data_27022 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27022 _Entry.Title ; 1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-03 _Entry.Accession_date 2017-02-03 _Entry.Last_release_date 2017-02-03 _Entry.Original_release_date 2017-02-03 _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 ; 1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride. ; 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 Zhalgas Serimbetov . . . . 27022 2 Nicola Baxter . J. . . 27022 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Manchester' . 27022 2 . 'University of Sheffield' . 27022 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27022 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1186 27022 '15N chemical shifts' 385 27022 '1H chemical shifts' 385 27022 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-02-06 2017-02-03 update BMRB 'update entry citation' 27022 1 . . 2017-09-06 2017-02-03 original author 'original release' 27022 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2WZB ; THE CATALYTICALLY ACTIVE FULLY CLOSED CONFORMATION OF HUMAN PHOSPHOGLYCERATE KINASE IN COMPLEX WITH ADP, 3PG AND MAGNESIUM TRIFLUORIDE ; 27022 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27022 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28866776 _Citation.Full_citation . _Citation.Title ; 1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 251 _Citation.Page_last 256 _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 Zhalgas Serimbetov . . . . 27022 1 2 Nicola Baxter . J. . . 27022 1 3 Matthew Cliff . J. . . 27022 1 4 Jonathan Waltho . P. . . 27022 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone resonance assignment' 27022 1 'Magnesium trifluoride' 27022 1 'Phosphoryl transfer enzyme' 27022 1 'Transition state analogue' 27022 1 'Transverse relaxation optimised spectroscopy' 27022 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27022 _Assembly.ID 1 _Assembly.Name PGK:3PG:MgF3:ADP:Mg2+ _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 45333.553 _Assembly.Enzyme_commission_number 'EC 2.7.2.3' _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 PGK 1 $PGK A . yes native no no . . . 27022 1 2 ADP 2 $entity_ADP B . no native no no . . . 27022 1 3 3PG 3 $entity_3PG C . no native no no . . . 27022 1 4 MgF3- 4 $entity_MGF D . no native no no . . . 27022 1 5 Mg2+ 5 $entity_MG E . no native no no . . . 27022 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2WZB . . X-ray 1.47 'crystal form of solution complex' . 27022 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transition state analogue of phosphoryl transfer' 27022 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PGK _Entity.Sf_category entity _Entity.Sf_framecode PGK _Entity.Entry_ID 27022 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PGK _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 ; MSLSNKLTLDKLDVKGKRVV MRVDFNVPMKNNQITNNQRI KAAVPSIKFCLDNGAKSVVL MSHLGRPDGVPMPDKYSLEP VAVELKSLLGKDVLFLKDCV GPEVEKACANPAAGSVILLE NLRFHVEEEGKGKDASGNKV KAEPAKIEAFRASLSKLGDV YVNDAFGTAHRAHSSMVGVN LPQKAGGFLMKKELNYFAKA LESPERPFLAILGGAKVADK IQLINNMLDKVNEMIIGGGM AFTFLKVLNNMEIGTSLFDE EGAKIVKDLMSKAEKNGVKI TLPVDFVTADKFDENAKTGQ ATVASGIPAGWMGLDCGPES SKKYAEAVTRAKQIVWNGPV GVFEWEAFARGTKALMDEVV KATSRGCITIIGGGDTATCC AKWNTEDKVSHVSTGGGASL ELLEGKVLPGVDALSNI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'For comparison with 2WZB, PGK is numbered S1-L2-S3-N4-K5.....I416' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 417 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 'EC 2.7.2.3' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 44614.69 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 2WZB . 'PGK:3PG:MgF3:ADP TSA complex' . . . . . . . . . . . . . . 27022 1 2 yes PDB 2XE6 . 'PGK:3PG complex' . . . . . . . . . . . . . . 27022 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; PGK catalyses the formation of ATP from ADP and 1,3-bisphosphoglycerate in glycolysis ; 27022 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 0 MET . 27022 1 2 1 SER . 27022 1 3 2 LEU . 27022 1 4 3 SER . 27022 1 5 4 ASN . 27022 1 6 5 LYS . 27022 1 7 6 LEU . 27022 1 8 7 THR . 27022 1 9 8 LEU . 27022 1 10 9 ASP . 27022 1 11 10 LYS . 27022 1 12 11 LEU . 27022 1 13 12 ASP . 27022 1 14 13 VAL . 27022 1 15 14 LYS . 27022 1 16 15 GLY . 27022 1 17 16 LYS . 27022 1 18 17 ARG . 27022 1 19 18 VAL . 27022 1 20 19 VAL . 27022 1 21 20 MET . 27022 1 22 21 ARG . 27022 1 23 22 VAL . 27022 1 24 23 ASP . 27022 1 25 24 PHE . 27022 1 26 25 ASN . 27022 1 27 26 VAL . 27022 1 28 27 PRO . 27022 1 29 28 MET . 27022 1 30 29 LYS . 27022 1 31 30 ASN . 27022 1 32 31 ASN . 27022 1 33 32 GLN . 27022 1 34 33 ILE . 27022 1 35 34 THR . 27022 1 36 35 ASN . 27022 1 37 36 ASN . 27022 1 38 37 GLN . 27022 1 39 38 ARG . 27022 1 40 39 ILE . 27022 1 41 40 LYS . 27022 1 42 41 ALA . 27022 1 43 42 ALA . 27022 1 44 43 VAL . 27022 1 45 44 PRO . 27022 1 46 45 SER . 27022 1 47 46 ILE . 27022 1 48 47 LYS . 27022 1 49 48 PHE . 27022 1 50 49 CYS . 27022 1 51 50 LEU . 27022 1 52 51 ASP . 27022 1 53 52 ASN . 27022 1 54 53 GLY . 27022 1 55 54 ALA . 27022 1 56 55 LYS . 27022 1 57 56 SER . 27022 1 58 57 VAL . 27022 1 59 58 VAL . 27022 1 60 59 LEU . 27022 1 61 60 MET . 27022 1 62 61 SER . 27022 1 63 62 HIS . 27022 1 64 63 LEU . 27022 1 65 64 GLY . 27022 1 66 65 ARG . 27022 1 67 66 PRO . 27022 1 68 67 ASP . 27022 1 69 68 GLY . 27022 1 70 69 VAL . 27022 1 71 70 PRO . 27022 1 72 71 MET . 27022 1 73 72 PRO . 27022 1 74 73 ASP . 27022 1 75 74 LYS . 27022 1 76 75 TYR . 27022 1 77 76 SER . 27022 1 78 77 LEU . 27022 1 79 78 GLU . 27022 1 80 79 PRO . 27022 1 81 80 VAL . 27022 1 82 81 ALA . 27022 1 83 82 VAL . 27022 1 84 83 GLU . 27022 1 85 84 LEU . 27022 1 86 85 LYS . 27022 1 87 86 SER . 27022 1 88 87 LEU . 27022 1 89 88 LEU . 27022 1 90 89 GLY . 27022 1 91 90 LYS . 27022 1 92 91 ASP . 27022 1 93 92 VAL . 27022 1 94 93 LEU . 27022 1 95 94 PHE . 27022 1 96 95 LEU . 27022 1 97 96 LYS . 27022 1 98 97 ASP . 27022 1 99 98 CYS . 27022 1 100 99 VAL . 27022 1 101 100 GLY . 27022 1 102 101 PRO . 27022 1 103 102 GLU . 27022 1 104 103 VAL . 27022 1 105 104 GLU . 27022 1 106 105 LYS . 27022 1 107 106 ALA . 27022 1 108 107 CYS . 27022 1 109 108 ALA . 27022 1 110 109 ASN . 27022 1 111 110 PRO . 27022 1 112 111 ALA . 27022 1 113 112 ALA . 27022 1 114 113 GLY . 27022 1 115 114 SER . 27022 1 116 115 VAL . 27022 1 117 116 ILE . 27022 1 118 117 LEU . 27022 1 119 118 LEU . 27022 1 120 119 GLU . 27022 1 121 120 ASN . 27022 1 122 121 LEU . 27022 1 123 122 ARG . 27022 1 124 123 PHE . 27022 1 125 124 HIS . 27022 1 126 125 VAL . 27022 1 127 126 GLU . 27022 1 128 127 GLU . 27022 1 129 128 GLU . 27022 1 130 129 GLY . 27022 1 131 130 LYS . 27022 1 132 131 GLY . 27022 1 133 132 LYS . 27022 1 134 133 ASP . 27022 1 135 134 ALA . 27022 1 136 135 SER . 27022 1 137 136 GLY . 27022 1 138 137 ASN . 27022 1 139 138 LYS . 27022 1 140 139 VAL . 27022 1 141 140 LYS . 27022 1 142 141 ALA . 27022 1 143 142 GLU . 27022 1 144 143 PRO . 27022 1 145 144 ALA . 27022 1 146 145 LYS . 27022 1 147 146 ILE . 27022 1 148 147 GLU . 27022 1 149 148 ALA . 27022 1 150 149 PHE . 27022 1 151 150 ARG . 27022 1 152 151 ALA . 27022 1 153 152 SER . 27022 1 154 153 LEU . 27022 1 155 154 SER . 27022 1 156 155 LYS . 27022 1 157 156 LEU . 27022 1 158 157 GLY . 27022 1 159 158 ASP . 27022 1 160 159 VAL . 27022 1 161 160 TYR . 27022 1 162 161 VAL . 27022 1 163 162 ASN . 27022 1 164 163 ASP . 27022 1 165 164 ALA . 27022 1 166 165 PHE . 27022 1 167 166 GLY . 27022 1 168 167 THR . 27022 1 169 168 ALA . 27022 1 170 169 HIS . 27022 1 171 170 ARG . 27022 1 172 171 ALA . 27022 1 173 172 HIS . 27022 1 174 173 SER . 27022 1 175 174 SER . 27022 1 176 175 MET . 27022 1 177 176 VAL . 27022 1 178 177 GLY . 27022 1 179 178 VAL . 27022 1 180 179 ASN . 27022 1 181 180 LEU . 27022 1 182 181 PRO . 27022 1 183 182 GLN . 27022 1 184 183 LYS . 27022 1 185 184 ALA . 27022 1 186 185 GLY . 27022 1 187 186 GLY . 27022 1 188 187 PHE . 27022 1 189 188 LEU . 27022 1 190 189 MET . 27022 1 191 190 LYS . 27022 1 192 191 LYS . 27022 1 193 192 GLU . 27022 1 194 193 LEU . 27022 1 195 194 ASN . 27022 1 196 195 TYR . 27022 1 197 196 PHE . 27022 1 198 197 ALA . 27022 1 199 198 LYS . 27022 1 200 199 ALA . 27022 1 201 200 LEU . 27022 1 202 201 GLU . 27022 1 203 202 SER . 27022 1 204 203 PRO . 27022 1 205 204 GLU . 27022 1 206 205 ARG . 27022 1 207 206 PRO . 27022 1 208 207 PHE . 27022 1 209 208 LEU . 27022 1 210 209 ALA . 27022 1 211 210 ILE . 27022 1 212 211 LEU . 27022 1 213 212 GLY . 27022 1 214 213 GLY . 27022 1 215 214 ALA . 27022 1 216 215 LYS . 27022 1 217 216 VAL . 27022 1 218 217 ALA . 27022 1 219 218 ASP . 27022 1 220 219 LYS . 27022 1 221 220 ILE . 27022 1 222 221 GLN . 27022 1 223 222 LEU . 27022 1 224 223 ILE . 27022 1 225 224 ASN . 27022 1 226 225 ASN . 27022 1 227 226 MET . 27022 1 228 227 LEU . 27022 1 229 228 ASP . 27022 1 230 229 LYS . 27022 1 231 230 VAL . 27022 1 232 231 ASN . 27022 1 233 232 GLU . 27022 1 234 233 MET . 27022 1 235 234 ILE . 27022 1 236 235 ILE . 27022 1 237 236 GLY . 27022 1 238 237 GLY . 27022 1 239 238 GLY . 27022 1 240 239 MET . 27022 1 241 240 ALA . 27022 1 242 241 PHE . 27022 1 243 242 THR . 27022 1 244 243 PHE . 27022 1 245 244 LEU . 27022 1 246 245 LYS . 27022 1 247 246 VAL . 27022 1 248 247 LEU . 27022 1 249 248 ASN . 27022 1 250 249 ASN . 27022 1 251 250 MET . 27022 1 252 251 GLU . 27022 1 253 252 ILE . 27022 1 254 253 GLY . 27022 1 255 254 THR . 27022 1 256 255 SER . 27022 1 257 256 LEU . 27022 1 258 257 PHE . 27022 1 259 258 ASP . 27022 1 260 259 GLU . 27022 1 261 260 GLU . 27022 1 262 261 GLY . 27022 1 263 262 ALA . 27022 1 264 263 LYS . 27022 1 265 264 ILE . 27022 1 266 265 VAL . 27022 1 267 266 LYS . 27022 1 268 267 ASP . 27022 1 269 268 LEU . 27022 1 270 269 MET . 27022 1 271 270 SER . 27022 1 272 271 LYS . 27022 1 273 272 ALA . 27022 1 274 273 GLU . 27022 1 275 274 LYS . 27022 1 276 275 ASN . 27022 1 277 276 GLY . 27022 1 278 277 VAL . 27022 1 279 278 LYS . 27022 1 280 279 ILE . 27022 1 281 280 THR . 27022 1 282 281 LEU . 27022 1 283 282 PRO . 27022 1 284 283 VAL . 27022 1 285 284 ASP . 27022 1 286 285 PHE . 27022 1 287 286 VAL . 27022 1 288 287 THR . 27022 1 289 288 ALA . 27022 1 290 289 ASP . 27022 1 291 290 LYS . 27022 1 292 291 PHE . 27022 1 293 292 ASP . 27022 1 294 293 GLU . 27022 1 295 294 ASN . 27022 1 296 295 ALA . 27022 1 297 296 LYS . 27022 1 298 297 THR . 27022 1 299 298 GLY . 27022 1 300 299 GLN . 27022 1 301 300 ALA . 27022 1 302 301 THR . 27022 1 303 302 VAL . 27022 1 304 303 ALA . 27022 1 305 304 SER . 27022 1 306 305 GLY . 27022 1 307 306 ILE . 27022 1 308 307 PRO . 27022 1 309 308 ALA . 27022 1 310 309 GLY . 27022 1 311 310 TRP . 27022 1 312 311 MET . 27022 1 313 312 GLY . 27022 1 314 313 LEU . 27022 1 315 314 ASP . 27022 1 316 315 CYS . 27022 1 317 316 GLY . 27022 1 318 317 PRO . 27022 1 319 318 GLU . 27022 1 320 319 SER . 27022 1 321 320 SER . 27022 1 322 321 LYS . 27022 1 323 322 LYS . 27022 1 324 323 TYR . 27022 1 325 324 ALA . 27022 1 326 325 GLU . 27022 1 327 326 ALA . 27022 1 328 327 VAL . 27022 1 329 328 THR . 27022 1 330 329 ARG . 27022 1 331 330 ALA . 27022 1 332 331 LYS . 27022 1 333 332 GLN . 27022 1 334 333 ILE . 27022 1 335 334 VAL . 27022 1 336 335 TRP . 27022 1 337 336 ASN . 27022 1 338 337 GLY . 27022 1 339 338 PRO . 27022 1 340 339 VAL . 27022 1 341 340 GLY . 27022 1 342 341 VAL . 27022 1 343 342 PHE . 27022 1 344 343 GLU . 27022 1 345 344 TRP . 27022 1 346 345 GLU . 27022 1 347 346 ALA . 27022 1 348 347 PHE . 27022 1 349 348 ALA . 27022 1 350 349 ARG . 27022 1 351 350 GLY . 27022 1 352 351 THR . 27022 1 353 352 LYS . 27022 1 354 353 ALA . 27022 1 355 354 LEU . 27022 1 356 355 MET . 27022 1 357 356 ASP . 27022 1 358 357 GLU . 27022 1 359 358 VAL . 27022 1 360 359 VAL . 27022 1 361 360 LYS . 27022 1 362 361 ALA . 27022 1 363 362 THR . 27022 1 364 363 SER . 27022 1 365 364 ARG . 27022 1 366 365 GLY . 27022 1 367 366 CYS . 27022 1 368 367 ILE . 27022 1 369 368 THR . 27022 1 370 369 ILE . 27022 1 371 370 ILE . 27022 1 372 371 GLY . 27022 1 373 372 GLY . 27022 1 374 373 GLY . 27022 1 375 374 ASP . 27022 1 376 375 THR . 27022 1 377 376 ALA . 27022 1 378 377 THR . 27022 1 379 378 CYS . 27022 1 380 379 CYS . 27022 1 381 380 ALA . 27022 1 382 381 LYS . 27022 1 383 382 TRP . 27022 1 384 383 ASN . 27022 1 385 384 THR . 27022 1 386 385 GLU . 27022 1 387 386 ASP . 27022 1 388 387 LYS . 27022 1 389 388 VAL . 27022 1 390 389 SER . 27022 1 391 390 HIS . 27022 1 392 391 VAL . 27022 1 393 392 SER . 27022 1 394 393 THR . 27022 1 395 394 GLY . 27022 1 396 395 GLY . 27022 1 397 396 GLY . 27022 1 398 397 ALA . 27022 1 399 398 SER . 27022 1 400 399 LEU . 27022 1 401 400 GLU . 27022 1 402 401 LEU . 27022 1 403 402 LEU . 27022 1 404 403 GLU . 27022 1 405 404 GLY . 27022 1 406 405 LYS . 27022 1 407 406 VAL . 27022 1 408 407 LEU . 27022 1 409 408 PRO . 27022 1 410 409 GLY . 27022 1 411 410 VAL . 27022 1 412 411 ASP . 27022 1 413 412 ALA . 27022 1 414 413 LEU . 27022 1 415 414 SER . 27022 1 416 415 ASN . 27022 1 417 416 ILE . 27022 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 27022 1 . SER 2 2 27022 1 . LEU 3 3 27022 1 . SER 4 4 27022 1 . ASN 5 5 27022 1 . LYS 6 6 27022 1 . LEU 7 7 27022 1 . THR 8 8 27022 1 . LEU 9 9 27022 1 . ASP 10 10 27022 1 . LYS 11 11 27022 1 . LEU 12 12 27022 1 . ASP 13 13 27022 1 . VAL 14 14 27022 1 . LYS 15 15 27022 1 . GLY 16 16 27022 1 . LYS 17 17 27022 1 . ARG 18 18 27022 1 . VAL 19 19 27022 1 . VAL 20 20 27022 1 . MET 21 21 27022 1 . ARG 22 22 27022 1 . VAL 23 23 27022 1 . ASP 24 24 27022 1 . PHE 25 25 27022 1 . ASN 26 26 27022 1 . VAL 27 27 27022 1 . PRO 28 28 27022 1 . MET 29 29 27022 1 . LYS 30 30 27022 1 . ASN 31 31 27022 1 . ASN 32 32 27022 1 . GLN 33 33 27022 1 . ILE 34 34 27022 1 . THR 35 35 27022 1 . ASN 36 36 27022 1 . ASN 37 37 27022 1 . GLN 38 38 27022 1 . ARG 39 39 27022 1 . ILE 40 40 27022 1 . LYS 41 41 27022 1 . ALA 42 42 27022 1 . ALA 43 43 27022 1 . VAL 44 44 27022 1 . PRO 45 45 27022 1 . SER 46 46 27022 1 . ILE 47 47 27022 1 . LYS 48 48 27022 1 . PHE 49 49 27022 1 . CYS 50 50 27022 1 . LEU 51 51 27022 1 . ASP 52 52 27022 1 . ASN 53 53 27022 1 . GLY 54 54 27022 1 . ALA 55 55 27022 1 . LYS 56 56 27022 1 . SER 57 57 27022 1 . VAL 58 58 27022 1 . VAL 59 59 27022 1 . LEU 60 60 27022 1 . MET 61 61 27022 1 . SER 62 62 27022 1 . HIS 63 63 27022 1 . LEU 64 64 27022 1 . GLY 65 65 27022 1 . ARG 66 66 27022 1 . PRO 67 67 27022 1 . ASP 68 68 27022 1 . GLY 69 69 27022 1 . VAL 70 70 27022 1 . PRO 71 71 27022 1 . MET 72 72 27022 1 . PRO 73 73 27022 1 . ASP 74 74 27022 1 . LYS 75 75 27022 1 . TYR 76 76 27022 1 . SER 77 77 27022 1 . LEU 78 78 27022 1 . GLU 79 79 27022 1 . PRO 80 80 27022 1 . VAL 81 81 27022 1 . ALA 82 82 27022 1 . VAL 83 83 27022 1 . GLU 84 84 27022 1 . LEU 85 85 27022 1 . LYS 86 86 27022 1 . SER 87 87 27022 1 . LEU 88 88 27022 1 . LEU 89 89 27022 1 . GLY 90 90 27022 1 . LYS 91 91 27022 1 . ASP 92 92 27022 1 . VAL 93 93 27022 1 . LEU 94 94 27022 1 . PHE 95 95 27022 1 . LEU 96 96 27022 1 . LYS 97 97 27022 1 . ASP 98 98 27022 1 . CYS 99 99 27022 1 . VAL 100 100 27022 1 . GLY 101 101 27022 1 . PRO 102 102 27022 1 . GLU 103 103 27022 1 . VAL 104 104 27022 1 . GLU 105 105 27022 1 . LYS 106 106 27022 1 . ALA 107 107 27022 1 . CYS 108 108 27022 1 . ALA 109 109 27022 1 . ASN 110 110 27022 1 . PRO 111 111 27022 1 . ALA 112 112 27022 1 . ALA 113 113 27022 1 . GLY 114 114 27022 1 . SER 115 115 27022 1 . VAL 116 116 27022 1 . ILE 117 117 27022 1 . LEU 118 118 27022 1 . LEU 119 119 27022 1 . GLU 120 120 27022 1 . ASN 121 121 27022 1 . LEU 122 122 27022 1 . ARG 123 123 27022 1 . PHE 124 124 27022 1 . HIS 125 125 27022 1 . VAL 126 126 27022 1 . GLU 127 127 27022 1 . GLU 128 128 27022 1 . GLU 129 129 27022 1 . GLY 130 130 27022 1 . LYS 131 131 27022 1 . GLY 132 132 27022 1 . LYS 133 133 27022 1 . ASP 134 134 27022 1 . ALA 135 135 27022 1 . SER 136 136 27022 1 . GLY 137 137 27022 1 . ASN 138 138 27022 1 . LYS 139 139 27022 1 . VAL 140 140 27022 1 . LYS 141 141 27022 1 . ALA 142 142 27022 1 . GLU 143 143 27022 1 . PRO 144 144 27022 1 . ALA 145 145 27022 1 . LYS 146 146 27022 1 . ILE 147 147 27022 1 . GLU 148 148 27022 1 . ALA 149 149 27022 1 . PHE 150 150 27022 1 . ARG 151 151 27022 1 . ALA 152 152 27022 1 . SER 153 153 27022 1 . LEU 154 154 27022 1 . SER 155 155 27022 1 . LYS 156 156 27022 1 . LEU 157 157 27022 1 . GLY 158 158 27022 1 . ASP 159 159 27022 1 . VAL 160 160 27022 1 . TYR 161 161 27022 1 . VAL 162 162 27022 1 . ASN 163 163 27022 1 . ASP 164 164 27022 1 . ALA 165 165 27022 1 . PHE 166 166 27022 1 . GLY 167 167 27022 1 . THR 168 168 27022 1 . ALA 169 169 27022 1 . HIS 170 170 27022 1 . ARG 171 171 27022 1 . ALA 172 172 27022 1 . HIS 173 173 27022 1 . SER 174 174 27022 1 . SER 175 175 27022 1 . MET 176 176 27022 1 . VAL 177 177 27022 1 . GLY 178 178 27022 1 . VAL 179 179 27022 1 . ASN 180 180 27022 1 . LEU 181 181 27022 1 . PRO 182 182 27022 1 . GLN 183 183 27022 1 . LYS 184 184 27022 1 . ALA 185 185 27022 1 . GLY 186 186 27022 1 . GLY 187 187 27022 1 . PHE 188 188 27022 1 . LEU 189 189 27022 1 . MET 190 190 27022 1 . LYS 191 191 27022 1 . LYS 192 192 27022 1 . GLU 193 193 27022 1 . LEU 194 194 27022 1 . ASN 195 195 27022 1 . TYR 196 196 27022 1 . PHE 197 197 27022 1 . ALA 198 198 27022 1 . LYS 199 199 27022 1 . ALA 200 200 27022 1 . LEU 201 201 27022 1 . GLU 202 202 27022 1 . SER 203 203 27022 1 . PRO 204 204 27022 1 . GLU 205 205 27022 1 . ARG 206 206 27022 1 . PRO 207 207 27022 1 . PHE 208 208 27022 1 . LEU 209 209 27022 1 . ALA 210 210 27022 1 . ILE 211 211 27022 1 . LEU 212 212 27022 1 . GLY 213 213 27022 1 . GLY 214 214 27022 1 . ALA 215 215 27022 1 . LYS 216 216 27022 1 . VAL 217 217 27022 1 . ALA 218 218 27022 1 . ASP 219 219 27022 1 . LYS 220 220 27022 1 . ILE 221 221 27022 1 . GLN 222 222 27022 1 . LEU 223 223 27022 1 . ILE 224 224 27022 1 . ASN 225 225 27022 1 . ASN 226 226 27022 1 . MET 227 227 27022 1 . LEU 228 228 27022 1 . ASP 229 229 27022 1 . LYS 230 230 27022 1 . VAL 231 231 27022 1 . ASN 232 232 27022 1 . GLU 233 233 27022 1 . MET 234 234 27022 1 . ILE 235 235 27022 1 . ILE 236 236 27022 1 . GLY 237 237 27022 1 . GLY 238 238 27022 1 . GLY 239 239 27022 1 . MET 240 240 27022 1 . ALA 241 241 27022 1 . PHE 242 242 27022 1 . THR 243 243 27022 1 . PHE 244 244 27022 1 . LEU 245 245 27022 1 . LYS 246 246 27022 1 . VAL 247 247 27022 1 . LEU 248 248 27022 1 . ASN 249 249 27022 1 . ASN 250 250 27022 1 . MET 251 251 27022 1 . GLU 252 252 27022 1 . ILE 253 253 27022 1 . GLY 254 254 27022 1 . THR 255 255 27022 1 . SER 256 256 27022 1 . LEU 257 257 27022 1 . PHE 258 258 27022 1 . ASP 259 259 27022 1 . GLU 260 260 27022 1 . GLU 261 261 27022 1 . GLY 262 262 27022 1 . ALA 263 263 27022 1 . LYS 264 264 27022 1 . ILE 265 265 27022 1 . VAL 266 266 27022 1 . LYS 267 267 27022 1 . ASP 268 268 27022 1 . LEU 269 269 27022 1 . MET 270 270 27022 1 . SER 271 271 27022 1 . LYS 272 272 27022 1 . ALA 273 273 27022 1 . GLU 274 274 27022 1 . LYS 275 275 27022 1 . ASN 276 276 27022 1 . GLY 277 277 27022 1 . VAL 278 278 27022 1 . LYS 279 279 27022 1 . ILE 280 280 27022 1 . THR 281 281 27022 1 . LEU 282 282 27022 1 . PRO 283 283 27022 1 . VAL 284 284 27022 1 . ASP 285 285 27022 1 . PHE 286 286 27022 1 . VAL 287 287 27022 1 . THR 288 288 27022 1 . ALA 289 289 27022 1 . ASP 290 290 27022 1 . LYS 291 291 27022 1 . PHE 292 292 27022 1 . ASP 293 293 27022 1 . GLU 294 294 27022 1 . ASN 295 295 27022 1 . ALA 296 296 27022 1 . LYS 297 297 27022 1 . THR 298 298 27022 1 . GLY 299 299 27022 1 . GLN 300 300 27022 1 . ALA 301 301 27022 1 . THR 302 302 27022 1 . VAL 303 303 27022 1 . ALA 304 304 27022 1 . SER 305 305 27022 1 . GLY 306 306 27022 1 . ILE 307 307 27022 1 . PRO 308 308 27022 1 . ALA 309 309 27022 1 . GLY 310 310 27022 1 . TRP 311 311 27022 1 . MET 312 312 27022 1 . GLY 313 313 27022 1 . LEU 314 314 27022 1 . ASP 315 315 27022 1 . CYS 316 316 27022 1 . GLY 317 317 27022 1 . PRO 318 318 27022 1 . GLU 319 319 27022 1 . SER 320 320 27022 1 . SER 321 321 27022 1 . LYS 322 322 27022 1 . LYS 323 323 27022 1 . TYR 324 324 27022 1 . ALA 325 325 27022 1 . GLU 326 326 27022 1 . ALA 327 327 27022 1 . VAL 328 328 27022 1 . THR 329 329 27022 1 . ARG 330 330 27022 1 . ALA 331 331 27022 1 . LYS 332 332 27022 1 . GLN 333 333 27022 1 . ILE 334 334 27022 1 . VAL 335 335 27022 1 . TRP 336 336 27022 1 . ASN 337 337 27022 1 . GLY 338 338 27022 1 . PRO 339 339 27022 1 . VAL 340 340 27022 1 . GLY 341 341 27022 1 . VAL 342 342 27022 1 . PHE 343 343 27022 1 . GLU 344 344 27022 1 . TRP 345 345 27022 1 . GLU 346 346 27022 1 . ALA 347 347 27022 1 . PHE 348 348 27022 1 . ALA 349 349 27022 1 . ARG 350 350 27022 1 . GLY 351 351 27022 1 . THR 352 352 27022 1 . LYS 353 353 27022 1 . ALA 354 354 27022 1 . LEU 355 355 27022 1 . MET 356 356 27022 1 . ASP 357 357 27022 1 . GLU 358 358 27022 1 . VAL 359 359 27022 1 . VAL 360 360 27022 1 . LYS 361 361 27022 1 . ALA 362 362 27022 1 . THR 363 363 27022 1 . SER 364 364 27022 1 . ARG 365 365 27022 1 . GLY 366 366 27022 1 . CYS 367 367 27022 1 . ILE 368 368 27022 1 . THR 369 369 27022 1 . ILE 370 370 27022 1 . ILE 371 371 27022 1 . GLY 372 372 27022 1 . GLY 373 373 27022 1 . GLY 374 374 27022 1 . ASP 375 375 27022 1 . THR 376 376 27022 1 . ALA 377 377 27022 1 . THR 378 378 27022 1 . CYS 379 379 27022 1 . CYS 380 380 27022 1 . ALA 381 381 27022 1 . LYS 382 382 27022 1 . TRP 383 383 27022 1 . ASN 384 384 27022 1 . THR 385 385 27022 1 . GLU 386 386 27022 1 . ASP 387 387 27022 1 . LYS 388 388 27022 1 . VAL 389 389 27022 1 . SER 390 390 27022 1 . HIS 391 391 27022 1 . VAL 392 392 27022 1 . SER 393 393 27022 1 . THR 394 394 27022 1 . GLY 395 395 27022 1 . GLY 396 396 27022 1 . GLY 397 397 27022 1 . ALA 398 398 27022 1 . SER 399 399 27022 1 . LEU 400 400 27022 1 . GLU 401 401 27022 1 . LEU 402 402 27022 1 . LEU 403 403 27022 1 . GLU 404 404 27022 1 . GLY 405 405 27022 1 . LYS 406 406 27022 1 . VAL 407 407 27022 1 . LEU 408 408 27022 1 . PRO 409 409 27022 1 . GLY 410 410 27022 1 . VAL 411 411 27022 1 . ASP 412 412 27022 1 . ALA 413 413 27022 1 . LEU 414 414 27022 1 . SER 415 415 27022 1 . ASN 416 416 27022 1 . ILE 417 417 27022 1 stop_ save_ save_entity_ADP _Entity.Sf_category entity _Entity.Sf_framecode entity_ADP _Entity.Entry_ID 27022 _Entity.ID 2 _Entity.BMRB_code ADP _Entity.Name entity_ADP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 427.201 _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 ADENOSINE-5'-DIPHOSPHATE BMRB 27022 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 27022 2 ADP 'Three letter code' 27022 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ADP $chem_comp_ADP 27022 2 stop_ save_ save_entity_3PG _Entity.Sf_category entity _Entity.Sf_framecode entity_3PG _Entity.Entry_ID 27022 _Entity.ID 3 _Entity.BMRB_code 3PG _Entity.Name entity_3PG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 3PG _Entity.Nonpolymer_comp_label $chem_comp_3PG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 186.057 _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 '3-PHOSPHOGLYCERIC ACID' BMRB 27022 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '3-PHOSPHOGLYCERIC ACID' BMRB 27022 3 3PG 'Three letter code' 27022 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 3PG $chem_comp_3PG 27022 3 stop_ save_ save_entity_MGF _Entity.Sf_category entity _Entity.Sf_framecode entity_MGF _Entity.Entry_ID 27022 _Entity.ID 4 _Entity.BMRB_code MGF _Entity.Name entity_MGF _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MGF _Entity.Nonpolymer_comp_label $chem_comp_MGF _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 81.300 _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 TRIFLUOROMAGNESATE BMRB 27022 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID TRIFLUOROMAGNESATE BMRB 27022 4 MGF 'Three letter code' 27022 4 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MGF $chem_comp_MGF 27022 4 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 27022 _Entity.ID 5 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 5 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _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 'MAGNESIUM ION' BMRB 27022 5 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 27022 5 MG 'Three letter code' 27022 5 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 27022 5 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 27022 _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 $PGK . