data_27147 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27147 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for the repetitive domain of E. australis major ampullate spidroin 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-19 _Entry.Accession_date 2017-06-19 _Entry.Last_release_date 2017-06-19 _Entry.Original_release_date 2017-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 Martins Otikovs . . . . 27147 2 Marlene Andersson . . . . 27147 3 Quipin Jia . . . . 27147 4 Kerstin Nordling . . . . 27147 5 Qing Meng . . . . 27147 6 Loren Andreas . B. . . 27147 7 Guido Pintacuda . . . . 27147 8 Jan Johansson . . . . 27147 9 Anna Rising . . . . 27147 10 Kristaps Jaudzems . . . . 27147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 27147 '15N chemical shifts' 92 27147 '1H chemical shifts' 92 27147 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-11-16 . original BMRB . 27147 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27147 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28791761 _Citation.Full_citation . _Citation.Title ; Degree of Biomimicry of Artificial Spider Silk Spinning Assessed by NMR Spectroscopy. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 56 _Citation.Journal_issue 41 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3773 _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 12571 _Citation.Page_last 12575 _Citation.Year 2017 _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 Martins Otikovs M. . . . 27147 1 2 Marlene Andersson M. . . . 27147 1 3 Qiupin Jia Q. . . . 27147 1 4 Kerstin Nordling K. . . . 27147 1 5 Qing Meng Q. . . . 27147 1 6 Loren Andreas L. B. . . 27147 1 7 Guido Pintacuda G. . . . 27147 1 8 Jan Johansson J. . . . 27147 1 9 Anna Rising A. . . . 27147 1 10 Kristaps Jaudzems K. . . . 27147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27147 _Assembly.ID 1 _Assembly.Name NT-2Rep-CT _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 66557 _Assembly.Enzyme_commission_number . _Assembly.Details ; NT and two repeat regions (2Rep) from E. australis major ampullate spidroin 1, and a CT from A. ventricosus minor ampullate spidroin ; _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 'Dimer of NT-2Rep-CT' 1 $NT-2Rep-CT A . yes native no no . . . 27147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NT-2Rep-CT _Entity.Sf_category entity _Entity.Sf_framecode NT-2Rep-CT _Entity.Entry_ID 27147 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NT-2Rep-CT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHMSHTTPWTNPGL AENFMNSFMQGLSSMPGFTA SQLDDMSTIAQSMVQSIQSL AAQGRTSPNKLQALNMAFAS SMAEIAASEEGGGSLSTKTS SIASAMSNAFLQTTGVVNQP FINEITQLVSMFAQAGMNDV SAGNSGRGQGGYGQGSGGNA AAAAAAAAAAAAAAGQGGQG GYGRQSQGAGSAAAAAAAAA AAAAAGSGQGGYGGQGQGGY GQSGNSVTSGGYGYGTSAAA GAGVAAGSYAGAVNRLSSAE AASRVSSNIAAIASGGASAL PSVISNIYSGVVASGVSSNE ALIQALLELLSALVHVLSSA SIGNVSSVGVDSTLNVVQDS VGQYVG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 145-223 represent the Rep domain.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 346 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27147 1 2 2 GLY . 27147 1 3 3 HIS . 27147 1 4 4 HIS . 27147 1 5 5 HIS . 27147 1 6 6 HIS . 27147 1 7 7 HIS . 27147 1 8 8 HIS . 27147 1 9 9 MET . 27147 1 10 10 SER . 27147 1 11 11 HIS . 27147 1 12 12 THR . 27147 1 13 13 THR . 27147 1 14 14 PRO . 27147 1 15 15 TRP . 27147 1 16 16 THR . 27147 1 17 17 ASN . 27147 1 18 18 PRO . 27147 1 19 19 GLY . 27147 1 20 20 LEU . 27147 1 21 21 ALA . 27147 1 22 22 GLU . 27147 1 23 23 ASN . 27147 1 24 24 PHE . 27147 1 25 25 MET . 27147 1 26 26 ASN . 27147 1 27 27 SER . 27147 1 28 28 PHE . 27147 1 29 29 MET . 27147 1 30 30 GLN . 27147 1 31 31 GLY . 27147 1 32 32 LEU . 27147 1 33 33 SER . 27147 1 34 34 SER . 27147 1 35 35 MET . 27147 1 36 36 PRO . 27147 1 37 37 GLY . 27147 1 38 38 PHE . 27147 1 39 39 THR . 27147 1 40 40 ALA . 27147 1 41 41 SER . 27147 1 42 42 GLN . 27147 1 43 43 LEU . 27147 1 44 44 ASP . 27147 1 45 45 ASP . 27147 1 46 46 MET . 27147 1 47 47 SER . 27147 1 48 48 THR . 27147 1 49 49 ILE . 27147 1 50 50 ALA . 27147 1 51 51 GLN . 27147 1 52 52 SER . 27147 1 53 53 MET . 27147 1 54 54 VAL . 27147 1 55 55 GLN . 27147 1 56 56 SER . 27147 1 57 57 ILE . 27147 1 58 58 GLN . 27147 1 59 59 SER . 27147 1 60 60 LEU . 27147 1 61 61 ALA . 27147 1 62 62 ALA . 27147 1 63 63 GLN . 27147 1 64 64 GLY . 27147 1 65 65 ARG . 27147 1 66 66 THR . 27147 1 67 67 SER . 27147 1 68 68 PRO . 27147 1 69 69 ASN . 27147 1 70 70 LYS . 27147 1 71 71 LEU . 27147 1 72 72 GLN . 27147 1 73 73 ALA . 27147 1 74 74 LEU . 27147 1 75 75 ASN . 27147 1 76 76 MET . 27147 1 77 77 ALA . 27147 1 78 78 PHE . 27147 1 79 79 ALA . 27147 1 80 80 SER . 27147 1 81 81 SER . 27147 1 82 82 MET . 27147 1 83 83 ALA . 27147 1 84 84 GLU . 27147 1 85 85 ILE . 27147 1 86 86 ALA . 27147 1 87 87 ALA . 27147 1 88 88 SER . 27147 1 89 89 GLU . 27147 1 90 90 GLU . 27147 1 91 91 GLY . 27147 1 92 92 GLY . 27147 1 93 93 GLY . 27147 1 94 94 SER . 27147 1 95 95 LEU . 27147 1 96 96 SER . 27147 1 97 97 THR . 27147 1 98 98 LYS . 27147 1 99 99 THR . 27147 1 100 100 SER . 27147 1 101 101 SER . 27147 1 102 102 ILE . 27147 1 103 103 ALA . 27147 1 104 104 SER . 27147 1 105 105 ALA . 27147 1 106 106 MET . 27147 1 107 107 SER . 27147 1 108 108 ASN . 27147 1 109 109 ALA . 27147 1 110 110 PHE . 27147 1 111 111 LEU . 27147 1 112 112 GLN . 27147 1 113 113 THR . 27147 1 114 114 THR . 27147 1 115 115 GLY . 27147 1 116 116 VAL . 27147 1 117 117 VAL . 27147 1 118 118 ASN . 27147 1 119 119 GLN . 27147 1 120 120 PRO . 27147 1 121 121 PHE . 27147 1 122 122 ILE . 27147 1 123 123 ASN . 27147 1 124 124 GLU . 27147 1 125 125 ILE . 27147 1 126 126 THR . 27147 1 127 127 GLN . 27147 1 128 128 LEU . 27147 1 129 129 VAL . 27147 1 130 130 SER . 27147 1 131 131 MET . 27147 1 132 132 PHE . 27147 1 133 133 ALA . 27147 1 134 134 GLN . 27147 1 135 135 ALA . 27147 1 136 136 GLY . 27147 1 137 137 MET . 27147 1 138 138 ASN . 27147 1 139 139 ASP . 27147 1 140 140 VAL . 27147 1 141 141 SER . 27147 1 142 142 ALA . 27147 1 143 143 GLY . 27147 1 144 144 ASN . 27147 1 145 145 SER . 27147 1 146 146 GLY . 27147 1 147 147 ARG . 27147 1 148 148 GLY . 27147 1 149 149 GLN . 27147 1 150 150 GLY . 27147 1 151 151 GLY . 27147 1 152 152 TYR . 27147 1 153 153 GLY . 27147 1 154 154 GLN . 27147 1 155 155 GLY . 27147 1 156 156 SER . 27147 1 157 157 GLY . 27147 1 158 158 GLY . 27147 1 159 159 ASN . 27147 1 160 160 ALA . 27147 1 161 161 ALA . 27147 1 162 162 ALA . 27147 1 163 163 ALA . 27147 1 164 164 ALA . 27147 1 165 165 ALA . 27147 1 166 166 ALA . 27147 1 167 167 ALA . 27147 1 168 168 ALA . 27147 1 169 169 ALA . 27147 1 170 170 ALA . 27147 1 171 171 ALA . 27147 1 172 172 ALA . 27147 1 173 173 ALA . 27147 1 174 174 ALA . 