data_30159 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30159 _Entry.Title ; Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-19 _Entry.Accession_date 2016-08-19 _Entry.Last_release_date 2016-11-14 _Entry.Original_release_date 2016-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 M. Strickland M. . . . 30159 2 A. Stanley A. M. . . 30159 3 G. Wang G. . . . 30159 4 C. Schwieters C. D. . . 30159 5 S. Buchanan S. . . . 30159 6 A. Peterkofsky A. . . . 30159 7 N. Tjandra N. . . . 30159 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PTSNtr . 30159 TRANSFERASE . 30159 bacterial . 30159 complex . 30159 phosphotransfer . 30159 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 30159 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 821 30159 '15N chemical shifts' 285 30159 '1H chemical shifts' 285 30159 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 . . 2017-02-22 2016-08-19 update BMRB 'update entry citation' 30159 1 . . 2016-11-14 2016-08-19 original author 'original release' 30159 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30158 'NPr (1-85), apo form' 30159 PDB 5T1O 'BMRB Entry Tracking System' 30159 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30159 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27839951 _Citation.Full_citation . _Citation.Title ; Structure of the NPr:EINNtr Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 24 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 2127 _Citation.Page_last 2137 _Citation.Year 2016 _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 Madeleine Strickland M. . . . 30159 1 2 'Ann Marie' Stanley A. M. . . 30159 1 3 Guangshun Wang G. . . . 30159 1 4 Istvan Botos I. . . . 30159 1 5 Charles Schwieters C. D. . . 30159 1 6 Susan Buchanan S. K. . . 30159 1 7 Alan Peterkofsky A. . . . 30159 1 8 Nico Tjandra N. . . . 30159 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30159 _Assembly.ID 1 _Assembly.Name 'Phosphocarrier protein NPr (E.C.2.7.11.-), Phosphoenolpyruvate-protein phosphotransferase PtsP (E.C.2.7.3.9)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 entity_1 1 $entity_1 A A yes . . . . . . 30159 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30159 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30159 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTVKQTVEITNKLGMHARPA MKLFELMQGFDAEVLLRNDE GTEAEANSVIALLMLDSAKG RQIEVEATGPQEEEALAAVI ALFNS ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.11.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9254.570 _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 'Nitrogen-related HPr' na 30159 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30159 1 2 . THR . 30159 1 3 . VAL . 30159 1 4 . LYS . 30159 1 5 . GLN . 30159 1 6 . THR . 30159 1 7 . VAL . 30159 1 8 . GLU . 30159 1 9 . ILE . 30159 1 10 . THR . 30159 1 11 . ASN . 30159 1 12 . LYS . 30159 1 13 . LEU . 30159 1 14 . GLY . 30159 1 15 . MET . 30159 1 16 . HIS . 30159 1 17 . ALA . 30159 1 18 . ARG . 30159 1 19 . PRO . 30159 1 20 . ALA . 30159 1 21 . MET . 30159 1 22 . LYS . 30159 1 23 . LEU . 30159 1 24 . PHE . 30159 1 25 . GLU . 30159 1 26 . LEU . 30159 1 27 . MET . 30159 1 28 . GLN . 30159 1 29 . GLY . 30159 1 30 . PHE . 30159 1 31 . ASP . 30159 1 32 . ALA . 30159 1 33 . GLU . 30159 1 34 . VAL . 30159 1 35 . LEU . 30159 1 36 . LEU . 30159 1 37 . ARG . 30159 1 38 . ASN . 30159 1 39 . ASP . 30159 1 40 . GLU . 30159 1 41 . GLY . 30159 1 42 . THR . 30159 1 43 . GLU . 30159 1 44 . ALA . 30159 1 45 . GLU . 30159 1 46 . ALA . 30159 1 47 . ASN . 30159 1 48 . SER . 30159 1 49 . VAL . 30159 1 50 . ILE . 30159 1 51 . ALA . 30159 1 52 . LEU . 30159 1 53 . LEU . 30159 1 54 . MET . 30159 1 55 . LEU . 30159 1 56 . ASP . 30159 1 57 . SER . 30159 1 58 . ALA . 30159 1 59 . LYS . 30159 1 60 . GLY . 30159 1 61 . ARG . 30159 1 62 . GLN . 30159 1 63 . ILE . 30159 1 64 . GLU . 30159 1 65 . VAL . 30159 1 66 . GLU . 30159 1 67 . ALA . 30159 1 68 . THR . 30159 1 69 . GLY . 30159 1 70 . PRO . 30159 1 71 . GLN . 30159 1 72 . GLU . 30159 1 73 . GLU . 30159 1 74 . GLU . 30159 1 75 . ALA . 30159 1 76 . LEU . 30159 1 77 . ALA . 30159 1 78 . ALA . 30159 1 79 . VAL . 30159 1 80 . ILE . 30159 1 81 . ALA . 30159 1 82 . LEU . 30159 1 83 . PHE . 30159 1 84 . ASN . 30159 1 85 . SER . 30159 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30159 1 . THR 2 2 30159 1 . VAL 3 3 30159 1 . LYS 4 4 30159 1 . GLN 5 5 30159 1 . THR 6 6 30159 1 . VAL 7 7 30159 1 . GLU 8 8 30159 1 . ILE 9 9 30159 1 . THR 10 10 30159 1 . ASN 11 11 30159 1 . LYS 12 12 30159 1 . LEU 13 13 30159 1 . GLY 14 14 30159 1 . MET 15 15 30159 1 . HIS 16 16 30159 1 . ALA 17 17 30159 1 . ARG 18 18 30159 1 . PRO 19 19 30159 1 . ALA 20 20 30159 1 . MET 21 21 30159 1 . LYS 22 22 30159 1 . LEU 23 23 30159 1 . PHE 24 24 30159 1 . GLU 25 25 30159 1 . LEU 26 26 30159 1 . MET 27 27 30159 1 . GLN 28 28 30159 1 . GLY 29 29 30159 1 . PHE 30 30 30159 1 . ASP 31 31 30159 1 . ALA 32 32 30159 1 . GLU 33 33 30159 1 . VAL 34 34 30159 1 . LEU 35 35 30159 1 . LEU 36 36 30159 1 . ARG 37 37 30159 1 . ASN 38 38 30159 1 . ASP 39 39 30159 1 . GLU 40 40 30159 1 . GLY 41 41 30159 1 . THR 42 42 30159 1 . GLU 43 43 30159 1 . ALA 44 44 30159 1 . GLU 45 45 30159 1 . ALA 46 46 30159 1 . ASN 47 47 30159 1 . SER 48 48 30159 1 . VAL 49 49 30159 1 . ILE 50 50 30159 1 . ALA 51 51 30159 1 . LEU 52 52 30159 1 . LEU 53 53 30159 1 . MET 54 54 30159 1 . LEU 55 55 30159 1 . ASP 56 56 30159 1 . SER 57 57 30159 1 . ALA 58 58 30159 1 . LYS 59 59 30159 1 . GLY 60 60 30159 1 . ARG 61 61 30159 1 . GLN 62 62 30159 1 . ILE 63 63 30159 1 . GLU 64 64 30159 1 . VAL 65 65 30159 1 . GLU 66 66 30159 1 . ALA 67 67 30159 1 . THR 68 68 30159 1 . GLY 69 69 30159 1 . PRO 70 70 30159 1 . GLN 71 71 30159 1 . GLU 72 72 30159 1 . GLU 73 73 30159 1 . GLU 74 74 30159 1 . ALA 75 75 30159 1 . LEU 76 76 30159 1 . ALA 77 77 30159 1 . ALA 78 78 30159 1 . VAL 79 79 30159 1 . ILE 80 80 30159 1 . ALA 81 81 30159 1 . LEU 82 82 30159 1 . PHE 83 83 30159 1 . ASN 84 84 30159 1 . SER 85 85 30159 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30159 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRIRALPAAPGVAIAEGWQD ATLPLMEQVYQASTLDPALE RERLTGALEEAANEFRRYSK RFAAGAQKETAAIFDLYSHL LSDTRLRRELFAEVDKGSVA EWAVKTVIEKFAEQFAALSD NYLKERAGDLRALGQRLLFH LDDANQGPNAWPERFILVAD ELSATTLAELPQDRLVGVVV RDGAANSQAAIMVRALGIPT VMGADIQPSVLHRRTLIVDG YRGELLVDPEPVLLQEYQRL ISEEIELSRLAEDDVN ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 256 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation H356Q _Entity.EC_number 2.7.3.9 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28380.070 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This molecule was mutated at position 356 from histidine to glutamine. In E. coli, when the native histidine is present, the sample can be phosphorylated. It was mutated to provide a homogeneous sample. Additionally, it comprises residues 170-424 of the larger Enzyme I-Ntr molecule. Residue 169 is mutated to glycine due to TEV protease cleavage. ; _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 'Enzyme I-Ntr' na 30159 2 'Phosphotransferase system' na 30159 2 'enzyme I' na 30159 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 1 169 GLY . 30159 2 2 170 ARG . 30159 2 3 171 ILE . 30159 2 4 172 ARG . 30159 2 5 173 ALA . 30159 2 6 174 LEU . 30159 2 7 175 PRO . 30159 2 8 176 ALA . 30159 2 9 177 ALA . 30159 2 10 178 PRO . 30159 2 11 179 GLY . 30159 2 12 180 VAL . 30159 2 13 181 ALA . 30159 2 14 182 ILE . 30159 2 15 183 ALA . 30159 2 16 184 GLU . 30159 2 17 185 GLY . 30159 2 18 186 TRP . 30159 2 19 187 GLN . 30159 2 20 188 ASP . 30159 2 21 189 ALA . 30159 2 22 190 THR . 30159 2 23 191 LEU . 30159 2 24 192 PRO . 30159 2 25 193 LEU . 30159 2 26 194 MET . 30159 2 27 195 GLU . 30159 2 28 196 GLN . 30159 2 29 197 VAL . 30159 2 30 198 TYR . 30159 2 31 199 GLN . 30159 2 32 200 ALA . 30159 2 33 201 SER . 30159 2 34 202 THR . 30159 2 35 203 LEU . 30159 2 36 204 ASP . 30159 2 37 205 PRO . 30159 2 38 206 ALA . 30159 2 39 207 LEU . 30159 2 40 208 GLU . 30159 2 41 209 ARG . 30159 2 42 210 GLU . 30159 2 43 211 ARG . 30159 2 44 212 LEU . 30159 2 45 213 THR . 30159 2 46 214 GLY . 30159 2 47 215 ALA . 30159 2 48 216 LEU . 30159 2 49 217 GLU . 30159 2 50 218 GLU . 30159 2 51 219 ALA . 30159 2 52 220 ALA . 30159 2 53 221 ASN . 30159 2 54 222 GLU . 30159 2 55 223 PHE . 30159 2 56 224 ARG . 30159 2 57 225 ARG . 30159 2 58 226 TYR . 30159 2 59 227 SER . 30159 2 60 228 LYS . 30159 2 61 229 ARG . 30159 2 62 230 PHE . 30159 2 63 231 ALA . 30159 2 64 232 ALA . 30159 2 65 233 GLY . 30159 2 66 234 ALA . 30159 2 67 235 GLN . 30159 2 68 236 LYS . 30159 2 69 237 GLU . 30159 2 70 238 THR . 30159 2 71 239 ALA . 30159 2 72 240 ALA . 30159 2 73 241 ILE . 30159 2 74 242 PHE . 30159 2 75 243 ASP . 30159 2 76 244 LEU . 30159 2 77 245 TYR . 30159 2 78 246 SER . 30159 2 79 247 HIS . 30159 2 80 248 LEU . 30159 2 81 249 LEU . 30159 2 82 250 SER . 30159 2 83 251 ASP . 30159 2 84 252 THR . 30159 2 85 253 ARG . 30159 2 86 254 LEU . 30159 2 87 255 ARG . 30159 2 88 256 ARG . 30159 2 89 257 GLU . 30159 2 90 258 LEU . 30159 2 91 259 PHE . 30159 2 92 260 ALA . 30159 2 93 261 GLU . 30159 2 94 262 VAL . 30159 2 95 263 ASP . 30159 2 96 264 LYS . 30159 2 97 265 GLY . 30159 2 98 266 SER . 30159 2 99 267 VAL . 30159 2 100 268 ALA . 30159 2 101 269 GLU . 30159 2 102 270 TRP . 30159 2 103 271 ALA . 30159 2 104 272 VAL . 30159 2 105 273 LYS . 30159 2 106 274 THR . 30159 2 107 275 VAL . 30159 2 108 276 ILE . 30159 2 109 277 GLU . 30159 2 110 278 LYS . 30159 2 111 279 PHE . 30159 2 112 280 ALA . 30159 2 113 281 GLU . 30159 2 114 282 GLN . 30159 2 115 283 PHE . 30159 2 116 284 ALA . 30159 2 117 285 ALA . 30159 2 118 286 LEU . 30159 2 119 287 SER . 30159 2 120 288 ASP . 30159 2 121 289 ASN . 30159 2 122 290 TYR . 30159 2 123 291 LEU . 30159 2 124 292 LYS . 30159 2 125 293 GLU . 30159 2 126 294 ARG . 30159 2 127 295 ALA . 30159 2 128 296 GLY . 30159 2 129 297 ASP . 30159 2 130 298 LEU . 30159 2 131 299 ARG . 30159 2 132 300 ALA . 30159 2 133 301 LEU . 30159 2 134 302 GLY . 30159 2 135 303 GLN . 30159 2 136 304 ARG . 30159 2 137 305 LEU . 30159 2 138 306 LEU . 30159 2 139 307 PHE . 30159 2 140 308 HIS . 30159 2 141 309 LEU . 30159 2 142 310 ASP . 30159 2 143 311 ASP . 30159 2 144 312 ALA . 30159 2 145 313 ASN . 30159 2 146 314 GLN . 30159 2 147 315 GLY . 30159 2 148 316 PRO . 30159 2 149 317 ASN . 30159 2 150 318 ALA . 30159 2 151 319 TRP . 30159 2 152 320 PRO . 30159 2 153 321 GLU . 30159 2 154 322 ARG . 30159 2 155 323 PHE . 30159 2 156 324 ILE . 30159 2 157 325 LEU . 30159 2 158 326 VAL . 30159 2 159 327 ALA . 30159 2 160 328 ASP . 30159 2 161 329 GLU . 30159 2 162 330 LEU . 30159 2 163 331 SER . 30159 2 164 332 ALA . 30159 2 165 333 THR . 30159 2 166 334 THR . 30159 2 167 335 LEU . 30159 2 168 336 ALA . 30159 2 169 337 GLU . 30159 2 170 338 LEU . 30159 2 171 339 PRO . 30159 2 172 340 GLN . 30159 2 173 341 ASP . 30159 2 174 342 ARG . 30159 2 175 343 LEU . 30159 2 176 344 VAL . 30159 2 177 345 GLY . 30159 2 178 346 VAL . 30159 2 179 347 VAL . 30159 2 180 348 VAL . 30159 2 181 349 ARG . 30159 2 182 350 ASP . 30159 2 183 351 GLY . 30159 2 184 352 ALA . 30159 2 185 353 ALA . 30159 2 186 354 ASN . 30159 2 187 355 SER . 30159 2 188 356 GLN . 30159 2 189 357 ALA . 30159 2 190 358 ALA . 30159 2 191 359 ILE . 30159 2 192 360 MET . 30159 2 193 361 VAL . 30159 2 194 362 ARG . 30159 2 195 363 ALA . 30159 2 196 364 LEU . 30159 2 197 365 GLY . 30159 2 198 366 ILE . 30159 2 199 367 PRO . 30159 2 200 368 THR . 30159 2 201 369 VAL . 30159 2 202 370 MET . 30159 2 203 371 GLY . 30159 2 204 372 ALA . 30159 2 205 373 ASP . 30159 2 206 374 ILE . 30159 2 207 375 GLN . 30159 2 208 376 PRO . 30159 2 209 377 SER . 30159 2 210 378 VAL . 30159 2 211 379 LEU . 30159 2 212 380 HIS . 30159 2 213 381 ARG . 30159 2 214 382 ARG . 30159 2 215 383 THR . 30159 2 216 384 LEU . 30159 2 217 385 ILE . 30159 2 218 386 VAL . 30159 2 219 387 ASP . 30159 2 220 388 GLY . 30159 2 221 389 TYR . 30159 2 222 390 ARG . 30159 2 223 391 GLY . 30159 2 224 392 GLU . 30159 2 225 393 LEU . 30159 2 226 394 LEU . 30159 2 227 395 VAL . 30159 2 228 396 ASP . 30159 2 229 397 PRO . 30159 2 230 398 GLU . 30159 2 231 399 PRO . 30159 2 232 400 VAL . 30159 2 233 401 LEU . 30159 2 234 402 LEU . 30159 2 235 403 GLN . 30159 2 236 404 GLU . 30159 2 237 405 TYR . 30159 2 238 406 GLN . 30159 2 239 407 ARG . 30159 2 240 408 LEU . 30159 2 241 409 ILE . 30159 2 242 410 SER . 30159 2 243 411 GLU . 30159 2 244 412 GLU . 30159 2 245 413 ILE . 30159 2 246 414 GLU . 30159 2 247 415 LEU . 30159 2 248 416 SER . 30159 2 249 417 ARG . 30159 2 250 418 LEU . 30159 2 251 419 ALA . 30159 2 252 420 GLU . 30159 2 253 421 ASP . 30159 2 254 422 ASP . 30159 2 255 423 VAL . 30159 2 256 424 ASN . 30159 2 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 30159 2 . ARG 2 2 30159 2 . ILE 3 3 30159 2 . ARG 4 4 30159 2 . ALA 5 5 30159 2 . LEU 6 6 30159 2 . PRO 7 7 30159 2 . ALA 8 8 30159 2 . ALA 9 9 30159 2 . PRO 10 10 30159 2 . GLY 11 11 30159 2 . VAL 12 12 30159 2 . ALA 13 13 30159 2 . ILE 14 14 30159 2 . ALA 15 15 30159 2 . GLU 16 16 30159 2 . GLY 17 17 30159 2 . TRP 18 18 30159 2 . GLN 19 19 30159 2 . ASP 20 20 30159 2 . ALA 21 21 30159 2 . THR 22 22 30159 2 . LEU 23 23 30159 2 . PRO 24 24 30159 2 . LEU 25 25 30159 2 . MET 26 26 30159 2 . GLU 27 27 30159 2 . GLN 28 28 30159 2 . VAL 29 29 30159 2 . TYR 30 30 30159 2 . GLN 31 31 30159 2 . ALA 32 32 30159 2 . SER 33 33 30159 2 . THR 34 34 30159 2 . LEU 35 35 30159 2 . ASP 36 36 30159 2 . PRO 37 37 30159 2 . ALA 38 38 30159 2 . LEU 39 39 30159 2 . GLU 40 40 30159 2 . ARG 41 41 30159 2 . GLU 42 42 30159 2 . ARG 43 43 30159 2 . LEU 44 44 30159 2 . THR 45 45 30159 2 . GLY 46 46 30159 2 . ALA 47 47 30159 2 . LEU 48 48 30159 2 . GLU 49 49 30159 2 . GLU 50 50 30159 2 . ALA 51 51 30159 2 . ALA 52 52 30159 2 . ASN 53 53 30159 2 . GLU 54 54 30159 2 . PHE 55 55 30159 2 . ARG 56 56 30159 2 . ARG 57 57 30159 2 . TYR 58 58 30159 2 . SER 59 59 30159 2 . LYS 60 60 30159 2 . ARG 61 61 30159 2 . PHE 62 62 30159 2 . ALA 63 63 30159 2 . ALA 64 64 30159 2 . GLY 65 65 30159 2 . ALA 66 66 30159 2 . GLN 67 67 30159 2 . LYS 68 68 30159 2 . GLU 69 69 30159 2 . THR 70 70 30159 2 . ALA 71 71 30159 2 . ALA 72 72 30159 2 . ILE 73 73 30159 2 . PHE 74 74 30159 2 . ASP 75 75 30159 2 . LEU 76 76 30159 2 . TYR 77 77 30159 2 . SER 78 78 30159 2 . HIS 79 79 30159 2 . LEU 80 80 30159 2 . LEU 81 81 30159 2 . SER 82 82 30159 2 . ASP 83 83 30159 2 . THR 84 84 30159 2 . ARG 85 85 30159 2 . LEU 86 86 30159 2 . ARG 87 87 30159 2 . ARG 88 88 30159 2 . GLU 89 89 30159 2 . LEU 90 90 30159 2 . PHE 91 91 30159 2 . ALA 92 92 30159 2 . GLU 93 93 30159 2 . VAL 94 94 30159 2 . ASP 95 95 30159 2 . LYS 96 96 30159 2 . GLY 97 97 30159 2 . SER 98 98 30159 2 . VAL 99 99 30159 2 . ALA 100 100 30159 2 . GLU 101 101 30159 2 . TRP 102 102 30159 2 . ALA 103 103 30159 2 . VAL 104 104 30159 2 . LYS 105 105 30159 2 . THR 106 106 30159 2 . VAL 107 107 30159 2 . ILE 108 108 30159 2 . GLU 109 109 30159 2 . LYS 110 110 30159 2 . PHE 111 111 30159 2 . ALA 112 112 30159 2 . GLU 113 113 30159 2 . GLN 114 114 30159 2 . PHE 115 115 30159 2 . ALA 116 116 30159 2 . ALA 117 117 30159 2 . LEU 118 118 30159 2 . SER 119 119 30159 2 . ASP 120 120 30159 2 . ASN 121 121 30159 2 . TYR 122 122 30159 2 . LEU 123 123 30159 2 . LYS 124 124 30159 2 . GLU 125 125 30159 2 . ARG 126 126 30159 2 . ALA 127 127 30159 2 . GLY 128 128 30159 2 . ASP 129 129 30159 2 . LEU 130 130 30159 2 . ARG 131 131 30159 2 . ALA 132 132 30159 2 . LEU 133 133 30159 2 . GLY 134 134 30159 2 . GLN 135 135 30159 2 . ARG 136 136 30159 2 . LEU 137 137 30159 2 . LEU 138 138 30159 2 . PHE 139 139 30159 2 . HIS 140 140 30159 2 . LEU 141 141 30159 2 . ASP 142 142 30159 2 . ASP 143 143 30159 2 . ALA 144 144 30159 2 . ASN 145 145 30159 2 . GLN 146 146 30159 2 . GLY 147 147 30159 2 . PRO 148 148 30159 2 . ASN 149 149 30159 2 . ALA 150 150 30159 2 . TRP 151 151 30159 2 . PRO 152 152 30159 2 . GLU 153 153 30159 2 . ARG 154 154 30159 2 . PHE 155 155 30159 2 . ILE 156 156 30159 2 . LEU 157 157 30159 2 . VAL 158 158 30159 2 . ALA 159 159 30159 2 . ASP 160 160 30159 2 . GLU 161 161 30159 2 . LEU 162 162 30159 2 . SER 163 163 30159 2 . ALA 164 164 30159 2 . THR 165 165 30159 2 . THR 166 166 30159 2 . LEU 167 167 30159 2 . ALA 168 168 30159 2 . GLU 169 169 30159 2 . LEU 170 170 30159 2 . PRO 171 171 30159 2 . GLN 172 172 30159 2 . ASP 173 173 30159 2 . ARG 174 174 30159 2 . LEU 175 175 30159 2 . VAL 176 176 30159 2 . GLY 177 177 30159 2 . VAL 178 178 30159 2 . VAL 179 179 30159 2 . VAL 180 180 30159 2 . ARG 181 181 30159 2 . ASP 182 182 30159 2 . GLY 183 183 30159 2 . ALA 184 184 30159 2 . ALA 185 185 30159 2 . ASN 186 186 30159 2 . SER 187 187 30159 2 . GLN 188 188 30159 2 . ALA 189 189 30159 2 . ALA 190 190 30159 2 . ILE 191 191 30159 2 . MET 192 192 30159 2 . VAL 193 193 30159 2 . ARG 194 194 30159 2 . ALA 195 195 30159 2 . LEU 196 196 30159 2 . GLY 197 197 30159 2 . ILE 198 198 30159 2 . PRO 199 199 30159 2 . THR 200 200 30159 2 . VAL 201 201 30159 2 . MET 202 202 30159 2 . GLY 203 203 30159 2 . ALA 204 204 30159 2 . ASP 205 205 30159 2 . ILE 206 206 30159 2 . GLN 207 207 30159 2 . PRO 208 208 30159 2 . SER 209 209 30159 2 . VAL 210 210 30159 2 . LEU 211 211 30159 2 . HIS 212 212 30159 2 . ARG 213 213 30159 2 . ARG 214 214 30159 2 . THR 215 215 30159 2 . LEU 216 216 30159 2 . ILE 217 217 30159 2 . VAL 218 218 30159 2 . ASP 219 219 30159 2 . GLY 220 220 30159 2 . TYR 221 221 30159 2 . ARG 222 222 30159 2 . GLY 223 223 30159 2 . GLU 224 224 30159 2 . LEU 225 225 30159 2 . LEU 226 226 30159 2 . VAL 227 227 30159 2 . ASP 228 228 30159 2 . PRO 229 229 30159 2 . GLU 230 230 30159 2 . PRO 231 231 30159 2 . VAL 232 232 30159 2 . LEU 233 233 30159 2 . LEU 234 234 30159 2 . GLN 235 235 30159 2 . GLU 236 236 30159 2 . TYR 237 237 30159 2 . GLN 238 238 30159 2 . ARG 239 239 30159 2 . LEU 240 240 30159 2 . ILE 241 241 30159 2 . SER 242 242 30159 2 . GLU 243 243 30159 2 . GLU 244 244 30159 2 . ILE 245 245 30159 2 . GLU 246 246 30159 2 . LEU 247 247 30159 2 . SER 248 248 30159 2 . ARG 249 249 30159 2 . LEU 250 250 30159 2 . ALA 251 251 30159 2 . GLU 252 252 30159 2 . ASP 253 253 30159 2 . ASP 254 254 30159 2 . VAL 255 255 30159 2 . ASN 256 256 30159 2 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 30159 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 83334 organism . 