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27022 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 27022 _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 $PGK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-3a . . . 27022 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 27022 _Chem_comp.ID ADP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADP _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 27 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 27022 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 27022 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 27022 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 27022 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 27022 ADP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 27022 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27022 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27022 ADP "adenosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 27022 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB PB PB PB . P . . N 0 . . . 1 no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 27022 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 27022 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 27022 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 27022 ADP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 27022 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 27022 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 27022 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 27022 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 27022 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 27022 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 27022 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 27022 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 27022 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 27022 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 27022 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 27022 ADP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 27022 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 27022 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 27022 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 27022 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 27022 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 27022 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 27022 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 27022 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 27022 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 27022 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 27022 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 27022 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 27022 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 27022 ADP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 27022 ADP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 27022 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 27022 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 27022 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 27022 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 27022 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 27022 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 27022 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 27022 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 27022 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 27022 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 27022 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 27022 ADP 2 . SING PB O2B no N 2 . 27022 ADP 3 . SING PB O3B no N 3 . 27022 ADP 4 . SING PB O3A no N 4 . 27022 ADP 5 . SING O2B HOB2 no N 5 . 27022 ADP 6 . SING O3B HOB3 no N 6 . 27022 ADP 7 . DOUB PA O1A no N 7 . 27022 ADP 8 . SING PA O2A no N 8 . 27022 ADP 9 . SING PA O3A no N 9 . 27022 ADP 10 . SING PA O5' no N 10 . 27022 ADP 11 . SING O2A HOA2 no N 11 . 27022 ADP 12 . SING O5' C5' no N 12 . 27022 ADP 13 . SING C5' C4' no N 13 . 27022 ADP 14 . SING C5' H5'1 no N 14 . 27022 ADP 15 . SING C5' H5'2 no N 15 . 27022 ADP 16 . SING C4' O4' no N 16 . 27022 ADP 17 . SING C4' C3' no N 17 . 27022 ADP 18 . SING C4' H4' no N 18 . 27022 ADP 19 . SING O4' C1' no N 19 . 27022 ADP 20 . SING C3' O3' no N 20 . 27022 ADP 21 . SING C3' C2' no N 21 . 27022 ADP 22 . SING C3' H3' no N 22 . 27022 ADP 23 . SING O3' HO3' no N 23 . 27022 ADP 24 . SING C2' O2' no N 24 . 27022 ADP 25 . SING C2' C1' no N 25 . 27022 ADP 26 . SING C2' H2' no N 26 . 27022 ADP 27 . SING O2' HO2' no N 27 . 27022 ADP 28 . SING C1' N9 no N 28 . 27022 ADP 29 . SING C1' H1' no N 29 . 27022 ADP 30 . SING N9 C8 yes N 30 . 27022 ADP 31 . SING N9 C4 yes N 31 . 27022 ADP 32 . DOUB C8 N7 yes N 32 . 27022 ADP 33 . SING C8 H8 no N 33 . 27022 ADP 34 . SING N7 C5 yes N 34 . 27022 ADP 35 . SING C5 C6 yes N 35 . 27022 ADP 36 . DOUB C5 C4 yes N 36 . 27022 ADP 37 . SING C6 N6 no N 37 . 27022 ADP 38 . DOUB C6 N1 yes N 38 . 27022 ADP 39 . SING N6 HN61 no N 39 . 27022 ADP 40 . SING N6 HN62 no N 40 . 27022 ADP 41 . SING N1 C2 yes N 41 . 27022 ADP 42 . DOUB C2 N3 yes N 42 . 27022 ADP 43 . SING C2 H2 no N 43 . 27022 ADP 44 . SING N3 C4 yes N 44 . 27022 ADP stop_ save_ save_chem_comp_3PG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_3PG _Chem_comp.Entry_ID 27022 _Chem_comp.ID 3PG _Chem_comp.Provenance PDB _Chem_comp.Name '3-PHOSPHOGLYCERIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 3PG _Chem_comp.PDB_code 3PG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MP3 _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 3PG _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H7 O7 P' _Chem_comp.Formula_weight 186.057 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1QHF _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C(C(=O)O)O)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 27022 3PG C([C@H](C(=O)O)O)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27022 3PG InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 InChI InChI 1.03 27022 3PG O=P(O)(O)OCC(O)C(=O)O SMILES ACDLabs 10.04 27022 3PG OSJPPGNTCRNQQC-UWTATZPHSA-N InChIKey InChI 1.03 27022 3PG O[C@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 27022 3PG O[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 27022 3PG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 27022 3PG '(2R)-2-hydroxy-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27022 3PG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -0.744 . 19.034 . -27.524 . -0.302 0.006 -2.852 1 . 27022 3PG O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -0.531 . 18.455 . -28.723 . 0.285 -0.633 -3.692 2 . 27022 3PG O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -0.375 . 20.326 . -27.423 . -1.625 0.202 -2.964 3 . 27022 3PG C2 C2 C2 C2 . C . . R 0 . . . 1 no no . . . . -1.371 . 18.380 . -26.368 . 0.448 0.582 -1.680 4 . 27022 3PG O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -0.437 . 17.437 . -25.824 . 1.831 0.239 -1.785 5 . 27022 3PG C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -2.680 . 17.749 . -26.851 . -0.121 0.012 -0.379 6 . 27022 3PG O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . -3.425 . 17.282 . -25.752 . 0.590 0.559 0.731 7 . 27022 3PG P P P P . P . . N 0 . . . 1 no no . . . . -4.499 . 18.399 . -25.160 . -0.057 -0.079 2.059 8 . 27022 3PG O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . -3.765 . 19.152 . -23.845 . 0.083 -1.552 2.018 9 . 27022 3PG O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . -4.731 . 19.624 . -26.311 . 0.701 0.495 3.357 10 . 27022 3PG O4P O4P O4P O4P . O . . N 0 . . . 1 no no . . . . -5.969 . 17.739 . -24.689 . -1.618 0.307 2.134 11 . 27022 3PG HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . -0.525 . 20.733 . -26.578 . -2.107 -0.167 -3.717 12 . 27022 3PG H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -1.624 . 19.089 . -25.546 . 0.342 1.667 -1.679 13 . 27022 3PG HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 no no . . . . -0.842 . 17.014 . -25.076 . 1.880 -0.726 -1.783 14 . 27022 3PG H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . -3.270 . 18.447 . -27.488 . -1.176 0.274 -0.299 15 . 27022 3PG H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . -2.503 . 16.948 . -27.606 . -0.015 -1.072 -0.381 16 . 27022 3PG HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . -5.346 . 20.263 . -25.972 . 0.283 0.088 4.129 17 . 27022 3PG HOP4 HOP4 HOP4 4HOP . H . . N 0 . . . 0 no no . . . . -6.584 . 18.378 . -24.350 . -1.666 1.273 2.160 18 . 27022 3PG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 27022 3PG 2 . SING C1 O2 no N 2 . 27022 3PG 3 . SING C1 C2 no N 3 . 27022 3PG 4 . SING O2 HO2 no N 4 . 27022 3PG 5 . SING C2 O3 no N 5 . 27022 3PG 6 . SING C2 C3 no N 6 . 27022 3PG 7 . SING C2 H2 no N 7 . 27022 3PG 8 . SING O3 HO3 no N 8 . 27022 3PG 9 . SING C3 O1P no N 9 . 27022 3PG 10 . SING C3 H31 no N 10 . 27022 3PG 11 . SING C3 H32 no N 11 . 27022 3PG 12 . SING O1P P no N 12 . 27022 3PG 13 . DOUB P O2P no N 13 . 27022 3PG 14 . SING P O3P no N 14 . 27022 3PG 15 . SING P O4P no N 15 . 27022 3PG 16 . SING O3P HOP3 no N 16 . 27022 3PG 17 . SING O4P HOP4 no N 17 . 27022 3PG stop_ save_ save_chem_comp_MGF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MGF _Chem_comp.Entry_ID 27022 _Chem_comp.ID MGF _Chem_comp.Provenance PDB _Chem_comp.Name TRIFLUOROMAGNESATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MGF _Chem_comp.PDB_code MGF _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MGF _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'F3 Mg' _Chem_comp.Formula_weight 81.300 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID F[Mg-](F)F SMILES ACDLabs 10.04 27022 MGF F[Mg-](F)F SMILES CACTVS 3.341 27022 MGF F[Mg-](F)F SMILES 'OpenEye OEToolkits' 1.5.0 27022 MGF F[Mg-](F)F SMILES_CANONICAL CACTVS 3.341 27022 MGF F[Mg-](F)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27022 MGF GJOMWUHGUQLOAC-UHFFFAOYSA-K InChIKey InChI 1.03 27022 MGF InChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3 InChI InChI 1.03 27022 MGF stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID trifluoromagnesate(1-) 'SYSTEMATIC NAME' ACDLabs 10.04 27022 MGF trifluoromagnesium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27022 MGF stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID F1 F1 F1 F1 . F . . N 0 . . . 1 no no . . . . 23.488 . 0.965 . 5.415 . -1.790 0.024 0.001 1 . 27022 MGF MG MG MG MG . MG . . N -1 . . . 0 no no . . . . 24.189 . 0.258 . 6.812 . 0.000 0.000 -0.002 2 . 27022 MGF F2 F2 F2 F2 . F . . N 0 . . . 1 no no . . . . 25.202 . -0.854 . 6.726 . 0.916 1.538 0.001 3 . 27022 MGF F3 F3 F3 F3 . F . . N 0 . . . 1 no no . . . . 23.790 . 1.013 . 8.099 . 0.874 -1.562 0.001 4 . 27022 MGF stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING F1 MG no N 1 . 27022 MGF 2 . SING MG F2 no N 2 . 27022 MGF 3 . SING MG F3 no N 3 . 27022 MGF stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 27022 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 27022 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 27022 MG [Mg++] SMILES CACTVS 3.341 27022 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 27022 MG [Mg+2] SMILES ACDLabs 10.04 27022 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 27022 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27022 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 27022 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27022 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27022 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27022 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PGK '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $PGK . . 0.5 . . mM . . . . 27022 1 2 ADP 'natural abundance' . . 2 $entity_ADP . . 10 . . mM . . . . 27022 1 3 3-phosphoglycerate 'natural abundance' . . 3 $entity_3PG . . 10 . . mM . . . . 27022 1 4 MgCl2 'natural abundance' . . 5 $entity_MG . . 5 . . mM . . . . 27022 1 5 NH4F 'natural abundance' . . . . . . 30 . . mM . . . . 27022 1 6 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 27022 1 7 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27022 1 8 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% v/v' . . . . 27022 1 9 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 27022 1 10 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 27022 1 11 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 27022 1 12 TSP '[U-99% 2H]' . . . . . . 0.5 . . '% v/v' . . . . 27022 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 27022 _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' 85 . mM 27022 1 pH 7.4 . pH 27022 1 pressure 1 . atm 27022 1 temperature 298 . K 27022 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27022 _Software.ID 1 _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' . . 27022 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27022 1 processing 27022 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27022 _Software.ID 2 _Software.Type . _Software.Name CCPN_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27022 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27022 2 'data analysis' 27022 2 'peak picking' 27022 2 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 27022 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _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 27022 _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 Bruker 'Avance III' . 800 . . . 27022 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 27022 _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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27022 1 2 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27022 1 3 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27022 1 4 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27022 1 5 '3D TROSY-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27022 1 6 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27022 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 27022 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27022 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27022 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27022 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 27022 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 ; Systematic chem_shift offset: TROSY offset: amide protons and amide nitrogens; 2H isotope effect: all 13C. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 27022 1 2 '3D TROSY-HNCA' . . . 27022 1 3 '3D TROSY-HNCACB' . . . 27022 1 4 '3D TROSY-HN(CO)CACB' . . . 27022 1 5 '3D TROSY-HN(CA)CO' . . . 27022 1 6 '3D TROSY-HNCO' . . . 27022 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27022 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 5 5 ASN C C 13 174.240 0.050 . 1 . . . . . 4 ASN C . 27022 1 2 . 1 1 5 5 ASN CA C 13 52.916 0.050 . 1 . . . . . 4 ASN CA . 27022 1 3 . 1 1 5 5 ASN CB C 13 37.855 0.050 . 1 . . . . . 4 ASN CB . 27022 1 4 . 1 1 6 6 LYS H H 1 7.487 0.005 . 1 . . . . . 5 LYS HN . 27022 1 5 . 1 1 6 6 LYS C C 13 175.858 0.050 . 1 . . . . . 5 LYS C . 27022 1 6 . 1 1 6 6 LYS CA C 13 51.760 0.050 . 1 . . . . . 5 LYS CA . 27022 1 7 . 1 1 6 6 LYS CB C 13 34.127 0.050 . 1 . . . . . 5 LYS CB . 27022 1 8 . 1 1 6 6 LYS N N 15 117.147 0.050 . 1 . . . . . 5 LYS N . 27022 1 9 . 1 1 7 7 LEU H H 1 8.385 0.005 . 1 . . . . . 6 LEU HN . 27022 1 10 . 1 1 7 7 LEU C C 13 175.548 0.050 . 1 . . . . . 6 LEU C . 27022 1 11 . 1 1 7 7 LEU CA C 13 55.313 0.050 . 1 . . . . . 6 LEU CA . 27022 1 12 . 1 1 7 7 LEU CB C 13 41.428 0.050 . 1 . . . . . 6 LEU CB . 27022 1 13 . 1 1 7 7 LEU N N 15 122.636 0.050 . 1 . . . . . 6 LEU N . 27022 1 14 . 1 1 8 8 THR H H 1 6.809 0.005 . 1 . . . . . 7 THR HN . 27022 1 15 . 1 1 8 8 THR C C 13 176.218 0.050 . 1 . . . . . 7 THR C . 27022 1 16 . 1 1 8 8 THR CA C 13 59.051 0.050 . 1 . . . . . 7 THR CA . 27022 1 17 . 1 1 8 8 THR CB C 13 71.203 0.050 . 1 . . . . . 7 THR CB . 27022 1 18 . 1 1 8 8 THR N N 15 113.081 0.050 . 1 . . . . . 7 THR N . 27022 1 19 . 1 1 9 9 LEU H H 1 8.120 0.005 . 1 . . . . . 8 LEU HN . 27022 1 20 . 1 1 9 9 LEU C C 13 174.339 0.050 . 1 . . . . . 8 LEU C . 27022 1 21 . 1 1 9 9 LEU CA C 13 56.982 0.050 . 1 . . . . . 8 LEU CA . 27022 1 22 . 1 1 9 9 LEU CB C 13 42.449 0.050 . 1 . . . . . 8 LEU CB . 27022 1 23 . 1 1 9 9 LEU N N 15 121.183 0.050 . 1 . . . . . 8 LEU N . 27022 1 24 . 1 1 10 10 ASP H H 1 8.518 0.005 . 1 . . . . . 9 ASP HN . 27022 1 25 . 1 1 10 10 ASP C C 13 176.375 0.050 . 1 . . . . . 9 ASP C . 27022 1 26 . 1 1 10 10 ASP CA C 13 54.637 0.050 . 1 . . . . . 9 ASP CA . 27022 1 27 . 1 1 10 10 ASP CB C 13 38.506 0.050 . 1 . . . . . 9 ASP CB . 27022 1 28 . 1 1 10 10 ASP N N 15 109.839 0.050 . 1 . . . . . 9 ASP N . 27022 1 29 . 1 1 11 11 LYS H H 1 7.540 0.005 . 1 . . . . . 10 LYS HN . 27022 1 30 . 1 1 11 11 LYS C C 13 175.324 0.050 . 1 . . . . . 10 LYS C . 27022 1 31 . 1 1 11 11 LYS CA C 13 54.407 0.050 . 1 . . . . . 10 LYS CA . 27022 1 32 . 1 1 11 11 LYS CB C 13 32.130 0.050 . 1 . . . . . 10 LYS CB . 27022 1 33 . 1 1 11 11 LYS N N 15 117.865 0.050 . 1 . . . . . 10 LYS N . 27022 1 34 . 1 1 12 12 LEU H H 1 7.512 0.005 . 1 . . . . . 11 LEU HN . 27022 1 35 . 1 1 12 12 LEU C C 13 174.956 0.050 . 1 . . . . . 11 LEU C . 27022 1 36 . 1 1 12 12 LEU CA C 13 53.448 0.050 . 1 . . . . . 11 LEU CA . 27022 1 37 . 1 1 12 12 LEU CB C 13 43.715 0.050 . 1 . . . . . 11 LEU CB . 27022 1 38 . 1 1 12 12 LEU N N 15 123.212 0.050 . 1 . . . . . 11 LEU N . 27022 1 39 . 1 1 13 13 ASP H H 1 8.422 0.005 . 1 . . . . . 12 ASP HN . 27022 1 40 . 1 1 13 13 ASP C C 13 176.626 0.050 . 1 . . . . . 12 ASP C . 27022 1 41 . 1 1 13 13 ASP CA C 13 52.971 0.050 . 1 . . . . . 12 ASP CA . 27022 1 42 . 1 1 13 13 ASP CB C 13 39.747 0.050 . 1 . . . . . 12 ASP CB . 27022 1 43 . 1 1 13 13 ASP N N 15 125.470 0.050 . 1 . . . . . 12 ASP N . 27022 1 44 . 1 1 14 14 VAL H H 1 8.072 0.005 . 1 . . . . . 13 VAL HN . 27022 1 45 . 1 1 14 14 VAL C C 13 175.901 0.050 . 1 . . . . . 13 VAL C . 27022 1 46 . 1 1 14 14 VAL CA C 13 60.017 0.050 . 1 . . . . . 13 VAL CA . 27022 1 47 . 1 1 14 14 VAL CB C 13 31.142 0.050 . 1 . . . . . 13 VAL CB . 27022 1 48 . 1 1 14 14 VAL N N 15 116.965 0.050 . 1 . . . . . 13 VAL N . 27022 1 49 . 1 1 15 15 LYS H H 1 7.733 0.005 . 1 . . . . . 14 LYS HN . 27022 1 50 . 1 1 15 15 LYS C C 13 178.725 0.050 . 1 . . . . . 14 LYS C . 27022 1 51 . 1 1 15 15 LYS CA C 13 58.576 0.050 . 1 . . . . . 14 LYS CA . 27022 1 52 . 1 1 15 15 LYS CB C 13 30.515 0.050 . 1 . . . . . 14 LYS CB . 27022 1 53 . 1 1 15 15 LYS N N 15 124.834 0.050 . 1 . . . . . 14 LYS N . 27022 1 54 . 1 1 16 16 GLY H H 1 8.575 0.005 . 1 . . . . . 15 GLY HN . 27022 1 55 . 1 1 16 16 GLY C C 13 173.939 0.050 . 1 . . . . . 15 GLY C . 27022 1 56 . 1 1 16 16 GLY CA C 13 45.449 0.050 . 1 . . . . . 15 GLY CA . 27022 1 57 . 1 1 16 16 GLY N N 15 115.227 0.050 . 1 . . . . . 15 GLY N . 27022 1 58 . 1 1 17 17 LYS H H 1 8.169 0.005 . 1 . . . . . 16 LYS HN . 27022 1 59 . 1 1 17 17 LYS C C 13 176.546 0.050 . 1 . . . . . 16 LYS C . 27022 1 60 . 1 1 17 17 LYS CA C 13 54.042 0.050 . 1 . . . . . 16 LYS CA . 27022 1 61 . 1 1 17 17 LYS CB C 13 33.191 0.050 . 1 . . . . . 16 LYS CB . 27022 1 62 . 1 1 17 17 LYS N N 15 118.208 0.050 . 1 . . . . . 16 LYS N . 27022 1 63 . 1 1 18 18 ARG H H 1 9.423 0.005 . 1 . . . . . 17 ARG HN . 27022 1 64 . 1 1 18 18 ARG C C 13 176.537 0.050 . 1 . . . . . 17 ARG C . 27022 1 65 . 1 1 18 18 ARG CA C 13 54.754 0.050 . 1 . . . . . 17 ARG CA . 27022 1 66 . 1 1 18 18 ARG CB C 13 29.179 0.050 . 1 . . . . . 17 ARG CB . 27022 1 67 . 1 1 18 18 ARG N N 15 123.705 0.050 . 1 . . . . . 17 ARG N . 27022 1 68 . 1 1 19 19 VAL H H 1 8.863 0.005 . 1 . . . . . 18 VAL HN . 27022 1 69 . 1 1 19 19 VAL C C 13 174.721 0.050 . 1 . . . . . 18 VAL C . 27022 1 70 . 1 1 19 19 VAL CA C 13 61.249 0.050 . 1 . . . . . 18 VAL CA . 27022 1 71 . 1 1 19 19 VAL CB C 13 32.309 0.050 . 1 . . . . . 18 VAL CB . 27022 1 72 . 1 1 19 19 VAL N N 15 129.833 0.050 . 1 . . . . . 18 VAL N . 27022 1 73 . 1 1 20 20 VAL H H 1 8.630 0.005 . 1 . . . . . 19 VAL HN . 27022 1 74 . 1 1 20 20 VAL C C 13 172.691 0.050 . 1 . . . . . 19 VAL C . 27022 1 75 . 1 1 20 20 VAL CA C 13 59.651 0.050 . 1 . . . . . 19 VAL CA . 27022 1 76 . 1 1 20 20 VAL CB C 13 32.267 0.050 . 1 . . . . . 19 VAL CB . 27022 1 77 . 1 1 20 20 VAL N N 15 128.011 0.050 . 1 . . . . . 19 VAL N . 27022 1 78 . 1 1 21 21 MET H H 1 9.773 0.005 . 1 . . . . . 20 MET HN . 27022 1 79 . 1 1 21 21 MET C C 13 174.432 0.050 . 1 . . . . . 20 MET C . 27022 1 80 . 1 1 21 21 MET CA C 13 52.324 0.050 . 1 . . . . . 20 MET CA . 27022 1 81 . 1 1 21 21 MET CB C 13 36.010 0.050 . 1 . . . . . 20 MET CB . 27022 1 82 . 1 1 21 21 MET N N 15 130.341 0.050 . 1 . . . . . 20 MET N . 27022 1 83 . 1 1 22 22 ARG H H 1 8.314 0.005 . 1 . . . . . 21 ARG HN . 27022 1 84 . 1 1 22 22 ARG C C 13 175.232 0.050 . 1 . . . . . 21 ARG C . 27022 1 85 . 1 1 22 22 ARG CA C 13 54.994 0.050 . 1 . . . . . 21 ARG CA . 27022 1 86 . 1 1 22 22 ARG CB C 13 30.292 0.050 . 1 . . . . . 21 ARG CB . 27022 1 87 . 1 1 22 22 ARG N N 15 130.674 0.050 . 1 . . . . . 21 ARG N . 27022 1 88 . 1 1 23 23 VAL H H 1 8.373 0.005 . 1 . . . . . 22 VAL HN . 27022 1 89 . 1 1 23 23 VAL C C 13 175.114 0.050 . 1 . . . . . 22 VAL C . 27022 1 90 . 1 1 23 23 VAL CA C 13 58.589 0.050 . 1 . . . . . 22 VAL CA . 27022 1 91 . 1 1 23 23 VAL CB C 13 35.251 0.050 . 1 . . . . . 22 VAL CB . 27022 1 92 . 1 1 23 23 VAL N N 15 118.665 0.050 . 1 . . . . . 22 VAL N . 27022 1 93 . 1 1 24 24 ASP H H 1 9.391 0.005 . 1 . . . . . 23 ASP HN . 27022 1 94 . 1 1 24 24 ASP C C 13 175.794 0.050 . 1 . . . . . 23 ASP C . 27022 1 95 . 1 1 24 24 ASP CA C 13 52.788 0.050 . 1 . . . . . 23 ASP CA . 27022 1 96 . 1 1 24 24 ASP CB C 13 39.657 0.050 . 1 . . . . . 23 ASP CB . 27022 1 97 . 1 1 24 24 ASP N N 15 121.444 0.050 . 1 . . . . . 23 ASP N . 27022 1 98 . 1 1 25 25 PHE H H 1 8.542 0.005 . 1 . . . . . 24 PHE HN . 27022 1 99 . 1 1 25 25 PHE C C 13 173.794 0.050 . 1 . . . . . 24 PHE C . 27022 1 100 . 1 1 25 25 PHE CA C 13 50.633 0.050 . 1 . . . . . 24 PHE CA . 27022 1 101 . 1 1 25 25 PHE CB C 13 35.532 0.050 . 1 . . . . . 24 PHE CB . 27022 1 102 . 1 1 25 25 PHE N N 15 122.240 0.050 . 1 . . . . . 24 PHE N . 27022 1 103 . 1 1 26 26 ASN H H 1 9.073 0.005 . 1 . . . . . 25 ASN HN . 27022 1 104 . 1 1 26 26 ASN C C 13 176.373 0.050 . 1 . . . . . 25 ASN C . 27022 1 105 . 1 1 26 26 ASN CA C 13 51.922 0.050 . 1 . . . . . 25 ASN CA . 27022 1 106 . 1 1 26 26 ASN CB C 13 35.367 0.050 . 1 . . . . . 25 ASN CB . 27022 1 107 . 1 1 26 26 ASN N N 15 119.378 0.050 . 1 . . . . . 25 ASN N . 27022 1 108 . 1 1 27 27 VAL H H 1 7.643 0.005 . 1 . . . . . 26 VAL HN . 27022 1 109 . 1 1 27 27 VAL C C 13 172.405 0.050 . 1 . . . . . 26 VAL C . 27022 1 110 . 1 1 27 27 VAL CA C 13 57.877 0.050 . 1 . . . . . 26 VAL CA . 27022 1 111 . 1 1 27 27 VAL CB C 13 29.388 0.050 . 1 . . . . . 26 VAL CB . 27022 1 112 . 1 1 27 27 VAL N N 15 120.245 0.050 . 1 . . . . . 26 VAL N . 27022 1 113 . 1 1 28 28 PRO C C 13 176.680 0.050 . 1 . . . . . 27 PRO C . 27022 1 114 . 1 1 28 28 PRO CA C 13 62.440 0.050 . 1 . . . . . 27 PRO CA . 