . . . . 248 E C . 50135 1 1281 . 1 . 1 248 248 GLU CA C 13 58.413 0.1 . . . . . . . 248 E CA . 50135 1 1282 . 1 . 1 248 248 GLU CB C 13 27.616 0.1 . . . . . . . 248 E CB . 50135 1 1283 . 1 . 1 248 248 GLU CG C 13 38.401 0.1 . . . . . . . 248 E CG . 50135 1 1284 . 1 . 1 248 248 GLU CD C 13 181.916 0.1 . . . . . . . 248 E CD . 50135 1 1285 . 1 . 1 248 248 GLU N N 15 120.005 0.1 . . . . . . . 248 E N . 50135 1 1286 . 1 . 1 249 249 GLY C C 13 174.800 0.1 . . . . . . . 249 G C . 50135 1 1287 . 1 . 1 249 249 GLY CA C 13 45.500 0.1 . . . . . . . 249 G CA . 50135 1 1288 . 1 . 1 249 249 GLY N N 15 107.405 0.1 . . . . . . . 249 G N . 50135 1 1289 . 1 . 1 250 250 ARG C C 13 176.704 0.1 . . . . . . . 250 R C . 50135 1 1290 . 1 . 1 250 250 ARG CA C 13 54.407 0.1 . . . . . . . 250 R CA . 50135 1 1291 . 1 . 1 250 250 ARG CB C 13 27.611 0.1 . . . . . . . 250 R CB . 50135 1 1292 . 1 . 1 250 250 ARG CG C 13 25.616 0.1 . . . . . . . 250 R CG . 50135 1 1293 . 1 . 1 250 250 ARG CD C 13 41.900 0.1 . . . . . . . 250 R CD . 50135 1 1294 . 1 . 1 250 250 ARG N N 15 123.504 0.1 . . . . . . . 250 R N . 50135 1 1295 . 1 . 1 251 251 ALA C C 13 175.001 0.1 . . . . . . . 251 A C . 50135 1 1296 . 1 . 1 251 251 ALA CA C 13 54.609 0.1 . . . . . . . 251 A CA . 50135 1 1297 . 1 . 1 251 251 ALA CB C 13 18.205 0.1 . . . . . . . 251 A CB . 50135 1 1298 . 1 . 1 251 251 ALA N N 15 121.310 0.1 . . . . . . . 251 A N . 50135 1 1299 . 1 . 1 252 252 MET C C 13 175.600 0.1 . . . . . . . 252 M C . 50135 1 1300 . 1 . 1 252 252 MET CA C 13 54.004 0.1 . . . . . . . 252 M CA . 50135 1 1301 . 1 . 1 252 252 MET CB C 13 34.411 0.1 . . . . . . . 252 M CB . 50135 1 1302 . 1 . 1 252 252 MET CG C 13 32.609 0.1 . . . . . . . 252 M CG . 50135 1 1303 . 1 . 1 252 252 MET CE C 13 17.508 0.1 . . . . . . . 252 M CE . 50135 1 1304 . 1 . 1 252 252 MET N N 15 120.404 0.1 . . . . . . . 252 M N . 50135 1 1305 . 1 . 1 253 253 LEU C C 13 178.510 0.1 . . . . . . . 253 L C . 50135 1 1306 . 1 . 1 253 253 LEU CA C 13 54.518 0.1 . . . . . . . 253 L CA . 50135 1 1307 . 1 . 1 253 253 LEU CB C 13 43.309 0.1 . . . . . . . 253 L CB . 50135 1 1308 . 1 . 1 253 253 LEU CG C 13 27.300 0.1 . . . . . . . 253 L CG . 50135 1 1309 . 1 . 1 253 253 LEU CD1 C 13 22.800 0.1 . . . . . . . 253 L CD1 . 50135 1 1310 . 1 . 1 253 253 LEU CD2 C 13 21.619 0.1 . . . . . . . 253 L CD2 . 50135 1 1311 . 1 . 1 253 253 LEU N N 15 120.500 0.1 . . . . . . . 253 L N . 50135 1 1312 . 1 . 1 254 254 LEU C C 13 174.911 0.1 . . . . . . . 254 L C . 50135 1 1313 . 1 . 1 254 254 LEU CA C 13 54.510 0.1 . . . . . . . 254 L CA . 50135 1 1314 . 1 . 1 254 254 LEU CB C 13 45.501 0.1 . . . . . . . 254 L CB . 50135 1 1315 . 1 . 1 254 254 LEU CG C 13 27.201 0.1 . . . . . . . 254 L CG . 50135 1 1316 . 1 . 1 254 254 LEU CD1 C 13 22.619 0.1 . . . . . . . 254 L CD1 . 50135 1 1317 . 1 . 1 254 254 LEU CD2 C 13 21.801 0.1 . . . . . . . 254 L CD2 . 50135 1 1318 . 1 . 1 254 254 LEU N N 15 120.300 0.1 . . . . . . . 254 L N . 50135 1 1319 . 