'Escherichia coli O157:H7' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . 'ptsO, Z4569, ECs4085' . 30159 1 2 2 $entity_2 . 83333 organism . 'Escherichia coli (strain K12)' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'ptsP, ygdF, ygdO, b2829, JW2797' . 30159 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 30159 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . pETDuet1 562 Escherichia coli ER2566 . . . . . Plasmid . . . 30159 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli ER2566 . . Plasmid . . pET28a . . . 30159 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30159 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-13C; U-15N; U-2H] EIN-Ntr, 240 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 1 2 EIN-Ntr '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 200 . . uM . . . . 30159 1 3 NPr [U-2H] . . 1 $entity_1 . . 240 . . uM . . . . 30159 1 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30159 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '240 uM [U-2H] EIN-Ntr, 200 uM [U-13C; U-15N; U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 2 2 EIN-Ntr [U-2H] . . 2 $entity_2 . . 240 . . uM . . . . 30159 2 3 NPr '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 200 . . uM . . . . 30159 2 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30159 _Sample.ID 3 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details ; 200 uM [U-13C; U-15N; U-2H] EIN-Ntr, 240 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 10 mg/mL Pf1 phage, 93% H2O/7% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 3 2 EIN-Ntr '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 200 . . uM . . . . 30159 3 3 NPr [U-2H] . . 1 $entity_1 . . 240 . . uM . . . . 30159 3 4 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 30159 3 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 3 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30159 _Sample.ID 4 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details ; 240 uM [U-2H] EIN-Ntr, 200 uM [U-13C; U-15N; U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 10 mg/mL Pf1 phage, 93% H2O/7% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 4 2 EIN-Ntr [U-2H] . . 2 $entity_2 . . 240 . . uM . . . . 30159 4 3 NPr '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 200 . . uM . . . . 30159 4 4 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 30159 4 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 4 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30159 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-13C; U-15N; U-2H] EIN-Ntr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 5 2 EIN-Ntr '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 200 . . uM . . . . 30159 5 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30159 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-13C; U-15N; U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM na EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA na . . . . . . 0.5 . . mM . . . . 30159 6 2 NPr '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 200 . . uM . . . . 30159 6 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 6 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 30159 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 uM [U-13C; U-15N; U-2H] EIN-Ntr, 100 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 7 2 EIN-Ntr '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 100 . . uM . . . . 30159 7 3 NPr [U-2H] . . 1 $entity_1 . . 100 . . uM . . . . 30159 7 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 7 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 30159 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-15N; U-2H] EIN-Ntr, 240 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 8 2 EIN-Ntr '[U-15N; U-2H]' . . 2 $entity_2 . . 200 . . uM . . . . 30159 8 3 NPr [U-2H] . . 1 $entity_1 . . 240 . . uM . . . . 30159 8 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 8 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 30159 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-15N; U-2H] EIN-Ntr, 240 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 9 2 EIN-Ntr '[U-15N; U-2H]' . . 2 $entity_2 . . 200 . . uM . . . . 30159 9 3 NPr [U-2H] . . 1 $entity_1 . . 240 . . uM . . . . 30159 9 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 9 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 30159 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details '240 uM [U-2H] EIN-Ntr, 200 uM [U-2H; U-15N] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 10 2 EIN-Ntr [U-2H] . . 2 $entity_2 . . 240 . . uM . . . . 30159 10 3 NPr '[U-2H; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 30159 10 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 10 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 10 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 30159 _Sample.ID 11 _Sample.Type solution _Sample.Sub_type . _Sample.Details '240 uM [U-2H] EIN-Ntr, 200 uM [U-2H; U-15N] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30159 11 2 EIN-Ntr [U-2H] . . 2 $entity_2 . . 240 . . uM . . . . 30159 11 3 NPr '[U-2H; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 30159 11 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 30159 11 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30159 11 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 30159 _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 'ionic strength' 108 . mM 30159 1 pH 7.5 . pH 30159 1 pressure 1 . atm 30159 1 temperature 300 . K 30159 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30159 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.4.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30159 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30159 _Software.ID 2 _Software.Name GAUSSIAN _Software.Version 9 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30159 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30159 _Software.ID 3 _Software.Name NMRPIPE _Software.Version 8.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30159 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30159 _Software.ID 4 _Software.Name TALOS-N _Software.Version 4.12 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30159 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30159 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30159 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30159 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.37.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE' . . 30159 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30159 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30159 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30159 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30159 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details Cryoprobe _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 30159 _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 NMR_spectrometer_1 Bruker Avance . 600 . . . 30159 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 30159 1 3 NMR_spectrometer_3 Bruker Avance . 900 . . . 30159 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 30159 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HN(CO)CACB TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 2 '3D HN(CA)CO TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 3 '3D HNCACB TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 4 '3D 1H-15N NOESY TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30159 1 5 '3D HNCO TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 6 '3D HNCA TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 7 '3D HNCA TROSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30159 1 8 '3D 1H-15N NOESY TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30159 1 9 '3D HN(CO)CACB TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 10 '3D HNCACB TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 11 '3D HNCA TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 12 '3D HNCACB' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30159 1 13 ARTSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30159 1 14 ARTSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30159 1 15 ARTSY no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30159 1 16 ARTSY no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30159 1 17 '2D 1H-15N HSQC TROSY' no . . . . . . . . . . 8 $sample_8 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30159 1 18 '2D 1H-15N HSQC TROSY' no . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30159 1 19 '2D 1H-15N HSQC TROSY' no . . . . . . . . . . 10 $sample_10 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30159 1 20 '2D 1H-15N HSQC TROSY' no . . . . . . . . . . 11 $sample_11 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30159 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30159 _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 0.000 internal indirect 0.25144953 . . . . . 30159 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30159 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30159 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30159 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HN(CO)CACB TROSY' . . . 30159 1 2 '3D HN(CA)CO TROSY' . . . 30159 1 3 '3D HNCACB TROSY' . . . 30159 1 4 '3D 1H-15N NOESY TROSY' . . . 30159 1 5 '3D HNCO TROSY' . . . 30159 1 6 '3D HNCA TROSY' . . . 30159 1 7 '3D HNCA TROSY' . . . 30159 1 8 '3D 1H-15N NOESY TROSY' . . . 30159 1 9 '3D HN(CO)CACB TROSY' . . . 30159 1 10 '3D HNCACB TROSY' . . . 30159 1 11 '3D HNCA TROSY' . . . 30159 1 12 '3D HNCACB' . . . 30159 1 13 ARTSY . . . 30159 1 14 ARTSY . . . 30159 1 15 ARTSY . . . 30159 1 16 ARTSY . . . 30159 1 17 '2D 1H-15N HSQC TROSY' . . . 30159 1 18 '2D 1H-15N HSQC TROSY' . . . 30159 1 19 '2D 1H-15N HSQC TROSY' . . . 30159 1 20 '2D 1H-15N HSQC TROSY' . . . 30159 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR CA C 13 62.170 0.092 . 1 . . . A 2 THR CA . 30159 1 2 . 1 1 2 2 THR CB C 13 69.341 0.092 . 1 . . . A 2 THR CB . 30159 1 3 . 1 1 3 3 VAL H H 1 8.985 0.006 . 1 . . . A 3 VAL H . 30159 1 4 . 1 1 3 3 VAL CA C 13 59.202 0.092 . 1 . . . A 3 VAL CA . 30159 1 5 . 1 1 3 3 VAL CB C 13 34.107 0.092 . 1 . . . A 3 VAL CB . 30159 1 6 . 1 1 3 3 VAL N N 15 123.198 0.043 . 1 . . . A 3 VAL N . 30159 1 7 . 1 1 4 4 LYS H H 1 8.301 0.006 . 1 . . . A 4 LYS H . 30159 1 8 . 1 1 4 4 LYS CA C 13 54.324 0.092 . 1 . . . A 4 LYS CA . 30159 1 9 . 1 1 4 4 LYS CB C 13 36.061 0.092 . 1 . . . A 4 LYS CB . 30159 1 10 . 1 1 4 4 LYS N N 15 120.290 0.043 . 1 . . . A 4 LYS N . 30159 1 11 . 1 1 5 5 GLN H H 1 8.795 0.006 . 1 . . . A 5 GLN H . 30159 1 12 . 1 1 5 5 GLN CA C 13 55.627 0.092 . 1 . . . A 5 GLN CA . 30159 1 13 . 1 1 5 5 GLN CB C 13 32.842 0.092 . 1 . . . A 5 GLN CB . 30159 1 14 . 1 1 5 5 GLN N N 15 122.056 0.043 . 1 . . . A 5 GLN N . 30159 1 15 . 1 1 6 6 THR H H 1 8.599 0.006 . 1 . . . A 6 THR H . 30159 1 16 . 1 1 6 6 THR CA C 13 61.625 0.092 . 1 . . . A 6 THR CA . 30159 1 17 . 1 1 6 6 THR CB C 13 69.460 0.092 . 1 . . . A 6 THR CB . 30159 1 18 . 1 1 6 6 THR N N 15 120.747 0.043 . 1 . . . A 6 THR N . 30159 1 19 . 1 1 7 7 VAL H H 1 9.219 0.006 . 1 . . . A 7 VAL H . 30159 1 20 . 1 1 7 7 VAL CA C 13 59.374 0.092 . 1 . . . A 7 VAL CA . 30159 1 21 . 1 1 7 7 VAL CB C 13 34.328 0.092 . 1 . . . A 7 VAL CB . 30159 1 22 . 1 1 7 7 VAL N N 15 124.911 0.043 . 1 . . . A 7 VAL N . 30159 1 23 . 1 1 8 8 GLU H H 1 8.416 0.006 . 1 . . . A 8 GLU H . 30159 1 24 . 1 1 8 8 GLU CA C 13 55.009 0.092 . 1 . . . A 8 GLU CA . 30159 1 25 . 1 1 8 8 GLU CB C 13 29.936 0.092 . 1 . . . A 8 GLU CB . 30159 1 26 . 1 1 8 8 GLU N N 15 125.398 0.043 . 1 . . . A 8 GLU N . 30159 1 27 . 1 1 9 9 ILE H H 1 8.377 0.006 . 1 . . . A 9 ILE H . 30159 1 28 . 1 1 9 9 ILE CA C 13 60.181 0.092 . 1 . . . A 9 ILE CA . 30159 1 29 . 1 1 9 9 ILE N N 15 124.896 0.043 . 1 . . . A 9 ILE N . 30159 1 30 . 1 1 10 10 THR H H 1 8.347 0.006 . 1 . . . A 10 THR H . 30159 1 31 . 1 1 10 10 THR CA C 13 61.269 0.092 . 1 . . . A 10 THR CA . 30159 1 32 . 1 1 10 10 THR CB C 13 69.552 0.092 . 1 . . . A 10 THR CB . 30159 1 33 . 1 1 10 10 THR N N 15 119.837 0.043 . 1 . . . A 10 THR N . 30159 1 34 . 1 1 12 12 LYS H H 1 8.345 0.006 . 1 . . . A 12 LYS H . 30159 1 35 . 1 1 12 12 LYS N N 15 121.780 0.043 . 1 . . . A 12 LYS N . 30159 1 36 . 1 1 13 13 LEU CA C 13 54.610 0.092 . 1 . . . A 13 LEU CA . 30159 1 37 . 1 1 13 13 LEU CB C 13 41.268 0.092 . 1 . . . A 13 LEU CB . 30159 1 38 . 1 1 14 14 GLY H H 1 8.191 0.006 . 1 . . . A 14 GLY H . 30159 1 39 . 1 1 14 14 GLY N N 15 108.412 0.043 . 1 . . . A 14 GLY N . 30159 1 40 . 1 1 16 16 HIS CA C 13 56.019 0.092 . 1 . . . A 16 HIS CA . 30159 1 41 . 1 1 16 16 HIS CB C 13 29.493 0.092 . 1 . . . A 16 HIS CB . 30159 1 42 . 1 1 17 17 ALA H H 1 8.004 0.006 . 1 . . . A 17 ALA H . 30159 1 43 . 1 1 17 17 ALA N N 15 123.807 0.043 . 1 . . . A 17 ALA N . 30159 1 44 . 1 1 21 21 MET H H 1 7.857 0.006 . 1 . . . A 21 MET H . 30159 1 45 . 1 1 21 21 MET N N 15 115.772 0.043 . 1 . . . A 21 MET N . 30159 1 46 . 1 1 25 25 GLU H H 1 8.148 0.006 . 1 . . . A 25 GLU H . 30159 1 47 . 1 1 25 25 GLU N N 15 118.237 0.043 . 1 . . . A 25 GLU N . 30159 1 48 . 1 1 26 26 LEU H H 1 8.261 0.006 . 1 . . . A 26 LEU H . 30159 1 49 . 1 1 26 26 LEU CA C 13 57.299 0.092 . 1 . . . A 26 LEU CA . 30159 1 50 . 1 1 26 26 LEU CB C 13 42.065 0.092 . 1 . . . A 26 LEU CB . 30159 1 51 . 1 1 26 26 LEU N N 15 121.417 0.043 . 1 . . . A 26 LEU N . 30159 1 52 . 1 1 27 27 MET H H 1 8.021 0.006 . 1 . . . A 27 MET H . 30159 1 53 . 1 1 27 27 MET CA C 13 55.188 0.092 . 1 . . . A 27 MET CA . 30159 1 54 . 1 1 27 27 MET N N 15 115.196 0.043 . 1 . . . A 27 MET N . 30159 1 55 . 1 1 28 28 GLN H H 1 7.325 0.006 . 1 . . . A 28 GLN H . 30159 1 56 . 1 1 28 28 GLN CA C 13 57.298 0.092 . 1 . . . A 28 GLN CA . 30159 1 57 . 1 1 28 28 GLN N N 15 118.267 0.043 . 1 . . . A 28 GLN N . 30159 1 58 . 1 1 29 29 GLY H H 1 7.479 0.006 . 1 . . . A 29 GLY H . 30159 1 59 . 1 1 29 29 GLY CA C 13 44.387 0.092 . 1 . . . A 29 GLY CA . 30159 1 60 . 1 1 29 29 GLY N N 15 103.824 0.043 . 1 . . . A 29 GLY N . 30159 1 61 . 1 1 30 30 PHE H H 1 7.246 0.006 . 1 . . . A 30 PHE H . 30159 1 62 . 1 1 30 30 PHE CA C 13 56.394 0.092 . 1 . . . A 30 PHE CA . 30159 1 63 . 1 1 30 30 PHE CB C 13 42.591 0.092 . 1 . . . A 30 PHE CB . 30159 1 64 . 1 1 30 30 PHE N N 15 116.439 0.043 . 1 . . . A 30 PHE N . 30159 1 65 . 1 1 31 31 ASP H H 1 9.332 0.006 . 1 . . . A 31 ASP H . 30159 1 66 . 1 1 31 31 ASP CA C 13 51.612 0.092 . 1 . . . A 31 ASP CA . 30159 1 67 . 1 1 31 31 ASP CB C 13 37.758 0.092 . 1 . . . A 31 ASP CB . 