27022 1 115 . 1 1 28 28 PRO CB C 13 29.924 0.050 . 1 . . . . . 27 PRO CB . 27022 1 116 . 1 1 29 29 MET H H 1 8.195 0.005 . 1 . . . . . 28 MET HN . 27022 1 117 . 1 1 29 29 MET C C 13 176.296 0.050 . 1 . . . . . 28 MET C . 27022 1 118 . 1 1 29 29 MET CA C 13 53.934 0.050 . 1 . . . . . 28 MET CA . 27022 1 119 . 1 1 29 29 MET CB C 13 37.871 0.050 . 1 . . . . . 28 MET CB . 27022 1 120 . 1 1 29 29 MET N N 15 119.468 0.050 . 1 . . . . . 28 MET N . 27022 1 121 . 1 1 30 30 LYS H H 1 8.793 0.005 . 1 . . . . . 29 LYS HN . 27022 1 122 . 1 1 30 30 LYS C C 13 176.514 0.050 . 1 . . . . . 29 LYS C . 27022 1 123 . 1 1 30 30 LYS CA C 13 55.498 0.050 . 1 . . . . . 29 LYS CA . 27022 1 124 . 1 1 30 30 LYS CB C 13 33.784 0.050 . 1 . . . . . 29 LYS CB . 27022 1 125 . 1 1 30 30 LYS N N 15 123.135 0.050 . 1 . . . . . 29 LYS N . 27022 1 126 . 1 1 32 32 ASN C C 13 172.919 0.050 . 1 . . . . . 31 ASN C . 27022 1 127 . 1 1 32 32 ASN CA C 13 54.582 0.050 . 1 . . . . . 31 ASN CA . 27022 1 128 . 1 1 32 32 ASN CB C 13 37.029 0.050 . 1 . . . . . 31 ASN CB . 27022 1 129 . 1 1 33 33 GLN H H 1 7.586 0.005 . 1 . . . . . 32 GLN HN . 27022 1 130 . 1 1 33 33 GLN C C 13 175.160 0.050 . 1 . . . . . 32 GLN C . 27022 1 131 . 1 1 33 33 GLN CA C 13 53.267 0.050 . 1 . . . . . 32 GLN CA . 27022 1 132 . 1 1 33 33 GLN CB C 13 29.660 0.050 . 1 . . . . . 32 GLN CB . 27022 1 133 . 1 1 33 33 GLN N N 15 116.792 0.050 . 1 . . . . . 32 GLN N . 27022 1 134 . 1 1 34 34 ILE H H 1 8.679 0.005 . 1 . . . . . 33 ILE HN . 27022 1 135 . 1 1 34 34 ILE C C 13 177.877 0.050 . 1 . . . . . 33 ILE C . 27022 1 136 . 1 1 34 34 ILE CA C 13 61.716 0.050 . 1 . . . . . 33 ILE CA . 27022 1 137 . 1 1 34 34 ILE CB C 13 37.896 0.050 . 1 . . . . . 33 ILE CB . 27022 1 138 . 1 1 34 34 ILE N N 15 125.258 0.050 . 1 . . . . . 33 ILE N . 27022 1 139 . 1 1 35 35 THR H H 1 8.707 0.005 . 1 . . . . . 34 THR HN . 27022 1 140 . 1 1 35 35 THR C C 13 175.454 0.050 . 1 . . . . . 34 THR C . 27022 1 141 . 1 1 35 35 THR CA C 13 62.246 0.050 . 1 . . . . . 34 THR CA . 27022 1 142 . 1 1 35 35 THR CB C 13 67.776 0.050 . 1 . . . . . 34 THR CB . 27022 1 143 . 1 1 35 35 THR N N 15 120.708 0.050 . 1 . . . . . 34 THR N . 27022 1 144 . 1 1 36 36 ASN H H 1 6.269 0.005 . 1 . . . . . 35 ASN HN . 27022 1 145 . 1 1 36 36 ASN C C 13 175.153 0.050 . 1 . . . . . 35 ASN C . 27022 1 146 . 1 1 36 36 ASN CA C 13 52.715 0.050 . 1 . . . . . 35 ASN CA . 27022 1 147 . 1 1 36 36 ASN CB C 13 39.775 0.050 . 1 . . . . . 35 ASN CB . 27022 1 148 . 1 1 36 36 ASN N N 15 115.870 0.050 . 1 . . . . . 35 ASN N . 27022 1 149 . 1 1 37 37 ASN H H 1 8.731 0.005 . 1 . . . . . 36 ASN HN . 27022 1 150 . 1 1 37 37 ASN C C 13 176.730 0.050 . 1 . . . . . 36 ASN C . 27022 1 151 . 1 1 37 37 ASN CA C 13 51.305 0.050 . 1 . . . . . 36 ASN CA . 27022 1 152 . 1 1 37 37 ASN CB C 13 37.032 0.050 . 1 . . . . . 36 ASN CB . 27022 1 153 . 1 1 37 37 ASN N N 15 126.181 0.050 . 1 . . . . . 36 ASN N . 27022 1 154 . 1 1 38 38 GLN H H 1 7.443 0.005 . 1 . . . . . 37 GLN HN . 27022 1 155 . 1 1 38 38 GLN C C 13 178.096 0.050 . 1 . . . . . 37 GLN C . 27022 1 156 . 1 1 38 38 GLN CA C 13 60.178 0.050 . 1 . . . . . 37 GLN CA . 27022 1 157 . 1 1 38 38 GLN CB C 13 26.550 0.050 . 1 . . . . . 37 GLN CB . 27022 1 158 . 1 1 38 38 GLN N N 15 124.121 0.050 . 1 . . . . . 37 GLN N . 27022 1 159 . 1 1 39 39 ARG H H 1 9.919 0.005 . 1 . . . . . 38 ARG HN . 27022 1 160 . 1 1 39 39 ARG C C 13 178.912 0.050 . 1 . . . . . 38 ARG C . 27022 1 161 . 1 1 39 39 ARG CA C 13 60.577 0.050 . 1 . . . . . 38 ARG CA . 27022 1 162 . 1 1 39 39 ARG CB C 13 28.816 0.050 . 1 . . . . . 38 ARG CB . 27022 1 163 . 1 1 39 39 ARG N N 15 118.178 0.050 . 1 . . . . . 38 ARG N . 27022 1 164 . 1 1 40 40 ILE H H 1 6.960 0.005 . 1 . . . . . 39 ILE HN . 27022 1 165 . 1 1 40 40 ILE C C 13 177.558 0.050 . 1 . . . . . 39 ILE C . 27022 1 166 . 1 1 40 40 ILE CA C 13 62.266 0.050 . 1 . . . . . 39 ILE CA . 27022 1 167 . 1 1 40 40 ILE CB C 13 37.648 0.050 . 1 . . . . . 39 ILE CB . 27022 1 168 . 1 1 40 40 ILE N N 15 115.036 0.050 . 1 . . . . . 39 ILE N . 27022 1 169 . 1 1 41 41 LYS H H 1 7.695 0.005 . 1 . . . . . 40 LYS HN . 27022 1 170 . 1 1 41 41 LYS C C 13 179.739 0.050 . 1 . . . . . 40 LYS C . 27022 1 171 . 1 1 41 41 LYS CA C 13 59.226 0.050 . 1 . . . . . 40 LYS CA . 27022 1 172 . 1 1 41 41 LYS CB C 13 31.438 0.050 . 1 . . . . . 40 LYS CB . 27022 1 173 . 1 1 41 41 LYS N N 15 117.280 0.050 . 1 . . . . . 40 LYS N . 27022 1 174 . 1 1 42 42 ALA H H 1 8.073 0.005 . 1 . . . . . 41 ALA HN . 27022 1 175 . 1 1 42 42 ALA C C 13 178.389 0.050 . 1 . . . . . 41 ALA C . 27022 1 176 . 1 1 42 42 ALA CA C 13 53.666 0.050 . 1 . . . . . 41 ALA CA . 27022 1 177 . 1 1 42 42 ALA CB C 13 19.304 0.050 . 1 . . . . . 41 ALA CB . 27022 1 178 . 1 1 42 42 ALA N N 15 118.480 0.050 . 1 . . . . . 41 ALA N . 27022 1 179 . 1 1 43 43 ALA H H 1 7.327 0.005 . 1 . . . . . 42 ALA HN . 27022 1 180 . 1 1 43 43 ALA C C 13 176.663 0.050 . 1 . . . . . 42 ALA C . 27022 1 181 . 1 1 43 43 ALA CA C 13 52.488 0.050 . 1 . . . . . 42 ALA CA . 27022 1 182 . 1 1 43 43 ALA CB C 13 19.459 0.050 . 1 . . . . . 42 ALA CB . 27022 1 183 . 1 1 43 43 ALA N N 15 119.097 0.050 . 1 . . . . . 42 ALA N . 27022 1 184 . 1 1 44 44 VAL H H 1 7.359 0.005 . 1 . . . . . 43 VAL HN . 27022 1 185 . 1 1 44 44 VAL C C 13 172.985 0.050 . 1 . . . . . 43 VAL C . 27022 1 186 . 1 1 44 44 VAL CA C 13 68.305 0.050 . 1 . . . . . 43 VAL CA . 27022 1 187 . 1 1 44 44 VAL CB C 13 32.853 0.050 . 1 . . . . . 43 VAL CB . 27022 1 188 . 1 1 44 44 VAL N N 15 118.099 0.050 . 1 . . . . . 43 VAL N . 27022 1 189 . 1 1 45 45 PRO C C 13 180.428 0.050 . 1 . . . . . 44 PRO C . 27022 1 190 . 1 1 45 45 PRO CA C 13 66.768 0.050 . 1 . . . . . 44 PRO CA . 27022 1 191 . 1 1 45 45 PRO CB C 13 29.866 0.050 . 1 . . . . . 44 PRO CB . 27022 1 192 . 1 1 46 46 SER H H 1 8.135 0.005 . 1 . . . . . 45 SER HN . 27022 1 193 . 1 1 46 46 SER C C 13 175.870 0.050 . 1 . . . . . 45 SER C . 27022 1 194 . 1 1 46 46 SER CA C 13 62.230 0.050 . 1 . . . . . 45 SER CA . 27022 1 195 . 1 1 46 46 SER CB C 13 63.281 0.050 . 1 . . . . . 45 SER CB . 27022 1 196 . 1 1 46 46 SER N N 15 115.902 0.050 . 1 . . . . . 45 SER N . 27022 1 197 . 1 1 47 47 ILE H H 1 7.682 0.005 . 1 . . . . . 46 ILE HN . 27022 1 198 . 1 1 47 47 ILE C C 13 177.827 0.050 . 1 . . . . . 46 ILE C . 27022 1 199 . 1 1 47 47 ILE CA C 13 66.455 0.050 . 1 . . . . . 46 ILE CA . 27022 1 200 . 1 1 47 47 ILE CB C 13 37.827 0.050 . 1 . . . . . 46 ILE CB . 27022 1 201 . 1 1 47 47 ILE N N 15 123.662 0.050 . 1 . . . . . 46 ILE N . 27022 1 202 . 1 1 48 48 LYS H H 1 9.209 0.005 . 1 . . . . . 47 LYS HN . 27022 1 203 . 1 1 48 48 LYS C C 13 177.683 0.050 . 1 . . . . . 47 LYS C . 27022 1 204 . 1 1 48 48 LYS CA C 13 59.261 0.050 . 1 . . . . . 47 LYS CA . 27022 1 205 . 1 1 48 48 LYS CB C 13 31.327 0.050 . 1 . . . . . 47 LYS CB . 27022 1 206 . 1 1 48 48 LYS N N 15 118.874 0.050 . 1 . . . . . 47 LYS N . 27022 1 207 . 1 1 49 49 PHE H H 1 8.091 0.005 . 1 . . . . . 48 PHE HN . 27022 1 208 . 1 1 49 49 PHE C C 13 178.998 0.050 . 1 . . . . . 48 PHE C . 27022 1 209 . 1 1 49 49 PHE CA C 13 61.343 0.050 . 1 . . . . . 48 PHE CA . 27022 1 210 . 1 1 49 49 PHE CB C 13 39.125 0.050 . 1 . . . . . 48 PHE CB . 27022 1 211 . 1 1 49 49 PHE N N 15 118.663 0.050 . 1 . . . . . 48 PHE N . 27022 1 212 . 1 1 50 50 CYS C C 13 176.104 0.050 . 1 . . . . . 49 CYS C . 27022 1 213 . 1 1 50 50 CYS CB C 13 28.205 0.050 . 1 . . . . . 49 CYS CB . 27022 1 214 . 1 1 51 51 LEU H H 1 7.759 0.005 . 1 . . . . . 50 LEU HN . 27022 1 215 . 1 1 51 51 LEU C C 13 181.013 0.050 . 1 . . . . . 50 LEU C . 27022 1 216 . 1 1 51 51 LEU CA C 13 57.337 0.050 . 1 . . . . . 50 LEU CA . 27022 1 217 . 1 1 51 51 LEU CB C 13 40.038 0.050 . 1 . . . . . 50 LEU CB . 27022 1 218 . 1 1 51 51 LEU N N 15 119.606 0.050 . 1 . . . . . 50 LEU N . 27022 1 219 . 1 1 52 52 ASP H H 1 9.211 0.005 . 1 . . . . . 51 ASP HN . 27022 1 220 . 1 1 52 52 ASP C C 13 177.341 0.050 . 1 . . . . . 51 ASP C . 27022 1 221 . 1 1 52 52 ASP CA C 13 56.361 0.050 . 1 . . . . . 51 ASP CA . 27022 1 222 . 1 1 52 52 ASP CB C 13 39.125 0.050 . 1 . . . . . 51 ASP CB . 27022 1 223 . 1 1 52 52 ASP N N 15 121.583 0.050 . 1 . . . . . 51 ASP N . 27022 1 224 . 1 1 53 53 ASN H H 1 7.079 0.005 . 1 . . . . . 52 ASN HN . 27022 1 225 . 1 1 53 53 ASN C C 13 174.257 0.050 . 1 . . . . . 52 ASN C . 27022 1 226 . 1 1 53 53 ASN CA C 13 53.357 0.050 . 1 . . . . . 52 ASN CA . 27022 1 227 . 1 1 53 53 ASN CB C 13 37.675 0.050 . 1 . . . . . 52 ASN CB . 27022 1 228 . 1 1 53 53 ASN N N 15 115.723 0.050 . 1 . . . . . 52 ASN N . 27022 1 229 . 1 1 54 54 GLY H H 1 7.310 0.005 . 1 . . . . . 53 GLY HN . 27022 1 230 . 1 1 54 54 GLY C C 13 176.492 0.050 . 1 . . . . . 53 GLY C . 27022 1 231 . 1 1 54 54 GLY CA C 13 46.306 0.050 . 1 . . . . . 53 GLY CA . 27022 1 232 . 1 1 54 54 GLY N N 15 103.545 0.050 . 1 . . . . . 53 GLY N . 27022 1 233 . 1 1 55 55 ALA H H 1 8.232 0.005 . 1 . . . . . 54 ALA HN . 27022 1 234 . 1 1 55 55 ALA C C 13 177.631 0.050 . 1 . . . . . 54 ALA C . 27022 1 235 . 1 1 55 55 ALA CA C 13 53.134 0.050 . 1 . . . . . 54 ALA CA . 27022 1 236 . 1 1 55 55 ALA CB C 13 17.288 0.050 . 1 . . . . . 54 ALA CB . 27022 1 237 . 1 1 55 55 ALA N N 15 125.428 0.050 . 1 . . . . . 54 ALA N . 27022 1 238 . 1 1 56 56 LYS H H 1 8.516 0.005 . 1 . . . . . 55 LYS HN . 27022 1 239 . 1 1 56 56 LYS C C 13 175.888 0.050 . 1 . . . . . 55 LYS C . 27022 1 240 . 1 1 56 56 LYS CA C 13 58.465 0.050 . 1 . . . . . 55 LYS CA . 27022 1 241 . 1 1 56 56 LYS CB C 13 32.129 0.050 . 1 . . . . . 55 LYS CB . 27022 1 242 . 1 1 56 56 LYS N N 15 124.092 0.050 . 1 . . . . . 55 LYS N . 27022 1 243 . 1 1 57 57 SER H H 1 7.289 0.005 . 1 . . . . . 56 SER HN . 27022 1 244 . 1 1 57 57 SER C C 13 173.383 0.050 . 1 . . . . . 56 SER C . 27022 1 245 . 1 1 57 57 SER CA C 13 55.527 0.050 . 1 . . . . . 56 SER CA . 27022 1 246 . 1 1 57 57 SER CB C 13 64.764 0.050 . 1 . . . . . 56 SER CB . 27022 1 247 . 1 1 57 57 SER N N 15 105.604 0.050 . 1 . . . . . 56 SER N . 27022 1 248 . 1 1 58 58 VAL H H 1 8.482 0.005 . 1 . . . . . 57 VAL HN . 27022 1 249 . 1 1 58 58 VAL C C 13 173.259 0.050 . 1 . . . . . 57 VAL C . 27022 1 250 . 1 1 58 58 VAL CA C 13 61.447 0.050 . 1 . . . . . 57 VAL CA . 27022 1 251 . 1 1 58 58 VAL CB C 13 33.396 0.050 . 1 . . . . . 57 VAL CB . 27022 1 252 . 1 1 58 58 VAL N N 15 119.899 0.050 . 1 . . . . . 57 VAL N . 27022 1 253 . 1 1 59 59 VAL H H 1 9.289 0.005 . 1 . . . . . 58 VAL HN . 27022 1 254 . 1 1 59 59 VAL C C 13 174.066 0.050 . 1 . . . . . 58 VAL C . 27022 1 255 . 1 1 59 59 VAL CA C 13 60.468 0.050 . 1 . . . . . 58 VAL CA . 27022 1 256 . 1 1 59 59 VAL CB C 13 31.818 0.050 . 1 . . . . . 58 VAL CB . 27022 1 257 . 1 1 59 59 VAL N N 15 129.017 0.050 . 1 . . . . . 58 VAL N . 27022 1 258 . 1 1 60 60 LEU H H 1 9.526 0.005 . 1 . . . . . 59 LEU HN . 27022 1 259 . 1 1 60 60 LEU C C 13 175.127 0.050 . 1 . . . . . 59 LEU C . 27022 1 260 . 1 1 60 60 LEU CA C 13 52.860 0.050 . 1 . . . . . 59 LEU CA . 27022 1 261 . 1 1 60 60 LEU CB C 13 44.021 0.050 . 1 . . . . . 59 LEU CB . 27022 1 262 . 1 1 60 60 LEU N N 15 127.689 0.050 . 1 . . . . . 59 LEU N . 27022 1 263 . 1 1 61 61 MET H H 1 8.020 0.005 . 1 . . . . . 60 MET HN . 27022 1 264 . 1 1 61 61 MET C C 13 173.987 0.050 . 1 . . . . . 60 MET C . 27022 1 265 . 1 1 61 61 MET CA C 13 52.099 0.050 . 1 . . . . . 60 MET CA . 27022 1 266 . 1 1 61 61 MET CB C 13 34.670 0.050 . 1 . . . . . 60 MET CB . 27022 1 267 . 1 1 61 61 MET N N 15 115.760 0.050 . 1 . . . . . 60 MET N . 27022 1 268 . 1 1 62 62 SER H H 1 9.955 0.005 . 1 . . . . . 61 SER HN . 27022 1 269 . 1 1 62 62 SER C C 13 172.900 0.050 . 1 . . . . . 61 SER C . 27022 1 270 . 1 1 62 62 SER CA C 13 56.184 0.050 . 1 . . . . . 61 SER CA . 27022 1 271 . 1 1 62 62 SER CB C 13 63.462 0.050 . 1 . . . . . 61 SER CB . 27022 1 272 . 1 1 62 62 SER N N 15 114.526 0.050 . 1 . . . . . 61 SER N . 27022 1 273 . 1 1 63 63 HIS H H 1 7.233 0.005 . 1 . . . . . 62 HIS HN . 27022 1 274 . 1 1 63 63 HIS C C 13 174.135 0.050 . 1 . . . . . 62 HIS C . 27022 1 275 . 1 1 63 63 HIS CA C 13 55.119 0.050 . 1 . . . . . 62 HIS CA . 27022 1 276 . 1 1 63 63 HIS CB C 13 33.976 0.050 . 1 . . . . . 62 HIS CB . 27022 1 277 . 1 1 63 63 HIS N N 15 118.213 0.050 . 1 . . . . . 62 HIS N . 27022 1 278 . 1 1 64 64 LEU H H 1 6.562 0.005 . 1 . . . . . 63 LEU HN . 27022 1 279 . 1 1 64 64 LEU C C 13 175.634 0.050 . 1 . . . . . 63 LEU C . 27022 1 280 . 1 1 64 64 LEU CA C 13 55.855 0.050 . 1 . . . . . 63 LEU CA . 27022 1 281 . 1 1 64 64 LEU CB C 13 42.900 0.050 . 1 . . . . . 63 LEU CB . 27022 1 282 . 1 1 64 64 LEU N N 15 120.197 0.050 . 1 . . . . . 63 LEU N . 27022 1 283 . 1 1 65 65 GLY H H 1 8.960 0.005 . 1 . . . . . 64 GLY HN . 27022 1 284 . 1 1 65 65 GLY C C 13 170.975 0.050 . 1 . . . . . 64 GLY C . 27022 1 285 . 1 1 65 65 GLY CA C 13 44.602 0.050 . 1 . . . . . 64 GLY CA . 27022 1 286 . 1 1 65 65 GLY N N 15 114.257 0.050 . 1 . . . . . 64 GLY N . 27022 1 287 . 1 1 66 66 ARG H H 1 7.050 0.005 . 1 . . . . . 65 ARG HN . 27022 1 288 . 1 1 66 66 ARG C C 13 173.345 0.050 . 1 . . . . . 65 ARG C . 27022 1 289 . 1 1 66 66 ARG CA C 13 53.636 0.050 . 1 . . . . . 65 ARG CA . 27022 1 290 . 1 1 66 66 ARG CB C 13 30.406 0.050 . 1 . . . . . 65 ARG CB . 27022 1 291 . 1 1 66 66 ARG N N 15 115.136 0.050 . 1 . . . . . 65 ARG N . 27022 1 292 . 1 1 67 67 PRO C C 13 176.434 0.050 . 1 . . . . . 66 PRO C . 27022 1 293 . 1 1 67 67 PRO CA C 13 63.311 0.050 . 1 . . . . . 66 PRO CA . 27022 1 294 . 1 1 67 67 PRO CB C 13 30.578 0.050 . 1 . . . . . 66 PRO CB . 27022 1 295 . 1 1 68 68 ASP H H 1 8.567 0.005 . 1 . . . . . 67 ASP HN . 27022 1 296 . 1 1 68 68 ASP C C 13 176.076 0.050 . 1 . . . . . 67 ASP C . 27022 1 297 . 1 1 68 68 ASP CA C 13 54.544 0.050 . 1 . . . . . 67 ASP CA . 27022 1 298 . 1 1 68 68 ASP CB C 13 38.748 0.050 . 1 . . . . . 67 ASP CB . 27022 1 299 . 1 1 68 68 ASP N N 15 115.602 0.050 . 1 . . . . . 67 ASP N . 27022 1 300 . 1 1 69 69 GLY H H 1 7.378 0.005 . 1 . . . . . 68 GLY HN . 27022 1 301 . 1 1 69 69 GLY C C 13 172.802 0.050 . 1 . . . . . 68 GLY C . 27022 1 302 . 1 1 69 69 GLY CA C 13 46.110 0.050 . 1 . . . . . 68 GLY CA . 27022 1 303 . 1 1 69 69 GLY N N 15 102.080 0.050 . 1 . . . . . 68 GLY N . 27022 1 304 . 1 1 70 70 VAL H H 1 6.952 0.005 . 1 . . . . . 69 VAL HN . 27022 1 305 . 1 1 70 70 VAL C C 13 173.657 0.050 . 1 . . . . . 69 VAL C . 27022 1 306 . 1 1 70 70 VAL CA C 13 57.479 0.050 . 1 . . . . . 69 VAL CA . 27022 1 307 . 1 1 70 70 VAL CB C 13 33.464 0.050 . 1 . . . . . 69 VAL CB . 27022 1 308 . 1 1 70 70 VAL N N 15 118.676 0.050 . 1 . . . . . 69 VAL N . 27022 1 309 . 1 1 71 71 PRO C C 13 176.920 0.050 . 1 . . . . . 70 PRO C . 27022 1 310 . 1 1 71 71 PRO CA C 13 67.723 0.050 . 1 . . . . . 70 PRO CA . 27022 1 311 . 1 1 71 71 PRO CB C 13 29.300 0.050 . 1 . . . . . 70 PRO CB . 27022 1 312 . 1 1 72 72 MET H H 1 7.392 0.005 . 1 . . . . . 71 MET HN . 27022 1 313 . 1 1 72 72 MET C C 13 176.921 0.050 . 1 . . . . . 71 MET C . 27022 1 314 . 1 1 72 72 MET CA C 13 55.877 0.050 . 1 . . . . . 71 MET CA . 27022 1 315 . 1 1 72 72 MET CB C 13 32.032 0.050 . 1 . . . . . 71 MET CB . 27022 1 316 . 1 1 72 72 MET N N 15 119.758 0.050 . 1 . . . . . 71 MET N . 27022 1 317 . 1 1 73 73 PRO C C 13 175.953 0.050 . 1 . . . . . 72 PRO C . 27022 1 318 . 1 1 73 73 PRO CA C 13 64.766 0.050 . 1 . . . . . 72 PRO CA . 27022 1 319 . 1 1 73 73 PRO CB C 13 30.656 0.050 . 1 . . . . . 72 PRO CB . 27022 1 320 . 1 1 74 74 ASP H H 1 8.621 0.005 . 1 . . . . . 73 ASP HN . 27022 1 321 . 1 1 74 74 ASP C C 13 176.168 0.050 . 1 . . . . . 73 ASP C . 27022 1 322 . 1 1 74 74 ASP CA C 13 55.105 0.050 . 1 . . . . . 73 ASP CA . 27022 1 323 . 1 1 74 74 ASP CB C 13 38.974 0.050 . 1 . . . . . 73 ASP CB . 27022 1 324 . 1 1 74 74 ASP N N 15 116.620 0.050 . 1 . . . . . 73 ASP N . 27022 1 325 . 1 1 75 75 LYS H H 1 7.105 0.005 . 1 . . . . . 74 LYS HN . 27022 1 326 . 1 1 75 75 LYS C C 13 176.514 0.050 . 1 . . . . . 74 LYS C . 27022 1 327 . 1 1 75 75 LYS CA C 13 56.395 0.050 . 1 . . . . . 74 LYS CA . 27022 1 328 . 1 1 75 75 LYS CB C 13 35.280 0.050 . 1 . . . . . 74 LYS CB . 27022 1 329 . 1 1 75 75 LYS N N 15 116.850 0.050 . 1 . . . . . 74 LYS N . 27022 1 330 . 1 1 76 76 TYR H H 1 8.005 0.005 . 1 . . . . . 75 TYR HN . 27022 1 331 . 1 1 76 76 TYR C C 13 175.213 0.050 . 1 . . . . . 75 TYR C . 27022 1 332 . 1 1 76 76 TYR CA C 13 55.273 0.050 . 1 . . . . . 75 TYR CA . 27022 1 333 . 1 1 76 76 TYR CB C 13 39.319 0.050 . 1 . . . . . 75 TYR CB . 27022 1 334 . 1 1 76 76 TYR N N 15 114.589 0.050 . 1 . . . . . 75 TYR N . 27022 1 335 . 1 1 77 77 SER H H 1 7.919 0.005 . 1 . . . . . 76 SER HN . 27022 1 336 . 1 1 77 77 SER C C 13 176.370 0.050 . 1 . . . . . 76 SER C . 27022 1 337 . 1 1 77 77 SER CA C 13 57.023 0.050 . 1 . . . . . 76 SER CA . 27022 1 338 . 1 1 77 77 SER CB C 13 63.684 0.050 . 1 . . . . . 76 SER CB . 27022 1 339 . 1 1 77 77 SER N N 15 114.448 0.050 . 1 . . . . . 76 SER N . 27022 1 340 . 1 1 78 78 LEU H H 1 10.277 0.005 . 1 . . . . . 77 LEU HN . 27022 1 341 . 1 1 78 78 LEU C C 13 177.334 0.050 . 1 . . . . . 77 LEU C . 27022 1 342 . 1 1 78 78 LEU CA C 13 54.730 0.050 . 1 . . . . . 77 LEU CA . 27022 1 343 . 1 1 78 78 LEU CB C 13 42.358 0.050 . 1 . . . . . 77 LEU CB . 27022 1 344 . 1 1 78 78 LEU N N 15 127.715 0.050 . 1 . . . . . 77 LEU N . 27022 1 345 . 1 1 79 79 GLU H H 1 7.992 0.005 . 1 . . . . . 78 GLU HN . 27022 1 346 . 1 1 79 79 GLU C C 13 174.416 0.050 . 1 . . . . . 78 GLU C . 27022 1 347 . 1 1 79 79 GLU CA C 13 61.275 0.050 . 1 . . . . . 78 GLU CA . 27022 1 348 . 1 1 79 79 GLU CB C 13 25.766 0.050 . 1 . . . . . 78 GLU CB . 27022 1 349 . 1 1 79 79 GLU N N 15 126.177 0.050 . 1 . . . . . 78 GLU N . 27022 1 350 . 1 1 80 80 PRO C C 13 180.234 0.050 . 1 . . . . . 79 PRO C . 27022 1 351 . 1 1 80 80 PRO CA C 13 65.326 0.050 . 1 . . . . . 79 PRO CA . 27022 1 352 . 1 1 80 80 PRO CB C 13 30.237 0.050 . 1 . . . . . 79 PRO CB . 27022 1 353 . 1 1 81 81 VAL H H 1 7.457 0.005 . 1 . . . . . 80 VAL HN . 27022 1 354 . 1 1 81 81 VAL C C 13 176.693 0.050 . 1 . . . . . 80 VAL C . 27022 1 355 . 1 1 81 81 VAL CA C 13 64.966 0.050 . 1 . . . . . 80 VAL CA . 27022 1 356 . 1 1 81 81 VAL CB C 13 29.041 0.050 . 1 . . . . . 80 VAL CB . 27022 1 357 . 1 1 81 81 VAL N N 15 118.019 0.050 . 1 . . . . . 80 VAL N . 27022 1 358 . 1 1 82 82 ALA H H 1 7.394 0.005 . 1 . . . . . 81 ALA HN . 27022 1 359 . 1 1 82 82 ALA C C 13 179.085 0.050 . 1 . . . . . 81 ALA C . 27022 1 360 . 1 1 82 82 ALA CA C 13 55.474 0.050 . 1 . . . . . 81 ALA CA . 27022 1 361 . 1 1 82 82 ALA CB C 13 16.791 0.050 . 1 . . . . . 81 ALA CB . 27022 1 362 . 1 1 82 82 ALA N N 15 123.666 0.050 . 1 . . . . . 81 ALA N . 27022 1 363 . 1 1 83 83 VAL H H 1 6.927 0.005 . 1 . . . . . 82 VAL HN . 27022 1 364 . 1 1 83 83 VAL C C 13 178.490 0.050 . 1 . . . . . 82 VAL C . 27022 1 365 . 1 1 83 83 VAL CA C 13 65.847 0.050 . 1 . . . . . 82 VAL CA . 27022 1 366 . 1 1 83 83 VAL CB C 13 31.084 0.050 . 1 . . . . . 82 VAL CB . 27022 1 367 . 1 1 83 83 VAL N N 15 117.025 0.050 . 1 . . . . . 82 VAL N . 27022 1 368 . 1 1 84 84 GLU H H 1 7.167 0.005 . 1 . . . . . 83 GLU HN . 27022 1 369 . 1 1 84 84 GLU C C 13 178.802 0.050 . 1 . . . . . 83 GLU C . 27022 1 370 . 1 1 84 84 GLU CA C 13 57.755 0.050 . 1 . . . . . 83 GLU CA . 27022 1 371 . 1 1 84 84 GLU CB C 13 28.617 0.050 . 1 . . . . . 83 GLU CB . 27022 1 372 . 1 1 84 84 GLU N N 15 122.020 0.050 . 1 . . . . . 83 GLU N . 27022 1 373 . 1 1 85 85 LEU H H 1 8.701 0.005 . 1 . . . . . 84 LEU HN . 27022 1 374 . 1 1 85 85 LEU C C 13 177.628 0.050 . 1 . . . . . 84 LEU C . 27022 1 375 . 1 1 85 85 LEU CA C 13 57.239 0.050 . 1 . . . . . 84 LEU CA . 27022 1 376 . 1 1 85 85 LEU CB C 13 40.779 0.050 . 1 . . . . . 84 LEU CB . 27022 1 377 . 1 1 85 85 LEU N N 15 119.763 0.050 . 1 . . . . . 84 LEU N . 27022 1 378 . 1 1 86 86 LYS H H 1 7.753 0.005 . 1 . . . . . 85 LYS HN . 27022 1 379 . 1 1 86 86 LYS C C 13 179.884 0.050 . 1 . . . . . 85 LYS C . 27022 1 380 . 1 1 86 86 LYS CA C 13 58.889 0.050 . 1 . . . . . 85 LYS CA . 27022 1 381 . 1 1 86 86 LYS CB C 13 31.383 0.050 . 1 . . . . . 85 LYS CB . 27022 1 382 . 1 1 86 86 LYS N N 15 120.356 0.050 . 1 . . . . . 85 LYS N . 27022 1 383 . 1 1 87 87 SER H H 1 7.149 0.005 . 1 . . . . . 86 SER HN . 27022 1 384 . 1 1 87 87 SER C C 13 176.744 0.050 . 1 . . . . . 86 SER C . 27022 1 385 . 1 1 87 87 SER CA C 13 60.413 0.050 . 1 . . . . . 86 SER CA . 27022 1 386 . 1 1 87 87 SER CB C 13 62.048 0.050 . 1 . . . . . 86 SER CB . 27022 1 387 . 1 1 87 87 SER N N 15 114.445 0.050 . 1 . . . . . 86 SER N . 27022 1 388 . 1 1 88 88 LEU H H 1 7.820 0.005 . 1 . . . . . 87 LEU HN . 27022 1 389 . 1 1 88 88 LEU C C 13 179.157 0.050 . 1 . . . . . 87 LEU C . 27022 1 390 . 1 1 88 88 LEU CA C 13 56.570 0.050 . 1 . . . . . 87 LEU CA . 27022 1 391 . 1 1 88 88 LEU CB C 13 41.933 0.050 . 1 . . . . . 87 LEU CB . 27022 1 392 . 1 1 88 88 LEU N N 15 120.459 0.050 . 1 . . . . . 87 LEU N . 27022 1 393 . 1 1 89 89 LEU H H 1 8.632 0.005 . 1 . . . . . 88 LEU HN . 27022 1 394 . 1 1 89 89 LEU C C 13 177.891 0.050 . 1 . . . . . 88 LEU C . 27022 1 395 . 1 1 89 89 LEU CA C 13 54.663 0.050 . 1 . . . . . 88 LEU CA . 27022 1 396 . 1 1 89 89 LEU CB C 13 42.864 0.050 . 1 . . . . . 88 LEU CB . 27022 1 397 . 1 1 89 89 LEU N N 15 115.645 0.050 . 1 . . . . . 88 LEU N . 27022 1 398 . 1 1 90 90 GLY H H 1 7.884 0.005 . 1 . . . . . 89 GLY HN . 27022 1 399 . 1 1 90 90 GLY C C 13 173.803 0.050 . 1 . . . . . 89 GLY C . 27022 1 400 . 1 1 90 90 GLY CA C 13 45.881 0.050 . 1 . . . . . 89 GLY CA . 27022 1 401 . 1 1 90 90 GLY N N 15 108.120 0.050 . 1 . . . . . 89 GLY N . 27022 1 402 . 1 1 91 91 LYS H H 1 7.019 0.005 . 1 . . . . . 90 LYS HN . 27022 1 403 . 1 1 91 91 LYS C C 13 173.288 0.050 . 1 . . . . . 90 LYS C . 27022 1 404 . 1 1 91 91 LYS CA C 13 53.330 0.050 . 1 . . . . . 90 LYS CA . 27022 1 405 . 1 1 91 91 LYS CB C 13 35.288 0.050 . 1 . . . . . 90 LYS CB . 27022 1 406 . 1 1 91 91 LYS N N 15 117.230 0.050 . 1 . . . . . 90 LYS N . 27022 1 407 . 1 1 92 92 ASP H H 1 7.991 0.005 . 1 . . . . . 91 ASP HN . 27022 1 408 . 1 1 92 92 ASP C C 13 175.048 0.050 . 1 . . . . . 91 ASP C . 27022 1 409 . 1 1 92 92 ASP CA C 13 55.062 0.050 . 1 . . . . . 91 ASP CA . 27022 1 410 . 1 1 92 92 ASP CB C 13 40.474 0.050 . 1 . . . . . 91 ASP CB . 27022 1 411 . 1 1 92 92 ASP N N 15 118.542 0.050 . 1 . . . . . 91 ASP N . 27022 1 412 . 1 1 93 93 VAL H H 1 7.406 0.005 . 1 . . . . . 92 VAL HN . 27022 1 413 . 1 1 93 93 VAL C C 13 175.070 0.050 . 1 . . . . . 92 VAL C . 27022 1 414 . 1 1 93 93 VAL CA C 13 60.374 0.050 . 1 . . . . . 92 VAL CA . 27022 1 415 . 1 1 93 93 VAL CB C 13 34.480 0.050 . 1 . . . . . 92 VAL CB . 27022 1 416 . 1 1 93 93 VAL N N 15 120.938 0.050 . 1 . . . . . 92 VAL N . 27022 1 417 . 1 1 94 94 LEU H H 1 8.631 0.005 . 1 . . . . . 93 LEU HN . 27022 1 418 . 1 1 94 94 LEU C C 13 173.812 0.050 . 1 . . . . . 93 LEU C . 27022 1 419 . 1 1 94 94 LEU CA C 13 53.950 0.050 . 1 . . . . . 93 LEU CA . 27022 1 420 . 1 1 94 94 LEU CB C 13 41.573 0.050 . 1 . . . . . 93 LEU CB . 27022 1 421 . 1 1 94 94 LEU N N 15 130.940 0.050 . 1 . . . . . 93 LEU N . 27022 1 422 . 1 1 95 95 PHE H H 1 8.523 0.005 . 1 . . . . . 94 PHE HN . 27022 1 423 . 1 1 95 95 PHE C C 13 174.683 0.050 . 1 . . . . . 94 PHE C . 27022 1 424 . 1 1 95 95 PHE CA C 13 55.696 0.050 . 1 . . . . . 94 PHE CA . 27022 1 425 . 1 1 95 95 PHE CB C 13 39.936 0.050 . 1 . . . . . 94 PHE CB . 27022 1 426 . 1 1 95 95 PHE N N 15 128.031 0.050 . 1 . . . . . 94 PHE N . 27022 1 427 . 1 1 96 96 LEU H H 1 7.815 0.005 . 1 . . . . . 95 LEU HN . 27022 1 428 . 1 1 96 96 LEU C C 13 174.335 0.050 . 1 . . . . . 95 LEU C . 27022 1 429 . 1 1 96 96 LEU CA C 13 52.105 0.050 . 1 . . . . . 95 LEU CA . 27022 1 430 . 1 1 96 96 LEU CB C 13 42.003 0.050 . 1 . . . . . 95 LEU CB . 27022 1 431 . 1 1 96 96 LEU N N 15 128.968 0.050 . 1 . . . . . 95 LEU N . 27022 1 432 . 1 1 97 97 LYS H H 1 7.696 0.005 . 1 . . . . . 96 LYS HN . 27022 1 433 . 1 1 97 97 LYS C C 13 175.353 0.050 . 1 . . . . . 96 LYS C . 27022 1 434 . 