data_26742 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26742 _Entry.Title ; Backbone and Partial Side-Chain Chemical Shift Assignments and Dynamics Measurements for The Catalytic Domain of Human Prolyl Hydroxylase Domain 2 (PHD2) With Zn(II), 2-Oxoglutarate (2OG) and Hypoxia Inducible Factor-alpha (HIF-alpha) Peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-04 _Entry.Accession_date 2016-02-04 _Entry.Last_release_date 2016-08-26 _Entry.Original_release_date 2016-08-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ivanhoe Leung . KH . . 26742 2 Francois-Xavier Cantrelle . . . . 26742 3 Adam Hardy . P. . . 26742 4 Isabelle Landrieu . . . . 26742 5 Christopher Schofield . J. . . 26742 6 Timothy Claridge . DW . . 26742 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry, University of Oxford' . 26742 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26742 heteronucl_NOEs 1 26742 heteronucl_T1_relaxation 1 26742 heteronucl_T2_relaxation 1 26742 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 543 26742 '15N chemical shifts' 170 26742 '1H chemical shifts' 170 26742 'T1 relaxation values' 163 26742 'T2 relaxation values' 163 26742 'heteronuclear NOE values' 167 26742 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-07-11 2016-02-04 update BMRB 'update entry citation' 26742 1 . . 2016-08-26 2016-02-04 original author 'original release' 26742 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26741 'PHD2 Zn(II) 2OG' 26742 PDB 2G19 'X-Ray crystal structure' 26742 PDB 3HQR 'X-Ray crystal structure' 26742 PDB 3OUJ 'X-Ray crystal structure' 26742 stop_ save_ ############### # Citations # ############### save_Manuscript_in_Preparation _Citation.Sf_category citations _Citation.Sf_framecode Manuscript_in_Preparation _Citation.Entry_ID 26742 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1039/c8cc00387d _Citation.PubMed_ID 29522057 _Citation.Full_citation . _Citation.Title ; 2-Oxoglutarate regulates binding of hydroxylated hypoxia-inducible factor to prolyl hydroxylase domain 2. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Commun. (Camb.)' _Citation.Journal_name_full 'Chemical communications (Cambridge, England)' _Citation.Journal_volume 54 _Citation.Journal_issue 25 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1364-548X _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 3130 _Citation.Page_last 3133 _Citation.Year 2018 _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 Martine Abboud M. I. . . 26742 1 2 Tom McAllister T. E. . . 26742 1 3 Ivanhoe Leung . . . . 26742 1 4 Rasheduzzaman Chowdhury R. . . . 26742 1 5 Christian Jorgensen C. . . . 26742 1 6 Carmen Domene C. . . . 26742 1 7 Jasmin Mecinovic J. . . . 26742 1 8 Kerstin Lippl K. . . . 26742 1 9 Rebecca Hancock R. L. . . 26742 1 10 Richard Hopkinson R. J. . . 26742 1 11 Akane Kawamura A. . . . 26742 1 12 Timothy Claridge . . . . 26742 1 13 Christopher Schofield C. J. . . 26742 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26742 _Assembly.ID 1 _Assembly.Name PHD2-Zn(II)-2OG-CODD _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 . _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 PHD2 1 $PHD2 A . yes native yes no . . . 26742 1 2 'ZINC ION' 2 $entity_ZN B . no na no no . . . 26742 1 3 Co-substrate 3 $entity_AKG C . no na no no . . . 26742 1 4 Substrate 4 $CODD D . no na no no . . . 26742 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 3HQR . . 'X-ray crystallography' 2.0 'Structure of the complex' . 26742 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PHD2 _Entity.Sf_category entity _Entity.Sf_framecode PHD2 _Entity.Entry_ID 26742 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PHD2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASPNGQTKPLPALKLA LEYIVPCMNKHGICVVDDFL GKETGQQIGDEVRALHDTGK FTDGQLVSQKSDSSKDIRGD KITWIEGKEPGCETIGLLMS SMDDLIRHCNGKLGSYKING RTKAMVACYPGNGTGYVRHV DNPNGDGRCVTCIYYLNKDW DAKVSGGILRIFPEGKAQFA DIEPKFDRLLFFWSDRRNPH EVQPAYATRYAITVWYFDAD ERARAKVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first six amino acids of the sequence (GSHMAS) are non-native N-terminal residues that remained from thrombin protease cleavage of poly-histidine tag. The rest of the sequence represents the catalytic domain of PHD2 (residues 181-402). ; _Entity.Ambiguous_conformational_states yes _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 228 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -6 GLY . 26742 1 2 -5 SER . 26742 1 3 -4 HIS . 26742 1 4 -3 MET . 26742 1 5 -2 ALA . 26742 1 6 -1 SER . 26742 1 7 181 PRO . 26742 1 8 182 ASN . 26742 1 9 183 GLY . 26742 1 10 184 GLN . 26742 1 11 185 THR . 26742 1 12 186 LYS . 26742 1 13 187 PRO . 26742 1 14 188 LEU . 26742 1 15 189 PRO . 26742 1 16 190 ALA . 26742 1 17 191 LEU . 26742 1 18 192 LYS . 26742 1 19 193 LEU . 26742 1 20 194 ALA . 26742 1 21 195 LEU . 26742 1 22 196 GLU . 26742 1 23 197 TYR . 26742 1 24 198 ILE . 26742 1 25 199 VAL . 26742 1 26 200 PRO . 26742 1 27 201 CYS . 26742 1 28 202 MET . 26742 1 29 203 ASN . 26742 1 30 204 LYS . 26742 1 31 205 HIS . 26742 1 32 206 GLY . 26742 1 33 207 ILE . 26742 1 34 208 CYS . 26742 1 35 209 VAL . 26742 1 36 210 VAL . 26742 1 37 211 ASP . 26742 1 38 212 ASP . 26742 1 39 213 PHE . 26742 1 40 214 LEU . 26742 1 41 215 GLY . 26742 1 42 216 LYS . 26742 1 43 217 GLU . 26742 1 44 218 THR . 26742 1 45 219 GLY . 26742 1 46 220 GLN . 26742 1 47 221 GLN . 26742 1 48 222 ILE . 26742 1 49 223 GLY . 26742 1 50 224 ASP . 26742 1 51 225 GLU . 26742 1 52 226 VAL . 26742 1 53 227 ARG . 26742 1 54 228 ALA . 26742 1 55 229 LEU . 26742 1 56 230 HIS . 26742 1 57 231 ASP . 26742 1 58 232 THR . 26742 1 59 233 GLY . 26742 1 60 234 LYS . 26742 1 61 235 PHE . 26742 1 62 236 THR . 26742 1 63 237 ASP . 26742 1 64 238 GLY . 26742 1 65 239 GLN . 26742 1 66 240 LEU . 26742 1 67 241 VAL . 26742 1 68 242 SER . 26742 1 69 243 GLN . 26742 1 70 244 LYS . 26742 1 71 245 SER . 26742 1 72 246 ASP . 26742 1 73 247 SER . 26742 1 74 248 SER . 26742 1 75 249 LYS . 26742 1 76 250 ASP . 26742 1 77 251 ILE . 26742 1 78 252 ARG . 26742 1 79 253 GLY . 26742 1 80 254 ASP . 26742 1 81 255 LYS . 26742 1 82 256 ILE . 26742 1 83 257 THR . 26742 1 84 258 TRP . 26742 1 85 259 ILE . 26742 1 86 260 GLU . 26742 1 87 261 GLY . 26742 1 88 262 LYS . 26742 1 89 263 GLU . 26742 1 90 264 PRO . 26742 1 91 265 GLY . 26742 1 92 266 CYS . 26742 1 93 267 GLU . 26742 1 94 268 THR . 26742 1 95 269 ILE . 26742 1 96 270 GLY . 26742 1 97 271 LEU . 26742 1 98 272 LEU . 26742 1 99 273 MET . 26742 1 100 274 SER . 26742 1 101 275 SER . 26742 1 102 276 MET . 26742 1 103 277 ASP . 26742 1 104 278 ASP . 26742 1 105 279 LEU . 26742 1 106 280 ILE . 26742 1 107 281 ARG . 26742 1 108 282 HIS . 26742 1 109 283 CYS . 26742 1 110 284 ASN . 26742 1 111 285 GLY . 26742 1 112 286 LYS . 26742 1 113 287 LEU . 26742 1 114 288 GLY . 26742 1 115 289 SER . 26742 1 116 290 TYR . 26742 1 117 291 LYS . 26742 1 118 292 ILE . 26742 1 119 293 ASN . 26742 1 120 294 GLY . 26742 1 121 295 ARG . 26742 1 122 296 THR . 26742 1 123 297 LYS . 26742 1 124 298 ALA . 26742 1 125 299 MET . 26742 1 126 300 VAL . 26742 1 127 301 ALA . 26742 1 128 302 CYS . 26742 1 129 303 TYR . 26742 1 130 304 PRO . 26742 1 131 305 GLY . 26742 1 132 306 ASN . 26742 1 133 307 GLY . 26742 1 134 308 THR . 26742 1 135 309 GLY . 26742 1 136 310 TYR . 26742 1 137 311 VAL . 26742 1 138 312 ARG . 26742 1 139 313 HIS . 26742 1 140 314 VAL . 26742 1 141 315 ASP . 26742 1 142 316 ASN . 26742 1 143 317 PRO . 26742 1 144 318 ASN . 26742 1 145 319 GLY . 26742 1 146 320 ASP . 26742 1 147 321 GLY . 26742 1 148 322 ARG . 26742 1 149 323 CYS . 26742 1 150 324 VAL . 26742 1 151 325 THR . 26742 1 152 326 CYS . 26742 1 153 327 ILE . 26742 1 154 328 TYR . 26742 1 155 329 TYR . 26742 1 156 330 LEU . 26742 1 157 331 ASN . 26742 1 158 332 LYS . 26742 1 159 333 ASP . 26742 1 160 334 TRP . 26742 1 161 335 ASP . 26742 1 162 336 ALA . 26742 1 163 337 LYS . 26742 1 164 338 VAL . 26742 1 165 339 SER . 26742 1 166 340 GLY . 26742 1 167 341 GLY . 26742 1 168 342 ILE . 26742 1 169 343 LEU . 26742 1 170 344 ARG . 26742 1 171 345 ILE . 26742 1 172 346 PHE . 26742 1 173 347 PRO . 26742 1 174 348 GLU . 26742 1 175 349 GLY . 26742 1 176 350 LYS . 26742 1 177 351 ALA . 26742 1 178 352 GLN . 26742 1 179 353 PHE . 26742 1 180 354 ALA . 26742 1 181 355 ASP . 26742 1 182 356 ILE . 26742 1 183 357 GLU . 26742 1 184 358 PRO . 26742 1 185 359 LYS . 26742 1 186 360 PHE . 26742 1 187 361 ASP . 26742 1 188 362 ARG . 26742 1 189 363 LEU . 26742 1 190 364 LEU . 26742 1 191 365 PHE . 26742 1 192 366 PHE . 26742 1 193 367 TRP . 26742 1 194 368 SER . 26742 1 195 369 ASP . 26742 1 196 370 ARG . 26742 1 197 371 ARG . 26742 1 198 372 ASN . 26742 1 199 373 PRO . 26742 1 200 374 HIS . 26742 1 201 375 GLU . 26742 1 202 376 VAL . 26742 1 203 377 GLN . 26742 1 204 378 PRO . 26742 1 205 379 ALA . 26742 1 206 380 TYR . 26742 1 207 381 ALA . 26742 1 208 382 THR . 26742 1 209 383 ARG . 26742 1 210 384 TYR . 26742 1 211 385 ALA . 26742 1 212 386 ILE . 26742 1 213 387 THR . 26742 1 214 388 VAL . 26742 1 215 389 TRP . 26742 1 216 390 TYR . 26742 1 217 391 PHE . 26742 1 218 392 ASP . 26742 1 219 393 ALA . 26742 1 220 394 ASP . 26742 1 221 395 GLU . 26742 1 222 396 ARG . 26742 1 223 397 ALA . 26742 1 224 398 ARG . 26742 1 225 399 ALA . 26742 1 226 400 LYS . 26742 1 227 401 VAL . 26742 1 228 402 LYS . 26742 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26742 1 . SER 2 2 26742 1 . HIS 3 3 26742 1 . MET 4 4 26742 1 . ALA 5 5 26742 1 . SER 6 6 26742 1 . PRO 7 7 26742 1 . ASN 8 8 26742 1 . GLY 9 9 26742 1 . GLN 10 10 26742 1 . THR 11 11 26742 1 . LYS 12 12 26742 1 . PRO 13 13 26742 1 . LEU 14 14 26742 1 . PRO 15 15 26742 1 . ALA 16 16 26742 1 . LEU 17 17 26742 1 . LYS 18 18 26742 1 . LEU 19 19 26742 1 . ALA 20 20 26742 1 . LEU 21 21 26742 1 . GLU 22 22 26742 1 . TYR 23 23 26742 1 . ILE 24 24 26742 1 . VAL 25 25 26742 1 . PRO 26 26 26742 1 . CYS 27 27 26742 1 . MET 28 28 26742 1 . ASN 29 29 26742 1 . LYS 30 30 26742 1 . HIS 31 31 26742 1 . GLY 32 32 26742 1 . ILE 33 33 26742 1 . CYS 34 34 26742 1 . VAL 35 35 26742 1 . VAL 36 36 26742 1 . ASP 37 37 26742 1 . ASP 38 38 26742 1 . PHE 39 39 26742 1 . LEU 40 40 26742 1 . GLY 41 41 26742 1 . LYS 42 42 26742 1 . GLU 43 43 26742 1 . THR 44 44 26742 1 . GLY 45 45 26742 1 . GLN 46 46 26742 1 . GLN 47 47 26742 1 . ILE 48 48 26742 1 . GLY 49 49 26742 1 . ASP 50 50 26742 1 . GLU 51 51 26742 1 . VAL 52 52 26742 1 . ARG 53 53 26742 1 . ALA 54 54 26742 1 . LEU 55 55 26742 1 . HIS 56 56 26742 1 . ASP 57 57 26742 1 . THR 58 58 26742 1 . GLY 59 59 26742 1 . LYS 60 60 26742 1 . PHE 61 61 26742 1 . THR 62 62 26742 1 . ASP 63 63 26742 1 . GLY 64 64 26742 1 . GLN 65 65 26742 1 . LEU 66 66 26742 1 . VAL 67 67 26742 1 . SER 68 68 26742 1 . GLN 69 69 26742 1 . LYS 70 70 26742 1 . SER 71 71 26742 1 . ASP 72 72 26742 1 . SER 73 73 26742 1 . SER 74 74 26742 1 . LYS 75 75 26742 1 . ASP 76 76 26742 1 . ILE 77 77 26742 1 . ARG 78 78 26742 1 . GLY 79 79 26742 1 . ASP 80 80 26742 1 . LYS 81 81 26742 1 . ILE 82 82 26742 1 . THR 83 83 26742 1 . TRP 84 84 26742 1 . ILE 85 85 26742 1 . GLU 86 86 26742 1 . GLY 87 87 26742 1 . LYS 88 88 26742 1 . GLU 89 89 26742 1 . PRO 90 90 26742 1 . GLY 91 91 26742 1 . CYS 92 92 26742 1 . GLU 93 93 26742 1 . THR 94 94 26742 1 . ILE 95 95 26742 1 . GLY 96 96 26742 1 . LEU 97 97 26742 1 . LEU 98 98 26742 1 . MET 99 99 26742 1 . SER 100 100 26742 1 . SER 101 101 26742 1 . MET 102 102 26742 1 . ASP 103 103 26742 1 . ASP 104 104 26742 1 . LEU 105 105 26742 1 . ILE 106 106 26742 1 . ARG 107 107 26742 1 . HIS 108 108 26742 1 . CYS 109 109 26742 1 . ASN 110 110 26742 1 . GLY 111 111 26742 1 . LYS 112 112 26742 1 . LEU 113 113 26742 1 . GLY 114 114 26742 1 . SER 115 115 26742 1 . TYR 116 116 26742 1 . LYS 117 117 26742 1 . ILE 118 118 26742 1 . ASN 119 119 26742 1 . GLY 120 120 26742 1 . ARG 121 121 26742 1 . THR 122 122 26742 1 . LYS 123 123 26742 1 . ALA 124 124 26742 1 . MET 125 125 26742 1 . VAL 126 126 26742 1 . ALA 127 127 26742 1 . CYS 128 128 26742 1 . TYR 129 129 26742 1 . PRO 130 130 26742 1 . GLY 131 131 26742 1 . ASN 132 132 26742 1 . GLY 133 133 26742 1 . THR 134 134 26742 1 . GLY 135 135 26742 1 . TYR 136 136 26742 1 . VAL 137 137 26742 1 . ARG 138 138 26742 1 . HIS 139 139 26742 1 . VAL 140 140 26742 1 . ASP 141 141 26742 1 . ASN 142 142 26742 1 . PRO 143 143 26742 1 . ASN 144 144 26742 1 . GLY 145 145 26742 1 . ASP 146 146 26742 1 . GLY 147 147 26742 1 . ARG 148 148 26742 1 . CYS 149 149 26742 1 . VAL 150 150 26742 1 . THR 151 151 26742 1 . CYS 152 152 26742 1 . ILE 153 153 26742 1 . TYR 154 154 26742 1 . TYR 155 155 26742 1 . LEU 156 156 26742 1 . ASN 157 157 26742 1 . LYS 158 158 26742 1 . ASP 159 159 26742 1 . TRP 160 160 26742 1 . ASP 161 161 26742 1 . ALA 162 162 26742 1 . LYS 163 163 26742 1 . VAL 164 164 26742 1 . SER 165 165 26742 1 . GLY 166 166 26742 1 . GLY 167 167 26742 1 . ILE 168 168 26742 1 . LEU 169 169 26742 1 . ARG 170 170 26742 1 . ILE 171 171 26742 1 . PHE 172 172 26742 1 . PRO 173 173 26742 1 . GLU 174 174 26742 1 . GLY 175 175 26742 1 . LYS 176 176 26742 1 . ALA 177 177 26742 1 . GLN 178 178 26742 1 . PHE 179 179 26742 1 . ALA 180 180 26742 1 . ASP 181 181 26742 1 . ILE 182 182 26742 1 . GLU 183 183 26742 1 . PRO 184 184 26742 1 . LYS 185 185 26742 1 . PHE 186 186 26742 1 . ASP 187 187 26742 1 . ARG 188 188 26742 1 . LEU 189 189 26742 1 . LEU 190 190 26742 1 . PHE 191 191 26742 1 . PHE 192 192 26742 1 . TRP 193 193 26742 1 . SER 194 194 26742 1 . ASP 195 195 26742 1 . ARG 196 196 26742 1 . ARG 197 197 26742 1 . ASN 198 198 26742 1 . PRO 199 199 26742 1 . HIS 200 200 26742 1 . GLU 201 201 26742 1 . VAL 202 202 26742 1 . GLN 203 203 26742 1 . PRO 204 204 26742 1 . ALA 205 205 26742 1 . TYR 206 206 26742 1 . ALA 207 207 26742 1 . THR 208 208 26742 1 . ARG 209 209 26742 1 . TYR 210 210 26742 1 . ALA 211 211 26742 1 . ILE 212 212 26742 1 . THR 213 213 26742 1 . VAL 214 214 26742 1 . TRP 215 215 26742 1 . TYR 216 216 26742 1 . PHE 217 217 26742 1 . ASP 218 218 26742 1 . ALA 219 219 26742 1 . ASP 220 220 26742 1 . GLU 221 221 26742 1 . ARG 222 222 26742 1 . ALA 223 223 26742 1 . ARG 224 224 26742 1 . ALA 225 225 26742 1 . LYS 226 226 26742 1 . VAL 227 227 26742 1 . LYS 228 228 26742 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 26742 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 26742 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 26742 2 ZN 'Three letter code' 26742 2 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 ZN $chem_comp_ZN 26742 2 stop_ save_ save_entity_AKG _Entity.Sf_category entity _Entity.Sf_framecode entity_AKG _Entity.Entry_ID 26742 _Entity.ID 3 _Entity.BMRB_code AKG _Entity.Name entity_AKG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID AKG _Entity.Nonpolymer_comp_label $chem_comp_AKG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 146.098 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '2-OXOGLUTARIC ACID' BMRB 26742 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '2-OXOGLUTARIC ACID' BMRB 26742 3 AKG 'Three letter code' 26742 3 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 AKG $chem_comp_AKG 26742 3 stop_ save_ save_CODD _Entity.Sf_category entity _Entity.Sf_framecode CODD _Entity.Entry_ID 26742 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name CODD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DLDLEMLAPYIPMDDDFQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Hypoxia Inducible Factor-Alpha (HIF-alpha) Peptide. Substrate' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 26742 4 2 . LEU . 26742 4 3 . ASP . 26742 4 4 . LEU . 26742 4 5 . GLU . 26742 4 6 . MET . 26742 4 7 . LEU . 26742 4 8 . ALA . 26742 4 9 . PRO . 26742 4 10 . TYR . 26742 4 11 . ILE . 26742 4 12 . PRO . 26742 4 13 . MET . 26742 4 14 . ASP . 26742 4 15 . ASP . 26742 4 16 . ASP . 26742 4 17 . PHE . 26742 4 18 . GLN . 26742 4 19 . LEU . 