30159 1 68 . 1 1 31 31 ASP N N 15 123.405 0.043 . 1 . . . A 31 ASP N . 30159 1 69 . 1 1 32 32 ALA H H 1 7.679 0.006 . 1 . . . A 32 ALA H . 30159 1 70 . 1 1 32 32 ALA CA C 13 51.311 0.092 . 1 . . . A 32 ALA CA . 30159 1 71 . 1 1 32 32 ALA CB C 13 19.335 0.092 . 1 . . . A 32 ALA CB . 30159 1 72 . 1 1 32 32 ALA N N 15 122.193 0.043 . 1 . . . A 32 ALA N . 30159 1 73 . 1 1 33 33 GLU H H 1 8.730 0.006 . 1 . . . A 33 GLU H . 30159 1 74 . 1 1 33 33 GLU CA C 13 54.807 0.092 . 1 . . . A 33 GLU CA . 30159 1 75 . 1 1 33 33 GLU CB C 13 30.311 0.092 . 1 . . . A 33 GLU CB . 30159 1 76 . 1 1 33 33 GLU N N 15 121.244 0.043 . 1 . . . A 33 GLU N . 30159 1 77 . 1 1 35 35 LEU H H 1 9.307 0.006 . 1 . . . A 35 LEU H . 30159 1 78 . 1 1 35 35 LEU N N 15 130.782 0.043 . 1 . . . A 35 LEU N . 30159 1 79 . 1 1 37 37 ARG H H 1 9.039 0.006 . 1 . . . A 37 ARG H . 30159 1 80 . 1 1 37 37 ARG CA C 13 53.790 0.092 . 1 . . . A 37 ARG CA . 30159 1 81 . 1 1 37 37 ARG CB C 13 33.242 0.092 . 1 . . . A 37 ARG CB . 30159 1 82 . 1 1 37 37 ARG N N 15 120.689 0.043 . 1 . . . A 37 ARG N . 30159 1 83 . 1 1 38 38 ASN H H 1 8.366 0.006 . 1 . . . A 38 ASN H . 30159 1 84 . 1 1 38 38 ASN CA C 13 50.373 0.092 . 1 . . . A 38 ASN CA . 30159 1 85 . 1 1 38 38 ASN CB C 13 39.136 0.092 . 1 . . . A 38 ASN CB . 30159 1 86 . 1 1 38 38 ASN N N 15 122.289 0.043 . 1 . . . A 38 ASN N . 30159 1 87 . 1 1 39 39 ASP H H 1 8.818 0.006 . 1 . . . A 39 ASP H . 30159 1 88 . 1 1 39 39 ASP CA C 13 55.592 0.092 . 1 . . . A 39 ASP CA . 30159 1 89 . 1 1 39 39 ASP CB C 13 39.668 0.092 . 1 . . . A 39 ASP CB . 30159 1 90 . 1 1 39 39 ASP N N 15 118.075 0.043 . 1 . . . A 39 ASP N . 30159 1 91 . 1 1 40 40 GLU H H 1 7.563 0.006 . 1 . . . A 40 GLU H . 30159 1 92 . 1 1 40 40 GLU CA C 13 55.498 0.092 . 1 . . . A 40 GLU CA . 30159 1 93 . 1 1 40 40 GLU CB C 13 29.167 0.092 . 1 . . . A 40 GLU CB . 30159 1 94 . 1 1 40 40 GLU N N 15 118.040 0.043 . 1 . . . A 40 GLU N . 30159 1 95 . 1 1 41 41 GLY H H 1 8.106 0.006 . 1 . . . A 41 GLY H . 30159 1 96 . 1 1 41 41 GLY CA C 13 44.591 0.092 . 1 . . . A 41 GLY CA . 30159 1 97 . 1 1 41 41 GLY N N 15 108.215 0.043 . 1 . . . A 41 GLY N . 30159 1 98 . 1 1 42 42 THR H H 1 7.941 0.006 . 1 . . . A 42 THR H . 30159 1 99 . 1 1 42 42 THR CA C 13 63.045 0.092 . 1 . . . A 42 THR CA . 30159 1 100 . 1 1 42 42 THR CB C 13 67.818 0.092 . 1 . . . A 42 THR CB . 30159 1 101 . 1 1 42 42 THR N N 15 121.453 0.043 . 1 . . . A 42 THR N . 30159 1 102 . 1 1 43 43 GLU H H 1 8.520 0.006 . 1 . . . A 43 GLU H . 30159 1 103 . 1 1 43 43 GLU CA C 13 53.941 0.092 . 1 . . . A 43 GLU CA . 30159 1 104 . 1 1 43 43 GLU CB C 13 32.207 0.092 . 1 . . . A 43 GLU CB . 30159 1 105 . 1 1 43 43 GLU N N 15 125.709 0.043 . 1 . . . A 43 GLU N . 30159 1 106 . 1 1 58 58 ALA H H 1 7.810 0.006 . 1 . . . A 58 ALA H . 30159 1 107 . 1 1 58 58 ALA N N 15 123.877 0.043 . 1 . . . A 58 ALA N . 30159 1 108 . 1 1 61 61 ARG CA C 13 55.598 0.092 . 1 . . . A 61 ARG CA . 30159 1 109 . 1 1 62 62 GLN H H 1 8.183 0.006 . 1 . . . A 62 GLN H . 30159 1 110 . 1 1 62 62 GLN CA C 13 54.669 0.092 . 1 . . . A 62 GLN CA . 30159 1 111 . 1 1 62 62 GLN CB C 13 30.491 0.092 . 1 . . . A 62 GLN CB . 30159 1 112 . 1 1 62 62 GLN N N 15 118.237 0.043 . 1 . . . A 62 GLN N . 30159 1 113 . 1 1 63 63 ILE H H 1 8.842 0.006 . 1 . . . A 63 ILE H . 30159 1 114 . 1 1 63 63 ILE CA C 13 57.933 0.092 . 1 . . . A 63 ILE CA . 30159 1 115 . 1 1 63 63 ILE CB C 13 40.474 0.092 . 1 . . . A 63 ILE CB . 30159 1 116 . 1 1 63 63 ILE N N 15 122.493 0.043 . 1 . . . A 63 ILE N . 30159 1 117 . 1 1 64 64 GLU CA C 13 54.848 0.092 . 1 . . . A 64 GLU CA . 30159 1 118 . 1 1 64 64 GLU CB C 13 31.223 0.092 . 1 . . . A 64 GLU CB . 30159 1 119 . 1 1 65 65 VAL H H 1 8.825 0.006 . 1 . . . A 65 VAL H . 30159 1 120 . 1 1 65 65 VAL CA C 13 60.332 0.092 . 1 . . . A 65 VAL CA . 30159 1 121 . 1 1 65 65 VAL CB C 13 31.888 0.092 . 1 . . . A 65 VAL CB . 30159 1 122 . 1 1 65 65 VAL N N 15 126.607 0.043 . 1 . . . A 65 VAL N . 30159 1 123 . 1 1 66 66 GLU H H 1 9.033 0.006 . 1 . . . A 66 GLU H . 30159 1 124 . 1 1 66 66 GLU CA C 13 53.590 0.092 . 1 . . . A 66 GLU CA . 30159 1 125 . 1 1 66 66 GLU CB C 13 32.610 0.092 . 1 . . . A 66 GLU CB . 30159 1 126 . 1 1 66 66 GLU N N 15 126.716 0.043 . 1 . . . A 66 GLU N . 30159 1 127 . 1 1 67 67 ALA H H 1 9.187 0.006 . 1 . . . A 67 ALA H . 30159 1 128 . 1 1 67 67 ALA CA C 13 49.689 0.092 . 1 . . . A 67 ALA CA . 30159 1 129 . 1 1 67 67 ALA CB C 13 23.427 0.092 . 1 . . . A 67 ALA CB . 30159 1 130 . 1 1 67 67 ALA N N 15 127.441 0.043 . 1 . . . A 67 ALA N . 30159 1 131 . 1 1 68 68 THR H H 1 8.703 0.006 . 1 . . . A 68 THR H . 30159 1 132 . 1 1 68 68 THR CA C 13 60.836 0.092 . 1 . . . A 68 THR CA . 30159 1 133 . 1 1 68 68 THR CB C 13 71.618 0.092 . 1 . . . A 68 THR CB . 30159 1 134 . 1 1 68 68 THR N N 15 116.840 0.043 . 1 . . . A 68 THR N . 30159 1 135 . 1 1 69 69 GLY H H 1 10.244 0.006 . 1 . . . A 69 GLY H . 30159 1 136 . 1 1 69 69 GLY CA C 13 44.494 0.092 . 1 . . . A 69 GLY CA . 30159 1 137 . 1 1 69 69 GLY N N 15 119.836 0.043 . 1 . . . A 69 GLY N . 30159 1 138 . 1 1 70 70 PRO CA C 13 65.443 0.092 . 1 . . . A 70 PRO CA . 30159 1 139 . 1 1 71 71 GLN H H 1 8.215 0.006 . 1 . . . A 71 GLN H . 30159 1 140 . 1 1 71 71 GLN CA C 13 53.747 0.092 . 1 . . . A 71 GLN CA . 30159 1 141 . 1 1 71 71 GLN CB C 13 28.287 0.092 . 1 . . . A 71 GLN CB . 30159 1 142 . 1 1 71 71 GLN N N 15 112.457 0.043 . 1 . . . A 71 GLN N . 30159 1 143 . 1 1 72 72 GLU H H 1 7.814 0.006 . 1 . . . A 72 GLU H . 30159 1 144 . 1 1 72 72 GLU CA C 13 59.167 0.092 . 1 . . . A 72 GLU CA . 30159 1 145 . 1 1 72 72 GLU CB C 13 26.257 0.092 . 1 . . . A 72 GLU CB . 30159 1 146 . 1 1 72 72 GLU N N 15 118.541 0.043 . 1 . . . A 72 GLU N . 30159 1 147 . 1 1 73 73 GLU H H 1 8.407 0.006 . 1 . . . A 73 GLU H . 30159 1 148 . 1 1 73 73 GLU CA C 13 60.095 0.092 . 1 . . . A 73 GLU CA . 30159 1 149 . 1 1 73 73 GLU CB C 13 28.164 0.092 . 1 . . . A 73 GLU CB . 30159 1 150 . 1 1 73 73 GLU N N 15 119.794 0.043 . 1 . . . A 73 GLU N . 30159 1 151 . 1 1 74 74 GLU H H 1 9.013 0.006 . 1 . . . A 74 GLU H . 30159 1 152 . 1 1 74 74 GLU CA C 13 59.132 0.092 . 1 . . . A 74 GLU CA . 30159 1 153 . 1 1 74 74 GLU CB C 13 28.352 0.092 . 1 . . . A 74 GLU CB . 30159 1 154 . 1 1 74 74 GLU N N 15 122.087 0.043 . 1 . . . A 74 GLU N . 30159 1 155 . 1 1 75 75 ALA H H 1 8.276 0.006 . 1 . . . A 75 ALA H . 30159 1 156 . 1 1 75 75 ALA CA C 13 53.734 0.092 . 1 . . . A 75 ALA CA . 30159 1 157 . 1 1 75 75 ALA CB C 13 17.018 0.092 . 1 . . . A 75 ALA CB . 30159 1 158 . 1 1 75 75 ALA N N 15 123.021 0.043 . 1 . . . A 75 ALA N . 30159 1 159 . 1 1 76 76 LEU H H 1 7.722 0.006 . 1 . . . A 76 LEU H . 30159 1 160 . 1 1 76 76 LEU CA C 13 58.054 0.092 . 1 . . . A 76 LEU CA . 30159 1 161 . 1 1 76 76 LEU CB C 13 40.636 0.092 . 1 . . . A 76 LEU CB . 30159 1 162 . 1 1 76 76 LEU N N 15 117.226 0.043 . 1 . . . A 76 LEU N . 30159 1 163 . 1 1 77 77 ALA H H 1 7.469 0.006 . 1 . . . A 77 ALA H . 30159 1 164 . 1 1 77 77 ALA CA C 13 54.445 0.092 . 1 . . . A 77 ALA CA . 30159 1 165 . 1 1 77 77 ALA CB C 13 16.764 0.092 . 1 . . . A 77 ALA CB . 30159 1 166 . 1 1 77 77 ALA N N 15 117.905 0.043 . 1 . . . A 77 ALA N . 30159 1 167 . 1 1 78 78 ALA H H 1 7.598 0.006 . 1 . . . A 78 ALA H . 30159 1 168 . 1 1 78 78 ALA CA C 13 54.265 0.092 . 1 . . . A 78 ALA CA . 30159 1 169 . 1 1 78 78 ALA CB C 13 18.173 0.092 . 1 . . . A 78 ALA CB . 30159 1 170 . 1 1 78 78 ALA N N 15 121.166 0.043 . 1 . . . A 78 ALA N . 30159 1 171 . 1 1 79 79 VAL H H 1 8.011 0.006 . 1 . . . A 79 VAL H . 30159 1 172 . 1 1 79 79 VAL CA C 13 66.211 0.092 . 1 . . . A 79 VAL CA . 30159 1 173 . 1 1 79 79 VAL CB C 13 30.701 0.092 . 1 . . . A 79 VAL CB . 30159 1 174 . 1 1 79 79 VAL N N 15 120.396 0.043 . 1 . . . A 79 VAL N . 30159 1 175 . 1 1 80 80 ILE H H 1 8.284 0.006 . 1 . . . A 80 ILE H . 30159 1 176 . 1 1 80 80 ILE CA C 13 64.183 0.092 . 1 . . . A 80 ILE CA . 30159 1 177 . 1 1 80 80 ILE CB C 13 35.855 0.092 . 1 . . . A 80 ILE CB . 30159 1 178 . 1 1 80 80 ILE N N 15 119.247 0.043 . 1 . . . A 80 ILE N . 30159 1 179 . 1 1 81 81 ALA H H 1 7.755 0.006 . 1 . . . A 81 ALA H . 30159 1 180 . 1 1 81 81 ALA CA C 13 54.113 0.092 . 1 . . . A 81 ALA CA . 30159 1 181 . 1 1 81 81 ALA CB C 13 17.111 0.092 . 1 . . . A 81 ALA CB . 30159 1 182 . 1 1 81 81 ALA N N 15 120.197 0.043 . 1 . . . A 81 ALA N . 30159 1 183 . 1 1 82 82 LEU H H 1 7.584 0.006 . 1 . . . A 82 LEU H . 30159 1 184 . 1 1 82 82 LEU CA C 13 57.184 0.092 . 1 . . . A 82 LEU CA . 30159 1 185 . 1 1 82 82 LEU CB C 13 40.262 0.092 . 1 . . . A 82 LEU CB . 30159 1 186 . 1 1 82 82 LEU N N 15 120.189 0.043 . 1 . . . A 82 LEU N . 30159 1 187 . 1 1 83 83 PHE H H 1 7.772 0.006 . 1 . . . A 83 PHE H . 30159 1 188 . 1 1 83 83 PHE CA C 13 59.173 0.092 . 1 . . . A 83 PHE CA . 30159 1 189 . 1 1 83 83 PHE N N 15 116.470 0.043 . 1 . . . A 83 PHE N . 30159 1 190 . 1 1 84 84 ASN H H 1 8.079 0.006 . 1 . . . A 84 ASN H . 30159 1 191 . 1 1 84 84 ASN CA C 13 53.007 0.092 . 1 . . . A 84 ASN CA . 30159 1 192 . 1 1 84 84 ASN CB C 13 39.323 0.092 . 1 . . . A 84 ASN CB . 30159 1 193 . 1 1 84 84 ASN N N 15 118.891 0.043 . 1 . . . A 84 ASN N . 30159 1 194 . 1 1 85 85 SER H H 1 7.633 0.006 . 1 . . . A 85 SER H . 30159 1 195 . 1 1 85 85 SER CA C 13 60.352 0.092 . 1 . . . A 85 SER CA . 30159 1 196 . 1 1 85 85 SER CB C 13 64.661 0.092 . 1 . . . A 85 SER CB . 30159 1 197 . 1 1 85 85 SER N N 15 121.808 0.043 . 1 . . . A 85 SER N . 30159 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30159 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HN(CO)CACB TROSY' . . . 30159 2 2 '3D HN(CA)CO TROSY' . . . 30159 2 3 '3D HNCACB TROSY' . . . 30159 2 4 '3D 1H-15N NOESY TROSY' . . . 30159 2 5 '3D HNCO TROSY' . . . 30159 2 6 '3D HNCA TROSY' . . . 30159 2 7 '3D HNCA TROSY' . . . 30159 2 8 '3D 1H-15N NOESY TROSY' . . . 30159 2 9 '3D HN(CO)CACB TROSY' . . . 30159 2 10 '3D HNCACB TROSY' . . . 30159 2 11 '3D HNCA TROSY' . . . 30159 2 12 '3D HNCACB' . . . 30159 2 13 ARTSY . . . 30159 2 14 ARTSY . . . 30159 2 15 ARTSY . . . 30159 2 16 ARTSY . . . 30159 2 17 '2D 1H-15N HSQC TROSY' . . . 30159 2 18 '2D 1H-15N HSQC TROSY' . . . 30159 2 19 '2D 1H-15N HSQC TROSY' . . . 30159 2 20 '2D 1H-15N HSQC TROSY' . . . 30159 2 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 2 2 ARG C C 13 175.091 0.033 . 1 . . . B 170 ARG C . 30159 2 2 . 2 2 2 2 ARG CA C 13 55.395 0.033 . 1 . . . B 170 ARG CA . 30159 2 3 . 2 2 2 2 ARG CB C 13 31.434 0.033 . 1 . . . B 170 ARG CB . 30159 2 4 . 2 2 3 3 ILE H H 1 9.371 0.005 . 1 . . . B 171 ILE H . 30159 2 5 . 2 2 3 3 ILE C C 13 174.795 0.033 . 1 . . . B 171 ILE C . 30159 2 6 . 2 2 3 3 ILE CA C 13 59.845 0.033 . 1 . . . B 171 ILE CA . 30159 2 7 . 2 2 3 3 ILE CB C 13 39.531 0.033 . 1 . . . B 171 ILE CB . 30159 2 8 . 2 2 3 3 ILE N N 15 127.719 0.036 . 1 . . . B 171 ILE N . 30159 2 9 . 2 2 4 4 ARG H H 1 8.682 0.005 . 1 . . . B 172 ARG H . 30159 2 10 . 2 2 4 4 ARG C C 13 174.907 0.033 . 1 . . . B 172 ARG C . 30159 2 11 . 2 2 4 4 ARG CA C 13 55.945 0.033 . 1 . . . B 172 ARG CA . 30159 2 12 . 2 2 4 4 ARG CB C 13 29.595 0.033 . 1 . . . B 172 ARG CB . 30159 2 13 . 2 2 4 4 ARG N N 15 126.931 0.036 . 1 . . . B 172 ARG N . 30159 2 14 . 2 2 5 5 ALA H H 1 8.508 0.005 . 1 . . . B 173 ALA H . 30159 2 15 . 2 2 5 5 ALA C C 13 174.592 0.033 . 1 . . . B 173 ALA C . 30159 2 16 . 2 2 5 5 ALA CA C 13 50.905 0.033 . 1 . . . B 173 ALA CA . 30159 2 17 . 2 2 5 5 ALA CB C 13 19.440 0.033 . 1 . . . B 173 ALA CB . 30159 2 18 . 2 2 5 5 ALA N N 15 129.253 0.036 . 1 . . . B 173 ALA N . 30159 2 19 . 2 2 6 6 LEU H H 1 8.797 0.005 . 1 . . . B 174 LEU H . 30159 2 20 . 2 2 6 6 LEU C C 13 175.942 0.033 . 1 . . . B 174 LEU C . 30159 2 21 . 2 2 6 6 LEU CA C 13 51.719 0.033 . 1 . . . B 174 LEU CA . 30159 2 22 . 2 2 6 6 LEU CB C 13 41.764 0.033 . 1 . . . B 174 LEU CB . 30159 2 23 . 2 2 6 6 LEU N N 15 120.917 0.036 . 1 . . . B 174 LEU N . 30159 2 24 . 2 2 7 7 PRO C C 13 175.685 0.033 . 1 . . . B 175 PRO C . 30159 2 25 . 2 2 7 7 PRO CA C 13 62.420 0.033 . 1 . . . B 175 PRO CA . 30159 2 26 . 2 2 7 7 PRO CB C 13 30.518 0.033 . 1 . . . B 175 PRO CB . 30159 2 27 . 2 2 8 8 ALA H H 1 8.166 0.005 . 1 . . . B 176 ALA H . 30159 2 28 . 2 2 8 8 ALA C C 13 176.155 0.033 . 1 . . . B 176 ALA C . 30159 2 29 . 2 2 8 8 ALA CA C 13 52.273 0.033 . 1 . . . B 176 ALA CA . 30159 2 30 . 2 2 8 8 ALA CB C 13 19.813 0.033 . 1 . . . B 176 ALA CB . 30159 2 31 . 2 2 8 8 ALA N N 15 126.306 0.036 . 1 . . . B 176 ALA N . 30159 2 32 . 2 2 9 9 ALA H H 1 7.876 0.005 . 1 . . . B 177 ALA H . 30159 2 33 . 2 2 9 9 ALA C C 13 174.556 0.033 . 1 . . . B 177 ALA C . 30159 2 34 . 2 2 9 9 ALA CA C 13 50.332 0.033 . 1 . . . B 177 ALA CA . 30159 2 35 . 2 2 9 9 ALA CB C 13 19.497 0.033 . 1 . . . B 177 ALA CB . 30159 2 36 . 2 2 9 9 ALA N N 15 119.901 0.036 . 1 . . . B 177 ALA N . 30159 2 37 . 2 2 11 11 GLY C C 13 171.425 0.033 . 1 . . . B 179 GLY C . 30159 2 38 . 2 2 11 11 GLY CA C 13 43.490 0.033 . 1 . . . B 179 GLY CA . 30159 2 39 . 2 2 12 12 VAL H H 1 8.362 0.005 . 1 . . . B 180 VAL H . 30159 2 40 . 2 2 12 12 VAL C C 13 174.373 0.033 . 1 . . . B 180 VAL C . 30159 2 41 . 2 2 12 12 VAL CA C 13 59.915 0.033 . 1 . . . B 180 VAL CA . 30159 2 42 . 2 2 12 12 VAL CB C 13 34.375 0.033 . 1 . . . B 180 VAL CB . 30159 2 43 . 2 2 12 12 VAL N N 15 117.822 0.036 . 1 . . . B 180 VAL N . 30159 2 44 . 2 2 13 13 ALA H H 1 8.516 0.005 . 1 . . . B 181 ALA H . 30159 2 45 . 2 2 13 13 ALA C C 13 174.478 0.033 . 1 . . . B 181 ALA C . 30159 2 46 . 2 2 13 13 ALA CA C 13 50.610 0.033 . 1 . . . B 181 ALA CA . 30159 2 47 . 2 2 13 13 ALA CB C 13 22.998 0.033 . 1 . . . B 181 ALA CB . 30159 2 48 . 2 2 13 13 ALA N N 15 126.259 0.036 . 1 . . . B 181 ALA N . 30159 2 49 . 2 2 14 14 ILE H H 1 8.511 0.005 . 1 . . . B 182 ILE H . 30159 2 50 . 2 2 14 14 ILE C C 13 175.681 0.033 . 1 . . . B 182 ILE C . 30159 2 51 . 2 2 14 14 ILE CA C 13 59.907 0.033 . 1 . . . B 182 ILE CA . 30159 2 52 . 2 2 14 14 ILE CB C 13 39.657 0.033 . 1 . . . B 182 ILE CB . 30159 2 53 . 2 2 14 14 ILE N N 15 120.285 0.036 . 1 . . . B 182 ILE N . 30159 2 54 . 2 2 15 15 ALA H H 1 8.813 0.005 . 1 . . . B 183 ALA H . 30159 2 55 . 2 2 15 15 ALA C C 13 174.544 0.033 . 1 . . . B 183 ALA C . 30159 2 56 . 2 2 15 15 ALA CA C 13 51.026 0.033 . 1 . . . B 183 ALA CA . 30159 2 57 . 2 2 15 15 ALA CB C 13 20.656 0.033 . 1 . . . B 183 ALA CB . 30159 2 58 . 2 2 15 15 ALA N N 15 126.703 0.036 . 1 . . . B 183 ALA N . 30159 2 59 . 2 2 16 16 GLU H H 1 8.038 0.005 . 1 . . . B 184 GLU H . 30159 2 60 . 2 2 16 16 GLU C C 13 177.139 0.033 . 1 . . . B 184 GLU C . 30159 2 61 . 2 2 16 16 GLU CA C 13 55.106 0.033 . 1 . . . B 184 GLU CA . 30159 2 62 . 2 2 16 16 GLU CB C 13 30.903 0.033 . 1 . . . B 184 GLU CB . 30159 2 63 . 2 2 16 16 GLU N N 15 118.285 0.036 . 1 . . . B 184 GLU N . 30159 2 64 . 2 2 17 17 GLY H H 1 9.379 0.005 . 1 . . . B 185 GLY H . 30159 2 65 . 2 2 17 17 GLY C C 13 174.506 0.033 . 1 . . . B 185 GLY C . 30159 2 66 . 2 2 17 17 GLY CA C 13 45.463 0.033 . 1 . . . B 185 GLY CA . 30159 2 67 . 2 2 17 17 GLY N N 15 110.038 0.036 . 1 . . . B 185 GLY N . 30159 2 68 . 2 2 18 18 TRP H H 1 9.499 0.005 . 1 . . . B 186 TRP H . 30159 2 69 . 2 2 18 18 TRP C C 13 174.176 0.033 . 1 . . . B 186 TRP C . 30159 2 70 . 2 2 18 18 TRP CA C 13 57.317 0.033 . 1 . . . B 186 TRP CA . 30159 2 71 . 2 2 18 18 TRP N N 15 129.216 0.036 . 1 . . . B 186 TRP N . 30159 2 72 . 2 2 19 19 GLN H H 1 10.203 0.005 . 1 . . . B 187 GLN H . 30159 2 73 . 2 2 19 19 GLN C C 13 173.970 0.033 . 1 . . . B 187 GLN C . 30159 2 74 . 2 2 19 19 GLN CA C 13 53.914 0.033 . 1 . . . B 187 GLN CA . 30159 2 75 . 2 2 19 19 GLN CB C 13 27.999 0.033 . 1 . . . B 187 GLN CB . 30159 2 76 . 2 2 19 19 GLN N N 15 131.560 0.036 . 1 . . . B 187 GLN N . 30159 2 77 . 2 2 20 20 ASP H H 1 8.141 0.005 . 1 . . . B 188 ASP H . 30159 2 78 . 2 2 20 20 ASP C C 13 175.983 0.033 . 1 . . . B 188 ASP C . 30159 2 79 . 2 2 20 20 ASP CA C 13 53.608 0.033 . 1 . . . B 188 ASP CA . 30159 2 80 . 2 2 20 20 ASP CB C 13 40.712 0.033 . 1 . . . B 188 ASP CB . 30159 2 81 . 2 2 20 20 ASP N N 15 122.731 0.036 . 1 . . . B 188 ASP N . 30159 2 82 . 2 2 21 21 ALA H H 1 7.953 0.005 . 1 . . . B 189 ALA H . 30159 2 83 . 2 2 21 21 ALA C C 13 177.645 0.033 . 1 . . . B 189 ALA C . 30159 2 84 . 2 2 21 21 ALA CA C 13 51.472 0.033 . 1 . . . B 189 ALA CA . 30159 2 85 . 2 2 21 21 ALA CB C 13 18.237 0.033 . 1 . . . B 189 ALA CB . 30159 2 86 . 2 2 21 21 ALA N N 15 129.558 0.036 . 1 . . . B 189 ALA N . 30159 2 87 . 2 2 22 22 THR H H 1 8.040 0.005 . 1 . . . B 190 THR H . 30159 2 88 . 2 2 22 22 THR C C 13 174.614 0.033 . 1 . . . B 190 THR C . 30159 2 89 . 2 2 22 22 THR CA C 13 63.510 0.033 . 1 . . . B 190 THR CA . 