1 1 97 97 LYS CA C 13 56.694 0.050 . 1 . . . . . 96 LYS CA . 27022 1 435 . 1 1 97 97 LYS CB C 13 30.745 0.050 . 1 . . . . . 96 LYS CB . 27022 1 436 . 1 1 97 97 LYS N N 15 114.123 0.050 . 1 . . . . . 96 LYS N . 27022 1 437 . 1 1 98 98 ASP H H 1 7.313 0.005 . 1 . . . . . 97 ASP HN . 27022 1 438 . 1 1 98 98 ASP C C 13 173.376 0.050 . 1 . . . . . 97 ASP C . 27022 1 439 . 1 1 98 98 ASP CA C 13 51.474 0.050 . 1 . . . . . 97 ASP CA . 27022 1 440 . 1 1 98 98 ASP CB C 13 43.592 0.050 . 1 . . . . . 97 ASP CB . 27022 1 441 . 1 1 98 98 ASP N N 15 119.146 0.050 . 1 . . . . . 97 ASP N . 27022 1 442 . 1 1 99 99 CYS H H 1 10.637 0.005 . 1 . . . . . 98 CYS HN . 27022 1 443 . 1 1 99 99 CYS C C 13 170.313 0.050 . 1 . . . . . 98 CYS C . 27022 1 444 . 1 1 99 99 CYS CA C 13 55.598 0.050 . 1 . . . . . 98 CYS CA . 27022 1 445 . 1 1 99 99 CYS CB C 13 30.618 0.050 . 1 . . . . . 98 CYS CB . 27022 1 446 . 1 1 99 99 CYS N N 15 114.399 0.050 . 1 . . . . . 98 CYS N . 27022 1 447 . 1 1 100 100 VAL H H 1 6.796 0.005 . 1 . . . . . 99 VAL HN . 27022 1 448 . 1 1 100 100 VAL C C 13 176.222 0.050 . 1 . . . . . 99 VAL C . 27022 1 449 . 1 1 100 100 VAL CA C 13 58.788 0.050 . 1 . . . . . 99 VAL CA . 27022 1 450 . 1 1 100 100 VAL CB C 13 36.560 0.050 . 1 . . . . . 99 VAL CB . 27022 1 451 . 1 1 100 100 VAL N N 15 109.738 0.050 . 1 . . . . . 99 VAL N . 27022 1 452 . 1 1 101 101 GLY H H 1 8.016 0.005 . 1 . . . . . 100 GLY HN . 27022 1 453 . 1 1 101 101 GLY C C 13 172.626 0.050 . 1 . . . . . 100 GLY C . 27022 1 454 . 1 1 101 101 GLY CA C 13 44.003 0.050 . 1 . . . . . 100 GLY CA . 27022 1 455 . 1 1 101 101 GLY N N 15 107.683 0.050 . 1 . . . . . 100 GLY N . 27022 1 456 . 1 1 102 102 PRO C C 13 179.507 0.050 . 1 . . . . . 101 PRO C . 27022 1 457 . 1 1 102 102 PRO CA C 13 65.119 0.050 . 1 . . . . . 101 PRO CA . 27022 1 458 . 1 1 102 102 PRO CB C 13 31.184 0.050 . 1 . . . . . 101 PRO CB . 27022 1 459 . 1 1 103 103 GLU H H 1 8.112 0.005 . 1 . . . . . 102 GLU HN . 27022 1 460 . 1 1 103 103 GLU C C 13 179.751 0.050 . 1 . . . . . 102 GLU C . 27022 1 461 . 1 1 103 103 GLU CA C 13 59.114 0.050 . 1 . . . . . 102 GLU CA . 27022 1 462 . 1 1 103 103 GLU CB C 13 27.990 0.050 . 1 . . . . . 102 GLU CB . 27022 1 463 . 1 1 103 103 GLU N N 15 118.179 0.050 . 1 . . . . . 102 GLU N . 27022 1 464 . 1 1 104 104 VAL H H 1 7.524 0.005 . 1 . . . . . 103 VAL HN . 27022 1 465 . 1 1 104 104 VAL C C 13 177.908 0.050 . 1 . . . . . 103 VAL C . 27022 1 466 . 1 1 104 104 VAL CA C 13 65.603 0.050 . 1 . . . . . 103 VAL CA . 27022 1 467 . 1 1 104 104 VAL CB C 13 30.944 0.050 . 1 . . . . . 103 VAL CB . 27022 1 468 . 1 1 104 104 VAL N N 15 123.568 0.050 . 1 . . . . . 103 VAL N . 27022 1 469 . 1 1 105 105 GLU H H 1 8.262 0.005 . 1 . . . . . 104 GLU HN . 27022 1 470 . 1 1 105 105 GLU C C 13 179.852 0.050 . 1 . . . . . 104 GLU C . 27022 1 471 . 1 1 105 105 GLU CA C 13 58.992 0.050 . 1 . . . . . 104 GLU CA . 27022 1 472 . 1 1 105 105 GLU CB C 13 28.093 0.050 . 1 . . . . . 104 GLU CB . 27022 1 473 . 1 1 105 105 GLU N N 15 118.564 0.050 . 1 . . . . . 104 GLU N . 27022 1 474 . 1 1 106 106 LYS H H 1 7.741 0.005 . 1 . . . . . 105 LYS HN . 27022 1 475 . 1 1 106 106 LYS C C 13 178.980 0.050 . 1 . . . . . 105 LYS C . 27022 1 476 . 1 1 106 106 LYS CA C 13 58.855 0.050 . 1 . . . . . 105 LYS CA . 27022 1 477 . 1 1 106 106 LYS CB C 13 31.237 0.050 . 1 . . . . . 105 LYS CB . 27022 1 478 . 1 1 106 106 LYS N N 15 118.195 0.050 . 1 . . . . . 105 LYS N . 27022 1 479 . 1 1 107 107 ALA H H 1 7.444 0.005 . 1 . . . . . 106 ALA HN . 27022 1 480 . 1 1 107 107 ALA C C 13 179.086 0.050 . 1 . . . . . 106 ALA C . 27022 1 481 . 1 1 107 107 ALA CA C 13 54.183 0.050 . 1 . . . . . 106 ALA CA . 27022 1 482 . 1 1 107 107 ALA CB C 13 18.200 0.050 . 1 . . . . . 106 ALA CB . 27022 1 483 . 1 1 107 107 ALA N N 15 121.496 0.050 . 1 . . . . . 106 ALA N . 27022 1 484 . 1 1 108 108 CYS H H 1 7.292 0.005 . 1 . . . . . 107 CYS HN . 27022 1 485 . 1 1 108 108 CYS C C 13 176.741 0.050 . 1 . . . . . 107 CYS C . 27022 1 486 . 1 1 108 108 CYS CA C 13 59.353 0.050 . 1 . . . . . 107 CYS CA . 27022 1 487 . 1 1 108 108 CYS CB C 13 28.402 0.050 . 1 . . . . . 107 CYS CB . 27022 1 488 . 1 1 108 108 CYS N N 15 110.149 0.050 . 1 . . . . . 107 CYS N . 27022 1 489 . 1 1 109 109 ALA H H 1 7.368 0.005 . 1 . . . . . 108 ALA HN . 27022 1 490 . 1 1 109 109 ALA C C 13 177.789 0.050 . 1 . . . . . 108 ALA C . 27022 1 491 . 1 1 109 109 ALA CA C 13 55.513 0.050 . 1 . . . . . 108 ALA CA . 27022 1 492 . 1 1 109 109 ALA CB C 13 17.695 0.050 . 1 . . . . . 108 ALA CB . 27022 1 493 . 1 1 109 109 ALA N N 15 127.187 0.050 . 1 . . . . . 108 ALA N . 27022 1 494 . 1 1 110 110 ASN H H 1 8.429 0.005 . 1 . . . . . 109 ASN HN . 27022 1 495 . 1 1 110 110 ASN C C 13 170.396 0.050 . 1 . . . . . 109 ASN C . 27022 1 496 . 1 1 110 110 ASN CA C 13 51.201 0.050 . 1 . . . . . 109 ASN CA . 27022 1 497 . 1 1 110 110 ASN CB C 13 37.261 0.050 . 1 . . . . . 109 ASN CB . 27022 1 498 . 1 1 110 110 ASN N N 15 113.356 0.050 . 1 . . . . . 109 ASN N . 27022 1 499 . 1 1 111 111 PRO C C 13 175.032 0.050 . 1 . . . . . 110 PRO C . 27022 1 500 . 1 1 111 111 PRO CA C 13 61.628 0.050 . 1 . . . . . 110 PRO CA . 27022 1 501 . 1 1 111 111 PRO CB C 13 31.331 0.050 . 1 . . . . . 110 PRO CB . 27022 1 502 . 1 1 112 112 ALA H H 1 8.102 0.005 . 1 . . . . . 111 ALA HN . 27022 1 503 . 1 1 112 112 ALA C C 13 178.461 0.050 . 1 . . . . . 111 ALA C . 27022 1 504 . 1 1 112 112 ALA CA C 13 51.584 0.050 . 1 . . . . . 111 ALA CA . 27022 1 505 . 1 1 112 112 ALA CB C 13 17.440 0.050 . 1 . . . . . 111 ALA CB . 27022 1 506 . 1 1 112 112 ALA N N 15 121.989 0.050 . 1 . . . . . 111 ALA N . 27022 1 507 . 1 1 113 113 ALA H H 1 8.366 0.005 . 1 . . . . . 112 ALA HN . 27022 1 508 . 1 1 113 113 ALA C C 13 179.362 0.050 . 1 . . . . . 112 ALA C . 27022 1 509 . 1 1 113 113 ALA CA C 13 53.154 0.050 . 1 . . . . . 112 ALA CA . 27022 1 510 . 1 1 113 113 ALA CB C 13 17.084 0.050 . 1 . . . . . 112 ALA CB . 27022 1 511 . 1 1 113 113 ALA N N 15 125.090 0.050 . 1 . . . . . 112 ALA N . 27022 1 512 . 1 1 114 114 GLY H H 1 8.552 0.005 . 1 . . . . . 113 GLY HN . 27022 1 513 . 1 1 114 114 GLY C C 13 173.687 0.050 . 1 . . . . . 113 GLY C . 27022 1 514 . 1 1 114 114 GLY CA C 13 44.797 0.050 . 1 . . . . . 113 GLY CA . 27022 1 515 . 1 1 114 114 GLY N N 15 112.063 0.050 . 1 . . . . . 113 GLY N . 27022 1 516 . 1 1 115 115 SER H H 1 7.573 0.005 . 1 . . . . . 114 SER HN . 27022 1 517 . 1 1 115 115 SER C C 13 172.112 0.050 . 1 . . . . . 114 SER C . 27022 1 518 . 1 1 115 115 SER CA C 13 60.730 0.050 . 1 . . . . . 114 SER CA . 27022 1 519 . 1 1 115 115 SER CB C 13 64.031 0.050 . 1 . . . . . 114 SER CB . 27022 1 520 . 1 1 115 115 SER N N 15 116.642 0.050 . 1 . . . . . 114 SER N . 27022 1 521 . 1 1 116 116 VAL H H 1 8.497 0.005 . 1 . . . . . 115 VAL HN . 27022 1 522 . 1 1 116 116 VAL C C 13 174.331 0.050 . 1 . . . . . 115 VAL C . 27022 1 523 . 1 1 116 116 VAL CA C 13 61.169 0.050 . 1 . . . . . 115 VAL CA . 27022 1 524 . 1 1 116 116 VAL CB C 13 31.349 0.050 . 1 . . . . . 115 VAL CB . 27022 1 525 . 1 1 116 116 VAL N N 15 123.801 0.050 . 1 . . . . . 115 VAL N . 27022 1 526 . 1 1 117 117 ILE H H 1 9.082 0.005 . 1 . . . . . 116 ILE HN . 27022 1 527 . 1 1 117 117 ILE C C 13 173.285 0.050 . 1 . . . . . 116 ILE C . 27022 1 528 . 1 1 117 117 ILE CA C 13 59.279 0.050 . 1 . . . . . 116 ILE CA . 27022 1 529 . 1 1 117 117 ILE CB C 13 41.469 0.050 . 1 . . . . . 116 ILE CB . 27022 1 530 . 1 1 117 117 ILE N N 15 130.778 0.050 . 1 . . . . . 116 ILE N . 27022 1 531 . 1 1 118 118 LEU H H 1 9.209 0.005 . 1 . . . . . 117 LEU HN . 27022 1 532 . 1 1 118 118 LEU C C 13 173.324 0.050 . 1 . . . . . 117 LEU C . 27022 1 533 . 1 1 118 118 LEU CA C 13 52.857 0.050 . 1 . . . . . 117 LEU CA . 27022 1 534 . 1 1 118 118 LEU CB C 13 44.571 0.050 . 1 . . . . . 117 LEU CB . 27022 1 535 . 1 1 118 118 LEU N N 15 128.977 0.050 . 1 . . . . . 117 LEU N . 27022 1 536 . 1 1 119 119 LEU H H 1 7.865 0.005 . 1 . . . . . 118 LEU HN . 27022 1 537 . 1 1 119 119 LEU C C 13 177.083 0.050 . 1 . . . . . 118 LEU C . 27022 1 538 . 1 1 119 119 LEU CA C 13 53.034 0.050 . 1 . . . . . 118 LEU CA . 27022 1 539 . 1 1 119 119 LEU CB C 13 40.736 0.050 . 1 . . . . . 118 LEU CB . 27022 1 540 . 1 1 119 119 LEU N N 15 123.190 0.050 . 1 . . . . . 118 LEU N . 27022 1 541 . 1 1 120 120 GLU H H 1 5.890 0.005 . 1 . . . . . 119 GLU HN . 27022 1 542 . 1 1 120 120 GLU C C 13 173.795 0.050 . 1 . . . . . 119 GLU C . 27022 1 543 . 1 1 120 120 GLU CA C 13 54.305 0.050 . 1 . . . . . 119 GLU CA . 27022 1 544 . 1 1 120 120 GLU CB C 13 27.667 0.050 . 1 . . . . . 119 GLU CB . 27022 1 545 . 1 1 120 120 GLU N N 15 119.937 0.050 . 1 . . . . . 119 GLU N . 27022 1 546 . 1 1 121 121 ASN H H 1 10.024 0.005 . 1 . . . . . 120 ASN HN . 27022 1 547 . 1 1 121 121 ASN C C 13 177.770 0.050 . 1 . . . . . 120 ASN C . 27022 1 548 . 1 1 121 121 ASN CA C 13 53.175 0.050 . 1 . . . . . 120 ASN CA . 27022 1 549 . 1 1 121 121 ASN CB C 13 37.992 0.050 . 1 . . . . . 120 ASN CB . 27022 1 550 . 1 1 121 121 ASN N N 15 121.989 0.050 . 1 . . . . . 120 ASN N . 27022 1 551 . 1 1 122 122 LEU H H 1 8.271 0.005 . 1 . . . . . 121 LEU HN . 27022 1 552 . 1 1 122 122 LEU C C 13 178.422 0.050 . 1 . . . . . 121 LEU C . 27022 1 553 . 1 1 122 122 LEU CA C 13 57.522 0.050 . 1 . . . . . 121 LEU CA . 27022 1 554 . 1 1 122 122 LEU CB C 13 45.277 0.050 . 1 . . . . . 121 LEU CB . 27022 1 555 . 1 1 122 122 LEU N N 15 130.277 0.050 . 1 . . . . . 121 LEU N . 27022 1 556 . 1 1 123 123 ARG H H 1 7.797 0.005 . 1 . . . . . 122 ARG HN . 27022 1 557 . 1 1 123 123 ARG C C 13 175.385 0.050 . 1 . . . . . 122 ARG C . 27022 1 558 . 1 1 123 123 ARG CA C 13 56.791 0.050 . 1 . . . . . 122 ARG CA . 27022 1 559 . 1 1 123 123 ARG CB C 13 29.340 0.050 . 1 . . . . . 122 ARG CB . 27022 1 560 . 1 1 123 123 ARG N N 15 108.131 0.050 . 1 . . . . . 122 ARG N . 27022 1 561 . 1 1 124 124 PHE H H 1 7.149 0.005 . 1 . . . . . 123 PHE HN . 27022 1 562 . 1 1 124 124 PHE C C 13 173.405 0.050 . 1 . . . . . 123 PHE C . 27022 1 563 . 1 1 124 124 PHE CA C 13 53.901 0.050 . 1 . . . . . 123 PHE CA . 27022 1 564 . 1 1 124 124 PHE CB C 13 35.273 0.050 . 1 . . . . . 123 PHE CB . 27022 1 565 . 1 1 124 124 PHE N N 15 116.398 0.050 . 1 . . . . . 123 PHE N . 27022 1 566 . 1 1 125 125 HIS H H 1 7.444 0.005 . 1 . . . . . 124 HIS HN . 27022 1 567 . 1 1 125 125 HIS C C 13 176.343 0.050 . 1 . . . . . 124 HIS C . 27022 1 568 . 1 1 125 125 HIS CA C 13 53.505 0.050 . 1 . . . . . 124 HIS CA . 27022 1 569 . 1 1 125 125 HIS CB C 13 30.365 0.050 . 1 . . . . . 124 HIS CB . 27022 1 570 . 1 1 125 125 HIS N N 15 115.711 0.050 . 1 . . . . . 124 HIS N . 27022 1 571 . 1 1 126 126 VAL H H 1 9.096 0.005 . 1 . . . . . 125 VAL HN . 27022 1 572 . 1 1 126 126 VAL C C 13 174.520 0.050 . 1 . . . . . 125 VAL C . 27022 1 573 . 1 1 126 126 VAL CA C 13 63.570 0.050 . 1 . . . . . 125 VAL CA . 27022 1 574 . 1 1 126 126 VAL CB C 13 30.745 0.050 . 1 . . . . . 125 VAL CB . 27022 1 575 . 1 1 126 126 VAL N N 15 128.315 0.050 . 1 . . . . . 125 VAL N . 27022 1 576 . 1 1 127 127 GLU H H 1 9.194 0.005 . 1 . . . . . 126 GLU HN . 27022 1 577 . 1 1 127 127 GLU C C 13 175.409 0.050 . 1 . . . . . 126 GLU C . 27022 1 578 . 1 1 127 127 GLU CA C 13 59.224 0.050 . 1 . . . . . 126 GLU CA . 27022 1 579 . 1 1 127 127 GLU CB C 13 28.530 0.050 . 1 . . . . . 126 GLU CB . 27022 1 580 . 1 1 127 127 GLU N N 15 117.922 0.050 . 1 . . . . . 126 GLU N . 27022 1 581 . 1 1 128 128 GLU H H 1 6.509 0.005 . 1 . . . . . 127 GLU HN . 27022 1 582 . 1 1 128 128 GLU C C 13 176.490 0.050 . 1 . . . . . 127 GLU C . 27022 1 583 . 1 1 128 128 GLU CA C 13 57.904 0.050 . 1 . . . . . 127 GLU CA . 27022 1 584 . 1 1 128 128 GLU CB C 13 25.712 0.050 . 1 . . . . . 127 GLU CB . 27022 1 585 . 1 1 128 128 GLU N N 15 121.310 0.050 . 1 . . . . . 127 GLU N . 27022 1 586 . 1 1 129 129 GLU H H 1 9.151 0.005 . 1 . . . . . 128 GLU HN . 27022 1 587 . 1 1 129 129 GLU C C 13 177.701 0.050 . 1 . . . . . 128 GLU C . 27022 1 588 . 1 1 129 129 GLU CA C 13 57.615 0.050 . 1 . . . . . 128 GLU CA . 27022 1 589 . 1 1 129 129 GLU CB C 13 30.111 0.050 . 1 . . . . . 128 GLU CB . 27022 1 590 . 1 1 129 129 GLU N N 15 118.649 0.050 . 1 . . . . . 128 GLU N . 27022 1 591 . 1 1 130 130 GLY H H 1 8.104 0.005 . 1 . . . . . 129 GLY HN . 27022 1 592 . 1 1 130 130 GLY C C 13 172.337 0.050 . 1 . . . . . 129 GLY C . 27022 1 593 . 1 1 130 130 GLY CA C 13 44.911 0.050 . 1 . . . . . 129 GLY CA . 27022 1 594 . 1 1 130 130 GLY N N 15 106.006 0.050 . 1 . . . . . 129 GLY N . 27022 1 595 . 1 1 131 131 LYS H H 1 7.364 0.005 . 1 . . . . . 130 LYS HN . 27022 1 596 . 1 1 131 131 LYS C C 13 173.037 0.050 . 1 . . . . . 130 LYS C . 27022 1 597 . 1 1 131 131 LYS CA C 13 53.754 0.050 . 1 . . . . . 130 LYS CA . 27022 1 598 . 1 1 131 131 LYS CB C 13 32.850 0.050 . 1 . . . . . 130 LYS CB . 27022 1 599 . 1 1 131 131 LYS N N 15 117.774 0.050 . 1 . . . . . 130 LYS N . 27022 1 600 . 1 1 132 132 GLY H H 1 8.101 0.005 . 1 . . . . . 131 GLY HN . 27022 1 601 . 1 1 132 132 GLY C C 13 172.171 0.050 . 1 . . . . . 131 GLY C . 27022 1 602 . 1 1 132 132 GLY CA C 13 45.231 0.050 . 1 . . . . . 131 GLY CA . 27022 1 603 . 1 1 132 132 GLY N N 15 106.915 0.050 . 1 . . . . . 131 GLY N . 27022 1 604 . 1 1 133 133 LYS H H 1 8.870 0.005 . 1 . . . . . 132 LYS HN . 27022 1 605 . 1 1 133 133 LYS C C 13 175.395 0.050 . 1 . . . . . 132 LYS C . 27022 1 606 . 1 1 133 133 LYS CA C 13 54.251 0.050 . 1 . . . . . 132 LYS CA . 27022 1 607 . 1 1 133 133 LYS CB C 13 35.956 0.050 . 1 . . . . . 132 LYS CB . 27022 1 608 . 1 1 133 133 LYS N N 15 125.207 0.050 . 1 . . . . . 132 LYS N . 27022 1 609 . 1 1 134 134 ASP H H 1 8.265 0.005 . 1 . . . . . 133 ASP HN . 27022 1 610 . 1 1 134 134 ASP C C 13 178.357 0.050 . 1 . . . . . 133 ASP C . 27022 1 611 . 1 1 134 134 ASP CA C 13 51.239 0.050 . 1 . . . . . 133 ASP CA . 27022 1 612 . 1 1 134 134 ASP CB C 13 40.871 0.050 . 1 . . . . . 133 ASP CB . 27022 1 613 . 1 1 134 134 ASP N N 15 119.657 0.050 . 1 . . . . . 133 ASP N . 27022 1 614 . 1 1 135 135 ALA H H 1 8.306 0.005 . 1 . . . . . 134 ALA HN . 27022 1 615 . 1 1 135 135 ALA C C 13 178.863 0.050 . 1 . . . . . 134 ALA C . 27022 1 616 . 1 1 135 135 ALA CA C 13 54.074 0.050 . 1 . . . . . 134 ALA CA . 27022 1 617 . 1 1 135 135 ALA CB C 13 17.418 0.050 . 1 . . . . . 134 ALA CB . 27022 1 618 . 1 1 135 135 ALA N N 15 120.128 0.050 . 1 . . . . . 134 ALA N . 27022 1 619 . 1 1 136 136 SER H H 1 7.888 0.005 . 1 . . . . . 135 SER HN . 27022 1 620 . 1 1 136 136 SER C C 13 174.138 0.050 . 1 . . . . . 135 SER C . 27022 1 621 . 1 1 136 136 SER CA C 13 58.031 0.050 . 1 . . . . . 135 SER CA . 27022 1 622 . 1 1 136 136 SER CB C 13 63.205 0.050 . 1 . . . . . 135 SER CB . 27022 1 623 . 1 1 136 136 SER N N 15 113.064 0.050 . 1 . . . . . 135 SER N . 27022 1 624 . 1 1 137 137 GLY H H 1 7.985 0.005 . 1 . . . . . 136 GLY HN . 27022 1 625 . 1 1 137 137 GLY C C 13 174.088 0.050 . 1 . . . . . 136 GLY C . 27022 1 626 . 1 1 137 137 GLY CA C 13 44.672 0.050 . 1 . . . . . 136 GLY CA . 27022 1 627 . 1 1 137 137 GLY N N 15 109.459 0.050 . 1 . . . . . 136 GLY N . 27022 1 628 . 1 1 138 138 ASN H H 1 8.337 0.005 . 1 . . . . . 137 ASN HN . 27022 1 629 . 1 1 138 138 ASN C C 13 174.840 0.050 . 1 . . . . . 137 ASN C . 27022 1 630 . 1 1 138 138 ASN CA C 13 52.420 0.050 . 1 . . . . . 137 ASN CA . 27022 1 631 . 1 1 138 138 ASN CB C 13 38.252 0.050 . 1 . . . . . 137 ASN CB . 27022 1 632 . 1 1 138 138 ASN N N 15 120.677 0.050 . 1 . . . . . 137 ASN N . 27022 1 633 . 1 1 139 139 LYS H H 1 8.441 0.005 . 1 . . . . . 138 LYS HN . 27022 1 634 . 1 1 139 139 LYS C C 13 176.637 0.050 . 1 . . . . . 138 LYS C . 27022 1 635 . 1 1 139 139 LYS CA C 13 56.878 0.050 . 1 . . . . . 138 LYS CA . 27022 1 636 . 1 1 139 139 LYS CB C 13 31.471 0.050 . 1 . . . . . 138 LYS CB . 27022 1 637 . 1 1 139 139 LYS N N 15 121.606 0.050 . 1 . . . . . 138 LYS N . 27022 1 638 . 1 1 140 140 VAL H H 1 8.254 0.005 . 1 . . . . . 139 VAL HN . 27022 1 639 . 1 1 140 140 VAL C C 13 174.470 0.050 . 1 . . . . . 139 VAL C . 27022 1 640 . 1 1 140 140 VAL CA C 13 59.370 0.050 . 1 . . . . . 139 VAL CA . 27022 1 641 . 1 1 140 140 VAL CB C 13 34.754 0.050 . 1 . . . . . 139 VAL CB . 27022 1 642 . 1 1 140 140 VAL N N 15 120.272 0.050 . 1 . . . . . 139 VAL N . 27022 1 643 . 1 1 141 141 LYS H H 1 8.320 0.005 . 1 . . . . . 140 LYS HN . 27022 1 644 . 1 1 141 141 LYS C C 13 176.124 0.050 . 1 . . . . . 140 LYS C . 27022 1 645 . 1 1 141 141 LYS CA C 13 54.433 0.050 . 1 . . . . . 140 LYS CA . 27022 1 646 . 1 1 141 141 LYS CB C 13 33.242 0.050 . 1 . . . . . 140 LYS CB . 27022 1 647 . 1 1 141 141 LYS N N 15 123.543 0.050 . 1 . . . . . 140 LYS N . 27022 1 648 . 1 1 142 142 ALA H H 1 7.461 0.005 . 1 . . . . . 141 ALA HN . 27022 1 649 . 1 1 142 142 ALA C C 13 176.273 0.050 . 1 . . . . . 141 ALA C . 27022 1 650 . 1 1 142 142 ALA CA C 13 50.365 0.050 . 1 . . . . . 141 ALA CA . 27022 1 651 . 1 1 142 142 ALA CB C 13 18.919 0.050 . 1 . . . . . 141 ALA CB . 27022 1 652 . 1 1 142 142 ALA N N 15 124.974 0.050 . 1 . . . . . 141 ALA N . 27022 1 653 . 1 1 143 143 GLU H H 1 8.870 0.005 . 1 . . . . . 142 GLU HN . 27022 1 654 . 1 1 143 143 GLU C C 13 176.340 0.050 . 1 . . . . . 142 GLU C . 27022 1 655 . 1 1 143 143 GLU CA C 13 53.620 0.050 . 1 . . . . . 142 GLU CA . 27022 1 656 . 1 1 143 143 GLU CB C 13 28.941 0.050 . 1 . . . . . 142 GLU CB . 27022 1 657 . 1 1 143 143 GLU N N 15 123.391 0.050 . 1 . . . . . 142 GLU N . 27022 1 658 . 1 1 145 145 ALA C C 13 181.559 0.050 . 1 . . . . . 144 ALA C . 27022 1 659 . 1 1 145 145 ALA CA C 13 54.725 0.050 . 1 . . . . . 144 ALA CA . 27022 1 660 . 1 1 145 145 ALA CB C 13 17.303 0.050 . 1 . . . . . 144 ALA CB . 27022 1 661 . 1 1 146 146 LYS H H 1 7.136 0.005 . 1 . . . . . 145 LYS HN . 27022 1 662 . 1 1 146 146 LYS C C 13 180.445 0.050 . 1 . . . . . 145 LYS C . 27022 1 663 . 1 1 146 146 LYS CA C 13 58.197 0.050 . 1 . . . . . 145 LYS CA . 27022 1 664 . 1 1 146 146 LYS CB C 13 30.453 0.050 . 1 . . . . . 145 LYS CB . 27022 1 665 . 1 1 146 146 LYS N N 15 117.995 0.050 . 1 . . . . . 145 LYS N . 27022 1 666 . 1 1 147 147 ILE H H 1 8.083 0.005 . 1 . . . . . 146 ILE HN . 27022 1 667 . 1 1 147 147 ILE C C 13 178.074 0.050 . 1 . . . . . 146 ILE C . 27022 1 668 . 1 1 147 147 ILE CA C 13 65.903 0.050 . 1 . . . . . 146 ILE CA . 27022 1 669 . 1 1 147 147 ILE CB C 13 37.093 0.050 . 1 . . . . . 146 ILE CB . 27022 1 670 . 1 1 147 147 ILE N N 15 124.536 0.050 . 1 . . . . . 146 ILE N . 27022 1 671 . 1 1 148 148 GLU H H 1 7.935 0.005 . 1 . . . . . 147 GLU HN . 27022 1 672 . 1 1 148 148 GLU C C 13 179.222 0.050 . 1 . . . . . 147 GLU C . 27022 1 673 . 1 1 148 148 GLU CA C 13 58.998 0.050 . 1 . . . . . 147 GLU CA . 27022 1 674 . 1 1 148 148 GLU CB C 13 28.096 0.050 . 1 . . . . . 147 GLU CB . 27022 1 675 . 1 1 148 148 GLU N N 15 119.008 0.050 . 1 . . . . . 147 GLU N . 27022 1 676 . 1 1 149 149 ALA H H 1 7.533 0.005 . 1 . . . . . 148 ALA HN . 27022 1 677 . 1 1 149 149 ALA C C 13 179.848 0.050 . 1 . . . . . 148 ALA C . 27022 1 678 . 1 1 149 149 ALA CA C 13 54.501 0.050 . 1 . . . . . 148 ALA CA . 27022 1 679 . 1 1 149 149 ALA CB C 13 17.195 0.050 . 1 . . . . . 148 ALA CB . 27022 1 680 . 1 1 149 149 ALA N N 15 122.153 0.050 . 1 . . . . . 148 ALA N . 27022 1 681 . 1 1 150 150 PHE H H 1 8.072 0.005 . 1 . . . . . 149 PHE HN . 27022 1 682 . 1 1 150 150 PHE C C 13 176.670 0.050 . 1 . . . . . 149 PHE C . 27022 1 683 . 1 1 150 150 PHE CA C 13 61.069 0.050 . 1 . . . . . 149 PHE CA . 27022 1 684 . 1 1 150 150 PHE CB C 13 39.721 0.050 . 1 . . . . . 149 PHE CB . 27022 1 685 . 1 1 150 150 PHE N N 15 123.194 0.050 . 1 . . . . . 149 PHE N . 27022 1 686 . 1 1 151 151 ARG H H 1 8.116 0.005 . 1 . . . . . 150 ARG HN . 27022 1 687 . 1 1 151 151 ARG C C 13 179.249 0.050 . 1 . . . . . 150 ARG C . 27022 1 688 . 1 1 151 151 ARG CA C 13 59.418 0.050 . 1 . . . . . 150 ARG CA . 27022 1 689 . 1 1 151 151 ARG CB C 13 28.278 0.050 . 1 . . . . . 150 ARG CB . 27022 1 690 . 1 1 151 151 ARG N N 15 117.833 0.050 . 1 . . . . . 150 ARG N . 27022 1 691 . 1 1 152 152 ALA H H 1 8.344 0.005 . 1 . . . . . 151 ALA HN . 27022 1 692 . 1 1 152 152 ALA C C 13 179.763 0.050 . 1 . . . . . 151 ALA C . 27022 1 693 . 1 1 152 152 ALA CA C 13 54.344 0.050 . 1 . . . . . 151 ALA CA . 27022 1 694 . 1 1 152 152 ALA CB C 13 16.953 0.050 . 1 . . . . . 151 ALA CB . 27022 1 695 . 1 1 152 152 ALA N N 15 123.455 0.050 . 1 . . . . . 151 ALA N . 27022 1 696 . 1 1 153 153 SER H H 1 7.474 0.005 . 1 . . . . . 152 SER HN . 27022 1 697 . 1 1 153 153 SER C C 13 176.962 0.050 . 1 . . . . . 152 SER C . 27022 1 698 . 1 1 153 153 SER CA C 13 61.325 0.050 . 1 . . . . . 152 SER CA . 27022 1 699 . 1 1 153 153 SER CB C 13 62.245 0.050 . 1 . . . . . 152 SER CB . 27022 1 700 . 1 1 153 153 SER N N 15 114.835 0.050 . 1 . . . . . 152 SER N . 27022 1 701 . 1 1 154 154 LEU H H 1 7.395 0.005 . 1 . . . . . 153 LEU HN . 27022 1 702 . 1 1 154 154 LEU C C 13 179.043 0.050 . 1 . . . . . 153 LEU C . 27022 1 703 . 1 1 154 154 LEU CA C 13 57.046 0.050 . 1 . . . . . 153 LEU CA . 27022 1 704 . 1 1 154 154 LEU CB C 13 41.628 0.050 . 1 . . . . . 153 LEU CB . 27022 1 705 . 1 1 154 154 LEU N N 15 116.959 0.050 . 1 . . . . . 153 LEU N . 27022 1 706 . 1 1 155 155 SER H H 1 7.181 0.005 . 1 . . . . . 154 SER HN . 27022 1 707 . 1 1 155 155 SER C C 13 173.509 0.050 . 1 . . . . . 154 SER C . 27022 1 708 . 1 1 155 155 SER CA C 13 60.489 0.050 . 1 . . . . . 154 SER CA . 27022 1 709 . 1 1 155 155 SER CB C 13 62.257 0.050 . 1 . . . . . 154 SER CB . 27022 1 710 . 1 1 155 155 SER N N 15 108.025 0.050 . 1 . . . . . 154 SER N . 27022 1 711 . 1 1 156 156 LYS H H 1 7.156 0.005 . 1 . . . . . 155 LYS HN . 27022 1 712 . 1 1 156 156 LYS C C 13 178.595 0.050 . 1 . . . . . 155 LYS C . 27022 1 713 . 1 1 156 156 LYS CA C 13 56.343 0.050 . 1 . . . . . 155 LYS CA . 27022 1 714 . 1 1 156 156 LYS CB C 13 32.040 0.050 . 1 . . . . . 155 LYS CB . 27022 1 715 . 1 1 156 156 LYS N N 15 116.201 0.050 . 1 . . . . . 155 LYS N . 27022 1 716 . 1 1 157 157 LEU H H 1 7.359 0.005 . 1 . . . . . 156 LEU HN . 27022 1 717 . 1 1 157 157 LEU C C 13 174.342 0.050 . 1 . . . . . 156 LEU C . 27022 1 718 . 1 1 157 157 LEU CA C 13 55.607 0.050 . 1 . . . . . 156 LEU CA . 27022 1 719 . 1 1 157 157 LEU CB C 13 39.062 0.050 . 1 . . . . . 156 LEU CB . 27022 1 720 . 1 1 157 157 LEU N N 15 117.546 0.050 . 1 . . . . . 156 LEU N . 27022 1 721 . 1 1 158 158 GLY H H 1 6.771 0.005 . 1 . . . . . 157 GLY HN . 27022 1 722 . 1 1 158 158 GLY C C 13 168.759 0.050 . 1 . . . . . 157 GLY C . 27022 1 723 . 1 1 158 158 GLY CA C 13 44.047 0.050 . 1 . . . . . 157 GLY CA . 27022 1 724 . 1 1 158 158 GLY N N 15 98.798 0.050 . 1 . . . . . 157 GLY N . 27022 1 725 . 1 1 159 159 ASP H H 1 9.396 0.005 . 1 . . . . . 158 ASP HN . 27022 1 726 . 1 1 159 159 ASP C C 13 176.470 0.050 . 1 . . . . . 158 ASP C . 27022 1 727 . 1 1 159 159 ASP CA C 13 55.207 0.050 . 1 . . . . . 158 ASP CA . 27022 1 728 . 1 1 159 159 ASP CB C 13 44.879 0.050 . 1 . . . . . 158 ASP CB . 27022 1 729 . 1 1 159 159 ASP N N 15 115.227 0.050 . 1 . . . . . 158 ASP N . 27022 1 730 . 1 1 160 160 VAL H H 1 7.831 0.005 . 1 . . . . . 159 VAL HN . 27022 1 731 . 1 1 160 160 VAL C C 13 171.487 0.050 . 1 . . . . . 159 VAL C . 27022 1 732 . 1 1 160 160 VAL CA C 13 58.948 0.050 . 1 . . . . . 159 VAL CA . 27022 1 733 . 1 1 160 160 VAL CB C 13 34.791 0.050 . 1 . . . . . 159 VAL CB . 27022 1 734 . 1 1 160 160 VAL N N 15 112.307 0.050 . 1 . . . . . 159 VAL N . 27022 1 735 . 1 1 161 161 TYR H H 1 8.083 0.005 . 1 . . . . . 160 TYR HN . 27022 1 736 . 1 1 161 161 TYR C C 13 172.990 0.050 . 1 . . . . . 160 TYR C . 27022 1 737 . 1 1 161 161 TYR CA C 13 54.763 0.050 . 1 . . . . . 160 TYR CA . 27022 1 738 . 1 1 161 161 TYR CB C 13 41.192 0.050 . 1 . . . . . 160 TYR CB . 27022 1 739 . 1 1 161 161 TYR N N 15 124.182 0.050 . 1 . . . . . 160 TYR N . 27022 1 740 . 1 1 162 162 VAL H H 1 8.472 0.005 . 1 . . . . . 161 VAL HN . 27022 1 741 . 1 1 162 162 VAL C C 13 172.538 0.050 . 1 . . . . . 