27147 1 175 175 GLY . 27147 1 176 176 GLN . 27147 1 177 177 GLY . 27147 1 178 178 GLY . 27147 1 179 179 GLN . 27147 1 180 180 GLY . 27147 1 181 181 GLY . 27147 1 182 182 TYR . 27147 1 183 183 GLY . 27147 1 184 184 ARG . 27147 1 185 185 GLN . 27147 1 186 186 SER . 27147 1 187 187 GLN . 27147 1 188 188 GLY . 27147 1 189 189 ALA . 27147 1 190 190 GLY . 27147 1 191 191 SER . 27147 1 192 192 ALA . 27147 1 193 193 ALA . 27147 1 194 194 ALA . 27147 1 195 195 ALA . 27147 1 196 196 ALA . 27147 1 197 197 ALA . 27147 1 198 198 ALA . 27147 1 199 199 ALA . 27147 1 200 200 ALA . 27147 1 201 201 ALA . 27147 1 202 202 ALA . 27147 1 203 203 ALA . 27147 1 204 204 ALA . 27147 1 205 205 ALA . 27147 1 206 206 GLY . 27147 1 207 207 SER . 27147 1 208 208 GLY . 27147 1 209 209 GLN . 27147 1 210 210 GLY . 27147 1 211 211 GLY . 27147 1 212 212 TYR . 27147 1 213 213 GLY . 27147 1 214 214 GLY . 27147 1 215 215 GLN . 27147 1 216 216 GLY . 27147 1 217 217 GLN . 27147 1 218 218 GLY . 27147 1 219 219 GLY . 27147 1 220 220 TYR . 27147 1 221 221 GLY . 27147 1 222 222 GLN . 27147 1 223 223 SER . 27147 1 224 224 GLY . 27147 1 225 225 ASN . 27147 1 226 226 SER . 27147 1 227 227 VAL . 27147 1 228 228 THR . 27147 1 229 229 SER . 27147 1 230 230 GLY . 27147 1 231 231 GLY . 27147 1 232 232 TYR . 27147 1 233 233 GLY . 27147 1 234 234 TYR . 27147 1 235 235 GLY . 27147 1 236 236 THR . 27147 1 237 237 SER . 27147 1 238 238 ALA . 27147 1 239 239 ALA . 27147 1 240 240 ALA . 27147 1 241 241 GLY . 27147 1 242 242 ALA . 27147 1 243 243 GLY . 27147 1 244 244 VAL . 27147 1 245 245 ALA . 27147 1 246 246 ALA . 27147 1 247 247 GLY . 27147 1 248 248 SER . 27147 1 249 249 TYR . 27147 1 250 250 ALA . 27147 1 251 251 GLY . 27147 1 252 252 ALA . 27147 1 253 253 VAL . 27147 1 254 254 ASN . 27147 1 255 255 ARG . 27147 1 256 256 LEU . 27147 1 257 257 SER . 27147 1 258 258 SER . 27147 1 259 259 ALA . 27147 1 260 260 GLU . 27147 1 261 261 ALA . 27147 1 262 262 ALA . 27147 1 263 263 SER . 27147 1 264 264 ARG . 27147 1 265 265 VAL . 27147 1 266 266 SER . 27147 1 267 267 SER . 27147 1 268 268 ASN . 27147 1 269 269 ILE . 27147 1 270 270 ALA . 27147 1 271 271 ALA . 27147 1 272 272 ILE . 27147 1 273 273 ALA . 27147 1 274 274 SER . 27147 1 275 275 GLY . 27147 1 276 276 GLY . 27147 1 277 277 ALA . 27147 1 278 278 SER . 27147 1 279 279 ALA . 27147 1 280 280 LEU . 27147 1 281 281 PRO . 27147 1 282 282 SER . 27147 1 283 283 VAL . 27147 1 284 284 ILE . 27147 1 285 285 SER . 27147 1 286 286 ASN . 27147 1 287 287 ILE . 27147 1 288 288 TYR . 27147 1 289 289 SER . 27147 1 290 290 GLY . 27147 1 291 291 VAL . 27147 1 292 292 VAL . 27147 1 293 293 ALA . 27147 1 294 294 SER . 27147 1 295 295 GLY . 27147 1 296 296 VAL . 27147 1 297 297 SER . 27147 1 298 298 SER . 27147 1 299 299 ASN . 27147 1 300 300 GLU . 27147 1 301 301 ALA . 27147 1 302 302 LEU . 27147 1 303 303 ILE . 27147 1 304 304 GLN . 27147 1 305 305 ALA . 27147 1 306 306 LEU . 27147 1 307 307 LEU . 27147 1 308 308 GLU . 27147 1 309 309 LEU . 27147 1 310 310 LEU . 27147 1 311 311 SER . 27147 1 312 312 ALA . 27147 1 313 313 LEU . 27147 1 314 314 VAL . 27147 1 315 315 HIS . 27147 1 316 316 VAL . 27147 1 317 317 LEU . 27147 1 318 318 SER . 27147 1 319 319 SER . 27147 1 320 320 ALA . 27147 1 321 321 SER . 27147 1 322 322 ILE . 27147 1 323 323 GLY . 27147 1 324 324 ASN . 27147 1 325 325 VAL . 27147 1 326 326 SER . 27147 1 327 327 SER . 27147 1 328 328 VAL . 27147 1 329 329 GLY . 27147 1 330 330 VAL . 27147 1 331 331 ASP . 27147 1 332 332 SER . 27147 1 333 333 THR . 27147 1 334 334 LEU . 27147 1 335 335 ASN . 27147 1 336 336 VAL . 27147 1 337 337 VAL . 27147 1 338 338 GLN . 27147 1 339 339 ASP . 27147 1 340 340 SER . 27147 1 341 341 VAL . 27147 1 342 342 GLY . 27147 1 343 343 GLN . 27147 1 344 344 TYR . 27147 1 345 345 VAL . 27147 1 346 346 GLY . 27147 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 27147 1 . GLY 2 2 27147 1 . HIS 3 3 27147 1 . HIS 4 4 27147 1 . HIS 5 5 27147 1 . HIS 6 6 27147 1 . HIS 7 7 27147 1 . HIS 8 8 27147 1 . MET 9 9 27147 1 . SER 10 10 27147 1 . HIS 11 11 27147 1 . THR 12 12 27147 1 . THR 13 13 27147 1 . PRO 14 14 27147 1 . TRP 15 15 27147 1 . THR 16 16 27147 1 . ASN 17 17 27147 1 . PRO 18 18 27147 1 . GLY 19 19 27147 1 . LEU 20 20 27147 1 . ALA 21 21 27147 1 . GLU 22 22 27147 1 . ASN 23 23 27147 1 . PHE 24 24 27147 1 . MET 25 25 27147 1 . ASN 26 26 27147 1 . SER 27 27 27147 1 . PHE 28 28 27147 1 . MET 29 29 27147 1 . GLN 30 30 27147 1 . GLY 31 31 27147 1 . LEU 32 32 27147 1 . SER 33 33 27147 1 . SER 34 34 27147 1 . MET 35 35 27147 1 . PRO 36 36 27147 1 . GLY 37 37 27147 1 . PHE 38 38 27147 1 . THR 39 39 27147 1 . ALA 40 40 27147 1 . SER 41 41 27147 1 . GLN 42 42 27147 1 . LEU 43 43 27147 1 . ASP 44 44 27147 1 . ASP 45 45 27147 1 . MET 46 46 27147 1 . SER 47 47 27147 1 . THR 48 48 27147 1 . ILE 49 49 27147 1 . ALA 50 50 27147 1 . GLN 51 51 27147 1 . SER 52 52 27147 1 . MET 53 53 27147 1 . VAL 54 54 27147 1 . GLN 55 55 27147 1 . SER 56 56 27147 1 . ILE 57 57 27147 1 . GLN 58 58 27147 1 . SER 59 59 27147 1 . LEU 60 60 27147 1 . ALA 61 61 27147 1 . ALA 62 62 27147 1 . GLN 63 63 27147 1 . GLY 64 64 27147 1 . ARG 65 65 27147 1 . THR 66 66 27147 1 . SER 67 67 27147 1 . PRO 68 68 27147 1 . ASN 69 69 27147 1 . LYS 70 70 27147 1 . LEU 71 71 27147 1 . GLN 72 72 27147 1 . ALA 73 73 27147 1 . LEU 74 74 27147 1 . ASN 75 75 27147 1 . MET 76 76 27147 1 . ALA 77 77 27147 1 . PHE 78 78 27147 1 . ALA 79 79 27147 1 . SER 80 80 27147 1 . SER 81 81 27147 1 . MET 82 82 27147 1 . ALA 83 83 27147 1 . GLU 84 84 27147 1 . ILE 85 85 27147 1 . ALA 86 86 27147 1 . ALA 87 87 27147 1 . SER 88 88 27147 1 . GLU 89 89 27147 1 . GLU 90 90 27147 1 . GLY 91 91 27147 1 . GLY 92 92 27147 1 . GLY 93 93 27147 1 . SER 94 94 27147 1 . LEU 95 95 27147 1 . SER 96 96 27147 1 . THR 97 97 27147 1 . LYS 98 98 27147 1 . THR 99 99 27147 1 . SER 100 100 27147 1 . SER 101 101 27147 1 . ILE 102 102 27147 1 . ALA 103 103 27147 1 . SER 104 104 27147 1 . ALA 105 105 27147 1 . MET 106 106 27147 1 . SER 107 107 27147 1 . ASN 108 108 27147 1 . ALA 109 109 27147 1 . PHE 110 110 27147 1 . LEU 111 111 27147 1 . GLN 112 112 27147 1 . THR 113 113 27147 1 . THR 114 114 27147 1 . GLY 115 115 27147 1 . VAL 116 116 27147 1 . VAL 117 117 27147 1 . ASN 118 118 27147 1 . GLN 119 119 27147 1 . PRO 120 120 27147 1 . PHE 121 121 27147 1 . ILE 122 122 27147 1 . ASN 123 123 27147 1 . GLU 124 124 27147 1 . ILE 125 125 27147 1 . THR 126 126 27147 1 . GLN 127 127 27147 1 . LEU 128 128 27147 1 . VAL 129 129 27147 1 . SER 130 130 27147 1 . MET 131 131 27147 1 . PHE 132 132 27147 1 . ALA 133 133 27147 1 . GLN 134 134 27147 1 . ALA 135 135 27147 1 . GLY 136 136 27147 1 . MET 137 137 27147 1 . ASN 138 138 27147 1 . ASP 139 139 27147 1 . VAL 140 140 27147 1 . SER 