30159 2 90 . 2 2 22 22 THR CB C 13 68.563 0.033 . 1 . . . B 190 THR CB . 30159 2 91 . 2 2 22 22 THR N N 15 115.671 0.036 . 1 . . . B 190 THR N . 30159 2 92 . 2 2 23 23 LEU H H 1 8.278 0.005 . 1 . . . B 191 LEU H . 30159 2 93 . 2 2 23 23 LEU C C 13 175.527 0.033 . 1 . . . B 191 LEU C . 30159 2 94 . 2 2 23 23 LEU CA C 13 52.575 0.033 . 1 . . . B 191 LEU CA . 30159 2 95 . 2 2 23 23 LEU CB C 13 41.228 0.033 . 1 . . . B 191 LEU CB . 30159 2 96 . 2 2 23 23 LEU N N 15 128.163 0.036 . 1 . . . B 191 LEU N . 30159 2 97 . 2 2 24 24 PRO C C 13 177.007 0.033 . 1 . . . B 192 PRO C . 30159 2 98 . 2 2 24 24 PRO CA C 13 61.936 0.033 . 1 . . . B 192 PRO CA . 30159 2 99 . 2 2 24 24 PRO CB C 13 29.646 0.033 . 1 . . . B 192 PRO CB . 30159 2 100 . 2 2 25 25 LEU H H 1 8.356 0.005 . 1 . . . B 193 LEU H . 30159 2 101 . 2 2 25 25 LEU C C 13 179.652 0.033 . 1 . . . B 193 LEU C . 30159 2 102 . 2 2 25 25 LEU CA C 13 56.365 0.033 . 1 . . . B 193 LEU CA . 30159 2 103 . 2 2 25 25 LEU CB C 13 41.370 0.033 . 1 . . . B 193 LEU CB . 30159 2 104 . 2 2 25 25 LEU N N 15 123.255 0.036 . 1 . . . B 193 LEU N . 30159 2 105 . 2 2 26 26 MET H H 1 8.976 0.005 . 1 . . . B 194 MET H . 30159 2 106 . 2 2 26 26 MET C C 13 178.019 0.033 . 1 . . . B 194 MET C . 30159 2 107 . 2 2 26 26 MET CA C 13 57.480 0.033 . 1 . . . B 194 MET CA . 30159 2 108 . 2 2 26 26 MET CB C 13 31.497 0.033 . 1 . . . B 194 MET CB . 30159 2 109 . 2 2 26 26 MET N N 15 119.165 0.036 . 1 . . . B 194 MET N . 30159 2 110 . 2 2 27 27 GLU H H 1 8.272 0.005 . 1 . . . B 195 GLU H . 30159 2 111 . 2 2 27 27 GLU C C 13 176.924 0.033 . 1 . . . B 195 GLU C . 30159 2 112 . 2 2 27 27 GLU CA C 13 57.295 0.033 . 1 . . . B 195 GLU CA . 30159 2 113 . 2 2 27 27 GLU CB C 13 28.755 0.033 . 1 . . . B 195 GLU CB . 30159 2 114 . 2 2 27 27 GLU N N 15 116.949 0.036 . 1 . . . B 195 GLU N . 30159 2 115 . 2 2 28 28 GLN H H 1 7.466 0.005 . 1 . . . B 196 GLN H . 30159 2 116 . 2 2 28 28 GLN C C 13 175.217 0.033 . 1 . . . B 196 GLN C . 30159 2 117 . 2 2 28 28 GLN CA C 13 54.726 0.033 . 1 . . . B 196 GLN CA . 30159 2 118 . 2 2 28 28 GLN CB C 13 28.486 0.033 . 1 . . . B 196 GLN CB . 30159 2 119 . 2 2 28 28 GLN N N 15 116.273 0.036 . 1 . . . B 196 GLN N . 30159 2 120 . 2 2 29 29 VAL H H 1 7.124 0.005 . 1 . . . B 197 VAL H . 30159 2 121 . 2 2 29 29 VAL C C 13 174.705 0.033 . 1 . . . B 197 VAL C . 30159 2 122 . 2 2 29 29 VAL CA C 13 62.286 0.033 . 1 . . . B 197 VAL CA . 30159 2 123 . 2 2 29 29 VAL CB C 13 31.938 0.033 . 1 . . . B 197 VAL CB . 30159 2 124 . 2 2 29 29 VAL N N 15 119.415 0.036 . 1 . . . B 197 VAL N . 30159 2 125 . 2 2 30 30 TYR H H 1 7.898 0.005 . 1 . . . B 198 TYR H . 30159 2 126 . 2 2 30 30 TYR C C 13 174.328 0.033 . 1 . . . B 198 TYR C . 30159 2 127 . 2 2 30 30 TYR CA C 13 55.697 0.033 . 1 . . . B 198 TYR CA . 30159 2 128 . 2 2 30 30 TYR CB C 13 39.486 0.033 . 1 . . . B 198 TYR CB . 30159 2 129 . 2 2 30 30 TYR N N 15 124.506 0.036 . 1 . . . B 198 TYR N . 30159 2 130 . 2 2 31 31 GLN H H 1 7.657 0.005 . 1 . . . B 199 GLN H . 30159 2 131 . 2 2 31 31 GLN C C 13 174.441 0.033 . 1 . . . B 199 GLN C . 30159 2 132 . 2 2 31 31 GLN N N 15 122.768 0.036 . 1 . . . B 199 GLN N . 30159 2 133 . 2 2 32 32 ALA C C 13 176.199 0.033 . 1 . . . B 200 ALA C . 30159 2 134 . 2 2 32 32 ALA CA C 13 51.336 0.033 . 1 . . . B 200 ALA CA . 30159 2 135 . 2 2 32 32 ALA CB C 13 20.554 0.033 . 1 . . . B 200 ALA CB . 30159 2 136 . 2 2 33 33 SER H H 1 8.538 0.005 . 1 . . . B 201 SER H . 30159 2 137 . 2 2 33 33 SER C C 13 173.994 0.033 . 1 . . . B 201 SER C . 30159 2 138 . 2 2 33 33 SER CA C 13 56.875 0.033 . 1 . . . B 201 SER CA . 30159 2 139 . 2 2 33 33 SER CB C 13 64.710 0.033 . 1 . . . B 201 SER CB . 30159 2 140 . 2 2 33 33 SER N N 15 116.272 0.036 . 1 . . . B 201 SER N . 30159 2 141 . 2 2 34 34 THR H H 1 8.707 0.005 . 1 . . . B 202 THR H . 30159 2 142 . 2 2 34 34 THR C C 13 173.332 0.033 . 1 . . . B 202 THR C . 30159 2 143 . 2 2 34 34 THR CA C 13 59.123 0.033 . 1 . . . B 202 THR CA . 30159 2 144 . 2 2 34 34 THR CB C 13 68.614 0.033 . 1 . . . B 202 THR CB . 30159 2 145 . 2 2 34 34 THR N N 15 115.740 0.036 . 1 . . . B 202 THR N . 30159 2 146 . 2 2 35 35 LEU H H 1 8.513 0.005 . 1 . . . B 203 LEU H . 30159 2 147 . 2 2 35 35 LEU C C 13 177.035 0.033 . 1 . . . B 203 LEU C . 30159 2 148 . 2 2 35 35 LEU CA C 13 54.455 0.033 . 1 . . . B 203 LEU CA . 30159 2 149 . 2 2 35 35 LEU CB C 13 41.263 0.033 . 1 . . . B 203 LEU CB . 30159 2 150 . 2 2 35 35 LEU N N 15 124.818 0.036 . 1 . . . B 203 LEU N . 30159 2 151 . 2 2 36 36 ASP H H 1 8.563 0.005 . 1 . . . B 204 ASP H . 30159 2 152 . 2 2 36 36 ASP C C 13 173.546 0.033 . 1 . . . B 204 ASP C . 30159 2 153 . 2 2 36 36 ASP CA C 13 51.010 0.033 . 1 . . . B 204 ASP CA . 30159 2 154 . 2 2 36 36 ASP CB C 13 41.183 0.033 . 1 . . . B 204 ASP CB . 30159 2 155 . 2 2 36 36 ASP N N 15 119.512 0.036 . 1 . . . B 204 ASP N . 30159 2 156 . 2 2 37 37 PRO C C 13 178.338 0.033 . 1 . . . B 205 PRO C . 30159 2 157 . 2 2 37 37 PRO CA C 13 64.416 0.033 . 1 . . . B 205 PRO CA . 30159 2 158 . 2 2 37 37 PRO CB C 13 31.400 0.033 . 1 . . . B 205 PRO CB . 30159 2 159 . 2 2 38 38 ALA H H 1 8.128 0.005 . 1 . . . B 206 ALA H . 30159 2 160 . 2 2 38 38 ALA C C 13 181.190 0.033 . 1 . . . B 206 ALA C . 30159 2 161 . 2 2 38 38 ALA CA C 13 55.136 0.033 . 1 . . . B 206 ALA CA . 30159 2 162 . 2 2 38 38 ALA CB C 13 17.140 0.033 . 1 . . . B 206 ALA CB . 30159 2 163 . 2 2 38 38 ALA N N 15 120.121 0.036 . 1 . . . B 206 ALA N . 30159 2 164 . 2 2 39 39 LEU H H 1 7.492 0.005 . 1 . . . B 207 LEU H . 30159 2 165 . 2 2 39 39 LEU C C 13 180.085 0.033 . 1 . . . B 207 LEU C . 30159 2 166 . 2 2 39 39 LEU CA C 13 56.997 0.033 . 1 . . . B 207 LEU CA . 30159 2 167 . 2 2 39 39 LEU CB C 13 40.505 0.033 . 1 . . . B 207 LEU CB . 30159 2 168 . 2 2 39 39 LEU N N 15 120.065 0.036 . 1 . . . B 207 LEU N . 30159 2 169 . 2 2 40 40 GLU H H 1 7.448 0.005 . 1 . . . B 208 GLU H . 30159 2 170 . 2 2 40 40 GLU C C 13 179.278 0.033 . 1 . . . B 208 GLU C . 30159 2 171 . 2 2 40 40 GLU CA C 13 58.300 0.033 . 1 . . . B 208 GLU CA . 30159 2 172 . 2 2 40 40 GLU CB C 13 28.834 0.033 . 1 . . . B 208 GLU CB . 30159 2 173 . 2 2 40 40 GLU N N 15 118.571 0.036 . 1 . . . B 208 GLU N . 30159 2 174 . 2 2 41 41 ARG H H 1 8.612 0.005 . 1 . . . B 209 ARG H . 30159 2 175 . 2 2 41 41 ARG C C 13 179.546 0.033 . 1 . . . B 209 ARG C . 30159 2 176 . 2 2 41 41 ARG CA C 13 60.119 0.033 . 1 . . . B 209 ARG CA . 30159 2 177 . 2 2 41 41 ARG CB C 13 29.689 0.033 . 1 . . . B 209 ARG CB . 30159 2 178 . 2 2 41 41 ARG N N 15 119.211 0.036 . 1 . . . B 209 ARG N . 30159 2 179 . 2 2 42 42 GLU H H 1 7.771 0.005 . 1 . . . B 210 GLU H . 30159 2 180 . 2 2 42 42 GLU C C 13 179.783 0.033 . 1 . . . B 210 GLU C . 30159 2 181 . 2 2 42 42 GLU CA C 13 59.201 0.033 . 1 . . . B 210 GLU CA . 30159 2 182 . 2 2 42 42 GLU CB C 13 28.518 0.033 . 1 . . . B 210 GLU CB . 30159 2 183 . 2 2 42 42 GLU N N 15 122.047 0.036 . 1 . . . B 210 GLU N . 30159 2 184 . 2 2 43 43 ARG H H 1 8.433 0.005 . 1 . . . B 211 ARG H . 30159 2 185 . 2 2 43 43 ARG C C 13 179.910 0.033 . 1 . . . B 211 ARG C . 30159 2 186 . 2 2 43 43 ARG CA C 13 59.100 0.033 . 1 . . . B 211 ARG CA . 30159 2 187 . 2 2 43 43 ARG CB C 13 29.621 0.033 . 1 . . . B 211 ARG CB . 30159 2 188 . 2 2 43 43 ARG N N 15 120.837 0.036 . 1 . . . B 211 ARG N . 30159 2 189 . 2 2 44 44 LEU H H 1 8.458 0.005 . 1 . . . B 212 LEU H . 30159 2 190 . 2 2 44 44 LEU C C 13 177.754 0.033 . 1 . . . B 212 LEU C . 30159 2 191 . 2 2 44 44 LEU CA C 13 57.615 0.033 . 1 . . . B 212 LEU CA . 30159 2 192 . 2 2 44 44 LEU CB C 13 40.937 0.033 . 1 . . . B 212 LEU CB . 30159 2 193 . 2 2 44 44 LEU N N 15 119.922 0.036 . 1 . . . B 212 LEU N . 30159 2 194 . 2 2 45 45 THR H H 1 8.687 0.005 . 1 . . . B 213 THR H . 30159 2 195 . 2 2 45 45 THR C C 13 176.784 0.033 . 1 . . . B 213 THR C . 30159 2 196 . 2 2 45 45 THR CA C 13 67.721 0.033 . 1 . . . B 213 THR CA . 30159 2 197 . 2 2 45 45 THR CB C 13 74.130 0.033 . 1 . . . B 213 THR CB . 30159 2 198 . 2 2 45 45 THR N N 15 115.922 0.036 . 1 . . . B 213 THR N . 30159 2 199 . 2 2 46 46 GLY H H 1 8.090 0.005 . 1 . . . B 214 GLY H . 30159 2 200 . 2 2 46 46 GLY C C 13 175.645 0.033 . 1 . . . B 214 GLY C . 30159 2 201 . 2 2 46 46 GLY CA C 13 46.913 0.033 . 1 . . . B 214 GLY CA . 30159 2 202 . 2 2 46 46 GLY N N 15 107.626 0.036 . 1 . . . B 214 GLY N . 30159 2 203 . 2 2 47 47 ALA H H 1 7.815 0.005 . 1 . . . B 215 ALA H . 30159 2 204 . 2 2 47 47 ALA C C 13 179.158 0.033 . 1 . . . B 215 ALA C . 30159 2 205 . 2 2 47 47 ALA CA C 13 54.957 0.033 . 1 . . . B 215 ALA CA . 30159 2 206 . 2 2 47 47 ALA CB C 13 17.602 0.033 . 1 . . . B 215 ALA CB . 30159 2 207 . 2 2 47 47 ALA N N 15 124.699 0.036 . 1 . . . B 215 ALA N . 30159 2 208 . 2 2 48 48 LEU H H 1 8.526 0.005 . 1 . . . B 216 LEU H . 30159 2 209 . 2 2 48 48 LEU C C 13 179.886 0.033 . 1 . . . B 216 LEU C . 30159 2 210 . 2 2 48 48 LEU CA C 13 58.111 0.033 . 1 . . . B 216 LEU CA . 30159 2 211 . 2 2 48 48 LEU CB C 13 40.823 0.033 . 1 . . . B 216 LEU CB . 30159 2 212 . 2 2 48 48 LEU N N 15 117.501 0.036 . 1 . . . B 216 LEU N . 30159 2 213 . 2 2 49 49 GLU H H 1 7.912 0.005 . 1 . . . B 217 GLU H . 30159 2 214 . 2 2 49 49 GLU C C 13 178.976 0.033 . 1 . . . B 217 GLU C . 30159 2 215 . 2 2 49 49 GLU CA C 13 58.503 0.033 . 1 . . . B 217 GLU CA . 30159 2 216 . 2 2 49 49 GLU CB C 13 28.523 0.033 . 1 . . . B 217 GLU CB . 30159 2 217 . 2 2 49 49 GLU N N 15 119.113 0.036 . 1 . . . B 217 GLU N . 30159 2 218 . 2 2 50 50 GLU H H 1 8.141 0.005 . 1 . . . B 218 GLU H . 30159 2 219 . 2 2 50 50 GLU C C 13 179.982 0.033 . 1 . . . B 218 GLU C . 30159 2 220 . 2 2 50 50 GLU CA C 13 58.185 0.033 . 1 . . . B 218 GLU CA . 30159 2 221 . 2 2 50 50 GLU CB C 13 27.702 0.033 . 1 . . . B 218 GLU CB . 30159 2 222 . 2 2 50 50 GLU N N 15 119.618 0.036 . 1 . . . B 218 GLU N . 30159 2 223 . 2 2 51 51 ALA H H 1 8.258 0.005 . 1 . . . B 219 ALA H . 30159 2 224 . 2 2 51 51 ALA C C 13 177.540 0.033 . 1 . . . B 219 ALA C . 30159 2 225 . 2 2 51 51 ALA CA C 13 54.004 0.033 . 1 . . . B 219 ALA CA . 30159 2 226 . 2 2 51 51 ALA CB C 13 16.810 0.033 . 1 . . . B 219 ALA CB . 30159 2 227 . 2 2 51 51 ALA N N 15 121.603 0.036 . 1 . . . B 219 ALA N . 30159 2 228 . 2 2 52 52 ALA H H 1 7.928 0.005 . 1 . . . B 220 ALA H . 30159 2 229 . 2 2 52 52 ALA C C 13 180.879 0.033 . 1 . . . B 220 ALA C . 30159 2 230 . 2 2 52 52 ALA CA C 13 54.933 0.033 . 1 . . . B 220 ALA CA . 30159 2 231 . 2 2 52 52 ALA CB C 13 17.044 0.033 . 1 . . . B 220 ALA CB . 30159 2 232 . 2 2 52 52 ALA N N 15 119.191 0.036 . 1 . . . B 220 ALA N . 30159 2 233 . 2 2 53 53 ASN H H 1 8.069 0.005 . 1 . . . B 221 ASN H . 30159 2 234 . 2 2 53 53 ASN C C 13 177.768 0.033 . 1 . . . B 221 ASN C . 30159 2 235 . 2 2 53 53 ASN CA C 13 55.419 0.033 . 1 . . . B 221 ASN CA . 30159 2 236 . 2 2 53 53 ASN CB C 13 37.285 0.033 . 1 . . . B 221 ASN CB . 30159 2 237 . 2 2 53 53 ASN N N 15 116.555 0.036 . 1 . . . B 221 ASN N . 30159 2 238 . 2 2 54 54 GLU H H 1 7.732 0.005 . 1 . . . B 222 GLU H . 30159 2 239 . 2 2 54 54 GLU C C 13 177.178 0.033 . 1 . . . B 222 GLU C . 30159 2 240 . 2 2 54 54 GLU CA C 13 58.783 0.033 . 1 . . . B 222 GLU CA . 30159 2 241 . 2 2 54 54 GLU CB C 13 28.204 0.033 . 1 . . . B 222 GLU CB . 30159 2 242 . 2 2 54 54 GLU N N 15 121.939 0.036 . 1 . . . B 222 GLU N . 30159 2 243 . 2 2 55 55 PHE H H 1 7.932 0.005 . 1 . . . B 223 PHE H . 30159 2 244 . 2 2 55 55 PHE C C 13 178.667 0.033 . 1 . . . B 223 PHE C . 30159 2 245 . 2 2 55 55 PHE CA C 13 59.350 0.033 . 1 . . . B 223 PHE CA . 30159 2 246 . 2 2 55 55 PHE CB C 13 36.854 0.033 . 1 . . . B 223 PHE CB . 30159 2 247 . 2 2 55 55 PHE N N 15 116.642 0.036 . 1 . . . B 223 PHE N . 30159 2 248 . 2 2 56 56 ARG H H 1 8.033 0.005 . 1 . . . B 224 ARG H . 30159 2 249 . 2 2 56 56 ARG C C 13 179.047 0.033 . 1 . . . B 224 ARG C . 30159 2 250 . 2 2 56 56 ARG CA C 13 58.992 0.033 . 1 . . . B 224 ARG CA . 30159 2 251 . 2 2 56 56 ARG CB C 13 29.269 0.033 . 1 . . . B 224 ARG CB . 30159 2 252 . 2 2 56 56 ARG N N 15 118.574 0.036 . 1 . . . B 224 ARG N . 30159 2 253 . 2 2 57 57 ARG H H 1 7.705 0.005 . 1 . . . B 225 ARG H . 30159 2 254 . 2 2 57 57 ARG C C 13 180.305 0.033 . 1 . . . B 225 ARG C . 30159 2 255 . 2 2 57 57 ARG CA C 13 59.358 0.033 . 1 . . . B 225 ARG CA . 30159 2 256 . 2 2 57 57 ARG CB C 13 28.949 0.033 . 1 . . . B 225 ARG CB . 30159 2 257 . 2 2 57 57 ARG N N 15 120.144 0.036 . 1 . . . B 225 ARG N . 30159 2 258 . 2 2 58 58 TYR H H 1 7.966 0.005 . 1 . . . B 226 TYR H . 30159 2 259 . 2 2 58 58 TYR C C 13 177.942 0.033 . 1 . . . B 226 TYR C . 30159 2 260 . 2 2 58 58 TYR CA C 13 57.854 0.033 . 1 . . . B 226 TYR CA . 30159 2 261 . 2 2 58 58 TYR CB C 13 35.059 0.033 . 1 . . . B 226 TYR CB . 30159 2 262 . 2 2 58 58 TYR N N 15 119.787 0.036 . 1 . . . B 226 TYR N . 30159 2 263 . 2 2 59 59 SER H H 1 8.466 0.005 . 1 . . . B 227 SER H . 30159 2 264 . 2 2 59 59 SER C C 13 176.633 0.033 . 1 . . . B 227 SER C . 30159 2 265 . 2 2 59 59 SER CA C 13 62.209 0.033 . 1 . . . B 227 SER CA . 30159 2 266 . 2 2 59 59 SER N N 15 114.144 0.036 . 1 . . . B 227 SER N . 30159 2 267 . 2 2 60 60 LYS H H 1 7.980 0.005 . 1 . . . B 228 LYS H . 30159 2 268 . 2 2 60 60 LYS C C 13 179.250 0.033 . 1 . . . B 228 LYS C . 30159 2 269 . 2 2 60 60 LYS CA C 13 58.897 0.033 . 1 . . . B 228 LYS CA . 30159 2 270 . 2 2 60 60 LYS CB C 13 31.472 0.033 . 1 . . . B 228 LYS CB . 30159 2 271 . 2 2 60 60 LYS N N 15 117.711 0.036 . 1 . . . B 228 LYS N . 30159 2 272 . 2 2 61 61 ARG H H 1 7.770 0.005 . 1 . . . B 229 ARG H . 30159 2 273 . 2 2 61 61 ARG C C 13 179.062 0.033 . 1 . . . B 229 ARG C . 30159 2 274 . 2 2 61 61 ARG CA C 13 58.315 0.033 . 1 . . . B 229 ARG CA . 30159 2 275 . 2 2 61 61 ARG CB C 13 29.301 0.033 . 1 . . . B 229 ARG CB . 30159 2 276 . 2 2 61 61 ARG N N 15 119.716 0.036 . 1 . . . B 229 ARG N . 30159 2 277 . 2 2 62 62 PHE H H 1 8.138 0.005 . 1 . . . B 230 PHE H . 30159 2 278 . 2 2 62 62 PHE C C 13 177.578 0.033 . 1 . . . B 230 PHE C . 30159 2 279 . 2 2 62 62 PHE CA C 13 61.145 0.033 . 1 . . . B 230 PHE CA . 30159 2 280 . 2 2 62 62 PHE CB C 13 37.387 0.033 . 1 . . . B 230 PHE CB . 30159 2 281 . 2 2 62 62 PHE N N 15 117.371 0.036 . 1 . . . B 230 PHE N . 30159 2 282 . 2 2 63 63 ALA H H 1 8.752 0.005 . 1 . . . B 231 ALA H . 30159 2 283 . 2 2 63 63 ALA C C 13 180.512 0.033 . 1 . . . B 231 ALA C . 30159 2 284 . 2 2 63 63 ALA CA C 13 54.683 0.033 . 1 . . . B 231 ALA CA . 30159 2 285 . 2 2 63 63 ALA CB C 13 17.446 0.033 . 1 . . . B 231 ALA CB . 30159 2 286 . 2 2 63 63 ALA N N 15 123.388 0.036 . 1 . . . B 231 ALA N . 30159 2 287 . 2 2 64 64 ALA H H 1 7.900 0.005 . 1 . . . B 232 ALA H . 30159 2 288 . 2 2 64 64 ALA C C 13 178.749 0.033 . 1 . . . B 232 ALA C . 30159 2 289 . 2 2 64 64 ALA CA C 13 53.532 0.033 . 1 . . . B 232 ALA CA . 30159 2 290 . 2 2 64 64 ALA CB C 13 17.276 0.033 . 1 . . . B 232 ALA CB . 30159 2 291 . 2 2 64 64 ALA N N 15 120.476 0.036 . 1 . . . B 232 ALA N . 30159 2 292 . 2 2 65 65 GLY H H 1 7.515 0.005 . 1 . . . B 233 GLY H . 30159 2 293 . 2 2 65 65 GLY CA C 13 44.771 0.033 . 1 . . . B 233 GLY CA . 30159 2 294 . 2 2 65 65 GLY N N 15 105.722 0.036 . 1 . . . B 233 GLY N . 30159 2 295 . 2 2 66 66 ALA C C 13 177.221 0.033 . 1 . . . B 234 ALA C . 30159 2 296 . 2 2 66 66 ALA CA C 13 52.932 0.033 . 1 . . . B 234 ALA CA . 30159 2 297 . 2 2 66 66 ALA CB C 13 16.417 0.033 . 1 . . . B 234 ALA CB . 30159 2 298 . 2 2 67 67 GLN H H 1 8.272 0.005 . 1 . . . B 235 GLN H . 30159 2 299 . 2 2 67 67 GLN C C 13 176.896 0.033 . 1 . . . B 235 GLN C . 30159 2 300 . 2 2 67 67 GLN CA C 13 53.582 0.033 . 1 . . . B 235 GLN CA . 30159 2 301 . 2 2 67 67 GLN CB C 13 26.149 0.033 . 1 . . . B 235 GLN CB . 30159 2 302 . 2 2 67 67 GLN N N 15 119.317 0.036 . 1 . . . B 235 GLN N . 30159 2 303 . 2 2 68 68 LYS H H 1 7.997 0.005 . 1 . . . B 236 LYS H . 30159 2 304 . 2 2 68 68 LYS C C 13 179.132 0.033 . 1 . . . B 236 LYS C . 30159 2 305 . 2 2 68 68 LYS CA C 13 59.373 0.033 . 1 . . . B 236 LYS CA . 30159 2 306 . 2 2 68 68 LYS CB C 13 31.419 0.033 . 1 . . . B 236 LYS CB . 30159 2 307 . 2 2 68 68 LYS N N 15 121.405 0.036 . 1 . . . B 236 LYS N . 30159 2 308 . 2 2 69 69 GLU C C 13 178.540 0.033 . 1 . . . B 237 GLU C . 30159 2 309 . 2 2 69 69 GLU CA C 13 59.028 0.033 . 1 . . . B 237 GLU CA . 30159 2 310 . 2 2 69 69 GLU CB C 13 27.761 0.033 . 1 . . . B 237 GLU CB . 30159 2 311 . 2 2 70 70 THR H H 1 7.537 0.005 . 1 . . . B 238 THR H . 30159 2 312 . 2 2 70 70 THR C C 13 176.217 0.033 . 1 . . . B 238 THR C . 30159 2 313 . 2 2 70 70 THR CA C 13 65.585 0.033 . 1 . . . B 238 THR CA . 30159 2 314 . 2 2 70 70 THR CB C 13 67.314 0.033 . 1 . . . B 238 THR CB . 30159 2 315 . 2 2 70 70 THR N N 15 116.187 0.036 . 