26742 4 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 26742 4 . LEU 2 2 26742 4 . ASP 3 3 26742 4 . LEU 4 4 26742 4 . GLU 5 5 26742 4 . MET 6 6 26742 4 . LEU 7 7 26742 4 . ALA 8 8 26742 4 . PRO 9 9 26742 4 . TYR 10 10 26742 4 . ILE 11 11 26742 4 . PRO 12 12 26742 4 . MET 13 13 26742 4 . ASP 14 14 26742 4 . ASP 15 15 26742 4 . ASP 16 16 26742 4 . PHE 17 17 26742 4 . GLN 18 18 26742 4 . LEU 19 19 26742 4 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26742 _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 $PHD2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26742 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26742 _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 $PHD2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 26742 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 26742 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 26742 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 26742 ZN [Zn++] SMILES CACTVS 3.341 26742 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 26742 ZN [Zn+2] SMILES ACDLabs 10.04 26742 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 26742 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26742 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 26742 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26742 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26742 ZN stop_ save_ save_chem_comp_AKG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AKG _Chem_comp.Entry_ID 26742 _Chem_comp.ID AKG _Chem_comp.Provenance PDB _Chem_comp.Name '2-OXOGLUTARIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code AKG _Chem_comp.PDB_code AKG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces 2OG _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AKG _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H6 O5' _Chem_comp.Formula_weight 146.098 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DS1 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CC(=O)O)C(=O)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 26742 AKG C(CC(=O)O)C(=O)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 26742 AKG InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) InChI InChI 1.03 26742 AKG KPGXRSRHYNQIFN-UHFFFAOYSA-N InChIKey InChI 1.03 26742 AKG O=C(O)C(=O)CCC(=O)O SMILES ACDLabs 10.04 26742 AKG OC(=O)CCC(=O)C(O)=O SMILES CACTVS 3.352 26742 AKG OC(=O)CCC(=O)C(O)=O SMILES_CANONICAL CACTVS 3.352 26742 AKG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-oxopentanedioic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 26742 AKG '2-oxopentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 26742 AKG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -3.530 . 5.433 . 5.918 . 2.420 -0.309 0.002 1 . 26742 AKG O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -2.616 . 4.675 . 5.904 . 2.428 -1.522 0.001 2 . 26742 AKG O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -3.962 . 6.179 . 6.915 . 3.581 0.372 -0.003 3 . 26742 AKG C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -4.250 . 5.665 . 4.644 . 1.124 0.428 0.001 4 . 26742 AKG O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . -3.697 . 5.187 . 3.615 . 1.116 1.636 0.002 5 . 26742 AKG C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -5.510 . 6.463 . 4.591 . -0.176 -0.334 0.001 6 . 26742 AKG C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -6.742 . 5.561 . 4.375 . -1.346 0.652 0.000 7 . 26742 AKG C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -8.026 . 6.368 . 4.484 . -2.646 -0.109 -0.000 8 . 26742 AKG O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -8.076 . 7.569 . 4.660 . -2.638 -1.318 -0.001 9 . 26742 AKG O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . -9.109 . 5.636 . 4.358 . -3.813 0.554 -0.001 10 . 26742 AKG HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . -3.419 . 6.031 . 7.680 . 4.395 -0.150 -0.007 11 . 26742 AKG H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . -5.628 . 7.002 . 5.542 . -0.229 -0.961 -0.890 12 . 26742 AKG H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . -5.443 . 7.177 . 3.757 . -0.230 -0.961 0.890 13 . 26742 AKG H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . -6.685 . 5.110 . 3.373 . -1.292 1.279 0.891 14 . 26742 AKG H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . -6.748 . 4.772 . 5.141 . -1.292 1.280 -0.890 15 . 26742 AKG HO4 HO4 HO4 HO4 . H . . N 0 . . . 1 no no . . . . -9.877 . 6.191 . 4.427 . -4.620 0.022 -0.001 16 . 26742 AKG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 26742 AKG 2 . SING C1 O2 no N 2 . 26742 AKG 3 . SING C1 C2 no N 3 . 26742 AKG 4 . SING O2 HO2 no N 4 . 26742 AKG 5 . DOUB C2 O5 no N 5 . 26742 AKG 6 . SING C2 C3 no N 6 . 26742 AKG 7 . SING C3 C4 no N 7 . 26742 AKG 8 . SING C3 H31 no N 8 . 26742 AKG 9 . SING C3 H32 no N 9 . 26742 AKG 10 . SING C4 C5 no N 10 . 26742 AKG 11 . SING C4 H41 no N 11 . 26742 AKG 12 . SING C4 H42 no N 12 . 26742 AKG 13 . DOUB C5 O3 no N 13 . 26742 AKG 14 . SING C5 O4 no N 14 . 26742 AKG 15 . SING O4 HO4 no N 15 . 26742 AKG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_assignment _Sample.Sf_category sample _Sample.Sf_framecode sample_assignment _Sample.Entry_ID 26742 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PHD2 '[U-13C; U-15N; U-2H]' . . 1 $PHD2 . . 0.4 . . mM . . . . 26742 1 2 'Zinc ion' 'natural abundance' . . 2 $entity_ZN . . 0.6875 . . mM . . . . 26742 1 3 2-Oxoglutarate 'natural abundance' . . 3 $entity_AKG . . 0.9167 . . mM . . . . 26742 1 4 CODD 'natural abundance' . . 4 $CODD . . 0.8 . . mM . . . . 26742 1 5 TRIS [U-2H] . . . . . . 50 . . mM . . . . 26742 1 6 DSS 'natural abundance' . . . . . . 0.0667 . . mM . . . . 26742 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26742 1 stop_ save_ save_sample_t1t2noe _Sample.Sf_category sample _Sample.Sf_framecode sample_t1t2noe _Sample.Entry_ID 26742 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PHD2 [U-15N] . . 1 $PHD2 . . 0.4 . . mM . . . . 26742 2 2 'Zinc ion' 'natural abundance' . . 2 $entity_ZN . . 0.6 . . mM . . . . 26742 2 3 2-Oxoglutarate 'natural abundance' . . 3 $entity_AKG . . 0.8 . . mM . . . . 26742 2 4 CODD 'natural abundance' . . 4 $CODD . . 0.8 . . mM . . . . 26742 2 5 TRIS [U-2H] . . . . . . 50 . . mM . . . . 26742 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26742 2 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 26742 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 . pH 26742 1 temperature 310 . K 26742 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26742 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26742 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26742 1 processing 26742 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 26742 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26742 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26742 2 'data analysis' 26742 2 'peak picking' 26742 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_assignment _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_assignment _NMR_spectrometer.Entry_ID 26742 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_t1t2noe _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_t1t2noe _NMR_spectrometer.Entry_ID 26742 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26742 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_assignment Bruker Avance . 700 . . . 26742 1 2 spectrometer_t1t2noe Bruker Avance . 900 . . . 26742 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26742 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_assignment . . . . . . . . . . . . . . . . 26742 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_assignment . . . . . . . . . . . . . . . . 26742 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_assignment . . . . . . . . . . . . . . . . 26742 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_assignment . . . . . . . . . . . . . . . . 26742 1 5 '3D HNCOCACB' no . . . . . . . . . . 1 $sample_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_assignment . . . . . . . . . . . . . . . . 26742 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_assignment . . . . . . . . . . . . . . . . 26742 1 7 '3D HNCOCA' no . . . . . . . . . . 1 $sample_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_assignment . . . . . . . . . . . . . . . . 26742 1 8 '3D Heteronuclear NOE' no . . . . . . . . . . 2 $sample_t1t2noe isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_t1t2noe . . . . . . . . . . . . . . . . 26742 1 9 '3D T1' no . . . . . . . . . . 2 $sample_t1t2noe isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_t1t2noe . . . . . . . . . . . . . . . . 26742 1 10 '3D T2' no . . . . . . . . . . 2 $sample_t1t2noe isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_t1t2noe . . . . . . . . . . . . . . . . 26742 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_t1t2noe isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_t1t2noe . . . . . . . . . . . . . . . . 26742 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26742 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26742 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26742 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26742 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26742 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26742 1 2 '3D HNCO' . . . 26742 1 3 '3D HNCA' . . . 26742 1 4 '3D HNCACB' . . . 26742 1 5 '3D HNCOCACB' . . . 26742 1 6 '3D HNCACO' . . . 26742 1 7 '3D HNCOCA' . . . 26742 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 7 7 PRO C C 13 174.2 0.5 . . . . . . . 181 PRO C . 26742 1 2 . 1 1 7 7 PRO CA C 13 60.68 0.5 . . . . . . . 181 PRO CA . 26742 1 3 . 1 1 7 7 PRO CB C 13 28.37 0.5 . . . . . . . 181 PRO CB . 26742 1 4 . 1 1 8 8 ASN H H 1 8.29 0.05 . . . . . . . 182 ASN H . 26742 1 5 . 1 1 8 8 ASN C C 13 173.14 0.5 . . . . . . . 182 ASN C . 26742 1 6 . 1 1 8 8 ASN CA C 13 50.44 0.5 . . . . . . . 182 ASN CA . 26742 1 7 . 1 1 8 8 ASN CB C 13 35.82 0.5 . . . . . . . 182 ASN CB . 26742 1 8 . 1 1 8 8 ASN N N 15 117.81 0.1 . . . . . . . 182 ASN N . 26742 1 9 . 1 1 9 9 GLY H H 1 8.32 0.05 . . . . . . . 183 GLY H . 26742 1 10 . 1 1 9 9 GLY C C 13 171.48 0.5 . . . . . . . 183 GLY C . 26742 1 11 . 1 1 9 9 GLY CA C 13 42.53 0.5 . . . . . . . 183 GLY CA . 26742 1 12 . 1 1 9 9 GLY N N 15 109.08 0.1 . . . . . . . 183 GLY N . 26742 1 13 . 1 1 10 10 GLN H H 1 8.17 0.05 . . . . . . . 184 GLN H . 26742 1 14 . 1 1 10 10 GLN C C 13 173.45 0.5 . . . . . . . 184 GLN C . 26742 1 15 . 1 1 10 10 GLN CA C 13 52.69 0.5 . . . . . . . 184 GLN CA . 26742 1 16 . 1 1 10 10 GLN CB C 13 26.23 0.5 . . . . . . . 184 GLN CB . 26742 1 17 . 1 1 10 10 GLN N N 15 119.47 0.1 . . . . . . . 184 GLN N . 26742 1 18 . 1 1 11 11 THR H H 1 8.14 0.05 . . . . . . . 185 THR H . 26742 1 19 . 1 1 11 11 THR C C 13 170.64 0.5 . . . . . . . 185 THR C . 26742 1 20 . 1 1 11 11 THR CA C 13 59.39 0.5 . . . . . . . 185 THR CA . 26742 1 21 . 1 1 11 11 THR CB C 13 66.75 0.5 . . . . . . . 185 THR CB . 26742 1 22 . 1 1 11 11 THR N N 15 116.44 0.1 . . . . . . . 185 THR N . 26742 1 23 . 1 1 12 12 LYS H H 1 8.02 0.05 . . . . . . . 186 LYS H . 26742 1 24 . 1 1 12 12 LYS C C 13 172.26 0.5 . . . . . . . 186 LYS C . 26742 1 25 . 1 1 12 12 LYS CA C 13 49.96 0.5 . . . . . . . 186 LYS CA . 26742 1 26 . 1 1 12 12 LYS CB C 13 30.47 0.5 . . . . . . . 186 LYS CB . 26742 1 27 . 1 1 12 12 LYS N N 15 121.9 0.1 . . . . . . . 186 LYS N . 26742 1 28 . 1 1 13 13 PRO C C 13 174 0.5 . . . . . . . 187 PRO C . 26742 1 29 . 1 1 13 13 PRO CA C 13 59.85 0.5 . . . . . . . 187 PRO CA . 26742 1 30 . 1 1 13 13 PRO CB C 13 28.56 0.5 . . . . . . . 187 PRO CB . 26742 1 31 . 1 1 14 14 LEU H H 1 8.35 0.05 . . . . . . . 188 LEU H . 26742 1 32 . 1 1 14 14 LEU C C 13 172.93 0.5 . . . . . . . 188 LEU C . 26742 1 33 . 1 1 14 14 LEU CA C 13 50.17 0.5 . . . . . . . 188 LEU CA . 26742 1 34 . 1 1 14 14 LEU CB C 13 39.03 0.5 . . . . . . . 188 LEU CB . 26742 1 35 . 1 1 14 14 LEU N N 15 123.25 0.1 . . . . . . . 188 LEU N . 26742 1 36 . 1 1 15 15 PRO C C 13 174.93 0.5 . . . . . . . 189 PRO C . 26742 1 37 . 1 1 15 15 PRO CA C 13 60.4 0.5 . . . . . . . 189 PRO CA . 26742 1 38 . 1 1 15 15 PRO CB C 13 27.99 0.5 . . . . . . . 189 PRO CB . 26742 1 39 . 1 1 16 16 ALA H H 1 8.43 0.05 . . . . . . . 190 ALA H . 26742 1 40 . 1 1 16 16 ALA C C 13 175.78 0.5 . . . . . . . 190 ALA C . 26742 1 41 . 1 1 16 16 ALA CA C 13 52.03 0.5 . . . . . . . 190 ALA CA . 26742 1 42 . 1 1 16 16 ALA CB C 13 15.62 0.5 . . . . . . . 190 ALA CB . 26742 1 43 . 1 1 16 16 ALA N N 15 123.44 0.1 . . . . . . . 190 ALA N . 26742 1 44 . 1 1 17 17 LEU H H 1 7.99 0.05 . . . . . . . 191 LEU H . 26742 1 45 . 1 1 17 17 LEU C C 13 175.61 0.5 . . . . . . . 191 LEU C . 26742 1 46 . 1 1 17 17 LEU CA C 13 55.31 0.5 . . . . . . . 191 LEU CA . 26742 1 47 . 1 1 17 17 LEU CB C 13 38.4 0.5 . . . . . . . 191 LEU CB . 26742 1 48 . 1 1 17 17 LEU N N 15 116.77 0.1 . . . . . . . 191 LEU N . 26742 1 49 . 1 1 18 18 LYS H H 1 7.31 0.05 . . . . . . . 192 LYS H . 26742 1 50 . 1 1 18 18 LYS C C 13 175.61 0.5 . . . . . . . 192 LYS C . 26742 1 51 . 1 1 18 18 LYS CA C 13 55.92 0.5 . . . . . . . 192 LYS CA . 26742 1 52 . 1 1 18 18 LYS CB C 13 29.22 0.5 . . . . . . . 192 LYS CB . 26742 1 53 . 1 1 18 18 LYS N N 15 117.22 0.1 . . . . . . . 192 LYS N . 26742 1 54 . 1 1 19 19 LEU H H 1 8.11 0.05 . . . . . . . 193 LEU H . 26742 1 55 . 1 1 19 19 LEU C C 13 176.87 0.5 . . . . . . . 193 LEU C . 26742 1 56 . 1 1 19 19 LEU CA C 13 54.63 0.5 . . . . . . . 193 LEU CA . 26742 1 57 . 1 1 19 19 LEU CB C 13 38.82 0.5 . . . . . . . 193 LEU CB . 26742 1 58 . 1 1 19 19 LEU N N 15 118.94 0.1 . . . . . . . 193 LEU N . 26742 1 59 . 1 1 20 20 ALA H H 1 8.24 0.05 . . . . . . . 194 ALA H . 26742 1 60 . 1 1 20 20 ALA C C 13 174.94 0.5 . . . . . . . 194 ALA C . 26742 1 61 . 1 1 20 20 ALA CA C 13 52.65 0.5 . . . . . . . 194 ALA CA . 26742 1 62 . 1 1 20 20 ALA CB C 13 16 0.5 . . . . . . . 194 ALA CB . 26742 1 63 . 1 1 20 20 ALA N N 15 119.62 0.1 . . . . . . . 194 ALA N . 26742 1 64 . 1 1 21 21 LEU H H 1 8.12 0.05 . . . . . . . 195 LEU H . 26742 1 65 . 1 1 21 21 LEU C C 13 176.6 0.5 . . . . . . . 195 LEU C . 26742 1 66 . 1 1 21 21 LEU CA C 13 54.4 0.5 . . . . . . . 195 LEU CA . 26742 1 67 . 1 1 21 21 LEU CB C 13 38.31 0.5 . . . . . . . 195 LEU CB . 26742 1 68 . 1 1 21 21 LEU N N 15 112.79 0.1 . . . . . . . 195 LEU N . 26742 1 69 . 1 1 22 22 GLU H H 1 8.47 0.05 . . . . . . . 196 GLU H . 26742 1 70 . 1 1 22 22 GLU C C 13 171.3 0.5 . . . . . . . 196 GLU C . 26742 1 71 . 1 1 22 22 GLU CA C 13 53.67 0.5 . . . . . . . 196 GLU CA . 26742 1 72 . 1 1 22 22 GLU CB C 13 26.24 0.5 . . . . . . . 196 GLU CB . 26742 1 73 . 1 1 22 22 GLU N N 15 112.84 0.1 . . . . . . . 196 GLU N . 26742 1 74 . 1 1 23 23 TYR H H 1 7.38 0.05 . . . . . . . 197 TYR H . 26742 1 75 . 1 1 23 23 TYR C C 13 171.77 0.5 . . . . . . . 197 TYR C . 26742 1 76 . 1 1 23 23 TYR CA C 13 57.43 0.5 . . . . . . . 197 TYR CA . 26742 1 77 . 1 1 23 23 TYR CB C 13 37.48 0.5 . . . . . . . 197 TYR CB . 26742 1 78 . 1 1 23 23 TYR N N 15 117.18 0.1 . . . . . . . 197 TYR N . 26742 1 79 . 1 1 24 24 ILE H H 1 8.76 0.05 . . . . . . . 198 ILE H . 26742 1 80 . 1 1 24 24 ILE C C 13 174.9 0.5 . . . . . . . 198 ILE C . 26742 1 81 . 1 1 24 24 ILE CA C 13 62.65 0.5 . . . . . . . 198 ILE CA . 26742 1 82 . 1 1 24 24 ILE CB C 13 33.88 0.5 . . . . . . . 198 ILE CB . 26742 1 83 . 1 1 24 24 ILE N N 15 120.88 0.1 . . . . . . . 198 ILE N . 26742 1 84 . 1 1 25 25 VAL H H 1 8.56 0.05 . . . . . . . 199 VAL H . 26742 1 85 . 1 1 25 25 VAL C C 13 172.8 0.5 . . . . . . . 199 VAL C . 26742 1 86 . 1 1 25 25 VAL CA C 13 65.7 0.5 . . . . . . . 199 VAL CA . 26742 1 87 . 1 1 25 25 VAL CB C 13 26.4 0.5 . . . . . . . 199 VAL CB . 26742 1 88 . 1 1 25 25 VAL N N 15 116.06 0.1 . . . . . . . 199 VAL N . 26742 1 89 . 1 1 26 26 PRO C C 13 177.14 0.5 . . . . . . . 200 PRO C . 26742 1 90 . 1 1 26 26 PRO CA C 13 62.55 0.5 . . . . . . . 