141 141 27147 1 . ALA 142 142 27147 1 . GLY 143 143 27147 1 . ASN 144 144 27147 1 . SER 145 145 27147 1 . GLY 146 146 27147 1 . ARG 147 147 27147 1 . GLY 148 148 27147 1 . GLN 149 149 27147 1 . GLY 150 150 27147 1 . GLY 151 151 27147 1 . TYR 152 152 27147 1 . GLY 153 153 27147 1 . GLN 154 154 27147 1 . GLY 155 155 27147 1 . SER 156 156 27147 1 . GLY 157 157 27147 1 . GLY 158 158 27147 1 . ASN 159 159 27147 1 . ALA 160 160 27147 1 . ALA 161 161 27147 1 . ALA 162 162 27147 1 . ALA 163 163 27147 1 . ALA 164 164 27147 1 . ALA 165 165 27147 1 . ALA 166 166 27147 1 . ALA 167 167 27147 1 . ALA 168 168 27147 1 . ALA 169 169 27147 1 . ALA 170 170 27147 1 . ALA 171 171 27147 1 . ALA 172 172 27147 1 . ALA 173 173 27147 1 . ALA 174 174 27147 1 . GLY 175 175 27147 1 . GLN 176 176 27147 1 . GLY 177 177 27147 1 . GLY 178 178 27147 1 . GLN 179 179 27147 1 . GLY 180 180 27147 1 . GLY 181 181 27147 1 . TYR 182 182 27147 1 . GLY 183 183 27147 1 . ARG 184 184 27147 1 . GLN 185 185 27147 1 . SER 186 186 27147 1 . GLN 187 187 27147 1 . GLY 188 188 27147 1 . ALA 189 189 27147 1 . GLY 190 190 27147 1 . SER 191 191 27147 1 . ALA 192 192 27147 1 . ALA 193 193 27147 1 . ALA 194 194 27147 1 . ALA 195 195 27147 1 . ALA 196 196 27147 1 . ALA 197 197 27147 1 . ALA 198 198 27147 1 . ALA 199 199 27147 1 . ALA 200 200 27147 1 . ALA 201 201 27147 1 . ALA 202 202 27147 1 . ALA 203 203 27147 1 . ALA 204 204 27147 1 . ALA 205 205 27147 1 . GLY 206 206 27147 1 . SER 207 207 27147 1 . GLY 208 208 27147 1 . GLN 209 209 27147 1 . GLY 210 210 27147 1 . GLY 211 211 27147 1 . TYR 212 212 27147 1 . GLY 213 213 27147 1 . GLY 214 214 27147 1 . GLN 215 215 27147 1 . GLY 216 216 27147 1 . GLN 217 217 27147 1 . GLY 218 218 27147 1 . GLY 219 219 27147 1 . TYR 220 220 27147 1 . GLY 221 221 27147 1 . GLN 222 222 27147 1 . SER 223 223 27147 1 . GLY 224 224 27147 1 . ASN 225 225 27147 1 . SER 226 226 27147 1 . VAL 227 227 27147 1 . THR 228 228 27147 1 . SER 229 229 27147 1 . GLY 230 230 27147 1 . GLY 231 231 27147 1 . TYR 232 232 27147 1 . GLY 233 233 27147 1 . TYR 234 234 27147 1 . GLY 235 235 27147 1 . THR 236 236 27147 1 . SER 237 237 27147 1 . ALA 238 238 27147 1 . ALA 239 239 27147 1 . ALA 240 240 27147 1 . GLY 241 241 27147 1 . ALA 242 242 27147 1 . GLY 243 243 27147 1 . VAL 244 244 27147 1 . ALA 245 245 27147 1 . ALA 246 246 27147 1 . GLY 247 247 27147 1 . SER 248 248 27147 1 . TYR 249 249 27147 1 . ALA 250 250 27147 1 . GLY 251 251 27147 1 . ALA 252 252 27147 1 . VAL 253 253 27147 1 . ASN 254 254 27147 1 . ARG 255 255 27147 1 . LEU 256 256 27147 1 . SER 257 257 27147 1 . SER 258 258 27147 1 . ALA 259 259 27147 1 . GLU 260 260 27147 1 . ALA 261 261 27147 1 . ALA 262 262 27147 1 . SER 263 263 27147 1 . ARG 264 264 27147 1 . VAL 265 265 27147 1 . SER 266 266 27147 1 . SER 267 267 27147 1 . ASN 268 268 27147 1 . ILE 269 269 27147 1 . ALA 270 270 27147 1 . ALA 271 271 27147 1 . ILE 272 272 27147 1 . ALA 273 273 27147 1 . SER 274 274 27147 1 . GLY 275 275 27147 1 . GLY 276 276 27147 1 . ALA 277 277 27147 1 . SER 278 278 27147 1 . ALA 279 279 27147 1 . LEU 280 280 27147 1 . PRO 281 281 27147 1 . SER 282 282 27147 1 . VAL 283 283 27147 1 . ILE 284 284 27147 1 . SER 285 285 27147 1 . ASN 286 286 27147 1 . ILE 287 287 27147 1 . TYR 288 288 27147 1 . SER 289 289 27147 1 . GLY 290 290 27147 1 . VAL 291 291 27147 1 . VAL 292 292 27147 1 . ALA 293 293 27147 1 . SER 294 294 27147 1 . GLY 295 295 27147 1 . VAL 296 296 27147 1 . SER 297 297 27147 1 . SER 298 298 27147 1 . ASN 299 299 27147 1 . GLU 300 300 27147 1 . ALA 301 301 27147 1 . LEU 302 302 27147 1 . ILE 303 303 27147 1 . GLN 304 304 27147 1 . ALA 305 305 27147 1 . LEU 306 306 27147 1 . LEU 307 307 27147 1 . GLU 308 308 27147 1 . LEU 309 309 27147 1 . LEU 310 310 27147 1 . SER 311 311 27147 1 . ALA 312 312 27147 1 . LEU 313 313 27147 1 . VAL 314 314 27147 1 . HIS 315 315 27147 1 . VAL 316 316 27147 1 . LEU 317 317 27147 1 . SER 318 318 27147 1 . SER 319 319 27147 1 . ALA 320 320 27147 1 . SER 321 321 27147 1 . ILE 322 322 27147 1 . GLY 323 323 27147 1 . ASN 324 324 27147 1 . VAL 325 325 27147 1 . SER 326 326 27147 1 . SER 327 327 27147 1 . VAL 328 328 27147 1 . GLY 329 329 27147 1 . VAL 330 330 27147 1 . ASP 331 331 27147 1 . SER 332 332 27147 1 . THR 333 333 27147 1 . LEU 334 334 27147 1 . ASN 335 335 27147 1 . VAL 336 336 27147 1 . VAL 337 337 27147 1 . GLN 338 338 27147 1 . ASP 339 339 27147 1 . SER 340 340 27147 1 . VAL 341 341 27147 1 . GLY 342 342 27147 1 . GLN 343 343 27147 1 . TYR 344 344 27147 1 . VAL 345 345 27147 1 . GLY 346 346 27147 1 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 27147 _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 $NT-2Rep-CT . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 27147 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 27147 _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 $NT-2Rep-CT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pT7 . . . 27147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27147 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NT-2Rep-CT '[U-99% 13C; U-99% 15N]' . . 1 $NT-2Rep-CT . . 0.4 . . mM . . . . 27147 1 2 H2O 'natural abundance' . . . . . . 95 . . '% v/v' . . . . 27147 1 3 D2O [U-2H] . . . . . . 5 . . '% v/v' . . . . 27147 1 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 27147 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27147 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27147 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27147 _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' 0.0585 . M 27147 1 pH 6.7 . pH 27147 1 pressure 1 . atm 27147 1 temperature 298 . K 27147 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27147 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27147 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27147 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27147 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27147 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27147 3 processing 27147 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27147 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27147 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27147 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27147 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version 2.1b _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27147 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27147 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27147 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27147 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27147 1 2 spectrometer_2 Bruker Avance . 800 . . . 