1 . . . B 238 THR N . 30159 2 316 . 2 2 71 71 ALA H H 1 8.061 0.005 . 1 . . . B 239 ALA H . 30159 2 317 . 2 2 71 71 ALA C C 13 178.510 0.033 . 1 . . . B 239 ALA C . 30159 2 318 . 2 2 71 71 ALA CA C 13 55.635 0.033 . 1 . . . B 239 ALA CA . 30159 2 319 . 2 2 71 71 ALA CB C 13 17.264 0.033 . 1 . . . B 239 ALA CB . 30159 2 320 . 2 2 71 71 ALA N N 15 123.001 0.036 . 1 . . . B 239 ALA N . 30159 2 321 . 2 2 72 72 ALA H H 1 7.546 0.005 . 1 . . . B 240 ALA H . 30159 2 322 . 2 2 72 72 ALA C C 13 180.382 0.033 . 1 . . . B 240 ALA C . 30159 2 323 . 2 2 72 72 ALA CA C 13 54.048 0.033 . 1 . . . B 240 ALA CA . 30159 2 324 . 2 2 72 72 ALA CB C 13 17.273 0.033 . 1 . . . B 240 ALA CB . 30159 2 325 . 2 2 72 72 ALA N N 15 115.947 0.036 . 1 . . . B 240 ALA N . 30159 2 326 . 2 2 73 73 ILE H H 1 7.229 0.005 . 1 . . . B 241 ILE H . 30159 2 327 . 2 2 73 73 ILE C C 13 176.659 0.033 . 1 . . . B 241 ILE C . 30159 2 328 . 2 2 73 73 ILE CA C 13 64.215 0.033 . 1 . . . B 241 ILE CA . 30159 2 329 . 2 2 73 73 ILE CB C 13 36.979 0.033 . 1 . . . B 241 ILE CB . 30159 2 330 . 2 2 73 73 ILE N N 15 119.804 0.036 . 1 . . . B 241 ILE N . 30159 2 331 . 2 2 74 74 PHE H H 1 6.593 0.005 . 1 . . . B 242 PHE H . 30159 2 332 . 2 2 74 74 PHE C C 13 177.959 0.033 . 1 . . . B 242 PHE C . 30159 2 333 . 2 2 74 74 PHE CA C 13 61.208 0.033 . 1 . . . B 242 PHE CA . 30159 2 334 . 2 2 74 74 PHE CB C 13 38.118 0.033 . 1 . . . B 242 PHE CB . 30159 2 335 . 2 2 74 74 PHE N N 15 116.622 0.036 . 1 . . . B 242 PHE N . 30159 2 336 . 2 2 75 75 ASP H H 1 8.446 0.005 . 1 . . . B 243 ASP H . 30159 2 337 . 2 2 75 75 ASP C C 13 177.422 0.033 . 1 . . . B 243 ASP C . 30159 2 338 . 2 2 75 75 ASP CA C 13 56.876 0.033 . 1 . . . B 243 ASP CA . 30159 2 339 . 2 2 75 75 ASP CB C 13 39.203 0.033 . 1 . . . B 243 ASP CB . 30159 2 340 . 2 2 75 75 ASP N N 15 121.537 0.036 . 1 . . . B 243 ASP N . 30159 2 341 . 2 2 76 76 LEU H H 1 7.480 0.005 . 1 . . . B 244 LEU H . 30159 2 342 . 2 2 76 76 LEU C C 13 178.851 0.033 . 1 . . . B 244 LEU C . 30159 2 343 . 2 2 76 76 LEU CA C 13 58.119 0.033 . 1 . . . B 244 LEU CA . 30159 2 344 . 2 2 76 76 LEU CB C 13 38.587 0.033 . 1 . . . B 244 LEU CB . 30159 2 345 . 2 2 76 76 LEU N N 15 120.448 0.036 . 1 . . . B 244 LEU N . 30159 2 346 . 2 2 77 77 TYR H H 1 7.603 0.005 . 1 . . . B 245 TYR H . 30159 2 347 . 2 2 77 77 TYR C C 13 177.969 0.033 . 1 . . . B 245 TYR C . 30159 2 348 . 2 2 77 77 TYR CA C 13 59.882 0.033 . 1 . . . B 245 TYR CA . 30159 2 349 . 2 2 77 77 TYR CB C 13 35.288 0.033 . 1 . . . B 245 TYR CB . 30159 2 350 . 2 2 77 77 TYR N N 15 117.748 0.036 . 1 . . . B 245 TYR N . 30159 2 351 . 2 2 78 78 SER H H 1 8.080 0.005 . 1 . . . B 246 SER H . 30159 2 352 . 2 2 78 78 SER C C 13 177.274 0.033 . 1 . . . B 246 SER C . 30159 2 353 . 2 2 78 78 SER CA C 13 62.562 0.033 . 1 . . . B 246 SER CA . 30159 2 354 . 2 2 78 78 SER N N 15 113.704 0.036 . 1 . . . B 246 SER N . 30159 2 355 . 2 2 79 79 HIS H H 1 8.412 0.005 . 1 . . . B 247 HIS H . 30159 2 356 . 2 2 79 79 HIS C C 13 179.196 0.033 . 1 . . . B 247 HIS C . 30159 2 357 . 2 2 79 79 HIS CA C 13 57.769 0.033 . 1 . . . B 247 HIS CA . 30159 2 358 . 2 2 79 79 HIS CB C 13 29.609 0.033 . 1 . . . B 247 HIS CB . 30159 2 359 . 2 2 79 79 HIS N N 15 122.629 0.036 . 1 . . . B 247 HIS N . 30159 2 360 . 2 2 80 80 LEU H H 1 8.674 0.005 . 1 . . . B 248 LEU H . 30159 2 361 . 2 2 80 80 LEU C C 13 177.872 0.033 . 1 . . . B 248 LEU C . 30159 2 362 . 2 2 80 80 LEU CA C 13 57.722 0.033 . 1 . . . B 248 LEU CA . 30159 2 363 . 2 2 80 80 LEU CB C 13 41.017 0.033 . 1 . . . B 248 LEU CB . 30159 2 364 . 2 2 80 80 LEU N N 15 120.263 0.036 . 1 . . . B 248 LEU N . 30159 2 365 . 2 2 81 81 LEU H H 1 7.784 0.005 . 1 . . . B 249 LEU H . 30159 2 366 . 2 2 81 81 LEU C C 13 177.667 0.033 . 1 . . . B 249 LEU C . 30159 2 367 . 2 2 81 81 LEU CA C 13 56.383 0.033 . 1 . . . B 249 LEU CA . 30159 2 368 . 2 2 81 81 LEU CB C 13 41.228 0.033 . 1 . . . B 249 LEU CB . 30159 2 369 . 2 2 81 81 LEU N N 15 114.770 0.036 . 1 . . . B 249 LEU N . 30159 2 370 . 2 2 82 82 SER H H 1 7.572 0.005 . 1 . . . B 250 SER H . 30159 2 371 . 2 2 82 82 SER C C 13 173.582 0.033 . 1 . . . B 250 SER C . 30159 2 372 . 2 2 82 82 SER CA C 13 58.317 0.033 . 1 . . . B 250 SER CA . 30159 2 373 . 2 2 82 82 SER CB C 13 63.814 0.033 . 1 . . . B 250 SER CB . 30159 2 374 . 2 2 82 82 SER N N 15 111.777 0.036 . 1 . . . B 250 SER N . 30159 2 375 . 2 2 83 83 ASP H H 1 7.502 0.005 . 1 . . . B 251 ASP H . 30159 2 376 . 2 2 83 83 ASP C C 13 177.342 0.033 . 1 . . . B 251 ASP C . 30159 2 377 . 2 2 83 83 ASP CA C 13 55.929 0.033 . 1 . . . B 251 ASP CA . 30159 2 378 . 2 2 83 83 ASP CB C 13 44.097 0.033 . 1 . . . B 251 ASP CB . 30159 2 379 . 2 2 83 83 ASP N N 15 124.984 0.036 . 1 . . . B 251 ASP N . 30159 2 380 . 2 2 84 84 THR C C 13 177.741 0.033 . 1 . . . B 252 THR C . 30159 2 381 . 2 2 84 84 THR CA C 13 65.223 0.033 . 1 . . . B 252 THR CA . 30159 2 382 . 2 2 84 84 THR CB C 13 68.407 0.033 . 1 . . . B 252 THR CB . 30159 2 383 . 2 2 85 85 ARG H H 1 8.525 0.005 . 1 . . . B 253 ARG H . 30159 2 384 . 2 2 85 85 ARG C C 13 178.505 0.033 . 1 . . . B 253 ARG C . 30159 2 385 . 2 2 85 85 ARG CA C 13 59.464 0.033 . 1 . . . B 253 ARG CA . 30159 2 386 . 2 2 85 85 ARG CB C 13 29.226 0.033 . 1 . . . B 253 ARG CB . 30159 2 387 . 2 2 85 85 ARG N N 15 123.167 0.036 . 1 . . . B 253 ARG N . 30159 2 388 . 2 2 86 86 LEU C C 13 178.909 0.033 . 1 . . . B 254 LEU C . 30159 2 389 . 2 2 86 86 LEU CA C 13 58.316 0.033 . 1 . . . B 254 LEU CA . 30159 2 390 . 2 2 86 86 LEU CB C 13 41.167 0.033 . 1 . . . B 254 LEU CB . 30159 2 391 . 2 2 87 87 ARG H H 1 8.271 0.005 . 1 . . . B 255 ARG H . 30159 2 392 . 2 2 87 87 ARG C C 13 177.660 0.033 . 1 . . . B 255 ARG C . 30159 2 393 . 2 2 87 87 ARG CA C 13 60.296 0.033 . 1 . . . B 255 ARG CA . 30159 2 394 . 2 2 87 87 ARG CB C 13 29.692 0.033 . 1 . . . B 255 ARG CB . 30159 2 395 . 2 2 87 87 ARG N N 15 114.812 0.036 . 1 . . . B 255 ARG N . 30159 2 396 . 2 2 88 88 ARG H H 1 7.881 0.005 . 1 . . . B 256 ARG H . 30159 2 397 . 2 2 88 88 ARG C C 13 180.185 0.033 . 1 . . . B 256 ARG C . 30159 2 398 . 2 2 88 88 ARG CA C 13 59.276 0.033 . 1 . . . B 256 ARG CA . 30159 2 399 . 2 2 88 88 ARG CB C 13 29.152 0.033 . 1 . . . B 256 ARG CB . 30159 2 400 . 2 2 88 88 ARG N N 15 117.376 0.036 . 1 . . . B 256 ARG N . 30159 2 401 . 2 2 89 89 GLU H H 1 8.140 0.005 . 1 . . . B 257 GLU H . 30159 2 402 . 2 2 89 89 GLU C C 13 179.374 0.033 . 1 . . . B 257 GLU C . 30159 2 403 . 2 2 89 89 GLU CA C 13 59.183 0.033 . 1 . . . B 257 GLU CA . 30159 2 404 . 2 2 89 89 GLU CB C 13 28.607 0.033 . 1 . . . B 257 GLU CB . 30159 2 405 . 2 2 89 89 GLU N N 15 117.993 0.036 . 1 . . . B 257 GLU N . 30159 2 406 . 2 2 90 90 LEU H H 1 8.419 0.005 . 1 . . . B 258 LEU H . 30159 2 407 . 2 2 90 90 LEU C C 13 178.542 0.033 . 1 . . . B 258 LEU C . 30159 2 408 . 2 2 90 90 LEU CA C 13 58.116 0.033 . 1 . . . B 258 LEU CA . 30159 2 409 . 2 2 90 90 LEU CB C 13 41.514 0.033 . 1 . . . B 258 LEU CB . 30159 2 410 . 2 2 90 90 LEU N N 15 120.529 0.036 . 1 . . . B 258 LEU N . 30159 2 411 . 2 2 91 91 PHE H H 1 8.120 0.005 . 1 . . . B 259 PHE H . 30159 2 412 . 2 2 91 91 PHE C C 13 177.800 0.033 . 1 . . . B 259 PHE C . 30159 2 413 . 2 2 91 91 PHE CA C 13 61.352 0.033 . 1 . . . B 259 PHE CA . 30159 2 414 . 2 2 91 91 PHE CB C 13 36.992 0.033 . 1 . . . B 259 PHE CB . 30159 2 415 . 2 2 91 91 PHE N N 15 114.445 0.036 . 1 . . . B 259 PHE N . 30159 2 416 . 2 2 92 92 ALA H H 1 8.318 0.005 . 1 . . . B 260 ALA H . 30159 2 417 . 2 2 92 92 ALA C C 13 180.864 0.033 . 1 . . . B 260 ALA C . 30159 2 418 . 2 2 92 92 ALA CA C 13 54.674 0.033 . 1 . . . B 260 ALA CA . 30159 2 419 . 2 2 92 92 ALA CB C 13 17.141 0.033 . 1 . . . B 260 ALA CB . 30159 2 420 . 2 2 92 92 ALA N N 15 121.975 0.036 . 1 . . . B 260 ALA N . 30159 2 421 . 2 2 93 93 GLU H H 1 7.595 0.005 . 1 . . . B 261 GLU H . 30159 2 422 . 2 2 93 93 GLU C C 13 179.527 0.033 . 1 . . . B 261 GLU C . 30159 2 423 . 2 2 93 93 GLU CA C 13 58.208 0.033 . 1 . . . B 261 GLU CA . 30159 2 424 . 2 2 93 93 GLU CB C 13 28.390 0.033 . 1 . . . B 261 GLU CB . 30159 2 425 . 2 2 93 93 GLU N N 15 116.719 0.036 . 1 . . . B 261 GLU N . 30159 2 426 . 2 2 94 94 VAL H H 1 7.469 0.005 . 1 . . . B 262 VAL H . 30159 2 427 . 2 2 94 94 VAL C C 13 180.068 0.033 . 1 . . . B 262 VAL C . 30159 2 428 . 2 2 94 94 VAL CA C 13 65.072 0.033 . 1 . . . B 262 VAL CA . 30159 2 429 . 2 2 94 94 VAL CB C 13 30.719 0.033 . 1 . . . B 262 VAL CB . 30159 2 430 . 2 2 94 94 VAL N N 15 118.983 0.036 . 1 . . . B 262 VAL N . 30159 2 431 . 2 2 95 95 ASP H H 1 8.574 0.005 . 1 . . . B 263 ASP H . 30159 2 432 . 2 2 95 95 ASP C C 13 178.482 0.033 . 1 . . . B 263 ASP C . 30159 2 433 . 2 2 95 95 ASP CA C 13 56.895 0.033 . 1 . . . B 263 ASP CA . 30159 2 434 . 2 2 95 95 ASP CB C 13 39.333 0.033 . 1 . . . B 263 ASP CB . 30159 2 435 . 2 2 95 95 ASP N N 15 121.600 0.036 . 1 . . . B 263 ASP N . 30159 2 436 . 2 2 96 96 LYS H H 1 7.394 0.005 . 1 . . . B 264 LYS H . 30159 2 437 . 2 2 96 96 LYS C C 13 177.172 0.033 . 1 . . . B 264 LYS C . 30159 2 438 . 2 2 96 96 LYS CA C 13 56.930 0.033 . 1 . . . B 264 LYS CA . 30159 2 439 . 2 2 96 96 LYS CB C 13 31.871 0.033 . 1 . . . B 264 LYS CB . 30159 2 440 . 2 2 96 96 LYS N N 15 117.510 0.036 . 1 . . . B 264 LYS N . 30159 2 441 . 2 2 97 97 GLY H H 1 8.276 0.005 . 1 . . . B 265 GLY H . 30159 2 442 . 2 2 97 97 GLY C C 13 174.291 0.033 . 1 . . . B 265 GLY C . 30159 2 443 . 2 2 97 97 GLY CA C 13 44.845 0.033 . 1 . . . B 265 GLY CA . 30159 2 444 . 2 2 97 97 GLY N N 15 106.842 0.036 . 1 . . . B 265 GLY N . 30159 2 445 . 2 2 98 98 SER H H 1 7.661 0.005 . 1 . . . B 266 SER H . 30159 2 446 . 2 2 98 98 SER C C 13 174.246 0.033 . 1 . . . B 266 SER C . 30159 2 447 . 2 2 98 98 SER CA C 13 59.056 0.033 . 1 . . . B 266 SER CA . 30159 2 448 . 2 2 98 98 SER CB C 13 63.170 0.033 . 1 . . . B 266 SER CB . 30159 2 449 . 2 2 98 98 SER N N 15 117.140 0.036 . 1 . . . B 266 SER N . 30159 2 450 . 2 2 99 99 VAL H H 1 7.779 0.005 . 1 . . . B 267 VAL H . 30159 2 451 . 2 2 99 99 VAL C C 13 177.882 0.033 . 1 . . . B 267 VAL C . 30159 2 452 . 2 2 99 99 VAL CA C 13 61.712 0.033 . 1 . . . B 267 VAL CA . 30159 2 453 . 2 2 99 99 VAL CB C 13 31.790 0.033 . 1 . . . B 267 VAL CB . 30159 2 454 . 2 2 99 99 VAL N N 15 115.341 0.036 . 1 . . . B 267 VAL N . 30159 2 455 . 2 2 100 100 ALA H H 1 9.952 0.005 . 1 . . . B 268 ALA H . 30159 2 456 . 2 2 100 100 ALA C C 13 178.346 0.033 . 1 . . . B 268 ALA C . 30159 2 457 . 2 2 100 100 ALA CA C 13 55.796 0.033 . 1 . . . B 268 ALA CA . 30159 2 458 . 2 2 100 100 ALA CB C 13 18.343 0.033 . 1 . . . B 268 ALA CB . 30159 2 459 . 2 2 100 100 ALA N N 15 126.757 0.036 . 1 . . . B 268 ALA N . 30159 2 460 . 2 2 101 101 GLU H H 1 10.694 0.005 . 1 . . . B 269 GLU H . 30159 2 461 . 2 2 101 101 GLU C C 13 178.064 0.033 . 1 . . . B 269 GLU C . 30159 2 462 . 2 2 101 101 GLU CA C 13 61.129 0.033 . 1 . . . B 269 GLU CA . 30159 2 463 . 2 2 101 101 GLU CB C 13 28.364 0.033 . 1 . . . B 269 GLU CB . 30159 2 464 . 2 2 101 101 GLU N N 15 116.292 0.036 . 1 . . . B 269 GLU N . 30159 2 465 . 2 2 102 102 TRP H H 1 7.099 0.005 . 1 . . . B 270 TRP H . 30159 2 466 . 2 2 102 102 TRP HE1 H 1 10.344 0.005 . 1 . . . B 270 TRP HE1 . 30159 2 467 . 2 2 102 102 TRP C C 13 177.288 0.033 . 1 . . . B 270 TRP C . 30159 2 468 . 2 2 102 102 TRP CA C 13 58.186 0.033 . 1 . . . B 270 TRP CA . 30159 2 469 . 2 2 102 102 TRP CB C 13 29.683 0.033 . 1 . . . B 270 TRP CB . 30159 2 470 . 2 2 102 102 TRP N N 15 117.398 0.036 . 1 . . . B 270 TRP N . 30159 2 471 . 2 2 102 102 TRP NE1 N 15 130.397 0.036 . 1 . . . B 270 TRP NE1 . 30159 2 472 . 2 2 103 103 ALA H H 1 8.183 0.005 . 1 . . . B 271 ALA H . 30159 2 473 . 2 2 103 103 ALA C C 13 177.963 0.033 . 1 . . . B 271 ALA C . 30159 2 474 . 2 2 103 103 ALA CA C 13 55.240 0.033 . 1 . . . B 271 ALA CA . 30159 2 475 . 2 2 103 103 ALA CB C 13 18.011 0.033 . 1 . . . B 271 ALA CB . 30159 2 476 . 2 2 103 103 ALA N N 15 122.502 0.036 . 1 . . . B 271 ALA N . 30159 2 477 . 2 2 104 104 VAL H H 1 8.083 0.005 . 1 . . . B 272 VAL H . 30159 2 478 . 2 2 104 104 VAL C C 13 176.413 0.033 . 1 . . . B 272 VAL C . 30159 2 479 . 2 2 104 104 VAL CA C 13 66.067 0.033 . 1 . . . B 272 VAL CA . 30159 2 480 . 2 2 104 104 VAL CB C 13 30.705 0.033 . 1 . . . B 272 VAL CB . 30159 2 481 . 2 2 104 104 VAL N N 15 114.061 0.036 . 1 . . . B 272 VAL N . 30159 2 482 . 2 2 105 105 LYS H H 1 7.652 0.005 . 1 . . . B 273 LYS H . 30159 2 483 . 2 2 105 105 LYS C C 13 177.484 0.033 . 1 . . . B 273 LYS C . 30159 2 484 . 2 2 105 105 LYS CA C 13 59.604 0.033 . 1 . . . B 273 LYS CA . 30159 2 485 . 2 2 105 105 LYS CB C 13 32.446 0.033 . 1 . . . B 273 LYS CB . 30159 2 486 . 2 2 105 105 LYS N N 15 117.600 0.036 . 1 . . . B 273 LYS N . 30159 2 487 . 2 2 106 106 THR H H 1 7.975 0.005 . 1 . . . B 274 THR H . 30159 2 488 . 2 2 106 106 THR C C 13 177.053 0.033 . 1 . . . B 274 THR C . 30159 2 489 . 2 2 106 106 THR CA C 13 64.677 0.033 . 1 . . . B 274 THR CA . 30159 2 490 . 2 2 106 106 THR CB C 13 68.417 0.033 . 1 . . . B 274 THR CB . 30159 2 491 . 2 2 106 106 THR N N 15 110.161 0.036 . 1 . . . B 274 THR N . 30159 2 492 . 2 2 107 107 VAL H H 1 7.847 0.005 . 1 . . . B 275 VAL H . 30159 2 493 . 2 2 107 107 VAL C C 13 177.939 0.033 . 1 . . . B 275 VAL C . 30159 2 494 . 2 2 107 107 VAL CA C 13 66.244 0.033 . 1 . . . B 275 VAL CA . 30159 2 495 . 2 2 107 107 VAL CB C 13 30.950 0.033 . 1 . . . B 275 VAL CB . 30159 2 496 . 2 2 107 107 VAL N N 15 122.285 0.036 . 1 . . . B 275 VAL N . 30159 2 497 . 2 2 108 108 ILE H H 1 8.445 0.005 . 1 . . . B 276 ILE H . 30159 2 498 . 2 2 108 108 ILE C C 13 178.310 0.033 . 1 . . . B 276 ILE C . 30159 2 499 . 2 2 108 108 ILE CA C 13 62.693 0.033 . 1 . . . B 276 ILE CA . 30159 2 500 . 2 2 108 108 ILE CB C 13 33.187 0.033 . 1 . . . B 276 ILE CB . 30159 2 501 . 2 2 108 108 ILE N N 15 118.767 0.036 . 1 . . . B 276 ILE N . 30159 2 502 . 2 2 109 109 GLU H H 1 8.045 0.005 . 1 . . . B 277 GLU H . 30159 2 503 . 2 2 109 109 GLU C C 13 178.731 0.033 . 1 . . . B 277 GLU C . 30159 2 504 . 2 2 109 109 GLU CA C 13 59.625 0.033 . 1 . . . B 277 GLU CA . 30159 2 505 . 2 2 109 109 GLU CB C 13 28.158 0.033 . 1 . . . B 277 GLU CB . 30159 2 506 . 2 2 109 109 GLU N N 15 116.580 0.036 . 1 . . . B 277 GLU N . 30159 2 507 . 2 2 110 110 LYS H H 1 7.465 0.005 . 1 . . . B 278 LYS H . 30159 2 508 . 2 2 110 110 LYS C C 13 180.132 0.033 . 1 . . . B 278 LYS C . 30159 2 509 . 2 2 110 110 LYS CA C 13 59.126 0.033 . 1 . . . B 278 LYS CA . 30159 2 510 . 2 2 110 110 LYS CB C 13 30.767 0.033 . 1 . . . B 278 LYS CB . 30159 2 511 . 2 2 110 110 LYS N N 15 119.407 0.036 . 1 . . . B 278 LYS N . 30159 2 512 . 2 2 111 111 PHE H H 1 8.090 0.005 . 1 . . . B 279 PHE H . 30159 2 513 . 2 2 111 111 PHE C C 13 178.227 0.033 . 1 . . . B 279 PHE C . 30159 2 514 . 2 2 111 111 PHE CA C 13 61.633 0.033 . 1 . . . B 279 PHE CA . 30159 2 515 . 2 2 111 111 PHE CB C 13 38.742 0.033 . 1 . . . B 279 PHE CB . 30159 2 516 . 2 2 111 111 PHE N N 15 117.238 0.036 . 1 . . . B 279 PHE N . 30159 2 517 . 2 2 112 112 ALA H H 1 9.307 0.005 . 1 . . . B 280 ALA H . 30159 2 518 . 2 2 112 112 ALA C C 13 179.656 0.033 . 1 . . . B 280 ALA C . 30159 2 519 . 2 2 112 112 ALA CA C 13 56.107 0.033 . 1 . . . B 280 ALA CA . 30159 2 520 . 2 2 112 112 ALA CB C 13 16.948 0.033 . 1 . . . B 280 ALA CB . 30159 2 521 . 2 2 112 112 ALA N N 15 122.742 0.036 . 1 . . . B 280 ALA N . 30159 2 522 . 2 2 113 113 GLU H H 1 8.318 0.005 . 1 . . . B 281 GLU H . 30159 2 523 . 2 2 113 113 GLU C C 13 179.352 0.033 . 1 . . . B 281 GLU C . 30159 2 524 . 2 2 113 113 GLU CA C 13 58.589 0.033 . 1 . . . B 281 GLU CA . 30159 2 525 . 2 2 113 113 GLU CB C 13 28.430 0.033 . 1 . . . B 281 GLU CB . 30159 2 526 . 2 2 113 113 GLU N N 15 116.635 0.036 . 1 . . . B 281 GLU N . 30159 2 527 . 2 2 114 114 GLN H H 1 7.478 0.005 . 1 . . . B 282 GLN H . 30159 2 528 . 2 2 114 114 GLN C C 13 179.205 0.033 . 1 . . . B 282 GLN C . 30159 2 529 . 2 2 114 114 GLN CA C 13 58.496 0.033 . 1 . . . B 282 GLN CA . 30159 2 530 . 2 2 114 114 GLN CB C 13 27.535 0.033 . 1 . . . B 282 GLN CB . 30159 2 531 . 2 2 114 114 GLN N N 15 118.432 0.036 . 1 . . . B 282 GLN N . 30159 2 532 . 2 2 115 115 PHE H H 1 7.866 0.005 . 1 . . . B 283 PHE H . 30159 2 533 . 2 2 115 115 PHE C C 13 177.802 0.033 . 1 . . . B 283 PHE C . 30159 2 534 . 2 2 115 115 PHE CA C 13 60.855 0.033 . 1 . . . B 283 PHE CA . 30159 2 535 . 2 2 115 115 PHE N N 15 116.937 0.036 . 1 . . . B 283 PHE N . 30159 2 536 . 2 2 116 116 ALA H H 1 8.412 0.005 . 1 . . . B 284 ALA H . 30159 2 537 . 2 2 116 116 ALA C C 13 177.957 0.033 . 1 . . . B 284 ALA C . 30159 2 538 . 2 2 116 116 ALA CA C 13 53.976 0.033 . 1 . . . B 284 ALA CA . 