200 PRO CA . 26742 1 91 . 1 1 26 26 PRO CB C 13 26.81 0.5 . . . . . . . 200 PRO CB . 26742 1 92 . 1 1 27 27 CYS H H 1 7.76 0.05 . . . . . . . 201 CYS H . 26742 1 93 . 1 1 27 27 CYS C C 13 175.36 0.5 . . . . . . . 201 CYS C . 26742 1 94 . 1 1 27 27 CYS CA C 13 61.18 0.5 . . . . . . . 201 CYS CA . 26742 1 95 . 1 1 27 27 CYS CB C 13 24.03 0.5 . . . . . . . 201 CYS CB . 26742 1 96 . 1 1 27 27 CYS N N 15 115.62 0.1 . . . . . . . 201 CYS N . 26742 1 97 . 1 1 28 28 MET H H 1 8.71 0.05 . . . . . . . 202 MET H . 26742 1 98 . 1 1 28 28 MET C C 13 176.75 0.5 . . . . . . . 202 MET C . 26742 1 99 . 1 1 28 28 MET CA C 13 53.28 0.5 . . . . . . . 202 MET CA . 26742 1 100 . 1 1 28 28 MET CB C 13 26.17 0.5 . . . . . . . 202 MET CB . 26742 1 101 . 1 1 28 28 MET N N 15 117.61 0.1 . . . . . . . 202 MET N . 26742 1 102 . 1 1 29 29 ASN H H 1 8.51 0.05 . . . . . . . 203 ASN H . 26742 1 103 . 1 1 29 29 ASN C C 13 174.4 0.5 . . . . . . . 203 ASN C . 26742 1 104 . 1 1 29 29 ASN CA C 13 53.5 0.5 . . . . . . . 203 ASN CA . 26742 1 105 . 1 1 29 29 ASN CB C 13 34.71 0.5 . . . . . . . 203 ASN CB . 26742 1 106 . 1 1 29 29 ASN N N 15 116.48 0.1 . . . . . . . 203 ASN N . 26742 1 107 . 1 1 30 30 LYS H H 1 7.93 0.05 . . . . . . . 204 LYS H . 26742 1 108 . 1 1 30 30 LYS C C 13 174.93 0.5 . . . . . . . 204 LYS C . 26742 1 109 . 1 1 30 30 LYS CA C 13 55.52 0.5 . . . . . . . 204 LYS CA . 26742 1 110 . 1 1 30 30 LYS CB C 13 30 0.5 . . . . . . . 204 LYS CB . 26742 1 111 . 1 1 30 30 LYS N N 15 117.22 0.1 . . . . . . . 204 LYS N . 26742 1 112 . 1 1 31 31 HIS H H 1 8.48 0.05 . . . . . . . 205 HIS H . 26742 1 113 . 1 1 31 31 HIS C C 13 174.4 0.5 . . . . . . . 205 HIS C . 26742 1 114 . 1 1 31 31 HIS CA C 13 52.89 0.5 . . . . . . . 205 HIS CA . 26742 1 115 . 1 1 31 31 HIS CB C 13 29.27 0.5 . . . . . . . 205 HIS CB . 26742 1 116 . 1 1 31 31 HIS N N 15 113.09 0.1 . . . . . . . 205 HIS N . 26742 1 117 . 1 1 32 32 GLY H H 1 8.53 0.05 . . . . . . . 206 GLY H . 26742 1 118 . 1 1 32 32 GLY C C 13 168.37 0.5 . . . . . . . 206 GLY C . 26742 1 119 . 1 1 32 32 GLY CA C 13 44.21 0.5 . . . . . . . 206 GLY CA . 26742 1 120 . 1 1 32 32 GLY N N 15 110.44 0.1 . . . . . . . 206 GLY N . 26742 1 121 . 1 1 33 33 ILE H H 1 6.76 0.05 . . . . . . . 207 ILE H . 26742 1 122 . 1 1 33 33 ILE C C 13 172.84 0.5 . . . . . . . 207 ILE C . 26742 1 123 . 1 1 33 33 ILE CA C 13 56.94 0.5 . . . . . . . 207 ILE CA . 26742 1 124 . 1 1 33 33 ILE CB C 13 40.8 0.5 . . . . . . . 207 ILE CB . 26742 1 125 . 1 1 33 33 ILE N N 15 115.52 0.1 . . . . . . . 207 ILE N . 26742 1 126 . 1 1 34 34 CYS C C 13 169.05 0.5 . . . . . . . 208 CYS C . 26742 1 127 . 1 1 34 34 CYS CA C 13 56 0.5 . . . . . . . 208 CYS CA . 26742 1 128 . 1 1 34 34 CYS CB C 13 26.58 0.5 . . . . . . . 208 CYS CB . 26742 1 129 . 1 1 35 35 VAL H H 1 8.79 0.05 . . . . . . . 209 VAL H . 26742 1 130 . 1 1 35 35 VAL C C 13 172.52 0.5 . . . . . . . 209 VAL C . 26742 1 131 . 1 1 35 35 VAL CA C 13 58.69 0.5 . . . . . . . 209 VAL CA . 26742 1 132 . 1 1 35 35 VAL CB C 13 30.26 0.5 . . . . . . . 209 VAL CB . 26742 1 133 . 1 1 35 35 VAL N N 15 130.09 0.1 . . . . . . . 209 VAL N . 26742 1 134 . 1 1 36 36 VAL C C 13 171.53 0.5 . . . . . . . 210 VAL C . 26742 1 135 . 1 1 36 36 VAL CA C 13 58.42 0.5 . . . . . . . 210 VAL CA . 26742 1 136 . 1 1 36 36 VAL CB C 13 30.24 0.5 . . . . . . . 210 VAL CB . 26742 1 137 . 1 1 37 37 ASP H H 1 8.44 0.05 . . . . . . . 211 ASP H . 26742 1 138 . 1 1 37 37 ASP C C 13 173.11 0.5 . . . . . . . 211 ASP C . 26742 1 139 . 1 1 37 37 ASP CA C 13 51.44 0.5 . . . . . . . 211 ASP CA . 26742 1 140 . 1 1 37 37 ASP CB C 13 40.03 0.5 . . . . . . . 211 ASP CB . 26742 1 141 . 1 1 37 37 ASP N N 15 125.57 0.1 . . . . . . . 211 ASP N . 26742 1 142 . 1 1 38 38 ASP H H 1 8.71 0.05 . . . . . . . 212 ASP H . 26742 1 143 . 1 1 38 38 ASP C C 13 174.41 0.5 . . . . . . . 212 ASP C . 26742 1 144 . 1 1 38 38 ASP CA C 13 51.83 0.5 . . . . . . . 212 ASP CA . 26742 1 145 . 1 1 38 38 ASP CB C 13 35.79 0.5 . . . . . . . 212 ASP CB . 26742 1 146 . 1 1 38 38 ASP N N 15 117.61 0.1 . . . . . . . 212 ASP N . 26742 1 147 . 1 1 39 39 PHE H H 1 8.49 0.05 . . . . . . . 213 PHE H . 26742 1 148 . 1 1 39 39 PHE C C 13 173.64 0.5 . . . . . . . 213 PHE C . 26742 1 149 . 1 1 39 39 PHE CA C 13 57.38 0.5 . . . . . . . 213 PHE CA . 26742 1 150 . 1 1 39 39 PHE CB C 13 36.07 0.5 . . . . . . . 213 PHE CB . 26742 1 151 . 1 1 39 39 PHE N N 15 117.07 0.1 . . . . . . . 213 PHE N . 26742 1 152 . 1 1 40 40 LEU C C 13 176.68 0.5 . . . . . . . 214 LEU C . 26742 1 153 . 1 1 40 40 LEU CA C 13 51.45 0.5 . . . . . . . 214 LEU CA . 26742 1 154 . 1 1 40 40 LEU CB C 13 40.47 0.5 . . . . . . . 214 LEU CB . 26742 1 155 . 1 1 41 41 GLY H H 1 10.32 0.05 . . . . . . . 215 GLY H . 26742 1 156 . 1 1 41 41 GLY C C 13 171.31 0.5 . . . . . . . 215 GLY C . 26742 1 157 . 1 1 41 41 GLY CA C 13 40.79 0.5 . . . . . . . 215 GLY CA . 26742 1 158 . 1 1 41 41 GLY N N 15 115.16 0.1 . . . . . . . 215 GLY N . 26742 1 159 . 1 1 42 42 LYS H H 1 8.19 0.05 . . . . . . . 216 LYS H . 26742 1 160 . 1 1 42 42 LYS C C 13 175.85 0.5 . . . . . . . 216 LYS C . 26742 1 161 . 1 1 42 42 LYS CA C 13 57.18 0.5 . . . . . . . 216 LYS CA . 26742 1 162 . 1 1 42 42 LYS CB C 13 29.21 0.5 . . . . . . . 216 LYS CB . 26742 1 163 . 1 1 42 42 LYS N N 15 117.89 0.1 . . . . . . . 216 LYS N . 26742 1 164 . 1 1 43 43 GLU H H 1 8.63 0.05 . . . . . . . 217 GLU H . 26742 1 165 . 1 1 43 43 GLU C C 13 176.96 0.5 . . . . . . . 217 GLU C . 26742 1 166 . 1 1 43 43 GLU CA C 13 57.37 0.5 . . . . . . . 217 GLU CA . 26742 1 167 . 1 1 43 43 GLU CB C 13 25.27 0.5 . . . . . . . 217 GLU CB . 26742 1 168 . 1 1 43 43 GLU N N 15 118.84 0.1 . . . . . . . 217 GLU N . 26742 1 169 . 1 1 44 44 THR H H 1 8.67 0.05 . . . . . . . 218 THR H . 26742 1 170 . 1 1 44 44 THR C C 13 174.06 0.5 . . . . . . . 218 THR C . 26742 1 171 . 1 1 44 44 THR CA C 13 63.47 0.5 . . . . . . . 218 THR CA . 26742 1 172 . 1 1 44 44 THR CB C 13 64.35 0.5 . . . . . . . 218 THR CB . 26742 1 173 . 1 1 44 44 THR N N 15 118.14 0.1 . . . . . . . 218 THR N . 26742 1 174 . 1 1 45 45 GLY H H 1 8.63 0.05 . . . . . . . 219 GLY H . 26742 1 175 . 1 1 45 45 GLY C C 13 173.95 0.5 . . . . . . . 219 GLY C . 26742 1 176 . 1 1 45 45 GLY CA C 13 45.23 0.5 . . . . . . . 219 GLY CA . 26742 1 177 . 1 1 45 45 GLY N N 15 108.38 0.1 . . . . . . . 219 GLY N . 26742 1 178 . 1 1 46 46 GLN H H 1 8.59 0.05 . . . . . . . 220 GLN H . 26742 1 179 . 1 1 46 46 GLN C C 13 175.45 0.5 . . . . . . . 220 GLN C . 26742 1 180 . 1 1 46 46 GLN CA C 13 55.88 0.5 . . . . . . . 220 GLN CA . 26742 1 181 . 1 1 46 46 GLN N N 15 120.56 0.1 . . . . . . . 220 GLN N . 26742 1 182 . 1 1 47 47 GLN H H 1 7.63 0.05 . . . . . . . 221 GLN H . 26742 1 183 . 1 1 47 47 GLN C C 13 176.52 0.5 . . . . . . . 221 GLN C . 26742 1 184 . 1 1 47 47 GLN CA C 13 56.21 0.5 . . . . . . . 221 GLN CA . 26742 1 185 . 1 1 47 47 GLN CB C 13 25 0.5 . . . . . . . 221 GLN CB . 26742 1 186 . 1 1 47 47 GLN N N 15 120.01 0.1 . . . . . . . 221 GLN N . 26742 1 187 . 1 1 48 48 ILE H H 1 8.11 0.05 . . . . . . . 222 ILE H . 26742 1 188 . 1 1 48 48 ILE C C 13 175.51 0.5 . . . . . . . 222 ILE C . 26742 1 189 . 1 1 48 48 ILE CA C 13 63.11 0.5 . . . . . . . 222 ILE CA . 26742 1 190 . 1 1 48 48 ILE CB C 13 33.57 0.5 . . . . . . . 222 ILE CB . 26742 1 191 . 1 1 48 48 ILE N N 15 119.58 0.1 . . . . . . . 222 ILE N . 26742 1 192 . 1 1 49 49 GLY H H 1 8.45 0.05 . . . . . . . 223 GLY H . 26742 1 193 . 1 1 49 49 GLY C C 13 173.37 0.5 . . . . . . . 223 GLY C . 26742 1 194 . 1 1 49 49 GLY CA C 13 44.94 0.5 . . . . . . . 223 GLY CA . 26742 1 195 . 1 1 49 49 GLY N N 15 106.85 0.1 . . . . . . . 223 GLY N . 26742 1 196 . 1 1 50 50 ASP H H 1 8.52 0.05 . . . . . . . 224 ASP H . 26742 1 197 . 1 1 50 50 ASP C C 13 176.93 0.5 . . . . . . . 224 ASP C . 26742 1 198 . 1 1 50 50 ASP CA C 13 54.54 0.5 . . . . . . . 224 ASP CA . 26742 1 199 . 1 1 50 50 ASP CB C 13 36.51 0.5 . . . . . . . 224 ASP CB . 26742 1 200 . 1 1 50 50 ASP N N 15 122.72 0.1 . . . . . . . 224 ASP N . 26742 1 201 . 1 1 51 51 GLU H H 1 8.23 0.05 . . . . . . . 225 GLU H . 26742 1 202 . 1 1 51 51 GLU C C 13 177.96 0.5 . . . . . . . 225 GLU C . 26742 1 203 . 1 1 51 51 GLU CA C 13 56.72 0.5 . . . . . . . 225 GLU CA . 26742 1 204 . 1 1 51 51 GLU CB C 13 25.53 0.5 . . . . . . . 225 GLU CB . 26742 1 205 . 1 1 51 51 GLU N N 15 122.31 0.1 . . . . . . . 225 GLU N . 26742 1 206 . 1 1 52 52 VAL H H 1 8.66 0.05 . . . . . . . 226 VAL H . 26742 1 207 . 1 1 52 52 VAL C C 13 175.04 0.5 . . . . . . . 226 VAL C . 26742 1 208 . 1 1 52 52 VAL CA C 13 63.88 0.5 . . . . . . . 226 VAL CA . 26742 1 209 . 1 1 52 52 VAL CB C 13 27.67 0.5 . . . . . . . 226 VAL CB . 26742 1 210 . 1 1 52 52 VAL N N 15 119.62 0.1 . . . . . . . 226 VAL N . 26742 1 211 . 1 1 53 53 ARG H H 1 8.3 0.05 . . . . . . . 227 ARG H . 26742 1 212 . 1 1 53 53 ARG C C 13 175.95 0.5 . . . . . . . 227 ARG C . 26742 1 213 . 1 1 53 53 ARG CA C 13 56.93 0.5 . . . . . . . 227 ARG CA . 26742 1 214 . 1 1 53 53 ARG CB C 13 26.21 0.5 . . . . . . . 227 ARG CB . 26742 1 215 . 1 1 53 53 ARG N N 15 120.23 0.1 . . . . . . . 227 ARG N . 26742 1 216 . 1 1 54 54 ALA H H 1 7.92 0.05 . . . . . . . 228 ALA H . 26742 1 217 . 1 1 54 54 ALA C C 13 178.6 0.5 . . . . . . . 228 ALA C . 26742 1 218 . 1 1 54 54 ALA CA C 13 52.3 0.5 . . . . . . . 228 ALA CA . 26742 1 219 . 1 1 54 54 ALA CB C 13 14.27 0.5 . . . . . . . 228 ALA CB . 26742 1 220 . 1 1 54 54 ALA N N 15 120.86 0.1 . . . . . . . 228 ALA N . 26742 1 221 . 1 1 55 55 LEU H H 1 7.83 0.05 . . . . . . . 229 LEU H . 26742 1 222 . 1 1 55 55 LEU C C 13 176.47 0.5 . . . . . . . 229 LEU C . 26742 1 223 . 1 1 55 55 LEU CA C 13 54.71 0.5 . . . . . . . 229 LEU CA . 26742 1 224 . 1 1 55 55 LEU CB C 13 39.18 0.5 . . . . . . . 229 LEU CB . 26742 1 225 . 1 1 55 55 LEU N N 15 119.13 0.1 . . . . . . . 229 LEU N . 26742 1 226 . 1 1 56 56 HIS H H 1 8.4 0.05 . . . . . . . 230 HIS H . 26742 1 227 . 1 1 56 56 HIS C C 13 176.25 0.5 . . . . . . . 230 HIS C . 26742 1 228 . 1 1 56 56 HIS CA C 13 55.79 0.5 . . . . . . . 230 HIS CA . 26742 1 229 . 1 1 56 56 HIS CB C 13 25.46 0.5 . . . . . . . 230 HIS CB . 26742 1 230 . 1 1 56 56 HIS N N 15 119.19 0.1 . . . . . . . 230 HIS N . 26742 1 231 . 1 1 57 57 ASP H H 1 8.93 0.05 . . . . . . . 231 ASP H . 26742 1 232 . 1 1 57 57 ASP C C 13 174.58 0.5 . . . . . . . 231 ASP C . 26742 1 233 . 1 1 57 57 ASP CA C 13 53.64 0.5 . . . . . . . 231 ASP CA . 26742 1 234 . 1 1 57 57 ASP CB C 13 37 0.5 . . . . . . . 231 ASP CB . 26742 1 235 . 1 1 57 57 ASP N N 15 121.1 0.1 . . . . . . . 231 ASP N . 26742 1 236 . 1 1 58 58 THR H H 1 7.57 0.05 . . . . . . . 232 THR H . 26742 1 237 . 1 1 58 58 THR C C 13 173.44 0.5 . . . . . . . 232 THR C . 26742 1 238 . 1 1 58 58 THR CA C 13 59.76 0.5 . . . . . . . 232 THR CA . 26742 1 239 . 1 1 58 58 THR CB C 13 67.11 0.5 . . . . . . . 232 THR CB . 26742 1 240 . 1 1 58 58 THR N N 15 108.07 0.1 . . . . . . . 232 THR N . 26742 1 241 . 1 1 59 59 GLY H H 1 7.63 0.05 . . . . . . . 233 GLY H . 26742 1 242 . 1 1 59 59 GLY C C 13 173.17 0.5 . . . . . . . 233 GLY C . 26742 1 243 . 1 1 59 59 GLY CA C 13 43.59 0.5 . . . . . . . 233 GLY CA . 26742 1 244 . 1 1 59 59 GLY N N 15 108.11 0.1 . . . . . . . 233 GLY N . 26742 1 245 . 1 1 60 60 LYS H H 1 7.61 0.05 . . . . . . . 234 LYS H . 26742 1 246 . 1 1 60 60 LYS C C 13 174.44 0.5 . . . . . . . 234 LYS C . 26742 1 247 . 1 1 60 60 LYS CA C 13 53.29 0.5 . . . . . . . 234 LYS CA . 26742 1 248 . 1 1 60 60 LYS CB C 13 29.01 0.5 . . . . . . . 234 LYS CB . 26742 1 249 . 1 1 60 60 LYS N N 15 115.98 0.1 . . . . . . . 234 LYS N . 26742 1 250 . 1 1 61 61 PHE H H 1 8.53 0.05 . . . . . . . 235 PHE H . 26742 1 251 . 1 1 61 61 PHE C C 13 174.06 0.5 . . . . . . . 235 PHE C . 26742 1 252 . 1 1 61 61 PHE CA C 13 53.85 0.5 . . . . . . . 235 PHE CA . 26742 1 253 . 1 1 61 61 PHE CB C 13 35.11 0.5 . . . . . . . 235 PHE CB . 26742 1 254 . 1 1 61 61 PHE N N 15 119.92 0.1 . . . . . . . 235 PHE N . 26742 1 255 . 1 1 62 62 THR H H 1 9.51 0.05 . . . . . . . 236 THR H . 26742 1 256 . 1 1 62 62 THR C C 13 171.49 0.5 . . . . . . . 236 THR C . 26742 1 257 . 1 1 62 62 THR CA C 13 56.95 0.5 . . . . . . . 236 THR CA . 26742 1 258 . 1 1 62 62 THR CB C 13 68.68 0.5 . . . . . . . 236 THR CB . 26742 1 259 . 1 1 62 62 THR N N 15 113.75 0.1 . . . . . . . 236 THR N . 26742 1 260 . 1 1 63 63 ASP H H 1 8.48 0.05 . . . . . . . 237 ASP H . 26742 1 261 . 1 1 63 63 ASP C C 13 175.05 0.5 . . . . . . . 237 ASP C . 26742 1 262 . 1 1 63 63 ASP CA C 13 53.24 0.5 . . . . . . . 237 ASP CA . 26742 1 263 . 1 1 63 63 ASP CB C 13 35.78 0.5 . . . . . . . 237 ASP CB . 26742 1 264 . 1 1 63 63 ASP N N 15 120.99 0.1 . . . . . . . 237 ASP N . 26742 1 265 . 1 1 64 64 GLY H H 1 8.21 0.05 . . . . . . . 238 GLY H . 26742 1 266 . 1 1 64 64 GLY C C 13 178.56 0.5 . . . . . . . 238 GLY C . 26742 1 267 . 1 1 64 64 GLY CA C 13 42.46 0.5 . . . . . . . 238 GLY CA . 26742 1 268 . 1 1 64 64 GLY N N 15 108.81 0.1 . . . . . . . 238 GLY N . 26742 1 269 . 1 1 67 67 VAL C C 13 173.61 0.5 . . . . . . . 241 VAL C . 26742 1 270 . 1 1 67 67 VAL CA C 13 59.38 0.5 . . . . . . . 241 VAL CA . 26742 1 271 . 1 1 67 67 VAL CB C 13 29.19 0.5 . . . . . . . 241 VAL CB . 26742 1 272 . 1 1 68 68 SER H H 1 8.25 0.05 . . . . . . . 242 SER H . 26742 1 273 . 1 1 68 68 SER C C 13 171.9 0.5 . . . . . . . 242 SER C . 26742 1 274 . 1 1 68 68 SER CA C 13 55.27 0.5 . . . . . . . 242 SER CA . 26742 1 275 . 1 1 68 68 SER CB C 13 60.54 0.5 . . . . . . . 242 SER CB . 26742 1 276 . 1 1 68 68 SER N N 15 118.46 0.1 . . . . . . . 242 SER N . 26742 1 277 . 1 1 69 69 GLN H H 1 8.336 0.05 . . . . . . . 243 GLN H . 26742 1 278 . 1 1 69 69 GLN C C 13 173.25 0.5 . . . . . . . 243 GLN C . 26742 1 279 . 1 1 69 69 GLN CA C 13 53.29 0.5 . . . . . . . 243 GLN CA . 26742 1 280 . 1 1 69 69 GLN CB C 13 26.11 0.5 . . . . . . . 243 GLN CB . 26742 1 281 . 1 1 69 69 GLN N N 15 122.01 0.1 . . . . . . . 243 GLN N . 26742 1 282 . 1 1 70 70 LYS C C 13 174.15 0.5 . . . . . . . 244 LYS C . 26742 1 283 . 1 1 70 70 LYS CA C 13 53.13 0.5 . . . . . . . 244 LYS CA . 26742 1 284 . 1 1 70 70 LYS CB C 13 29.61 0.5 . . . . . . . 244 LYS CB . 26742 1 285 . 1 1 71 71 SER H H 1 8.23 0.05 . . . . . . . 245 SER H . 26742 1 286 . 1 1 71 71 SER C C 13 171.9 0.5 . . . . . . . 245 SER C . 26742 1 287 . 1 1 71 71 SER CA C 13 55.53 0.5 . . . . . . . 245 SER CA . 26742 1 288 . 1 1 71 71 SER CB C 13 60.63 0.5 . . . . . . . 245 SER CB . 26742 1 289 . 1 1 71 71 SER N N 15 115.97 0.1 . . . . . . . 245 SER N . 26742 1 290 . 1 1 72 72 ASP H H 1 8.48 0.05 . . . . . . . 246 ASP H . 26742 1 291 . 1 1 72 72 ASP C C 13 173.79 0.5 . . . . . . . 246 ASP C . 26742 1 292 . 1 1 72 72 ASP CA C 13 51.94 0.5 . . . . . . . 246 ASP CA . 26742 1 293 . 1 1 72 72 ASP CB C 13 37.33 0.5 . . . . . . . 246 ASP CB . 26742 1 294 . 1 1 72 72 ASP N N 15 120.91 0.1 . . . . . . . 246 ASP N . 26742 1 295 . 1 1 73 73 SER H H 1 8.1 0.05 . . . . . . . 247 SER H . 26742 1 296 . 1 1 73 73 SER C C 13 172.64 0.5 . . . . . . . 247 SER C . 26742 1 297 . 1 1 73 73 SER CA C 13 55.2 0.5 . . . . . . . 247 SER CA . 26742 1 298 . 1 1 73 73 SER CB C 13 60.47 0.5 . . . . . . . 247 SER CB . 26742 1 299 . 1 1 73 73 SER N N 15 113.78 0.1 . . . . . . . 247 SER N . 26742 1 300 . 1 1 74 74 SER H H 1 8.49 0.05 . . . . . . . 248 SER H . 26742 1 301 . 1 1 74 74 SER C C 13 172.85 0.5 . . . . . . . 248 SER C . 26742 1 302 . 1 1 74 74 SER CA C 13 56.51 0.5 . . . . . . . 248 SER CA . 26742 1 303 . 1 1 74 74 SER CB C 13 60.47 0.5 . . . . . . . 248 SER CB . 26742 1 304 . 1 1 74 74 SER N N 15 119.01 0.1 . . . . . . . 248 SER N . 26742 1 305 . 1 1 75 75 LYS H H 1 8.03 0.05 . . . . . . . 249 LYS H . 26742 1 306 . 1 1 75 75 LYS C C 13 173.74 0.5 . . . . . . . 249 LYS C . 26742 1 307 . 1 1 75 75 LYS CA C 13 54.39 0.5 . . . . . . . 249 LYS CA . 26742 1 308 . 1 1 75 75 LYS CB C 13 28.48 0.5 . . . . . . . 249 LYS CB . 26742 1 309 . 1 1 75 75 LYS N N 15 121.64 0.1 . . . . . . . 249 LYS N . 26742 1 310 . 1 1 76 76 ASP H H 1 8.17 0.05 . . . . . . . 