27147 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 27147 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27147 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27147 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27147 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27147 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27147 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27147 1 7 '3D HN(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27147 1 8 '3D HN(CO)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27147 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27147 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27147 _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 water protons . . . . ppm 4.77 internal indirect 0.251449530 . . . . . 27147 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 27147 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . 27147 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27147 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27147 1 2 '3D CBCA(CO)NH' . . . 27147 1 3 '3D HNCO' . . . 27147 1 4 '3D HNCA' . . . 27147 1 5 '3D 1H-15N NOESY' . . . 27147 1 6 '3D HN(CA)CO' . . . 27147 1 7 '3D HN(CA)NH' . . . 27147 1 8 '3D HN(CO)N' . . . 27147 1 9 '3D HNHA' . . . 27147 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 141 141 SER H H 1 8.360 0.020 . 1 . . . . . 141 SER H . 27147 1 2 . 1 1 141 141 SER C C 13 174.650 0.3 . 1 . . . . . 141 SER C . 27147 1 3 . 1 1 141 141 SER CA C 13 58.960 0.3 . 1 . . . . . 141 SER CA . 27147 1 4 . 1 1 141 141 SER CB C 13 63.800 0.3 . 1 . . . . . 141 SER CB . 27147 1 5 . 1 1 141 141 SER N N 15 118.400 0.3 . 1 . . . . . 141 SER N . 27147 1 6 . 1 1 142 142 ALA H H 1 8.190 0.020 . 1 . . . . . 142 ALA H . 27147 1 7 . 1 1 142 142 ALA C C 13 178.280 0.3 . 1 . . . . . 142 ALA C . 27147 1 8 . 1 1 142 142 ALA CA C 13 52.970 0.3 . 1 . . . . . 142 ALA CA . 27147 1 9 . 1 1 142 142 ALA CB C 13 19.080 0.3 . 1 . . . . . 142 ALA CB . 27147 1 10 . 1 1 142 142 ALA N N 15 125.400 0.3 . 1 . . . . . 142 ALA N . 27147 1 11 . 1 1 143 143 GLY H H 1 8.250 0.020 . 1 . . . . . 143 GLY H . 27147 1 12 . 1 1 143 143 GLY C C 13 174.210 0.3 . 1 . . . . . 143 GLY C . 27147 1 13 . 1 1 143 143 GLY CA C 13 45.590 0.3 . 1 . . . . . 143 GLY CA . 27147 1 14 . 1 1 143 143 GLY N N 15 107.240 0.3 . 1 . . . . . 143 GLY N . 27147 1 15 . 1 1 144 144 ASN H H 1 8.260 0.020 . 1 . . . . . 144 ASN H . 27147 1 16 . 1 1 144 144 ASN C C 13 175.510 0.3 . 1 . . . . . 144 ASN C . 27147 1 17 . 1 1 144 144 ASN CA C 13 53.280 0.3 . 1 . . . . . 144 ASN CA . 27147 1 18 . 1 1 144 144 ASN CB C 13 38.910 0.3 . 1 . . . . . 144 ASN CB . 27147 1 19 . 1 1 144 144 ASN N N 15 118.700 0.3 . 1 . . . . . 144 ASN N . 27147 1 20 . 1 1 145 145 SER H H 1 8.340 0.020 . 1 . . . . . 145 SER H . 27147 1 21 . 1 1 145 145 SER C C 13 175.080 0.3 . 1 . . . . . 145 SER C . 27147 1 22 . 1 1 145 145 SER CA C 13 58.990 0.3 . 1 . . . . . 145 SER CA . 27147 1 23 . 1 1 145 145 SER CB C 13 63.830 0.3 . 1 . . . . . 145 SER CB . 27147 1 24 . 1 1 145 145 SER N N 15 115.930 0.3 . 1 . . . . . 145 SER N . 27147 1 25 . 1 1 146 146 GLY H H 1 8.430 0.020 . 1 . . . . . 146 GLY H . 27147 1 26 . 1 1 146 146 GLY C C 13 174.240 0.3 . 1 . . . . . 146 GLY C . 27147 1 27 . 1 1 146 146 GLY CA C 13 45.480 0.3 . 1 . . . . . 146 GLY CA . 27147 1 28 . 1 1 146 146 GLY N N 15 110.470 0.3 . 1 . . . . . 146 GLY N . 27147 1 29 . 1 1 147 147 ARG H H 1 8.140 0.020 . 1 . . . . . 147 ARG H . 27147 1 30 . 1 1 147 147 ARG C C 13 176.880 0.3 . 1 . . . . . 147 ARG C . 27147 1 31 . 1 1 147 147 ARG CA C 13 56.370 0.3 . 1 . . . . . 147 ARG CA . 27147 1 32 . 1 1 147 147 ARG CB C 13 30.780 0.3 . 1 . . . . . 147 ARG CB . 27147 1 33 . 1 1 147 147 ARG N N 15 120.230 0.3 . 1 . . . . . 147 ARG N . 27147 1 34 . 1 1 148 148 GLY H H 1 8.480 0.020 . 1 . . . . . 148 GLY H . 27147 1 35 . 1 1 148 148 GLY C C 13 174.200 0.3 . 1 . . . . . 148 GLY C . 27147 1 36 . 1 1 148 148 GLY CA C 13 45.480 0.3 . 1 . . . . . 148 GLY CA . 27147 1 37 . 1 1 148 148 GLY N N 15 109.800 0.3 . 1 . . . . . 148 GLY N . 27147 1 38 . 1 1 149 149 GLN H H 1 8.280 0.020 . 1 . . . . . 149 GLN H . 27147 1 39 . 1 1 149 149 GLN C C 13 176.490 0.3 . 1 . . . . . 149 GLN C . 27147 1 40 . 1 1 149 149 GLN CA C 13 56.030 0.3 . 1 . . . . . 149 GLN CA . 27147 1 41 . 1 1 149 149 GLN CB C 13 29.250 0.3 . 1 . . . . . 149 GLN CB . 27147 1 42 . 1 1 149 149 GLN N N 15 119.680 0.3 . 1 . . . . . 149 GLN N . 27147 1 43 . 1 1 150 150 GLY H H 1 8.480 0.020 . 1 . . . . . 150 GLY H . 27147 1 44 . 1 1 150 150 GLY C C 13 174.380 0.3 . 1 . . . . . 150 GLY C . 27147 1 45 . 1 1 150 150 GLY CA C 13 45.410 0.3 . 1 . . . . . 150 GLY CA . 27147 1 46 . 1 1 150 150 GLY N N 15 109.850 0.3 . 1 . . . . . 150 GLY N . 27147 1 47 . 1 1 151 151 GLY H H 1 8.170 0.020 . 1 . . . . . 151 GLY H . 27147 1 48 . 1 1 151 151 GLY C C 13 173.950 0.3 . 1 . . . . . 151 GLY C . 27147 1 49 . 1 1 151 151 GLY CA C 13 45.170 0.3 . 1 . . . . . 151 GLY CA . 27147 1 50 . 1 1 151 151 GLY N N 15 108.390 0.3 . 1 . . . . . 151 GLY N . 27147 1 51 . 1 1 152 152 TYR H H 1 8.120 0.020 . 1 . . . . . 152 TYR H . 27147 1 52 . 1 1 152 152 TYR C C 13 176.530 0.3 . 1 . . . . . 152 TYR C . 27147 1 53 . 1 1 152 152 TYR CA C 13 58.300 0.3 . 1 . . . . . 152 TYR CA . 27147 1 54 . 1 1 152 152 TYR CB C 13 38.720 0.3 . 1 . . . . . 152 TYR CB . 27147 1 55 . 1 1 152 152 TYR N N 15 119.960 0.3 . 1 . . . . . 152 TYR N . 27147 1 56 . 1 1 153 153 GLY H H 1 8.410 0.020 . 1 . . . . . 153 GLY H . 27147 1 57 . 1 1 153 153 GLY C C 13 174.190 0.3 . 1 . . . . . 153 GLY C . 27147 1 58 . 1 1 153 153 GLY CA C 13 45.410 0.3 . 1 . . . . . 153 GLY CA . 27147 1 59 . 1 1 153 153 GLY N N 15 110.760 0.3 . 1 . . . . . 153 GLY N . 27147 1 60 . 1 1 154 154 GLN H H 1 8.260 0.020 . 1 . . . . . 154 GLN H . 27147 1 61 . 1 1 154 154 GLN C C 13 176.530 0.3 . 1 . . . . . 154 GLN C . 27147 1 62 . 1 1 154 154 GLN CA C 13 56.040 0.3 . 1 . . . . . 154 GLN CA . 27147 1 63 . 1 1 154 154 GLN CB C 13 29.320 0.3 . 1 . . . . . 154 GLN CB . 27147 1 64 . 1 1 154 154 GLN N N 15 119.790 0.3 . 1 . . . . . 154 GLN N . 27147 1 65 . 1 1 155 155 GLY H H 1 8.520 0.020 . 1 . . . . . 155 GLY H . 27147 1 66 . 1 1 155 155 GLY C C 13 174.270 0.3 . 1 . . . . . 155 GLY C . 27147 1 67 . 1 1 155 155 GLY CA C 13 45.350 0.3 . 1 . . . . . 155 GLY CA . 27147 1 68 . 1 1 155 155 GLY N N 15 110.170 0.3 . 1 . . . . . 155 GLY N . 27147 1 69 . 1 1 156 156 SER H H 1 8.310 0.020 . 1 . . . . . 156 SER H . 27147 1 70 . 1 1 156 156 SER C C 13 175.170 0.3 . 1 . . . . . 156 SER C . 27147 1 71 . 1 1 156 156 SER CA C 13 58.640 0.3 . 1 . . . . . 156 SER CA . 27147 1 72 . 1 1 156 156 SER CB C 13 63.900 0.3 . 1 . . . . . 156 SER CB . 27147 1 73 . 1 1 156 156 SER N N 15 115.690 0.3 . 1 . . . . . 156 SER N . 27147 1 74 . 1 1 157 157 GLY H H 1 8.550 0.020 . 