1 . 1 255 255 VAL C C 13 178.208 0.1 . . . . . . . 255 V C . 50135 1 1320 . 1 . 1 255 255 VAL CA C 13 60.300 0.1 . . . . . . . 255 V CA . 50135 1 1321 . 1 . 1 255 255 VAL CB C 13 34.001 0.1 . . . . . . . 255 V CB . 50135 1 1322 . 1 . 1 255 255 VAL CG1 C 13 22.200 0.1 . . . . . . . 255 V CG1 . 50135 1 1323 . 1 . 1 255 255 VAL CG2 C 13 21.300 0.1 . . . . . . . 255 V CG2 . 50135 1 1324 . 1 . 1 255 255 VAL N N 15 119.100 0.1 . . . . . . . 255 V N . 50135 1 1325 . 1 . 1 256 256 MET C C 13 174.601 0.1 . . . . . . . 256 M C . 50135 1 1326 . 1 . 1 256 256 MET CA C 13 55.009 0.1 . . . . . . . 256 M CA . 50135 1 1327 . 1 . 1 256 256 MET CB C 13 36.105 0.1 . . . . . . . 256 M CB . 50135 1 1328 . 1 . 1 256 256 MET CG C 13 34.543 0.1 . . . . . . . 256 M CG . 50135 1 1329 . 1 . 1 256 256 MET CE C 13 18.003 0.1 . . . . . . . 256 M CE . 50135 1 1330 . 1 . 1 256 256 MET N N 15 117.600 0.1 . . . . . . . 256 M N . 50135 1 1331 . 1 . 1 257 257 ILE C C 13 176.001 0.1 . . . . . . . 257 I C . 50135 1 1332 . 1 . 1 257 257 ILE CA C 13 59.001 0.1 . . . . . . . 257 I CA . 50135 1 1333 . 1 . 1 257 257 ILE CB C 13 41.309 0.1 . . . . . . . 257 I CB . 50135 1 1334 . 1 . 1 257 257 ILE CG1 C 13 27.647 0.1 . . . . . . . 257 I CG1 . 50135 1 1335 . 1 . 1 257 257 ILE CG2 C 13 17.199 0.1 . . . . . . . 257 I CG2 . 50135 1 1336 . 1 . 1 257 257 ILE CD1 C 13 13.009 0.1 . . . . . . . 257 I CD1 . 50135 1 1337 . 1 . 1 257 257 ILE N N 15 117.600 0.1 . . . . . . . 257 I N . 50135 1 1338 . 1 . 1 258 258 GLU C C 13 175.501 0.1 . . . . . . . 258 E C . 50135 1 1339 . 1 . 1 258 258 GLU CA C 13 56.322 0.1 . . . . . . . 258 E CA . 50135 1 1340 . 1 . 1 258 258 GLU CB C 13 30.531 0.1 . . . . . . . 258 E CB . 50135 1 1341 . 1 . 1 258 258 GLU CG C 13 37.609 0.1 . . . . . . . 258 E CG . 50135 1 1342 . 1 . 1 258 258 GLU CD C 13 182.631 0.1 . . . . . . . 258 E CD . 50135 1 1343 . 1 . 1 258 258 GLU N N 15 118.000 0.1 . . . . . . . 258 E N . 50135 1 1344 . 1 . 1 259 259 GLY C C 13 172.710 0.1 . . . . . . . 259 G C . 50135 1 1345 . 1 . 1 259 259 GLY CA C 13 44.102 0.1 . . . . . . . 259 G CA . 50135 1 1346 . 1 . 1 259 259 GLY N N 15 104.805 0.1 . . . . . . . 259 G N . 50135 1 1347 . 1 . 1 260 260 SER C C 13 176.003 0.1 . . . . . . . 260 S C . 50135 1 1348 . 1 . 1 260 260 SER CA C 13 55.103 0.1 . . . . . . . 260 S CA . 50135 1 1349 . 1 . 1 260 260 SER CB C 13 63.109 0.1 . . . . . . . 260 S CB . 50135 1 1350 . 1 . 1 260 260 SER N N 15 122.000 0.1 . . . . . . . 260 S N . 50135 1 1351 . 1 . 1 261 261 ASP C C 13 177.743 0.1 . . . . . . . 261 D C . 50135 1 1352 . 1 . 1 261 261 ASP CA C 13 55.702 0.1 . . . . . . . 261 D CA . 50135 1 1353 . 1 . 1 261 261 ASP CB C 13 42.701 0.1 . . . . . . . 261 D CB . 50135 1 1354 . 1 . 1 261 261 ASP CG C 13 179.304 0.1 . . . . . . . 261 D CG . 50135 1 1355 . 1 . 1 261 261 ASP N N 15 120.100 0.1 . . . . . . . 261 D N . 50135 1 1356 . 1 . 1 262 262 GLU C C 13 175.519 0.1 . . . . . . . 262 E C . 50135 1 1357 . 1 . 