250 ASP H . 26742 1 311 . 1 1 76 76 ASP C C 13 173.16 0.5 . . . . . . . 250 ASP C . 26742 1 312 . 1 1 76 76 ASP CA C 13 52.01 0.5 . . . . . . . 250 ASP CA . 26742 1 313 . 1 1 76 76 ASP CB C 13 36.77 0.5 . . . . . . . 250 ASP CB . 26742 1 314 . 1 1 76 76 ASP N N 15 117.17 0.1 . . . . . . . 250 ASP N . 26742 1 315 . 1 1 77 77 ILE H H 1 7.87 0.05 . . . . . . . 251 ILE H . 26742 1 316 . 1 1 77 77 ILE C C 13 172.12 0.5 . . . . . . . 251 ILE C . 26742 1 317 . 1 1 77 77 ILE CA C 13 59.52 0.5 . . . . . . . 251 ILE CA . 26742 1 318 . 1 1 77 77 ILE CB C 13 35.5 0.5 . . . . . . . 251 ILE CB . 26742 1 319 . 1 1 77 77 ILE N N 15 121.36 0.1 . . . . . . . 251 ILE N . 26742 1 320 . 1 1 78 78 ARG H H 1 7.99 0.05 . . . . . . . 252 ARG H . 26742 1 321 . 1 1 78 78 ARG C C 13 172.72 0.5 . . . . . . . 252 ARG C . 26742 1 322 . 1 1 78 78 ARG CA C 13 50.93 0.5 . . . . . . . 252 ARG CA . 26742 1 323 . 1 1 78 78 ARG CB C 13 28.36 0.5 . . . . . . . 252 ARG CB . 26742 1 324 . 1 1 78 78 ARG N N 15 113.93 0.1 . . . . . . . 252 ARG N . 26742 1 325 . 1 1 79 79 GLY H H 1 8.82 0.05 . . . . . . . 253 GLY H . 26742 1 326 . 1 1 79 79 GLY C C 13 170.41 0.5 . . . . . . . 253 GLY C . 26742 1 327 . 1 1 79 79 GLY CA C 13 42.15 0.5 . . . . . . . 253 GLY CA . 26742 1 328 . 1 1 79 79 GLY N N 15 110.37 0.1 . . . . . . . 253 GLY N . 26742 1 329 . 1 1 80 80 ASP H H 1 9.48 0.05 . . . . . . . 254 ASP H . 26742 1 330 . 1 1 80 80 ASP C C 13 173.53 0.5 . . . . . . . 254 ASP C . 26742 1 331 . 1 1 80 80 ASP CA C 13 49.17 0.5 . . . . . . . 254 ASP CA . 26742 1 332 . 1 1 80 80 ASP CB C 13 34.82 0.5 . . . . . . . 254 ASP CB . 26742 1 333 . 1 1 80 80 ASP N N 15 116.35 0.1 . . . . . . . 254 ASP N . 26742 1 334 . 1 1 81 81 LYS H H 1 8.46 0.05 . . . . . . . 255 LYS H . 26742 1 335 . 1 1 81 81 LYS C C 13 173.33 0.5 . . . . . . . 255 LYS C . 26742 1 336 . 1 1 81 81 LYS CA C 13 50.45 0.5 . . . . . . . 255 LYS CA . 26742 1 337 . 1 1 81 81 LYS CB C 13 31.31 0.5 . . . . . . . 255 LYS CB . 26742 1 338 . 1 1 81 81 LYS N N 15 119.68 0.1 . . . . . . . 255 LYS N . 26742 1 339 . 1 1 82 82 ILE H H 1 9.67 0.05 . . . . . . . 256 ILE H . 26742 1 340 . 1 1 82 82 ILE C C 13 175.12 0.5 . . . . . . . 256 ILE C . 26742 1 341 . 1 1 82 82 ILE CA C 13 55.31 0.5 . . . . . . . 256 ILE CA . 26742 1 342 . 1 1 82 82 ILE CB C 13 40.79 0.5 . . . . . . . 256 ILE CB . 26742 1 343 . 1 1 82 82 ILE N N 15 114.71 0.1 . . . . . . . 256 ILE N . 26742 1 344 . 1 1 83 83 THR H H 1 8.14 0.05 . . . . . . . 257 THR H . 26742 1 345 . 1 1 83 83 THR C C 13 168.11 0.5 . . . . . . . 257 THR C . 26742 1 346 . 1 1 83 83 THR CA C 13 58.52 0.5 . . . . . . . 257 THR CA . 26742 1 347 . 1 1 83 83 THR CB C 13 67.17 0.5 . . . . . . . 257 THR CB . 26742 1 348 . 1 1 83 83 THR N N 15 113.3 0.1 . . . . . . . 257 THR N . 26742 1 349 . 1 1 84 84 TRP H H 1 7.96 0.05 . . . . . . . 258 TRP H . 26742 1 350 . 1 1 84 84 TRP C C 13 174.16 0.5 . . . . . . . 258 TRP C . 26742 1 351 . 1 1 84 84 TRP CA C 13 52.54 0.5 . . . . . . . 258 TRP CA . 26742 1 352 . 1 1 84 84 TRP CB C 13 27.89 0.5 . . . . . . . 258 TRP CB . 26742 1 353 . 1 1 84 84 TRP N N 15 124.52 0.1 . . . . . . . 258 TRP N . 26742 1 354 . 1 1 85 85 ILE H H 1 9.86 0.05 . . . . . . . 259 ILE H . 26742 1 355 . 1 1 85 85 ILE C C 13 172.22 0.5 . . . . . . . 259 ILE C . 26742 1 356 . 1 1 85 85 ILE CA C 13 53.91 0.5 . . . . . . . 259 ILE CA . 26742 1 357 . 1 1 85 85 ILE CB C 13 36.93 0.5 . . . . . . . 259 ILE CB . 26742 1 358 . 1 1 85 85 ILE N N 15 125.54 0.1 . . . . . . . 259 ILE N . 26742 1 359 . 1 1 86 86 GLU H H 1 11.33 0.05 . . . . . . . 260 GLU H . 26742 1 360 . 1 1 86 86 GLU C C 13 175.08 0.5 . . . . . . . 260 GLU C . 26742 1 361 . 1 1 86 86 GLU CA C 13 54.54 0.5 . . . . . . . 260 GLU CA . 26742 1 362 . 1 1 86 86 GLU CB C 13 27.68 0.5 . . . . . . . 260 GLU CB . 26742 1 363 . 1 1 86 86 GLU N N 15 128.54 0.1 . . . . . . . 260 GLU N . 26742 1 364 . 1 1 87 87 GLY H H 1 10.02 0.05 . . . . . . . 261 GLY H . 26742 1 365 . 1 1 87 87 GLY C C 13 169.59 0.5 . . . . . . . 261 GLY C . 26742 1 366 . 1 1 87 87 GLY CA C 13 41.55 0.5 . . . . . . . 261 GLY CA . 26742 1 367 . 1 1 87 87 GLY N N 15 109.31 0.1 . . . . . . . 261 GLY N . 26742 1 368 . 1 1 88 88 LYS H H 1 6.78 0.05 . . . . . . . 262 LYS H . 26742 1 369 . 1 1 88 88 LYS C C 13 173.48 0.5 . . . . . . . 262 LYS C . 26742 1 370 . 1 1 88 88 LYS CA C 13 52.09 0.5 . . . . . . . 262 LYS CA . 26742 1 371 . 1 1 88 88 LYS CB C 13 29.73 0.5 . . . . . . . 262 LYS CB . 26742 1 372 . 1 1 88 88 LYS N N 15 116.32 0.1 . . . . . . . 262 LYS N . 26742 1 373 . 1 1 89 89 GLU H H 1 10.65 0.05 . . . . . . . 263 GLU H . 26742 1 374 . 1 1 89 89 GLU C C 13 171.93 0.5 . . . . . . . 263 GLU C . 26742 1 375 . 1 1 89 89 GLU CA C 13 53.74 0.5 . . . . . . . 263 GLU CA . 26742 1 376 . 1 1 89 89 GLU CB C 13 23.65 0.5 . . . . . . . 263 GLU CB . 26742 1 377 . 1 1 89 89 GLU N N 15 126.42 0.1 . . . . . . . 263 GLU N . 26742 1 378 . 1 1 90 90 PRO C C 13 175.6 0.5 . . . . . . . 264 PRO C . 26742 1 379 . 1 1 90 90 PRO CA C 13 60.68 0.5 . . . . . . . 264 PRO CA . 26742 1 380 . 1 1 90 90 PRO CB C 13 27.88 0.5 . . . . . . . 264 PRO CB . 26742 1 381 . 1 1 91 91 GLY H H 1 9.12 0.05 . . . . . . . 265 GLY H . 26742 1 382 . 1 1 91 91 GLY C C 13 172.32 0.5 . . . . . . . 265 GLY C . 26742 1 383 . 1 1 91 91 GLY CA C 13 42.58 0.5 . . . . . . . 265 GLY CA . 26742 1 384 . 1 1 91 91 GLY N N 15 113.78 0.1 . . . . . . . 265 GLY N . 26742 1 385 . 1 1 92 92 CYS H H 1 7.77 0.05 . . . . . . . 266 CYS H . 26742 1 386 . 1 1 92 92 CYS C C 13 172.89 0.5 . . . . . . . 266 CYS C . 26742 1 387 . 1 1 92 92 CYS CA C 13 54.94 0.5 . . . . . . . 266 CYS CA . 26742 1 388 . 1 1 92 92 CYS CB C 13 25.38 0.5 . . . . . . . 266 CYS CB . 26742 1 389 . 1 1 92 92 CYS N N 15 115.16 0.1 . . . . . . . 266 CYS N . 26742 1 390 . 1 1 93 93 GLU H H 1 9.11 0.05 . . . . . . . 267 GLU H . 26742 1 391 . 1 1 93 93 GLU C C 13 177.01 0.5 . . . . . . . 267 GLU C . 26742 1 392 . 1 1 93 93 GLU CA C 13 57.85 0.5 . . . . . . . 267 GLU CA . 26742 1 393 . 1 1 93 93 GLU N N 15 120.09 0.1 . . . . . . . 267 GLU N . 26742 1 394 . 1 1 94 94 THR H H 1 10.3 0.05 . . . . . . . 268 THR H . 26742 1 395 . 1 1 94 94 THR C C 13 172.82 0.5 . . . . . . . 268 THR C . 26742 1 396 . 1 1 94 94 THR CA C 13 63.11 0.5 . . . . . . . 268 THR CA . 26742 1 397 . 1 1 94 94 THR N N 15 121.57 0.1 . . . . . . . 268 THR N . 26742 1 398 . 1 1 95 95 ILE H H 1 8.32 0.05 . . . . . . . 269 ILE H . 26742 1 399 . 1 1 95 95 ILE C C 13 176.18 0.5 . . . . . . . 269 ILE C . 26742 1 400 . 1 1 95 95 ILE CA C 13 63.57 0.5 . . . . . . . 269 ILE CA . 26742 1 401 . 1 1 95 95 ILE CB C 13 34.03 0.5 . . . . . . . 269 ILE CB . 26742 1 402 . 1 1 95 95 ILE N N 15 125.55 0.1 . . . . . . . 269 ILE N . 26742 1 403 . 1 1 96 96 GLY H H 1 8.43 0.05 . . . . . . . 270 GLY H . 26742 1 404 . 1 1 96 96 GLY C C 13 173.77 0.5 . . . . . . . 270 GLY C . 26742 1 405 . 1 1 96 96 GLY CA C 13 44.94 0.5 . . . . . . . 270 GLY CA . 26742 1 406 . 1 1 96 96 GLY N N 15 106.6 0.1 . . . . . . . 270 GLY N . 26742 1 407 . 1 1 97 97 LEU H H 1 7.71 0.05 . . . . . . . 271 LEU H . 26742 1 408 . 1 1 97 97 LEU C C 13 177.73 0.5 . . . . . . . 271 LEU C . 26742 1 409 . 1 1 97 97 LEU CA C 13 55.2 0.5 . . . . . . . 271 LEU CA . 26742 1 410 . 1 1 97 97 LEU CB C 13 37.64 0.5 . . . . . . . 271 LEU CB . 26742 1 411 . 1 1 97 97 LEU N N 15 125.53 0.1 . . . . . . . 271 LEU N . 26742 1 412 . 1 1 109 109 CYS C C 13 172.15 0.5 . . . . . . . 283 CYS C . 26742 1 413 . 1 1 109 109 CYS CA C 13 58.03 0.5 . . . . . . . 283 CYS CA . 26742 1 414 . 1 1 109 109 CYS CB C 13 24.55 0.5 . . . . . . . 283 CYS CB . 26742 1 415 . 1 1 110 110 ASN H H 1 7.66 0.05 . . . . . . . 284 ASN H . 26742 1 416 . 1 1 110 110 ASN C C 13 173.13 0.5 . . . . . . . 284 ASN C . 26742 1 417 . 1 1 110 110 ASN CA C 13 52.08 0.5 . . . . . . . 284 ASN CA . 26742 1 418 . 1 1 110 110 ASN CB C 13 35.14 0.5 . . . . . . . 284 ASN CB . 26742 1 419 . 1 1 110 110 ASN N N 15 117.76 0.1 . . . . . . . 284 ASN N . 26742 1 420 . 1 1 111 111 GLY H H 1 8.79 0.05 . . . . . . . 285 GLY H . 26742 1 421 . 1 1 111 111 GLY C C 13 172.5 0.5 . . . . . . . 285 GLY C . 26742 1 422 . 1 1 111 111 GLY CA C 13 42.78 0.5 . . . . . . . 285 GLY CA . 26742 1 423 . 1 1 111 111 GLY N N 15 113.43 0.1 . . . . . . . 285 GLY N . 26742 1 424 . 1 1 112 112 LYS H H 1 8.1 0.05 . . . . . . . 286 LYS H . 26742 1 425 . 1 1 112 112 LYS C C 13 173.62 0.5 . . . . . . . 286 LYS C . 26742 1 426 . 1 1 112 112 LYS CA C 13 52.38 0.5 . . . . . . . 286 LYS CA . 26742 1 427 . 1 1 112 112 LYS CB C 13 30.91 0.5 . . . . . . . 286 LYS CB . 26742 1 428 . 1 1 112 112 LYS N N 15 116.47 0.1 . . . . . . . 286 LYS N . 26742 1 429 . 1 1 113 113 LEU H H 1 7.66 0.05 . . . . . . . 287 LEU H . 26742 1 430 . 1 1 113 113 LEU C C 13 172.48 0.5 . . . . . . . 287 LEU C . 26742 1 431 . 1 1 113 113 LEU CA C 13 50.16 0.5 . . . . . . . 287 LEU CA . 26742 1 432 . 1 1 113 113 LEU CB C 13 37.6 0.5 . . . . . . . 287 LEU CB . 26742 1 433 . 1 1 113 113 LEU N N 15 120.37 0.1 . . . . . . . 287 LEU N . 26742 1 434 . 1 1 114 114 GLY H H 1 8.71 0.05 . . . . . . . 288 GLY H . 26742 1 435 . 1 1 114 114 GLY C C 13 170.87 0.5 . . . . . . . 288 GLY C . 26742 1 436 . 1 1 114 114 GLY CA C 13 43.85 0.5 . . . . . . . 288 GLY CA . 26742 1 437 . 1 1 114 114 GLY N N 15 113.19 0.1 . . . . . . . 288 GLY N . 26742 1 438 . 1 1 115 115 SER H H 1 7.79 0.05 . . . . . . . 289 SER H . 26742 1 439 . 1 1 115 115 SER C C 13 172.09 0.5 . . . . . . . 289 SER C . 26742 1 440 . 1 1 115 115 SER CA C 13 54.02 0.5 . . . . . . . 289 SER CA . 26742 1 441 . 1 1 115 115 SER CB C 13 59.79 0.5 . . . . . . . 289 SER CB . 26742 1 442 . 1 1 115 115 SER N N 15 118.86 0.1 . . . . . . . 289 SER N . 26742 1 443 . 1 1 116 116 TYR H H 1 7.3 0.05 . . . . . . . 290 TYR H . 26742 1 444 . 1 1 116 116 TYR C C 13 173.77 0.5 . . . . . . . 290 TYR C . 26742 1 445 . 1 1 116 116 TYR CA C 13 55.23 0.5 . . . . . . . 290 TYR CA . 26742 1 446 . 1 1 116 116 TYR CB C 13 36.36 0.5 . . . . . . . 290 TYR CB . 26742 1 447 . 1 1 116 116 TYR N N 15 119.88 0.1 . . . . . . . 290 TYR N . 26742 1 448 . 1 1 117 117 LYS H H 1 9.22 0.05 . . . . . . . 291 LYS H . 26742 1 449 . 1 1 117 117 LYS C C 13 172.48 0.5 . . . . . . . 291 LYS C . 26742 1 450 . 1 1 117 117 LYS CA C 13 52.28 0.5 . . . . . . . 291 LYS CA . 26742 1 451 . 1 1 117 117 LYS CB C 13 28.93 0.5 . . . . . . . 291 LYS CB . 26742 1 452 . 1 1 117 117 LYS N N 15 125.83 0.1 . . . . . . . 291 LYS N . 26742 1 453 . 1 1 118 118 ILE H H 1 8.6 0.05 . . . . . . . 292 ILE H . 26742 1 454 . 1 1 118 118 ILE C C 13 174.1 0.5 . . . . . . . 292 ILE C . 26742 1 455 . 1 1 118 118 ILE CA C 13 58.58 0.5 . . . . . . . 292 ILE CA . 26742 1 456 . 1 1 118 118 ILE CB C 13 33.84 0.5 . . . . . . . 292 ILE CB . 26742 1 457 . 1 1 118 118 ILE N N 15 125.04 0.1 . . . . . . . 292 ILE N . 26742 1 458 . 1 1 119 119 ASN CA C 13 49.28 0.5 . . . . . . . 293 ASN CA . 26742 1 459 . 1 1 119 119 ASN CB C 13 36.73 0.5 . . . . . . . 293 ASN CB . 26742 1 460 . 1 1 120 120 GLY H H 1 7.92 0.05 . . . . . . . 294 GLY H . 26742 1 461 . 1 1 120 120 GLY C C 13 168.31 0.5 . . . . . . . 294 GLY C . 26742 1 462 . 1 1 120 120 GLY CA C 13 43.45 0.5 . . . . . . . 294 GLY CA . 26742 1 463 . 1 1 120 120 GLY N N 15 108.32 0.1 . . . . . . . 294 GLY N . 26742 1 464 . 1 1 121 121 ARG H H 1 9.14 0.05 . . . . . . . 295 ARG H . 26742 1 465 . 1 1 121 121 ARG C C 13 172.97 0.5 . . . . . . . 295 ARG C . 26742 1 466 . 1 1 121 121 ARG CA C 13 52.17 0.5 . . . . . . . 295 ARG CA . 26742 1 467 . 1 1 121 121 ARG CB C 13 28.48 0.5 . . . . . . . 295 ARG CB . 26742 1 468 . 1 1 121 121 ARG N N 15 115.22 0.1 . . . . . . . 295 ARG N . 26742 1 469 . 1 1 122 122 THR H H 1 7.99 0.05 . . . . . . . 296 THR H . 26742 1 470 . 1 1 122 122 THR C C 13 174.23 0.5 . . . . . . . 296 THR C . 26742 1 471 . 1 1 122 122 THR CA C 13 58.67 0.5 . . . . . . . 296 THR CA . 26742 1 472 . 1 1 122 122 THR CB C 13 70.27 0.5 . . . . . . . 296 THR CB . 26742 1 473 . 1 1 122 122 THR N N 15 108.51 0.1 . . . . . . . 296 THR N . 26742 1 474 . 1 1 123 123 LYS H H 1 8.02 0.05 . . . . . . . 297 LYS H . 26742 1 475 . 1 1 123 123 LYS C C 13 172.61 0.5 . . . . . . . 297 LYS C . 26742 1 476 . 1 1 123 123 LYS CA C 13 54.91 0.5 . . . . . . . 297 LYS CA . 26742 1 477 . 1 1 123 123 LYS CB C 13 30.6 0.5 . . . . . . . 297 LYS CB . 26742 1 478 . 1 1 123 123 LYS N N 15 115.25 0.1 . . . . . . . 297 LYS N . 26742 1 479 . 1 1 124 124 ALA H H 1 8.46 0.05 . . . . . . . 298 ALA H . 26742 1 480 . 1 1 124 124 ALA C C 13 175.05 0.5 . . . . . . . 298 ALA C . 26742 1 481 . 1 1 124 124 ALA CA C 13 48.81 0.5 . . . . . . . 298 ALA CA . 26742 1 482 . 1 1 124 124 ALA CB C 13 15.7 0.5 . . . . . . . 298 ALA CB . 26742 1 483 . 1 1 124 124 ALA N N 15 120.87 0.1 . . . . . . . 298 ALA N . 26742 1 484 . 1 1 125 125 MET H H 1 9.82 0.05 . . . . . . . 299 MET H . 26742 1 485 . 1 1 125 125 MET C C 13 172.43 0.5 . . . . . . . 299 MET C . 26742 1 486 . 1 1 125 125 MET CA C 13 51.02 0.5 . . . . . . . 299 MET CA . 26742 1 487 . 1 1 125 125 MET CB C 13 30.11 0.5 . . . . . . . 299 MET CB . 26742 1 488 . 1 1 125 125 MET N N 15 124.97 0.1 . . . . . . . 299 MET N . 26742 1 489 . 1 1 126 126 VAL H H 1 8.62 0.05 . . . . . . . 300 VAL H . 26742 1 490 . 1 1 126 126 VAL C C 13 171.27 0.5 . . . . . . . 300 VAL C . 26742 1 491 . 1 1 126 126 VAL CA C 13 59.16 0.5 . . . . . . . 300 VAL CA . 26742 1 492 . 1 1 126 126 VAL CB C 13 27.62 0.5 . . . . . . . 300 VAL CB . 26742 1 493 . 1 1 126 126 VAL N N 15 129.59 0.1 . . . . . . . 300 VAL N . 26742 1 494 . 1 1 127 127 ALA H H 1 9.04 0.05 . . . . . . . 301 ALA H . 26742 1 495 . 1 1 127 127 ALA C C 13 173.41 0.5 . . . . . . . 301 ALA C . 26742 1 496 . 1 1 127 127 ALA CA C 13 47.65 0.5 . . . . . . . 301 ALA CA . 26742 1 497 . 1 1 127 127 ALA CB C 13 21.34 0.5 . . . . . . . 301 ALA CB . 26742 1 498 . 1 1 127 127 ALA N N 15 127.58 0.1 . . . . . . . 301 ALA N . 26742 1 499 . 1 1 128 128 CYS H H 1 9.24 0.05 . . . . . . . 302 CYS H . 26742 1 500 . 1 1 128 128 CYS C C 13 172.91 0.5 . . . . . . . 302 CYS C . 26742 1 501 . 1 1 128 128 CYS CA C 13 52.92 0.5 . . . . . . . 302 CYS CA . 26742 1 502 . 1 1 128 128 CYS CB C 13 27.61 0.5 . . . . . . . 302 CYS CB . 26742 1 503 . 1 1 128 128 CYS N N 15 119.91 0.1 . . . . . . . 302 CYS N . 26742 1 504 . 1 1 129 129 TYR H H 1 9.17 0.05 . . . . . . . 303 TYR H . 26742 1 505 . 1 1 129 129 TYR C C 13 173.45 0.5 . . . . . . . 303 TYR C . 26742 1 506 . 1 1 129 129 TYR CA C 13 54.68 0.5 . . . . . . . 303 TYR CA . 26742 1 507 . 1 1 129 129 TYR CB C 13 33.9 0.5 . . . . . . . 303 TYR CB . 26742 1 508 . 1 1 129 129 TYR N N 15 129.69 0.1 . . . . . . . 303 TYR N . 26742 1 509 . 1 1 130 130 PRO C C 13 173.95 0.5 . . . . . . . 304 PRO C . 26742 1 510 . 1 1 130 130 PRO CA C 13 60.48 0.5 . . . . . . . 304 PRO CA . 26742 1 511 . 1 1 130 130 PRO CB C 13 26.78 0.5 . . . . . . . 304 PRO CB . 26742 1 512 . 1 1 131 131 GLY H H 1 8.09 0.05 . . . . . . . 305 GLY H . 26742 1 513 . 1 1 131 131 GLY C C 13 171.41 0.5 . . . . . . . 305 GLY C . 26742 1 514 . 1 1 131 131 GLY CA C 13 42.55 0.5 . . . . . . . 305 GLY CA . 26742 1 515 . 1 1 131 131 GLY N N 15 107.29 0.1 . . . . . . . 305 GLY N . 26742 1 516 . 1 1 132 132 ASN H H 1 8.75 0.05 . . . . . . . 306 ASN H . 26742 1 517 . 1 1 132 132 ASN C C 13 172.58 0.5 . . . . . . . 306 ASN C . 26742 1 518 . 1 1 132 132 ASN CA C 13 50.46 0.5 . . . . . . . 306 ASN CA . 26742 1 519 . 1 1 132 132 ASN CB C 13 34.6 0.5 . . . . . . . 306 ASN CB . 26742 1 520 . 1 1 132 132 ASN N N 15 117.12 0.1 . . . . . . . 306 ASN N . 26742 1 521 . 1 1 133 133 GLY H H 1 8.18 0.05 . . . . . . . 307 GLY H . 26742 1 522 . 1 1 133 133 GLY C C 13 171.55 0.5 . . . . . . . 307 GLY C . 26742 1 523 . 1 1 133 133 GLY CA C 13 43.29 0.5 . . . . . . . 307 GLY CA . 26742 1 524 . 1 1 133 133 GLY N N 15 105.82 0.1 . . . . . . . 307 GLY N . 26742 1 525 . 1 1 134 134 THR H H 1 7.41 0.05 . . . . . . . 308 THR H . 26742 1 526 . 1 1 134 134 THR C C 13 171.55 0.5 . . . . . . . 308 THR C . 26742 1 527 . 