30159 2 539 . 2 2 116 116 ALA CB C 13 17.590 0.033 . 1 . . . B 284 ALA CB . 30159 2 540 . 2 2 116 116 ALA N N 15 118.646 0.036 . 1 . . . B 284 ALA N . 30159 2 541 . 2 2 117 117 ALA H H 1 7.194 0.005 . 1 . . . B 285 ALA H . 30159 2 542 . 2 2 117 117 ALA C C 13 178.328 0.033 . 1 . . . B 285 ALA C . 30159 2 543 . 2 2 117 117 ALA CA C 13 51.871 0.033 . 1 . . . B 285 ALA CA . 30159 2 544 . 2 2 117 117 ALA CB C 13 18.451 0.033 . 1 . . . B 285 ALA CB . 30159 2 545 . 2 2 117 117 ALA N N 15 116.720 0.036 . 1 . . . B 285 ALA N . 30159 2 546 . 2 2 118 118 LEU H H 1 7.351 0.005 . 1 . . . B 286 LEU H . 30159 2 547 . 2 2 118 118 LEU C C 13 176.731 0.033 . 1 . . . B 286 LEU C . 30159 2 548 . 2 2 118 118 LEU CA C 13 54.631 0.033 . 1 . . . B 286 LEU CA . 30159 2 549 . 2 2 118 118 LEU CB C 13 40.685 0.033 . 1 . . . B 286 LEU CB . 30159 2 550 . 2 2 118 118 LEU N N 15 119.654 0.036 . 1 . . . B 286 LEU N . 30159 2 551 . 2 2 119 119 SER H H 1 8.278 0.005 . 1 . . . B 287 SER H . 30159 2 552 . 2 2 119 119 SER C C 13 174.876 0.033 . 1 . . . B 287 SER C . 30159 2 553 . 2 2 119 119 SER CA C 13 59.150 0.033 . 1 . . . B 287 SER CA . 30159 2 554 . 2 2 119 119 SER CB C 13 62.522 0.033 . 1 . . . B 287 SER CB . 30159 2 555 . 2 2 119 119 SER N N 15 112.914 0.036 . 1 . . . B 287 SER N . 30159 2 556 . 2 2 120 120 ASP H H 1 7.575 0.005 . 1 . . . B 288 ASP H . 30159 2 557 . 2 2 120 120 ASP C C 13 176.828 0.033 . 1 . . . B 288 ASP C . 30159 2 558 . 2 2 120 120 ASP CA C 13 53.586 0.033 . 1 . . . B 288 ASP CA . 30159 2 559 . 2 2 120 120 ASP CB C 13 42.687 0.033 . 1 . . . B 288 ASP CB . 30159 2 560 . 2 2 120 120 ASP N N 15 120.784 0.036 . 1 . . . B 288 ASP N . 30159 2 561 . 2 2 121 121 ASN C C 13 176.772 0.033 . 1 . . . B 289 ASN C . 30159 2 562 . 2 2 121 121 ASN CA C 13 56.495 0.033 . 1 . . . B 289 ASN CA . 30159 2 563 . 2 2 122 122 TYR H H 1 8.378 0.005 . 1 . . . B 290 TYR H . 30159 2 564 . 2 2 122 122 TYR C C 13 177.766 0.033 . 1 . . . B 290 TYR C . 30159 2 565 . 2 2 122 122 TYR CA C 13 60.762 0.033 . 1 . . . B 290 TYR CA . 30159 2 566 . 2 2 122 122 TYR CB C 13 37.297 0.033 . 1 . . . B 290 TYR CB . 30159 2 567 . 2 2 122 122 TYR N N 15 119.918 0.036 . 1 . . . B 290 TYR N . 30159 2 568 . 2 2 123 123 LEU H H 1 7.804 0.005 . 1 . . . B 291 LEU H . 30159 2 569 . 2 2 123 123 LEU C C 13 179.382 0.033 . 1 . . . B 291 LEU C . 30159 2 570 . 2 2 123 123 LEU CA C 13 56.758 0.033 . 1 . . . B 291 LEU CA . 30159 2 571 . 2 2 123 123 LEU CB C 13 40.928 0.033 . 1 . . . B 291 LEU CB . 30159 2 572 . 2 2 123 123 LEU N N 15 118.785 0.036 . 1 . . . B 291 LEU N . 30159 2 573 . 2 2 124 124 LYS H H 1 8.256 0.005 . 1 . . . B 292 LYS H . 30159 2 574 . 2 2 124 124 LYS C C 13 180.951 0.033 . 1 . . . B 292 LYS C . 30159 2 575 . 2 2 124 124 LYS CA C 13 59.437 0.033 . 1 . . . B 292 LYS CA . 30159 2 576 . 2 2 124 124 LYS CB C 13 31.791 0.033 . 1 . . . B 292 LYS CB . 30159 2 577 . 2 2 124 124 LYS N N 15 119.260 0.036 . 1 . . . B 292 LYS N . 30159 2 578 . 2 2 125 125 GLU H H 1 7.560 0.005 . 1 . . . B 293 GLU H . 30159 2 579 . 2 2 125 125 GLU C C 13 178.666 0.033 . 1 . . . B 293 GLU C . 30159 2 580 . 2 2 125 125 GLU CA C 13 58.096 0.033 . 1 . . . B 293 GLU CA . 30159 2 581 . 2 2 125 125 GLU CB C 13 28.325 0.033 . 1 . . . B 293 GLU CB . 30159 2 582 . 2 2 125 125 GLU N N 15 117.681 0.036 . 1 . . . B 293 GLU N . 30159 2 583 . 2 2 126 126 ARG H H 1 7.684 0.005 . 1 . . . B 294 ARG H . 30159 2 584 . 2 2 126 126 ARG C C 13 178.404 0.033 . 1 . . . B 294 ARG C . 30159 2 585 . 2 2 126 126 ARG CA C 13 56.964 0.033 . 1 . . . B 294 ARG CA . 30159 2 586 . 2 2 126 126 ARG CB C 13 29.288 0.033 . 1 . . . B 294 ARG CB . 30159 2 587 . 2 2 126 126 ARG N N 15 117.667 0.036 . 1 . . . B 294 ARG N . 30159 2 588 . 2 2 127 127 ALA H H 1 7.703 0.005 . 1 . . . B 295 ALA H . 30159 2 589 . 2 2 127 127 ALA C C 13 179.560 0.033 . 1 . . . B 295 ALA C . 30159 2 590 . 2 2 127 127 ALA CA C 13 55.582 0.033 . 1 . . . B 295 ALA CA . 30159 2 591 . 2 2 127 127 ALA CB C 13 17.944 0.033 . 1 . . . B 295 ALA CB . 30159 2 592 . 2 2 127 127 ALA N N 15 121.068 0.036 . 1 . . . B 295 ALA N . 30159 2 593 . 2 2 128 128 GLY H H 1 7.502 0.005 . 1 . . . B 296 GLY H . 30159 2 594 . 2 2 128 128 GLY C C 13 177.081 0.033 . 1 . . . B 296 GLY C . 30159 2 595 . 2 2 128 128 GLY CA C 13 46.443 0.033 . 1 . . . B 296 GLY CA . 30159 2 596 . 2 2 128 128 GLY N N 15 103.566 0.036 . 1 . . . B 296 GLY N . 30159 2 597 . 2 2 129 129 ASP H H 1 7.157 0.005 . 1 . . . B 297 ASP H . 30159 2 598 . 2 2 129 129 ASP C C 13 177.740 0.033 . 1 . . . B 297 ASP C . 30159 2 599 . 2 2 129 129 ASP CA C 13 56.683 0.033 . 1 . . . B 297 ASP CA . 30159 2 600 . 2 2 129 129 ASP CB C 13 40.113 0.033 . 1 . . . B 297 ASP CB . 30159 2 601 . 2 2 129 129 ASP N N 15 122.733 0.036 . 1 . . . B 297 ASP N . 30159 2 602 . 2 2 130 130 LEU H H 1 7.709 0.005 . 1 . . . B 298 LEU H . 30159 2 603 . 2 2 130 130 LEU C C 13 178.374 0.033 . 1 . . . B 298 LEU C . 30159 2 604 . 2 2 130 130 LEU CA C 13 57.243 0.033 . 1 . . . B 298 LEU CA . 30159 2 605 . 2 2 130 130 LEU CB C 13 40.066 0.033 . 1 . . . B 298 LEU CB . 30159 2 606 . 2 2 130 130 LEU N N 15 119.163 0.036 . 1 . . . B 298 LEU N . 30159 2 607 . 2 2 131 131 ARG H H 1 7.806 0.005 . 1 . . . B 299 ARG H . 30159 2 608 . 2 2 131 131 ARG C C 13 178.670 0.033 . 1 . . . B 299 ARG C . 30159 2 609 . 2 2 131 131 ARG CA C 13 60.561 0.033 . 1 . . . B 299 ARG CA . 30159 2 610 . 2 2 131 131 ARG CB C 13 28.541 0.033 . 1 . . . B 299 ARG CB . 30159 2 611 . 2 2 131 131 ARG N N 15 117.205 0.036 . 1 . . . B 299 ARG N . 30159 2 612 . 2 2 132 132 ALA H H 1 8.026 0.005 . 1 . . . B 300 ALA H . 30159 2 613 . 2 2 132 132 ALA C C 13 180.964 0.033 . 1 . . . B 300 ALA C . 30159 2 614 . 2 2 132 132 ALA CA C 13 54.814 0.033 . 1 . . . B 300 ALA CA . 30159 2 615 . 2 2 132 132 ALA CB C 13 17.236 0.033 . 1 . . . B 300 ALA CB . 30159 2 616 . 2 2 132 132 ALA N N 15 123.223 0.036 . 1 . . . B 300 ALA N . 30159 2 617 . 2 2 133 133 LEU H H 1 8.202 0.005 . 1 . . . B 301 LEU H . 30159 2 618 . 2 2 133 133 LEU C C 13 179.287 0.033 . 1 . . . B 301 LEU C . 30159 2 619 . 2 2 133 133 LEU CA C 13 58.109 0.033 . 1 . . . B 301 LEU CA . 30159 2 620 . 2 2 133 133 LEU CB C 13 40.625 0.033 . 1 . . . B 301 LEU CB . 30159 2 621 . 2 2 133 133 LEU N N 15 120.387 0.036 . 1 . . . B 301 LEU N . 30159 2 622 . 2 2 134 134 GLY H H 1 8.577 0.005 . 1 . . . B 302 GLY H . 30159 2 623 . 2 2 134 134 GLY C C 13 174.466 0.033 . 1 . . . B 302 GLY C . 30159 2 624 . 2 2 134 134 GLY CA C 13 47.830 0.033 . 1 . . . B 302 GLY CA . 30159 2 625 . 2 2 134 134 GLY N N 15 106.018 0.036 . 1 . . . B 302 GLY N . 30159 2 626 . 2 2 135 135 GLN H H 1 8.059 0.005 . 1 . . . B 303 GLN H . 30159 2 627 . 2 2 135 135 GLN C C 13 178.366 0.033 . 1 . . . B 303 GLN C . 30159 2 628 . 2 2 135 135 GLN CA C 13 59.115 0.033 . 1 . . . B 303 GLN CA . 30159 2 629 . 2 2 135 135 GLN CB C 13 27.281 0.033 . 1 . . . B 303 GLN CB . 30159 2 630 . 2 2 135 135 GLN N N 15 119.337 0.036 . 1 . . . B 303 GLN N . 30159 2 631 . 2 2 136 136 ARG H H 1 7.787 0.005 . 1 . . . B 304 ARG H . 30159 2 632 . 2 2 136 136 ARG C C 13 178.786 0.033 . 1 . . . B 304 ARG C . 30159 2 633 . 2 2 136 136 ARG CA C 13 55.856 0.033 . 1 . . . B 304 ARG CA . 30159 2 634 . 2 2 136 136 ARG CB C 13 27.286 0.033 . 1 . . . B 304 ARG CB . 30159 2 635 . 2 2 136 136 ARG N N 15 116.335 0.036 . 1 . . . B 304 ARG N . 30159 2 636 . 2 2 137 137 LEU H H 1 8.554 0.005 . 1 . . . B 305 LEU H . 30159 2 637 . 2 2 137 137 LEU C C 13 178.738 0.033 . 1 . . . B 305 LEU C . 30159 2 638 . 2 2 137 137 LEU CA C 13 58.181 0.033 . 1 . . . B 305 LEU CA . 30159 2 639 . 2 2 137 137 LEU CB C 13 41.225 0.033 . 1 . . . B 305 LEU CB . 30159 2 640 . 2 2 137 137 LEU N N 15 118.818 0.036 . 1 . . . B 305 LEU N . 30159 2 641 . 2 2 138 138 LEU H H 1 8.130 0.005 . 1 . . . B 306 LEU H . 30159 2 642 . 2 2 138 138 LEU C C 13 179.798 0.033 . 1 . . . B 306 LEU C . 30159 2 643 . 2 2 138 138 LEU CA C 13 57.558 0.033 . 1 . . . B 306 LEU CA . 30159 2 644 . 2 2 138 138 LEU CB C 13 40.113 0.033 . 1 . . . B 306 LEU CB . 30159 2 645 . 2 2 138 138 LEU N N 15 115.746 0.036 . 1 . . . B 306 LEU N . 30159 2 646 . 2 2 139 139 PHE H H 1 8.183 0.005 . 1 . . . B 307 PHE H . 30159 2 647 . 2 2 139 139 PHE C C 13 177.877 0.033 . 1 . . . B 307 PHE C . 30159 2 648 . 2 2 139 139 PHE CA C 13 61.288 0.033 . 1 . . . B 307 PHE CA . 30159 2 649 . 2 2 139 139 PHE CB C 13 38.063 0.033 . 1 . . . B 307 PHE CB . 30159 2 650 . 2 2 139 139 PHE N N 15 121.613 0.036 . 1 . . . B 307 PHE N . 30159 2 651 . 2 2 140 140 HIS H H 1 7.931 0.005 . 1 . . . B 308 HIS H . 30159 2 652 . 2 2 140 140 HIS C C 13 177.318 0.033 . 1 . . . B 308 HIS C . 30159 2 653 . 2 2 140 140 HIS CA C 13 58.777 0.033 . 1 . . . B 308 HIS CA . 30159 2 654 . 2 2 140 140 HIS CB C 13 30.405 0.033 . 1 . . . B 308 HIS CB . 30159 2 655 . 2 2 140 140 HIS N N 15 116.610 0.036 . 1 . . . B 308 HIS N . 30159 2 656 . 2 2 141 141 LEU H H 1 7.787 0.005 . 1 . . . B 309 LEU H . 30159 2 657 . 2 2 141 141 LEU C C 13 176.080 0.033 . 1 . . . B 309 LEU C . 30159 2 658 . 2 2 141 141 LEU CA C 13 55.797 0.033 . 1 . . . B 309 LEU CA . 30159 2 659 . 2 2 141 141 LEU CB C 13 41.505 0.033 . 1 . . . B 309 LEU CB . 30159 2 660 . 2 2 141 141 LEU N N 15 120.222 0.036 . 1 . . . B 309 LEU N . 30159 2 661 . 2 2 142 142 ASP H H 1 7.058 0.005 . 1 . . . B 310 ASP H . 30159 2 662 . 2 2 142 142 ASP C C 13 176.285 0.033 . 1 . . . B 310 ASP C . 30159 2 663 . 2 2 142 142 ASP CA C 13 53.045 0.033 . 1 . . . B 310 ASP CA . 30159 2 664 . 2 2 142 142 ASP CB C 13 40.872 0.033 . 1 . . . B 310 ASP CB . 30159 2 665 . 2 2 142 142 ASP N N 15 118.347 0.036 . 1 . . . B 310 ASP N . 30159 2 666 . 2 2 143 143 ASP H H 1 8.373 0.005 . 1 . . . B 311 ASP H . 30159 2 667 . 2 2 143 143 ASP C C 13 176.938 0.033 . 1 . . . B 311 ASP C . 30159 2 668 . 2 2 143 143 ASP CA C 13 54.904 0.033 . 1 . . . B 311 ASP CA . 30159 2 669 . 2 2 143 143 ASP CB C 13 40.123 0.033 . 1 . . . B 311 ASP CB . 30159 2 670 . 2 2 143 143 ASP N N 15 124.408 0.036 . 1 . . . B 311 ASP N . 30159 2 671 . 2 2 144 144 ALA H H 1 8.258 0.005 . 1 . . . B 312 ALA H . 30159 2 672 . 2 2 144 144 ALA C C 13 178.048 0.033 . 1 . . . B 312 ALA C . 30159 2 673 . 2 2 144 144 ALA CA C 13 52.537 0.033 . 1 . . . B 312 ALA CA . 30159 2 674 . 2 2 144 144 ALA CB C 13 18.103 0.033 . 1 . . . B 312 ALA CB . 30159 2 675 . 2 2 144 144 ALA N N 15 121.959 0.036 . 1 . . . B 312 ALA N . 30159 2 676 . 2 2 145 145 ASN H H 1 7.676 0.005 . 1 . . . B 313 ASN H . 30159 2 677 . 2 2 145 145 ASN C C 13 174.808 0.033 . 1 . . . B 313 ASN C . 30159 2 678 . 2 2 145 145 ASN CA C 13 52.760 0.033 . 1 . . . B 313 ASN CA . 30159 2 679 . 2 2 145 145 ASN CB C 13 38.027 0.033 . 1 . . . B 313 ASN CB . 30159 2 680 . 2 2 145 145 ASN N N 15 116.602 0.036 . 1 . . . B 313 ASN N . 30159 2 681 . 2 2 146 146 GLN H H 1 8.149 0.005 . 1 . . . B 314 GLN H . 30159 2 682 . 2 2 146 146 GLN C C 13 176.507 0.033 . 1 . . . B 314 GLN C . 30159 2 683 . 2 2 146 146 GLN CA C 13 55.121 0.033 . 1 . . . B 314 GLN CA . 30159 2 684 . 2 2 146 146 GLN CB C 13 28.745 0.033 . 1 . . . B 314 GLN CB . 30159 2 685 . 2 2 146 146 GLN N N 15 120.184 0.036 . 1 . . . B 314 GLN N . 30159 2 686 . 2 2 147 147 GLY H H 1 8.364 0.005 . 1 . . . B 315 GLY H . 30159 2 687 . 2 2 147 147 GLY C C 13 171.589 0.033 . 1 . . . B 315 GLY C . 30159 2 688 . 2 2 147 147 GLY CA C 13 44.045 0.033 . 1 . . . B 315 GLY CA . 30159 2 689 . 2 2 147 147 GLY N N 15 109.681 0.036 . 1 . . . B 315 GLY N . 30159 2 690 . 2 2 150 150 ALA C C 13 175.857 0.033 . 1 . . . B 318 ALA C . 30159 2 691 . 2 2 150 150 ALA CA C 13 51.108 0.033 . 1 . . . B 318 ALA CA . 30159 2 692 . 2 2 150 150 ALA CB C 13 18.347 0.033 . 1 . . . B 318 ALA CB . 30159 2 693 . 2 2 151 151 TRP H H 1 7.594 0.005 . 1 . . . B 319 TRP H . 30159 2 694 . 2 2 151 151 TRP C C 13 174.517 0.033 . 1 . . . B 319 TRP C . 30159 2 695 . 2 2 151 151 TRP CA C 13 55.433 0.033 . 1 . . . B 319 TRP CA . 30159 2 696 . 2 2 151 151 TRP CB C 13 28.981 0.033 . 1 . . . B 319 TRP CB . 30159 2 697 . 2 2 151 151 TRP N N 15 120.203 0.036 . 1 . . . B 319 TRP N . 30159 2 698 . 2 2 152 152 PRO C C 13 175.708 0.033 . 1 . . . B 320 PRO C . 30159 2 699 . 2 2 152 152 PRO CA C 13 61.651 0.033 . 1 . . . B 320 PRO CA . 30159 2 700 . 2 2 152 152 PRO CB C 13 31.448 0.033 . 1 . . . B 320 PRO CB . 30159 2 701 . 2 2 153 153 GLU H H 1 8.587 0.005 . 1 . . . B 321 GLU H . 30159 2 702 . 2 2 153 153 GLU C C 13 176.596 0.033 . 1 . . . B 321 GLU C . 30159 2 703 . 2 2 153 153 GLU CA C 13 59.618 0.033 . 1 . . . B 321 GLU CA . 30159 2 704 . 2 2 153 153 GLU CB C 13 29.090 0.033 . 1 . . . B 321 GLU CB . 30159 2 705 . 2 2 153 153 GLU N N 15 119.411 0.036 . 1 . . . B 321 GLU N . 30159 2 706 . 2 2 154 154 ARG H H 1 7.289 0.005 . 1 . . . B 322 ARG H . 30159 2 707 . 2 2 154 154 ARG C C 13 175.886 0.033 . 1 . . . B 322 ARG C . 30159 2 708 . 2 2 154 154 ARG CA C 13 54.504 0.033 . 1 . . . B 322 ARG CA . 30159 2 709 . 2 2 154 154 ARG CB C 13 33.234 0.033 . 1 . . . B 322 ARG CB . 30159 2 710 . 2 2 154 154 ARG N N 15 111.918 0.036 . 1 . . . B 322 ARG N . 30159 2 711 . 2 2 155 155 PHE H H 1 8.620 0.005 . 1 . . . B 323 PHE H . 30159 2 712 . 2 2 155 155 PHE C C 13 172.471 0.033 . 1 . . . B 323 PHE C . 30159 2 713 . 2 2 155 155 PHE CA C 13 56.005 0.033 . 1 . . . B 323 PHE CA . 30159 2 714 . 2 2 155 155 PHE CB C 13 41.013 0.033 . 1 . . . B 323 PHE CB . 30159 2 715 . 2 2 155 155 PHE N N 15 117.237 0.036 . 1 . . . B 323 PHE N . 30159 2 716 . 2 2 156 156 ILE H H 1 8.651 0.005 . 1 . . . B 324 ILE H . 30159 2 717 . 2 2 156 156 ILE C C 13 175.823 0.033 . 1 . . . B 324 ILE C . 30159 2 718 . 2 2 156 156 ILE CA C 13 57.504 0.033 . 1 . . . B 324 ILE CA . 30159 2 719 . 2 2 156 156 ILE CB C 13 39.674 0.033 . 1 . . . B 324 ILE CB . 30159 2 720 . 2 2 156 156 ILE N N 15 121.911 0.036 . 1 . . . B 324 ILE N . 30159 2 721 . 2 2 157 157 LEU H H 1 8.211 0.005 . 1 . . . B 325 LEU H . 30159 2 722 . 2 2 157 157 LEU C C 13 174.489 0.033 . 1 . . . B 325 LEU C . 30159 2 723 . 2 2 157 157 LEU CA C 13 54.833 0.033 . 1 . . . B 325 LEU CA . 30159 2 724 . 2 2 157 157 LEU CB C 13 43.582 0.033 . 1 . . . B 325 LEU CB . 30159 2 725 . 2 2 157 157 LEU N N 15 130.021 0.036 . 1 . . . B 325 LEU N . 30159 2 726 . 2 2 158 158 VAL H H 1 8.683 0.005 . 1 . . . B 326 VAL H . 30159 2 727 . 2 2 158 158 VAL C C 13 174.682 0.033 . 1 . . . B 326 VAL C . 30159 2 728 . 2 2 158 158 VAL CA C 13 59.191 0.033 . 1 . . . B 326 VAL CA . 30159 2 729 . 2 2 158 158 VAL CB C 13 31.816 0.033 . 1 . . . B 326 VAL CB . 30159 2 730 . 2 2 158 158 VAL N N 15 124.586 0.036 . 1 . . . B 326 VAL N . 30159 2 731 . 2 2 159 159 ALA H H 1 8.624 0.005 . 1 . . . B 327 ALA H . 30159 2 732 . 2 2 159 159 ALA C C 13 175.714 0.033 . 1 . . . B 327 ALA C . 30159 2 733 . 2 2 159 159 ALA CA C 13 49.871 0.033 . 1 . . . B 327 ALA CA . 30159 2 734 . 2 2 159 159 ALA CB C 13 22.546 0.033 . 1 . . . B 327 ALA CB . 30159 2 735 . 2 2 159 159 ALA N N 15 126.256 0.036 . 1 . . . B 327 ALA N . 30159 2 736 . 2 2 160 160 ASP H H 1 8.922 0.005 . 1 . . . B 328 ASP H . 30159 2 737 . 2 2 160 160 ASP C C 13 175.736 0.033 . 1 . . . B 328 ASP C . 30159 2 738 . 2 2 160 160 ASP CA C 13 56.901 0.033 . 1 . . . B 328 ASP CA . 30159 2 739 . 2 2 160 160 ASP CB C 13 41.336 0.033 . 1 . . . B 328 ASP CB . 30159 2 740 . 2 2 160 160 ASP N N 15 121.051 0.036 . 1 . . . B 328 ASP N . 30159 2 741 . 2 2 161 161 GLU H H 1 7.691 0.005 . 1 . . . B 329 GLU H . 30159 2 742 . 2 2 161 161 GLU C C 13 174.185 0.033 . 1 . . . B 329 GLU C . 30159 2 743 . 2 2 161 161 GLU CA C 13 54.193 0.033 . 1 . . . B 329 GLU CA . 30159 2 744 . 2 2 161 161 GLU CB C 13 32.187 0.033 . 1 . . . B 329 GLU CB . 30159 2 745 . 2 2 161 161 GLU N N 15 114.524 0.036 . 1 . . . B 329 GLU N . 30159 2 746 . 2 2 162 162 LEU H H 1 8.980 0.005 . 1 . . . B 330 LEU H . 30159 2 747 . 2 2 162 162 LEU C C 13 175.027 0.033 . 1 . . . B 330 LEU C . 30159 2 748 . 2 2 162 162 LEU CA C 13 53.444 0.033 . 1 . . . B 330 LEU CA . 30159 2 749 . 2 2 162 162 LEU CB C 13 43.304 0.033 . 1 . . . B 330 LEU CB . 30159 2 750 . 2 2 162 162 LEU N N 15 122.917 0.036 . 1 . . . B 330 LEU N . 30159 2 751 . 2 2 163 163 SER H H 1 8.170 0.005 . 1 . . . B 331 SER H . 30159 2 752 . 2 2 163 163 SER C C 13 174.557 0.033 . 1 . . . B 331 SER C . 30159 2 753 . 2 2 163 163 SER CA C 13 55.420 0.033 . 1 . . . B 331 SER CA . 30159 2 754 . 2 2 163 163 SER CB C 13 64.157 0.033 . 1 . . . B 331 SER CB . 30159 2 755 . 2 2 163 163 SER N N 15 118.830 0.036 . 1 . . . B 331 SER N . 30159 2 756 . 2 2 164 164 ALA H H 1 9.184 0.005 . 1 . . . B 332 ALA H . 30159 2 757 . 2 2 164 164 ALA C C 13 179.282 0.033 . 1 . . . B 332 ALA C . 30159 2 758 . 2 2 164 164 ALA CA C 13 55.022 0.033 . 