1 262 262 GLU CA C 13 58.100 0.1 . . . . . . . 262 E CA . 50135 1 1358 . 1 . 1 262 262 GLU CB C 13 31.705 0.1 . . . . . . . 262 E CB . 50135 1 1359 . 1 . 1 262 262 GLU CG C 13 35.400 0.1 . . . . . . . 262 E CG . 50135 1 1360 . 1 . 1 262 262 GLU CD C 13 183.004 0.1 . . . . . . . 262 E CD . 50135 1 1361 . 1 . 1 262 262 GLU N N 15 117.900 0.1 . . . . . . . 262 E N . 50135 1 1362 . 1 . 1 263 263 THR C C 13 177.228 0.1 . . . . . . . 263 T C . 50135 1 1363 . 1 . 1 263 263 THR CA C 13 60.100 0.1 . . . . . . . 263 T CA . 50135 1 1364 . 1 . 1 263 263 THR CB C 13 67.000 0.1 . . . . . . . 263 T CB . 50135 1 1365 . 1 . 1 263 263 THR CG2 C 13 21.500 0.1 . . . . . . . 263 T CG . 50135 1 1366 . 1 . 1 263 263 THR N N 15 117.200 0.1 . . . . . . . 263 T N . 50135 1 1367 . 1 . 1 264 264 THR C C 13 174.917 0.1 . . . . . . . 264 T C . 50135 1 1368 . 1 . 1 264 264 THR CA C 13 60.400 0.1 . . . . . . . 264 T CA . 50135 1 1369 . 1 . 1 264 264 THR CB C 13 70.101 0.1 . . . . . . . 264 T CB . 50135 1 1370 . 1 . 1 264 264 THR CG2 C 13 21.220 0.1 . . . . . . . 264 T CG . 50135 1 1371 . 1 . 1 264 264 THR N N 15 121.000 0.1 . . . . . . . 264 T N . 50135 1 1372 . 1 . 1 265 265 ALA C C 13 175.400 0.1 . . . . . . . 265 A C . 50135 1 1373 . 1 . 1 265 265 ALA CA C 13 50.401 0.1 . . . . . . . 265 A CA . 50135 1 1374 . 1 . 1 265 265 ALA CB C 13 20.299 0.1 . . . . . . . 265 A CB . 50135 1 1375 . 1 . 1 265 265 ALA N N 15 129.400 0.1 . . . . . . . 265 A N . 50135 1 1376 . 1 . 1 266 266 GLN C C 13 174.528 0.1 . . . . . . . 266 Q C . 50135 1 1377 . 1 . 1 266 266 GLN CA C 13 54.921 0.1 . . . . . . . 266 Q CA . 50135 1 1378 . 1 . 1 266 266 GLN CB C 13 31.300 0.1 . . . . . . . 266 Q CB . 50135 1 1379 . 1 . 1 266 266 GLN CG C 13 32.902 0.1 . . . . . . . 266 Q CG . 50135 1 1380 . 1 . 1 266 266 GLN CD C 13 180.402 0.1 . . . . . . . 266 Q CD . 50135 1 1381 . 1 . 1 266 266 GLN N N 15 122.140 0.1 . . . . . . . 266 Q N . 50135 1 1382 . 1 . 1 267 267 VAL C C 13 175.203 0.1 . . . . . . . 267 V C . 50135 1 1383 . 1 . 1 267 267 VAL CA C 13 61.119 0.1 . . . . . . . 267 V CA . 50135 1 1384 . 1 . 1 267 267 VAL CB C 13 34.400 0.1 . . . . . . . 267 V CB . 50135 1 1385 . 1 . 1 267 267 VAL CG1 C 13 21.105 0.1 . . . . . . . 267 V CG1 . 50135 1 1386 . 1 . 1 267 267 VAL CG2 C 13 20.444 0.1 . . . . . . . 267 V CG2 . 50135 1 1387 . 1 . 1 267 267 VAL N N 15 123.400 0.1 . . . . . . . 267 V N . 50135 1 1388 . 1 . 1 268 268 MET C C 13 176.201 0.1 . . . . . . . 268 M C . 50135 1 1389 . 1 . 1 268 268 MET CA C 13 54.200 0.1 . . . . . . . 268 M CA . 50135 1 1390 . 1 . 1 268 268 MET CB C 13 35.400 0.1 . . . . . . . 268 M CB . 50135 1 1391 . 1 . 1 268 268 MET CG C 13 33.400 0.1 . . . . . . . 268 M CG . 50135 1 1392 . 1 . 1 268 268 MET CE C 13 17.600 0.1 . . . . . . . 268 M CE . 50135 1 1393 . 1 . 1 268 268 MET N N 15 126.000 0.1 . . . . . . . 268 M N . 50135 1 1394 . 1 . 1 269 269 GLN C C 13 175.300 0.1 . . . . . . . 269 Q C . 50135 1 1395 . 1 . 1 269 269 GLN CA C 13 55.300 0.1 . . . . . . . 