1 1 134 134 THR CA C 13 58.23 0.5 . . . . . . . 308 THR CA . 26742 1 528 . 1 1 134 134 THR CB C 13 68.82 0.5 . . . . . . . 308 THR CB . 26742 1 529 . 1 1 134 134 THR N N 15 110.62 0.1 . . . . . . . 308 THR N . 26742 1 530 . 1 1 135 135 GLY H H 1 8.17 0.05 . . . . . . . 309 GLY H . 26742 1 531 . 1 1 135 135 GLY C C 13 169.12 0.5 . . . . . . . 309 GLY C . 26742 1 532 . 1 1 135 135 GLY CA C 13 42.28 0.5 . . . . . . . 309 GLY CA . 26742 1 533 . 1 1 135 135 GLY N N 15 107.37 0.1 . . . . . . . 309 GLY N . 26742 1 534 . 1 1 136 136 TYR H H 1 9.152 0.05 . . . . . . . 310 TYR H . 26742 1 535 . 1 1 136 136 TYR CA C 13 53.064 0.5 . . . . . . . 310 TYR CA . 26742 1 536 . 1 1 136 136 TYR N N 15 128.463 0.1 . . . . . . . 310 TYR N . 26742 1 537 . 1 1 137 137 VAL C C 13 173.51 0.5 . . . . . . . 311 VAL C . 26742 1 538 . 1 1 137 137 VAL CA C 13 59.2 0.5 . . . . . . . 311 VAL CA . 26742 1 539 . 1 1 137 137 VAL CB C 13 29.39 0.5 . . . . . . . 311 VAL CB . 26742 1 540 . 1 1 138 138 ARG H H 1 8.14 0.05 . . . . . . . 312 ARG H . 26742 1 541 . 1 1 138 138 ARG C C 13 172.52 0.5 . . . . . . . 312 ARG C . 26742 1 542 . 1 1 138 138 ARG CA C 13 53.72 0.5 . . . . . . . 312 ARG CA . 26742 1 543 . 1 1 138 138 ARG CB C 13 26.33 0.5 . . . . . . . 312 ARG CB . 26742 1 544 . 1 1 138 138 ARG N N 15 120.35 0.1 . . . . . . . 312 ARG N . 26742 1 545 . 1 1 139 139 HIS H H 1 8.8 0.05 . . . . . . . 313 HIS H . 26742 1 546 . 1 1 139 139 HIS C C 13 168.69 0.5 . . . . . . . 313 HIS C . 26742 1 547 . 1 1 139 139 HIS CA C 13 52.37 0.5 . . . . . . . 313 HIS CA . 26742 1 548 . 1 1 139 139 HIS CB C 13 28.35 0.5 . . . . . . . 313 HIS CB . 26742 1 549 . 1 1 139 139 HIS N N 15 121.48 0.1 . . . . . . . 313 HIS N . 26742 1 550 . 1 1 140 140 VAL H H 1 8.34 0.05 . . . . . . . 314 VAL H . 26742 1 551 . 1 1 140 140 VAL C C 13 174.19 0.5 . . . . . . . 314 VAL C . 26742 1 552 . 1 1 140 140 VAL CA C 13 56.76 0.5 . . . . . . . 314 VAL CA . 26742 1 553 . 1 1 140 140 VAL CB C 13 31.81 0.5 . . . . . . . 314 VAL CB . 26742 1 554 . 1 1 140 140 VAL N N 15 116.86 0.1 . . . . . . . 314 VAL N . 26742 1 555 . 1 1 141 141 ASP H H 1 9.16 0.05 . . . . . . . 315 ASP H . 26742 1 556 . 1 1 141 141 ASP C C 13 171.26 0.5 . . . . . . . 315 ASP C . 26742 1 557 . 1 1 141 141 ASP CA C 13 55.04 0.5 . . . . . . . 315 ASP CA . 26742 1 558 . 1 1 141 141 ASP CB C 13 37.11 0.5 . . . . . . . 315 ASP CB . 26742 1 559 . 1 1 141 141 ASP N N 15 128.51 0.1 . . . . . . . 315 ASP N . 26742 1 560 . 1 1 142 142 ASN H H 1 7.3 0.05 . . . . . . . 316 ASN H . 26742 1 561 . 1 1 142 142 ASN C C 13 171.7 0.5 . . . . . . . 316 ASN C . 26742 1 562 . 1 1 142 142 ASN CA C 13 45.92 0.5 . . . . . . . 316 ASN CA . 26742 1 563 . 1 1 142 142 ASN CB C 13 36.5 0.5 . . . . . . . 316 ASN CB . 26742 1 564 . 1 1 142 142 ASN N N 15 106.36 0.1 . . . . . . . 316 ASN N . 26742 1 565 . 1 1 144 144 ASN C C 13 172.26 0.5 . . . . . . . 318 ASN C . 26742 1 566 . 1 1 144 144 ASN CA C 13 49.89 0.5 . . . . . . . 318 ASN CA . 26742 1 567 . 1 1 144 144 ASN CB C 13 36.56 0.5 . . . . . . . 318 ASN CB . 26742 1 568 . 1 1 145 145 GLY H H 1 8.33 0.05 . . . . . . . 319 GLY H . 26742 1 569 . 1 1 145 145 GLY C C 13 172.65 0.5 . . . . . . . 319 GLY C . 26742 1 570 . 1 1 145 145 GLY CA C 13 44.54 0.5 . . . . . . . 319 GLY CA . 26742 1 571 . 1 1 145 145 GLY N N 15 112.58 0.1 . . . . . . . 319 GLY N . 26742 1 572 . 1 1 146 146 ASP H H 1 8.98 0.05 . . . . . . . 320 ASP H . 26742 1 573 . 1 1 146 146 ASP CA C 13 50.77 0.5 . . . . . . . 320 ASP CA . 26742 1 574 . 1 1 146 146 ASP CB C 13 37.52 0.5 . . . . . . . 320 ASP CB . 26742 1 575 . 1 1 146 146 ASP N N 15 119.32 0.1 . . . . . . . 320 ASP N . 26742 1 576 . 1 1 147 147 GLY H H 1 9.34 0.05 . . . . . . . 321 GLY H . 26742 1 577 . 1 1 147 147 GLY CA C 13 41.73 0.5 . . . . . . . 321 GLY CA . 26742 1 578 . 1 1 147 147 GLY N N 15 106.72 0.1 . . . . . . . 321 GLY N . 26742 1 579 . 1 1 148 148 ARG C C 13 173.53 0.5 . . . . . . . 322 ARG C . 26742 1 580 . 1 1 148 148 ARG CA C 13 55.63 0.5 . . . . . . . 322 ARG CA . 26742 1 581 . 1 1 148 148 ARG CB C 13 29.05 0.5 . . . . . . . 322 ARG CB . 26742 1 582 . 1 1 149 149 CYS H H 1 9.8 0.05 . . . . . . . 323 CYS H . 26742 1 583 . 1 1 149 149 CYS C C 13 172.33 0.5 . . . . . . . 323 CYS C . 26742 1 584 . 1 1 149 149 CYS CA C 13 53.73 0.5 . . . . . . . 323 CYS CA . 26742 1 585 . 1 1 149 149 CYS CB C 13 26.09 0.5 . . . . . . . 323 CYS CB . 26742 1 586 . 1 1 149 149 CYS N N 15 121.08 0.1 . . . . . . . 323 CYS N . 26742 1 587 . 1 1 150 150 VAL H H 1 7.46 0.05 . . . . . . . 324 VAL H . 26742 1 588 . 1 1 150 150 VAL CA C 13 59.49 0.5 . . . . . . . 324 VAL CA . 26742 1 589 . 1 1 150 150 VAL CB C 13 33.66 0.5 . . . . . . . 324 VAL CB . 26742 1 590 . 1 1 150 150 VAL N N 15 125.21 0.1 . . . . . . . 324 VAL N . 26742 1 591 . 1 1 151 151 THR H H 1 8.96 0.05 . . . . . . . 325 THR H . 26742 1 592 . 1 1 151 151 THR CA C 13 58.7 0.5 . . . . . . . 325 THR CA . 26742 1 593 . 1 1 151 151 THR N N 15 124.85 0.1 . . . . . . . 325 THR N . 26742 1 594 . 1 1 155 155 TYR C C 13 174.12 0.5 . . . . . . . 329 TYR C . 26742 1 595 . 1 1 155 155 TYR CA C 13 55.68 0.5 . . . . . . . 329 TYR CA . 26742 1 596 . 1 1 155 155 TYR CB C 13 37.82 0.5 . . . . . . . 329 TYR CB . 26742 1 597 . 1 1 156 156 LEU H H 1 6.02 0.05 . . . . . . . 330 LEU H . 26742 1 598 . 1 1 156 156 LEU C C 13 173.5 0.5 . . . . . . . 330 LEU C . 26742 1 599 . 1 1 156 156 LEU CA C 13 51.7 0.5 . . . . . . . 330 LEU CA . 26742 1 600 . 1 1 156 156 LEU CB C 13 40.27 0.5 . . . . . . . 330 LEU CB . 26742 1 601 . 1 1 156 156 LEU N N 15 113.64 0.1 . . . . . . . 330 LEU N . 26742 1 602 . 1 1 157 157 ASN H H 1 6.6 0.05 . . . . . . . 331 ASN H . 26742 1 603 . 1 1 157 157 ASN C C 13 170.63 0.5 . . . . . . . 331 ASN C . 26742 1 604 . 1 1 157 157 ASN CA C 13 40.59 0.5 . . . . . . . 331 ASN CA . 26742 1 605 . 1 1 157 157 ASN CB C 13 36.06 0.5 . . . . . . . 331 ASN CB . 26742 1 606 . 1 1 157 157 ASN N N 15 115.57 0.1 . . . . . . . 331 ASN N . 26742 1 607 . 1 1 158 158 LYS H H 1 9.07 0.05 . . . . . . . 332 LYS H . 26742 1 608 . 1 1 158 158 LYS C C 13 173.61 0.5 . . . . . . . 332 LYS C . 26742 1 609 . 1 1 158 158 LYS CA C 13 54.87 0.5 . . . . . . . 332 LYS CA . 26742 1 610 . 1 1 158 158 LYS CB C 13 29.23 0.5 . . . . . . . 332 LYS CB . 26742 1 611 . 1 1 158 158 LYS N N 15 129.64 0.1 . . . . . . . 332 LYS N . 26742 1 612 . 1 1 159 159 ASP H H 1 9.04 0.05 . . . . . . . 333 ASP H . 26742 1 613 . 1 1 159 159 ASP C C 13 172.16 0.5 . . . . . . . 333 ASP C . 26742 1 614 . 1 1 159 159 ASP CA C 13 52.27 0.5 . . . . . . . 333 ASP CA . 26742 1 615 . 1 1 159 159 ASP CB C 13 36.07 0.5 . . . . . . . 333 ASP CB . 26742 1 616 . 1 1 159 159 ASP N N 15 121.81 0.1 . . . . . . . 333 ASP N . 26742 1 617 . 1 1 160 160 TRP H H 1 7.67 0.05 . . . . . . . 334 TRP H . 26742 1 618 . 1 1 160 160 TRP C C 13 173.18 0.5 . . . . . . . 334 TRP C . 26742 1 619 . 1 1 160 160 TRP CA C 13 55.65 0.5 . . . . . . . 334 TRP CA . 26742 1 620 . 1 1 160 160 TRP CB C 13 25.88 0.5 . . . . . . . 334 TRP CB . 26742 1 621 . 1 1 160 160 TRP N N 15 119.22 0.1 . . . . . . . 334 TRP N . 26742 1 622 . 1 1 161 161 ASP H H 1 8.15 0.05 . . . . . . . 335 ASP H . 26742 1 623 . 1 1 161 161 ASP C C 13 173.63 0.5 . . . . . . . 335 ASP C . 26742 1 624 . 1 1 161 161 ASP CA C 13 48.8 0.5 . . . . . . . 335 ASP CA . 26742 1 625 . 1 1 161 161 ASP N N 15 129.13 0.1 . . . . . . . 335 ASP N . 26742 1 626 . 1 1 162 162 ALA C C 13 177.01 0.5 . . . . . . . 336 ALA C . 26742 1 627 . 1 1 162 162 ALA CA C 13 51.36 0.5 . . . . . . . 336 ALA CA . 26742 1 628 . 1 1 162 162 ALA CB C 13 15.66 0.5 . . . . . . . 336 ALA CB . 26742 1 629 . 1 1 163 163 LYS H H 1 8.29 0.05 . . . . . . . 337 LYS H . 26742 1 630 . 1 1 163 163 LYS C C 13 175.06 0.5 . . . . . . . 337 LYS C . 26742 1 631 . 1 1 163 163 LYS CA C 13 56.1 0.5 . . . . . . . 337 LYS CA . 26742 1 632 . 1 1 163 163 LYS CB C 13 28.06 0.5 . . . . . . . 337 LYS CB . 26742 1 633 . 1 1 163 163 LYS N N 15 117.96 0.1 . . . . . . . 337 LYS N . 26742 1 634 . 1 1 164 164 VAL H H 1 6.96 0.05 . . . . . . . 338 VAL H . 26742 1 635 . 1 1 164 164 VAL CA C 13 60.05 0.5 . . . . . . . 338 VAL CA . 26742 1 636 . 1 1 164 164 VAL CB C 13 29.98 0.5 . . . . . . . 338 VAL CB . 26742 1 637 . 1 1 164 164 VAL N N 15 113.51 0.1 . . . . . . . 338 VAL N . 26742 1 638 . 1 1 165 165 SER H H 1 8.33 0.05 . . . . . . . 339 SER H . 26742 1 639 . 1 1 165 165 SER C C 13 171.93 0.5 . . . . . . . 339 SER C . 26742 1 640 . 1 1 165 165 SER CA C 13 56.31 0.5 . . . . . . . 339 SER CA . 26742 1 641 . 1 1 165 165 SER CB C 13 59.42 0.5 . . . . . . . 339 SER CB . 26742 1 642 . 1 1 165 165 SER N N 15 113.6 0.1 . . . . . . . 339 SER N . 26742 1 643 . 1 1 166 166 GLY H H 1 8.25 0.05 . . . . . . . 340 GLY H . 26742 1 644 . 1 1 166 166 GLY C C 13 172.82 0.5 . . . . . . . 340 GLY C . 26742 1 645 . 1 1 166 166 GLY CA C 13 42.93 0.5 . . . . . . . 340 GLY CA . 26742 1 646 . 1 1 166 166 GLY N N 15 111.74 0.1 . . . . . . . 340 GLY N . 26742 1 647 . 1 1 167 167 GLY H H 1 7.88 0.05 . . . . . . . 341 GLY H . 26742 1 648 . 1 1 167 167 GLY C C 13 171.44 0.5 . . . . . . . 341 GLY C . 26742 1 649 . 1 1 167 167 GLY CA C 13 44.11 0.5 . . . . . . . 341 GLY CA . 26742 1 650 . 1 1 167 167 GLY N N 15 108.36 0.1 . . . . . . . 341 GLY N . 26742 1 651 . 1 1 168 168 ILE H H 1 7.45 0.05 . . . . . . . 342 ILE H . 26742 1 652 . 1 1 168 168 ILE C C 13 172.29 0.5 . . . . . . . 342 ILE C . 26742 1 653 . 1 1 168 168 ILE CA C 13 58.84 0.5 . . . . . . . 342 ILE CA . 26742 1 654 . 1 1 168 168 ILE CB C 13 34.79 0.5 . . . . . . . 342 ILE CB . 26742 1 655 . 1 1 168 168 ILE N N 15 119.57 0.1 . . . . . . . 342 ILE N . 26742 1 656 . 1 1 169 169 LEU H H 1 7.81 0.05 . . . . . . . 343 LEU H . 26742 1 657 . 1 1 169 169 LEU C C 13 171 0.5 . . . . . . . 343 LEU C . 26742 1 658 . 1 1 169 169 LEU CA C 13 50.79 0.5 . . . . . . . 343 LEU CA . 26742 1 659 . 1 1 169 169 LEU CB C 13 37.98 0.5 . . . . . . . 343 LEU CB . 26742 1 660 . 1 1 169 169 LEU N N 15 126.93 0.1 . . . . . . . 343 LEU N . 26742 1 661 . 1 1 170 170 ARG H H 1 8.99 0.05 . . . . . . . 344 ARG H . 26742 1 662 . 1 1 170 170 ARG C C 13 171.88 0.5 . . . . . . . 344 ARG C . 26742 1 663 . 1 1 170 170 ARG CA C 13 51.3 0.5 . . . . . . . 344 ARG CA . 26742 1 664 . 1 1 170 170 ARG CB C 13 28.54 0.5 . . . . . . . 344 ARG CB . 26742 1 665 . 1 1 170 170 ARG N N 15 130.65 0.1 . . . . . . . 344 ARG N . 26742 1 666 . 1 1 171 171 ILE H H 1 8.95 0.05 . . . . . . . 345 ILE H . 26742 1 667 . 1 1 171 171 ILE C C 13 0 0.5 . . . . . . . 345 ILE C . 26742 1 668 . 1 1 171 171 ILE CA C 13 56.71 0.5 . . . . . . . 345 ILE CA . 26742 1 669 . 1 1 171 171 ILE CB C 13 36.57 0.5 . . . . . . . 345 ILE CB . 26742 1 670 . 1 1 171 171 ILE N N 15 125.87 0.1 . . . . . . . 345 ILE N . 26742 1 671 . 1 1 172 172 PHE H H 1 8.61 0.05 . . . . . . . 346 PHE H . 26742 1 672 . 1 1 172 172 PHE C C 13 170.18 0.5 . . . . . . . 346 PHE C . 26742 1 673 . 1 1 172 172 PHE CA C 13 51.24 0.5 . . . . . . . 346 PHE CA . 26742 1 674 . 1 1 172 172 PHE CB C 13 35.06 0.5 . . . . . . . 346 PHE CB . 26742 1 675 . 1 1 172 172 PHE N N 15 125.4 0.1 . . . . . . . 346 PHE N . 26742 1 676 . 1 1 173 173 PRO C C 13 176.87 0.5 . . . . . . . 347 PRO C . 26742 1 677 . 1 1 173 173 PRO CA C 13 60.43 0.5 . . . . . . . 347 PRO CA . 26742 1 678 . 1 1 173 173 PRO CB C 13 28.5 0.5 . . . . . . . 347 PRO CB . 26742 1 679 . 1 1 174 174 GLU H H 1 9.31 0.05 . . . . . . . 348 GLU H . 26742 1 680 . 1 1 174 174 GLU C C 13 175.2 0.5 . . . . . . . 348 GLU C . 26742 1 681 . 1 1 174 174 GLU CA C 13 55.11 0.5 . . . . . . . 348 GLU CA . 26742 1 682 . 1 1 174 174 GLU CB C 13 26.21 0.5 . . . . . . . 348 GLU CB . 26742 1 683 . 1 1 174 174 GLU N N 15 123.91 0.1 . . . . . . . 348 GLU N . 26742 1 684 . 1 1 175 175 GLY H H 1 8.98 0.05 . . . . . . . 349 GLY H . 26742 1 685 . 1 1 175 175 GLY C C 13 171.67 0.5 . . . . . . . 349 GLY C . 26742 1 686 . 1 1 175 175 GLY CA C 13 42.66 0.5 . . . . . . . 349 GLY CA . 26742 1 687 . 1 1 175 175 GLY N N 15 111.62 0.1 . . . . . . . 349 GLY N . 26742 1 688 . 1 1 176 176 LYS H H 1 7.71 0.05 . . . . . . . 350 LYS H . 26742 1 689 . 1 1 176 176 LYS C C 13 173.47 0.5 . . . . . . . 350 LYS C . 26742 1 690 . 1 1 176 176 LYS CA C 13 51.65 0.5 . . . . . . . 350 LYS CA . 26742 1 691 . 1 1 176 176 LYS CB C 13 29.91 0.5 . . . . . . . 350 LYS CB . 26742 1 692 . 1 1 176 176 LYS N N 15 118.98 0.1 . . . . . . . 350 LYS N . 26742 1 693 . 1 1 177 177 ALA H H 1 8.35 0.05 . . . . . . . 351 ALA H . 26742 1 694 . 1 1 177 177 ALA C C 13 174.97 0.5 . . . . . . . 351 ALA C . 26742 1 695 . 1 1 177 177 ALA CA C 13 50.11 0.5 . . . . . . . 351 ALA CA . 26742 1 696 . 1 1 177 177 ALA CB C 13 15.59 0.5 . . . . . . . 351 ALA CB . 26742 1 697 . 1 1 177 177 ALA N N 15 122.08 0.1 . . . . . . . 351 ALA N . 26742 1 698 . 1 1 178 178 GLN H H 1 7.46 0.05 . . . . . . . 352 GLN H . 26742 1 699 . 1 1 178 178 GLN C C 13 172.39 0.5 . . . . . . . 352 GLN C . 26742 1 700 . 1 1 178 178 GLN CA C 13 52.18 0.5 . . . . . . . 352 GLN CA . 26742 1 701 . 1 1 178 178 GLN CB C 13 26.76 0.5 . . . . . . . 352 GLN CB . 26742 1 702 . 1 1 178 178 GLN N N 15 115.57 0.1 . . . . . . . 352 GLN N . 26742 1 703 . 1 1 179 179 PHE H H 1 7.09 0.05 . . . . . . . 353 PHE H . 26742 1 704 . 1 1 179 179 PHE C C 13 171.67 0.5 . . . . . . . 353 PHE C . 26742 1 705 . 1 1 179 179 PHE CA C 13 51.99 0.5 . . . . . . . 353 PHE CA . 26742 1 706 . 1 1 179 179 PHE CB C 13 36.67 0.5 . . . . . . . 353 PHE CB . 26742 1 707 . 1 1 179 179 PHE N N 15 118.78 0.1 . . . . . . . 353 PHE N . 26742 1 708 . 1 1 180 180 ALA H H 1 9.1 0.05 . . . . . . . 354 ALA H . 26742 1 709 . 1 1 180 180 ALA CA C 13 47.97 0.5 . . . . . . . 354 ALA CA . 26742 1 710 . 1 1 180 180 ALA CB C 13 17.35 0.5 . . . . . . . 354 ALA CB . 26742 1 711 . 1 1 180 180 ALA N N 15 124.23 0.1 . . . . . . . 354 ALA N . 26742 1 712 . 1 1 181 181 ASP H H 1 8.29 0.05 . . . . . . . 355 ASP H . 26742 1 713 . 1 1 181 181 ASP C C 13 173.54 0.5 . . . . . . . 355 ASP C . 26742 1 714 . 1 1 181 181 ASP CA C 13 50.36 0.5 . . . . . . . 355 ASP CA . 26742 1 715 . 1 1 181 181 ASP CB C 13 38.45 0.5 . . . . . . . 355 ASP CB . 26742 1 716 . 1 1 181 181 ASP N N 15 123.21 0.1 . . . . . . . 355 ASP N . 26742 1 717 . 1 1 182 182 ILE H H 1 9.8 0.05 . . . . . . . 356 ILE H . 26742 1 718 . 1 1 182 182 ILE C C 13 172.61 0.5 . . . . . . . 356 ILE C . 26742 1 719 . 1 1 182 182 ILE CA C 13 55.66 0.5 . . . . . . . 356 ILE CA . 26742 1 720 . 1 1 182 182 ILE CB C 13 34.18 0.5 . . . . . . . 356 ILE CB . 26742 1 721 . 1 1 182 182 ILE N N 15 126.25 0.1 . . . . . . . 356 ILE N . 26742 1 722 . 1 1 183 183 GLU H H 1 8.44 0.05 . . . . . . . 357 GLU H . 26742 1 723 . 1 1 183 183 GLU C C 13 173.88 0.5 . . . . . . . 357 GLU C . 26742 1 724 . 1 1 183 183 GLU CA C 13 52.33 0.5 . . . . . . . 357 GLU CA . 26742 1 725 . 1 1 183 183 GLU CB C 13 25.79 0.5 . . . . . . . 357 GLU CB . 26742 1 726 . 1 1 183 183 GLU N N 15 125.54 0.1 . . . . . . . 357 GLU N . 26742 1 727 . 1 1 184 184 PRO C C 13 173.13 0.5 . . . . . . . 358 PRO C . 26742 1 728 . 1 1 184 184 PRO CA C 13 58.85 0.5 . . . . . . . 358 PRO CA . 26742 1 729 . 1 1 184 184 PRO CB C 13 25.06 0.5 . . . . . . . 358 PRO CB . 26742 1 730 . 1 1 185 185 LYS H H 1 7.57 0.05 . . . . . . . 359 LYS H . 26742 1 731 . 1 1 185 185 LYS C C 13 170.37 0.5 . . . . . . . 359 LYS C . 26742 1 732 . 1 1 185 185 LYS CA C 13 53.53 0.5 . . . . . . . 359 LYS CA . 26742 1 733 . 1 1 185 185 LYS CB C 13 31.02 0.5 . . . . . . . 359 LYS CB . 26742 1 734 . 1 1 185 185 LYS N N 15 122.22 0.1 . . . . . . . 359 LYS N . 26742 1 735 . 1 1 186 186 PHE H H 1 7.23 0.05 . . . . . . . 360 PHE H . 26742 1 736 . 1 1 186 186 PHE C C 13 172.7 0.5 . . . . . . . 360 PHE C . 26742 1 737 . 1 1 186 186 PHE CA C 13 56.15 0.5 . . . . . . . 360 PHE CA . 26742 1 738 . 1 1 186 186 PHE CB C 13 36.29 0.5 . . . . . . . 360 PHE CB . 26742 1 739 . 1 1 186 186 PHE N N 15 118.96 0.1 . . . . . . . 360 PHE N . 26742 1 740 . 1 1 187 187 ASP H H 1 7.78 0.05 . . . . . . . 361 ASP H . 26742 1 741 . 