1 . . . . . 157 GLY H . 27147 1 75 . 1 1 157 157 GLY C C 13 174.830 0.3 . 1 . . . . . 157 GLY C . 27147 1 76 . 1 1 157 157 GLY CA C 13 45.480 0.3 . 1 . . . . . 157 GLY CA . 27147 1 77 . 1 1 157 157 GLY N N 15 110.760 0.3 . 1 . . . . . 157 GLY N . 27147 1 78 . 1 1 158 158 GLY H H 1 8.290 0.020 . 1 . . . . . 158 GLY H . 27147 1 79 . 1 1 158 158 GLY C C 13 174.190 0.3 . 1 . . . . . 158 GLY C . 27147 1 80 . 1 1 158 158 GLY CA C 13 45.410 0.3 . 1 . . . . . 158 GLY CA . 27147 1 81 . 1 1 158 158 GLY N N 15 108.700 0.3 . 1 . . . . . 158 GLY N . 27147 1 82 . 1 1 159 159 ASN H H 1 8.330 0.020 . 1 . . . . . 159 ASN H . 27147 1 83 . 1 1 159 159 ASN C C 13 175.820 0.3 . 1 . . . . . 159 ASN C . 27147 1 84 . 1 1 159 159 ASN CA C 13 53.670 0.3 . 1 . . . . . 159 ASN CA . 27147 1 85 . 1 1 159 159 ASN CB C 13 38.650 0.3 . 1 . . . . . 159 ASN CB . 27147 1 86 . 1 1 159 159 ASN N N 15 119.200 0.3 . 1 . . . . . 159 ASN N . 27147 1 87 . 1 1 160 160 ALA H H 1 8.440 0.020 . 1 . . . . . 160 ALA H . 27147 1 88 . 1 1 160 160 ALA C C 13 179.150 0.3 . 1 . . . . . 160 ALA C . 27147 1 89 . 1 1 160 160 ALA CA C 13 54.360 0.3 . 1 . . . . . 160 ALA CA . 27147 1 90 . 1 1 160 160 ALA CB C 13 18.550 0.3 . 1 . . . . . 160 ALA CB . 27147 1 91 . 1 1 160 160 ALA N N 15 125.020 0.3 . 1 . . . . . 160 ALA N . 27147 1 92 . 1 1 161 161 ALA H H 1 8.250 0.020 . 1 . . . . . 161 ALA H . 27147 1 93 . 1 1 161 161 ALA C C 13 179.500 0.3 . 1 . . . . . 161 ALA C . 27147 1 94 . 1 1 161 161 ALA CA C 13 54.260 0.3 . 1 . . . . . 161 ALA CA . 27147 1 95 . 1 1 161 161 ALA CB C 13 18.290 0.3 . 1 . . . . . 161 ALA CB . 27147 1 96 . 1 1 161 161 ALA N N 15 122.350 0.3 . 1 . . . . . 161 ALA N . 27147 1 97 . 1 1 162 162 ALA H H 1 8.080 0.020 . 1 . . . . . 162 ALA H . 27147 1 98 . 1 1 162 162 ALA C C 13 179.650 0.3 . 1 . . . . . 162 ALA C . 27147 1 99 . 1 1 162 162 ALA CA C 13 54.150 0.3 . 1 . . . . . 162 ALA CA . 27147 1 100 . 1 1 162 162 ALA CB C 13 18.250 0.3 . 1 . . . . . 162 ALA CB . 27147 1 101 . 1 1 162 162 ALA N N 15 122.580 0.3 . 1 . . . . . 162 ALA N . 27147 1 102 . 1 1 163 163 ALA H H 1 8.110 0.020 . 1 . . . . . 163 ALA H . 27147 1 103 . 1 1 163 163 ALA C C 13 179.680 0.3 . 1 . . . . . 163 ALA C . 27147 1 104 . 1 1 163 163 ALA CA C 13 54.260 0.3 . 1 . . . . . 163 ALA CA . 27147 1 105 . 1 1 163 163 ALA CB C 13 18.160 0.3 . 1 . . . . . 163 ALA CB . 27147 1 106 . 1 1 163 163 ALA N N 15 122.480 0.3 . 1 . . . . . 163 ALA N . 27147 1 107 . 1 1 164 164 ALA H H 1 8.070 0.020 . 1 . . . . . 164 ALA H . 27147 1 108 . 1 1 164 164 ALA C C 13 179.590 0.3 . 1 . . . . . 164 ALA C . 27147 1 109 . 1 1 164 164 ALA CA C 13 54.220 0.3 . 1 . . . . . 164 ALA CA . 27147 1 110 . 1 1 164 164 ALA CB C 13 18.230 0.3 . 1 . . . . . 164 ALA CB . 27147 1 111 . 1 1 164 164 ALA N N 15 122.340 0.3 . 1 . . . . . 164 ALA N . 27147 1 112 . 1 1 165 165 ALA H H 1 8.120 0.020 . 1 . . . . . 165 ALA H . 27147 1 113 . 1 1 165 165 ALA C C 13 179.820 0.3 . 1 . . . . . 165 ALA C . 27147 1 114 . 1 1 165 165 ALA CA C 13 54.200 0.3 . 1 . . . . . 165 ALA CA . 27147 1 115 . 1 1 165 165 ALA CB C 13 18.170 0.3 . 1 . . . . . 165 ALA CB . 27147 1 116 . 1 1 165 165 ALA N N 15 122.440 0.3 . 1 . . . . . 165 ALA N . 27147 1 117 . 1 1 166 166 ALA C C 13 179.882 0.3 . 1 . . . . . 166 ALA C . 27147 1 118 . 1 1 166 166 ALA CA C 13 54.246 0.3 . 1 . . . . . 166 ALA CA . 27147 1 119 . 1 1 166 166 ALA CB C 13 18.183 0.3 . 1 . . . . . 166 ALA CB . 27147 1 120 . 1 1 167 167 ALA H H 1 8.080 0.020 . 1 . . . . . 167 ALA H . 27147 1 121 . 1 1 167 167 ALA C C 13 179.920 0.3 . 1 . . . . . 167 ALA C . 27147 1 122 . 1 1 167 167 ALA CA C 13 54.240 0.3 . 1 . . . . . 167 ALA CA . 27147 1 123 . 1 1 167 167 ALA CB C 13 18.150 0.3 . 1 . . . . . 167 ALA CB . 27147 1 124 . 1 1 167 167 ALA N N 15 122.400 0.3 . 1 . . . . . 167 ALA N . 27147 1 125 . 1 1 168 168 ALA H H 1 8.060 0.020 . 1 . . . . . 168 ALA H . 27147 1 126 . 1 1 168 168 ALA C C 13 179.700 0.3 . 1 . . . . . 168 ALA C . 27147 1 127 . 1 1 168 168 ALA CA C 13 54.230 0.3 . 1 . . . . . 168 ALA CA . 27147 1 128 . 1 1 168 168 ALA CB C 13 18.190 0.3 . 1 . . . . . 168 ALA CB . 27147 1 129 . 1 1 168 168 ALA N N 15 122.200 0.3 . 1 . . . . . 168 ALA N . 27147 1 130 . 1 1 169 169 ALA H H 1 8.010 0.020 . 1 . . . . . 169 ALA H . 27147 1 131 . 1 1 169 169 ALA C C 13 179.580 0.3 . 1 . . . . . 169 ALA C . 27147 1 132 . 1 1 169 169 ALA CA C 13 54.090 0.3 . 1 . . . . . 169 ALA CA . 27147 1 133 . 1 1 169 169 ALA CB C 13 18.230 0.3 . 1 . . . . . 169 ALA CB . 27147 1 134 . 1 1 169 169 ALA N N 15 121.980 0.3 . 1 . . . . . 169 ALA N . 27147 1 135 . 1 1 170 170 ALA H H 1 7.980 0.020 . 1 . . . . . 170 ALA H . 27147 1 136 . 1 1 170 170 ALA C C 13 179.370 0.3 . 1 . . . . . 170 ALA C . 27147 1 137 . 1 1 170 170 ALA CA C 13 53.960 0.3 . 1 . . . . . 170 ALA CA . 27147 1 138 . 1 1 170 170 ALA CB C 13 18.320 0.3 . 1 . . . . . 170 ALA CB . 27147 1 139 . 1 1 170 170 ALA N N 15 121.740 0.3 . 1 . . . . . 170 ALA N . 27147 1 140 . 1 1 171 171 ALA H H 1 7.930 0.020 . 1 . . . . . 171 ALA H . 27147 1 141 . 1 1 171 171 ALA C C 13 179.120 0.3 . 1 . . . . . 171 ALA C . 27147 1 142 . 1 1 171 171 ALA CB C 13 18.360 0.3 . 1 . . . . . 171 ALA CB . 27147 1 143 . 1 1 171 171 ALA N N 15 121.490 0.3 . 1 . . . . . 171 ALA N . 27147 1 144 . 1 1 172 172 ALA H H 1 7.890 0.020 . 1 . . . . . 172 ALA H . 27147 1 145 . 1 1 172 172 ALA C C 13 178.820 0.3 . 1 . . . . . 172 ALA C . 27147 1 146 . 1 1 172 172 ALA CA C 13 53.560 0.3 . 1 . . . . . 172 ALA CA . 27147 1 147 . 1 1 172 172 ALA CB C 13 18.620 0.3 . 1 . . . . . 172 ALA CB . 27147 1 148 . 1 1 172 172 ALA N N 15 121.250 0.3 . 1 . . . . . 172 ALA N . 27147 1 149 . 1 1 173 173 ALA H H 1 7.840 0.020 . 1 . . . . . 173 ALA H . 27147 1 150 . 1 1 173 173 ALA C C 13 178.170 0.3 . 1 . . . . . 173 ALA C . 27147 1 151 . 1 1 173 173 ALA CA C 13 53.180 0.3 . 1 . . . . . 173 ALA CA . 27147 1 152 . 1 1 173 173 ALA CB C 13 18.610 0.3 . 1 . . . . . 173 ALA CB . 27147 1 153 . 1 1 173 173 ALA N N 15 121.270 0.3 . 1 . . . . . 173 ALA N . 27147 1 154 . 1 1 174 174 ALA H H 1 7.850 0.020 . 1 . . . . . 174 ALA H . 27147 1 155 . 1 1 174 174 ALA C C 13 178.500 0.3 . 1 . . . . . 174 ALA C . 27147 1 156 . 1 1 174 174 ALA CA C 13 53.110 0.3 . 1 . . . . . 174 ALA CA . 27147 1 157 . 1 1 174 174 ALA CB C 13 18.880 0.3 . 1 . . . . . 174 ALA CB . 27147 1 158 . 1 1 174 174 ALA N N 15 121.380 0.3 . 1 . . . . . 174 ALA N . 27147 1 159 . 1 1 175 175 GLY H H 1 8.100 0.020 . 1 . . . . . 175 GLY H . 27147 1 160 . 1 1 175 175 GLY C C 13 174.480 0.3 . 1 . . . . . 175 GLY C . 27147 1 161 . 1 1 175 175 GLY CA C 13 45.550 0.3 . 1 . . . . . 175 GLY CA . 27147 1 162 . 1 1 175 175 GLY N N 15 106.900 0.3 . 1 . . . . . 175 GLY N . 27147 1 163 . 1 1 176 176 GLN H H 1 8.140 0.020 . 1 . . . . . 176 GLN H . 