269 Q CA . 50135 1 1396 . 1 . 1 269 269 GLN CB C 13 33.427 0.1 . . . . . . . 269 Q CB . 50135 1 1397 . 1 . 1 269 269 GLN CG C 13 34.600 0.1 . . . . . . . 269 Q CG . 50135 1 1398 . 1 . 1 269 269 GLN CD C 13 179.400 0.1 . . . . . . . 269 Q CD . 50135 1 1399 . 1 . 1 269 269 GLN N N 15 118.300 0.1 . . . . . . . 269 Q N . 50135 1 1400 . 1 . 1 270 270 ALA C C 13 175.901 0.1 . . . . . . . 270 A C . 50135 1 1401 . 1 . 1 270 270 ALA CA C 13 52.413 0.1 . . . . . . . 270 A CA . 50135 1 1402 . 1 . 1 270 270 ALA CB C 13 21.900 0.1 . . . . . . . 270 A CB . 50135 1 1403 . 1 . 1 270 270 ALA N N 15 126.000 0.1 . . . . . . . 270 A N . 50135 1 1404 . 1 . 1 271 271 ARG C C 13 175.000 0.1 . . . . . . . 271 R C . 50135 1 1405 . 1 . 1 271 271 ARG CA C 13 54.375 0.1 . . . . . . . 271 R CA . 50135 1 1406 . 1 . 1 271 271 ARG CB C 13 31.596 0.1 . . . . . . . 271 R CB . 50135 1 1407 . 1 . 1 271 271 ARG CG C 13 26.836 0.1 . . . . . . . 271 R CG . 50135 1 1408 . 1 . 1 271 271 ARG CD C 13 44.506 0.1 . . . . . . . 271 R CD . 50135 1 1409 . 1 . 1 271 271 ARG N N 15 125.900 0.1 . . . . . . . 271 R N . 50135 1 1410 . 1 . 1 272 272 HIS C C 13 174.500 0.1 . . . . . . . 272 H C . 50135 1 1411 . 1 . 1 272 272 HIS CA C 13 55.700 0.1 . . . . . . . 272 H CA . 50135 1 1412 . 1 . 1 272 272 HIS CB C 13 32.500 0.1 . . . . . . . 272 H CB . 50135 1 1413 . 1 . 1 272 272 HIS CG C 13 130.100 0.1 . . . . . . . 272 H CG . 50135 1 1414 . 1 . 1 272 272 HIS N N 15 124.000 0.1 . . . . . . . 272 H N . 50135 1 1415 . 1 . 1 273 273 ALA C C 13 176.903 0.1 . . . . . . . 273 A C . 50135 1 1416 . 1 . 1 273 273 ALA CA C 13 52.812 0.1 . . . . . . . 273 A CA . 50135 1 1417 . 1 . 1 273 273 ALA CB C 13 20.400 0.1 . . . . . . . 273 A CB . 50135 1 1418 . 1 . 1 273 273 ALA N N 15 127.400 0.1 . . . . . . . 273 A N . 50135 1 1419 . 1 . 1 274 274 TRP C C 13 178.800 0.1 . . . . . . . 274 W C . 50135 1 1420 . 1 . 1 274 274 TRP CA C 13 58.721 0.1 . . . . . . . 274 W CA . 50135 1 1421 . 1 . 1 274 274 TRP CB C 13 34.511 0.1 . . . . . . . 274 W CB . 50135 1 1422 . 1 . 1 274 274 TRP CG C 13 111.100 0.1 . . . . . . . 274 W CG . 50135 1 1423 . 1 . 1 274 274 TRP N N 15 122.708 0.1 . . . . . . . 274 W N . 50135 1 1424 . 1 . 1 275 275 GLU C C 13 174.500 0.1 . . . . . . . 275 E C . 50135 1 1425 . 1 . 1 275 275 GLU CA C 13 55.401 0.1 . . . . . . . 275 E CA . 50135 1 1426 . 1 . 1 275 275 GLU CB C 13 31.316 0.1 . . . . . . . 275 E CB . 50135 1 1427 . 1 . 1 275 275 GLU CG C 13 34.102 0.1 . . . . . . . 275 E CG . 50135 1 1428 . 1 . 1 275 275 GLU CD C 13 182.209 0.1 . . . . . . . 275 E CD . 50135 1 1429 . 1 . 1 275 275 GLU N N 15 115.800 0.1 . . . . . . . 275 E N . 50135 1 1430 . 1 . 1 276 276 HIS C C 13 175.787 0.1 . . . . . . . 276 H C . 50135 1 1431 . 1 . 1 276 276 HIS CA C 13 59.903 0.1 . . . . . . . 276 H CA . 50135 1 1432 . 1 . 1 276 276 HIS CB C 13 27.354 0.1 . . . . . . . 276 H CB . 50135 1 1433 . 1 . 1 276 276 HIS CG C 13 133.400 0.1 . . . . . . . 276 H CG . 50135 1 1434 . 1 . 