1 1 187 187 ASP C C 13 169.35 0.5 . . . . . . . 361 ASP C . 26742 1 742 . 1 1 187 187 ASP CA C 13 51.9 0.5 . . . . . . . 361 ASP CA . 26742 1 743 . 1 1 187 187 ASP CB C 13 37.37 0.5 . . . . . . . 361 ASP CB . 26742 1 744 . 1 1 187 187 ASP N N 15 125.51 0.1 . . . . . . . 361 ASP N . 26742 1 745 . 1 1 192 192 PHE C C 13 172.82 0.5 . . . . . . . 366 PHE C . 26742 1 746 . 1 1 192 192 PHE CA C 13 54.71 0.5 . . . . . . . 366 PHE CA . 26742 1 747 . 1 1 192 192 PHE CB C 13 37.19 0.5 . . . . . . . 366 PHE CB . 26742 1 748 . 1 1 193 193 TRP H H 1 7.27 0.05 . . . . . . . 367 TRP H . 26742 1 749 . 1 1 193 193 TRP C C 13 175.9 0.5 . . . . . . . 367 TRP C . 26742 1 750 . 1 1 193 193 TRP CA C 13 53.79 0.5 . . . . . . . 367 TRP CA . 26742 1 751 . 1 1 193 193 TRP CB C 13 27.82 0.5 . . . . . . . 367 TRP CB . 26742 1 752 . 1 1 193 193 TRP N N 15 117.56 0.1 . . . . . . . 367 TRP N . 26742 1 753 . 1 1 194 194 SER H H 1 7.74 0.05 . . . . . . . 368 SER H . 26742 1 754 . 1 1 194 194 SER C C 13 171.2 0.5 . . . . . . . 368 SER C . 26742 1 755 . 1 1 194 194 SER CA C 13 57.26 0.5 . . . . . . . 368 SER CA . 26742 1 756 . 1 1 194 194 SER CB C 13 61.2 0.5 . . . . . . . 368 SER CB . 26742 1 757 . 1 1 194 194 SER N N 15 114.22 0.1 . . . . . . . 368 SER N . 26742 1 758 . 1 1 195 195 ASP H H 1 7.89 0.05 . . . . . . . 369 ASP H . 26742 1 759 . 1 1 195 195 ASP C C 13 173.29 0.5 . . . . . . . 369 ASP C . 26742 1 760 . 1 1 195 195 ASP CA C 13 50.04 0.5 . . . . . . . 369 ASP CA . 26742 1 761 . 1 1 195 195 ASP CB C 13 36.75 0.5 . . . . . . . 369 ASP CB . 26742 1 762 . 1 1 195 195 ASP N N 15 119.28 0.1 . . . . . . . 369 ASP N . 26742 1 763 . 1 1 196 196 ARG H H 1 7.73 0.05 . . . . . . . 370 ARG H . 26742 1 764 . 1 1 196 196 ARG C C 13 173.56 0.5 . . . . . . . 370 ARG C . 26742 1 765 . 1 1 196 196 ARG CA C 13 54.98 0.5 . . . . . . . 370 ARG CA . 26742 1 766 . 1 1 196 196 ARG CB C 13 26.19 0.5 . . . . . . . 370 ARG CB . 26742 1 767 . 1 1 196 196 ARG N N 15 110.8 0.1 . . . . . . . 370 ARG N . 26742 1 768 . 1 1 197 197 ARG H H 1 8.41 0.05 . . . . . . . 371 ARG H . 26742 1 769 . 1 1 197 197 ARG C C 13 173.35 0.5 . . . . . . . 371 ARG C . 26742 1 770 . 1 1 197 197 ARG CA C 13 56.56 0.5 . . . . . . . 371 ARG CA . 26742 1 771 . 1 1 197 197 ARG CB C 13 28.25 0.5 . . . . . . . 371 ARG CB . 26742 1 772 . 1 1 197 197 ARG N N 15 118.78 0.1 . . . . . . . 371 ARG N . 26742 1 773 . 1 1 198 198 ASN H H 1 7.55 0.05 . . . . . . . 372 ASN H . 26742 1 774 . 1 1 198 198 ASN C C 13 171.05 0.5 . . . . . . . 372 ASN C . 26742 1 775 . 1 1 198 198 ASN CA C 13 47.86 0.5 . . . . . . . 372 ASN CA . 26742 1 776 . 1 1 198 198 ASN CB C 13 37.56 0.5 . . . . . . . 372 ASN CB . 26742 1 777 . 1 1 198 198 ASN N N 15 110.75 0.1 . . . . . . . 372 ASN N . 26742 1 778 . 1 1 199 199 PRO C C 13 173.36 0.5 . . . . . . . 373 PRO C . 26742 1 779 . 1 1 199 199 PRO CA C 13 61.01 0.5 . . . . . . . 373 PRO CA . 26742 1 780 . 1 1 199 199 PRO CB C 13 27.68 0.5 . . . . . . . 373 PRO CB . 26742 1 781 . 1 1 200 200 HIS H H 1 9.06 0.05 . . . . . . . 374 HIS H . 26742 1 782 . 1 1 200 200 HIS C C 13 168.53 0.5 . . . . . . . 374 HIS C . 26742 1 783 . 1 1 200 200 HIS CA C 13 52.25 0.5 . . . . . . . 374 HIS CA . 26742 1 784 . 1 1 200 200 HIS CB C 13 28.25 0.5 . . . . . . . 374 HIS CB . 26742 1 785 . 1 1 200 200 HIS N N 15 118.14 0.1 . . . . . . . 374 HIS N . 26742 1 786 . 1 1 201 201 GLU H H 1 9.18 0.05 . . . . . . . 375 GLU H . 26742 1 787 . 1 1 201 201 GLU C C 13 171.23 0.5 . . . . . . . 375 GLU C . 26742 1 788 . 1 1 201 201 GLU CA C 13 50.25 0.5 . . . . . . . 375 GLU CA . 26742 1 789 . 1 1 201 201 GLU CB C 13 30.81 0.5 . . . . . . . 375 GLU CB . 26742 1 790 . 1 1 201 201 GLU N N 15 116.57 0.1 . . . . . . . 375 GLU N . 26742 1 791 . 1 1 202 202 VAL H H 1 9.33 0.05 . . . . . . . 376 VAL H . 26742 1 792 . 1 1 202 202 VAL C C 13 174.48 0.5 . . . . . . . 376 VAL C . 26742 1 793 . 1 1 202 202 VAL CA C 13 59.28 0.5 . . . . . . . 376 VAL CA . 26742 1 794 . 1 1 202 202 VAL CB C 13 28.26 0.5 . . . . . . . 376 VAL CB . 26742 1 795 . 1 1 202 202 VAL N N 15 123.09 0.1 . . . . . . . 376 VAL N . 26742 1 796 . 1 1 203 203 GLN H H 1 8.8 0.05 . . . . . . . 377 GLN H . 26742 1 797 . 1 1 203 203 GLN C C 13 169.13 0.5 . . . . . . . 377 GLN C . 26742 1 798 . 1 1 203 203 GLN CA C 13 52.39 0.5 . . . . . . . 377 GLN CA . 26742 1 799 . 1 1 203 203 GLN CB C 13 23.03 0.5 . . . . . . . 377 GLN CB . 26742 1 800 . 1 1 203 203 GLN N N 15 127.7 0.1 . . . . . . . 377 GLN N . 26742 1 801 . 1 1 206 206 TYR C C 13 171.09 0.5 . . . . . . . 380 TYR C . 26742 1 802 . 1 1 206 206 TYR CA C 13 54.84 0.5 . . . . . . . 380 TYR CA . 26742 1 803 . 1 1 206 206 TYR CB C 13 34.94 0.5 . . . . . . . 380 TYR CB . 26742 1 804 . 1 1 207 207 ALA H H 1 7.79 0.05 . . . . . . . 381 ALA H . 26742 1 805 . 1 1 207 207 ALA C C 13 172.64 0.5 . . . . . . . 381 ALA C . 26742 1 806 . 1 1 207 207 ALA CA C 13 47.43 0.5 . . . . . . . 381 ALA CA . 26742 1 807 . 1 1 207 207 ALA CB C 13 18.56 0.5 . . . . . . . 381 ALA CB . 26742 1 808 . 1 1 207 207 ALA N N 15 121.55 0.1 . . . . . . . 381 ALA N . 26742 1 809 . 1 1 208 208 THR H H 1 8.24 0.05 . . . . . . . 382 THR H . 26742 1 810 . 1 1 208 208 THR C C 13 170.58 0.5 . . . . . . . 382 THR C . 26742 1 811 . 1 1 208 208 THR CA C 13 61.73 0.5 . . . . . . . 382 THR CA . 26742 1 812 . 1 1 208 208 THR CB C 13 65.32 0.5 . . . . . . . 382 THR CB . 26742 1 813 . 1 1 208 208 THR N N 15 115.68 0.1 . . . . . . . 382 THR N . 26742 1 814 . 1 1 209 209 ARG H H 1 8.49 0.05 . . . . . . . 383 ARG H . 26742 1 815 . 1 1 209 209 ARG C C 13 172.26 0.5 . . . . . . . 383 ARG C . 26742 1 816 . 1 1 209 209 ARG CA C 13 51.18 0.5 . . . . . . . 383 ARG CA . 26742 1 817 . 1 1 209 209 ARG CB C 13 31.37 0.5 . . . . . . . 383 ARG CB . 26742 1 818 . 1 1 209 209 ARG N N 15 130.26 0.1 . . . . . . . 383 ARG N . 26742 1 819 . 1 1 210 210 TYR H H 1 9.88 0.05 . . . . . . . 384 TYR H . 26742 1 820 . 1 1 210 210 TYR C C 13 173.94 0.5 . . . . . . . 384 TYR C . 26742 1 821 . 1 1 210 210 TYR CA C 13 54.3 0.5 . . . . . . . 384 TYR CA . 26742 1 822 . 1 1 210 210 TYR CB C 13 41.07 0.5 . . . . . . . 384 TYR CB . 26742 1 823 . 1 1 210 210 TYR N N 15 126.85 0.1 . . . . . . . 384 TYR N . 26742 1 824 . 1 1 211 211 ALA H H 1 8.7 0.05 . . . . . . . 385 ALA H . 26742 1 825 . 1 1 211 211 ALA C C 13 172.61 0.5 . . . . . . . 385 ALA C . 26742 1 826 . 1 1 211 211 ALA CA C 13 49.34 0.5 . . . . . . . 385 ALA CA . 26742 1 827 . 1 1 211 211 ALA CB C 13 19.43 0.5 . . . . . . . 385 ALA CB . 26742 1 828 . 1 1 211 211 ALA N N 15 121.86 0.1 . . . . . . . 385 ALA N . 26742 1 829 . 1 1 217 217 PHE C C 13 173.14 0.5 . . . . . . . 391 PHE C . 26742 1 830 . 1 1 217 217 PHE CA C 13 52.73 0.5 . . . . . . . 391 PHE CA . 26742 1 831 . 1 1 218 218 ASP H H 1 8.51 0.05 . . . . . . . 392 ASP H . 26742 1 832 . 1 1 218 218 ASP C C 13 173.85 0.5 . . . . . . . 392 ASP C . 26742 1 833 . 1 1 218 218 ASP CA C 13 50.02 0.5 . . . . . . . 392 ASP CA . 26742 1 834 . 1 1 218 218 ASP CB C 13 41.55 0.5 . . . . . . . 392 ASP CB . 26742 1 835 . 1 1 218 218 ASP N N 15 119.39 0.1 . . . . . . . 392 ASP N . 26742 1 836 . 1 1 219 219 ALA H H 1 9.48 0.05 . . . . . . . 393 ALA H . 26742 1 837 . 1 1 219 219 ALA C C 13 178.13 0.5 . . . . . . . 393 ALA C . 26742 1 838 . 1 1 219 219 ALA CA C 13 52.45 0.5 . . . . . . . 393 ALA CA . 26742 1 839 . 1 1 219 219 ALA CB C 13 16.3 0.5 . . . . . . . 393 ALA CB . 26742 1 840 . 1 1 219 219 ALA N N 15 128.48 0.1 . . . . . . . 393 ALA N . 26742 1 841 . 1 1 220 220 ASP H H 1 8.31 0.05 . . . . . . . 394 ASP H . 26742 1 842 . 1 1 220 220 ASP C C 13 175.84 0.5 . . . . . . . 394 ASP C . 26742 1 843 . 1 1 220 220 ASP CA C 13 54.1 0.5 . . . . . . . 394 ASP CA . 26742 1 844 . 1 1 220 220 ASP CB C 13 37.43 0.5 . . . . . . . 394 ASP CB . 26742 1 845 . 1 1 220 220 ASP N N 15 117.79 0.1 . . . . . . . 394 ASP N . 26742 1 846 . 1 1 221 221 GLU H H 1 8.95 0.05 . . . . . . . 395 GLU H . 26742 1 847 . 1 1 221 221 GLU C C 13 176.36 0.5 . . . . . . . 395 GLU C . 26742 1 848 . 1 1 221 221 GLU CA C 13 56.95 0.5 . . . . . . . 395 GLU CA . 26742 1 849 . 1 1 221 221 GLU CB C 13 27.36 0.5 . . . . . . . 395 GLU CB . 26742 1 850 . 1 1 221 221 GLU N N 15 121.93 0.1 . . . . . . . 395 GLU N . 26742 1 851 . 1 1 222 222 ARG H H 1 8.87 0.05 . . . . . . . 396 ARG H . 26742 1 852 . 1 1 222 222 ARG C C 13 174.3 0.5 . . . . . . . 396 ARG C . 26742 1 853 . 1 1 222 222 ARG CA C 13 53.93 0.5 . . . . . . . 396 ARG CA . 26742 1 854 . 1 1 222 222 ARG N N 15 117.89 0.1 . . . . . . . 396 ARG N . 26742 1 855 . 1 1 223 223 ALA H H 1 7.51 0.05 . . . . . . . 397 ALA H . 26742 1 856 . 1 1 223 223 ALA C C 13 176.79 0.5 . . . . . . . 397 ALA C . 26742 1 857 . 1 1 223 223 ALA CA C 13 51.9 0.5 . . . . . . . 397 ALA CA . 26742 1 858 . 1 1 223 223 ALA CB C 13 14.53 0.5 . . . . . . . 397 ALA CB . 26742 1 859 . 1 1 223 223 ALA N N 15 118.35 0.1 . . . . . . . 397 ALA N . 26742 1 860 . 1 1 224 224 ARG H H 1 7.55 0.05 . . . . . . . 398 ARG H . 26742 1 861 . 1 1 224 224 ARG C C 13 175.59 0.5 . . . . . . . 398 ARG C . 26742 1 862 . 1 1 224 224 ARG CA C 13 55.43 0.5 . . . . . . . 398 ARG CA . 26742 1 863 . 1 1 224 224 ARG CB C 13 26.63 0.5 . . . . . . . 398 ARG CB . 26742 1 864 . 1 1 224 224 ARG N N 15 116.67 0.1 . . . . . . . 398 ARG N . 26742 1 865 . 1 1 225 225 ALA H H 1 7.78 0.05 . . . . . . . 399 ALA H . 26742 1 866 . 1 1 225 225 ALA CA C 13 50.79 0.5 . . . . . . . 399 ALA CA . 26742 1 867 . 1 1 225 225 ALA CB C 13 15.28 0.5 . . . . . . . 399 ALA CB . 26742 1 868 . 1 1 225 225 ALA N N 15 121.17 0.1 . . . . . . . 399 ALA N . 26742 1 869 . 1 1 226 226 LYS H H 1 7.24 0.05 . . . . . . . 400 LYS H . 26742 1 870 . 1 1 226 226 LYS C C 13 174.01 0.5 . . . . . . . 400 LYS C . 26742 1 871 . 1 1 226 226 LYS CA C 13 53.94 0.5 . . . . . . . 400 LYS CA . 26742 1 872 . 1 1 226 226 LYS CB C 13 29.58 0.5 . . . . . . . 400 LYS CB . 26742 1 873 . 1 1 226 226 LYS N N 15 114.84 0.1 . . . . . . . 400 LYS N . 26742 1 874 . 1 1 227 227 VAL H H 1 7.37 0.05 . . . . . . . 401 VAL H . 26742 1 875 . 1 1 227 227 VAL C C 13 172.52 0.5 . . . . . . . 401 VAL C . 26742 1 876 . 1 1 227 227 VAL CA C 13 59.44 0.5 . . . . . . . 401 VAL CA . 26742 1 877 . 1 1 227 227 VAL CB C 13 28.65 0.5 . . . . . . . 401 VAL CB . 26742 1 878 . 1 1 227 227 VAL N N 15 117.92 0.1 . . . . . . . 401 VAL N . 26742 1 879 . 1 1 228 228 LYS H H 1 7.65 0.05 . . . . . . . 402 LYS H . 26742 1 880 . 1 1 228 228 LYS C C 13 178.52 0.5 . . . . . . . 402 LYS C . 26742 1 881 . 1 1 228 228 LYS CA C 13 54.71 0.5 . . . . . . . 402 LYS CA . 26742 1 882 . 1 1 228 228 LYS CB C 13 30.1 0.5 . . . . . . . 402 LYS CB . 26742 1 883 . 1 1 228 228 LYS N N 15 129.11 0.1 . . . . . . . 402 LYS N . 26742 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 26742 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 900 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 20000000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 8 '3D Heteronuclear NOE' . . . 26742 1 11 '2D 1H-15N HSQC' . . . 26742 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.2743 . . . . 182 ASN N . 182 ASN H 26742 1 2 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.2037 . . . . 183 GLY N . 183 GLY H 26742 1 3 . 1 1 10 10 GLN N N 15 . 1 1 10 10 GLN H H 1 0.172 . . . . 184 GLN N . 184 GLN H 26742 1 4 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.2396 . . . . 185 THR N . 185 THR H 26742 1 5 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.4211 . . . . 186 LYS N . 186 LYS H 26742 1 6 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.4572 . . . . 188 LEU N . 188 LEU H 26742 1 7 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.762 . . . . 190 ALA N . 190 ALA H 26742 1 8 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.7934 . . . . 191 LEU N . 191 LEU H 26742 1 9 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.7604 . . . . 192 LYS N . 192 LYS H 26742 1 10 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.8149 . . . . 193 LEU N . 193 LEU H 26742 1 11 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.896 . . . . 194 ALA N . 194 ALA H 26742 1 12 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.8442 . . . . 195 LEU N . 195 LEU H 26742 1 13 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.8392 . . . . 196 GLU N . 196 GLU H 26742 1 14 . 1 1 23 23 TYR N N 15 . 1 1 23 23 TYR H H 1 0.8563 . . . . 197 TYR N . 197 TYR H 26742 1 15 . 1 1 24 24 ILE N N 15 . 1 1 24 24 ILE H H 1 0.8463 . . . . 198 ILE N . 198 ILE H 26742 1 16 . 1 1 25 25 VAL N N 15 . 1 1 25 25 VAL H H 1 0.8395 . . . . 199 VAL N . 199 VAL H 26742 1 17 . 1 1 27 27 CYS N N 15 . 1 1 27 27 CYS H H 1 0.8753 . . . . 201 CYS N . 201 CYS H 26742 1 18 . 1 1 28 28 MET N N 15 . 1 1 28 28 MET H H 1 0.9014 . . . . 202 MET N . 202 MET H 26742 1 19 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.8716 . . . . 203 ASN N . 203 ASN H 26742 1 20 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.9219 . . . . 204 LYS N . 204 LYS H 26742 1 21 . 1 1 31 31 HIS N N 15 . 1 1 31 31 HIS H H 1 0.849 . . . . 205 HIS N . 205 HIS H 26742 1 22 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.8691 . . . . 206 GLY N . 206 GLY H 26742 1 23 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.8815 . . . . 207 ILE N . 207 ILE H 26742 1 24 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.8729 . . . . 209 VAL N . 209 VAL H 26742 1 25 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.9014 . . . . 212 ASP N . 212 ASP H 26742 1 26 . 1 1 39 39 PHE N N 15 . 1 1 39 39 PHE H H 1 0.9077 . . . . 213 PHE N . 213 PHE H 26742 1 27 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.7668 . . . . 215 GLY N . 215 GLY H 26742 1 28 . 1 1 42 42 LYS N N 15 . 1 1 42 42 LYS H H 1 0.8829 . . . . 216 LYS N . 216 LYS H 26742 1 29 . 1 1 43 43 GLU N N 15 . 1 1 43 43 GLU H H 1 0.7893 . . . . 217 GLU N . 217 GLU H 26742 1 30 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.8495 . . . . 218 THR N . 218 THR H 26742 1 31 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.8608 . . . . 219 GLY N . 219 GLY H 26742 1 32 . 1 1 46 46 GLN N N 15 . 1 1 46 46 GLN H H 1 0.8624 . . . . 220 GLN N . 220 GLN H 26742 1 33 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.8658 . . . . 221 GLN N . 221 GLN H 26742 1 34 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.8837 . . . . 222 ILE N . 222 ILE H 26742 1 35 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.8723 . . . . 223 GLY N . 223 GLY H 26742 1 36 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.8756 . . . . 224 ASP N . 224 ASP H 26742 1 37 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.8745 . . . . 225 GLU N . 225 GLU H 26742 1 38 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.8307 . . . . 226 VAL N . 226 VAL H 26742 1 39 . 1 1 53 53 ARG N N 15 . 1 1 53 53 ARG H H 1 0.889 . . . . 227 ARG N . 227 ARG H 26742 1 40 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.8762 . . . . 228 ALA N . 228 ALA H 26742 1 41 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.8658 . . . . 229 LEU N . 229 LEU H 26742 1 42 . 1 1 56 56 HIS N N 15 . 1 1 56 56 HIS H H 1 0.8511 . . . . 230 HIS N . 230 HIS H 26742 1 43 . 1 1 57 57 ASP N N 15 . 1 1 57 57 ASP H H 1 0.8815 . . . . 231 ASP N . 231 ASP H 26742 1 44 . 1 1 58 58 THR N N 15 . 1 1 58 58 THR H H 1 0.8179 . . . . 232 THR N . 232 THR H 26742 1 45 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.764 . . . . 233 GLY N . 233 GLY H 26742 1 46 . 1 1 60 60 LYS N N 15 . 1 1 60 60 LYS H H 1 0.7029 . . . . 234 LYS N . 234 LYS H 26742 1 47 . 1 1 61 61 PHE N N 15 . 1 1 61 61 PHE H H 1 0.767 . . . . 235 PHE N . 235 PHE H 26742 1 48 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.8208 . . . . 236 THR N . 236 THR H 26742 1 49 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.7486 . . . . 237 ASP N . 237 ASP H 26742 1 50 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.8039 . . . . 238 GLY N . 238 GLY H 26742 1 51 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.6529 . . . . 