27147 1 164 . 1 1 176 176 GLN C C 13 176.590 0.3 . 1 . . . . . 176 GLN C . 27147 1 165 . 1 1 176 176 GLN CA C 13 56.000 0.3 . 1 . . . . . 176 GLN CA . 27147 1 166 . 1 1 176 176 GLN CB C 13 29.250 0.3 . 1 . . . . . 176 GLN CB . 27147 1 167 . 1 1 176 176 GLN N N 15 119.470 0.3 . 1 . . . . . 176 GLN N . 27147 1 168 . 1 1 177 177 GLY H H 1 8.470 0.020 . 1 . . . . . 177 GLY H . 27147 1 169 . 1 1 177 177 GLY C C 13 174.710 0.3 . 1 . . . . . 177 GLY C . 27147 1 170 . 1 1 177 177 GLY CA C 13 45.520 0.3 . 1 . . . . . 177 GLY CA . 27147 1 171 . 1 1 177 177 GLY N N 15 109.510 0.3 . 1 . . . . . 177 GLY N . 27147 1 172 . 1 1 178 178 GLY H H 1 8.270 0.020 . 1 . . . . . 178 GLY H . 27147 1 173 . 1 1 178 178 GLY C C 13 174.400 0.3 . 1 . . . . . 178 GLY C . 27147 1 174 . 1 1 178 178 GLY CA C 13 45.410 0.3 . 1 . . . . . 178 GLY CA . 27147 1 175 . 1 1 178 178 GLY N N 15 108.540 0.3 . 1 . . . . . 178 GLY N . 27147 1 176 . 1 1 179 179 GLN H H 1 8.350 0.020 . 1 . . . . . 179 GLN H . 27147 1 177 . 1 1 179 179 GLN C C 13 176.570 0.3 . 1 . . . . . 179 GLN C . 27147 1 178 . 1 1 179 179 GLN CA C 13 56.100 0.3 . 1 . . . . . 179 GLN CA . 27147 1 179 . 1 1 179 179 GLN CB C 13 29.250 0.3 . 1 . . . . . 179 GLN CB . 27147 1 180 . 1 1 179 179 GLN N N 15 119.770 0.3 . 1 . . . . . 179 GLN N . 27147 1 181 . 1 1 180 180 GLY H H 1 8.480 0.020 . 1 . . . . . 180 GLY H . 27147 1 182 . 1 1 180 180 GLY C C 13 174.440 0.3 . 1 . . . . . 180 GLY C . 27147 1 183 . 1 1 180 180 GLY CA C 13 45.450 0.3 . 1 . . . . . 180 GLY CA . 27147 1 184 . 1 1 180 180 GLY N N 15 109.790 0.3 . 1 . . . . . 180 GLY N . 27147 1 185 . 1 1 181 181 GLY H H 1 8.160 0.020 . 1 . . . . . 181 GLY H . 27147 1 186 . 1 1 181 181 GLY C C 13 173.940 0.3 . 1 . . . . . 181 GLY C . 27147 1 187 . 1 1 181 181 GLY CA C 13 45.170 0.3 . 1 . . . . . 181 GLY CA . 27147 1 188 . 1 1 181 181 GLY N N 15 108.390 0.3 . 1 . . . . . 181 GLY N . 27147 1 189 . 1 1 182 182 TYR H H 1 8.140 0.020 . 1 . . . . . 182 TYR H . 27147 1 190 . 1 1 182 182 TYR C C 13 176.490 0.3 . 1 . . . . . 182 TYR C . 27147 1 191 . 1 1 182 182 TYR CA C 13 58.220 0.3 . 1 . . . . . 182 TYR CA . 27147 1 192 . 1 1 182 182 TYR CB C 13 38.590 0.3 . 1 . . . . . 182 TYR CB . 27147 1 193 . 1 1 182 182 TYR N N 15 120.020 0.3 . 1 . . . . . 182 TYR N . 27147 1 194 . 1 1 183 183 GLY H H 1 8.380 0.020 . 1 . . . . . 183 GLY H . 27147 1 195 . 1 1 183 183 GLY C C 13 174.140 0.3 . 1 . . . . . 183 GLY C . 27147 1 196 . 1 1 183 183 GLY CA C 13 45.450 0.3 . 1 . . . . . 183 GLY CA . 27147 1 197 . 1 1 183 183 GLY N N 15 110.550 0.3 . 1 . . . . . 183 GLY N . 27147 1 198 . 1 1 184 184 ARG H H 1 8.130 0.020 . 1 . . . . . 184 ARG H . 27147 1 199 . 1 1 184 184 ARG C C 13 176.460 0.3 . 1 . . . . . 184 ARG C . 27147 1 200 . 1 1 184 184 ARG CA C 13 56.310 0.3 . 1 . . . . . 184 ARG CA . 27147 1 201 . 1 1 184 184 ARG CB C 13 30.560 0.3 . 1 . . . . . 184 ARG CB . 27147 1 202 . 1 1 184 184 ARG N N 15 120.380 0.3 . 1 . . . . . 184 ARG N . 27147 1 203 . 1 1 185 185 GLN H H 1 8.490 0.020 . 1 . . . . . 185 GLN H . 27147 1 204 . 1 1 185 185 GLN C C 13 176.080 0.3 . 1 . . . . . 185 GLN C . 27147 1 205 . 1 1 185 185 GLN CA C 13 56.100 0.3 . 1 . . . . . 185 GLN CA . 27147 1 206 . 1 1 185 185 GLN CB C 13 29.320 0.3 . 1 . . . . . 185 GLN CB . 27147 1 207 . 1 1 185 185 GLN N N 15 121.190 0.3 . 1 . . . . . 185 GLN N . 27147 1 208 . 1 1 186 186 SER H H 1 8.350 0.020 . 1 . . . . . 186 SER H . 27147 1 209 . 1 1 186 186 SER C C 13 174.500 0.3 . 1 . . . . . 186 SER C . 27147 1 210 . 1 1 186 186 SER CA C 13 58.500 0.3 . 1 . . . . . 186 SER CA . 27147 1 211 . 1 1 186 186 SER CB C 13 63.760 0.3 . 1 . . . . . 186 SER CB . 27147 1 212 . 1 1 186 186 SER N N 15 116.970 0.3 . 1 . . . . . 186 SER N . 27147 1 213 . 1 1 187 187 GLN H H 1 8.440 0.020 . 1 . . . . . 187 GLN H . 27147 1 214 . 1 1 187 187 GLN C C 13 176.370 0.3 . 1 . . . . . 187 GLN C . 27147 1 215 . 1 1 187 187 GLN CA C 13 56.070 0.3 . 1 . . . . . 187 GLN CA . 27147 1 216 . 1 1 187 187 GLN CB C 13 29.390 0.3 . 1 . . . . . 187 GLN CB . 27147 1 217 . 1 1 187 187 GLN N N 15 121.990 0.3 . 1 . . . . . 187 GLN N . 27147 1 218 . 1 1 188 188 GLY H H 1 8.420 0.020 . 1 . . . . . 188 GLY H . 27147 1 219 . 1 1 188 188 GLY C C 13 173.980 0.3 . 1 . . . . . 188 GLY C . 27147 1 220 . 1 1 188 188 GLY CA C 13 45.310 0.3 . 1 . . . . . 188 GLY CA . 27147 1 221 . 1 1 188 188 GLY N N 15 109.800 0.3 . 1 . . . . . 188 GLY N . 27147 1 222 . 1 1 189 189 ALA H H 1 8.300 0.020 . 1 . . . . . 189 ALA H . 27147 1 223 . 1 1 189 189 ALA C C 13 178.550 0.3 . 1 . . . . . 189 ALA C . 27147 1 224 . 1 1 189 189 ALA CA C 13 53.000 0.3 . 1 . . . . . 189 ALA CA . 27147 1 225 . 1 1 189 189 ALA CB C 13 19.140 0.3 . 1 . . . . . 189 ALA CB . 27147 1 226 . 1 1 189 189 ALA N N 15 124.090 0.3 . 1 . . . . . 189 ALA N . 27147 1 227 . 1 1 190 190 GLY H H 1 8.500 0.020 . 1 . . . . . 190 GLY H . 27147 1 228 . 1 1 190 190 GLY C C 13 174.710 0.3 . 1 . . . . . 190 GLY C . 27147 1 229 . 1 1 190 190 GLY CA C 13 45.480 0.3 . 1 . . . . . 190 GLY CA . 27147 1 230 . 1 1 190 190 GLY N N 15 108.200 0.3 . 1 . . . . . 190 GLY N . 27147 1 231 . 1 1 191 191 SER H H 1 8.180 0.020 . 1 . . . . . 191 SER H . 27147 1 232 . 1 1 191 191 SER C C 13 175.380 0.3 . 1 . . . . . 191 SER C . 27147 1 233 . 1 1 191 191 SER CA C 13 59.100 0.3 . 1 . . . . . 191 SER CA . 27147 1 234 . 1 1 191 191 SER CB C 13 63.870 0.3 . 1 . . . . . 191 SER CB . 27147 1 235 . 1 1 191 191 SER N N 15 116.130 0.3 . 1 . . . . . 191 SER N . 27147 1 236 . 1 1 192 192 ALA H H 1 8.520 0.020 . 1 . . . . . 192 ALA H . 27147 1 237 . 1 1 192 192 ALA C C 13 179.280 0.3 . 1 . . . . . 192 ALA C . 27147 1 238 . 1 1 192 192 ALA CA C 13 54.120 0.3 . 1 . . . . . 192 ALA CA . 27147 1 239 . 1 1 192 192 ALA CB C 13 18.360 0.3 . 1 . . . . . 192 ALA CB . 27147 1 240 . 1 1 192 192 ALA N N 15 126.440 0.3 . 1 . . . . . 192 ALA N . 27147 1 241 . 1 1 193 193 ALA H H 1 8.260 0.020 . 1 . . . . . 193 ALA H . 27147 1 242 . 1 1 193 193 ALA C C 13 179.440 0.3 . 1 . . . . . 193 ALA C . 27147 1 243 . 1 1 193 193 ALA CA C 13 54.050 0.3 . 1 . . . . . 193 ALA CA . 27147 1 244 . 1 1 193 193 ALA CB C 13 18.290 0.3 . 1 . . . . . 193 ALA CB . 27147 1 245 . 1 1 193 193 ALA N N 15 122.370 0.3 . 1 . . . . . 193 ALA N . 27147 1 246 . 1 1 194 194 ALA H H 1 8.090 0.020 . 1 . . . . . 194 ALA H . 27147 1 247 . 1 1 194 194 ALA C C 13 179.590 0.3 . 1 . . . . . 194 ALA C . 27147 1 248 . 1 1 194 194 ALA CA C 13 54.140 0.3 . 1 . . . . . 194 ALA CA . 27147 1 249 . 1 1 194 194 ALA CB C 13 18.111 0.3 . 1 . . . . . 194 ALA CB . 27147 1 250 . 1 1 194 194 ALA N N 15 122.610 0.3 . 1 . . . . . 194 ALA N . 27147 1 251 . 1 1 195 195 ALA H H 1 8.110 0.020 . 1 . . . . . 195 ALA H . 27147 1 252 . 1 1 195 195 ALA C C 13 179.670 0.3 . 1 . . . . . 195 ALA C . 