1 276 276 HIS N N 15 123.178 0.1 . . . . . . . 276 H N . 50135 1 1435 . 1 . 1 277 277 ASP C C 13 178.601 0.1 . . . . . . . 277 D C . 50135 1 1436 . 1 . 1 277 277 ASP CA C 13 55.900 0.1 . . . . . . . 277 D CA . 50135 1 1437 . 1 . 1 277 277 ASP CB C 13 39.300 0.1 . . . . . . . 277 D CB . 50135 1 1438 . 1 . 1 277 277 ASP CG C 13 176.000 0.1 . . . . . . . 277 D CG . 50135 1 1439 . 1 . 1 277 277 ASP N N 15 122.500 0.1 . . . . . . . 277 D N . 50135 1 1440 . 1 . 1 278 278 ASP C C 13 177.000 0.1 . . . . . . . 278 D C . 50135 1 1441 . 1 . 1 278 278 ASP CA C 13 55.602 0.1 . . . . . . . 278 D CA . 50135 1 1442 . 1 . 1 278 278 ASP CB C 13 37.503 0.1 . . . . . . . 278 D CB . 50135 1 1443 . 1 . 1 278 278 ASP CG C 13 178.600 0.1 . . . . . . . 278 D CG . 50135 1 1444 . 1 . 1 278 278 ASP N N 15 117.810 0.1 . . . . . . . 278 D N . 50135 1 1445 . 1 . 1 279 279 ILE C C 13 177.517 0.1 . . . . . . . 279 I C . 50135 1 1446 . 1 . 1 279 279 ILE CA C 13 57.900 0.1 . . . . . . . 279 I CA . 50135 1 1447 . 1 . 1 279 279 ILE CB C 13 41.200 0.1 . . . . . . . 279 I CB . 50135 1 1448 . 1 . 1 279 279 ILE CG1 C 13 27.000 0.1 . . . . . . . 279 I CG1 . 50135 1 1449 . 1 . 1 279 279 ILE CG2 C 13 18.208 0.1 . . . . . . . 279 I CG2 . 50135 1 1450 . 1 . 1 279 279 ILE CD1 C 13 14.130 0.1 . . . . . . . 279 I CD1 . 50135 1 1451 . 1 . 1 279 279 ILE N N 15 120.400 0.1 . . . . . . . 279 I N . 50135 1 1452 . 1 . 1 280 280 ARG C C 13 174.604 0.1 . . . . . . . 280 R C . 50135 1 1453 . 1 . 1 280 280 ARG CA C 13 55.104 0.1 . . . . . . . 280 R CA . 50135 1 1454 . 1 . 1 280 280 ARG CB C 13 34.815 0.1 . . . . . . . 280 R CB . 50135 1 1455 . 1 . 1 280 280 ARG CG C 13 27.000 0.1 . . . . . . . 280 R CG . 50135 1 1456 . 1 . 1 280 280 ARG CD C 13 42.119 0.1 . . . . . . . 280 R CD . 50135 1 1457 . 1 . 1 280 280 ARG N N 15 124.217 0.1 . . . . . . . 280 R N . 50135 1 1458 . 1 . 1 281 281 TRP C C 13 178.218 0.1 . . . . . . . 281 W C . 50135 1 1459 . 1 . 1 281 281 TRP CA C 13 55.700 0.1 . . . . . . . 281 W CA . 50135 1 1460 . 1 . 1 281 281 TRP CB C 13 33.000 0.1 . . . . . . . 281 W CB . 50135 1 1461 . 1 . 1 281 281 TRP N N 15 124.600 0.1 . . . . . . . 281 W N . 50135 1 1462 . 1 . 1 282 282 HIS C C 13 178.914 0.1 . . . . . . . 282 H C . 50135 1 1463 . 1 . 1 282 282 HIS CA C 13 59.500 0.1 . . . . . . . 282 H CA . 50135 1 1464 . 1 . 1 282 282 HIS CB C 13 26.000 0.1 . . . . . . . 282 H CB . 50135 1 1465 . 1 . 1 282 282 HIS N N 15 115.700 0.1 . . . . . . . 282 H N . 50135 1 1466 . 1 . 1 283 283 HIS C C 13 178.716 0.1 . . . . . . . 283 H C . 50135 1 1467 . 1 . 1 283 283 HIS CA C 13 58.200 0.1 . . . . . . . 283 H CA . 50135 1 1468 . 1 . 1 283 283 HIS CB C 13 27.051 0.1 . . . . . . . 283 H CB . 50135 1 1469 . 1 . 1 283 283 HIS N N 15 119.800 0.1 . . . . . . . 283 H N . 50135 1 1470 . 1 . 1 284 284 ARG C C 13 179.106 0.1 . . . . . . . 284 R C . 50135 1 1471 . 1 . 1 284 284 ARG CA C 13 55.243 0.1 . . . . . . . 284 R CA . 50135 1 1472 . 1 . 1 284 284 ARG CB C 13 32.304 0.1 . . . . . . . 