243 GLN N . 243 GLN H 26742 1 52 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.5714 . . . . 245 SER N . 245 SER H 26742 1 53 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.5951 . . . . 246 ASP N . 246 ASP H 26742 1 54 . 1 1 73 73 SER N N 15 . 1 1 73 73 SER H H 1 0.5464 . . . . 247 SER N . 247 SER H 26742 1 55 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.5783 . . . . 248 SER N . 248 SER H 26742 1 56 . 1 1 75 75 LYS N N 15 . 1 1 75 75 LYS H H 1 0.6813 . . . . 249 LYS N . 249 LYS H 26742 1 57 . 1 1 76 76 ASP N N 15 . 1 1 76 76 ASP H H 1 0.6918 . . . . 250 ASP N . 250 ASP H 26742 1 58 . 1 1 77 77 ILE N N 15 . 1 1 77 77 ILE H H 1 0.6919 . . . . 251 ILE N . 251 ILE H 26742 1 59 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.862 . . . . 252 ARG N . 252 ARG H 26742 1 60 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.9151 . . . . 253 GLY N . 253 GLY H 26742 1 61 . 1 1 80 80 ASP N N 15 . 1 1 80 80 ASP H H 1 0.9032 . . . . 254 ASP N . 254 ASP H 26742 1 62 . 1 1 81 81 LYS N N 15 . 1 1 81 81 LYS H H 1 0.9032 . . . . 255 LYS N . 255 LYS H 26742 1 63 . 1 1 82 82 ILE N N 15 . 1 1 82 82 ILE H H 1 0.8477 . . . . 256 ILE N . 256 ILE H 26742 1 64 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.8477 . . . . 257 THR N . 257 THR H 26742 1 65 . 1 1 84 84 TRP N N 15 . 1 1 84 84 TRP H H 1 0.883 . . . . 258 TRP N . 258 TRP H 26742 1 66 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.8376 . . . . 259 ILE N . 259 ILE H 26742 1 67 . 1 1 86 86 GLU N N 15 . 1 1 86 86 GLU H H 1 0.8771 . . . . 260 GLU N . 260 GLU H 26742 1 68 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.8972 . . . . 261 GLY N . 261 GLY H 26742 1 69 . 1 1 88 88 LYS N N 15 . 1 1 88 88 LYS H H 1 0.7492 . . . . 262 LYS N . 262 LYS H 26742 1 70 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 0.8673 . . . . 263 GLU N . 263 GLU H 26742 1 71 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.8275 . . . . 265 GLY N . 265 GLY H 26742 1 72 . 1 1 92 92 CYS N N 15 . 1 1 92 92 CYS H H 1 0.8682 . . . . 266 CYS N . 266 CYS H 26742 1 73 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.8895 . . . . 267 GLU N . 267 GLU H 26742 1 74 . 1 1 94 94 THR N N 15 . 1 1 94 94 THR H H 1 0.908 . . . . 268 THR N . 268 THR H 26742 1 75 . 1 1 95 95 ILE N N 15 . 1 1 95 95 ILE H H 1 0.8567 . . . . 269 ILE N . 269 ILE H 26742 1 76 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.873 . . . . 270 GLY N . 270 GLY H 26742 1 77 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.8699 . . . . 271 LEU N . 271 LEU H 26742 1 78 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.8792 . . . . 278 ASP N . 278 ASP H 26742 1 79 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.8554 . . . . 284 ASN N . 284 ASN H 26742 1 80 . 1 1 111 111 GLY N N 15 . 1 1 111 111 GLY H H 1 0.7455 . . . . 285 GLY N . 285 GLY H 26742 1 81 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8611 . . . . 286 LYS N . 286 LYS H 26742 1 82 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8011 . . . . 287 LEU N . 287 LEU H 26742 1 83 . 1 1 114 114 GLY N N 15 . 1 1 114 114 GLY H H 1 0.8101 . . . . 288 GLY N . 288 GLY H 26742 1 84 . 1 1 115 115 SER N N 15 . 1 1 115 115 SER H H 1 0.8132 . . . . 289 SER N . 289 SER H 26742 1 85 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.8469 . . . . 290 TYR N . 290 TYR H 26742 1 86 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.8162 . . . . 291 LYS N . 291 LYS H 26742 1 87 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.8443 . . . . 292 ILE N . 292 ILE H 26742 1 88 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.826 . . . . 294 GLY N . 294 GLY H 26742 1 89 . 1 1 121 121 ARG N N 15 . 1 1 121 121 ARG H H 1 0.892 . . . . 295 ARG N . 295 ARG H 26742 1 90 . 1 1 122 122 THR N N 15 . 1 1 122 122 THR H H 1 0.8432 . . . . 296 THR N . 296 THR H 26742 1 91 . 1 1 123 123 LYS N N 15 . 1 1 123 123 LYS H H 1 0.8989 . . . . 297 LYS N . 297 LYS H 26742 1 92 . 1 1 124 124 ALA N N 15 . 1 1 124 124 ALA H H 1 0.7868 . . . . 298 ALA N . 298 ALA H 26742 1 93 . 1 1 125 125 MET N N 15 . 1 1 125 125 MET H H 1 0.8352 . . . . 299 MET N . 299 MET H 26742 1 94 . 1 1 126 126 VAL N N 15 . 1 1 126 126 VAL H H 1 0.8724 . . . . 300 VAL N . 300 VAL H 26742 1 95 . 1 1 127 127 ALA N N 15 . 1 1 127 127 ALA H H 1 0.8834 . . . . 301 ALA N . 301 ALA H 26742 1 96 . 1 1 128 128 CYS N N 15 . 1 1 128 128 CYS H H 1 0.8749 . . . . 302 CYS N . 302 CYS H 26742 1 97 . 1 1 129 129 TYR N N 15 . 1 1 129 129 TYR H H 1 0.8235 . . . . 303 TYR N . 303 TYR H 26742 1 98 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.8117 . . . . 305 GLY N . 305 GLY H 26742 1 99 . 1 1 132 132 ASN N N 15 . 1 1 132 132 ASN H H 1 0.859 . . . . 306 ASN N . 306 ASN H 26742 1 100 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 0.8996 . . . . 307 GLY N . 307 GLY H 26742 1 101 . 1 1 134 134 THR N N 15 . 1 1 134 134 THR H H 1 0.9152 . . . . 308 THR N . 308 THR H 26742 1 102 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.8171 . . . . 309 GLY N . 309 GLY H 26742 1 103 . 1 1 136 136 TYR N N 15 . 1 1 136 136 TYR H H 1 0.9193 . . . . 310 TYR N . 310 TYR H 26742 1 104 . 1 1 138 138 ARG N N 15 . 1 1 138 138 ARG H H 1 0.8203 . . . . 312 ARG N . 312 ARG H 26742 1 105 . 1 1 139 139 HIS N N 15 . 1 1 139 139 HIS H H 1 0.8999 . . . . 313 HIS N . 313 HIS H 26742 1 106 . 1 1 140 140 VAL N N 15 . 1 1 140 140 VAL H H 1 0.8909 . . . . 314 VAL N . 314 VAL H 26742 1 107 . 1 1 141 141 ASP N N 15 . 1 1 141 141 ASP H H 1 0.9193 . . . . 315 ASP N . 315 ASP H 26742 1 108 . 1 1 142 142 ASN N N 15 . 1 1 142 142 ASN H H 1 0.9044 . . . . 316 ASN N . 316 ASN H 26742 1 109 . 1 1 145 145 GLY N N 15 . 1 1 145 145 GLY H H 1 0.757 . . . . 319 GLY N . 319 GLY H 26742 1 110 . 1 1 146 146 ASP N N 15 . 1 1 146 146 ASP H H 1 0.917 . . . . 320 ASP N . 320 ASP H 26742 1 111 . 1 1 147 147 GLY N N 15 . 1 1 147 147 GLY H H 1 0.9441 . . . . 321 GLY N . 321 GLY H 26742 1 112 . 1 1 149 149 CYS N N 15 . 1 1 149 149 CYS H H 1 0.8954 . . . . 323 CYS N . 323 CYS H 26742 1 113 . 1 1 150 150 VAL N N 15 . 1 1 150 150 VAL H H 1 0.9078 . . . . 324 VAL N . 324 VAL H 26742 1 114 . 1 1 151 151 THR N N 15 . 1 1 151 151 THR H H 1 0.8671 . . . . 325 THR N . 325 THR H 26742 1 115 . 1 1 156 156 LEU N N 15 . 1 1 156 156 LEU H H 1 0.8251 . . . . 330 LEU N . 330 LEU H 26742 1 116 . 1 1 157 157 ASN N N 15 . 1 1 157 157 ASN H H 1 0.8498 . . . . 331 ASN N . 331 ASN H 26742 1 117 . 1 1 158 158 LYS N N 15 . 1 1 158 158 LYS H H 1 0.8194 . . . . 332 LYS N . 332 LYS H 26742 1 118 . 1 1 159 159 ASP N N 15 . 1 1 159 159 ASP H H 1 0.7484 . . . . 333 ASP N . 333 ASP H 26742 1 119 . 1 1 160 160 TRP N N 15 . 1 1 160 160 TRP H H 1 0.7317 . . . . 334 TRP N . 334 TRP H 26742 1 120 . 1 1 161 161 ASP N N 15 . 1 1 161 161 ASP H H 1 0.8326 . . . . 335 ASP N . 335 ASP H 26742 1 121 . 1 1 163 163 LYS N N 15 . 1 1 163 163 LYS H H 1 0.8978 . . . . 337 LYS N . 337 LYS H 26742 1 122 . 1 1 164 164 VAL N N 15 . 1 1 164 164 VAL H H 1 0.8353 . . . . 338 VAL N . 338 VAL H 26742 1 123 . 1 1 165 165 SER N N 15 . 1 1 165 165 SER H H 1 0.8543 . . . . 339 SER N . 339 SER H 26742 1 124 . 1 1 166 166 GLY N N 15 . 1 1 166 166 GLY H H 1 0.9328 . . . . 340 GLY N . 340 GLY H 26742 1 125 . 1 1 167 167 GLY N N 15 . 1 1 167 167 GLY H H 1 0.8303 . . . . 341 GLY N . 341 GLY H 26742 1 126 . 1 1 168 168 ILE N N 15 . 1 1 168 168 ILE H H 1 0.989 . . . . 342 ILE N . 342 ILE H 26742 1 127 . 1 1 169 169 LEU N N 15 . 1 1 169 169 LEU H H 1 0.8739 . . . . 343 LEU N . 343 LEU H 26742 1 128 . 1 1 170 170 ARG N N 15 . 1 1 170 170 ARG H H 1 0.9248 . . . . 344 ARG N . 344 ARG H 26742 1 129 . 1 1 171 171 ILE N N 15 . 1 1 171 171 ILE H H 1 0.8759 . . . . 345 ILE N . 345 ILE H 26742 1 130 . 1 1 172 172 PHE N N 15 . 1 1 172 172 PHE H H 1 0.8692 . . . . 346 PHE N . 346 PHE H 26742 1 131 . 1 1 174 174 GLU N N 15 . 1 1 174 174 GLU H H 1 0.8229 . . . . 348 GLU N . 348 GLU H 26742 1 132 . 1 1 175 175 GLY N N 15 . 1 1 175 175 GLY H H 1 0.6807 . . . . 349 GLY N . 349 GLY H 26742 1 133 . 1 1 176 176 LYS N N 15 . 1 1 176 176 LYS H H 1 0.6819 . . . . 350 LYS N . 350 LYS H 26742 1 134 . 1 1 177 177 ALA N N 15 . 1 1 177 177 ALA H H 1 0.6529 . . . . 351 ALA N . 351 ALA H 26742 1 135 . 1 1 178 178 GLN N N 15 . 1 1 178 178 GLN H H 1 0.4647 . . . . 352 GLN N . 352 GLN H 26742 1 136 . 1 1 179 179 PHE N N 15 . 1 1 179 179 PHE H H 1 0.576 . . . . 353 PHE N . 353 PHE H 26742 1 137 . 1 1 180 180 ALA N N 15 . 1 1 180 180 ALA H H 1 0.8261 . . . . 354 ALA N . 354 ALA H 26742 1 138 . 1 1 181 181 ASP N N 15 . 1 1 181 181 ASP H H 1 0.9276 . . . . 355 ASP N . 355 ASP H 26742 1 139 . 1 1 182 182 ILE N N 15 . 1 1 182 182 ILE H H 1 0.8905 . . . . 356 ILE N . 356 ILE H 26742 1 140 . 1 1 185 185 LYS N N 15 . 1 1 185 185 LYS H H 1 0.8872 . . . . 359 LYS N . 359 LYS H 26742 1 141 . 1 1 186 186 PHE N N 15 . 1 1 186 186 PHE H H 1 0.8281 . . . . 360 PHE N . 360 PHE H 26742 1 142 . 1 1 187 187 ASP N N 15 . 1 1 187 187 ASP H H 1 0.8792 . . . . 361 ASP N . 361 ASP H 26742 1 143 . 1 1 193 193 TRP N N 15 . 1 1 193 193 TRP H H 1 0.8884 . . . . 367 TRP N . 367 TRP H 26742 1 144 . 1 1 194 194 SER N N 15 . 1 1 194 194 SER H H 1 0.8884 . . . . 368 SER N . 368 SER H 26742 1 145 . 1 1 195 195 ASP N N 15 . 1 1 195 195 ASP H H 1 0.8725 . . . . 369 ASP N . 369 ASP H 26742 1 146 . 1 1 196 196 ARG N N 15 . 1 1 196 196 ARG H H 1 0.8796 . . . . 370 ARG N . 370 ARG H 26742 1 147 . 1 1 197 197 ARG N N 15 . 1 1 197 197 ARG H H 1 0.883 . . . . 371 ARG N . 371 ARG H 26742 1 148 . 1 1 200 200 HIS N N 15 . 1 1 200 200 HIS H H 1 0.9123 . . . . 374 HIS N . 374 HIS H 26742 1 149 . 1 1 201 201 GLU N N 15 . 1 1 201 201 GLU H H 1 0.9022 . . . . 375 GLU N . 375 GLU H 26742 1 150 . 1 1 202 202 VAL N N 15 . 1 1 202 202 VAL H H 1 0.8281 . . . . 376 VAL N . 376 VAL H 26742 1 151 . 1 1 203 203 GLN N N 15 . 1 1 203 203 GLN H H 1 0.9098 . . . . 377 GLN N . 377 GLN H 26742 1 152 . 1 1 207 207 ALA N N 15 . 1 1 207 207 ALA H H 1 0.9021 . . . . 381 ALA N . 381 ALA H 26742 1 153 . 1 1 208 208 THR N N 15 . 1 1 208 208 THR H H 1 0.8932 . . . . 382 THR N . 382 THR H 26742 1 154 . 1 1 209 209 ARG N N 15 . 1 1 209 209 ARG H H 1 0.8652 . . . . 383 ARG N . 383 ARG H 26742 1 155 . 1 1 210 210 TYR N N 15 . 1 1 210 210 TYR H H 1 0.9541 . . . . 384 TYR N . 384 TYR H 26742 1 156 . 1 1 211 211 ALA N N 15 . 1 1 211 211 ALA H H 1 0.9003 . . . . 385 ALA N . 385 ALA H 26742 1 157 . 1 1 218 218 ASP N N 15 . 1 1 218 218 ASP H H 1 0.8968 . . . . 392 ASP N . 392 ASP H 26742 1 158 . 1 1 219 219 ALA N N 15 . 1 1 219 219 ALA H H 1 0.8294 . . . . 393 ALA N . 393 ALA H 26742 1 159 . 1 1 220 220 ASP N N 15 . 1 1 220 220 ASP H H 1 0.6801 . . . . 394 ASP N . 394 ASP H 26742 1 160 . 1 1 221 221 GLU N N 15 . 1 1 221 221 GLU H H 1 0.8654 . . . . 395 GLU N . 395 GLU H 26742 1 161 . 1 1 222 222 ARG N N 15 . 1 1 222 222 ARG H H 1 0.8851 . . . . 396 ARG N . 396 ARG H 26742 1 162 . 1 1 223 223 ALA N N 15 . 1 1 223 223 ALA H H 1 0.855 . . . . 397 ALA N . 397 ALA H 26742 1 163 . 1 1 224 224 ARG N N 15 . 1 1 224 224 ARG H H 1 0.8194 . . . . 398 ARG N . 398 ARG H 26742 1 164 . 1 1 225 225 ALA N N 15 . 1 1 225 225 ALA H H 1 0.7457 . . . . 399 ALA N . 399 ALA H 26742 1 165 . 1 1 226 226 LYS N N 15 . 1 1 226 226 LYS H H 1 0.6751 . . . . 400 LYS N . 400 LYS H 26742 1 166 . 1 1 227 227 VAL N N 15 . 1 1 227 227 VAL H H 1 0.5308 . . . . 401 VAL N . 401 VAL H 26742 1 167 . 1 1 228 228 LYS N N 15 . 1 1 228 228 LYS H H 1 0.284 . . . . 402 LYS N . 402 LYS H 26742 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 26742 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 900 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 9 '3D T1' . . . 26742 1 11 '2D 1H-15N HSQC' . . . 26742 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 8 8 ASN H H 1 1.05717 . . . 182 ASN H 26742 1 2 . 1 1 9 9 GLY H H 1 0.82476 . . . 183 GLY H 26742 1 3 . 1 1 10 10 GLN H H 1 0.80212 . . . 184 GLN H 26742 1 4 . 1 1 11 11 THR H H 1 0.9126 . . . 185 THR H 26742 1 5 . 1 1 12 12 LYS H H 1 1.05105 . . . 186 LYS H 26742 1 6 . 1 1 14 14 LEU H H 1 0.99992 . . . 188 LEU H 26742 1 7 . 1 1 16 16 ALA H H 1 1.23999 . . . 190 ALA H 26742 1 8 . 1 1 17 17 LEU H H 1 1.32721 . . . 191 LEU H 26742 1 9 . 1 1 18 18 LYS H H 1 1.33144 . . . 192 LYS H 26742 1 10 . 1 1 19 19 LEU H H 1 1.39388 . . . 193 LEU H 26742 1 11 . 1 1 20 20 ALA H H 1 1.31712 . . . 194 ALA H 26742 1 12 . 1 1 21 21 LEU H H 1 1.49717 . . . 195 LEU H 26742 1 13 . 1 1 22 22 GLU H H 1 1.62453 . . . 196 GLU H 26742 1 14 . 1 1 23 23 TYR H H 1 1.424 . . . 197 TYR H 26742 1 15 . 1 1 24 24 ILE H H 1 1.45536 . . . 198 ILE H 26742 1 16 . 1 1 25 25 VAL H H 1 1.44987 . . . 199 VAL H 26742 1 17 . 1 1 27 27 CYS H H 1 1.47977 . . . 201 CYS H 26742 1 18 . 1 1 28 28 MET H H 1 1.57299 . . . 202 MET H 26742 1 19 . 1 1 29 29 ASN H H 1 1.50039 . . . 203 ASN H 26742 1 20 . 1 1 30 30 LYS H H 1 1.5355 . . . 204 LYS H 26742 1 21 . 1 1 31 31 HIS H H 1 1.54251 . . . 205 HIS H 26742 1 22 . 1 1 32 32 GLY H H 1 1.57495 . . . 206 GLY H 26742 1 23 . 1 1 33 33 ILE H H 1 1.44387 . . . 207 ILE H 26742 1 24 . 1 1 35 35 VAL H H 1 1.48814 . . . 209 VAL H 26742 1 25 . 1 1 38 38 ASP H H 1 1.57299 . . . 212 ASP H 26742 1 26 . 1 1 39 39 PHE H H 1 1.4556 . . . 213 PHE H 26742 1 27 . 1 1 41 41 GLY H H 1 1.58791 . . . 215 GLY H 26742 1 28 . 1 1 42 42 LYS H H 1 1.50142 . . . 216 LYS H 26742 1 29 . 1 1 43 43 GLU H H 1 1.47219 . . . 217 GLU H 26742 1 30 . 1 1 44 44 THR H H 1 1.50174 . . . 218 THR H 26742 1 31 . 1 1 45 45 GLY H H 1 1.42874 . . . 219 GLY H 26742 1 32 . 1 1 46 46 GLN H H 1 1.45582 . . . 220 GLN H 26742 1 33 . 1 1 47 47 GLN H H 1 1.5007 . . . 221 GLN H 26742 1 34 . 1 1 48 48 ILE H H 1 1.49994 . . . 222 ILE H 26742 1 35 . 1 1 49 49 GLY H H 1 1.52343 . . . 223 GLY H 26742 1 36 . 1 1 50 50 ASP H H 1 1.49609 . . . 224 ASP H 26742 1 37 . 1 1 51 51 GLU H H 1 1.48721 . . . 225 GLU H 26742 1 38 . 1 1 52 52 VAL H H 1 1.55617 . . . 226 VAL H 26742 1 39 . 1 1 53 53 ARG H H 1 1.51109 . . . 227 ARG H 26742 1 40 . 1 1 54 54 ALA H H 1 1.44436 . . . 228 ALA H 26742 1 41 . 1 1 55 55 LEU H H 1 1.52293 . . . 229 LEU H 26742 1 42 . 1 1 56 56 HIS H H 1 1.434 . . . 230 HIS H 26742 1 43 . 1 1 57 57 ASP H H 1 1.4366 . . . 231 ASP H 26742 1 44 . 1 1 58 58 THR H H 1 1.47634 . . . 232 THR H 26742 1 45 . 1 1 59 59 GLY H H 1 1.27832 . . . 233 GLY H 26742 1 46 . 1 1 60 60 LYS H H 1 1.34327 . . . 234 LYS H 26742 1 47 . 1 1 61 61 PHE H H 1 1.40446 . . . 235 PHE H 26742 1 48 . 1 1 62 62 THR H H 1 1.54123 . . . 236 THR H 26742 1 49 . 1 1 63 63 ASP H H 1 1.47053 . . . 237 ASP H 26742 1 50 . 1 1 64 64 GLY H H 1 1.10492 . . . 238 GLY H 26742 1 51 . 1 1 69 69 GLN H H 1 1.25196 . . . 243 GLN H 26742 1 52 . 1 1 71 71 SER H H 1 0.96806 . . . 245 SER H 26742 1 53 . 1 1 72 72 ASP H H 1 0.94507 . . . 246 ASP H 26742 1 54 . 1 1 73 73 SER H H 1 0.89539 . . . 247 SER H 26742 1 55 . 1 1 74 74 SER H H 1 0.88421 . . . 248 SER H 26742 1 56 . 1 1 75 75 LYS H H 1 1.03808 . . . 249 LYS H 26742 1 57 . 1 1 76 76 ASP H H 1 1.11183 . . . 250 ASP H 26742 1 58 . 1 1 77 77 ILE H H 1 1.30618 . . . 251 ILE H 26742 1 59 . 1 1 78 78 ARG H H 1 1.54138 . . . 252 ARG H 26742 1 60 . 1 1 79 79 GLY H H 1 1.67739 . . . 253 GLY H 26742 1 61 . 1 1 80 80 ASP H H 1 1.293 . . . 254 ASP H 26742 1 62 . 1 1 81 81 LYS H H 1 1.52211 . . . 255 LYS H 26742 1 63 . 1 1 82 82 ILE H H 1 1.52147 . . . 256 ILE H 26742 1 64 . 1 1 83 83 THR H H 1 1.50942 . . . 257 THR H 26742 1 65 . 1 1 84 84 TRP H H 1 1.60187 . . . 258 TRP H 26742 1 66 . 1 1 85 85 ILE H H 1 1.61599 . . . 259 ILE H 26742 1 67 . 1 1 86 86 GLU H H 1 1.48857 . . . 260 GLU H 26742 1 68 . 1 1 87 87 GLY H H 1 1.51182 . . . 261 GLY H 26742 1 69 . 1 1 88 88 LYS H H 1 1.52477 . . . 262 LYS H 26742 1 70 . 1 1 89 89 GLU H H 1 1.48794 . . . 263 GLU H 26742 1 71 . 1 1 91 91 GLY H H 1 1.61451 . . . 265 GLY H 26742 1 72 . 1 1 92 92 CYS H H 1 1.52899 . . . 266 CYS H 26742 1 73 . 1 1 93 93 GLU H H 1 1.34575 . . . 267 GLU H 26742 1 74 . 1 1 95 95 ILE H H 1 1.46337 . . . 