1 . . . B 332 ALA CA . 30159 2 759 . 2 2 164 164 ALA CB C 13 18.029 0.033 . 1 . . . B 332 ALA CB . 30159 2 760 . 2 2 164 164 ALA N N 15 128.238 0.036 . 1 . . . B 332 ALA N . 30159 2 761 . 2 2 165 165 THR H H 1 8.119 0.005 . 1 . . . B 333 THR H . 30159 2 762 . 2 2 165 165 THR C C 13 176.390 0.033 . 1 . . . B 333 THR C . 30159 2 763 . 2 2 165 165 THR CA C 13 65.536 0.033 . 1 . . . B 333 THR CA . 30159 2 764 . 2 2 165 165 THR CB C 13 66.845 0.033 . 1 . . . B 333 THR CB . 30159 2 765 . 2 2 165 165 THR N N 15 108.097 0.036 . 1 . . . B 333 THR N . 30159 2 766 . 2 2 166 166 THR H H 1 7.375 0.005 . 1 . . . B 334 THR H . 30159 2 767 . 2 2 166 166 THR C C 13 176.300 0.033 . 1 . . . B 334 THR C . 30159 2 768 . 2 2 166 166 THR CA C 13 65.802 0.033 . 1 . . . B 334 THR CA . 30159 2 769 . 2 2 166 166 THR CB C 13 68.130 0.033 . 1 . . . B 334 THR CB . 30159 2 770 . 2 2 166 166 THR N N 15 118.613 0.036 . 1 . . . B 334 THR N . 30159 2 771 . 2 2 167 167 LEU H H 1 7.477 0.005 . 1 . . . B 335 LEU H . 30159 2 772 . 2 2 167 167 LEU C C 13 178.143 0.033 . 1 . . . B 335 LEU C . 30159 2 773 . 2 2 167 167 LEU CA C 13 57.044 0.033 . 1 . . . B 335 LEU CA . 30159 2 774 . 2 2 167 167 LEU CB C 13 41.181 0.033 . 1 . . . B 335 LEU CB . 30159 2 775 . 2 2 167 167 LEU N N 15 117.064 0.036 . 1 . . . B 335 LEU N . 30159 2 776 . 2 2 168 168 ALA H H 1 7.630 0.005 . 1 . . . B 336 ALA H . 30159 2 777 . 2 2 168 168 ALA C C 13 177.301 0.033 . 1 . . . B 336 ALA C . 30159 2 778 . 2 2 168 168 ALA CA C 13 53.824 0.033 . 1 . . . B 336 ALA CA . 30159 2 779 . 2 2 168 168 ALA CB C 13 16.805 0.033 . 1 . . . B 336 ALA CB . 30159 2 780 . 2 2 168 168 ALA N N 15 118.291 0.036 . 1 . . . B 336 ALA N . 30159 2 781 . 2 2 169 169 GLU H H 1 7.323 0.005 . 1 . . . B 337 GLU H . 30159 2 782 . 2 2 169 169 GLU C C 13 176.823 0.033 . 1 . . . B 337 GLU C . 30159 2 783 . 2 2 169 169 GLU CA C 13 56.322 0.033 . 1 . . . B 337 GLU CA . 30159 2 784 . 2 2 169 169 GLU CB C 13 29.888 0.033 . 1 . . . B 337 GLU CB . 30159 2 785 . 2 2 169 169 GLU N N 15 115.224 0.036 . 1 . . . B 337 GLU N . 30159 2 786 . 2 2 170 170 LEU H H 1 6.940 0.005 . 1 . . . B 338 LEU H . 30159 2 787 . 2 2 170 170 LEU C C 13 174.543 0.033 . 1 . . . B 338 LEU C . 30159 2 788 . 2 2 170 170 LEU CA C 13 52.366 0.033 . 1 . . . B 338 LEU CA . 30159 2 789 . 2 2 170 170 LEU CB C 13 40.327 0.033 . 1 . . . B 338 LEU CB . 30159 2 790 . 2 2 170 170 LEU N N 15 118.312 0.036 . 1 . . . B 338 LEU N . 30159 2 791 . 2 2 171 171 PRO C C 13 177.969 0.033 . 1 . . . B 339 PRO C . 30159 2 792 . 2 2 171 171 PRO CA C 13 61.747 0.033 . 1 . . . B 339 PRO CA . 30159 2 793 . 2 2 171 171 PRO CB C 13 29.909 0.033 . 1 . . . B 339 PRO CB . 30159 2 794 . 2 2 172 172 GLN H H 1 8.687 0.005 . 1 . . . B 340 GLN H . 30159 2 795 . 2 2 172 172 GLN C C 13 176.271 0.033 . 1 . . . B 340 GLN C . 30159 2 796 . 2 2 172 172 GLN CA C 13 57.913 0.033 . 1 . . . B 340 GLN CA . 30159 2 797 . 2 2 172 172 GLN CB C 13 27.931 0.033 . 1 . . . B 340 GLN CB . 30159 2 798 . 2 2 172 172 GLN N N 15 126.982 0.036 . 1 . . . B 340 GLN N . 30159 2 799 . 2 2 173 173 ASP H H 1 8.806 0.005 . 1 . . . B 341 ASP H . 30159 2 800 . 2 2 173 173 ASP C C 13 176.070 0.033 . 1 . . . B 341 ASP C . 30159 2 801 . 2 2 173 173 ASP CA C 13 54.213 0.033 . 1 . . . B 341 ASP CA . 30159 2 802 . 2 2 173 173 ASP CB C 13 38.703 0.033 . 1 . . . B 341 ASP CB . 30159 2 803 . 2 2 173 173 ASP N N 15 113.627 0.036 . 1 . . . B 341 ASP N . 30159 2 804 . 2 2 174 174 ARG H H 1 7.014 0.005 . 1 . . . B 342 ARG H . 30159 2 805 . 2 2 174 174 ARG C C 13 173.568 0.033 . 1 . . . B 342 ARG C . 30159 2 806 . 2 2 174 174 ARG CA C 13 55.952 0.033 . 1 . . . B 342 ARG CA . 30159 2 807 . 2 2 174 174 ARG CB C 13 31.890 0.033 . 1 . . . B 342 ARG CB . 30159 2 808 . 2 2 174 174 ARG N N 15 116.824 0.036 . 1 . . . B 342 ARG N . 30159 2 809 . 2 2 175 175 LEU H H 1 6.600 0.005 . 1 . . . B 343 LEU H . 30159 2 810 . 2 2 175 175 LEU C C 13 176.461 0.033 . 1 . . . B 343 LEU C . 30159 2 811 . 2 2 175 175 LEU CA C 13 53.644 0.033 . 1 . . . B 343 LEU CA . 30159 2 812 . 2 2 175 175 LEU CB C 13 40.940 0.033 . 1 . . . B 343 LEU CB . 30159 2 813 . 2 2 175 175 LEU N N 15 119.632 0.036 . 1 . . . B 343 LEU N . 30159 2 814 . 2 2 176 176 VAL H H 1 8.319 0.005 . 1 . . . B 344 VAL H . 30159 2 815 . 2 2 176 176 VAL C C 13 175.049 0.033 . 1 . . . B 344 VAL C . 30159 2 816 . 2 2 176 176 VAL CA C 13 59.874 0.033 . 1 . . . B 344 VAL CA . 30159 2 817 . 2 2 176 176 VAL CB C 13 31.805 0.033 . 1 . . . B 344 VAL CB . 30159 2 818 . 2 2 176 176 VAL N N 15 117.490 0.036 . 1 . . . B 344 VAL N . 30159 2 819 . 2 2 177 177 GLY H H 1 7.046 0.005 . 1 . . . B 345 GLY H . 30159 2 820 . 2 2 177 177 GLY C C 13 170.227 0.033 . 1 . . . B 345 GLY C . 30159 2 821 . 2 2 177 177 GLY CA C 13 45.061 0.033 . 1 . . . B 345 GLY CA . 30159 2 822 . 2 2 177 177 GLY N N 15 104.157 0.036 . 1 . . . B 345 GLY N . 30159 2 823 . 2 2 178 178 VAL H H 1 8.669 0.005 . 1 . . . B 346 VAL H . 30159 2 824 . 2 2 178 178 VAL C C 13 173.345 0.033 . 1 . . . B 346 VAL C . 30159 2 825 . 2 2 178 178 VAL CA C 13 61.465 0.033 . 1 . . . B 346 VAL CA . 30159 2 826 . 2 2 178 178 VAL CB C 13 34.669 0.033 . 1 . . . B 346 VAL CB . 30159 2 827 . 2 2 178 178 VAL N N 15 120.341 0.036 . 1 . . . B 346 VAL N . 30159 2 828 . 2 2 179 179 VAL H H 1 9.155 0.005 . 1 . . . B 347 VAL H . 30159 2 829 . 2 2 179 179 VAL C C 13 173.320 0.033 . 1 . . . B 347 VAL C . 30159 2 830 . 2 2 179 179 VAL CA C 13 60.010 0.033 . 1 . . . B 347 VAL CA . 30159 2 831 . 2 2 179 179 VAL CB C 13 33.708 0.033 . 1 . . . B 347 VAL CB . 30159 2 832 . 2 2 179 179 VAL N N 15 125.787 0.036 . 1 . . . B 347 VAL N . 30159 2 833 . 2 2 180 180 VAL H H 1 8.157 0.005 . 1 . . . B 348 VAL H . 30159 2 834 . 2 2 180 180 VAL C C 13 175.614 0.033 . 1 . . . B 348 VAL C . 30159 2 835 . 2 2 180 180 VAL CA C 13 57.597 0.033 . 1 . . . B 348 VAL CA . 30159 2 836 . 2 2 180 180 VAL CB C 13 34.597 0.033 . 1 . . . B 348 VAL CB . 30159 2 837 . 2 2 180 180 VAL N N 15 121.380 0.036 . 1 . . . B 348 VAL N . 30159 2 838 . 2 2 181 181 ARG H H 1 8.101 0.005 . 1 . . . B 349 ARG H . 30159 2 839 . 2 2 181 181 ARG C C 13 177.641 0.033 . 1 . . . B 349 ARG C . 30159 2 840 . 2 2 181 181 ARG CA C 13 57.409 0.033 . 1 . . . B 349 ARG CA . 30159 2 841 . 2 2 181 181 ARG CB C 13 30.280 0.033 . 1 . . . B 349 ARG CB . 30159 2 842 . 2 2 181 181 ARG N N 15 125.339 0.036 . 1 . . . B 349 ARG N . 30159 2 843 . 2 2 182 182 ASP H H 1 7.784 0.005 . 1 . . . B 350 ASP H . 30159 2 844 . 2 2 182 182 ASP C C 13 176.913 0.033 . 1 . . . B 350 ASP C . 30159 2 845 . 2 2 182 182 ASP CA C 13 54.726 0.033 . 1 . . . B 350 ASP CA . 30159 2 846 . 2 2 182 182 ASP CB C 13 41.881 0.033 . 1 . . . B 350 ASP CB . 30159 2 847 . 2 2 182 182 ASP N N 15 117.970 0.036 . 1 . . . B 350 ASP N . 30159 2 848 . 2 2 183 183 GLY H H 1 8.259 0.005 . 1 . . . B 351 GLY H . 30159 2 849 . 2 2 183 183 GLY C C 13 173.851 0.033 . 1 . . . B 351 GLY C . 30159 2 850 . 2 2 183 183 GLY CA C 13 44.689 0.033 . 1 . . . B 351 GLY CA . 30159 2 851 . 2 2 183 183 GLY N N 15 110.741 0.036 . 1 . . . B 351 GLY N . 30159 2 852 . 2 2 184 184 ALA H H 1 7.824 0.005 . 1 . . . B 352 ALA H . 30159 2 853 . 2 2 184 184 ALA C C 13 176.916 0.033 . 1 . . . B 352 ALA C . 30159 2 854 . 2 2 184 184 ALA CA C 13 51.442 0.033 . 1 . . . B 352 ALA CA . 30159 2 855 . 2 2 184 184 ALA CB C 13 17.950 0.033 . 1 . . . B 352 ALA CB . 30159 2 856 . 2 2 184 184 ALA N N 15 123.882 0.036 . 1 . . . B 352 ALA N . 30159 2 857 . 2 2 185 185 ALA H H 1 8.153 0.005 . 1 . . . B 353 ALA H . 30159 2 858 . 2 2 185 185 ALA C C 13 176.882 0.033 . 1 . . . B 353 ALA C . 30159 2 859 . 2 2 185 185 ALA CA C 13 52.594 0.033 . 1 . . . B 353 ALA CA . 30159 2 860 . 2 2 185 185 ALA CB C 13 18.303 0.033 . 1 . . . B 353 ALA CB . 30159 2 861 . 2 2 185 185 ALA N N 15 124.382 0.036 . 1 . . . B 353 ALA N . 30159 2 862 . 2 2 187 187 SER C C 13 175.292 0.033 . 1 . . . B 355 SER C . 30159 2 863 . 2 2 188 188 GLN H H 1 8.764 0.005 . 1 . . . B 356 GLN H . 30159 2 864 . 2 2 188 188 GLN C C 13 178.155 0.033 . 1 . . . B 356 GLN C . 30159 2 865 . 2 2 188 188 GLN CA C 13 58.368 0.033 . 1 . . . B 356 GLN CA . 30159 2 866 . 2 2 188 188 GLN CB C 13 27.791 0.033 . 1 . . . B 356 GLN CB . 30159 2 867 . 2 2 188 188 GLN N N 15 119.951 0.036 . 1 . . . B 356 GLN N . 30159 2 868 . 2 2 189 189 ALA H H 1 8.235 0.005 . 1 . . . B 357 ALA H . 30159 2 869 . 2 2 189 189 ALA C C 13 178.211 0.033 . 1 . . . B 357 ALA C . 30159 2 870 . 2 2 189 189 ALA CA C 13 54.388 0.033 . 1 . . . B 357 ALA CA . 30159 2 871 . 2 2 189 189 ALA CB C 13 17.402 0.033 . 1 . . . B 357 ALA CB . 30159 2 872 . 2 2 189 189 ALA N N 15 119.817 0.036 . 1 . . . B 357 ALA N . 30159 2 873 . 2 2 190 190 ALA H H 1 7.659 0.005 . 1 . . . B 358 ALA H . 30159 2 874 . 2 2 190 190 ALA C C 13 179.602 0.033 . 1 . . . B 358 ALA C . 30159 2 875 . 2 2 190 190 ALA CA C 13 54.128 0.033 . 1 . . . B 358 ALA CA . 30159 2 876 . 2 2 190 190 ALA CB C 13 17.111 0.033 . 1 . . . B 358 ALA CB . 30159 2 877 . 2 2 190 190 ALA N N 15 119.766 0.036 . 1 . . . B 358 ALA N . 30159 2 878 . 2 2 191 191 ILE H H 1 7.638 0.005 . 1 . . . B 359 ILE H . 30159 2 879 . 2 2 191 191 ILE C C 13 179.074 0.033 . 1 . . . B 359 ILE C . 30159 2 880 . 2 2 191 191 ILE CA C 13 64.358 0.033 . 1 . . . B 359 ILE CA . 30159 2 881 . 2 2 191 191 ILE CB C 13 37.023 0.033 . 1 . . . B 359 ILE CB . 30159 2 882 . 2 2 191 191 ILE N N 15 118.618 0.036 . 1 . . . B 359 ILE N . 30159 2 883 . 2 2 192 192 MET H H 1 7.632 0.005 . 1 . . . B 360 MET H . 30159 2 884 . 2 2 192 192 MET C C 13 178.231 0.033 . 1 . . . B 360 MET C . 30159 2 885 . 2 2 192 192 MET CA C 13 58.582 0.033 . 1 . . . B 360 MET CA . 30159 2 886 . 2 2 192 192 MET N N 15 119.688 0.036 . 1 . . . B 360 MET N . 30159 2 887 . 2 2 193 193 VAL H H 1 8.184 0.005 . 1 . . . B 361 VAL H . 30159 2 888 . 2 2 193 193 VAL C C 13 178.268 0.033 . 1 . . . B 361 VAL C . 30159 2 889 . 2 2 193 193 VAL CA C 13 65.825 0.033 . 1 . . . B 361 VAL CA . 30159 2 890 . 2 2 193 193 VAL CB C 13 29.920 0.033 . 1 . . . B 361 VAL CB . 30159 2 891 . 2 2 193 193 VAL N N 15 114.946 0.036 . 1 . . . B 361 VAL N . 30159 2 892 . 2 2 194 194 ARG H H 1 7.450 0.005 . 1 . . . B 362 ARG H . 30159 2 893 . 2 2 194 194 ARG C C 13 179.165 0.033 . 1 . . . B 362 ARG C . 30159 2 894 . 2 2 194 194 ARG CA C 13 58.946 0.033 . 1 . . . B 362 ARG CA . 30159 2 895 . 2 2 194 194 ARG CB C 13 29.472 0.033 . 1 . . . B 362 ARG CB . 30159 2 896 . 2 2 194 194 ARG N N 15 119.754 0.036 . 1 . . . B 362 ARG N . 30159 2 897 . 2 2 195 195 ALA H H 1 7.905 0.005 . 1 . . . B 363 ALA H . 30159 2 898 . 2 2 195 195 ALA C C 13 179.655 0.033 . 1 . . . B 363 ALA C . 30159 2 899 . 2 2 195 195 ALA CA C 13 54.090 0.033 . 1 . . . B 363 ALA CA . 30159 2 900 . 2 2 195 195 ALA CB C 13 17.500 0.033 . 1 . . . B 363 ALA CB . 30159 2 901 . 2 2 195 195 ALA N N 15 122.619 0.036 . 1 . . . B 363 ALA N . 30159 2 902 . 2 2 196 196 LEU H H 1 7.871 0.005 . 1 . . . B 364 LEU H . 30159 2 903 . 2 2 196 196 LEU C C 13 178.042 0.033 . 1 . . . B 364 LEU C . 30159 2 904 . 2 2 196 196 LEU CA C 13 55.277 0.033 . 1 . . . B 364 LEU CA . 30159 2 905 . 2 2 196 196 LEU CB C 13 41.301 0.033 . 1 . . . B 364 LEU CB . 30159 2 906 . 2 2 196 196 LEU N N 15 115.642 0.036 . 1 . . . B 364 LEU N . 30159 2 907 . 2 2 197 197 GLY H H 1 7.596 0.005 . 1 . . . B 365 GLY H . 30159 2 908 . 2 2 197 197 GLY C C 13 174.475 0.033 . 1 . . . B 365 GLY C . 30159 2 909 . 2 2 197 197 GLY CA C 13 46.415 0.033 . 1 . . . B 365 GLY CA . 30159 2 910 . 2 2 197 197 GLY N N 15 107.564 0.036 . 1 . . . B 365 GLY N . 30159 2 911 . 2 2 198 198 ILE H H 1 7.432 0.005 . 1 . . . B 366 ILE H . 30159 2 912 . 2 2 198 198 ILE C C 13 172.834 0.033 . 1 . . . B 366 ILE C . 30159 2 913 . 2 2 198 198 ILE CA C 13 57.041 0.033 . 1 . . . B 366 ILE CA . 30159 2 914 . 2 2 198 198 ILE CB C 13 37.873 0.033 . 1 . . . B 366 ILE CB . 30159 2 915 . 2 2 198 198 ILE N N 15 117.633 0.036 . 1 . . . B 366 ILE N . 30159 2 916 . 2 2 199 199 PRO C C 13 176.016 0.033 . 1 . . . B 367 PRO C . 30159 2 917 . 2 2 199 199 PRO CA C 13 62.681 0.033 . 1 . . . B 367 PRO CA . 30159 2 918 . 2 2 199 199 PRO CB C 13 30.813 0.033 . 1 . . . B 367 PRO CB . 30159 2 919 . 2 2 200 200 THR H H 1 7.875 0.005 . 1 . . . B 368 THR H . 30159 2 920 . 2 2 200 200 THR C C 13 173.900 0.033 . 1 . . . B 368 THR C . 30159 2 921 . 2 2 200 200 THR CA C 13 61.464 0.033 . 1 . . . B 368 THR CA . 30159 2 922 . 2 2 200 200 THR CB C 13 72.087 0.033 . 1 . . . B 368 THR CB . 30159 2 923 . 2 2 200 200 THR N N 15 118.273 0.036 . 1 . . . B 368 THR N . 30159 2 924 . 2 2 201 201 VAL H H 1 8.411 0.005 . 1 . . . B 369 VAL H . 30159 2 925 . 2 2 201 201 VAL C C 13 173.727 0.033 . 1 . . . B 369 VAL C . 30159 2 926 . 2 2 201 201 VAL CA C 13 58.770 0.033 . 1 . . . B 369 VAL CA . 30159 2 927 . 2 2 201 201 VAL CB C 13 33.685 0.033 . 1 . . . B 369 VAL CB . 30159 2 928 . 2 2 201 201 VAL N N 15 120.987 0.036 . 1 . . . B 369 VAL N . 30159 2 929 . 2 2 202 202 MET H H 1 8.621 0.005 . 1 . . . B 370 MET H . 30159 2 930 . 2 2 202 202 MET C C 13 174.838 0.033 . 1 . . . B 370 MET C . 30159 2 931 . 2 2 202 202 MET CA C 13 53.182 0.033 . 1 . . . B 370 MET CA . 30159 2 932 . 2 2 202 202 MET CB C 13 35.469 0.033 . 1 . . . B 370 MET CB . 30159 2 933 . 2 2 202 202 MET N N 15 120.191 0.036 . 1 . . . B 370 MET N . 30159 2 934 . 2 2 203 203 GLY H H 1 7.516 0.005 . 1 . . . B 371 GLY H . 30159 2 935 . 2 2 203 203 GLY C C 13 174.855 0.033 . 1 . . . B 371 GLY C . 30159 2 936 . 2 2 203 203 GLY CA C 13 46.476 0.033 . 1 . . . B 371 GLY CA . 30159 2 937 . 2 2 203 203 GLY N N 15 108.883 0.036 . 1 . . . B 371 GLY N . 30159 2 938 . 2 2 204 204 ALA H H 1 7.824 0.005 . 1 . . . B 372 ALA H . 30159 2 939 . 2 2 204 204 ALA C C 13 176.223 0.033 . 1 . . . B 372 ALA C . 30159 2 940 . 2 2 204 204 ALA CA C 13 50.606 0.033 . 1 . . . B 372 ALA CA . 30159 2 941 . 2 2 204 204 ALA CB C 13 18.894 0.033 . 1 . . . B 372 ALA CB . 30159 2 942 . 2 2 204 204 ALA N N 15 121.770 0.036 . 1 . . . B 372 ALA N . 30159 2 943 . 2 2 205 205 ASP H H 1 8.473 0.005 . 1 . . . B 373 ASP H . 30159 2 944 . 2 2 205 205 ASP C C 13 174.632 0.033 . 1 . . . B 373 ASP C . 30159 2 945 . 2 2 205 205 ASP CA C 13 52.833 0.033 . 1 . . . B 373 ASP CA . 30159 2 946 . 2 2 205 205 ASP CB C 13 37.933 0.033 . 1 . . . B 373 ASP CB . 30159 2 947 . 2 2 205 205 ASP N N 15 122.813 0.036 . 1 . . . B 373 ASP N . 30159 2 948 . 2 2 206 206 ILE H H 1 7.673 0.005 . 1 . . . B 374 ILE H . 30159 2 949 . 2 2 206 206 ILE C C 13 175.006 0.033 . 1 . . . B 374 ILE C . 30159 2 950 . 2 2 206 206 ILE CA C 13 57.669 0.033 . 1 . . . B 374 ILE CA . 30159 2 951 . 2 2 206 206 ILE CB C 13 41.350 0.033 . 1 . . . B 374 ILE CB . 30159 2 952 . 2 2 206 206 ILE N N 15 116.750 0.036 . 1 . . . B 374 ILE N . 30159 2 953 . 2 2 207 207 GLN H H 1 8.158 0.005 . 1 . . . B 375 GLN H . 30159 2 954 . 2 2 207 207 GLN C C 13 175.044 0.033 . 1 . . . B 375 GLN C . 30159 2 955 . 2 2 207 207 GLN CA C 13 52.012 0.033 . 1 . . . B 375 GLN CA . 30159 2 956 . 2 2 207 207 GLN CB C 13 28.703 0.033 . 1 . . . B 375 GLN CB . 30159 2 957 . 2 2 207 207 GLN N N 15 121.613 0.036 . 1 . . . B 375 GLN N . 30159 2 958 . 2 2 208 208 PRO C C 13 176.882 0.033 . 1 . . . B 376 PRO C . 30159 2 959 . 2 2 208 208 PRO CA C 13 65.886 0.033 . 1 . . . B 376 PRO CA . 30159 2 960 . 2 2 208 208 PRO CB C 13 31.334 0.033 . 1 . . . B 376 PRO CB . 30159 2 961 . 2 2 209 209 SER H H 1 8.345 0.005 . 1 . . . B 377 SER H . 30159 2 962 . 2 2 209 209 SER C C 13 176.771 0.033 . 1 . . . B 377 SER C . 30159 2 963 . 2 2 209 209 SER CA C 13 60.560 0.033 . 1 . . . B 377 SER CA . 30159 2 964 . 2 2 209 209 SER CB C 13 61.912 0.033 . 1 . . . B 377 SER CB . 30159 2 965 . 2 2 209 209 SER N N 15 108.698 0.036 . 1 . . . B 377 SER N . 30159 2 966 . 2 2 210 210 VAL H H 1 7.413 0.005 . 1 . . . B 378 VAL H . 30159 2 967 . 2 2 210 210 VAL C C 13 176.354 0.033 . 1 . . . B 378 VAL C . 30159 2 968 . 2 2 210 210 VAL CA C 13 63.053 0.033 . 1 . . . B 378 VAL CA . 30159 2 969 . 2 2 210 210 VAL CB C 13 30.803 0.033 . 1 . . . B 378 VAL CB . 30159 2 970 . 2 2 210 210 VAL N N 15 120.083 0.036 . 1 . . . B 378 VAL N . 30159 2 971 . 2 2 211 211 LEU H H 1 7.161 0.005 . 1 . . . B 379 LEU H . 30159 2 972 . 2 2 211 211 LEU C C 13 176.292 0.033 . 1 . . . B 379 LEU C . 30159 2 973 . 2 2 211 211 LEU CA C 13 54.902 0.033 . 1 . . . B 379 LEU CA . 30159 2 974 . 2 2 211 211 LEU CB C 13 41.375 0.033 . 1 . . . B 379 LEU CB . 30159 2 975 . 2 2 211 211 LEU N N 15 117.491 0.036 . 1 . . . B 379 LEU N . 30159 2 976 . 2 2 212 212 HIS H H 1 6.962 0.005 . 1 . . . B 380 HIS H . 30159 2 977 . 2 2 212 212 HIS C C 13 175.710 0.033 . 1 . . . B 380 HIS C . 30159 2 978 . 