284 R CB . 50135 1 1473 . 1 . 1 284 284 ARG CG C 13 27.500 0.1 . . . . . . . 284 R CG . 50135 1 1474 . 1 . 1 284 284 ARG CD C 13 41.201 0.1 . . . . . . . 284 R CD . 50135 1 1475 . 1 . 1 284 284 ARG N N 15 123.900 0.1 . . . . . . . 284 R N . 50135 1 1476 . 1 . 1 285 285 TYR C C 13 176.000 0.1 . . . . . . . 285 Y C . 50135 1 1477 . 1 . 1 285 285 TYR CA C 13 61.700 0.1 . . . . . . . 285 Y CA . 50135 1 1478 . 1 . 1 285 285 TYR CB C 13 39.600 0.1 . . . . . . . 285 Y CB . 50135 1 1479 . 1 . 1 285 285 TYR CG C 13 132.200 0.1 . . . . . . . 285 Y CG . 50135 1 1480 . 1 . 1 285 285 TYR N N 15 121.305 0.1 . . . . . . . 285 Y N . 50135 1 1481 . 1 . 1 286 286 VAL C C 13 178.610 0.1 . . . . . . . 286 V C . 50135 1 1482 . 1 . 1 286 286 VAL CA C 13 61.611 0.1 . . . . . . . 286 V CA . 50135 1 1483 . 1 . 1 286 286 VAL CB C 13 32.948 0.1 . . . . . . . 286 V CB . 50135 1 1484 . 1 . 1 286 286 VAL CG1 C 13 22.502 0.1 . . . . . . . 286 V CG1 . 50135 1 1485 . 1 . 1 286 286 VAL CG2 C 13 21.300 0.1 . . . . . . . 286 V CG2 . 50135 1 1486 . 1 . 1 286 286 VAL N N 15 123.104 0.1 . . . . . . . 286 V N . 50135 1 1487 . 1 . 1 287 287 ASP C C 13 174.612 0.1 . . . . . . . 287 D C . 50135 1 1488 . 1 . 1 287 287 ASP CA C 13 55.601 0.1 . . . . . . . 287 D CA . 50135 1 1489 . 1 . 1 287 287 ASP CB C 13 44.644 0.1 . . . . . . . 287 D CB . 50135 1 1490 . 1 . 1 287 287 ASP CG C 13 176.719 0.1 . . . . . . . 287 D CG . 50135 1 1491 . 1 . 1 287 287 ASP N N 15 121.100 0.1 . . . . . . . 287 D N . 50135 1 1492 . 1 . 1 288 288 LEU C C 13 176.900 0.1 . . . . . . . 288 L C . 50135 1 1493 . 1 . 1 288 288 LEU CA C 13 57.800 0.1 . . . . . . . 288 L CA . 50135 1 1494 . 1 . 1 288 288 LEU CB C 13 41.017 0.1 . . . . . . . 288 L CB . 50135 1 1495 . 1 . 1 288 288 LEU CG C 13 26.552 0.1 . . . . . . . 288 L CG . 50135 1 1496 . 1 . 1 288 288 LEU CD1 C 13 23.515 0.1 . . . . . . . 288 L CD1 . 50135 1 1497 . 1 . 1 288 288 LEU CD2 C 13 22.716 0.1 . . . . . . . 288 L CD2 . 50135 1 1498 . 1 . 1 288 288 LEU N N 15 116.200 0.1 . . . . . . . 288 L N . 50135 1 1499 . 1 . 1 289 289 MET C C 13 178.600 0.1 . . . . . . . 289 M C . 50135 1 1500 . 1 . 1 289 289 MET CA C 13 55.640 0.1 . . . . . . . 289 M CA . 50135 1 1501 . 1 . 1 289 289 MET CB C 13 34.218 0.1 . . . . . . . 289 M CB . 50135 1 1502 . 1 . 1 289 289 MET CG C 13 31.607 0.1 . . . . . . . 289 M CG . 50135 1 1503 . 1 . 1 289 289 MET CE C 13 17.718 0.1 . . . . . . . 289 M CE . 50135 1 1504 . 1 . 1 289 289 MET N N 15 119.200 0.1 . . . . . . . 289 M N . 50135 1 1505 . 1 . 1 290 290 SER C C 13 176.898 0.1 . . . . . . . 290 S C . 50135 1 1506 . 1 . 1 290 290 SER CA C 13 56.821 0.1 . . . . . . . 290 S CA . 50135 1 1507 . 1 . 1 290 290 SER CB C 13 63.705 0.1 . . . . . . . 290 S CB . 50135 1 1508 . 1 . 1 290 290 SER N N 15 121.500 0.1 . . . . . . . 290 S N . 50135 1 1509 . 1 . 1 291 291 ASP C C 13 174.703 0.1 . . . . . . . 291 D C . 50135 1 1510 . 1 . 1 291 291 ASP CA C 13 54.798 0.1 . . . . . . . 291 D CA . 50135 1 1511 . 