269 ILE H 26742 1 75 . 1 1 96 96 GLY H H 1 1.52088 . . . 270 GLY H 26742 1 76 . 1 1 97 97 LEU H H 1 1.41856 . . . 271 LEU H 26742 1 77 . 1 1 104 104 ASP H H 1 1.34906 . . . 278 ASP H 26742 1 78 . 1 1 110 110 ASN H H 1 1.30621 . . . 284 ASN H 26742 1 79 . 1 1 111 111 GLY H H 1 1.33584 . . . 285 GLY H 26742 1 80 . 1 1 112 112 LYS H H 1 1.19346 . . . 286 LYS H 26742 1 81 . 1 1 113 113 LEU H H 1 1.5007 . . . 287 LEU H 26742 1 82 . 1 1 114 114 GLY H H 1 0.96694 . . . 288 GLY H 26742 1 83 . 1 1 115 115 SER H H 1 1.50503 . . . 289 SER H 26742 1 84 . 1 1 116 116 TYR H H 1 1.50779 . . . 290 TYR H 26742 1 85 . 1 1 117 117 LYS H H 1 1.58509 . . . 291 LYS H 26742 1 86 . 1 1 118 118 ILE H H 1 1.68163 . . . 292 ILE H 26742 1 87 . 1 1 120 120 GLY H H 1 1.31411 . . . 294 GLY H 26742 1 88 . 1 1 121 121 ARG H H 1 1.15304 . . . 295 ARG H 26742 1 89 . 1 1 122 122 THR H H 1 1.4801 . . . 296 THR H 26742 1 90 . 1 1 123 123 LYS H H 1 1.636 . . . 297 LYS H 26742 1 91 . 1 1 124 124 ALA H H 1 1.47053 . . . 298 ALA H 26742 1 92 . 1 1 125 125 MET H H 1 1.58111 . . . 299 MET H 26742 1 93 . 1 1 126 126 VAL H H 1 1.50679 . . . 300 VAL H 26742 1 94 . 1 1 127 127 ALA H H 1 1.53355 . . . 301 ALA H 26742 1 95 . 1 1 128 128 CYS H H 1 1.61181 . . . 302 CYS H 26742 1 96 . 1 1 129 129 TYR H H 1 1.56629 . . . 303 TYR H 26742 1 97 . 1 1 131 131 GLY H H 1 1.63886 . . . 305 GLY H 26742 1 98 . 1 1 132 132 ASN H H 1 1.59229 . . . 306 ASN H 26742 1 99 . 1 1 133 133 GLY H H 1 1.59318 . . . 307 GLY H 26742 1 100 . 1 1 134 134 THR H H 1 1.53433 . . . 308 THR H 26742 1 101 . 1 1 135 135 GLY H H 1 1.75105 . . . 309 GLY H 26742 1 102 . 1 1 136 136 TYR H H 1 1.47629 . . . 310 TYR H 26742 1 103 . 1 1 138 138 ARG H H 1 1.33003 . . . 312 ARG H 26742 1 104 . 1 1 139 139 HIS H H 1 1.47143 . . . 313 HIS H 26742 1 105 . 1 1 141 141 ASP H H 1 1.47629 . . . 315 ASP H 26742 1 106 . 1 1 142 142 ASN H H 1 1.48942 . . . 316 ASN H 26742 1 107 . 1 1 145 145 GLY H H 1 1.5824 . . . 319 GLY H 26742 1 108 . 1 1 146 146 ASP H H 1 1.44695 . . . 320 ASP H 26742 1 109 . 1 1 147 147 GLY H H 1 1.101 . . . 321 GLY H 26742 1 110 . 1 1 150 150 VAL H H 1 1.47317 . . . 324 VAL H 26742 1 111 . 1 1 151 151 THR H H 1 1.47577 . . . 325 THR H 26742 1 112 . 1 1 156 156 LEU H H 1 1.63223 . . . 330 LEU H 26742 1 113 . 1 1 157 157 ASN H H 1 1.50995 . . . 331 ASN H 26742 1 114 . 1 1 158 158 LYS H H 1 1.53237 . . . 332 LYS H 26742 1 115 . 1 1 159 159 ASP H H 1 1.3589 . . . 333 ASP H 26742 1 116 . 1 1 160 160 TRP H H 1 1.57855 . . . 334 TRP H 26742 1 117 . 1 1 161 161 ASP H H 1 1.68963 . . . 335 ASP H 26742 1 118 . 1 1 163 163 LYS H H 1 1.39385 . . . 337 LYS H 26742 1 119 . 1 1 164 164 VAL H H 1 1.59582 . . . 338 VAL H 26742 1 120 . 1 1 165 165 SER H H 1 1.57295 . . . 339 SER H 26742 1 121 . 1 1 166 166 GLY H H 1 1.4077 . . . 340 GLY H 26742 1 122 . 1 1 168 168 ILE H H 1 1.28664 . . . 342 ILE H 26742 1 123 . 1 1 169 169 LEU H H 1 1.56359 . . . 343 LEU H 26742 1 124 . 1 1 170 170 ARG H H 1 1.47798 . . . 344 ARG H 26742 1 125 . 1 1 171 171 ILE H H 1 1.57947 . . . 345 ILE H 26742 1 126 . 1 1 172 172 PHE H H 1 1.54726 . . . 346 PHE H 26742 1 127 . 1 1 174 174 GLU H H 1 1.45576 . . . 348 GLU H 26742 1 128 . 1 1 175 175 GLY H H 1 1.3914 . . . 349 GLY H 26742 1 129 . 1 1 176 176 LYS H H 1 1.30772 . . . 350 LYS H 26742 1 130 . 1 1 177 177 ALA H H 1 1.25196 . . . 351 ALA H 26742 1 131 . 1 1 178 178 GLN H H 1 1.48332 . . . 352 GLN H 26742 1 132 . 1 1 179 179 PHE H H 1 1.42819 . . . 353 PHE H 26742 1 133 . 1 1 180 180 ALA H H 1 1.50817 . . . 354 ALA H 26742 1 134 . 1 1 181 181 ASP H H 1 1.69128 . . . 355 ASP H 26742 1 135 . 1 1 182 182 ILE H H 1 1.71649 . . . 356 ILE H 26742 1 136 . 1 1 185 185 LYS H H 1 1.48426 . . . 359 LYS H 26742 1 137 . 1 1 186 186 PHE H H 1 1.53598 . . . 360 PHE H 26742 1 138 . 1 1 187 187 ASP H H 1 1.44472 . . . 361 ASP H 26742 1 139 . 1 1 193 193 TRP H H 1 1.44598 . . . 367 TRP H 26742 1 140 . 1 1 194 194 SER H H 1 1.57735 . . . 368 SER H 26742 1 141 . 1 1 195 195 ASP H H 1 1.50189 . . . 369 ASP H 26742 1 142 . 1 1 196 196 ARG H H 1 1.56369 . . . 370 ARG H 26742 1 143 . 1 1 197 197 ARG H H 1 1.36387 . . . 371 ARG H 26742 1 144 . 1 1 198 198 ASN H H 1 1.069 . . . 372 ASN H 26742 1 145 . 1 1 200 200 HIS H H 1 1.31307 . . . 374 HIS H 26742 1 146 . 1 1 201 201 GLU H H 1 1.5612 . . . 375 GLU H 26742 1 147 . 1 1 202 202 VAL H H 1 1.57341 . . . 376 VAL H 26742 1 148 . 1 1 203 203 GLN H H 1 1.54107 . . . 377 GLN H 26742 1 149 . 1 1 207 207 ALA H H 1 1.58649 . . . 381 ALA H 26742 1 150 . 1 1 208 208 THR H H 1 1.60724 . . . 382 THR H 26742 1 151 . 1 1 209 209 ARG H H 1 1.60215 . . . 383 ARG H 26742 1 152 . 1 1 210 210 TYR H H 1 1.49565 . . . 384 TYR H 26742 1 153 . 1 1 211 211 ALA H H 1 1.56566 . . . 385 ALA H 26742 1 154 . 1 1 219 219 ALA H H 1 1.397 . . . 393 ALA H 26742 1 155 . 1 1 220 220 ASP H H 1 1.05717 . . . 394 ASP H 26742 1 156 . 1 1 221 221 GLU H H 1 1.56397 . . . 395 GLU H 26742 1 157 . 1 1 222 222 ARG H H 1 1.51643 . . . 396 ARG H 26742 1 158 . 1 1 223 223 ALA H H 1 1.28128 . . . 397 ALA H 26742 1 159 . 1 1 224 224 ARG H H 1 1.43728 . . . 398 ARG H 26742 1 160 . 1 1 225 225 ALA H H 1 1.33401 . . . 399 ALA H 26742 1 161 . 1 1 226 226 LYS H H 1 1.34619 . . . 400 LYS H 26742 1 162 . 1 1 227 227 VAL H H 1 0.92315 . . . 401 VAL H 26742 1 163 . 1 1 228 228 LYS H H 1 0.84591 . . . 402 LYS H 26742 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 26742 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 900 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 10 '3D T2' . . . 26742 1 11 '2D 1H-15N HSQC' . . . 26742 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 8 8 ASN H H 1 116.40213 . . . . . 182 ASN H 26742 1 2 . 1 1 9 9 GLY H H 1 210.65616 . . . . . 183 GLY H 26742 1 3 . 1 1 10 10 GLN H H 1 225.65928 . . . . . 184 GLN H 26742 1 4 . 1 1 11 11 THR H H 1 143.31008 . . . . . 185 THR H 26742 1 5 . 1 1 12 12 LYS H H 1 107.20944 . . . . . 186 LYS H 26742 1 6 . 1 1 14 14 LEU H H 1 86.44546 . . . . . 188 LEU H 26742 1 7 . 1 1 16 16 ALA H H 1 51.44398 . . . . . 190 ALA H 26742 1 8 . 1 1 17 17 LEU H H 1 51.43217 . . . . . 191 LEU H 26742 1 9 . 1 1 18 18 LYS H H 1 51.844 . . . . . 192 LYS H 26742 1 10 . 1 1 19 19 LEU H H 1 48.343 . . . . . 193 LEU H 26742 1 11 . 1 1 20 20 ALA H H 1 47.99304 . . . . . 194 ALA H 26742 1 12 . 1 1 21 21 LEU H H 1 54.08712 . . . . . 195 LEU H 26742 1 13 . 1 1 22 22 GLU H H 1 53.62943 . . . . . 196 GLU H 26742 1 14 . 1 1 23 23 TYR H H 1 53.002 . . . . . 197 TYR H 26742 1 15 . 1 1 24 24 ILE H H 1 45.598 . . . . . 198 ILE H 26742 1 16 . 1 1 25 25 VAL H H 1 48.23255 . . . . . 199 VAL H 26742 1 17 . 1 1 27 27 CYS H H 1 49.07643 . . . . . 201 CYS H 26742 1 18 . 1 1 28 28 MET H H 1 48.83413 . . . . . 202 MET H 26742 1 19 . 1 1 29 29 ASN H H 1 46.58392 . . . . . 203 ASN H 26742 1 20 . 1 1 30 30 LYS H H 1 48.00285 . . . . . 204 LYS H 26742 1 21 . 1 1 31 31 HIS H H 1 57.416 . . . . . 205 HIS H 26742 1 22 . 1 1 32 32 GLY H H 1 49.744 . . . . . 206 GLY H 26742 1 23 . 1 1 33 33 ILE H H 1 49.39493 . . . . . 207 ILE H 26742 1 24 . 1 1 35 35 VAL H H 1 49.431 . . . . . 209 VAL H 26742 1 25 . 1 1 38 38 ASP H H 1 48.83413 . . . . . 212 ASP H 26742 1 26 . 1 1 39 39 PHE H H 1 47.622 . . . . . 213 PHE H 26742 1 27 . 1 1 41 41 GLY H H 1 49.88 . . . . . 215 GLY H 26742 1 28 . 1 1 42 42 LYS H H 1 45.52215 . . . . . 216 LYS H 26742 1 29 . 1 1 43 43 GLU H H 1 50.10384 . . . . . 217 GLU H 26742 1 30 . 1 1 44 44 THR H H 1 49.29069 . . . . . 218 THR H 26742 1 31 . 1 1 45 45 GLY H H 1 48.32198 . . . . . 219 GLY H 26742 1 32 . 1 1 46 46 GLN H H 1 44.38211 . . . . . 220 GLN H 26742 1 33 . 1 1 47 47 GLN H H 1 47.54467 . . . . . 221 GLN H 26742 1 34 . 1 1 48 48 ILE H H 1 47.94929 . . . . . 222 ILE H 26742 1 35 . 1 1 49 49 GLY H H 1 43.642 . . . . . 223 GLY H 26742 1 36 . 1 1 50 50 ASP H H 1 46.63685 . . . . . 224 ASP H 26742 1 37 . 1 1 51 51 GLU H H 1 48.08901 . . . . . 225 GLU H 26742 1 38 . 1 1 52 52 VAL H H 1 45.75824 . . . . . 226 VAL H 26742 1 39 . 1 1 53 53 ARG H H 1 44.90151 . . . . . 227 ARG H 26742 1 40 . 1 1 54 54 ALA H H 1 46.5714 . . . . . 228 ALA H 26742 1 41 . 1 1 55 55 LEU H H 1 46.79503 . . . . . 229 LEU H 26742 1 42 . 1 1 56 56 HIS H H 1 43.69 . . . . . 230 HIS H 26742 1 43 . 1 1 57 57 ASP H H 1 47.429 . . . . . 231 ASP H 26742 1 44 . 1 1 58 58 THR H H 1 51.85651 . . . . . 232 THR H 26742 1 45 . 1 1 59 59 GLY H H 1 51.44019 . . . . . 233 GLY H 26742 1 46 . 1 1 60 60 LYS H H 1 53.23756 . . . . . 234 LYS H 26742 1 47 . 1 1 61 61 PHE H H 1 42.867 . . . . . 235 PHE H 26742 1 48 . 1 1 62 62 THR H H 1 50.847 . . . . . 236 THR H 26742 1 49 . 1 1 63 63 ASP H H 1 59.11848 . . . . . 237 ASP H 26742 1 50 . 1 1 64 64 GLY H H 1 42.072 . . . . . 238 GLY H 26742 1 51 . 1 1 69 69 GLN H H 1 73.72635 . . . . . 243 GLN H 26742 1 52 . 1 1 71 71 SER H H 1 98.79173 . . . . . 245 SER H 26742 1 53 . 1 1 72 72 ASP H H 1 94.37469 . . . . . 246 ASP H 26742 1 54 . 1 1 73 73 SER H H 1 94.16006 . . . . . 247 SER H 26742 1 55 . 1 1 74 74 SER H H 1 55.45241 . . . . . 248 SER H 26742 1 56 . 1 1 75 75 LYS H H 1 71.5609 . . . . . 249 LYS H 26742 1 57 . 1 1 76 76 ASP H H 1 29.56349 . . . . . 250 ASP H 26742 1 58 . 1 1 77 77 ILE H H 1 59.174 . . . . . 251 ILE H 26742 1 59 . 1 1 78 78 ARG H H 1 24.142 . . . . . 252 ARG H 26742 1 60 . 1 1 79 79 GLY H H 1 49.081 . . . . . 253 GLY H 26742 1 61 . 1 1 80 80 ASP H H 1 33.935 . . . . . 254 ASP H 26742 1 62 . 1 1 81 81 LYS H H 1 57.447 . . . . . 255 LYS H 26742 1 63 . 1 1 82 82 ILE H H 1 49.594 . . . . . 256 ILE H 26742 1 64 . 1 1 83 83 THR H H 1 50.395 . . . . . 257 THR H 26742 1 65 . 1 1 84 84 TRP H H 1 57.93219 . . . . . 258 TRP H 26742 1 66 . 1 1 85 85 ILE H H 1 56.72609 . . . . . 259 ILE H 26742 1 67 . 1 1 86 86 GLU H H 1 55.095 . . . . . 260 GLU H 26742 1 68 . 1 1 87 87 GLY H H 1 54.812 . . . . . 261 GLY H 26742 1 69 . 1 1 88 88 LYS H H 1 56.471 . . . . . 262 LYS H 26742 1 70 . 1 1 89 89 GLU H H 1 53.672 . . . . . 263 GLU H 26742 1 71 . 1 1 91 91 GLY H H 1 57.46043 . . . . . 265 GLY H 26742 1 72 . 1 1 92 92 CYS H H 1 56.32398 . . . . . 266 CYS H 26742 1 73 . 1 1 93 93 GLU H H 1 49.67923 . . . . . 267 GLU H 26742 1 74 . 1 1 95 95 ILE H H 1 53.51499 . . . . . 269 ILE H 26742 1 75 . 1 1 96 96 GLY H H 1 47.946 . . . . . 270 GLY H 26742 1 76 . 1 1 97 97 LEU H H 1 52.08578 . . . . . 271 LEU H 26742 1 77 . 1 1 104 104 ASP H H 1 40.627 . . . . . 278 ASP H 26742 1 78 . 1 1 110 110 ASN H H 1 53.92058 . . . . . 284 ASN H 26742 1 79 . 1 1 111 111 GLY H H 1 66.313 . . . . . 285 GLY H 26742 1 80 . 1 1 112 112 LYS H H 1 58.72628 . . . . . 286 LYS H 26742 1 81 . 1 1 113 113 LEU H H 1 58.005 . . . . . 287 LEU H 26742 1 82 . 1 1 114 114 GLY H H 1 65.258 . . . . . 288 GLY H 26742 1 83 . 1 1 115 115 SER H H 1 49.497 . . . . . 289 SER H 26742 1 84 . 1 1 116 116 TYR H H 1 51.36767 . . . . . 290 TYR H 26742 1 85 . 1 1 117 117 LYS H H 1 55.355 . . . . . 291 LYS H 26742 1 86 . 1 1 118 118 ILE H H 1 58.426 . . . . . 292 ILE H 26742 1 87 . 1 1 120 120 GLY H H 1 44.35619 . . . . . 294 GLY H 26742 1 88 . 1 1 123 123 LYS H H 1 51.084 . . . . . 297 LYS H 26742 1 89 . 1 1 124 124 ALA H H 1 59.11848 . . . . . 298 ALA H 26742 1 90 . 1 1 125 125 MET H H 1 51.679 . . . . . 299 MET H 26742 1 91 . 1 1 126 126 VAL H H 1 46.909 . . . . . 300 VAL H 26742 1 92 . 1 1 127 127 ALA H H 1 47.54649 . . . . . 301 ALA H 26742 1 93 . 1 1 128 128 CYS H H 1 49.027 . . . . . 302 CYS H 26742 1 94 . 1 1 129 129 TYR H H 1 39.015 . . . . . 303 TYR H 26742 1 95 . 1 1 131 131 GLY H H 1 44.335 . . . . . 305 GLY H 26742 1 96 . 1 1 132 132 ASN H H 1 45.84081 . . . . . 306 ASN H 26742 1 97 . 1 1 133 133 GLY H H 1 43.75775 . . . . . 307 GLY H 26742 1 98 . 1 1 134 134 THR H H 1 24.359 . . . . . 308 THR H 26742 1 99 . 1 1 135 135 GLY H H 1 11.586 . . . . . 309 GLY H 26742 1 100 . 1 1 136 136 TYR H H 1 47.343 . . . . . 310 TYR H 26742 1 101 . 1 1 138 138 ARG H H 1 51.43 . . . . . 312 ARG H 26742 1 102 . 1 1 139 139 HIS H H 1 31.22698 . . . . . 313 HIS H 26742 1 103 . 1 1 140 140 VAL H H 1 27.61721 . . . . . 314 VAL H 26742 1 104 . 1 1 141 141 ASP H H 1 35.91287 . . . . . 315 ASP H 26742 1 105 . 1 1 142 142 ASN H H 1 28.60743 . . . . . 316 ASN H 26742 1 106 . 1 1 145 145 GLY H H 1 57.23998 . . . . . 319 GLY H 26742 1 107 . 1 1 146 146 ASP H H 1 50.24229 . . . . . 320 ASP H 26742 1 108 . 1 1 147 147 GLY H H 1 25.93984 . . . . . 321 GLY H 26742 1 109 . 1 1 149 149 CYS H H 1 41.716 . . . . . 323 CYS H 26742 1 110 . 1 1 150 150 VAL H H 1 53.39933 . . . . . 324 VAL H 26742 1 111 . 1 1 151 151 THR H H 1 58.69818 . . . . . 325 THR H 26742 1 112 . 1 1 156 156 LEU H H 1 50.2626 . . . . . 330 LEU H 26742 1 113 . 1 1 157 157 ASN H H 1 54.80442 . . . . . 331 ASN H 26742 1 114 . 1 1 158 158 LYS H H 1 41.16066 . . . . . 332 LYS H 26742 1 115 . 1 1 159 159 ASP H H 1 20.9564 . . . . . 333 ASP H 26742 1 116 . 1 1 160 160 TRP H H 1 37.53823 . . . . . 334 TRP H 26742 1 117 . 1 1 161 161 ASP H H 1 42.67508 . . . . . 335 ASP H 26742 1 118 . 1 1 163 163 LYS H H 1 50.13243 . . . . . 337 LYS H 26742 1 119 . 1 1 164 164 VAL H H 1 48.47364 . . . . . 338 VAL H 26742 1 120 . 1 1 165 165 SER H H 1 55.29033 . . . . . 339 SER H 26742 1 121 . 1 1 166 166 GLY H H 1 47.42846 . . . . . 340 GLY H 26742 1 122 . 1 1 167 167 GLY H H 1 46.242 . . . . . 341 GLY H 26742 1 123 . 1 1 168 168 ILE H H 1 44.07763 . . . . . 342 ILE H 26742 1 124 . 1 1 169 169 LEU H H 1 42.59222 . . . . . 343 LEU H 26742 1 125 . 1 1 170 170 ARG H H 1 43.47 . . . . . 344 ARG H 26742 1 126 . 1 1 171 171 ILE H H 1 52.77445 . . . . . 345 ILE H 26742 1 127 . 1 1 172 172 PHE H H 1 57.962 . . . . . 346 PHE H 26742 1 128 . 1 1 174 174 GLU H H 1 54.9684 . . . . . 348 GLU H 26742 1 129 . 1 1 175 175 GLY H H 1 65.35472 . . . . . 349 GLY H 26742 1 130 . 1 1 176 176 LYS H H 1 61.48385 . . . . . 350 LYS H 26742 1 131 . 1 1 177 177 ALA H H 1 73.72635 . . . . . 351 ALA H 26742 1 132 . 1 1 178 178 GLN H H 1 86.08288 . . . . . 352 GLN H 26742 1 133 . 1 1 179 179 PHE H H 1 64.41538 . . . . . 353 PHE H 26742 1 134 . 1 1 180 180 ALA H H 1 52.44141 . . . . . 354 ALA H 26742 1 135 . 1 1 181 181 ASP H H 1 58.39911 . . . . . 355 ASP H 26742 1 136 . 1 1 182 182 ILE H H 1 51.821 . . . . . 356 ILE H 26742 1 137 . 1 1 185 185 LYS H H 1 44.74066 . . . . . 359 LYS H 26742 1 138 . 1 1 186 186 PHE H H 1 37.9929 . . . . . 360 PHE H 26742 1 139 . 1 1 187 187 ASP H H 1 49.63345 . . . . . 361 ASP H 26742 1 140 . 1 1 193 193 TRP H H 1 49.545 . . . . . 367 TRP H 26742 1 141 . 1 1 194 194 SER H H 1 43.66798 . . . . . 368 SER H 26742 1 142 . 1 1 195 195 ASP H H 1 43.6225 . . . . . 369 ASP H 26742 1 143 . 1 1 196 196 ARG H H 1 51.74409 . . . . . 370 ARG H 26742 1 144 . 1 1 197 197 ARG H H 1 37.80942 . . . . . 371 ARG H 26742 1 145 . 1 1 200 200 HIS H H 1 37.50552 . . . . . 374 HIS H 26742 1 146 . 1 1 201 201 GLU H H 1 47.788 . . . . . 375 GLU H 26742 1 147 . 1 1 202 202 VAL H H 1 47.63782 . . . . . 376 VAL H 26742 1 148 . 1 1 203 203 GLN H H 1 47.29032 . . . . . 377 GLN H 26742 1 149 . 1 1 207 207 ALA H H 1 44.56589 . . . . . 381 ALA H 26742 1 150 . 1 1 208 208 THR H H 1 44.76325 . . . . . 382 THR H 26742 1 151 . 1 1 209 209 ARG H H 1 35.995 . . . . . 383 ARG H 26742 1 152 . 1 1 210 210 TYR H H 1 45.827 . . . . . 384 TYR H 26742 1 153 . 1 1 211 211 ALA H H 1 50.65237 . . . . . 385 ALA H 26742 1 154 . 1 1 218 218 ASP H H 1 55.223 . . . . . 392 ASP H 26742 1 155 . 1 1 219 219 ALA H H 1 36.67544 . . . . . 393 ALA H 26742 1 156 . 1 1 221 221 GLU H H 1 45.65115 . . . . . 395 GLU H 26742 1 157 . 1 1 222 222 ARG H H 1 43.26397 . . . . . 396 ARG H 26742 1 158 . 1 1 223 223 ALA H H 1 43.33514 . . . . . 397 ALA H 26742 1 159 . 1 1 224 224 ARG H H 1 52.9565 . . . . . 398 ARG H 26742 1 160 . 1 1 225 225 ALA H H 1 49.32 . . . . . 399 ALA H 26742 1 161 . 1 1 226 226 LYS H H 1 31.7919 . . . . . 400 LYS H 26742 1 162 . 1 1 227 227 VAL H H 1 73.77 . . . . . 401 VAL H 26742 1 163 . 1 1 228 228 LYS H H 1 194.378 . . . . . 402 LYS H 26742 1 stop_ save_