161 VAL C . 27022 1 742 . 1 1 162 162 VAL CA C 13 57.562 0.050 . 1 . . . . . 161 VAL CA . 27022 1 743 . 1 1 162 162 VAL CB C 13 34.656 0.050 . 1 . . . . . 161 VAL CB . 27022 1 744 . 1 1 162 162 VAL N N 15 126.722 0.050 . 1 . . . . . 161 VAL N . 27022 1 745 . 1 1 163 163 ASN H H 1 8.684 0.005 . 1 . . . . . 162 ASN HN . 27022 1 746 . 1 1 163 163 ASN C C 13 174.846 0.050 . 1 . . . . . 162 ASN C . 27022 1 747 . 1 1 163 163 ASN CA C 13 51.014 0.050 . 1 . . . . . 162 ASN CA . 27022 1 748 . 1 1 163 163 ASN CB C 13 39.514 0.050 . 1 . . . . . 162 ASN CB . 27022 1 749 . 1 1 163 163 ASN N N 15 123.193 0.050 . 1 . . . . . 162 ASN N . 27022 1 750 . 1 1 164 164 ASP H H 1 9.195 0.005 . 1 . . . . . 163 ASP HN . 27022 1 751 . 1 1 164 164 ASP C C 13 177.925 0.050 . 1 . . . . . 163 ASP C . 27022 1 752 . 1 1 164 164 ASP CA C 13 51.750 0.050 . 1 . . . . . 163 ASP CA . 27022 1 753 . 1 1 164 164 ASP CB C 13 43.426 0.050 . 1 . . . . . 163 ASP CB . 27022 1 754 . 1 1 164 164 ASP N N 15 129.664 0.050 . 1 . . . . . 163 ASP N . 27022 1 755 . 1 1 165 165 ALA H H 1 8.726 0.005 . 1 . . . . . 164 ALA HN . 27022 1 756 . 1 1 165 165 ALA C C 13 176.987 0.050 . 1 . . . . . 164 ALA C . 27022 1 757 . 1 1 165 165 ALA CA C 13 49.943 0.050 . 1 . . . . . 164 ALA CA . 27022 1 758 . 1 1 165 165 ALA CB C 13 17.337 0.050 . 1 . . . . . 164 ALA CB . 27022 1 759 . 1 1 165 165 ALA N N 15 128.228 0.050 . 1 . . . . . 164 ALA N . 27022 1 760 . 1 1 166 166 PHE H H 1 7.709 0.005 . 1 . . . . . 165 PHE HN . 27022 1 761 . 1 1 166 166 PHE C C 13 177.007 0.050 . 1 . . . . . 165 PHE C . 27022 1 762 . 1 1 166 166 PHE CA C 13 62.482 0.050 . 1 . . . . . 165 PHE CA . 27022 1 763 . 1 1 166 166 PHE CB C 13 37.403 0.050 . 1 . . . . . 165 PHE CB . 27022 1 764 . 1 1 166 166 PHE N N 15 125.889 0.050 . 1 . . . . . 165 PHE N . 27022 1 765 . 1 1 167 167 GLY H H 1 8.925 0.005 . 1 . . . . . 166 GLY HN . 27022 1 766 . 1 1 167 167 GLY C C 13 174.559 0.050 . 1 . . . . . 166 GLY C . 27022 1 767 . 1 1 167 167 GLY CA C 13 47.053 0.050 . 1 . . . . . 166 GLY CA . 27022 1 768 . 1 1 167 167 GLY N N 15 99.703 0.050 . 1 . . . . . 166 GLY N . 27022 1 769 . 1 1 168 168 THR H H 1 7.143 0.005 . 1 . . . . . 167 THR HN . 27022 1 770 . 1 1 168 168 THR C C 13 175.462 0.050 . 1 . . . . . 167 THR C . 27022 1 771 . 1 1 168 168 THR CA C 13 60.216 0.050 . 1 . . . . . 167 THR CA . 27022 1 772 . 1 1 168 168 THR CB C 13 69.517 0.050 . 1 . . . . . 167 THR CB . 27022 1 773 . 1 1 168 168 THR N N 15 112.309 0.050 . 1 . . . . . 167 THR N . 27022 1 774 . 1 1 169 169 ALA H H 1 7.699 0.005 . 1 . . . . . 168 ALA HN . 27022 1 775 . 1 1 169 169 ALA C C 13 175.576 0.050 . 1 . . . . . 168 ALA C . 27022 1 776 . 1 1 169 169 ALA CA C 13 54.746 0.050 . 1 . . . . . 168 ALA CA . 27022 1 777 . 1 1 169 169 ALA CB C 13 17.544 0.050 . 1 . . . . . 168 ALA CB . 27022 1 778 . 1 1 169 169 ALA N N 15 123.161 0.050 . 1 . . . . . 168 ALA N . 27022 1 779 . 1 1 170 170 HIS H H 1 10.658 0.005 . 1 . . . . . 169 HIS HN . 27022 1 780 . 1 1 170 170 HIS C C 13 174.872 0.050 . 1 . . . . . 169 HIS C . 27022 1 781 . 1 1 170 170 HIS CA C 13 56.291 0.050 . 1 . . . . . 169 HIS CA . 27022 1 782 . 1 1 170 170 HIS CB C 13 28.575 0.050 . 1 . . . . . 169 HIS CB . 27022 1 783 . 1 1 170 170 HIS N N 15 115.806 0.050 . 1 . . . . . 169 HIS N . 27022 1 784 . 1 1 171 171 ARG H H 1 8.174 0.005 . 1 . . . . . 170 ARG HN . 27022 1 785 . 1 1 171 171 ARG C C 13 175.136 0.050 . 1 . . . . . 170 ARG C . 27022 1 786 . 1 1 171 171 ARG CA C 13 51.962 0.050 . 1 . . . . . 170 ARG CA . 27022 1 787 . 1 1 171 171 ARG CB C 13 27.330 0.050 . 1 . . . . . 170 ARG CB . 27022 1 788 . 1 1 171 171 ARG N N 15 121.998 0.050 . 1 . . . . . 170 ARG N . 27022 1 789 . 1 1 172 172 ALA H H 1 8.574 0.005 . 1 . . . . . 171 ALA HN . 27022 1 790 . 1 1 172 172 ALA C C 13 176.118 0.050 . 1 . . . . . 171 ALA C . 27022 1 791 . 1 1 172 172 ALA CA C 13 49.248 0.050 . 1 . . . . . 171 ALA CA . 27022 1 792 . 1 1 172 172 ALA CB C 13 14.831 0.050 . 1 . . . . . 171 ALA CB . 27022 1 793 . 1 1 172 172 ALA N N 15 129.435 0.050 . 1 . . . . . 171 ALA N . 27022 1 794 . 1 1 173 173 HIS H H 1 6.572 0.005 . 1 . . . . . 172 HIS HN . 27022 1 795 . 1 1 173 173 HIS C C 13 177.272 0.050 . 1 . . . . . 172 HIS C . 27022 1 796 . 1 1 173 173 HIS CA C 13 51.986 0.050 . 1 . . . . . 172 HIS CA . 27022 1 797 . 1 1 173 173 HIS CB C 13 33.790 0.050 . 1 . . . . . 172 HIS CB . 27022 1 798 . 1 1 173 173 HIS N N 15 120.107 0.050 . 1 . . . . . 172 HIS N . 27022 1 799 . 1 1 174 174 SER H H 1 9.647 0.005 . 1 . . . . . 173 SER HN . 27022 1 800 . 1 1 174 174 SER C C 13 175.497 0.050 . 1 . . . . . 173 SER C . 27022 1 801 . 1 1 174 174 SER CA C 13 64.149 0.050 . 1 . . . . . 173 SER CA . 27022 1 802 . 1 1 174 174 SER CB C 13 61.850 0.050 . 1 . . . . . 173 SER CB . 27022 1 803 . 1 1 174 174 SER N N 15 121.926 0.050 . 1 . . . . . 173 SER N . 27022 1 804 . 1 1 175 175 SER H H 1 10.405 0.005 . 1 . . . . . 174 SER HN . 27022 1 805 . 1 1 175 175 SER C C 13 173.673 0.050 . 1 . . . . . 174 SER C . 27022 1 806 . 1 1 175 175 SER CA C 13 60.156 0.050 . 1 . . . . . 174 SER CA . 27022 1 807 . 1 1 175 175 SER CB C 13 61.969 0.050 . 1 . . . . . 174 SER CB . 27022 1 808 . 1 1 175 175 SER N N 15 116.668 0.050 . 1 . . . . . 174 SER N . 27022 1 809 . 1 1 176 176 MET H H 1 7.232 0.005 . 1 . . . . . 175 MET HN . 27022 1 810 . 1 1 176 176 MET C C 13 176.624 0.050 . 1 . . . . . 175 MET C . 27022 1 811 . 1 1 176 176 MET CA C 13 54.163 0.050 . 1 . . . . . 175 MET CA . 27022 1 812 . 1 1 176 176 MET CB C 13 31.812 0.050 . 1 . . . . . 175 MET CB . 27022 1 813 . 1 1 176 176 MET N N 15 118.686 0.050 . 1 . . . . . 175 MET N . 27022 1 814 . 1 1 177 177 VAL H H 1 7.284 0.005 . 1 . . . . . 176 VAL HN . 27022 1 815 . 1 1 177 177 VAL C C 13 177.028 0.050 . 1 . . . . . 176 VAL C . 27022 1 816 . 1 1 177 177 VAL CA C 13 59.257 0.050 . 1 . . . . . 176 VAL CA . 27022 1 817 . 1 1 177 177 VAL CB C 13 32.358 0.050 . 1 . . . . . 176 VAL CB . 27022 1 818 . 1 1 177 177 VAL N N 15 106.299 0.050 . 1 . . . . . 176 VAL N . 27022 1 819 . 1 1 178 178 GLY H H 1 7.938 0.005 . 1 . . . . . 177 GLY HN . 27022 1 820 . 1 1 178 178 GLY C C 13 172.964 0.050 . 1 . . . . . 177 GLY C . 27022 1 821 . 1 1 178 178 GLY CA C 13 44.480 0.050 . 1 . . . . . 177 GLY CA . 27022 1 822 . 1 1 178 178 GLY N N 15 110.559 0.050 . 1 . . . . . 177 GLY N . 27022 1 823 . 1 1 179 179 VAL H H 1 7.483 0.005 . 1 . . . . . 178 VAL HN . 27022 1 824 . 1 1 179 179 VAL C C 13 175.194 0.050 . 1 . . . . . 178 VAL C . 27022 1 825 . 1 1 179 179 VAL CA C 13 62.382 0.050 . 1 . . . . . 178 VAL CA . 27022 1 826 . 1 1 179 179 VAL CB C 13 29.075 0.050 . 1 . . . . . 178 VAL CB . 27022 1 827 . 1 1 179 179 VAL N N 15 121.664 0.050 . 1 . . . . . 178 VAL N . 27022 1 828 . 1 1 180 180 ASN H H 1 8.235 0.005 . 1 . . . . . 179 ASN HN . 27022 1 829 . 1 1 180 180 ASN C C 13 174.100 0.050 . 1 . . . . . 179 ASN C . 27022 1 830 . 1 1 180 180 ASN CA C 13 51.403 0.050 . 1 . . . . . 179 ASN CA . 27022 1 831 . 1 1 180 180 ASN CB C 13 37.012 0.050 . 1 . . . . . 179 ASN CB . 27022 1 832 . 1 1 180 180 ASN N N 15 127.921 0.050 . 1 . . . . . 179 ASN N . 27022 1 833 . 1 1 181 181 LEU H H 1 6.441 0.005 . 1 . . . . . 180 LEU HN . 27022 1 834 . 1 1 181 181 LEU C C 13 175.779 0.050 . 1 . . . . . 180 LEU C . 27022 1 835 . 1 1 181 181 LEU CA C 13 51.555 0.050 . 1 . . . . . 180 LEU CA . 27022 1 836 . 1 1 181 181 LEU CB C 13 43.121 0.050 . 1 . . . . . 180 LEU CB . 27022 1 837 . 1 1 181 181 LEU N N 15 122.145 0.050 . 1 . . . . . 180 LEU N . 27022 1 838 . 1 1 182 182 PRO C C 13 177.286 0.050 . 1 . . . . . 181 PRO C . 27022 1 839 . 1 1 182 182 PRO CA C 13 64.970 0.050 . 1 . . . . . 181 PRO CA . 27022 1 840 . 1 1 182 182 PRO CB C 13 31.477 0.050 . 1 . . . . . 181 PRO CB . 27022 1 841 . 1 1 183 183 GLN H H 1 7.360 0.005 . 1 . . . . . 182 GLN HN . 27022 1 842 . 1 1 183 183 GLN C C 13 173.285 0.050 . 1 . . . . . 182 GLN C . 27022 1 843 . 1 1 183 183 GLN CA C 13 55.188 0.050 . 1 . . . . . 182 GLN CA . 27022 1 844 . 1 1 183 183 GLN CB C 13 30.776 0.050 . 1 . . . . . 182 GLN CB . 27022 1 845 . 1 1 183 183 GLN N N 15 113.661 0.050 . 1 . . . . . 182 GLN N . 27022 1 846 . 1 1 184 184 LYS H H 1 8.274 0.005 . 1 . . . . . 183 LYS HN . 27022 1 847 . 1 1 184 184 LYS C C 13 174.358 0.050 . 1 . . . . . 183 LYS C . 27022 1 848 . 1 1 184 184 LYS CA C 13 54.070 0.050 . 1 . . . . . 183 LYS CA . 27022 1 849 . 1 1 184 184 LYS CB C 13 31.757 0.050 . 1 . . . . . 183 LYS CB . 27022 1 850 . 1 1 184 184 LYS N N 15 123.353 0.050 . 1 . . . . . 183 LYS N . 27022 1 851 . 1 1 185 185 ALA H H 1 9.152 0.005 . 1 . . . . . 184 ALA HN . 27022 1 852 . 1 1 185 185 ALA C C 13 177.206 0.050 . 1 . . . . . 184 ALA C . 27022 1 853 . 1 1 185 185 ALA CA C 13 48.557 0.050 . 1 . . . . . 184 ALA CA . 27022 1 854 . 1 1 185 185 ALA CB C 13 22.035 0.050 . 1 . . . . . 184 ALA CB . 27022 1 855 . 1 1 185 185 ALA N N 15 125.119 0.050 . 1 . . . . . 184 ALA N . 27022 1 856 . 1 1 186 186 GLY H H 1 9.294 0.005 . 1 . . . . . 185 GLY HN . 27022 1 857 . 1 1 186 186 GLY C C 13 173.847 0.050 . 1 . . . . . 185 GLY C . 27022 1 858 . 1 1 186 186 GLY CA C 13 44.120 0.050 . 1 . . . . . 185 GLY CA . 27022 1 859 . 1 1 186 186 GLY N N 15 109.763 0.050 . 1 . . . . . 185 GLY N . 27022 1 860 . 1 1 187 187 GLY H H 1 7.927 0.005 . 1 . . . . . 186 GLY HN . 27022 1 861 . 1 1 187 187 GLY C C 13 172.392 0.050 . 1 . . . . . 186 GLY C . 27022 1 862 . 1 1 187 187 GLY CA C 13 44.047 0.050 . 1 . . . . . 186 GLY CA . 27022 1 863 . 1 1 187 187 GLY N N 15 110.329 0.050 . 1 . . . . . 186 GLY N . 27022 1 864 . 1 1 188 188 PHE H H 1 7.057 0.005 . 1 . . . . . 187 PHE HN . 27022 1 865 . 1 1 188 188 PHE C C 13 178.447 0.050 . 1 . . . . . 187 PHE C . 27022 1 866 . 1 1 188 188 PHE CA C 13 59.322 0.050 . 1 . . . . . 187 PHE CA . 27022 1 867 . 1 1 188 188 PHE CB C 13 36.992 0.050 . 1 . . . . . 187 PHE CB . 27022 1 868 . 1 1 188 188 PHE N N 15 113.399 0.050 . 1 . . . . . 187 PHE N . 27022 1 869 . 1 1 189 189 LEU H H 1 10.279 0.005 . 1 . . . . . 188 LEU HN . 27022 1 870 . 1 1 189 189 LEU C C 13 178.586 0.050 . 1 . . . . . 188 LEU C . 27022 1 871 . 1 1 189 189 LEU CA C 13 57.436 0.050 . 1 . . . . . 188 LEU CA . 27022 1 872 . 1 1 189 189 LEU CB C 13 39.380 0.050 . 1 . . . . . 188 LEU CB . 27022 1 873 . 1 1 189 189 LEU N N 15 129.054 0.050 . 1 . . . . . 188 LEU N . 27022 1 874 . 1 1 190 190 MET H H 1 8.515 0.005 . 1 . . . . . 189 MET HN . 27022 1 875 . 1 1 190 190 MET C C 13 177.651 0.050 . 1 . . . . . 189 MET C . 27022 1 876 . 1 1 190 190 MET CA C 13 58.438 0.050 . 1 . . . . . 189 MET CA . 27022 1 877 . 1 1 190 190 MET CB C 13 32.401 0.050 . 1 . . . . . 189 MET CB . 27022 1 878 . 1 1 190 190 MET N N 15 120.192 0.050 . 1 . . . . . 189 MET N . 27022 1 879 . 1 1 191 191 LYS H H 1 7.897 0.005 . 1 . . . . . 190 LYS HN . 27022 1 880 . 1 1 191 191 LYS C C 13 177.237 0.050 . 1 . . . . . 190 LYS C . 27022 1 881 . 1 1 191 191 LYS CA C 13 59.350 0.050 . 1 . . . . . 190 LYS CA . 27022 1 882 . 1 1 191 191 LYS CB C 13 32.334 0.050 . 1 . . . . . 190 LYS CB . 27022 1 883 . 1 1 191 191 LYS N N 15 115.486 0.050 . 1 . . . . . 190 LYS N . 27022 1 884 . 1 1 192 192 LYS H H 1 7.913 0.005 . 1 . . . . . 191 LYS HN . 27022 1 885 . 1 1 192 192 LYS C C 13 180.146 0.050 . 1 . . . . . 191 LYS C . 27022 1 886 . 1 1 192 192 LYS CA C 13 59.314 0.050 . 1 . . . . . 191 LYS CA . 27022 1 887 . 1 1 192 192 LYS CB C 13 32.206 0.050 . 1 . . . . . 191 LYS CB . 27022 1 888 . 1 1 192 192 LYS N N 15 120.170 0.050 . 1 . . . . . 191 LYS N . 27022 1 889 . 1 1 193 193 GLU H H 1 8.492 0.005 . 1 . . . . . 192 GLU HN . 27022 1 890 . 1 1 193 193 GLU C C 13 178.507 0.050 . 1 . . . . . 192 GLU C . 27022 1 891 . 1 1 193 193 GLU CA C 13 59.165 0.050 . 1 . . . . . 192 GLU CA . 27022 1 892 . 1 1 193 193 GLU CB C 13 26.089 0.050 . 1 . . . . . 192 GLU CB . 27022 1 893 . 1 1 193 193 GLU N N 15 118.718 0.050 . 1 . . . . . 192 GLU N . 27022 1 894 . 1 1 194 194 LEU H H 1 7.980 0.005 . 1 . . . . . 193 LEU HN . 27022 1 895 . 1 1 194 194 LEU C C 13 180.563 0.050 . 1 . . . . . 193 LEU C . 27022 1 896 . 1 1 194 194 LEU CA C 13 57.559 0.050 . 1 . . . . . 193 LEU CA . 27022 1 897 . 1 1 194 194 LEU CB C 13 39.564 0.050 . 1 . . . . . 193 LEU CB . 27022 1 898 . 1 1 194 194 LEU N N 15 117.236 0.050 . 1 . . . . . 193 LEU N . 27022 1 899 . 1 1 195 195 ASN H H 1 8.320 0.005 . 1 . . . . . 194 ASN HN . 27022 1 900 . 1 1 195 195 ASN C C 13 177.589 0.050 . 1 . . . . . 194 ASN C . 27022 1 901 . 1 1 195 195 ASN CA C 13 55.564 0.050 . 1 . . . . . 194 ASN CA . 27022 1 902 . 1 1 195 195 ASN CB C 13 37.150 0.050 . 1 . . . . . 194 ASN CB . 27022 1 903 . 1 1 195 195 ASN N N 15 117.547 0.050 . 1 . . . . . 194 ASN N . 27022 1 904 . 1 1 196 196 TYR H H 1 7.577 0.005 . 1 . . . . . 195 TYR HN . 27022 1 905 . 1 1 196 196 TYR C C 13 178.514 0.050 . 1 . . . . . 195 TYR C . 27022 1 906 . 1 1 196 196 TYR CA C 13 62.235 0.050 . 1 . . . . . 195 TYR CA . 27022 1 907 . 1 1 196 196 TYR CB C 13 36.907 0.050 . 1 . . . . . 195 TYR CB . 27022 1 908 . 1 1 196 196 TYR N N 15 121.622 0.050 . 1 . . . . . 195 TYR N . 27022 1 909 . 1 1 197 197 PHE H H 1 8.322 0.005 . 1 . . . . . 196 PHE HN . 27022 1 910 . 1 1 197 197 PHE C C 13 177.379 0.050 . 1 . . . . . 196 PHE C . 27022 1 911 . 1 1 197 197 PHE CA C 13 63.010 0.050 . 1 . . . . . 196 PHE CA . 27022 1 912 . 1 1 197 197 PHE CB C 13 38.561 0.050 . 1 . . . . . 196 PHE CB . 27022 1 913 . 1 1 197 197 PHE N N 15 116.540 0.050 . 1 . . . . . 196 PHE N . 27022 1 914 . 1 1 198 198 ALA H H 1 8.252 0.005 . 1 . . . . . 197 ALA HN . 27022 1 915 . 1 1 198 198 ALA C C 13 180.179 0.050 . 1 . . . . . 197 ALA C . 27022 1 916 . 1 1 198 198 ALA CA C 13 54.725 0.050 . 1 . . . . . 197 ALA CA . 27022 1 917 . 1 1 198 198 ALA CB C 13 16.986 0.050 . 1 . . . . . 197 ALA CB . 27022 1 918 . 1 1 198 198 ALA N N 15 121.356 0.050 . 1 . . . . . 197 ALA N . 27022 1 919 . 1 1 199 199 LYS H H 1 6.669 0.005 . 1 . . . . . 198 LYS HN . 27022 1 920 . 1 1 199 199 LYS C C 13 178.495 0.050 . 1 . . . . . 198 LYS C . 27022 1 921 . 1 1 199 199 LYS CA C 13 57.416 0.050 . 1 . . . . . 198 LYS CA . 27022 1 922 . 1 1 199 199 LYS CB C 13 30.769 0.050 . 1 . . . . . 198 LYS CB . 27022 1 923 . 1 1 199 199 LYS N N 15 115.853 0.050 . 1 . . . . . 198 LYS N . 27022 1 924 . 1 1 200 200 ALA H H 1 7.478 0.005 . 1 . . . . . 199 ALA HN . 27022 1 925 . 1 1 200 200 ALA C C 13 178.480 0.050 . 1 . . . . . 199 ALA C . 27022 1 926 . 1 1 200 200 ALA CA C 13 53.367 0.050 . 1 . . . . . 199 ALA CA . 27022 1 927 . 1 1 200 200 ALA CB C 13 17.220 0.050 . 1 . . . . . 199 ALA CB . 27022 1 928 . 1 1 200 200 ALA N N 15 120.254 0.050 . 1 . . . . . 199 ALA N . 27022 1 929 . 1 1 201 201 LEU H H 1 8.061 0.005 . 1 . . . . . 200 LEU HN . 27022 1 930 . 1 1 201 201 LEU C C 13 178.170 0.050 . 1 . . . . . 200 LEU C . 27022 1 931 . 1 1 201 201 LEU CA C 13 53.755 0.050 . 1 . . . . . 200 LEU CA . 27022 1 932 . 1 1 201 201 LEU CB C 13 39.535 0.050 . 1 . . . . . 200 LEU CB . 27022 1 933 . 1 1 201 201 LEU N N 15 111.852 0.050 . 1 . . . . . 200 LEU N . 27022 1 934 . 1 1 202 202 GLU H H 1 7.105 0.005 . 1 . . . . . 201 GLU HN . 27022 1 935 . 1 1 202 202 GLU C C 13 177.091 0.050 . 1 . . . . . 201 GLU C . 27022 1 936 . 1 1 202 202 GLU CA C 13 58.537 0.050 . 1 . . . . . 201 GLU CA . 27022 1 937 . 1 1 202 202 GLU CB C 13 28.697 0.050 . 1 . . . . . 201 GLU CB . 27022 1 938 . 1 1 202 202 GLU N N 15 121.367 0.050 . 1 . . . . . 201 GLU N . 27022 1 939 . 1 1 203 203 SER H H 1 7.690 0.005 . 1 . . . . . 202 SER HN . 27022 1 940 . 1 1 203 203 SER C C 13 170.647 0.050 . 1 . . . . . 202 SER C . 27022 1 941 . 1 1 203 203 SER CA C 13 54.140 0.050 . 1 . . . . . 202 SER CA . 27022 1 942 . 1 1 203 203 SER CB C 13 61.901 0.050 . 1 . . . . . 202 SER CB . 27022 1 943 . 1 1 203 203 SER N N 15 111.658 0.050 . 1 . . . . . 202 SER N . 27022 1 944 . 1 1 204 204 PRO C C 13 177.337 0.050 . 1 . . . . . 203 PRO C . 27022 1 945 . 1 1 204 204 PRO CA C 13 62.465 0.050 . 1 . . . . . 203 PRO CA . 27022 1 946 . 1 1 204 204 PRO CB C 13 31.430 0.050 . 1 . . . . . 203 PRO CB . 27022 1 947 . 1 1 205 205 GLU H H 1 7.017 0.005 . 1 . . . . . 204 GLU HN . 27022 1 948 . 1 1 205 205 GLU C C 13 174.322 0.050 . 1 . . . . . 204 GLU C . 27022 1 949 . 1 1 205 205 GLU CA C 13 55.218 0.050 . 1 . . . . . 204 GLU CA . 27022 1 950 . 1 1 205 205 GLU CB C 13 29.511 0.050 . 1 . . . . . 204 GLU CB . 27022 1 951 . 1 1 205 205 GLU N N 15 121.520 0.050 . 1 . . . . . 204 GLU N . 27022 1 952 . 1 1 206 206 ARG H H 1 7.809 0.005 . 1 . . . . . 205 ARG HN . 27022 1 953 . 1 1 206 206 ARG C C 13 174.664 0.050 . 1 . . . . . 205 ARG C . 27022 1 954 . 1 1 206 206 ARG CA C 13 52.069 0.050 . 1 . . . . . 205 ARG CA . 27022 1 955 . 1 1 206 206 ARG CB C 13 30.324 0.050 . 1 . . . . . 205 ARG CB . 27022 1 956 . 1 1 206 206 ARG N N 15 116.127 0.050 . 1 . . . . . 205 ARG N . 27022 1 957 . 1 1 207 207 PRO C C 13 175.241 0.050 . 1 . . . . . 206 PRO C . 27022 1 958 . 1 1 207 207 PRO CA C 13 62.773 0.050 . 1 . . . . . 206 PRO CA . 27022 1 959 . 1 1 207 207 PRO CB C 13 33.890 0.050 . 1 . . . . . 206 PRO CB . 27022 1 960 . 1 1 208 208 PHE H H 1 9.623 0.005 . 1 . . . . . 207 PHE HN . 27022 1 961 . 1 1 208 208 PHE C C 13 173.670 0.050 . 1 . . . . . 207 PHE C . 27022 1 962 . 1 1 208 208 PHE CA C 13 52.659 0.050 . 1 . . . . . 207 PHE CA . 27022 1 963 . 1 1 208 208 PHE CB C 13 38.071 0.050 . 1 . . . . . 207 PHE CB . 27022 1 964 . 1 1 208 208 PHE N N 15 129.025 0.050 . 1 . . . . . 207 PHE N . 27022 1 965 . 1 1 209 209 LEU H H 1 9.506 0.005 . 1 . . . . . 208 LEU HN . 27022 1 966 . 1 1 209 209 LEU C C 13 173.857 0.050 . 1 . . . . . 208 LEU C . 27022 1 967 . 1 1 209 209 LEU CA C 13 53.000 0.050 . 1 . . . . . 208 LEU CA . 27022 1 968 . 1 1 209 209 LEU CB C 13 43.105 0.050 . 1 . . . . . 208 LEU CB . 27022 1 969 . 1 1 209 209 LEU N N 15 133.947 0.050 . 1 . . . . . 208 LEU N . 27022 1 970 . 1 1 210 210 ALA H H 1 8.003 0.005 . 1 . . . . . 209 ALA HN . 27022 1 971 . 1 1 210 210 ALA C C 13 174.994 0.050 . 1 . . . . . 209 ALA C . 27022 1 972 . 1 1 210 210 ALA CA C 13 48.718 0.050 . 1 . . . . . 209 ALA CA . 27022 1 973 . 1 1 210 210 ALA CB C 13 20.097 0.050 . 1 . . . . . 209 ALA CB . 27022 1 974 . 1 1 210 210 ALA N N 15 126.681 0.050 . 1 . . . . . 209 ALA N . 27022 1 975 . 1 1 211 211 ILE H H 1 9.254 0.005 . 1 . . . . . 210 ILE HN . 27022 1 976 . 1 1 211 211 ILE C C 13 172.699 0.050 . 1 . . . . . 210 ILE C . 27022 1 977 . 1 1 211 211 ILE CA C 13 60.380 0.050 . 1 . . . . . 210 ILE CA . 27022 1 978 . 1 1 211 211 ILE CB C 13 36.870 0.050 . 1 . . . . . 210 ILE CB . 27022 1 979 . 1 1 211 211 ILE N N 15 123.248 0.050 . 1 . . . . . 210 ILE N . 27022 1 980 . 1 1 212 212 LEU H H 1 8.598 0.005 . 1 . . . . . 211 LEU HN . 27022 1 981 . 1 1 212 212 LEU C C 13 175.296 0.050 . 1 . . . . . 211 LEU C . 27022 1 982 . 1 1 212 212 LEU CA C 13 52.631 0.050 . 1 . . . . . 211 LEU CA . 27022 1 983 . 1 1 212 212 LEU CB C 13 42.890 0.050 . 1 . . . . . 211 LEU CB . 27022 1 984 . 1 1 212 212 LEU N N 15 128.836 0.050 . 1 . . . . . 211 LEU N . 27022 1 985 . 1 1 213 213 GLY H H 1 8.568 0.005 . 1 . . . . . 212 GLY HN . 27022 1 986 . 1 1 213 213 GLY C C 13 174.549 0.050 . 1 . . . . . 212 GLY C . 27022 1 987 . 1 1 213 213 GLY CA C 13 43.151 0.050 . 1 . . . . . 212 GLY CA . 27022 1 988 . 1 1 213 213 GLY N N 15 112.528 0.050 . 1 . . . . . 212 GLY N . 27022 1 989 . 1 1 214 214 GLY H H 1 8.393 0.005 . 1 . . . . . 213 GLY HN . 27022 1 990 . 1 1 214 214 GLY C C 13 172.290 0.050 . 1 . . . . . 213 GLY C . 27022 1 991 . 1 1 214 214 GLY CA C 13 45.145 0.050 . 1 . . . . . 213 GLY CA . 27022 1 992 . 1 1 214 214 GLY N N 15 107.767 0.050 . 1 . . . . . 213 GLY N . 27022 1 993 . 1 1 215 215 ALA H H 1 6.995 0.005 . 1 . . . . . 214 ALA HN . 27022 1 994 . 1 1 215 215 ALA C C 13 177.582 0.050 . 1 . . . . . 214 ALA C . 27022 1 995 . 1 1 215 215 ALA CA C 13 50.803 0.050 . 1 . . . . . 214 ALA CA . 27022 1 996 . 1 1 215 215 ALA CB C 13 20.335 0.050 . 1 . . . . . 214 ALA CB . 27022 1 997 . 1 1 215 215 ALA N N 15 118.237 0.050 . 1 . . . . . 214 ALA N . 27022 1 998 . 1 1 216 216 LYS H H 1 8.095 0.005 . 1 . . . . . 215 LYS HN . 27022 1 999 . 1 1 216 216 LYS C C 13 179.411 0.050 . 1 . . . . . 215 LYS C . 27022 1 1000 . 1 1 216 216 LYS CA C 13 60.442 0.050 . 1 . . . . . 215 LYS CA . 27022 1 1001 . 1 1 216 216 LYS CB C 13 33.604 0.050 . 1 . . . . . 215 LYS CB . 27022 1 1002 . 1 1 216 216 LYS N N 15 115.747 0.050 . 1 . . . . . 215 LYS N . 27022 1 1003 . 1 1 217 217 VAL C C 13 176.876 0.050 . 1 . . . . . 216 VAL C . 27022 1 1004 . 1 1 217 217 VAL CA C 13 65.423 0.050 . 1 . . . . . 216 VAL CA . 27022 1 1005 . 1 1 217 217 VAL CB C 13 30.963 0.050 . 1 . . . . . 216 VAL CB . 27022 1 1006 . 1 1 218 218 ALA H H 1 8.280 0.005 . 1 . . . . . 217 ALA HN . 27022 1 1007 . 1 1 218 218 ALA C C 13 180.780 0.050 . 1 . . . . . 217 ALA C . 27022 1 1008 . 1 1 218 218 ALA CA C 13 54.134 0.050 . 1 . . . . . 217 ALA CA . 27022 1 1009 . 1 1 218 218 ALA CB C 13 17.546 0.050 . 1 . . . . . 217 ALA CB . 27022 1 1010 . 1 1 218 218 ALA N N 15 119.786 0.050 . 1 . . . . . 217 ALA N . 27022 1 1011 . 1 1 219 219 ASP H H 1 7.510 0.005 . 1 . . . . . 218 ASP HN . 27022 1 1012 . 1 1 219 219 ASP C C 13 179.264 0.050 . 1 . . . . . 218 ASP C . 27022 1 1013 . 1 1 219 219 ASP CA C 13 55.694 0.050 . 1 . . . . . 218 ASP CA . 27022 1 1014 . 1 1 219 219 ASP CB C 13 41.617 0.050 . 1 . . . . . 218 ASP CB . 27022 1 1015 . 1 1 219 219 ASP N N 15 112.792 0.050 . 1 . . . . . 218 ASP N . 27022 1 1016 . 1 1 220 220 LYS H H 1 8.050 0.005 . 1 . . . . . 219 LYS HN . 27022 1 1017 . 1 1 220 220 LYS C C 13 179.117 0.050 . 1 . . . . . 219 LYS C . 27022 1 1018 . 1 1 220 220 LYS CA C 13 59.875 0.050 . 1 . . . . . 219 LYS CA . 27022 1 1019 . 1 1 220 220 LYS CB C 13 31.178 0.050 . 1 . . . . . 219 LYS CB . 27022 1 1020 . 1 1 220 220 LYS N N 15 118.533 0.050 . 1 . . . . . 219 LYS N . 27022 1 1021 . 1 1 221 221 ILE H H 1 8.826 0.005 . 1 . . . . . 220 ILE HN . 27022 1 1022 . 1 1 221 221 ILE C C 13 177.185 0.050 . 1 . . . . . 220 ILE C . 27022 1 1023 . 1 1 221 221 ILE CA C 13 64.429 0.050 . 1 . . . . . 220 ILE CA . 27022 1 1024 . 1 1 221 221 ILE CB C 13 36.732 0.050 . 1 . . . . . 220 ILE CB . 27022 1 1025 . 1 1 221 221 ILE N N 15 121.731 0.050 . 1 . . . . . 220 ILE N . 27022 1 1026 . 1 1 222 222 GLN H H 1 6.465 0.005 . 1 . . . . . 221 GLN HN . 27022 1 1027 . 1 1 222 222 GLN C C 13 176.259 0.050 . 1 . . . . . 221 GLN C . 27022 1 1028 . 1 1 222 222 GLN CA C 13 55.950 0.050 . 1 . . . . . 221 GLN CA . 27022 1 1029 . 1 1 222 222 GLN CB C 13 26.985 0.050 . 1 . . . . . 221 GLN CB . 27022 1 1030 . 1 1 222 222 GLN N N 15 114.856 0.050 . 1 . . . . . 221 GLN N . 27022 1 1031 . 1 1 223 223 LEU H H 1 7.417 0.005 . 1 . . . . . 222 LEU HN . 27022 1 1032 . 1 1 223 223 LEU C C 13 176.291 0.050 . 1 . . . . . 222 LEU C . 27022 1 1033 . 1 1 223 223 LEU CA C 13 54.192 0.050 . 1 . . . . . 222 LEU CA . 27022 1 1034 . 1 1 223 223 LEU CB C 13 39.951 0.050 . 1 . . . . . 222 LEU CB . 27022 1 1035 . 1 1 223 223 LEU N N 15 118.202 0.050 . 1 . . . . . 222 LEU N . 27022 1 1036 . 1 1 224 224 ILE H H 1 6.655 0.005 . 1 . . . . . 223 ILE HN . 27022 1 1037 . 1 1 224 224 ILE C C 13 177.016 0.050 . 1 . . . . . 223 ILE C . 27022 1 1038 . 1 1 224 224 ILE CA C 13 65.075 0.050 . 1 . . . . . 223 ILE CA . 27022 1 1039 . 1 1 224 224 ILE CB C 13 36.941 0.050 . 1 . . . . . 223 ILE CB . 27022 1 1040 . 1 1 224 224 ILE N N 15 117.704 0.050 . 1 . . . . . 223 ILE N . 27022 1 1041 . 1 1 225 225 ASN H H 1 9.048 0.005 . 1 . . . . . 224 ASN HN . 27022 1 1042 . 1 1 225 225 ASN C C 13 178.149 0.050 . 1 . . . . . 224 ASN C . 27022 1 1043 . 1 1 225 225 ASN CA C 13 57.683 0.050 . 1 . . . . . 224 ASN CA . 27022 1 1044 . 1 1 225 225 ASN CB C 13 37.876 0.050 . 1 . . . . . 224 ASN CB . 27022 1 1045 . 1 1 225 225 ASN N N 15 118.419 0.050 . 1 . . . . . 224 ASN N . 27022 1 1046 . 1 1 226 226 ASN H H 1 8.459 0.005 . 1 . . . . . 225 ASN HN . 27022 1 1047 . 1 1 226 226 ASN C C 13 178.987 0.050 . 1 . . . . . 225 ASN C . 27022 1 1048 . 