1 . 1 291 291 ASP CB C 13 41.109 0.1 . . . . . . . 291 D CB . 50135 1 1512 . 1 . 1 291 291 ASP CG C 13 176.100 0.1 . . . . . . . 291 D CG . 50135 1 1513 . 1 . 1 291 291 ASP N N 15 124.205 0.1 . . . . . . . 291 D N . 50135 1 1514 . 1 . 1 292 292 VAL C C 13 174.597 0.1 . . . . . . . 292 V C . 50135 1 1515 . 1 . 1 292 292 VAL CA C 13 60.803 0.1 . . . . . . . 292 V CA . 50135 1 1516 . 1 . 1 292 292 VAL CB C 13 33.347 0.1 . . . . . . . 292 V CB . 50135 1 1517 . 1 . 1 292 292 VAL CG1 C 13 21.297 0.1 . . . . . . . 292 V CG1 . 50135 1 1518 . 1 . 1 292 292 VAL CG2 C 13 21.604 0.1 . . . . . . . 292 V CG2 . 50135 1 1519 . 1 . 1 292 292 VAL N N 15 122.730 0.1 . . . . . . . 292 V N . 50135 1 1520 . 1 . 1 293 293 ASP C C 13 176.415 0.1 . . . . . . . 293 D C . 50135 1 1521 . 1 . 1 293 293 ASP CA C 13 54.702 0.1 . . . . . . . 293 D CA . 50135 1 1522 . 1 . 1 293 293 ASP CB C 13 42.819 0.1 . . . . . . . 293 D CB . 50135 1 1523 . 1 . 1 293 293 ASP CG C 13 174.502 0.1 . . . . . . . 293 D CG . 50135 1 1524 . 1 . 1 293 293 ASP N N 15 125.822 0.1 . . . . . . . 293 D N . 50135 1 1525 . 1 . 1 294 294 GLY C C 13 173.901 0.1 . . . . . . . 294 G C . 50135 1 1526 . 1 . 1 294 294 GLY CA C 13 45.700 0.1 . . . . . . . 294 G CA . 50135 1 1527 . 1 . 1 294 294 GLY N N 15 107.000 0.1 . . . . . . . 294 G N . 50135 1 1528 . 1 . 1 295 295 MET C C 13 177.014 0.1 . . . . . . . 295 M C . 50135 1 1529 . 1 . 1 295 295 MET CA C 13 54.500 0.1 . . . . . . . 295 M CA . 50135 1 1530 . 1 . 1 295 295 MET CB C 13 33.740 0.1 . . . . . . . 295 M CB . 50135 1 1531 . 1 . 1 295 295 MET CG C 13 31.691 0.1 . . . . . . . 295 M CG . 50135 1 1532 . 1 . 1 295 295 MET CE C 13 18.000 0.1 . . . . . . . 295 M CE . 50135 1 1533 . 1 . 1 295 295 MET N N 15 121.500 0.1 . . . . . . . 295 M N . 50135 1 1534 . 1 . 1 296 296 THR C C 13 172.603 0.1 . . . . . . . 296 T C . 50135 1 1535 . 1 . 1 296 296 THR CA C 13 61.305 0.1 . . . . . . . 296 T CA . 50135 1 1536 . 1 . 1 296 296 THR CB C 13 70.800 0.1 . . . . . . . 296 T CB . 50135 1 1537 . 1 . 1 296 296 THR CG2 C 13 21.212 0.1 . . . . . . . 296 T CG . 50135 1 1538 . 1 . 1 296 296 THR N N 15 117.916 0.1 . . . . . . . 296 T N . 50135 1 1539 . 1 . 1 297 297 HIS C C 13 174.300 0.1 . . . . . . . 297 H C . 50135 1 1540 . 1 . 1 297 297 HIS CA C 13 55.105 0.1 . . . . . . . 297 H CA . 50135 1 1541 . 1 . 1 297 297 HIS CB C 13 33.600 0.1 . . . . . . . 297 H CB . 50135 1 1542 . 1 . 1 297 297 HIS CG C 13 130.304 0.1 . . . . . . . 297 H CG . 50135 1 1543 . 1 . 1 297 297 HIS N N 15 125.813 0.1 . . . . . . . 297 H N . 50135 1 1544 . 1 . 1 298 298 ILE C C 13 174.805 0.1 . . . . . . . 298 I C . 50135 1 1545 . 1 . 1 298 298 ILE CA C 13 60.516 0.1 . . . . . . . 298 I CA . 50135 1 1546 . 1 . 1 298 298 ILE CB C 13 42.518 0.1 . . . . . . . 298 I CB . 50135 1 1547 . 1 . 1 298 298 ILE CG1 C 13 27.416 0.1 . . . . . . . 298 I CG1 . 50135 1 1548 . 1 . 1 298 298 ILE CG2 C 13 17.400 0.1 . . . . . . . 298 I CG2 . 50135 1 1549 . 1 . 