27147 1 253 . 1 1 195 195 ALA CB C 13 18.230 0.3 . 1 . . . . . 195 ALA CB . 27147 1 254 . 1 1 195 195 ALA N N 15 122.570 0.3 . 1 . . . . . 195 ALA N . 27147 1 255 . 1 1 196 196 ALA H H 1 8.110 0.020 . 1 . . . . . 196 ALA H . 27147 1 256 . 1 1 196 196 ALA C C 13 179.840 0.3 . 1 . . . . . 196 ALA C . 27147 1 257 . 1 1 196 196 ALA CA C 13 54.220 0.3 . 1 . . . . . 196 ALA CA . 27147 1 258 . 1 1 196 196 ALA CB C 13 18.010 0.3 . 1 . . . . . 196 ALA CB . 27147 1 259 . 1 1 196 196 ALA N N 15 122.400 0.3 . 1 . . . . . 196 ALA N . 27147 1 260 . 1 1 197 197 ALA H H 1 8.080 0.020 . 1 . . . . . 197 ALA H . 27147 1 261 . 1 1 197 197 ALA C C 13 179.910 0.3 . 1 . . . . . 197 ALA C . 27147 1 262 . 1 1 197 197 ALA CA C 13 54.240 0.3 . 1 . . . . . 197 ALA CA . 27147 1 263 . 1 1 197 197 ALA CB C 13 18.160 0.3 . 1 . . . . . 197 ALA CB . 27147 1 264 . 1 1 197 197 ALA N N 15 122.360 0.3 . 1 . . . . . 197 ALA N . 27147 1 265 . 1 1 198 198 ALA H H 1 8.070 0.020 . 1 . . . . . 198 ALA H . 27147 1 266 . 1 1 198 198 ALA C C 13 179.610 0.3 . 1 . . . . . 198 ALA C . 27147 1 267 . 1 1 198 198 ALA CA C 13 54.240 0.3 . 1 . . . . . 198 ALA CA . 27147 1 268 . 1 1 198 198 ALA CB C 13 18.100 0.3 . 1 . . . . . 198 ALA CB . 27147 1 269 . 1 1 198 198 ALA N N 15 122.260 0.3 . 1 . . . . . 198 ALA N . 27147 1 270 . 1 1 199 199 ALA H H 1 8.040 0.020 . 1 . . . . . 199 ALA H . 27147 1 271 . 1 1 199 199 ALA C C 13 179.540 0.3 . 1 . . . . . 199 ALA C . 27147 1 272 . 1 1 199 199 ALA CA C 13 54.150 0.3 . 1 . . . . . 199 ALA CA . 27147 1 273 . 1 1 199 199 ALA CB C 13 18.160 0.3 . 1 . . . . . 199 ALA CB . 27147 1 274 . 1 1 199 199 ALA N N 15 122.180 0.3 . 1 . . . . . 199 ALA N . 27147 1 275 . 1 1 200 200 ALA H H 1 8.020 0.020 . 1 . . . . . 200 ALA H . 27147 1 276 . 1 1 200 200 ALA C C 13 179.370 0.3 . 1 . . . . . 200 ALA C . 27147 1 277 . 1 1 200 200 ALA CA C 13 54.080 0.3 . 1 . . . . . 200 ALA CA . 27147 1 278 . 1 1 200 200 ALA CB C 13 18.230 0.3 . 1 . . . . . 200 ALA CB . 27147 1 279 . 1 1 200 200 ALA N N 15 121.990 0.3 . 1 . . . . . 200 ALA N . 27147 1 280 . 1 1 201 201 ALA H H 1 7.990 0.020 . 1 . . . . . 201 ALA H . 27147 1 281 . 1 1 201 201 ALA C C 13 179.130 0.3 . 1 . . . . . 201 ALA C . 27147 1 282 . 1 1 201 201 ALA CA C 13 53.940 0.3 . 1 . . . . . 201 ALA CA . 27147 1 283 . 1 1 201 201 ALA CB C 13 18.360 0.3 . 1 . . . . . 201 ALA CB . 27147 1 284 . 1 1 201 201 ALA N N 15 121.860 0.3 . 1 . . . . . 201 ALA N . 27147 1 285 . 1 1 202 202 ALA H H 1 7.940 0.020 . 1 . . . . . 202 ALA H . 27147 1 286 . 1 1 202 202 ALA C C 13 178.860 0.3 . 1 . . . . . 202 ALA C . 27147 1 287 . 1 1 202 202 ALA CA C 13 53.730 0.3 . 1 . . . . . 202 ALA CA . 27147 1 288 . 1 1 202 202 ALA CB C 13 18.460 0.3 . 1 . . . . . 202 ALA CB . 27147 1 289 . 1 1 202 202 ALA N N 15 121.640 0.3 . 1 . . . . . 202 ALA N . 27147 1 290 . 1 1 203 203 ALA H H 1 7.910 0.020 . 1 . . . . . 203 ALA H . 27147 1 291 . 1 1 203 203 ALA C C 13 178.510 0.3 . 1 . . . . . 203 ALA C . 27147 1 292 . 1 1 203 203 ALA CA C 13 53.420 0.3 . 1 . . . . . 203 ALA CA . 27147 1 293 . 1 1 203 203 ALA CB C 13 18.610 0.3 . 1 . . . . . 203 ALA CB . 27147 1 294 . 1 1 203 203 ALA N N 15 121.580 0.3 . 1 . . . . . 203 ALA N . 27147 1 295 . 1 1 204 204 ALA H H 1 7.890 0.020 . 1 . . . . . 204 ALA H . 27147 1 296 . 1 1 204 204 ALA C C 13 178.050 0.3 . 1 . . . . . 204 ALA C . 27147 1 297 . 1 1 204 204 ALA CA C 13 53.060 0.3 . 1 . . . . . 204 ALA CA . 27147 1 298 . 1 1 204 204 ALA CB C 13 18.750 0.3 . 1 . . . . . 204 ALA CB . 27147 1 299 . 1 1 204 204 ALA N N 15 121.670 0.3 . 1 . . . . . 204 ALA N . 27147 1 300 . 1 1 205 205 ALA H H 1 7.940 0.020 . 1 . . . . . 205 ALA H . 27147 1 301 . 1 1 205 205 ALA C C 13 178.480 0.3 . 1 . . . . . 205 ALA C . 27147 1 302 . 1 1 205 205 ALA CA C 13 53.040 0.3 . 1 . . . . . 205 ALA CA . 27147 1 303 . 1 1 205 205 ALA CB C 13 18.880 0.3 . 1 . . . . . 205 ALA CB . 27147 1 304 . 1 1 205 205 ALA N N 15 121.880 0.3 . 1 . . . . . 205 ALA N . 27147 1 305 . 1 1 206 206 GLY H H 1 8.160 0.020 . 1 . . . . . 206 GLY H . 27147 1 306 . 1 1 206 206 GLY C C 13 174.420 0.3 . 1 . . . . . 206 GLY C . 27147 1 307 . 1 1 206 206 GLY CA C 13 45.460 0.3 . 1 . . . . . 206 GLY CA . 27147 1 308 . 1 1 206 206 GLY N N 15 107.350 0.3 . 1 . . . . . 206 GLY N . 27147 1 309 . 1 1 207 207 SER H H 1 8.160 0.020 . 1 . . . . . 207 SER H . 27147 1 310 . 1 1 207 207 SER C C 13 175.200 0.3 . 1 . . . . . 207 SER C . 27147 1 311 . 1 1 207 207 SER CA C 13 58.640 0.3 . 1 . . . . . 207 SER CA . 27147 1 312 . 1 1 207 207 SER CB C 13 63.940 0.3 . 1 . . . . . 207 SER CB . 27147 1 313 . 1 1 207 207 SER N N 15 115.430 0.3 . 1 . . . . . 207 SER N . 27147 1 314 . 1 1 208 208 GLY H H 1 8.470 0.020 . 1 . . . . . 208 GLY H . 27147 1 315 . 1 1 208 208 GLY C C 13 174.280 0.3 . 1 . . . . . 208 GLY C . 27147 1 316 . 1 1 208 208 GLY CA C 13 45.480 0.3 . 1 . . . . . 208 GLY CA . 27147 1 317 . 1 1 208 208 GLY N N 15 110.730 0.3 . 1 . . . . . 208 GLY N . 27147 1 318 . 1 1 209 209 GLN H H 1 8.260 0.020 . 1 . . . . . 209 GLN H . 27147 1 319 . 1 1 209 209 GLN C C 13 176.520 0.3 . 1 . . . . . 209 GLN C . 27147 1 320 . 1 1 209 209 GLN CA C 13 56.000 0.3 . 1 . . . . . 209 GLN CA . 27147 1 321 . 1 1 209 209 GLN CB C 13 29.390 0.3 . 1 . . . . . 209 GLN CB . 27147 1 322 . 1 1 209 209 GLN N N 15 119.680 0.3 . 1 . . . . . 209 GLN N . 27147 1 323 . 1 1 210 210 GLY H H 1 8.470 0.020 . 1 . . . . . 210 GLY H . 27147 1 324 . 1 1 210 210 GLY C C 13 174.410 0.3 . 1 . . . . . 210 GLY C . 27147 1 325 . 1 1 210 210 GLY CA C 13 45.410 0.3 . 1 . . . . . 210 GLY CA . 27147 1 326 . 1 1 210 210 GLY N N 15 109.800 0.3 . 1 . . . . . 210 GLY N . 27147 1 327 . 1 1 211 211 GLY H H 1 8.180 0.020 . 1 . . . . . 211 GLY H . 27147 1 328 . 1 1 211 211 GLY C C 13 173.960 0.3 . 1 . . . . . 211 GLY C . 27147 1 329 . 1 1 211 211 GLY CA C 13 45.170 0.3 . 1 . . . . . 211 GLY CA . 27147 1 330 . 1 1 211 211 GLY N N 15 108.410 0.3 . 1 . . . . . 211 GLY N . 27147 1 331 . 1 1 212 212 TYR H H 1 8.130 0.020 . 1 . . . . . 212 TYR H . 27147 1 332 . 1 1 212 212 TYR C C 13 176.490 0.3 . 1 . . . . . 212 TYR C . 27147 1 333 . 1 1 212 212 TYR CA C 13 58.190 0.3 . 1 . . . . . 212 TYR CA . 27147 1 334 . 1 1 212 212 TYR CB C 13 38.720 0.3 . 1 . . . . . 212 TYR CB . 27147 1 335 . 1 1 212 212 TYR N N 15 120.140 0.3 . 1 . . . . . 212 TYR N . 27147 1 336 . 1 1 213 213 GLY H H 1 8.410 0.020 . 1 . . . . . 213 GLY H . 27147 1 337 . 1 1 213 213 GLY C C 13 174.610 0.3 . 1 . . . . . 213 GLY C . 27147 1 338 . 1 1 213 213 GLY CA C 13 45.410 0.3 . 1 . . . . . 213 GLY CA . 27147 1 339 . 1 1 213 213 GLY N N 15 111.080 0.3 . 1 . . . . . 213 GLY N . 27147 1 340 . 1 1 214 214 GLY H H 1 7.940 0.020 . 1 . . . . . 214 GLY H . 27147 1 341 . 1 1 214 214 GLY C C 13 174.180 0.3 . 1 . . . . . 214 GLY C . 27147 1 342 . 