1 1 226 226 ASN CA C 13 54.461 0.050 . 1 . . . . . 225 ASN CA . 27022 1 1049 . 1 1 226 226 ASN CB C 13 36.813 0.050 . 1 . . . . . 225 ASN CB . 27022 1 1050 . 1 1 226 226 ASN N N 15 114.662 0.050 . 1 . . . . . 225 ASN N . 27022 1 1051 . 1 1 227 227 MET H H 1 7.549 0.005 . 1 . . . . . 226 MET HN . 27022 1 1052 . 1 1 227 227 MET C C 13 179.041 0.050 . 1 . . . . . 226 MET C . 27022 1 1053 . 1 1 227 227 MET CA C 13 59.763 0.050 . 1 . . . . . 226 MET CA . 27022 1 1054 . 1 1 227 227 MET CB C 13 32.793 0.050 . 1 . . . . . 226 MET CB . 27022 1 1055 . 1 1 227 227 MET N N 15 120.807 0.050 . 1 . . . . . 226 MET N . 27022 1 1056 . 1 1 228 228 LEU H H 1 7.794 0.005 . 1 . . . . . 227 LEU HN . 27022 1 1057 . 1 1 228 228 LEU C C 13 176.914 0.050 . 1 . . . . . 227 LEU C . 27022 1 1058 . 1 1 228 228 LEU CA C 13 56.388 0.050 . 1 . . . . . 227 LEU CA . 27022 1 1059 . 1 1 228 228 LEU CB C 13 40.923 0.050 . 1 . . . . . 227 LEU CB . 27022 1 1060 . 1 1 228 228 LEU N N 15 117.272 0.050 . 1 . . . . . 227 LEU N . 27022 1 1061 . 1 1 229 229 ASP H H 1 7.205 0.005 . 1 . . . . . 228 ASP HN . 27022 1 1062 . 1 1 229 229 ASP C C 13 175.557 0.050 . 1 . . . . . 228 ASP C . 27022 1 1063 . 1 1 229 229 ASP CA C 13 55.162 0.050 . 1 . . . . . 228 ASP CA . 27022 1 1064 . 1 1 229 229 ASP CB C 13 40.864 0.050 . 1 . . . . . 228 ASP CB . 27022 1 1065 . 1 1 229 229 ASP N N 15 116.259 0.050 . 1 . . . . . 228 ASP N . 27022 1 1066 . 1 1 230 230 LYS H H 1 7.654 0.005 . 1 . . . . . 229 LYS HN . 27022 1 1067 . 1 1 230 230 LYS C C 13 176.831 0.050 . 1 . . . . . 229 LYS C . 27022 1 1068 . 1 1 230 230 LYS CA C 13 55.304 0.050 . 1 . . . . . 229 LYS CA . 27022 1 1069 . 1 1 230 230 LYS CB C 13 34.511 0.050 . 1 . . . . . 229 LYS CB . 27022 1 1070 . 1 1 230 230 LYS N N 15 116.654 0.050 . 1 . . . . . 229 LYS N . 27022 1 1071 . 1 1 231 231 VAL H H 1 6.852 0.005 . 1 . . . . . 230 VAL HN . 27022 1 1072 . 1 1 231 231 VAL C C 13 173.355 0.050 . 1 . . . . . 230 VAL C . 27022 1 1073 . 1 1 231 231 VAL CA C 13 58.945 0.050 . 1 . . . . . 230 VAL CA . 27022 1 1074 . 1 1 231 231 VAL CB C 13 31.381 0.050 . 1 . . . . . 230 VAL CB . 27022 1 1075 . 1 1 231 231 VAL N N 15 108.844 0.050 . 1 . . . . . 230 VAL N . 27022 1 1076 . 1 1 232 232 ASN H H 1 9.284 0.005 . 1 . . . . . 231 ASN HN . 27022 1 1077 . 1 1 232 232 ASN C C 13 174.552 0.050 . 1 . . . . . 231 ASN C . 27022 1 1078 . 1 1 232 232 ASN CA C 13 55.231 0.050 . 1 . . . . . 231 ASN CA . 27022 1 1079 . 1 1 232 232 ASN CB C 13 41.840 0.050 . 1 . . . . . 231 ASN CB . 27022 1 1080 . 1 1 232 232 ASN N N 15 113.906 0.050 . 1 . . . . . 231 ASN N . 27022 1 1081 . 1 1 233 233 GLU H H 1 7.920 0.005 . 1 . . . . . 232 GLU HN . 27022 1 1082 . 1 1 233 233 GLU C C 13 174.349 0.050 . 1 . . . . . 232 GLU C . 27022 1 1083 . 1 1 233 233 GLU CA C 13 55.626 0.050 . 1 . . . . . 232 GLU CA . 27022 1 1084 . 1 1 233 233 GLU CB C 13 35.962 0.050 . 1 . . . . . 232 GLU CB . 27022 1 1085 . 1 1 233 233 GLU N N 15 117.683 0.050 . 1 . . . . . 232 GLU N . 27022 1 1086 . 1 1 234 234 MET H H 1 8.546 0.005 . 1 . . . . . 233 MET HN . 27022 1 1087 . 1 1 234 234 MET C C 13 175.345 0.050 . 1 . . . . . 233 MET C . 27022 1 1088 . 1 1 234 234 MET CA C 13 54.187 0.050 . 1 . . . . . 233 MET CA . 27022 1 1089 . 1 1 234 234 MET CB C 13 36.719 0.050 . 1 . . . . . 233 MET CB . 27022 1 1090 . 1 1 234 234 MET N N 15 119.156 0.050 . 1 . . . . . 233 MET N . 27022 1 1091 . 1 1 235 235 ILE H H 1 8.557 0.005 . 1 . . . . . 234 ILE HN . 27022 1 1092 . 1 1 235 235 ILE C C 13 173.966 0.050 . 1 . . . . . 234 ILE C . 27022 1 1093 . 1 1 235 235 ILE CA C 13 59.806 0.050 . 1 . . . . . 234 ILE CA . 27022 1 1094 . 1 1 235 235 ILE CB C 13 39.430 0.050 . 1 . . . . . 234 ILE CB . 27022 1 1095 . 1 1 235 235 ILE N N 15 126.174 0.050 . 1 . . . . . 234 ILE N . 27022 1 1096 . 1 1 236 236 ILE H H 1 7.754 0.005 . 1 . . . . . 235 ILE HN . 27022 1 1097 . 1 1 236 236 ILE C C 13 174.559 0.050 . 1 . . . . . 235 ILE C . 27022 1 1098 . 1 1 236 236 ILE CA C 13 58.977 0.050 . 1 . . . . . 235 ILE CA . 27022 1 1099 . 1 1 236 236 ILE CB C 13 36.592 0.050 . 1 . . . . . 235 ILE CB . 27022 1 1100 . 1 1 236 236 ILE N N 15 127.377 0.050 . 1 . . . . . 235 ILE N . 27022 1 1101 . 1 1 237 237 GLY H H 1 8.703 0.005 . 1 . . . . . 236 GLY HN . 27022 1 1102 . 1 1 237 237 GLY C C 13 174.205 0.050 . 1 . . . . . 236 GLY C . 27022 1 1103 . 1 1 237 237 GLY CA C 13 43.563 0.050 . 1 . . . . . 236 GLY CA . 27022 1 1104 . 1 1 237 237 GLY N N 15 110.248 0.050 . 1 . . . . . 236 GLY N . 27022 1 1105 . 1 1 238 238 GLY H H 1 8.207 0.005 . 1 . . . . . 237 GLY HN . 27022 1 1106 . 1 1 238 238 GLY C C 13 175.300 0.050 . 1 . . . . . 237 GLY C . 27022 1 1107 . 1 1 238 238 GLY CA C 13 47.017 0.050 . 1 . . . . . 237 GLY CA . 27022 1 1108 . 1 1 238 238 GLY N N 15 107.697 0.050 . 1 . . . . . 237 GLY N . 27022 1 1109 . 1 1 239 239 GLY H H 1 8.073 0.005 . 1 . . . . . 238 GLY HN . 27022 1 1110 . 1 1 239 239 GLY C C 13 173.624 0.050 . 1 . . . . . 238 GLY C . 27022 1 1111 . 1 1 239 239 GLY CA C 13 45.898 0.050 . 1 . . . . . 238 GLY CA . 27022 1 1112 . 1 1 239 239 GLY N N 15 113.113 0.050 . 1 . . . . . 238 GLY N . 27022 1 1113 . 1 1 240 240 MET H H 1 7.025 0.005 . 1 . . . . . 239 MET HN . 27022 1 1114 . 1 1 240 240 MET C C 13 176.205 0.050 . 1 . . . . . 239 MET C . 27022 1 1115 . 1 1 240 240 MET CA C 13 56.133 0.050 . 1 . . . . . 239 MET CA . 27022 1 1116 . 1 1 240 240 MET CB C 13 31.767 0.050 . 1 . . . . . 239 MET CB . 27022 1 1117 . 1 1 240 240 MET N N 15 116.869 0.050 . 1 . . . . . 239 MET N . 27022 1 1118 . 1 1 241 241 ALA H H 1 5.985 0.005 . 1 . . . . . 240 ALA HN . 27022 1 1119 . 1 1 241 241 ALA C C 13 178.723 0.050 . 1 . . . . . 240 ALA C . 27022 1 1120 . 1 1 241 241 ALA CA C 13 54.085 0.050 . 1 . . . . . 240 ALA CA . 27022 1 1121 . 1 1 241 241 ALA CB C 13 18.883 0.050 . 1 . . . . . 240 ALA CB . 27022 1 1122 . 1 1 241 241 ALA N N 15 112.156 0.050 . 1 . . . . . 240 ALA N . 27022 1 1123 . 1 1 242 242 PHE H H 1 6.504 0.005 . 1 . . . . . 241 PHE HN . 27022 1 1124 . 1 1 242 242 PHE C C 13 176.703 0.050 . 1 . . . . . 241 PHE C . 27022 1 1125 . 1 1 242 242 PHE CA C 13 62.673 0.050 . 1 . . . . . 241 PHE CA . 27022 1 1126 . 1 1 242 242 PHE CB C 13 36.307 0.050 . 1 . . . . . 241 PHE CB . 27022 1 1127 . 1 1 242 242 PHE N N 15 113.190 0.050 . 1 . . . . . 241 PHE N . 27022 1 1128 . 1 1 243 243 THR C C 13 174.842 0.050 . 1 . . . . . 242 THR C . 27022 1 1129 . 1 1 243 243 THR CA C 13 67.771 0.050 . 1 . . . . . 242 THR CA . 27022 1 1130 . 1 1 243 243 THR CB C 13 68.872 0.050 . 1 . . . . . 242 THR CB . 27022 1 1131 . 1 1 244 244 PHE H H 1 6.611 0.005 . 1 . . . . . 243 PHE HN . 27022 1 1132 . 1 1 244 244 PHE C C 13 177.331 0.050 . 1 . . . . . 243 PHE C . 27022 1 1133 . 1 1 244 244 PHE CA C 13 61.321 0.050 . 1 . . . . . 243 PHE CA . 27022 1 1134 . 1 1 244 244 PHE CB C 13 39.483 0.050 . 1 . . . . . 243 PHE CB . 27022 1 1135 . 1 1 244 244 PHE N N 15 116.142 0.050 . 1 . . . . . 243 PHE N . 27022 1 1136 . 1 1 245 245 LEU H H 1 8.138 0.005 . 1 . . . . . 244 LEU HN . 27022 1 1137 . 1 1 245 245 LEU C C 13 180.139 0.050 . 1 . . . . . 244 LEU C . 27022 1 1138 . 1 1 245 245 LEU CA C 13 57.264 0.050 . 1 . . . . . 244 LEU CA . 27022 1 1139 . 1 1 245 245 LEU CB C 13 41.444 0.050 . 1 . . . . . 244 LEU CB . 27022 1 1140 . 1 1 245 245 LEU N N 15 118.558 0.050 . 1 . . . . . 244 LEU N . 27022 1 1141 . 1 1 246 246 LYS H H 1 8.569 0.005 . 1 . . . . . 245 LYS HN . 27022 1 1142 . 1 1 246 246 LYS C C 13 178.040 0.050 . 1 . . . . . 245 LYS C . 27022 1 1143 . 1 1 246 246 LYS CA C 13 58.808 0.050 . 1 . . . . . 245 LYS CA . 27022 1 1144 . 1 1 246 246 LYS CB C 13 31.472 0.050 . 1 . . . . . 245 LYS CB . 27022 1 1145 . 1 1 246 246 LYS N N 15 121.626 0.050 . 1 . . . . . 245 LYS N . 27022 1 1146 . 1 1 247 247 VAL H H 1 6.876 0.005 . 1 . . . . . 246 VAL HN . 27022 1 1147 . 1 1 247 247 VAL C C 13 178.129 0.050 . 1 . . . . . 246 VAL C . 27022 1 1148 . 1 1 247 247 VAL CA C 13 65.294 0.050 . 1 . . . . . 246 VAL CA . 27022 1 1149 . 1 1 247 247 VAL CB C 13 32.035 0.050 . 1 . . . . . 246 VAL CB . 27022 1 1150 . 1 1 247 247 VAL N N 15 116.615 0.050 . 1 . . . . . 246 VAL N . 27022 1 1151 . 1 1 248 248 LEU H H 1 8.804 0.005 . 1 . . . . . 247 LEU HN . 27022 1 1152 . 1 1 248 248 LEU C C 13 178.728 0.050 . 1 . . . . . 247 LEU C . 27022 1 1153 . 1 1 248 248 LEU CA C 13 56.675 0.050 . 1 . . . . . 247 LEU CA . 27022 1 1154 . 1 1 248 248 LEU CB C 13 41.327 0.050 . 1 . . . . . 247 LEU CB . 27022 1 1155 . 1 1 248 248 LEU N N 15 116.454 0.050 . 1 . . . . . 247 LEU N . 27022 1 1156 . 1 1 249 249 ASN H H 1 7.510 0.005 . 1 . . . . . 248 ASN HN . 27022 1 1157 . 1 1 249 249 ASN C C 13 174.444 0.050 . 1 . . . . . 248 ASN C . 27022 1 1158 . 1 1 249 249 ASN CA C 13 52.736 0.050 . 1 . . . . . 248 ASN CA . 27022 1 1159 . 1 1 249 249 ASN CB C 13 39.645 0.050 . 1 . . . . . 248 ASN CB . 27022 1 1160 . 1 1 249 249 ASN N N 15 113.026 0.050 . 1 . . . . . 248 ASN N . 27022 1 1161 . 1 1 250 250 ASN H H 1 7.217 0.005 . 1 . . . . . 249 ASN HN . 27022 1 1162 . 1 1 250 250 ASN C C 13 174.711 0.050 . 1 . . . . . 249 ASN C . 27022 1 1163 . 1 1 250 250 ASN CA C 13 53.770 0.050 . 1 . . . . . 249 ASN CA . 27022 1 1164 . 1 1 250 250 ASN CB C 13 36.652 0.050 . 1 . . . . . 249 ASN CB . 27022 1 1165 . 1 1 250 250 ASN N N 15 117.141 0.050 . 1 . . . . . 249 ASN N . 27022 1 1166 . 1 1 251 251 MET H H 1 7.026 0.005 . 1 . . . . . 250 MET HN . 27022 1 1167 . 1 1 251 251 MET C C 13 176.185 0.050 . 1 . . . . . 250 MET C . 27022 1 1168 . 1 1 251 251 MET CA C 13 56.066 0.050 . 1 . . . . . 250 MET CA . 27022 1 1169 . 1 1 251 251 MET CB C 13 32.989 0.050 . 1 . . . . . 250 MET CB . 27022 1 1170 . 1 1 251 251 MET N N 15 118.725 0.050 . 1 . . . . . 250 MET N . 27022 1 1171 . 1 1 252 252 GLU H H 1 8.468 0.005 . 1 . . . . . 251 GLU HN . 27022 1 1172 . 1 1 252 252 GLU C C 13 177.416 0.050 . 1 . . . . . 251 GLU C . 27022 1 1173 . 1 1 252 252 GLU CA C 13 55.595 0.050 . 1 . . . . . 251 GLU CA . 27022 1 1174 . 1 1 252 252 GLU CB C 13 28.211 0.050 . 1 . . . . . 251 GLU CB . 27022 1 1175 . 1 1 252 252 GLU N N 15 126.386 0.050 . 1 . . . . . 251 GLU N . 27022 1 1176 . 1 1 253 253 ILE H H 1 8.271 0.005 . 1 . . . . . 252 ILE HN . 27022 1 1177 . 1 1 253 253 ILE C C 13 176.611 0.050 . 1 . . . . . 252 ILE C . 27022 1 1178 . 1 1 253 253 ILE CA C 13 60.452 0.050 . 1 . . . . . 252 ILE CA . 27022 1 1179 . 1 1 253 253 ILE CB C 13 38.010 0.050 . 1 . . . . . 252 ILE CB . 27022 1 1180 . 1 1 253 253 ILE N N 15 117.173 0.050 . 1 . . . . . 252 ILE N . 27022 1 1181 . 1 1 254 254 GLY H H 1 8.634 0.005 . 1 . . . . . 253 GLY HN . 27022 1 1182 . 1 1 254 254 GLY C C 13 176.307 0.050 . 1 . . . . . 253 GLY C . 27022 1 1183 . 1 1 254 254 GLY CA C 13 46.552 0.050 . 1 . . . . . 253 GLY CA . 27022 1 1184 . 1 1 254 254 GLY N N 15 119.132 0.050 . 1 . . . . . 253 GLY N . 27022 1 1185 . 1 1 255 255 THR H H 1 9.185 0.005 . 1 . . . . . 254 THR HN . 27022 1 1186 . 1 1 255 255 THR C C 13 174.311 0.050 . 1 . . . . . 254 THR C . 27022 1 1187 . 1 1 255 255 THR CA C 13 60.232 0.050 . 1 . . . . . 254 THR CA . 27022 1 1188 . 1 1 255 255 THR CB C 13 66.514 0.050 . 1 . . . . . 254 THR CB . 27022 1 1189 . 1 1 255 255 THR N N 15 119.691 0.050 . 1 . . . . . 254 THR N . 27022 1 1190 . 1 1 256 256 SER H H 1 7.477 0.005 . 1 . . . . . 255 SER HN . 27022 1 1191 . 1 1 256 256 SER C C 13 171.595 0.050 . 1 . . . . . 255 SER C . 27022 1 1192 . 1 1 256 256 SER CA C 13 58.837 0.050 . 1 . . . . . 255 SER CA . 27022 1 1193 . 1 1 256 256 SER CB C 13 62.622 0.050 . 1 . . . . . 255 SER CB . 27022 1 1194 . 1 1 256 256 SER N N 15 114.954 0.050 . 1 . . . . . 255 SER N . 27022 1 1195 . 1 1 257 257 LEU H H 1 7.750 0.005 . 1 . . . . . 256 LEU HN . 27022 1 1196 . 1 1 257 257 LEU C C 13 177.138 0.050 . 1 . . . . . 256 LEU C . 27022 1 1197 . 1 1 257 257 LEU CA C 13 56.374 0.050 . 1 . . . . . 256 LEU CA . 27022 1 1198 . 1 1 257 257 LEU CB C 13 41.183 0.050 . 1 . . . . . 256 LEU CB . 27022 1 1199 . 1 1 257 257 LEU N N 15 121.197 0.050 . 1 . . . . . 256 LEU N . 27022 1 1200 . 1 1 258 258 PHE H H 1 8.210 0.005 . 1 . . . . . 257 PHE HN . 27022 1 1201 . 1 1 258 258 PHE C C 13 172.511 0.050 . 1 . . . . . 257 PHE C . 27022 1 1202 . 1 1 258 258 PHE CA C 13 57.008 0.050 . 1 . . . . . 257 PHE CA . 27022 1 1203 . 1 1 258 258 PHE CB C 13 41.561 0.050 . 1 . . . . . 257 PHE CB . 27022 1 1204 . 1 1 258 258 PHE N N 15 121.930 0.050 . 1 . . . . . 257 PHE N . 27022 1 1205 . 1 1 259 259 ASP H H 1 6.713 0.005 . 1 . . . . . 258 ASP HN . 27022 1 1206 . 1 1 259 259 ASP C C 13 173.514 0.050 . 1 . . . . . 258 ASP C . 27022 1 1207 . 1 1 259 259 ASP CA C 13 52.089 0.050 . 1 . . . . . 258 ASP CA . 27022 1 1208 . 1 1 259 259 ASP CB C 13 44.087 0.050 . 1 . . . . . 258 ASP CB . 27022 1 1209 . 1 1 259 259 ASP N N 15 127.267 0.050 . 1 . . . . . 258 ASP N . 27022 1 1210 . 1 1 260 260 GLU H H 1 8.506 0.005 . 1 . . . . . 259 GLU HN . 27022 1 1211 . 1 1 260 260 GLU C C 13 178.126 0.050 . 1 . . . . . 259 GLU C . 27022 1 1212 . 1 1 260 260 GLU CA C 13 58.678 0.050 . 1 . . . . . 259 GLU CA . 27022 1 1213 . 1 1 260 260 GLU CB C 13 28.762 0.050 . 1 . . . . . 259 GLU CB . 27022 1 1214 . 1 1 260 260 GLU N N 15 126.112 0.050 . 1 . . . . . 259 GLU N . 27022 1 1215 . 1 1 261 261 GLU H H 1 7.682 0.005 . 1 . . . . . 260 GLU HN . 27022 1 1216 . 1 1 261 261 GLU C C 13 180.468 0.050 . 1 . . . . . 260 GLU C . 27022 1 1217 . 1 1 261 261 GLU CA C 13 58.013 0.050 . 1 . . . . . 260 GLU CA . 27022 1 1218 . 1 1 261 261 GLU CB C 13 27.779 0.050 . 1 . . . . . 260 GLU CB . 27022 1 1219 . 1 1 261 261 GLU N N 15 118.570 0.050 . 1 . . . . . 260 GLU N . 27022 1 1220 . 1 1 262 262 GLY H H 1 8.729 0.005 . 1 . . . . . 261 GLY HN . 27022 1 1221 . 1 1 262 262 GLY C C 13 175.020 0.050 . 1 . . . . . 261 GLY C . 27022 1 1222 . 1 1 262 262 GLY CA C 13 46.318 0.050 . 1 . . . . . 261 GLY CA . 27022 1 1223 . 1 1 262 262 GLY N N 15 112.108 0.050 . 1 . . . . . 261 GLY N . 27022 1 1224 . 1 1 263 263 ALA H H 1 7.683 0.005 . 1 . . . . . 262 ALA HN . 27022 1 1225 . 1 1 263 263 ALA C C 13 179.386 0.050 . 1 . . . . . 262 ALA C . 27022 1 1226 . 1 1 263 263 ALA CA C 13 54.287 0.050 . 1 . . . . . 262 ALA CA . 27022 1 1227 . 1 1 263 263 ALA CB C 13 17.328 0.050 . 1 . . . . . 262 ALA CB . 27022 1 1228 . 1 1 263 263 ALA N N 15 121.983 0.050 . 1 . . . . . 262 ALA N . 27022 1 1229 . 1 1 264 264 LYS H H 1 7.081 0.005 . 1 . . . . . 263 LYS HN . 27022 1 1230 . 1 1 264 264 LYS C C 13 178.172 0.050 . 1 . . . . . 263 LYS C . 27022 1 1231 . 1 1 264 264 LYS CA C 13 57.840 0.050 . 1 . . . . . 263 LYS CA . 27022 1 1232 . 1 1 264 264 LYS CB C 13 31.992 0.050 . 1 . . . . . 263 LYS CB . 27022 1 1233 . 1 1 264 264 LYS N N 15 113.713 0.050 . 1 . . . . . 263 LYS N . 27022 1 1234 . 1 1 265 265 ILE H H 1 7.324 0.005 . 1 . . . . . 264 ILE HN . 27022 1 1235 . 1 1 265 265 ILE C C 13 176.435 0.050 . 1 . . . . . 264 ILE C . 27022 1 1236 . 1 1 265 265 ILE CA C 13 60.527 0.050 . 1 . . . . . 264 ILE CA . 27022 1 1237 . 1 1 265 265 ILE CB C 13 38.423 0.050 . 1 . . . . . 264 ILE CB . 27022 1 1238 . 1 1 265 265 ILE N N 15 109.730 0.050 . 1 . . . . . 264 ILE N . 27022 1 1239 . 1 1 266 266 VAL H H 1 6.667 0.005 . 1 . . . . . 265 VAL HN . 27022 1 1240 . 1 1 266 266 VAL C C 13 177.141 0.050 . 1 . . . . . 265 VAL C . 27022 1 1241 . 1 1 266 266 VAL CA C 13 66.635 0.050 . 1 . . . . . 265 VAL CA . 27022 1 1242 . 1 1 266 266 VAL CB C 13 31.070 0.050 . 1 . . . . . 265 VAL CB . 27022 1 1243 . 1 1 266 266 VAL N N 15 121.834 0.050 . 1 . . . . . 265 VAL N . 27022 1 1244 . 1 1 267 267 LYS H H 1 8.604 0.005 . 1 . . . . . 266 LYS HN . 27022 1 1245 . 1 1 267 267 LYS C C 13 179.513 0.050 . 1 . . . . . 266 LYS C . 27022 1 1246 . 1 1 267 267 LYS CA C 13 60.399 0.050 . 1 . . . . . 266 LYS CA . 27022 1 1247 . 1 1 267 267 LYS CB C 13 29.949 0.050 . 1 . . . . . 266 LYS CB . 27022 1 1248 . 1 1 267 267 LYS N N 15 118.342 0.050 . 1 . . . . . 266 LYS N . 27022 1 1249 . 1 1 268 268 ASP H H 1 7.793 0.005 . 1 . . . . . 267 ASP HN . 27022 1 1250 . 1 1 268 268 ASP C C 13 179.547 0.050 . 1 . . . . . 267 ASP C . 27022 1 1251 . 1 1 268 268 ASP CA C 13 56.933 0.050 . 1 . . . . . 267 ASP CA . 27022 1 1252 . 1 1 268 268 ASP CB C 13 39.332 0.050 . 1 . . . . . 267 ASP CB . 27022 1 1253 . 1 1 268 268 ASP N N 15 121.837 0.050 . 1 . . . . . 267 ASP N . 27022 1 1254 . 1 1 269 269 LEU H H 1 8.171 0.005 . 1 . . . . . 268 LEU HN . 27022 1 1255 . 1 1 269 269 LEU C C 13 178.908 0.050 . 1 . . . . . 268 LEU C . 27022 1 1256 . 1 1 269 269 LEU CA C 13 57.358 0.050 . 1 . . . . . 268 LEU CA . 27022 1 1257 . 1 1 269 269 LEU CB C 13 40.918 0.050 . 1 . . . . . 268 LEU CB . 27022 1 1258 . 1 1 269 269 LEU N N 15 121.775 0.050 . 1 . . . . . 268 LEU N . 27022 1 1259 . 1 1 270 270 MET H H 1 8.084 0.005 . 1 . . . . . 269 MET HN . 27022 1 1260 . 1 1 270 270 MET C C 13 180.525 0.050 . 1 . . . . . 269 MET C . 27022 1 1261 . 1 1 270 270 MET CA C 13 55.922 0.050 . 1 . . . . . 269 MET CA . 27022 1 1262 . 1 1 270 270 MET CB C 13 29.015 0.050 . 1 . . . . . 269 MET CB . 27022 1 1263 . 1 1 270 270 MET N N 15 116.242 0.050 . 1 . . . . . 269 MET N . 27022 1 1264 . 1 1 271 271 SER H H 1 8.148 0.005 . 1 . . . . . 270 SER HN . 27022 1 1265 . 1 1 271 271 SER C C 13 176.918 0.050 . 1 . . . . . 270 SER C . 27022 1 1266 . 1 1 271 271 SER CA C 13 60.941 0.050 . 1 . . . . . 270 SER CA . 27022 1 1267 . 1 1 271 271 SER CB C 13 62.052 0.050 . 1 . . . . . 270 SER CB . 27022 1 1268 . 1 1 271 271 SER N N 15 117.141 0.050 . 1 . . . . . 270 SER N . 27022 1 1269 . 1 1 272 272 LYS H H 1 7.970 0.005 . 1 . . . . . 271 LYS HN . 27022 1 1270 . 1 1 272 272 LYS C C 13 178.115 0.050 . 1 . . . . . 271 LYS C . 27022 1 1271 . 1 1 272 272 LYS CA C 13 59.285 0.050 . 1 . . . . . 271 LYS CA . 27022 1 1272 . 1 1 272 272 LYS CB C 13 30.264 0.050 . 1 . . . . . 271 LYS CB . 27022 1 1273 . 1 1 272 272 LYS N N 15 124.647 0.050 . 1 . . . . . 271 LYS N . 27022 1 1274 . 1 1 273 273 ALA H H 1 8.554 0.005 . 1 . . . . . 272 ALA HN . 27022 1 1275 . 1 1 273 273 ALA C C 13 179.156 0.050 . 1 . . . . . 272 ALA C . 27022 1 1276 . 1 1 273 273 ALA CA C 13 55.537 0.050 . 1 . . . . . 272 ALA CA . 27022 1 1277 . 1 1 273 273 ALA CB C 13 16.635 0.050 . 1 . . . . . 272 ALA CB . 27022 1 1278 . 1 1 273 273 ALA N N 15 122.050 0.050 . 1 . . . . . 272 ALA N . 27022 1 1279 . 1 1 274 274 GLU H H 1 7.841 0.005 . 1 . . . . . 273 GLU HN . 27022 1 1280 . 1 1 274 274 GLU C C 13 180.208 0.050 . 1 . . . . . 273 GLU C . 27022 1 1281 . 1 1 274 274 GLU CA C 13 58.907 0.050 . 1 . . . . . 273 GLU CA . 27022 1 1282 . 1 1 274 274 GLU CB C 13 28.691 0.050 . 1 . . . . . 273 GLU CB . 27022 1 1283 . 1 1 274 274 GLU N N 15 117.987 0.050 . 1 . . . . . 273 GLU N . 27022 1 1284 . 1 1 275 275 LYS H H 1 8.020 0.005 . 1 . . . . . 274 LYS HN . 27022 1 1285 . 1 1 275 275 LYS C C 13 178.340 0.050 . 1 . . . . . 274 LYS C . 27022 1 1286 . 1 1 275 275 LYS CA C 13 58.675 0.050 . 1 . . . . . 274 LYS CA . 27022 1 1287 . 1 1 275 275 LYS CB C 13 31.184 0.050 . 1 . . . . . 274 LYS CB . 27022 1 1288 . 1 1 275 275 LYS N N 15 121.821 0.050 . 1 . . . . . 274 LYS N . 27022 1 1289 . 1 1 276 276 ASN H H 1 8.093 0.005 . 1 . . . . . 275 ASN HN . 27022 1 1290 . 1 1 276 276 ASN C C 13 175.565 0.050 . 1 . . . . . 275 ASN C . 27022 1 1291 . 1 1 276 276 ASN CA C 13 52.407 0.050 . 1 . . . . . 275 ASN CA . 27022 1 1292 . 1 1 276 276 ASN CB C 13 37.882 0.050 . 1 . . . . . 275 ASN CB . 27022 1 1293 . 1 1 276 276 ASN N N 15 116.127 0.050 . 1 . . . . . 275 ASN N . 27022 1 1294 . 1 1 277 277 GLY H H 1 7.792 0.005 . 1 . . . . . 276 GLY HN . 27022 1 1295 . 1 1 277 277 GLY C C 13 174.682 0.050 . 1 . . . . . 276 GLY C . 27022 1 1296 . 1 1 277 277 GLY CA C 13 46.298 0.050 . 1 . . . . . 276 GLY CA . 27022 1 1297 . 1 1 277 277 GLY N N 15 111.418 0.050 . 1 . . . . . 276 GLY N . 27022 1 1298 . 1 1 278 278 VAL H H 1 8.581 0.005 . 1 . . . . . 277 VAL HN . 27022 1 1299 . 1 1 278 278 VAL C C 13 175.489 0.050 . 1 . . . . . 277 VAL C . 27022 1 1300 . 1 1 278 278 VAL CA C 13 60.426 0.050 . 1 . . . . . 277 VAL CA . 27022 1 1301 . 1 1 278 278 VAL CB C 13 31.673 0.050 . 1 . . . . . 277 VAL CB . 27022 1 1302 . 1 1 278 278 VAL N N 15 122.869 0.050 . 1 . . . . . 277 VAL N . 27022 1 1303 . 1 1 279 279 LYS H H 1 7.279 0.005 . 1 . . . . . 278 LYS HN . 27022 1 1304 . 1 1 279 279 LYS C C 13 175.878 0.050 . 1 . . . . . 278 LYS C . 27022 1 1305 . 1 1 279 279 LYS CA C 13 55.789 0.050 . 1 . . . . . 278 LYS CA . 27022 1 1306 . 1 1 279 279 LYS CB C 13 32.014 0.050 . 1 . . . . . 278 LYS CB . 27022 1 1307 . 1 1 279 279 LYS N N 15 128.395 0.050 . 1 . . . . . 278 LYS N . 27022 1 1308 . 1 1 280 280 ILE H H 1 8.807 0.005 . 1 . . . . . 279 ILE HN . 27022 1 1309 . 1 1 280 280 ILE C C 13 175.965 0.050 . 1 . . . . . 279 ILE C . 27022 1 1310 . 1 1 280 280 ILE CA C 13 58.394 0.050 . 1 . . . . . 279 ILE CA . 27022 1 1311 . 1 1 280 280 ILE CB C 13 36.544 0.050 . 1 . . . . . 279 ILE CB . 27022 1 1312 . 1 1 280 280 ILE N N 15 131.057 0.050 . 1 . . . . . 279 ILE N . 27022 1 1313 . 1 1 281 281 THR H H 1 8.949 0.005 . 1 . . . . . 280 THR HN . 27022 1 1314 . 1 1 281 281 THR C C 13 172.484 0.050 . 1 . . . . . 280 THR C . 27022 1 1315 . 1 1 281 281 THR CA C 13 62.588 0.050 . 1 . . . . . 280 THR CA . 27022 1 1316 . 1 1 281 281 THR CB C 13 68.907 0.050 . 1 . . . . . 280 THR CB . 27022 1 1317 . 1 1 281 281 THR N N 15 126.728 0.050 . 1 . . . . . 280 THR N . 27022 1 1318 . 1 1 282 282 LEU H H 1 7.936 0.005 . 1 . . . . . 281 LEU HN . 27022 1 1319 . 1 1 282 282 LEU C C 13 173.886 0.050 . 1 . . . . . 281 LEU C . 27022 1 1320 . 1 1 282 282 LEU CA C 13 51.743 0.050 . 1 . . . . . 281 LEU CA . 27022 1 1321 . 1 1 282 282 LEU CB C 13 42.605 0.050 . 1 . . . . . 281 LEU CB . 27022 1 1322 . 1 1 282 282 LEU N N 15 129.090 0.050 . 1 . . . . . 281 LEU N . 27022 1 1323 . 1 1 284 284 VAL C C 13 174.898 0.050 . 1 . . . . . 283 VAL C . 27022 1 1324 . 1 1 284 284 VAL CB C 13 35.523 0.050 . 1 . . . . . 283 VAL CB . 27022 1 1325 . 1 1 285 285 ASP H H 1 6.950 0.005 . 1 . . . . . 284 ASP HN . 27022 1 1326 . 1 1 285 285 ASP C C 13 173.856 0.050 . 1 . . . . . 284 ASP C . 27022 1 1327 . 1 1 285 285 ASP CA C 13 52.209 0.050 . 1 . . . . . 284 ASP CA . 27022 1 1328 . 1 1 285 285 ASP CB C 13 39.849 0.050 . 1 . . . . . 284 ASP CB . 27022 1 1329 . 1 1 285 285 ASP N N 15 119.881 0.050 . 1 . . . . . 284 ASP N . 27022 1 1330 . 1 1 286 286 PHE H H 1 8.477 0.005 . 1 . . . . . 285 PHE HN . 27022 1 1331 . 1 1 286 286 PHE C C 13 175.428 0.050 . 1 . . . . . 285 PHE C . 27022 1 1332 . 1 1 286 286 PHE CA C 13 57.561 0.050 . 1 . . . . . 285 PHE CA . 27022 1 1333 . 1 1 286 286 PHE CB C 13 43.417 0.050 . 1 . . . . . 285 PHE CB . 27022 1 1334 . 1 1 286 286 PHE N N 15 112.656 0.050 . 1 . . . . . 285 PHE N . 27022 1 1335 . 1 1 287 287 VAL H H 1 8.521 0.005 . 1 . . . . . 286 VAL HN . 27022 1 1336 . 1 1 287 287 VAL C C 13 176.284 0.050 . 1 . . . . . 286 VAL C . 27022 1 1337 . 1 1 287 287 VAL CA C 13 62.253 0.050 . 1 . . . . . 286 VAL CA . 27022 1 1338 . 1 1 287 287 VAL CB C 13 32.373 0.050 . 1 . . . . . 286 VAL CB . 27022 1 1339 . 1 1 287 287 VAL N N 15 125.993 0.050 . 1 . . . . . 286 VAL N . 27022 1 1340 . 1 1 288 288 THR H H 1 8.503 0.005 . 1 . . . . . 287 THR HN . 27022 1 1341 . 1 1 288 288 THR C C 13 173.254 0.050 . 1 . . . . . 287 THR C . 27022 1 1342 . 1 1 288 288 THR CA C 13 58.916 0.050 . 1 . . . . . 287 THR CA . 27022 1 1343 . 1 1 288 288 THR CB C 13 70.087 0.050 . 1 . . . . . 287 THR CB . 27022 1 1344 . 1 1 288 288 THR N N 15 119.889 0.050 . 1 . . . . . 287 THR N . 27022 1 1345 . 1 1 289 289 ALA H H 1 8.880 0.005 . 1 . . . . . 288 ALA HN . 27022 1 1346 . 1 1 289 289 ALA C C 13 177.742 0.050 . 1 . . . . . 288 ALA C . 27022 1 1347 . 1 1 289 289 ALA CA C 13 49.625 0.050 . 1 . . . . . 288 ALA CA . 27022 1 1348 . 1 1 289 289 ALA CB C 13 24.620 0.050 . 1 . . . . . 288 ALA CB . 27022 1 1349 . 1 1 289 289 ALA N N 15 120.923 0.050 . 1 . . . . . 288 ALA N . 27022 1 1350 . 1 1 290 290 ASP H H 1 7.802 0.005 . 1 . . . . . 289 ASP HN . 27022 1 1351 . 