2 2 212 212 HIS CA C 13 58.125 0.033 . 1 . . . B 380 HIS CA . 30159 2 979 . 2 2 212 212 HIS CB C 13 31.334 0.033 . 1 . . . B 380 HIS CB . 30159 2 980 . 2 2 212 212 HIS N N 15 119.352 0.036 . 1 . . . B 380 HIS N . 30159 2 981 . 2 2 213 213 ARG H H 1 8.711 0.005 . 1 . . . B 381 ARG H . 30159 2 982 . 2 2 213 213 ARG C C 13 175.727 0.033 . 1 . . . B 381 ARG C . 30159 2 983 . 2 2 213 213 ARG CA C 13 58.440 0.033 . 1 . . . B 381 ARG CA . 30159 2 984 . 2 2 213 213 ARG CB C 13 26.551 0.033 . 1 . . . B 381 ARG CB . 30159 2 985 . 2 2 213 213 ARG N N 15 119.532 0.036 . 1 . . . B 381 ARG N . 30159 2 986 . 2 2 214 214 ARG H H 1 7.864 0.005 . 1 . . . B 382 ARG H . 30159 2 987 . 2 2 214 214 ARG C C 13 176.291 0.033 . 1 . . . B 382 ARG C . 30159 2 988 . 2 2 214 214 ARG CA C 13 54.406 0.033 . 1 . . . B 382 ARG CA . 30159 2 989 . 2 2 214 214 ARG CB C 13 29.499 0.033 . 1 . . . B 382 ARG CB . 30159 2 990 . 2 2 214 214 ARG N N 15 118.977 0.036 . 1 . . . B 382 ARG N . 30159 2 991 . 2 2 215 215 THR H H 1 8.826 0.005 . 1 . . . B 383 THR H . 30159 2 992 . 2 2 215 215 THR C C 13 172.233 0.033 . 1 . . . B 383 THR C . 30159 2 993 . 2 2 215 215 THR CA C 13 64.950 0.033 . 1 . . . B 383 THR CA . 30159 2 994 . 2 2 215 215 THR CB C 13 68.112 0.033 . 1 . . . B 383 THR CB . 30159 2 995 . 2 2 215 215 THR N N 15 119.329 0.036 . 1 . . . B 383 THR N . 30159 2 996 . 2 2 216 216 LEU H H 1 8.537 0.005 . 1 . . . B 384 LEU H . 30159 2 997 . 2 2 216 216 LEU C C 13 175.147 0.033 . 1 . . . B 384 LEU C . 30159 2 998 . 2 2 216 216 LEU CA C 13 52.196 0.033 . 1 . . . B 384 LEU CA . 30159 2 999 . 2 2 216 216 LEU CB C 13 43.634 0.033 . 1 . . . B 384 LEU CB . 30159 2 1000 . 2 2 216 216 LEU N N 15 127.144 0.036 . 1 . . . B 384 LEU N . 30159 2 1001 . 2 2 217 217 ILE H H 1 8.386 0.005 . 1 . . . B 385 ILE H . 30159 2 1002 . 2 2 217 217 ILE C C 13 175.943 0.033 . 1 . . . B 385 ILE C . 30159 2 1003 . 2 2 217 217 ILE CA C 13 59.727 0.033 . 1 . . . B 385 ILE CA . 30159 2 1004 . 2 2 217 217 ILE CB C 13 38.576 0.033 . 1 . . . B 385 ILE CB . 30159 2 1005 . 2 2 217 217 ILE N N 15 115.984 0.036 . 1 . . . B 385 ILE N . 30159 2 1006 . 2 2 218 218 VAL H H 1 8.913 0.005 . 1 . . . B 386 VAL H . 30159 2 1007 . 2 2 218 218 VAL C C 13 173.127 0.033 . 1 . . . B 386 VAL C . 30159 2 1008 . 2 2 218 218 VAL CA C 13 60.489 0.033 . 1 . . . B 386 VAL CA . 30159 2 1009 . 2 2 218 218 VAL CB C 13 33.308 0.033 . 1 . . . B 386 VAL CB . 30159 2 1010 . 2 2 218 218 VAL N N 15 124.819 0.036 . 1 . . . B 386 VAL N . 30159 2 1011 . 2 2 219 219 ASP H H 1 8.687 0.005 . 1 . . . B 387 ASP H . 30159 2 1012 . 2 2 219 219 ASP C C 13 177.520 0.033 . 1 . . . B 387 ASP C . 30159 2 1013 . 2 2 219 219 ASP CA C 13 51.595 0.033 . 1 . . . B 387 ASP CA . 30159 2 1014 . 2 2 219 219 ASP CB C 13 40.422 0.033 . 1 . . . B 387 ASP CB . 30159 2 1015 . 2 2 219 219 ASP N N 15 124.744 0.036 . 1 . . . B 387 ASP N . 30159 2 1016 . 2 2 220 220 GLY H H 1 9.416 0.005 . 1 . . . B 388 GLY H . 30159 2 1017 . 2 2 220 220 GLY C C 13 175.060 0.033 . 1 . . . B 388 GLY C . 30159 2 1018 . 2 2 220 220 GLY CA C 13 45.102 0.033 . 1 . . . B 388 GLY CA . 30159 2 1019 . 2 2 220 220 GLY N N 15 112.247 0.036 . 1 . . . B 388 GLY N . 30159 2 1020 . 2 2 221 221 TYR H H 1 8.446 0.005 . 1 . . . B 389 TYR H . 30159 2 1021 . 2 2 221 221 TYR C C 13 178.296 0.033 . 1 . . . B 389 TYR C . 30159 2 1022 . 2 2 221 221 TYR CA C 13 60.153 0.033 . 1 . . . B 389 TYR CA . 30159 2 1023 . 2 2 221 221 TYR CB C 13 36.972 0.033 . 1 . . . B 389 TYR CB . 30159 2 1024 . 2 2 221 221 TYR N N 15 117.789 0.036 . 1 . . . B 389 TYR N . 30159 2 1025 . 2 2 222 222 ARG H H 1 8.161 0.005 . 1 . . . B 390 ARG H . 30159 2 1026 . 2 2 222 222 ARG C C 13 177.653 0.033 . 1 . . . B 390 ARG C . 30159 2 1027 . 2 2 222 222 ARG CA C 13 55.799 0.033 . 1 . . . B 390 ARG CA . 30159 2 1028 . 2 2 222 222 ARG CB C 13 30.852 0.033 . 1 . . . B 390 ARG CB . 30159 2 1029 . 2 2 222 222 ARG N N 15 115.589 0.036 . 1 . . . B 390 ARG N . 30159 2 1030 . 2 2 223 223 GLY H H 1 8.093 0.005 . 1 . . . B 391 GLY H . 30159 2 1031 . 2 2 223 223 GLY C C 13 172.034 0.033 . 1 . . . B 391 GLY C . 30159 2 1032 . 2 2 223 223 GLY CA C 13 46.037 0.033 . 1 . . . B 391 GLY CA . 30159 2 1033 . 2 2 223 223 GLY N N 15 108.732 0.036 . 1 . . . B 391 GLY N . 30159 2 1034 . 2 2 224 224 GLU H H 1 8.106 0.005 . 1 . . . B 392 GLU H . 30159 2 1035 . 2 2 224 224 GLU C C 13 172.777 0.033 . 1 . . . B 392 GLU C . 30159 2 1036 . 2 2 224 224 GLU CA C 13 54.262 0.033 . 1 . . . B 392 GLU CA . 30159 2 1037 . 2 2 224 224 GLU CB C 13 33.896 0.033 . 1 . . . B 392 GLU CB . 30159 2 1038 . 2 2 224 224 GLU N N 15 117.921 0.036 . 1 . . . B 392 GLU N . 30159 2 1039 . 2 2 225 225 LEU H H 1 8.705 0.005 . 1 . . . B 393 LEU H . 30159 2 1040 . 2 2 225 225 LEU C C 13 174.277 0.033 . 1 . . . B 393 LEU C . 30159 2 1041 . 2 2 225 225 LEU CA C 13 52.316 0.033 . 1 . . . B 393 LEU CA . 30159 2 1042 . 2 2 225 225 LEU CB C 13 44.897 0.033 . 1 . . . B 393 LEU CB . 30159 2 1043 . 2 2 225 225 LEU N N 15 122.342 0.036 . 1 . . . B 393 LEU N . 30159 2 1044 . 2 2 226 226 LEU H H 1 9.231 0.005 . 1 . . . B 394 LEU H . 30159 2 1045 . 2 2 226 226 LEU C C 13 174.862 0.033 . 1 . . . B 394 LEU C . 30159 2 1046 . 2 2 226 226 LEU CA C 13 54.093 0.033 . 1 . . . B 394 LEU CA . 30159 2 1047 . 2 2 226 226 LEU CB C 13 41.087 0.033 . 1 . . . B 394 LEU CB . 30159 2 1048 . 2 2 226 226 LEU N N 15 126.278 0.036 . 1 . . . B 394 LEU N . 30159 2 1049 . 2 2 227 227 VAL H H 1 8.314 0.005 . 1 . . . B 395 VAL H . 30159 2 1050 . 2 2 227 227 VAL C C 13 175.456 0.033 . 1 . . . B 395 VAL C . 30159 2 1051 . 2 2 227 227 VAL CA C 13 60.288 0.033 . 1 . . . B 395 VAL CA . 30159 2 1052 . 2 2 227 227 VAL CB C 13 32.744 0.033 . 1 . . . B 395 VAL CB . 30159 2 1053 . 2 2 227 227 VAL N N 15 121.251 0.036 . 1 . . . B 395 VAL N . 30159 2 1054 . 2 2 228 228 ASP H H 1 9.220 0.005 . 1 . . . B 396 ASP H . 30159 2 1055 . 2 2 228 228 ASP C C 13 172.968 0.033 . 1 . . . B 396 ASP C . 30159 2 1056 . 2 2 228 228 ASP CA C 13 54.818 0.033 . 1 . . . B 396 ASP CA . 30159 2 1057 . 2 2 228 228 ASP CB C 13 39.234 0.033 . 1 . . . B 396 ASP CB . 30159 2 1058 . 2 2 228 228 ASP N N 15 124.236 0.036 . 1 . . . B 396 ASP N . 30159 2 1059 . 2 2 229 229 PRO C C 13 176.496 0.033 . 1 . . . B 397 PRO C . 30159 2 1060 . 2 2 229 229 PRO CA C 13 61.788 0.033 . 1 . . . B 397 PRO CA . 30159 2 1061 . 2 2 229 229 PRO CB C 13 31.383 0.033 . 1 . . . B 397 PRO CB . 30159 2 1062 . 2 2 230 230 GLU H H 1 8.679 0.005 . 1 . . . B 398 GLU H . 30159 2 1063 . 2 2 230 230 GLU C C 13 175.218 0.033 . 1 . . . B 398 GLU C . 30159 2 1064 . 2 2 230 230 GLU CA C 13 54.967 0.033 . 1 . . . B 398 GLU CA . 30159 2 1065 . 2 2 230 230 GLU CB C 13 27.311 0.033 . 1 . . . B 398 GLU CB . 30159 2 1066 . 2 2 230 230 GLU N N 15 121.366 0.036 . 1 . . . B 398 GLU N . 30159 2 1067 . 2 2 231 231 PRO C C 13 178.912 0.033 . 1 . . . B 399 PRO C . 30159 2 1068 . 2 2 231 231 PRO CA C 13 66.336 0.033 . 1 . . . B 399 PRO CA . 30159 2 1069 . 2 2 231 231 PRO CB C 13 31.222 0.033 . 1 . . . B 399 PRO CB . 30159 2 1070 . 2 2 232 232 VAL H H 1 8.423 0.005 . 1 . . . B 400 VAL H . 30159 2 1071 . 2 2 232 232 VAL C C 13 177.723 0.033 . 1 . . . B 400 VAL C . 30159 2 1072 . 2 2 232 232 VAL CA C 13 65.125 0.033 . 1 . . . B 400 VAL CA . 30159 2 1073 . 2 2 232 232 VAL CB C 13 30.292 0.033 . 1 . . . B 400 VAL CB . 30159 2 1074 . 2 2 232 232 VAL N N 15 115.063 0.036 . 1 . . . B 400 VAL N . 30159 2 1075 . 2 2 233 233 LEU H H 1 7.172 0.005 . 1 . . . B 401 LEU H . 30159 2 1076 . 2 2 233 233 LEU C C 13 179.027 0.033 . 1 . . . B 401 LEU C . 30159 2 1077 . 2 2 233 233 LEU CA C 13 56.533 0.033 . 1 . . . B 401 LEU CA . 30159 2 1078 . 2 2 233 233 LEU CB C 13 41.525 0.033 . 1 . . . B 401 LEU CB . 30159 2 1079 . 2 2 233 233 LEU N N 15 122.688 0.036 . 1 . . . B 401 LEU N . 30159 2 1080 . 2 2 234 234 LEU H H 1 8.018 0.005 . 1 . . . B 402 LEU H . 30159 2 1081 . 2 2 234 234 LEU C C 13 178.922 0.033 . 1 . . . B 402 LEU C . 30159 2 1082 . 2 2 234 234 LEU CA C 13 58.579 0.033 . 1 . . . B 402 LEU CA . 30159 2 1083 . 2 2 234 234 LEU CB C 13 40.857 0.033 . 1 . . . B 402 LEU CB . 30159 2 1084 . 2 2 234 234 LEU N N 15 119.909 0.036 . 1 . . . B 402 LEU N . 30159 2 1085 . 2 2 235 235 GLN H H 1 8.199 0.005 . 1 . . . B 403 GLN H . 30159 2 1086 . 2 2 235 235 GLN C C 13 178.734 0.033 . 1 . . . B 403 GLN C . 30159 2 1087 . 2 2 235 235 GLN CA C 13 58.388 0.033 . 1 . . . B 403 GLN CA . 30159 2 1088 . 2 2 235 235 GLN CB C 13 27.511 0.033 . 1 . . . B 403 GLN CB . 30159 2 1089 . 2 2 235 235 GLN N N 15 116.043 0.036 . 1 . . . B 403 GLN N . 30159 2 1090 . 2 2 236 236 GLU H H 1 7.741 0.005 . 1 . . . B 404 GLU H . 30159 2 1091 . 2 2 236 236 GLU C C 13 179.245 0.033 . 1 . . . B 404 GLU C . 30159 2 1092 . 2 2 236 236 GLU CA C 13 58.793 0.033 . 1 . . . B 404 GLU CA . 30159 2 1093 . 2 2 236 236 GLU CB C 13 28.473 0.033 . 1 . . . B 404 GLU CB . 30159 2 1094 . 2 2 236 236 GLU N N 15 120.623 0.036 . 1 . . . B 404 GLU N . 30159 2 1095 . 2 2 237 237 TYR H H 1 8.187 0.005 . 1 . . . B 405 TYR H . 30159 2 1096 . 2 2 237 237 TYR C C 13 178.259 0.033 . 1 . . . B 405 TYR C . 30159 2 1097 . 2 2 237 237 TYR CA C 13 62.771 0.033 . 1 . . . B 405 TYR CA . 30159 2 1098 . 2 2 237 237 TYR CB C 13 37.719 0.033 . 1 . . . B 405 TYR CB . 30159 2 1099 . 2 2 237 237 TYR N N 15 117.841 0.036 . 1 . . . B 405 TYR N . 30159 2 1100 . 2 2 238 238 GLN H H 1 8.579 0.005 . 1 . . . B 406 GLN H . 30159 2 1101 . 2 2 238 238 GLN C C 13 179.034 0.033 . 1 . . . B 406 GLN C . 30159 2 1102 . 2 2 238 238 GLN CA C 13 58.486 0.033 . 1 . . . B 406 GLN CA . 30159 2 1103 . 2 2 238 238 GLN CB C 13 27.233 0.033 . 1 . . . B 406 GLN CB . 30159 2 1104 . 2 2 238 238 GLN N N 15 119.160 0.036 . 1 . . . B 406 GLN N . 30159 2 1105 . 2 2 239 239 ARG H H 1 7.825 0.005 . 1 . . . B 407 ARG H . 30159 2 1106 . 2 2 239 239 ARG C C 13 178.227 0.033 . 1 . . . B 407 ARG C . 30159 2 1107 . 2 2 239 239 ARG CA C 13 58.636 0.033 . 1 . . . B 407 ARG CA . 30159 2 1108 . 2 2 239 239 ARG CB C 13 28.667 0.033 . 1 . . . B 407 ARG CB . 30159 2 1109 . 2 2 239 239 ARG N N 15 119.826 0.036 . 1 . . . B 407 ARG N . 30159 2 1110 . 2 2 240 240 LEU H H 1 7.620 0.005 . 1 . . . B 408 LEU H . 30159 2 1111 . 2 2 240 240 LEU C C 13 179.652 0.033 . 1 . . . B 408 LEU C . 30159 2 1112 . 2 2 240 240 LEU CA C 13 57.330 0.033 . 1 . . . B 408 LEU CA . 30159 2 1113 . 2 2 240 240 LEU CB C 13 40.836 0.033 . 1 . . . B 408 LEU CB . 30159 2 1114 . 2 2 240 240 LEU N N 15 119.740 0.036 . 1 . . . B 408 LEU N . 30159 2 1115 . 2 2 241 241 ILE H H 1 7.862 0.005 . 1 . . . B 409 ILE H . 30159 2 1116 . 2 2 241 241 ILE C C 13 178.112 0.033 . 1 . . . B 409 ILE C . 30159 2 1117 . 2 2 241 241 ILE CA C 13 64.021 0.033 . 1 . . . B 409 ILE CA . 30159 2 1118 . 2 2 241 241 ILE CB C 13 37.623 0.033 . 1 . . . B 409 ILE CB . 30159 2 1119 . 2 2 241 241 ILE N N 15 118.507 0.036 . 1 . . . B 409 ILE N . 30159 2 1120 . 2 2 242 242 SER H H 1 8.123 0.005 . 1 . . . B 410 SER H . 30159 2 1121 . 2 2 242 242 SER C C 13 175.900 0.033 . 1 . . . B 410 SER C . 30159 2 1122 . 2 2 242 242 SER CA C 13 60.516 0.033 . 1 . . . B 410 SER CA . 30159 2 1123 . 2 2 242 242 SER CB C 13 63.117 0.033 . 1 . . . B 410 SER CB . 30159 2 1124 . 2 2 242 242 SER N N 15 115.830 0.036 . 1 . . . B 410 SER N . 30159 2 1125 . 2 2 243 243 GLU H H 1 8.299 0.005 . 1 . . . B 411 GLU H . 30159 2 1126 . 2 2 243 243 GLU C C 13 177.470 0.033 . 1 . . . B 411 GLU C . 30159 2 1127 . 2 2 243 243 GLU CA C 13 57.478 0.033 . 1 . . . B 411 GLU CA . 30159 2 1128 . 2 2 243 243 GLU CB C 13 29.093 0.033 . 1 . . . B 411 GLU CB . 30159 2 1129 . 2 2 243 243 GLU N N 15 121.444 0.036 . 1 . . . B 411 GLU N . 30159 2 1130 . 2 2 244 244 GLU H H 1 8.006 0.005 . 1 . . . B 412 GLU H . 30159 2 1131 . 2 2 244 244 GLU C C 13 178.018 0.033 . 1 . . . B 412 GLU C . 30159 2 1132 . 2 2 244 244 GLU CA C 13 57.768 0.033 . 1 . . . B 412 GLU CA . 30159 2 1133 . 2 2 244 244 GLU CB C 13 28.796 0.033 . 1 . . . B 412 GLU CB . 30159 2 1134 . 2 2 244 244 GLU N N 15 119.776 0.036 . 1 . . . B 412 GLU N . 30159 2 1135 . 2 2 245 245 ILE H H 1 7.971 0.005 . 1 . . . B 413 ILE H . 30159 2 1136 . 2 2 245 245 ILE C C 13 177.515 0.033 . 1 . . . B 413 ILE C . 30159 2 1137 . 2 2 245 245 ILE CA C 13 62.334 0.033 . 1 . . . B 413 ILE CA . 30159 2 1138 . 2 2 245 245 ILE CB C 13 37.578 0.033 . 1 . . . B 413 ILE CB . 30159 2 1139 . 2 2 245 245 ILE N N 15 120.579 0.036 . 1 . . . B 413 ILE N . 30159 2 1140 . 2 2 246 246 GLU H H 1 8.183 0.005 . 1 . . . B 414 GLU H . 30159 2 1141 . 2 2 246 246 GLU C C 13 177.651 0.033 . 1 . . . B 414 GLU C . 30159 2 1142 . 2 2 246 246 GLU CA C 13 57.091 0.033 . 1 . . . B 414 GLU CA . 30159 2 1143 . 2 2 246 246 GLU CB C 13 28.876 0.033 . 1 . . . B 414 GLU CB . 30159 2 1144 . 2 2 246 246 GLU N N 15 122.586 0.036 . 1 . . . B 414 GLU N . 30159 2 1145 . 2 2 247 247 LEU H H 1 8.053 0.005 . 1 . . . B 415 LEU H . 30159 2 1146 . 2 2 247 247 LEU C C 13 178.492 0.033 . 1 . . . B 415 LEU C . 30159 2 1147 . 2 2 247 247 LEU CA C 13 55.880 0.033 . 1 . . . B 415 LEU CA . 30159 2 1148 . 2 2 247 247 LEU CB C 13 41.019 0.033 . 1 . . . B 415 LEU CB . 30159 2 1149 . 2 2 247 247 LEU N N 15 121.438 0.036 . 1 . . . B 415 LEU N . 30159 2 1150 . 2 2 248 248 SER H H 1 8.101 0.005 . 1 . . . B 416 SER H . 30159 2 1151 . 2 2 248 248 SER C C 13 175.043 0.033 . 1 . . . B 416 SER C . 30159 2 1152 . 2 2 248 248 SER CA C 13 59.007 0.033 . 1 . . . B 416 SER CA . 30159 2 1153 . 2 2 248 248 SER CB C 13 62.832 0.033 . 1 . . . B 416 SER CB . 30159 2 1154 . 2 2 248 248 SER N N 15 115.253 0.036 . 1 . . . B 416 SER N . 30159 2 1155 . 2 2 249 249 ARG H H 1 7.974 0.005 . 1 . . . B 417 ARG H . 30159 2 1156 . 2 2 249 249 ARG C C 13 176.761 0.033 . 1 . . . B 417 ARG C . 30159 2 1157 . 2 2 249 249 ARG CA C 13 56.277 0.033 . 1 . . . B 417 ARG CA . 30159 2 1158 . 2 2 249 249 ARG CB C 13 29.619 0.033 . 1 . . . B 417 ARG CB . 30159 2 1159 . 2 2 249 249 ARG N N 15 122.280 0.036 . 1 . . . B 417 ARG N . 30159 2 1160 . 2 2 250 250 LEU H H 1 8.042 0.005 . 1 . . . B 418 LEU H . 30159 2 1161 . 2 2 250 250 LEU C C 13 177.399 0.033 . 1 . . . B 418 LEU C . 30159 2 1162 . 2 2 250 250 LEU CA C 13 55.027 0.033 . 1 . . . B 418 LEU CA . 30159 2 1163 . 2 2 250 250 LEU CB C 13 41.172 0.033 . 1 . . . B 418 LEU CB . 30159 2 1164 . 2 2 250 250 LEU N N 15 122.204 0.036 . 1 . . . B 418 LEU N . 30159 2 1165 . 2 2 251 251 ALA H H 1 8.105 0.005 . 1 . . . B 419 ALA H . 30159 2 1166 . 2 2 251 251 ALA C C 13 177.932 0.033 . 1 . . . B 419 ALA C . 30159 2 1167 . 2 2 251 251 ALA CA C 13 52.180 0.033 . 1 . . . B 419 ALA CA . 30159 2 1168 . 2 2 251 251 ALA CB C 13 18.399 0.033 . 1 . . . B 419 ALA CB . 30159 2 1169 . 2 2 251 251 ALA N N 15 123.838 0.036 . 1 . . . B 419 ALA N . 30159 2 1170 . 2 2 252 252 GLU H H 1 8.219 0.005 . 1 . . . B 420 GLU H . 30159 2 1171 . 2 2 252 252 GLU C C 13 176.399 0.033 . 1 . . . B 420 GLU C . 30159 2 1172 . 2 2 252 252 GLU CA C 13 56.292 0.033 . 1 . . . B 420 GLU CA . 30159 2 1173 . 2 2 252 252 GLU CB C 13 29.482 0.033 . 1 . . . B 420 GLU CB . 30159 2 1174 . 2 2 252 252 GLU N N 15 119.546 0.036 . 1 . . . B 420 GLU N . 30159 2 1175 . 2 2 253 253 ASP H H 1 8.204 0.005 . 1 . . . B 421 ASP H . 30159 2 1176 . 2 2 253 253 ASP C C 13 175.974 0.033 . 1 . . . B 421 ASP C . 30159 2 1177 . 2 2 253 253 ASP CA C 13 54.107 0.033 . 1 . . . B 421 ASP CA . 30159 2 1178 . 2 2 253 253 ASP CB C 13 40.686 0.033 . 1 . . . B 421 ASP CB . 30159 2 1179 . 2 2 253 253 ASP N N 15 120.306 0.036 . 1 . . . B 421 ASP N . 30159 2 1180 . 2 2 254 254 ASP H H 1 8.221 0.005 . 1 . . . B 422 ASP H . 30159 2 1181 . 2 2 254 254 ASP C C 13 176.054 0.033 . 1 . . . B 422 ASP C . 30159 2 1182 . 2 2 254 254 ASP CA C 13 53.975 0.033 . 1 . . . B 422 ASP CA . 30159 2 1183 . 2 2 254 254 ASP CB C 13 40.553 0.033 . 1 . . . B 422 ASP CB . 30159 2 1184 . 2 2 254 254 ASP N N 15 120.614 0.036 . 1 . . . B 422 ASP N . 30159 2 1185 . 2 2 255 255 VAL H H 1 7.968 0.005 . 1 . . . B 423 VAL H . 30159 2 1186 . 2 2 255 255 VAL C C 13 175.349 0.033 . 1 . . . B 423 VAL C . 30159 2 1187 . 2 2 255 255 VAL CA C 13 61.780 0.033 . 1 . . . B 423 VAL CA . 30159 2 1188 . 2 2 255 255 VAL CB C 13 31.838 0.033 . 1 . . . B 423 VAL CB . 30159 2 1189 . 2 2 255 255 VAL N N 15 119.406 0.036 . 1 . . . B 423 VAL N . 30159 2 1190 . 2 2 256 256 ASN H H 1 8.016 0.005 . 1 . . . B 424 ASN H . 30159 2 1191 . 2 2 256 256 ASN C C 13 179.502 0.033 . 1 . . . B 424 ASN C . 30159 2 1192 . 2 2 256 256 ASN CA C 13 54.590 0.033 . 1 . . . B 424 ASN CA . 30159 2 1193 . 2 2 256 256 ASN CB C 13 40.018 0.033 . 1 . . . B 424 ASN CB . 30159 2 1194 . 2 2 256 256 ASN N N 15 127.178 0.036 . 1 . . . B 424 ASN N . 30159 2 stop_ save_