1 298 298 ILE CD1 C 13 14.400 0.1 . . . . . . . 298 I CD . 50135 1 1550 . 1 . 1 298 298 ILE N N 15 126.700 0.1 . . . . . . . 298 I N . 50135 1 1551 . 1 . 1 299 299 ASP C C 13 176.315 0.1 . . . . . . . 299 D C . 50135 1 1552 . 1 . 1 299 299 ASP CA C 13 54.318 0.1 . . . . . . . 299 D CA . 50135 1 1553 . 1 . 1 299 299 ASP CB C 13 43.000 0.1 . . . . . . . 299 D CB . 50135 1 1554 . 1 . 1 299 299 ASP CG C 13 174.600 0.1 . . . . . . . 299 D CG . 50135 1 1555 . 1 . 1 299 299 ASP N N 15 127.400 0.1 . . . . . . . 299 D N . 50135 1 1556 . 1 . 1 300 300 TYR C C 13 176.035 0.1 . . . . . . . 300 Y C . 50135 1 1557 . 1 . 1 300 300 TYR CA C 13 55.008 0.1 . . . . . . . 300 Y CA . 50135 1 1558 . 1 . 1 300 300 TYR CB C 13 39.500 0.1 . . . . . . . 300 Y CB . 50135 1 1559 . 1 . 1 300 300 TYR CG C 13 131.103 0.1 . . . . . . . 300 Y CG . 50135 1 1560 . 1 . 1 300 300 TYR CD1 C 13 136.723 0.1 . . . . . . . 300 Y CD . 50135 1 1561 . 1 . 1 300 300 TYR CD2 C 13 136.723 0.1 . . . . . . . 300 Y CD . 50135 1 1562 . 1 . 1 300 300 TYR N N 15 119.600 0.1 . . . . . . . 300 Y N . 50135 1 1563 . 1 . 1 301 301 THR CA C 13 61.711 0.1 . . . . . . . 301 T CA . 50135 1 1564 . 1 . 1 301 301 THR CB C 13 70.800 0.1 . . . . . . . 301 T CB . 50135 1 1565 . 1 . 1 301 301 THR CG2 C 13 23.900 0.1 . . . . . . . 301 T CG . 50135 1 1566 . 1 . 1 301 301 THR N N 15 117.700 0.1 . . . . . . . 301 T N . 50135 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50135 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Assigned chemical shift for the second conformers.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACX' . . . 50135 2 2 '3D NCOCX' . . . 50135 2 3 '3D CANcoCA' . . . 50135 2 4 '2D C-C' . . . 50135 2 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 . 2 . 1 71 71 PHE C C 13 178.600 0.1 . . . . . . . 71 F C . 50135 2 2 . 2 . 1 71 71 PHE CA C 13 62.000 0.1 . . . . . . . 71 F CA . 50135 2 3 . 2 . 1 71 71 PHE CB C 13 37.600 0.1 . . . . . . . 71 F CB . 50135 2 4 . 2 . 1 71 71 PHE CD1 C 13 131.000 0.1 . . . . . . . 71 F CD1 . 50135 2 5 . 2 . 1 71 71 PHE N N 15 120.300 0.1 . . . . . . . 71 F N . 50135 2 6 . 2 . 1 72 72 VAL C C 13 179.300 0.1 . . . . . . . 72 V C . 50135 2 7 . 2 . 1 72 72 VAL CA C 13 68.600 0.1 . . . . . . . 72 V CA . 50135 2 8 . 2 . 1 72 72 VAL CB C 13 31.600 0.1 . . . . . . . 72 V CB . 50135 2 9 . 2 . 1 72 72 VAL CG1 C 13 24.100 0.1 . . . . . . . 72 V CG1 . 50135 2 10 . 2 . 1 72 72 VAL CG2 C 13 22.100 0.1 . . . . . . . 72 V CG2 . 50135 2 11 . 2 . 1 72 72 VAL N N 15 123.100 0.1 . . . . . . . 72 V N . 50135 2 12 . 2 . 1 73 73 VAL C C 13 176.500 0.1 . . . . . . . 73 V C . 50135 2 13 . 2 . 1 73 73 VAL CA C 13 68.200 0.1 . . . . . . . 73 V CA . 50135 2 14 . 2 . 1 73 73 VAL CB C 13 31.200 0.1 . . . . . . . 73 V CB . 50135 2 15 . 2 . 1 73 73 VAL CG1 C 13 24.100 0.1 . . . . . . . 73 V CG1 . 50135 2 16 . 2 . 1 73 73 VAL CG2 C 13 22.000 0.1 . . . . . . . 73 V CG2 . 50135 2 17 . 2 . 1 73 73 VAL N N 15 123.700 0.1 . . . . . . . 73 V N . 50135 2 stop_ save_