1 1 290 290 ASP C C 13 174.052 0.050 . 1 . . . . . 289 ASP C . 27022 1 1352 . 1 1 290 290 ASP CA C 13 53.260 0.050 . 1 . . . . . 289 ASP CA . 27022 1 1353 . 1 1 290 290 ASP CB C 13 37.979 0.050 . 1 . . . . . 289 ASP CB . 27022 1 1354 . 1 1 290 290 ASP N N 15 121.257 0.050 . 1 . . . . . 289 ASP N . 27022 1 1355 . 1 1 291 291 LYS H H 1 7.145 0.005 . 1 . . . . . 290 LYS HN . 27022 1 1356 . 1 1 291 291 LYS C C 13 173.465 0.050 . 1 . . . . . 290 LYS C . 27022 1 1357 . 1 1 291 291 LYS CA C 13 53.969 0.050 . 1 . . . . . 290 LYS CA . 27022 1 1358 . 1 1 291 291 LYS CB C 13 33.486 0.050 . 1 . . . . . 290 LYS CB . 27022 1 1359 . 1 1 291 291 LYS N N 15 114.637 0.050 . 1 . . . . . 290 LYS N . 27022 1 1360 . 1 1 292 292 PHE H H 1 8.649 0.005 . 1 . . . . . 291 PHE HN . 27022 1 1361 . 1 1 292 292 PHE C C 13 172.891 0.050 . 1 . . . . . 291 PHE C . 27022 1 1362 . 1 1 292 292 PHE CA C 13 56.489 0.050 . 1 . . . . . 291 PHE CA . 27022 1 1363 . 1 1 292 292 PHE CB C 13 35.783 0.050 . 1 . . . . . 291 PHE CB . 27022 1 1364 . 1 1 292 292 PHE N N 15 121.335 0.050 . 1 . . . . . 291 PHE N . 27022 1 1365 . 1 1 293 293 ASP H H 1 7.177 0.005 . 1 . . . . . 292 ASP HN . 27022 1 1366 . 1 1 293 293 ASP C C 13 173.012 0.050 . 1 . . . . . 292 ASP C . 27022 1 1367 . 1 1 293 293 ASP CA C 13 53.211 0.050 . 1 . . . . . 292 ASP CA . 27022 1 1368 . 1 1 293 293 ASP CB C 13 45.834 0.050 . 1 . . . . . 292 ASP CB . 27022 1 1369 . 1 1 293 293 ASP N N 15 126.249 0.050 . 1 . . . . . 292 ASP N . 27022 1 1370 . 1 1 294 294 GLU H H 1 6.655 0.005 . 1 . . . . . 293 GLU HN . 27022 1 1371 . 1 1 294 294 GLU C C 13 176.108 0.050 . 1 . . . . . 293 GLU C . 27022 1 1372 . 1 1 294 294 GLU CA C 13 58.494 0.050 . 1 . . . . . 293 GLU CA . 27022 1 1373 . 1 1 294 294 GLU CB C 13 28.358 0.050 . 1 . . . . . 293 GLU CB . 27022 1 1374 . 1 1 294 294 GLU N N 15 124.666 0.050 . 1 . . . . . 293 GLU N . 27022 1 1375 . 1 1 295 295 ASN H H 1 8.289 0.005 . 1 . . . . . 294 ASN HN . 27022 1 1376 . 1 1 295 295 ASN C C 13 174.485 0.050 . 1 . . . . . 294 ASN C . 27022 1 1377 . 1 1 295 295 ASN CA C 13 51.849 0.050 . 1 . . . . . 294 ASN CA . 27022 1 1378 . 1 1 295 295 ASN CB C 13 37.998 0.050 . 1 . . . . . 294 ASN CB . 27022 1 1379 . 1 1 295 295 ASN N N 15 115.485 0.050 . 1 . . . . . 294 ASN N . 27022 1 1380 . 1 1 296 296 ALA H H 1 6.981 0.005 . 1 . . . . . 295 ALA HN . 27022 1 1381 . 1 1 296 296 ALA C C 13 178.051 0.050 . 1 . . . . . 295 ALA C . 27022 1 1382 . 1 1 296 296 ALA CA C 13 52.197 0.050 . 1 . . . . . 295 ALA CA . 27022 1 1383 . 1 1 296 296 ALA CB C 13 20.337 0.050 . 1 . . . . . 295 ALA CB . 27022 1 1384 . 1 1 296 296 ALA N N 15 121.271 0.050 . 1 . . . . . 295 ALA N . 27022 1 1385 . 1 1 297 297 LYS H H 1 8.131 0.005 . 1 . . . . . 296 LYS HN . 27022 1 1386 . 1 1 297 297 LYS C C 13 176.327 0.050 . 1 . . . . . 296 LYS C . 27022 1 1387 . 1 1 297 297 LYS CA C 13 56.339 0.050 . 1 . . . . . 296 LYS CA . 27022 1 1388 . 1 1 297 297 LYS CB C 13 31.727 0.050 . 1 . . . . . 296 LYS CB . 27022 1 1389 . 1 1 297 297 LYS N N 15 122.022 0.050 . 1 . . . . . 296 LYS N . 27022 1 1390 . 1 1 298 298 THR H H 1 7.756 0.005 . 1 . . . . . 297 THR HN . 27022 1 1391 . 1 1 298 298 THR C C 13 176.202 0.050 . 1 . . . . . 297 THR C . 27022 1 1392 . 1 1 298 298 THR CA C 13 59.161 0.050 . 1 . . . . . 297 THR CA . 27022 1 1393 . 1 1 298 298 THR CB C 13 72.314 0.050 . 1 . . . . . 297 THR CB . 27022 1 1394 . 1 1 298 298 THR N N 15 109.427 0.050 . 1 . . . . . 297 THR N . 27022 1 1395 . 1 1 299 299 GLY H H 1 8.334 0.005 . 1 . . . . . 298 GLY HN . 27022 1 1396 . 1 1 299 299 GLY C C 13 174.384 0.050 . 1 . . . . . 298 GLY C . 27022 1 1397 . 1 1 299 299 GLY CA C 13 44.486 0.050 . 1 . . . . . 298 GLY CA . 27022 1 1398 . 1 1 299 299 GLY N N 15 111.050 0.050 . 1 . . . . . 298 GLY N . 27022 1 1399 . 1 1 300 300 GLN H H 1 8.372 0.005 . 1 . . . . . 299 GLN HN . 27022 1 1400 . 1 1 300 300 GLN C C 13 174.622 0.050 . 1 . . . . . 299 GLN C . 27022 1 1401 . 1 1 300 300 GLN CA C 13 54.000 0.050 . 1 . . . . . 299 GLN CA . 27022 1 1402 . 1 1 300 300 GLN CB C 13 31.865 0.050 . 1 . . . . . 299 GLN CB . 27022 1 1403 . 1 1 300 300 GLN N N 15 119.271 0.050 . 1 . . . . . 299 GLN N . 27022 1 1404 . 1 1 301 301 ALA H H 1 8.211 0.005 . 1 . . . . . 300 ALA HN . 27022 1 1405 . 1 1 301 301 ALA C C 13 175.585 0.050 . 1 . . . . . 300 ALA C . 27022 1 1406 . 1 1 301 301 ALA CA C 13 50.993 0.050 . 1 . . . . . 300 ALA CA . 27022 1 1407 . 1 1 301 301 ALA CB C 13 23.996 0.050 . 1 . . . . . 300 ALA CB . 27022 1 1408 . 1 1 301 301 ALA N N 15 121.832 0.050 . 1 . . . . . 300 ALA N . 27022 1 1409 . 1 1 302 302 THR H H 1 8.786 0.005 . 1 . . . . . 301 THR HN . 27022 1 1410 . 1 1 302 302 THR C C 13 174.838 0.050 . 1 . . . . . 301 THR C . 27022 1 1411 . 1 1 302 302 THR CA C 13 59.315 0.050 . 1 . . . . . 301 THR CA . 27022 1 1412 . 1 1 302 302 THR CB C 13 72.191 0.050 . 1 . . . . . 301 THR CB . 27022 1 1413 . 1 1 302 302 THR N N 15 111.082 0.050 . 1 . . . . . 301 THR N . 27022 1 1414 . 1 1 303 303 VAL H H 1 7.389 0.005 . 1 . . . . . 302 VAL HN . 27022 1 1415 . 1 1 303 303 VAL C C 13 176.970 0.050 . 1 . . . . . 302 VAL C . 27022 1 1416 . 1 1 303 303 VAL CA C 13 65.556 0.050 . 1 . . . . . 302 VAL CA . 27022 1 1417 . 1 1 303 303 VAL CB C 13 31.098 0.050 . 1 . . . . . 302 VAL CB . 27022 1 1418 . 1 1 303 303 VAL N N 15 119.670 0.050 . 1 . . . . . 302 VAL N . 27022 1 1419 . 1 1 304 304 ALA H H 1 7.928 0.005 . 1 . . . . . 303 ALA HN . 27022 1 1420 . 1 1 304 304 ALA C C 13 179.959 0.050 . 1 . . . . . 303 ALA C . 27022 1 1421 . 1 1 304 304 ALA CA C 13 53.837 0.050 . 1 . . . . . 303 ALA CA . 27022 1 1422 . 1 1 304 304 ALA CB C 13 17.870 0.050 . 1 . . . . . 303 ALA CB . 27022 1 1423 . 1 1 304 304 ALA N N 15 119.166 0.050 . 1 . . . . . 303 ALA N . 27022 1 1424 . 1 1 305 305 SER H H 1 8.162 0.005 . 1 . . . . . 304 SER HN . 27022 1 1425 . 1 1 305 305 SER C C 13 176.776 0.050 . 1 . . . . . 304 SER C . 27022 1 1426 . 1 1 305 305 SER CA C 13 60.035 0.050 . 1 . . . . . 304 SER CA . 27022 1 1427 . 1 1 305 305 SER CB C 13 63.361 0.050 . 1 . . . . . 304 SER CB . 27022 1 1428 . 1 1 305 305 SER N N 15 113.871 0.050 . 1 . . . . . 304 SER N . 27022 1 1429 . 1 1 306 306 GLY H H 1 7.843 0.005 . 1 . . . . . 305 GLY HN . 27022 1 1430 . 1 1 306 306 GLY C C 13 171.365 0.050 . 1 . . . . . 305 GLY C . 27022 1 1431 . 1 1 306 306 GLY CA C 13 45.073 0.050 . 1 . . . . . 305 GLY CA . 27022 1 1432 . 1 1 306 306 GLY N N 15 110.833 0.050 . 1 . . . . . 305 GLY N . 27022 1 1433 . 1 1 307 307 ILE H H 1 7.837 0.005 . 1 . . . . . 306 ILE HN . 27022 1 1434 . 1 1 307 307 ILE C C 13 173.010 0.050 . 1 . . . . . 306 ILE C . 27022 1 1435 . 1 1 307 307 ILE CA C 13 57.868 0.050 . 1 . . . . . 306 ILE CA . 27022 1 1436 . 1 1 307 307 ILE CB C 13 38.390 0.050 . 1 . . . . . 306 ILE CB . 27022 1 1437 . 1 1 307 307 ILE N N 15 121.892 0.050 . 1 . . . . . 306 ILE N . 27022 1 1438 . 1 1 308 308 PRO C C 13 175.048 0.050 . 1 . . . . . 307 PRO C . 27022 1 1439 . 1 1 308 308 PRO CA C 13 62.097 0.050 . 1 . . . . . 307 PRO CA . 27022 1 1440 . 1 1 308 308 PRO CB C 13 31.064 0.050 . 1 . . . . . 307 PRO CB . 27022 1 1441 . 1 1 309 309 ALA H H 1 7.996 0.005 . 1 . . . . . 308 ALA HN . 27022 1 1442 . 1 1 309 309 ALA C C 13 179.566 0.050 . 1 . . . . . 308 ALA C . 27022 1 1443 . 1 1 309 309 ALA CA C 13 53.224 0.050 . 1 . . . . . 308 ALA CA . 27022 1 1444 . 1 1 309 309 ALA CB C 13 17.229 0.050 . 1 . . . . . 308 ALA CB . 27022 1 1445 . 1 1 309 309 ALA N N 15 121.531 0.050 . 1 . . . . . 308 ALA N . 27022 1 1446 . 1 1 310 310 GLY H H 1 8.583 0.005 . 1 . . . . . 309 GLY HN . 27022 1 1447 . 1 1 310 310 GLY C C 13 173.879 0.050 . 1 . . . . . 309 GLY C . 27022 1 1448 . 1 1 310 310 GLY CA C 13 45.144 0.050 . 1 . . . . . 309 GLY CA . 27022 1 1449 . 1 1 310 310 GLY N N 15 109.297 0.050 . 1 . . . . . 309 GLY N . 27022 1 1450 . 1 1 311 311 TRP H H 1 8.348 0.005 . 1 . . . . . 310 TRP HN . 27022 1 1451 . 1 1 311 311 TRP C C 13 174.060 0.050 . 1 . . . . . 310 TRP C . 27022 1 1452 . 1 1 311 311 TRP CA C 13 56.263 0.050 . 1 . . . . . 310 TRP CA . 27022 1 1453 . 1 1 311 311 TRP CB C 13 29.095 0.050 . 1 . . . . . 310 TRP CB . 27022 1 1454 . 1 1 311 311 TRP N N 15 122.687 0.050 . 1 . . . . . 310 TRP N . 27022 1 1455 . 1 1 312 312 MET H H 1 8.917 0.005 . 1 . . . . . 311 MET HN . 27022 1 1456 . 1 1 312 312 MET C C 13 175.987 0.050 . 1 . . . . . 311 MET C . 27022 1 1457 . 1 1 312 312 MET CA C 13 52.898 0.050 . 1 . . . . . 311 MET CA . 27022 1 1458 . 1 1 312 312 MET CB C 13 35.733 0.050 . 1 . . . . . 311 MET CB . 27022 1 1459 . 1 1 312 312 MET N N 15 113.696 0.050 . 1 . . . . . 311 MET N . 27022 1 1460 . 1 1 313 313 GLY H H 1 8.397 0.005 . 1 . . . . . 312 GLY HN . 27022 1 1461 . 1 1 313 313 GLY C C 13 172.278 0.050 . 1 . . . . . 312 GLY C . 27022 1 1462 . 1 1 313 313 GLY CA C 13 44.754 0.050 . 1 . . . . . 312 GLY CA . 27022 1 1463 . 1 1 313 313 GLY N N 15 108.383 0.050 . 1 . . . . . 312 GLY N . 27022 1 1464 . 1 1 314 314 LEU H H 1 8.275 0.005 . 1 . . . . . 313 LEU HN . 27022 1 1465 . 1 1 314 314 LEU C C 13 174.675 0.050 . 1 . . . . . 313 LEU C . 27022 1 1466 . 1 1 314 314 LEU CA C 13 54.637 0.050 . 1 . . . . . 313 LEU CA . 27022 1 1467 . 1 1 314 314 LEU CB C 13 42.425 0.050 . 1 . . . . . 313 LEU CB . 27022 1 1468 . 1 1 314 314 LEU N N 15 125.813 0.050 . 1 . . . . . 313 LEU N . 27022 1 1469 . 1 1 315 315 ASP H H 1 8.353 0.005 . 1 . . . . . 314 ASP HN . 27022 1 1470 . 1 1 315 315 ASP C C 13 178.303 0.050 . 1 . . . . . 314 ASP C . 27022 1 1471 . 1 1 315 315 ASP CA C 13 53.642 0.050 . 1 . . . . . 314 ASP CA . 27022 1 1472 . 1 1 315 315 ASP CB C 13 43.450 0.050 . 1 . . . . . 314 ASP CB . 27022 1 1473 . 1 1 315 315 ASP N N 15 115.350 0.050 . 1 . . . . . 314 ASP N . 27022 1 1474 . 1 1 316 316 CYS H H 1 9.240 0.005 . 1 . . . . . 315 CYS HN . 27022 1 1475 . 1 1 316 316 CYS C C 13 172.230 0.050 . 1 . . . . . 315 CYS C . 27022 1 1476 . 1 1 316 316 CYS CA C 13 55.885 0.050 . 1 . . . . . 315 CYS CA . 27022 1 1477 . 1 1 316 316 CYS CB C 13 28.336 0.050 . 1 . . . . . 315 CYS CB . 27022 1 1478 . 1 1 316 316 CYS N N 15 120.951 0.050 . 1 . . . . . 315 CYS N . 27022 1 1479 . 1 1 317 317 GLY H H 1 6.581 0.005 . 1 . . . . . 316 GLY HN . 27022 1 1480 . 1 1 317 317 GLY C C 13 172.124 0.050 . 1 . . . . . 316 GLY C . 27022 1 1481 . 1 1 317 317 GLY CA C 13 44.184 0.050 . 1 . . . . . 316 GLY CA . 27022 1 1482 . 1 1 317 317 GLY N N 15 106.544 0.050 . 1 . . . . . 316 GLY N . 27022 1 1483 . 1 1 318 318 PRO C C 13 181.047 0.050 . 1 . . . . . 317 PRO C . 27022 1 1484 . 1 1 318 318 PRO CA C 13 64.124 0.050 . 1 . . . . . 317 PRO CA . 27022 1 1485 . 1 1 318 318 PRO CB C 13 31.213 0.050 . 1 . . . . . 317 PRO CB . 27022 1 1486 . 1 1 319 319 GLU H H 1 9.897 0.005 . 1 . . . . . 318 GLU HN . 27022 1 1487 . 1 1 319 319 GLU C C 13 180.602 0.050 . 1 . . . . . 318 GLU C . 27022 1 1488 . 1 1 319 319 GLU CA C 13 58.336 0.050 . 1 . . . . . 318 GLU CA . 27022 1 1489 . 1 1 319 319 GLU CB C 13 27.422 0.050 . 1 . . . . . 318 GLU CB . 27022 1 1490 . 1 1 319 319 GLU N N 15 122.743 0.050 . 1 . . . . . 318 GLU N . 27022 1 1491 . 1 1 320 320 SER H H 1 8.748 0.005 . 1 . . . . . 319 SER HN . 27022 1 1492 . 1 1 320 320 SER C C 13 174.695 0.050 . 1 . . . . . 319 SER C . 27022 1 1493 . 1 1 320 320 SER CA C 13 62.041 0.050 . 1 . . . . . 319 SER CA . 27022 1 1494 . 1 1 320 320 SER CB C 13 61.155 0.050 . 1 . . . . . 319 SER CB . 27022 1 1495 . 1 1 320 320 SER N N 15 120.408 0.050 . 1 . . . . . 319 SER N . 27022 1 1496 . 1 1 321 321 SER H H 1 7.899 0.005 . 1 . . . . . 320 SER HN . 27022 1 1497 . 1 1 321 321 SER C C 13 176.505 0.050 . 1 . . . . . 320 SER C . 27022 1 1498 . 1 1 321 321 SER CA C 13 62.614 0.050 . 1 . . . . . 320 SER CA . 27022 1 1499 . 1 1 321 321 SER CB C 13 61.564 0.050 . 1 . . . . . 320 SER CB . 27022 1 1500 . 1 1 321 321 SER N N 15 117.550 0.050 . 1 . . . . . 320 SER N . 27022 1 1501 . 1 1 322 322 LYS H H 1 7.109 0.005 . 1 . . . . . 321 LYS HN . 27022 1 1502 . 1 1 322 322 LYS C C 13 178.736 0.050 . 1 . . . . . 321 LYS C . 27022 1 1503 . 1 1 322 322 LYS CA C 13 59.252 0.050 . 1 . . . . . 321 LYS CA . 27022 1 1504 . 1 1 322 322 LYS CB C 13 31.248 0.050 . 1 . . . . . 321 LYS CB . 27022 1 1505 . 1 1 322 322 LYS N N 15 122.404 0.050 . 1 . . . . . 321 LYS N . 27022 1 1506 . 1 1 323 323 LYS H H 1 7.231 0.005 . 1 . . . . . 322 LYS HN . 27022 1 1507 . 1 1 323 323 LYS C C 13 180.997 0.050 . 1 . . . . . 322 LYS C . 27022 1 1508 . 1 1 323 323 LYS CA C 13 58.199 0.050 . 1 . . . . . 322 LYS CA . 27022 1 1509 . 1 1 323 323 LYS CB C 13 30.464 0.050 . 1 . . . . . 322 LYS CB . 27022 1 1510 . 1 1 323 323 LYS N N 15 119.994 0.050 . 1 . . . . . 322 LYS N . 27022 1 1511 . 1 1 324 324 TYR H H 1 8.970 0.005 . 1 . . . . . 323 TYR HN . 27022 1 1512 . 1 1 324 324 TYR C C 13 177.775 0.050 . 1 . . . . . 323 TYR C . 27022 1 1513 . 1 1 324 324 TYR CA C 13 56.297 0.050 . 1 . . . . . 323 TYR CA . 27022 1 1514 . 1 1 324 324 TYR CB C 13 35.312 0.050 . 1 . . . . . 323 TYR CB . 27022 1 1515 . 1 1 324 324 TYR N N 15 120.346 0.050 . 1 . . . . . 323 TYR N . 27022 1 1516 . 1 1 325 325 ALA H H 1 8.011 0.005 . 1 . . . . . 324 ALA HN . 27022 1 1517 . 1 1 325 325 ALA C C 13 179.814 0.050 . 1 . . . . . 324 ALA C . 27022 1 1518 . 1 1 325 325 ALA CA C 13 54.910 0.050 . 1 . . . . . 324 ALA CA . 27022 1 1519 . 1 1 325 325 ALA CB C 13 16.893 0.050 . 1 . . . . . 324 ALA CB . 27022 1 1520 . 1 1 325 325 ALA N N 15 120.790 0.050 . 1 . . . . . 324 ALA N . 27022 1 1521 . 1 1 326 326 GLU H H 1 7.620 0.005 . 1 . . . . . 325 GLU HN . 27022 1 1522 . 1 1 326 326 GLU C C 13 178.841 0.050 . 1 . . . . . 325 GLU C . 27022 1 1523 . 1 1 326 326 GLU CA C 13 59.053 0.050 . 1 . . . . . 325 GLU CA . 27022 1 1524 . 1 1 326 326 GLU CB C 13 28.575 0.050 . 1 . . . . . 325 GLU CB . 27022 1 1525 . 1 1 326 326 GLU N N 15 118.343 0.050 . 1 . . . . . 325 GLU N . 27022 1 1526 . 1 1 327 327 ALA H H 1 6.848 0.005 . 1 . . . . . 326 ALA HN . 27022 1 1527 . 1 1 327 327 ALA C C 13 179.855 0.050 . 1 . . . . . 326 ALA C . 27022 1 1528 . 1 1 327 327 ALA CA C 13 54.687 0.050 . 1 . . . . . 326 ALA CA . 27022 1 1529 . 1 1 327 327 ALA CB C 13 16.651 0.050 . 1 . . . . . 326 ALA CB . 27022 1 1530 . 1 1 327 327 ALA N N 15 120.735 0.050 . 1 . . . . . 326 ALA N . 27022 1 1531 . 1 1 328 328 VAL H H 1 7.640 0.005 . 1 . . . . . 327 VAL HN . 27022 1 1532 . 1 1 328 328 VAL C C 13 177.538 0.050 . 1 . . . . . 327 VAL C . 27022 1 1533 . 1 1 328 328 VAL CA C 13 66.073 0.050 . 1 . . . . . 327 VAL CA . 27022 1 1534 . 1 1 328 328 VAL CB C 13 29.885 0.050 . 1 . . . . . 327 VAL CB . 27022 1 1535 . 1 1 328 328 VAL N N 15 119.441 0.050 . 1 . . . . . 327 VAL N . 27022 1 1536 . 1 1 329 329 THR H H 1 7.974 0.005 . 1 . . . . . 328 THR HN . 27022 1 1537 . 1 1 329 329 THR C C 13 175.129 0.050 . 1 . . . . . 328 THR C . 27022 1 1538 . 1 1 329 329 THR CA C 13 65.480 0.050 . 1 . . . . . 328 THR CA . 27022 1 1539 . 1 1 329 329 THR CB C 13 68.566 0.050 . 1 . . . . . 328 THR CB . 27022 1 1540 . 1 1 329 329 THR N N 15 112.733 0.050 . 1 . . . . . 328 THR N . 27022 1 1541 . 1 1 330 330 ARG H H 1 6.813 0.005 . 1 . . . . . 329 ARG HN . 27022 1 1542 . 1 1 330 330 ARG C C 13 176.639 0.050 . 1 . . . . . 329 ARG C . 27022 1 1543 . 1 1 330 330 ARG CA C 13 57.387 0.050 . 1 . . . . . 329 ARG CA . 27022 1 1544 . 1 1 330 330 ARG CB C 13 31.904 0.050 . 1 . . . . . 329 ARG CB . 27022 1 1545 . 1 1 330 330 ARG N N 15 117.764 0.050 . 1 . . . . . 329 ARG N . 27022 1 1546 . 1 1 331 331 ALA H H 1 6.965 0.005 . 1 . . . . . 330 ALA HN . 27022 1 1547 . 1 1 331 331 ALA C C 13 178.225 0.050 . 1 . . . . . 330 ALA C . 27022 1 1548 . 1 1 331 331 ALA CA C 13 53.095 0.050 . 1 . . . . . 330 ALA CA . 27022 1 1549 . 1 1 331 331 ALA CB C 13 19.571 0.050 . 1 . . . . . 330 ALA CB . 27022 1 1550 . 1 1 331 331 ALA N N 15 120.860 0.050 . 1 . . . . . 330 ALA N . 27022 1 1551 . 1 1 332 332 LYS H H 1 8.986 0.005 . 1 . . . . . 331 LYS HN . 27022 1 1552 . 1 1 332 332 LYS C C 13 176.239 0.050 . 1 . . . . . 331 LYS C . 27022 1 1553 . 1 1 332 332 LYS CA C 13 56.114 0.050 . 1 . . . . . 331 LYS CA . 27022 1 1554 . 1 1 332 332 LYS CB C 13 33.413 0.050 . 1 . . . . . 331 LYS CB . 27022 1 1555 . 1 1 332 332 LYS N N 15 117.658 0.050 . 1 . . . . . 331 LYS N . 27022 1 1556 . 1 1 333 333 GLN H H 1 7.824 0.005 . 1 . . . . . 332 GLN HN . 27022 1 1557 . 1 1 333 333 GLN C C 13 173.833 0.050 . 1 . . . . . 332 GLN C . 27022 1 1558 . 1 1 333 333 GLN CA C 13 55.409 0.050 . 1 . . . . . 332 GLN CA . 27022 1 1559 . 1 1 333 333 GLN CB C 13 29.453 0.050 . 1 . . . . . 332 GLN CB . 27022 1 1560 . 1 1 333 333 GLN N N 15 123.358 0.050 . 1 . . . . . 332 GLN N . 27022 1 1561 . 1 1 334 334 ILE H H 1 9.429 0.005 . 1 . . . . . 333 ILE HN . 27022 1 1562 . 1 1 334 334 ILE C C 13 175.785 0.050 . 1 . . . . . 333 ILE C . 27022 1 1563 . 1 1 334 334 ILE CA C 13 59.534 0.050 . 1 . . . . . 333 ILE CA . 27022 1 1564 . 1 1 334 334 ILE CB C 13 43.312 0.050 . 1 . . . . . 333 ILE CB . 27022 1 1565 . 1 1 334 334 ILE N N 15 127.231 0.050 . 1 . . . . . 333 ILE N . 27022 1 1566 . 1 1 335 335 VAL H H 1 8.586 0.005 . 1 . . . . . 334 VAL HN . 27022 1 1567 . 1 1 335 335 VAL C C 13 173.088 0.050 . 1 . . . . . 334 VAL C . 27022 1 1568 . 1 1 335 335 VAL CA C 13 60.512 0.050 . 1 . . . . . 334 VAL CA . 27022 1 1569 . 1 1 335 335 VAL CB C 13 33.916 0.050 . 1 . . . . . 334 VAL CB . 27022 1 1570 . 1 1 335 335 VAL N N 15 125.328 0.050 . 1 . . . . . 334 VAL N . 27022 1 1571 . 1 1 336 336 TRP H H 1 9.371 0.005 . 1 . . . . . 335 TRP HN . 27022 1 1572 . 1 1 336 336 TRP C C 13 174.074 0.050 . 1 . . . . . 335 TRP C . 27022 1 1573 . 1 1 336 336 TRP CA C 13 52.535 0.050 . 1 . . . . . 335 TRP CA . 27022 1 1574 . 1 1 336 336 TRP CB C 13 31.706 0.050 . 1 . . . . . 335 TRP CB . 27022 1 1575 . 1 1 336 336 TRP N N 15 130.225 0.050 . 1 . . . . . 335 TRP N . 27022 1 1576 . 1 1 337 337 ASN H H 1 8.940 0.005 . 1 . . . . . 336 ASN HN . 27022 1 1577 . 1 1 337 337 ASN C C 13 171.232 0.050 . 1 . . . . . 336 ASN C . 27022 1 1578 . 1 1 337 337 ASN CA C 13 54.844 0.050 . 1 . . . . . 336 ASN CA . 27022 1 1579 . 1 1 337 337 ASN CB C 13 42.641 0.050 . 1 . . . . . 336 ASN CB . 27022 1 1580 . 1 1 337 337 ASN N N 15 124.049 0.050 . 1 . . . . . 336 ASN N . 27022 1 1581 . 1 1 338 338 GLY H H 1 9.355 0.005 . 1 . . . . . 337 GLY HN . 27022 1 1582 . 1 1 338 338 GLY CA C 13 41.821 0.050 . 1 . . . . . 337 GLY CA . 27022 1 1583 . 1 1 338 338 GLY N N 15 117.095 0.050 . 1 . . . . . 337 GLY N . 27022 1 1584 . 1 1 339 339 PRO C C 13 176.599 0.050 . 1 . . . . . 338 PRO C . 27022 1 1585 . 1 1 339 339 PRO CA C 13 62.719 0.050 . 1 . . . . . 338 PRO CA . 27022 1 1586 . 1 1 339 339 PRO CB C 13 32.029 0.050 . 1 . . . . . 338 PRO CB . 27022 1 1587 . 1 1 340 340 VAL H H 1 7.203 0.005 . 1 . . . . . 339 VAL HN . 27022 1 1588 . 1 1 340 340 VAL C C 13 173.336 0.050 . 1 . . . . . 339 VAL C . 27022 1 1589 . 1 1 340 340 VAL CA C 13 62.101 0.050 . 1 . . . . . 339 VAL CA . 27022 1 1590 . 1 1 340 340 VAL CB C 13 29.812 0.050 . 1 . . . . . 339 VAL CB . 27022 1 1591 . 1 1 340 340 VAL N N 15 112.028 0.050 . 1 . . . . . 339 VAL N . 27022 1 1592 . 1 1 341 341 GLY H H 1 7.826 0.005 . 1 . . . . . 340 GLY HN . 27022 1 1593 . 1 1 341 341 GLY C C 13 172.892 0.050 . 1 . . . . . 340 GLY C . 27022 1 1594 . 1 1 341 341 GLY CA C 13 46.459 0.050 . 1 . . . . . 340 GLY CA . 27022 1 1595 . 1 1 341 341 GLY N N 15 112.421 0.050 . 1 . . . . . 340 GLY N . 27022 1 1596 . 1 1 342 342 VAL H H 1 8.008 0.005 . 1 . . . . . 341 VAL HN . 27022 1 1597 . 1 1 342 342 VAL C C 13 174.201 0.050 . 1 . . . . . 341 VAL C . 27022 1 1598 . 1 1 342 342 VAL CA C 13 59.920 0.050 . 1 . . . . . 341 VAL CA . 27022 1 1599 . 1 1 342 342 VAL CB C 13 27.946 0.050 . 1 . . . . . 341 VAL CB . 27022 1 1600 . 1 1 342 342 VAL N N 15 123.175 0.050 . 1 . . . . . 341 VAL N . 27022 1 1601 . 1 1 343 343 PHE H H 1 7.925 0.005 . 1 . . . . . 342 PHE HN . 27022 1 1602 . 1 1 343 343 PHE C C 13 172.856 0.050 . 1 . . . . . 342 PHE C . 27022 1 1603 . 1 1 343 343 PHE CA C 13 58.489 0.050 . 1 . . . . . 342 PHE CA . 27022 1 1604 . 1 1 343 343 PHE CB C 13 37.979 0.050 . 1 . . . . . 342 PHE CB . 27022 1 1605 . 1 1 343 343 PHE N N 15 123.279 0.050 . 1 . . . . . 342 PHE N . 27022 1 1606 . 1 1 344 344 GLU H H 1 8.721 0.005 . 1 . . . . . 343 GLU HN . 27022 1 1607 . 1 1 344 344 GLU C C 13 176.070 0.050 . 1 . . . . . 343 GLU C . 27022 1 1608 . 1 1 344 344 GLU CA C 13 58.747 0.050 . 1 . . . . . 343 GLU CA . 27022 1 1609 . 1 1 344 344 GLU CB C 13 26.822 0.050 . 1 . . . . . 343 GLU CB . 27022 1 1610 . 1 1 344 344 GLU N N 15 120.376 0.050 . 1 . . . . . 343 GLU N . 27022 1 1611 . 1 1 345 345 TRP H H 1 7.759 0.005 . 1 . . . . . 344 TRP HN . 27022 1 1612 . 1 1 345 345 TRP C C 13 175.814 0.050 . 1 . . . . . 344 TRP C . 27022 1 1613 . 1 1 345 345 TRP CA C 13 52.097 0.050 . 1 . . . . . 344 TRP CA . 27022 1 1614 . 1 1 345 345 TRP CB C 13 30.920 0.050 . 1 . . . . . 344 TRP CB . 27022 1 1615 . 1 1 345 345 TRP N N 15 120.798 0.050 . 1 . . . . . 344 TRP N . 27022 1 1616 . 1 1 346 346 GLU H H 1 8.720 0.005 . 1 . . . . . 345 GLU HN . 27022 1 1617 . 1 1 346 346 GLU C C 13 178.678 0.050 . 1 . . . . . 345 GLU C . 27022 1 1618 . 1 1 346 346 GLU CA C 13 59.385 0.050 . 1 . . . . . 345 GLU CA . 27022 1 1619 . 1 1 346 346 GLU CB C 13 28.850 0.050 . 1 . . . . . 345 GLU CB . 27022 1 1620 . 1 1 346 346 GLU N N 15 124.945 0.050 . 1 . . . . . 345 GLU N . 27022 1 1621 . 1 1 347 347 ALA H H 1 8.525 0.005 . 1 . . . . . 346 ALA HN . 27022 1 1622 . 1 1 347 347 ALA C C 13 178.377 0.050 . 1 . . . . . 346 ALA C . 27022 1 1623 . 1 1 347 347 ALA CA C 13 53.567 0.050 . 1 . . . . . 346 ALA CA . 27022 1 1624 . 1 1 347 347 ALA CB C 13 16.802 0.050 . 1 . . . . . 346 ALA CB . 27022 1 1625 . 1 1 347 347 ALA N N 15 118.458 0.050 . 1 . . . . . 346 ALA N . 27022 1 1626 . 1 1 348 348 PHE H H 1 7.962 0.005 . 1 . . . . . 347 PHE HN . 27022 1 1627 . 1 1 348 348 PHE C C 13 174.213 0.050 . 1 . . . . . 347 PHE C . 27022 1 1628 . 1 1 348 348 PHE CA C 13 54.811 0.050 . 1 . . . . . 347 PHE CA . 27022 1 1629 . 1 1 348 348 PHE CB C 13 38.034 0.050 . 1 . . . . . 347 PHE CB . 27022 1 1630 . 1 1 348 348 PHE N N 15 115.403 0.050 . 1 . . . . . 347 PHE N . 27022 1 1631 . 1 1 349 349 ALA H H 1 7.032 0.005 . 1 . . . . . 348 ALA HN . 27022 1 1632 . 1 1 349 349 ALA C C 13 177.331 0.050 . 1 . . . . . 348 ALA C . 27022 1 1633 . 1 1 349 349 ALA CA C 13 53.016 0.050 . 1 . . . . . 348 ALA CA . 27022 1 1634 . 1 1 349 349 ALA CB C 13 20.739 0.050 . 1 . . . . . 348 ALA CB . 27022 1 1635 . 1 1 349 349 ALA N N 15 119.542 0.050 . 1 . . . . . 348 ALA N . 27022 1 1636 . 1 1 350 350 ARG H H 1 7.868 0.005 . 1 . . . . . 349 ARG HN . 27022 1 1637 . 1 1 350 350 ARG C C 13 179.682 0.050 . 1 . . . . . 349 ARG C . 27022 1 1638 . 1 1 350 350 ARG CA C 13 59.925 0.050 . 1 . . . . . 349 ARG CA . 27022 1 1639 . 1 1 350 350 ARG CB C 13 28.676 0.050 . 1 . . . . . 349 ARG CB . 27022 1 1640 . 1 1 350 350 ARG N N 15 120.110 0.050 . 1 . . . . . 349 ARG N . 27022 1 1641 . 1 1 351 351 GLY H H 1 11.102 0.005 . 1 . . . . . 350 GLY HN . 27022 1 1642 . 1 1 351 351 GLY C C 13 177.851 0.050 . 1 . . . . . 350 GLY C . 27022 1 1643 . 1 1 351 351 GLY CA C 13 46.508 0.050 . 1 . . . . . 350 GLY CA . 27022 1 1644 . 1 1 351 351 GLY N N 15 111.962 0.050 . 1 . . . . . 350 GLY N . 27022 1 1645 . 1 1 352 352 THR H H 1 8.771 0.005 . 1 . . . . . 351 THR HN . 27022 1 1646 . 1 1 352 352 THR C C 13 175.026 0.050 . 1 . . . . . 351 THR C . 27022 1 1647 . 1 1 352 352 THR CA C 13 67.854 0.050 . 1 . . . . . 351 THR CA . 27022 1 1648 . 1 1 352 352 THR CB C 13 70.197 0.050 . 1 . . . . . 351 THR CB . 27022 1 1649 . 1 1 352 352 THR N N 15 121.620 0.050 . 1 . . . . . 351 THR N . 27022 1 1650 . 1 1 353 353 LYS H H 1 8.240 0.005 . 1 . . . . . 352 LYS HN . 27022 1 1651 . 1 1 353 353 LYS C C 13 177.300 0.050 . 1 . . . . . 352 LYS C . 27022 1 1652 . 1 1 353 353 LYS CA C 13 58.392 0.050 . 1 . . . . . 352 LYS CA . 27022 1 1653 . 1 1 353 353 LYS CB C 13 30.566 0.050 . 1 . . . . . 352 LYS CB . 27022 1 1654 . 