1 1 214 214 GLY CA C 13 45.310 0.3 . 1 . . . . . 214 GLY CA . 27147 1 343 . 1 1 214 214 GLY N N 15 108.240 0.3 . 1 . . . . . 214 GLY N . 27147 1 344 . 1 1 215 215 GLN H H 1 8.310 0.020 . 1 . . . . . 215 GLN H . 27147 1 345 . 1 1 215 215 GLN C C 13 176.570 0.3 . 1 . . . . . 215 GLN C . 27147 1 346 . 1 1 215 215 GLN CA C 13 56.070 0.3 . 1 . . . . . 215 GLN CA . 27147 1 347 . 1 1 215 215 GLN CB C 13 29.320 0.3 . 1 . . . . . 215 GLN CB . 27147 1 348 . 1 1 215 215 GLN N N 15 119.580 0.3 . 1 . . . . . 215 GLN N . 27147 1 349 . 1 1 216 216 GLY H H 1 8.480 0.020 . 1 . . . . . 216 GLY H . 27147 1 350 . 1 1 216 216 GLY C C 13 174.170 0.3 . 1 . . . . . 216 GLY C . 27147 1 351 . 1 1 216 216 GLY CA C 13 45.390 0.3 . 1 . . . . . 216 GLY CA . 27147 1 352 . 1 1 216 216 GLY N N 15 109.920 0.3 . 1 . . . . . 216 GLY N . 27147 1 353 . 1 1 217 217 GLN H H 1 8.290 0.020 . 1 . . . . . 217 GLN H . 27147 1 354 . 1 1 217 217 GLN C C 13 176.500 0.3 . 1 . . . . . 217 GLN C . 27147 1 355 . 1 1 217 217 GLN CA C 13 55.960 0.3 . 1 . . . . . 217 GLN CA . 27147 1 356 . 1 1 217 217 GLN CB C 13 29.180 0.3 . 1 . . . . . 217 GLN CB . 27147 1 357 . 1 1 217 217 GLN N N 15 119.730 0.3 . 1 . . . . . 217 GLN N . 27147 1 358 . 1 1 218 218 GLY H H 1 8.470 0.020 . 1 . . . . . 218 GLY H . 27147 1 359 . 1 1 218 218 GLY C C 13 174.180 0.3 . 1 . . . . . 218 GLY C . 27147 1 360 . 1 1 218 218 GLY CA C 13 45.240 0.3 . 1 . . . . . 218 GLY CA . 27147 1 361 . 1 1 218 218 GLY N N 15 109.830 0.3 . 1 . . . . . 218 GLY N . 27147 1 362 . 1 1 219 219 GLY H H 1 8.170 0.020 . 1 . . . . . 219 GLY H . 27147 1 363 . 1 1 219 219 GLY C C 13 173.930 0.3 . 1 . . . . . 219 GLY C . 27147 1 364 . 1 1 219 219 GLY CA C 13 45.210 0.3 . 1 . . . . . 219 GLY CA . 27147 1 365 . 1 1 219 219 GLY N N 15 108.400 0.3 . 1 . . . . . 219 GLY N . 27147 1 366 . 1 1 220 220 TYR H H 1 8.120 0.020 . 1 . . . . . 220 TYR H . 27147 1 367 . 1 1 220 220 TYR C C 13 176.510 0.3 . 1 . . . . . 220 TYR C . 27147 1 368 . 1 1 220 220 TYR CA C 13 58.250 0.3 . 1 . . . . . 220 TYR CA . 27147 1 369 . 1 1 220 220 TYR CB C 13 38.650 0.3 . 1 . . . . . 220 TYR CB . 27147 1 370 . 1 1 220 220 TYR N N 15 120.040 0.3 . 1 . . . . . 220 TYR N . 27147 1 371 . 1 1 221 221 GLY H H 1 8.400 0.020 . 1 . . . . . 221 GLY H . 27147 1 372 . 1 1 221 221 GLY C C 13 174.100 0.3 . 1 . . . . . 221 GLY C . 27147 1 373 . 1 1 221 221 GLY CA C 13 45.380 0.3 . 1 . . . . . 221 GLY CA . 27147 1 374 . 1 1 221 221 GLY N N 15 110.810 0.3 . 1 . . . . . 221 GLY N . 27147 1 375 . 1 1 222 222 GLN H H 1 8.170 0.020 . 1 . . . . . 222 GLN H . 27147 1 376 . 1 1 222 222 GLN C C 13 176.090 0.3 . 1 . . . . . 222 GLN C . 27147 1 377 . 1 1 222 222 GLN CA C 13 55.820 0.3 . 1 . . . . . 222 GLN CA . 27147 1 378 . 1 1 222 222 GLN CB C 13 29.450 0.3 . 1 . . . . . 222 GLN CB . 27147 1 379 . 1 1 222 222 GLN N N 15 119.730 0.3 . 1 . . . . . 222 GLN N . 27147 1 380 . 1 1 223 223 SER H H 1 8.400 0.020 . 1 . . . . . 223 SER H . 27147 1 381 . 1 1 223 223 SER C C 13 174.920 0.3 . 1 . . . . . 223 SER C . 27147 1 382 . 1 1 223 223 SER CA C 13 58.540 0.3 . 1 . . . . . 223 SER CA . 27147 1 383 . 1 1 223 223 SER CB C 13 63.900 0.3 . 1 . . . . . 223 SER CB . 27147 1 384 . 1 1 223 223 SER N N 15 116.670 0.3 . 1 . . . . . 223 SER N . 27147 1 385 . 1 1 224 224 GLY H H 1 8.400 0.020 . 1 . . . . . 224 GLY H . 27147 1 386 . 1 1 224 224 GLY C C 13 173.800 0.3 . 1 . . . . . 224 GLY C . 27147 1 387 . 1 1 224 224 GLY CA C 13 45.350 0.3 . 1 . . . . . 224 GLY CA . 27147 1 388 . 1 1 224 224 GLY N N 15 110.600 0.3 . 1 . . . . . 224 GLY N . 27147 1 389 . 1 1 225 225 ASN H H 1 8.280 0.020 . 1 . . . . . 225 ASN H . 27147 1 390 . 1 1 225 225 ASN C C 13 175.180 0.3 . 1 . . . . . 225 ASN C . 27147 1 391 . 1 1 225 225 ASN CA C 13 53.400 0.3 . 1 . . . . . 225 ASN CA . 27147 1 392 . 1 1 225 225 ASN CB C 13 38.980 0.3 . 1 . . . . . 225 ASN CB . 27147 1 393 . 1 1 225 225 ASN N N 15 118.610 0.3 . 1 . . . . . 225 ASN N . 27147 1 394 . 1 1 226 226 SER H H 1 8.300 0.020 . 1 . . . . . 226 SER H . 27147 1 395 . 1 1 226 226 SER C C 13 174.480 0.3 . 1 . . . . . 226 SER C . 27147 1 396 . 1 1 226 226 SER CA C 13 58.490 0.3 . 1 . . . . . 226 SER CA . 27147 1 397 . 1 1 226 226 SER CB C 13 63.840 0.3 . 1 . . . . . 226 SER CB . 27147 1 398 . 1 1 226 226 SER N N 15 116.300 0.3 . 1 . . . . . 226 SER N . 27147 1 399 . 1 1 227 227 VAL H H 1 8.190 0.020 . 1 . . . . . 227 VAL H . 27147 1 400 . 1 1 227 227 VAL C C 13 176.510 0.3 . 1 . . . . . 227 VAL C . 27147 1 401 . 1 1 227 227 VAL CA C 13 62.610 0.3 . 1 . . . . . 227 VAL CA . 27147 1 402 . 1 1 227 227 VAL CB C 13 32.520 0.3 . 1 . . . . . 227 VAL CB . 27147 1 403 . 1 1 227 227 VAL N N 15 121.550 0.3 . 1 . . . . . 227 VAL N . 27147 1 404 . 1 1 228 228 THR H H 1 8.180 0.020 . 1 . . . . . 228 THR H . 27147 1 405 . 1 1 228 228 THR C C 13 174.600 0.3 . 1 . . . . . 228 THR C . 27147 1 406 . 1 1 228 228 THR CA C 13 61.780 0.3 . 1 . . . . . 228 THR CA . 27147 1 407 . 1 1 228 228 THR CB C 13 69.710 0.3 . 1 . . . . . 228 THR CB . 27147 1 408 . 1 1 228 228 THR N N 15 116.620 0.3 . 1 . . . . . 228 THR N . 27147 1 409 . 1 1 229 229 SER H H 1 8.240 0.020 . 1 . . . . . 229 SER H . 27147 1 410 . 1 1 229 229 SER C C 13 174.840 0.3 . 1 . . . . . 229 SER C . 27147 1 411 . 1 1 229 229 SER CA C 13 58.500 0.3 . 1 . . . . . 229 SER CA . 27147 1 412 . 1 1 229 229 SER CB C 13 63.870 0.3 . 1 . . . . . 229 SER CB . 27147 1 413 . 1 1 229 229 SER N N 15 117.810 0.3 . 1 . . . . . 229 SER N . 27147 1 414 . 1 1 230 230 GLY H H 1 8.320 0.020 . 1 . . . . . 230 GLY H . 27147 1 415 . 1 1 230 230 GLY C C 13 174.280 0.3 . 1 . . . . . 230 GLY C . 27147 1 416 . 1 1 230 230 GLY CA C 13 45.410 0.3 . 1 . . . . . 230 GLY CA . 27147 1 417 . 1 1 230 230 GLY N N 15 110.540 0.3 . 1 . . . . . 230 GLY N . 27147 1 418 . 1 1 231 231 GLY H H 1 8.150 0.020 . 1 . . . . . 231 GLY H . 27147 1 419 . 1 1 231 231 GLY C C 13 173.730 0.3 . 1 . . . . . 231 GLY C . 27147 1 420 . 1 1 231 231 GLY CA C 13 45.220 0.3 . 1 . . . . . 231 GLY CA . 27147 1 421 . 1 1 231 231 GLY N N 15 108.350 0.3 . 1 . . . . . 231 GLY N . 27147 1 422 . 1 1 232 232 TYR H H 1 8.110 0.020 . 1 . . . . . 232 TYR H . 27147 1 423 . 1 1 232 232 TYR C C 13 176.230 0.3 . 1 . . . . . 232 TYR C . 27147 1 424 . 1 1 232 232 TYR CA C 13 58.170 0.3 . 1 . . . . . 232 TYR CA . 27147 1 425 . 1 1 232 232 TYR CB C 13 38.720 0.3 . 1 . . . . . 232 TYR CB . 27147 1 426 . 1 1 232 232 TYR N N 15 119.940 0.3 . 1 . . . . . 232 TYR N . 27147 1 427 . 1 1 233 233 GLY H H 1 8.290 0.020 . 1 . . . . . 233 GLY H . 27147 1 428 . 1 1 233 233 GLY C C 13 173.770 0.3 . 1 . . . . . 233 GLY C . 27147 1 429 . 1 1 233 233 GLY CA C 13 45.220 0.3 . 1 . . . . . 233 GLY CA . 27147 1 430 . 1 1 233 233 GLY N N 15 110.430 0.3 . 1 . . . . . 233 GLY N . 27147 1 stop_ save_