1 1 353 353 LYS N N 15 126.478 0.050 . 1 . . . . . 352 LYS N . 27022 1 1655 . 1 1 354 354 ALA H H 1 8.362 0.005 . 1 . . . . . 353 ALA HN . 27022 1 1656 . 1 1 354 354 ALA C C 13 180.095 0.050 . 1 . . . . . 353 ALA C . 27022 1 1657 . 1 1 354 354 ALA CA C 13 54.188 0.050 . 1 . . . . . 353 ALA CA . 27022 1 1658 . 1 1 354 354 ALA CB C 13 16.322 0.050 . 1 . . . . . 353 ALA CB . 27022 1 1659 . 1 1 354 354 ALA N N 15 119.992 0.050 . 1 . . . . . 353 ALA N . 27022 1 1660 . 1 1 355 355 LEU H H 1 7.286 0.005 . 1 . . . . . 354 LEU HN . 27022 1 1661 . 1 1 355 355 LEU C C 13 178.448 0.050 . 1 . . . . . 354 LEU C . 27022 1 1662 . 1 1 355 355 LEU CA C 13 56.591 0.050 . 1 . . . . . 354 LEU CA . 27022 1 1663 . 1 1 355 355 LEU CB C 13 40.619 0.050 . 1 . . . . . 354 LEU CB . 27022 1 1664 . 1 1 355 355 LEU N N 15 118.982 0.050 . 1 . . . . . 354 LEU N . 27022 1 1665 . 1 1 356 356 MET H H 1 8.709 0.005 . 1 . . . . . 355 MET HN . 27022 1 1666 . 1 1 356 356 MET C C 13 177.586 0.050 . 1 . . . . . 355 MET C . 27022 1 1667 . 1 1 356 356 MET CA C 13 57.026 0.050 . 1 . . . . . 355 MET CA . 27022 1 1668 . 1 1 356 356 MET CB C 13 28.414 0.050 . 1 . . . . . 355 MET CB . 27022 1 1669 . 1 1 356 356 MET N N 15 120.059 0.050 . 1 . . . . . 355 MET N . 27022 1 1670 . 1 1 357 357 ASP H H 1 8.416 0.005 . 1 . . . . . 356 ASP HN . 27022 1 1671 . 1 1 357 357 ASP C C 13 179.945 0.050 . 1 . . . . . 356 ASP C . 27022 1 1672 . 1 1 357 357 ASP CA C 13 56.973 0.050 . 1 . . . . . 356 ASP CA . 27022 1 1673 . 1 1 357 357 ASP CB C 13 38.913 0.050 . 1 . . . . . 356 ASP CB . 27022 1 1674 . 1 1 357 357 ASP N N 15 119.604 0.050 . 1 . . . . . 356 ASP N . 27022 1 1675 . 1 1 358 358 GLU H H 1 7.584 0.005 . 1 . . . . . 357 GLU HN . 27022 1 1676 . 1 1 358 358 GLU C C 13 179.513 0.050 . 1 . . . . . 357 GLU C . 27022 1 1677 . 1 1 358 358 GLU CA C 13 57.964 0.050 . 1 . . . . . 357 GLU CA . 27022 1 1678 . 1 1 358 358 GLU CB C 13 27.407 0.050 . 1 . . . . . 357 GLU CB . 27022 1 1679 . 1 1 358 358 GLU N N 15 119.095 0.050 . 1 . . . . . 357 GLU N . 27022 1 1680 . 1 1 359 359 VAL H H 1 8.732 0.005 . 1 . . . . . 358 VAL HN . 27022 1 1681 . 1 1 359 359 VAL C C 13 178.752 0.050 . 1 . . . . . 358 VAL C . 27022 1 1682 . 1 1 359 359 VAL CA C 13 66.362 0.050 . 1 . . . . . 358 VAL CA . 27022 1 1683 . 1 1 359 359 VAL CB C 13 30.492 0.050 . 1 . . . . . 358 VAL CB . 27022 1 1684 . 1 1 359 359 VAL N N 15 123.776 0.050 . 1 . . . . . 358 VAL N . 27022 1 1685 . 1 1 360 360 VAL H H 1 8.801 0.005 . 1 . . . . . 359 VAL HN . 27022 1 1686 . 1 1 360 360 VAL C C 13 179.081 0.050 . 1 . . . . . 359 VAL C . 27022 1 1687 . 1 1 360 360 VAL CA C 13 66.927 0.050 . 1 . . . . . 359 VAL CA . 27022 1 1688 . 1 1 360 360 VAL CB C 13 30.867 0.050 . 1 . . . . . 359 VAL CB . 27022 1 1689 . 1 1 360 360 VAL N N 15 125.173 0.050 . 1 . . . . . 359 VAL N . 27022 1 1690 . 1 1 361 361 LYS H H 1 7.655 0.005 . 1 . . . . . 360 LYS HN . 27022 1 1691 . 1 1 361 361 LYS C C 13 180.009 0.050 . 1 . . . . . 360 LYS C . 27022 1 1692 . 1 1 361 361 LYS CA C 13 59.257 0.050 . 1 . . . . . 360 LYS CA . 27022 1 1693 . 1 1 361 361 LYS CB C 13 31.178 0.050 . 1 . . . . . 360 LYS CB . 27022 1 1694 . 1 1 361 361 LYS N N 15 121.645 0.050 . 1 . . . . . 360 LYS N . 27022 1 1695 . 1 1 362 362 ALA H H 1 8.282 0.005 . 1 . . . . . 361 ALA HN . 27022 1 1696 . 1 1 362 362 ALA C C 13 180.589 0.050 . 1 . . . . . 361 ALA C . 27022 1 1697 . 1 1 362 362 ALA CA C 13 54.504 0.050 . 1 . . . . . 361 ALA CA . 27022 1 1698 . 1 1 362 362 ALA CB C 13 16.143 0.050 . 1 . . . . . 361 ALA CB . 27022 1 1699 . 1 1 362 362 ALA N N 15 122.958 0.050 . 1 . . . . . 361 ALA N . 27022 1 1700 . 1 1 363 363 THR H H 1 8.146 0.005 . 1 . . . . . 362 THR HN . 27022 1 1701 . 1 1 363 363 THR C C 13 178.759 0.050 . 1 . . . . . 362 THR C . 27022 1 1702 . 1 1 363 363 THR CA C 13 65.211 0.050 . 1 . . . . . 362 THR CA . 27022 1 1703 . 1 1 363 363 THR CB C 13 68.803 0.050 . 1 . . . . . 362 THR CB . 27022 1 1704 . 1 1 363 363 THR N N 15 118.647 0.050 . 1 . . . . . 362 THR N . 27022 1 1705 . 1 1 364 364 SER H H 1 7.678 0.005 . 1 . . . . . 363 SER HN . 27022 1 1706 . 1 1 364 364 SER C C 13 174.534 0.050 . 1 . . . . . 363 SER C . 27022 1 1707 . 1 1 364 364 SER CA C 13 61.056 0.050 . 1 . . . . . 363 SER CA . 27022 1 1708 . 1 1 364 364 SER CB C 13 62.262 0.050 . 1 . . . . . 363 SER CB . 27022 1 1709 . 1 1 364 364 SER N N 15 118.035 0.050 . 1 . . . . . 363 SER N . 27022 1 1710 . 1 1 365 365 ARG H H 1 7.300 0.005 . 1 . . . . . 364 ARG HN . 27022 1 1711 . 1 1 365 365 ARG C C 13 176.610 0.050 . 1 . . . . . 364 ARG C . 27022 1 1712 . 1 1 365 365 ARG CA C 13 54.467 0.050 . 1 . . . . . 364 ARG CA . 27022 1 1713 . 1 1 365 365 ARG CB C 13 28.478 0.050 . 1 . . . . . 364 ARG CB . 27022 1 1714 . 1 1 365 365 ARG N N 15 116.582 0.050 . 1 . . . . . 364 ARG N . 27022 1 1715 . 1 1 366 366 GLY H H 1 7.717 0.005 . 1 . . . . . 365 GLY HN . 27022 1 1716 . 1 1 366 366 GLY C C 13 174.220 0.050 . 1 . . . . . 365 GLY C . 27022 1 1717 . 1 1 366 366 GLY CA C 13 44.723 0.050 . 1 . . . . . 365 GLY CA . 27022 1 1718 . 1 1 366 366 GLY N N 15 107.913 0.050 . 1 . . . . . 365 GLY N . 27022 1 1719 . 1 1 367 367 CYS H H 1 7.874 0.005 . 1 . . . . . 366 CYS HN . 27022 1 1720 . 1 1 367 367 CYS C C 13 174.329 0.050 . 1 . . . . . 366 CYS C . 27022 1 1721 . 1 1 367 367 CYS CA C 13 58.718 0.050 . 1 . . . . . 366 CYS CA . 27022 1 1722 . 1 1 367 367 CYS CB C 13 27.792 0.050 . 1 . . . . . 366 CYS CB . 27022 1 1723 . 1 1 367 367 CYS N N 15 122.586 0.050 . 1 . . . . . 366 CYS N . 27022 1 1724 . 1 1 368 368 ILE H H 1 7.810 0.005 . 1 . . . . . 367 ILE HN . 27022 1 1725 . 1 1 368 368 ILE C C 13 175.706 0.050 . 1 . . . . . 367 ILE C . 27022 1 1726 . 1 1 368 368 ILE CA C 13 60.033 0.050 . 1 . . . . . 367 ILE CA . 27022 1 1727 . 1 1 368 368 ILE CB C 13 36.590 0.050 . 1 . . . . . 367 ILE CB . 27022 1 1728 . 1 1 368 368 ILE N N 15 131.377 0.050 . 1 . . . . . 367 ILE N . 27022 1 1729 . 1 1 369 369 THR H H 1 9.178 0.005 . 1 . . . . . 368 THR HN . 27022 1 1730 . 1 1 369 369 THR C C 13 171.990 0.050 . 1 . . . . . 368 THR C . 27022 1 1731 . 1 1 369 369 THR CA C 13 59.298 0.050 . 1 . . . . . 368 THR CA . 27022 1 1732 . 1 1 369 369 THR CB C 13 69.353 0.050 . 1 . . . . . 368 THR CB . 27022 1 1733 . 1 1 369 369 THR N N 15 120.207 0.050 . 1 . . . . . 368 THR N . 27022 1 1734 . 1 1 370 370 ILE H H 1 8.666 0.005 . 1 . . . . . 369 ILE HN . 27022 1 1735 . 1 1 370 370 ILE C C 13 174.426 0.050 . 1 . . . . . 369 ILE C . 27022 1 1736 . 1 1 370 370 ILE CA C 13 59.542 0.050 . 1 . . . . . 369 ILE CA . 27022 1 1737 . 1 1 370 370 ILE CB C 13 38.835 0.050 . 1 . . . . . 369 ILE CB . 27022 1 1738 . 1 1 370 370 ILE N N 15 125.748 0.050 . 1 . . . . . 369 ILE N . 27022 1 1739 . 1 1 371 371 ILE H H 1 8.543 0.005 . 1 . . . . . 370 ILE HN . 27022 1 1740 . 1 1 371 371 ILE C C 13 174.838 0.050 . 1 . . . . . 370 ILE C . 27022 1 1741 . 1 1 371 371 ILE CA C 13 59.053 0.050 . 1 . . . . . 370 ILE CA . 27022 1 1742 . 1 1 371 371 ILE CB C 13 38.915 0.050 . 1 . . . . . 370 ILE CB . 27022 1 1743 . 1 1 371 371 ILE N N 15 128.940 0.050 . 1 . . . . . 370 ILE N . 27022 1 1744 . 1 1 372 372 GLY H H 1 8.616 0.005 . 1 . . . . . 371 GLY HN . 27022 1 1745 . 1 1 372 372 GLY C C 13 172.497 0.050 . 1 . . . . . 371 GLY C . 27022 1 1746 . 1 1 372 372 GLY CA C 13 45.471 0.050 . 1 . . . . . 371 GLY CA . 27022 1 1747 . 1 1 372 372 GLY N N 15 111.921 0.050 . 1 . . . . . 371 GLY N . 27022 1 1748 . 1 1 373 373 GLY H H 1 6.356 0.005 . 1 . . . . . 372 GLY HN . 27022 1 1749 . 1 1 373 373 GLY C C 13 175.238 0.050 . 1 . . . . . 372 GLY C . 27022 1 1750 . 1 1 373 373 GLY CA C 13 43.206 0.050 . 1 . . . . . 372 GLY CA . 27022 1 1751 . 1 1 373 373 GLY N N 15 111.421 0.050 . 1 . . . . . 372 GLY N . 27022 1 1752 . 1 1 374 374 GLY C C 13 176.845 0.050 . 1 . . . . . 373 GLY C . 27022 1 1753 . 1 1 374 374 GLY CA C 13 45.908 0.050 . 1 . . . . . 373 GLY CA . 27022 1 1754 . 1 1 375 375 ASP H H 1 10.979 0.005 . 1 . . . . . 374 ASP HN . 27022 1 1755 . 1 1 375 375 ASP C C 13 178.890 0.050 . 1 . . . . . 374 ASP C . 27022 1 1756 . 1 1 375 375 ASP CA C 13 57.627 0.050 . 1 . . . . . 374 ASP CA . 27022 1 1757 . 1 1 375 375 ASP CB C 13 41.016 0.050 . 1 . . . . . 374 ASP CB . 27022 1 1758 . 1 1 375 375 ASP N N 15 122.725 0.050 . 1 . . . . . 374 ASP N . 27022 1 1759 . 1 1 376 376 THR C C 13 177.318 0.050 . 1 . . . . . 375 THR C . 27022 1 1760 . 1 1 376 376 THR CA C 13 67.910 0.050 . 1 . . . . . 375 THR CA . 27022 1 1761 . 1 1 376 376 THR CB C 13 65.630 0.050 . 1 . . . . . 375 THR CB . 27022 1 1762 . 1 1 377 377 ALA H H 1 8.758 0.005 . 1 . . . . . 376 ALA HN . 27022 1 1763 . 1 1 377 377 ALA C C 13 181.853 0.050 . 1 . . . . . 376 ALA C . 27022 1 1764 . 1 1 377 377 ALA CA C 13 54.927 0.050 . 1 . . . . . 376 ALA CA . 27022 1 1765 . 1 1 377 377 ALA CB C 13 17.423 0.050 . 1 . . . . . 376 ALA CB . 27022 1 1766 . 1 1 377 377 ALA N N 15 121.113 0.050 . 1 . . . . . 376 ALA N . 27022 1 1767 . 1 1 378 378 THR H H 1 7.059 0.005 . 1 . . . . . 377 THR HN . 27022 1 1768 . 1 1 378 378 THR C C 13 176.099 0.050 . 1 . . . . . 377 THR C . 27022 1 1769 . 1 1 378 378 THR CA C 13 65.601 0.050 . 1 . . . . . 377 THR CA . 27022 1 1770 . 1 1 378 378 THR CB C 13 66.856 0.050 . 1 . . . . . 377 THR CB . 27022 1 1771 . 1 1 378 378 THR N N 15 117.413 0.050 . 1 . . . . . 377 THR N . 27022 1 1772 . 1 1 379 379 CYS H H 1 7.225 0.005 . 1 . . . . . 378 CYS HN . 27022 1 1773 . 1 1 379 379 CYS C C 13 175.327 0.050 . 1 . . . . . 378 CYS C . 27022 1 1774 . 1 1 379 379 CYS CA C 13 61.485 0.050 . 1 . . . . . 378 CYS CA . 27022 1 1775 . 1 1 379 379 CYS CB C 13 26.017 0.050 . 1 . . . . . 378 CYS CB . 27022 1 1776 . 1 1 379 379 CYS N N 15 121.869 0.050 . 1 . . . . . 378 CYS N . 27022 1 1777 . 1 1 380 380 CYS H H 1 6.415 0.005 . 1 . . . . . 379 CYS HN . 27022 1 1778 . 1 1 380 380 CYS C C 13 176.706 0.050 . 1 . . . . . 379 CYS C . 27022 1 1779 . 1 1 380 380 CYS CA C 13 59.767 0.050 . 1 . . . . . 379 CYS CA . 27022 1 1780 . 1 1 380 380 CYS CB C 13 26.485 0.050 . 1 . . . . . 379 CYS CB . 27022 1 1781 . 1 1 380 380 CYS N N 15 114.173 0.050 . 1 . . . . . 379 CYS N . 27022 1 1782 . 1 1 381 381 ALA H H 1 6.876 0.005 . 1 . . . . . 380 ALA HN . 27022 1 1783 . 1 1 381 381 ALA C C 13 179.987 0.050 . 1 . . . . . 380 ALA C . 27022 1 1784 . 1 1 381 381 ALA CA C 13 54.032 0.050 . 1 . . . . . 380 ALA CA . 27022 1 1785 . 1 1 381 381 ALA CB C 13 17.248 0.050 . 1 . . . . . 380 ALA CB . 27022 1 1786 . 1 1 381 381 ALA N N 15 121.668 0.050 . 1 . . . . . 380 ALA N . 27022 1 1787 . 1 1 382 382 LYS H H 1 8.183 0.005 . 1 . . . . . 381 LYS HN . 27022 1 1788 . 1 1 382 382 LYS C C 13 178.000 0.050 . 1 . . . . . 381 LYS C . 27022 1 1789 . 1 1 382 382 LYS CA C 13 58.507 0.050 . 1 . . . . . 381 LYS CA . 27022 1 1790 . 1 1 382 382 LYS CB C 13 31.605 0.050 . 1 . . . . . 381 LYS CB . 27022 1 1791 . 1 1 382 382 LYS N N 15 119.798 0.050 . 1 . . . . . 381 LYS N . 27022 1 1792 . 1 1 383 383 TRP H H 1 6.948 0.005 . 1 . . . . . 382 TRP HN . 27022 1 1793 . 1 1 383 383 TRP C C 13 174.101 0.050 . 1 . . . . . 382 TRP C . 27022 1 1794 . 1 1 383 383 TRP CA C 13 57.665 0.050 . 1 . . . . . 382 TRP CA . 27022 1 1795 . 1 1 383 383 TRP CB C 13 26.306 0.050 . 1 . . . . . 382 TRP CB . 27022 1 1796 . 1 1 383 383 TRP N N 15 113.205 0.050 . 1 . . . . . 382 TRP N . 27022 1 1797 . 1 1 384 384 ASN H H 1 7.531 0.005 . 1 . . . . . 383 ASN HN . 27022 1 1798 . 1 1 384 384 ASN C C 13 176.054 0.050 . 1 . . . . . 383 ASN C . 27022 1 1799 . 1 1 384 384 ASN CA C 13 53.653 0.050 . 1 . . . . . 383 ASN CA . 27022 1 1800 . 1 1 384 384 ASN CB C 13 36.333 0.050 . 1 . . . . . 383 ASN CB . 27022 1 1801 . 1 1 384 384 ASN N N 15 118.131 0.050 . 1 . . . . . 383 ASN N . 27022 1 1802 . 1 1 385 385 THR H H 1 9.148 0.005 . 1 . . . . . 384 THR HN . 27022 1 1803 . 1 1 385 385 THR C C 13 176.092 0.050 . 1 . . . . . 384 THR C . 27022 1 1804 . 1 1 385 385 THR CA C 13 59.971 0.050 . 1 . . . . . 384 THR CA . 27022 1 1805 . 1 1 385 385 THR CB C 13 67.985 0.050 . 1 . . . . . 384 THR CB . 27022 1 1806 . 1 1 385 385 THR N N 15 107.190 0.050 . 1 . . . . . 384 THR N . 27022 1 1807 . 1 1 386 386 GLU H H 1 8.499 0.005 . 1 . . . . . 385 GLU HN . 27022 1 1808 . 1 1 386 386 GLU C C 13 176.154 0.050 . 1 . . . . . 385 GLU C . 27022 1 1809 . 1 1 386 386 GLU CA C 13 59.706 0.050 . 1 . . . . . 385 GLU CA . 27022 1 1810 . 1 1 386 386 GLU CB C 13 28.636 0.050 . 1 . . . . . 385 GLU CB . 27022 1 1811 . 1 1 386 386 GLU N N 15 122.018 0.050 . 1 . . . . . 385 GLU N . 27022 1 1812 . 1 1 387 387 ASP H H 1 8.224 0.005 . 1 . . . . . 386 ASP HN . 27022 1 1813 . 1 1 387 387 ASP C C 13 176.525 0.050 . 1 . . . . . 386 ASP C . 27022 1 1814 . 1 1 387 387 ASP CA C 13 52.594 0.050 . 1 . . . . . 386 ASP CA . 27022 1 1815 . 1 1 387 387 ASP CB C 13 39.284 0.050 . 1 . . . . . 386 ASP CB . 27022 1 1816 . 1 1 387 387 ASP N N 15 112.588 0.050 . 1 . . . . . 386 ASP N . 27022 1 1817 . 1 1 388 388 LYS H H 1 7.503 0.005 . 1 . . . . . 387 LYS HN . 27022 1 1818 . 1 1 388 388 LYS C C 13 174.319 0.050 . 1 . . . . . 387 LYS C . 27022 1 1819 . 1 1 388 388 LYS CA C 13 55.236 0.050 . 1 . . . . . 387 LYS CA . 27022 1 1820 . 1 1 388 388 LYS CB C 13 34.056 0.050 . 1 . . . . . 387 LYS CB . 27022 1 1821 . 1 1 388 388 LYS N N 15 118.423 0.050 . 1 . . . . . 387 LYS N . 27022 1 1822 . 1 1 389 389 VAL H H 1 6.711 0.005 . 1 . . . . . 388 VAL HN . 27022 1 1823 . 1 1 389 389 VAL C C 13 175.900 0.050 . 1 . . . . . 388 VAL C . 27022 1 1824 . 1 1 389 389 VAL CA C 13 58.517 0.050 . 1 . . . . . 388 VAL CA . 27022 1 1825 . 1 1 389 389 VAL CB C 13 32.778 0.050 . 1 . . . . . 388 VAL CB . 27022 1 1826 . 1 1 389 389 VAL N N 15 109.296 0.050 . 1 . . . . . 388 VAL N . 27022 1 1827 . 1 1 390 390 SER H H 1 9.019 0.005 . 1 . . . . . 389 SER HN . 27022 1 1828 . 1 1 390 390 SER C C 13 175.154 0.050 . 1 . . . . . 389 SER C . 27022 1 1829 . 1 1 390 390 SER CA C 13 62.251 0.050 . 1 . . . . . 389 SER CA . 27022 1 1830 . 1 1 390 390 SER CB C 13 60.537 0.050 . 1 . . . . . 389 SER CB . 27022 1 1831 . 1 1 390 390 SER N N 15 122.078 0.050 . 1 . . . . . 389 SER N . 27022 1 1832 . 1 1 391 391 HIS H H 1 7.934 0.005 . 1 . . . . . 390 HIS HN . 27022 1 1833 . 1 1 391 391 HIS C C 13 172.235 0.050 . 1 . . . . . 390 HIS C . 27022 1 1834 . 1 1 391 391 HIS CA C 13 56.320 0.050 . 1 . . . . . 390 HIS CA . 27022 1 1835 . 1 1 391 391 HIS CB C 13 34.058 0.050 . 1 . . . . . 390 HIS CB . 27022 1 1836 . 1 1 391 391 HIS N N 15 117.931 0.050 . 1 . . . . . 390 HIS N . 27022 1 1837 . 1 1 392 392 VAL H H 1 7.408 0.005 . 1 . . . . . 391 VAL HN . 27022 1 1838 . 1 1 392 392 VAL C C 13 175.328 0.050 . 1 . . . . . 391 VAL C . 27022 1 1839 . 1 1 392 392 VAL CA C 13 59.698 0.050 . 1 . . . . . 391 VAL CA . 27022 1 1840 . 1 1 392 392 VAL CB C 13 30.410 0.050 . 1 . . . . . 391 VAL CB . 27022 1 1841 . 1 1 392 392 VAL N N 15 127.263 0.050 . 1 . . . . . 391 VAL N . 27022 1 1842 . 1 1 393 393 SER H H 1 9.485 0.005 . 1 . . . . . 392 SER HN . 27022 1 1843 . 1 1 393 393 SER C C 13 176.358 0.050 . 1 . . . . . 392 SER C . 27022 1 1844 . 1 1 393 393 SER CA C 13 55.830 0.050 . 1 . . . . . 392 SER CA . 27022 1 1845 . 1 1 393 393 SER CB C 13 63.852 0.050 . 1 . . . . . 392 SER CB . 27022 1 1846 . 1 1 393 393 SER N N 15 119.638 0.050 . 1 . . . . . 392 SER N . 27022 1 1847 . 1 1 394 394 THR H H 1 10.233 0.005 . 1 . . . . . 393 THR HN . 27022 1 1848 . 1 1 394 394 THR C C 13 174.715 0.050 . 1 . . . . . 393 THR C . 27022 1 1849 . 1 1 394 394 THR CA C 13 62.500 0.050 . 1 . . . . . 393 THR CA . 27022 1 1850 . 1 1 394 394 THR CB C 13 70.615 0.050 . 1 . . . . . 393 THR CB . 27022 1 1851 . 1 1 394 394 THR N N 15 118.456 0.050 . 1 . . . . . 393 THR N . 27022 1 1852 . 1 1 395 395 GLY H H 1 9.277 0.005 . 1 . . . . . 394 GLY HN . 27022 1 1853 . 1 1 395 395 GLY C C 13 170.961 0.050 . 1 . . . . . 394 GLY C . 27022 1 1854 . 1 1 395 395 GLY CA C 13 44.825 0.050 . 1 . . . . . 394 GLY CA . 27022 1 1855 . 1 1 395 395 GLY N N 15 109.716 0.050 . 1 . . . . . 394 GLY N . 27022 1 1856 . 1 1 396 396 GLY H H 1 9.022 0.005 . 1 . . . . . 395 GLY HN . 27022 1 1857 . 1 1 396 396 GLY C C 13 171.042 0.050 . 1 . . . . . 395 GLY C . 27022 1 1858 . 1 1 396 396 GLY CA C 13 46.273 0.050 . 1 . . . . . 395 GLY CA . 27022 1 1859 . 1 1 396 396 GLY N N 15 116.118 0.050 . 1 . . . . . 395 GLY N . 27022 1 1860 . 1 1 397 397 GLY C C 13 173.771 0.050 . 1 . . . . . 396 GLY C . 27022 1 1861 . 1 1 397 397 GLY CA C 13 47.081 0.050 . 1 . . . . . 396 GLY CA . 27022 1 1862 . 1 1 398 398 ALA H H 1 6.695 0.005 . 1 . . . . . 397 ALA HN . 27022 1 1863 . 1 1 398 398 ALA C C 13 178.027 0.050 . 1 . . . . . 397 ALA C . 27022 1 1864 . 1 1 398 398 ALA CA C 13 55.287 0.050 . 1 . . . . . 397 ALA CA . 27022 1 1865 . 1 1 398 398 ALA CB C 13 18.162 0.050 . 1 . . . . . 397 ALA CB . 27022 1 1866 . 1 1 398 398 ALA N N 15 118.181 0.050 . 1 . . . . . 397 ALA N . 27022 1 1867 . 1 1 399 399 SER H H 1 6.092 0.005 . 1 . . . . . 398 SER HN . 27022 1 1868 . 1 1 399 399 SER C C 13 176.018 0.050 . 1 . . . . . 398 SER C . 27022 1 1869 . 1 1 399 399 SER CA C 13 61.021 0.050 . 1 . . . . . 398 SER CA . 27022 1 1870 . 1 1 399 399 SER CB C 13 61.682 0.050 . 1 . . . . . 398 SER CB . 27022 1 1871 . 1 1 399 399 SER N N 15 109.836 0.050 . 1 . . . . . 398 SER N . 27022 1 1872 . 1 1 400 400 LEU H H 1 7.223 0.005 . 1 . . . . . 399 LEU HN . 27022 1 1873 . 1 1 400 400 LEU C C 13 178.973 0.050 . 1 . . . . . 399 LEU C . 27022 1 1874 . 1 1 400 400 LEU CA C 13 56.660 0.050 . 1 . . . . . 399 LEU CA . 27022 1 1875 . 1 1 400 400 LEU CB C 13 40.476 0.050 . 1 . . . . . 399 LEU CB . 27022 1 1876 . 1 1 400 400 LEU N N 15 120.343 0.050 . 1 . . . . . 399 LEU N . 27022 1 1877 . 1 1 401 401 GLU H H 1 7.941 0.005 . 1 . . . . . 400 GLU HN . 27022 1 1878 . 1 1 401 401 GLU C C 13 179.076 0.050 . 1 . . . . . 400 GLU C . 27022 1 1879 . 1 1 401 401 GLU CA C 13 60.201 0.050 . 1 . . . . . 400 GLU CA . 27022 1 1880 . 1 1 401 401 GLU CB C 13 27.292 0.050 . 1 . . . . . 400 GLU CB . 27022 1 1881 . 1 1 401 401 GLU N N 15 118.926 0.050 . 1 . . . . . 400 GLU N . 27022 1 1882 . 1 1 402 402 LEU H H 1 7.046 0.005 . 1 . . . . . 401 LEU HN . 27022 1 1883 . 1 1 402 402 LEU C C 13 181.232 0.050 . 1 . . . . . 401 LEU C . 27022 1 1884 . 1 1 402 402 LEU CA C 13 56.985 0.050 . 1 . . . . . 401 LEU CA . 27022 1 1885 . 1 1 402 402 LEU CB C 13 40.694 0.050 . 1 . . . . . 401 LEU CB . 27022 1 1886 . 1 1 402 402 LEU N N 15 119.150 0.050 . 1 . . . . . 401 LEU N . 27022 1 1887 . 1 1 403 403 LEU H H 1 7.842 0.005 . 1 . . . . . 402 LEU HN . 27022 1 1888 . 1 1 403 403 LEU C C 13 177.743 0.050 . 1 . . . . . 402 LEU C . 27022 1 1889 . 1 1 403 403 LEU CA C 13 57.959 0.050 . 1 . . . . . 402 LEU CA . 27022 1 1890 . 1 1 403 403 LEU CB C 13 40.392 0.050 . 1 . . . . . 402 LEU CB . 27022 1 1891 . 1 1 403 403 LEU N N 15 123.957 0.050 . 1 . . . . . 402 LEU N . 27022 1 1892 . 1 1 404 404 GLU H H 1 7.908 0.005 . 1 . . . . . 403 GLU HN . 27022 1 1893 . 1 1 404 404 GLU C C 13 176.728 0.050 . 1 . . . . . 403 GLU C . 27022 1 1894 . 1 1 404 404 GLU CA C 13 58.806 0.050 . 1 . . . . . 403 GLU CA . 27022 1 1895 . 1 1 404 404 GLU CB C 13 31.114 0.050 . 1 . . . . . 403 GLU CB . 27022 1 1896 . 1 1 404 404 GLU N N 15 115.992 0.050 . 1 . . . . . 403 GLU N . 27022 1 1897 . 1 1 405 405 GLY H H 1 7.628 0.005 . 1 . . . . . 404 GLY HN . 27022 1 1898 . 1 1 405 405 GLY C C 13 174.826 0.050 . 1 . . . . . 404 GLY C . 27022 1 1899 . 1 1 405 405 GLY CA C 13 43.977 0.050 . 1 . . . . . 404 GLY CA . 27022 1 1900 . 1 1 405 405 GLY N N 15 104.085 0.050 . 1 . . . . . 404 GLY N . 27022 1 1901 . 1 1 406 406 LYS H H 1 7.132 0.005 . 1 . . . . . 405 LYS HN . 27022 1 1902 . 1 1 406 406 LYS C C 13 176.412 0.050 . 1 . . . . . 405 LYS C . 27022 1 1903 . 1 1 406 406 LYS CA C 13 55.689 0.050 . 1 . . . . . 405 LYS CA . 27022 1 1904 . 1 1 406 406 LYS CB C 13 32.613 0.050 . 1 . . . . . 405 LYS CB . 27022 1 1905 . 1 1 406 406 LYS N N 15 120.183 0.050 . 1 . . . . . 405 LYS N . 27022 1 1906 . 1 1 407 407 VAL H H 1 7.992 0.005 . 1 . . . . . 406 VAL HN . 27022 1 1907 . 1 1 407 407 VAL C C 13 176.504 0.050 . 1 . . . . . 406 VAL C . 27022 1 1908 . 1 1 407 407 VAL CA C 13 61.444 0.050 . 1 . . . . . 406 VAL CA . 27022 1 1909 . 1 1 407 407 VAL CB C 13 30.514 0.050 . 1 . . . . . 406 VAL CB . 27022 1 1910 . 1 1 407 407 VAL N N 15 121.385 0.050 . 1 . . . . . 406 VAL N . 27022 1 1911 . 1 1 408 408 LEU H H 1 8.545 0.005 . 1 . . . . . 407 LEU HN . 27022 1 1912 . 1 1 408 408 LEU C C 13 176.406 0.050 . 1 . . . . . 407 LEU C . 27022 1 1913 . 1 1 408 408 LEU CA C 13 52.203 0.050 . 1 . . . . . 407 LEU CA . 27022 1 1914 . 1 1 408 408 LEU CB C 13 38.658 0.050 . 1 . . . . . 407 LEU CB . 27022 1 1915 . 1 1 408 408 LEU N N 15 129.563 0.050 . 1 . . . . . 407 LEU N . 27022 1 1916 . 1 1 409 409 PRO C C 13 178.623 0.050 . 1 . . . . . 408 PRO C . 27022 1 1917 . 1 1 409 409 PRO CA C 13 64.815 0.050 . 1 . . . . . 408 PRO CA . 27022 1 1918 . 1 1 410 410 GLY H H 1 8.531 0.005 . 1 . . . . . 409 GLY HN . 27022 1 1919 . 1 1 410 410 GLY C C 13 172.999 0.050 . 1 . . . . . 409 GLY C . 27022 1 1920 . 1 1 410 410 GLY CA C 13 45.544 0.050 . 1 . . . . . 409 GLY CA . 27022 1 1921 . 1 1 410 410 GLY N N 15 100.384 0.050 . 1 . . . . . 409 GLY N . 27022 1 1922 . 1 1 411 411 VAL H H 1 6.932 0.005 . 1 . . . . . 410 VAL HN . 27022 1 1923 . 1 1 411 411 VAL C C 13 177.410 0.050 . 1 . . . . . 410 VAL C . 27022 1 1924 . 1 1 411 411 VAL CA C 13 63.710 0.050 . 1 . . . . . 410 VAL CA . 27022 1 1925 . 1 1 411 411 VAL CB C 13 31.004 0.050 . 1 . . . . . 410 VAL CB . 27022 1 1926 . 1 1 411 411 VAL N N 15 117.980 0.050 . 1 . . . . . 410 VAL N . 27022 1 1927 . 1 1 412 412 ASP H H 1 7.887 0.005 . 1 . . . . . 411 ASP HN . 27022 1 1928 . 1 1 412 412 ASP C C 13 176.675 0.050 . 1 . . . . . 411 ASP C . 27022 1 1929 . 1 1 412 412 ASP CA C 13 56.443 0.050 . 1 . . . . . 411 ASP CA . 27022 1 1930 . 1 1 412 412 ASP CB C 13 41.727 0.050 . 1 . . . . . 411 ASP CB . 27022 1 1931 . 1 1 412 412 ASP N N 15 119.190 0.050 . 1 . . . . . 411 ASP N . 27022 1 1932 . 1 1 413 413 ALA H H 1 7.023 0.005 . 1 . . . . . 412 ALA HN . 27022 1 1933 . 1 1 413 413 ALA C C 13 177.922 0.050 . 1 . . . . . 412 ALA C . 27022 1 1934 . 1 1 413 413 ALA CA C 13 52.108 0.050 . 1 . . . . . 412 ALA CA . 27022 1 1935 . 1 1 413 413 ALA CB C 13 18.652 0.050 . 1 . . . . . 412 ALA CB . 27022 1 1936 . 1 1 413 413 ALA N N 15 113.502 0.050 . 1 . . . . . 412 ALA N . 27022 1 1937 . 1 1 414 414 LEU H H 1 7.237 0.005 . 1 . . . . . 413 LEU HN . 27022 1 1938 . 1 1 414 414 LEU C C 13 177.836 0.050 . 1 . . . . . 413 LEU C . 27022 1 1939 . 1 1 414 414 LEU CA C 13 54.563 0.050 . 1 . . . . . 413 LEU CA . 27022 1 1940 . 1 1 414 414 LEU CB C 13 40.487 0.050 . 1 . . . . . 413 LEU CB . 27022 1 1941 . 1 1 414 414 LEU N N 15 118.129 0.050 . 1 . . . . . 413 LEU N . 27022 1 1942 . 1 1 415 415 SER H H 1 9.567 0.005 . 1 . . . . . 414 SER HN . 27022 1 1943 . 1 1 415 415 SER C C 13 173.369 0.050 . 1 . . . . . 414 SER C . 27022 1 1944 . 1 1 415 415 SER CA C 13 60.383 0.050 . 1 . . . . . 414 SER CA . 27022 1 1945 . 1 1 415 415 SER CB C 13 62.947 0.050 . 1 . . . . . 414 SER CB . 27022 1 1946 . 1 1 415 415 SER N N 15 119.776 0.050 . 1 . . . . . 414 SER N . 27022 1 1947 . 1 1 416 416 ASN H H 1 8.580 0.005 . 1 . . . . . 415 ASN HN . 27022 1 1948 . 1 1 416 416 ASN C C 13 175.660 0.050 . 1 . . . . . 415 ASN C . 27022 1 1949 . 1 1 416 416 ASN CA C 13 52.683 0.050 . 1 . . . . . 415 ASN CA . 27022 1 1950 . 1 1 416 416 ASN CB C 13 38.671 0.050 . 1 . . . . . 415 ASN CB . 27022 1 1951 . 1 1 416 416 ASN N N 15 122.208 0.050 . 1 . . . . . 415 ASN N . 27022 1 1952 . 1 1 417 417 ILE H H 1 7.637 0.005 . 1 . . . . . 416 ILE HN . 27022 1 1953 . 1 1 417 417 ILE C C 13 180.658 0.050 . 1 . . . . . 416 ILE C . 27022 1 1954 . 1 1 417 417 ILE CA C 13 62.283 0.050 . 1 . . . . . 416 ILE CA . 27022 1 1955 . 1 1 417 417 ILE CB C 13 38.702 0.050 . 1 . . . . . 416 ILE CB . 27022 1 1956 . 1 1 417 417 ILE N N 15 124.174 0.050 . 1 . . . . . 416 ILE N . 27022 1 stop_ save_