data_26564 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26564 _Entry.Title ; Y-family polymerase Dbh (dinB homolog) from Sulfolobus acidocaldarius 1H, 15N, and 13C chemical shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-20 _Entry.Accession_date 2015-04-20 _Entry.Last_release_date 2015-07-14 _Entry.Original_release_date 2015-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '1H, 15N, 13C Backbone, Cb, and select Ha chemical shifts for Dbh polymerase' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sean Moro . L. . . 26564 2 Melanie Cocco . J. . . 26564 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 26564 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1189 26564 '15N chemical shifts' 568 26564 '1H chemical shifts' 631 26564 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 . . 2016-07-12 2015-04-20 update BMRB 'update entry citation' 26564 1 . . 2015-07-14 2015-04-20 original author 'original release' 26564 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1K1S 'Dbh polymerase from Sulfolobus acidocaldarius, apo form crystal structure' 26564 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26564 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26154586 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone resonance assignments of the full-length 40 kDa S. acidocaldarius Y-family DNA polymerase, dinB homolog ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 9 _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 441 _Citation.Page_last 445 _Citation.Year 2015 _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 Sean Moro . L. . . 26564 1 2 Melanie Cocco . J. . . 26564 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Dbh (dinB homolog)' 26564 1 'Sulfolobus acidocaldarius' 26564 1 'Y-family polymerase' 26564 1 'translesion synthesis' 26564 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26564 _Assembly.ID 1 _Assembly.Name 'DbhS C31S monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 40807 _Assembly.Enzyme_commission_number 2.7.7.7 _Assembly.Details 'Dbh C31S monomer' _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 'DbhS C31S' 1 $Dbh_C31S A . yes native no yes . . . 26564 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 1K1Q . . 'X-ray crystallography' 2.80 'Structure for apoDbhS' . 26564 1 yes PDB 1K1S . . 'X-ray crystallography' 2.80 'Structure for apoDbhS' . 26564 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Translesion/bypass polymerase' 26564 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dbh_C31S _Entity.Sf_category entity _Entity.Sf_framecode Dbh_C31S _Entity.Entry_ID 26564 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dbh_C31S _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 ; MHHHHHHIVIFVDFDYFFAQ VEEVLNPQYKGKPLVVSVYS GRTKTSGAVATANYEARKLG VKAGMPIIKAMQIAPSAIYV PMRKPIYEAFSNRIMNLLNK HADKIEVASIDEAYLDVTNK VEGNFENGIELARKIKQEIL EKEKITVTVGVAPNKILAKI IADKSKPNGLGVIRPTEVQD FLNELDIDEIPGIGSVLARR LNELGIQKLRDILSKNYNEL EKITGKAKALYLLKLAQNKY SEPVENKSKIPHGRYLTLPY NTRDVKVILPYLKKAINEAY NKVNGIPMRITVIAIMEDLD ILSKGKKFKHGISIDNAYKV AEDLLRELLVRDKRRNVRRI GVKLDNIIINKTNLSDFFDI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The isoleucine residue following the His tag should be numbered 2, with every residue C-terminal of that Ile numbered sequentially thereafter. ; _Entity.Polymer_author_seq_details 'Residue 31 is Cys in WT Dbh Mutated to Ser.' _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 360 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C31S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1K1S . Dbh . . . . . . . . . . . . . . 26564 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Y-family translesion/bypass polymerase' 26564 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26564 1 2 . HIS . 26564 1 3 . HIS . 26564 1 4 . HIS . 26564 1 5 . HIS . 26564 1 6 . HIS . 26564 1 7 . HIS . 26564 1 8 2 ILE . 26564 1 9 3 VAL . 26564 1 10 4 ILE . 26564 1 11 5 PHE . 26564 1 12 6 VAL . 26564 1 13 7 ASP . 26564 1 14 8 PHE . 26564 1 15 9 ASP . 26564 1 16 10 TYR . 26564 1 17 11 PHE . 26564 1 18 12 PHE . 26564 1 19 13 ALA . 26564 1 20 14 GLN . 26564 1 21 15 VAL . 26564 1 22 16 GLU . 26564 1 23 17 GLU . 26564 1 24 18 VAL . 26564 1 25 19 LEU . 26564 1 26 20 ASN . 26564 1 27 21 PRO . 26564 1 28 22 GLN . 26564 1 29 23 TYR . 26564 1 30 24 LYS . 26564 1 31 25 GLY . 26564 1 32 26 LYS . 26564 1 33 27 PRO . 26564 1 34 28 LEU . 26564 1 35 29 VAL . 26564 1 36 30 VAL . 26564 1 37 31 SER . 26564 1 38 32 VAL . 26564 1 39 33 TYR . 26564 1 40 34 SER . 26564 1 41 35 GLY . 26564 1 42 36 ARG . 26564 1 43 37 THR . 26564 1 44 38 LYS . 26564 1 45 39 THR . 26564 1 46 40 SER . 26564 1 47 41 GLY . 26564 1 48 42 ALA . 26564 1 49 43 VAL . 26564 1 50 44 ALA . 26564 1 51 45 THR . 26564 1 52 46 ALA . 26564 1 53 47 ASN . 26564 1 54 48 TYR . 26564 1 55 49 GLU . 26564 1 56 50 ALA . 26564 1 57 51 ARG . 26564 1 58 52 LYS . 26564 1 59 53 LEU . 26564 1 60 54 GLY . 26564 1 61 55 VAL . 26564 1 62 56 LYS . 26564 1 63 57 ALA . 26564 1 64 58 GLY . 26564 1 65 59 MET . 26564 1 66 60 PRO . 26564 1 67 61 ILE . 26564 1 68 62 ILE . 26564 1 69 63 LYS . 26564 1 70 64 ALA . 26564 1 71 65 MET . 26564 1 72 66 GLN . 26564 1 73 67 ILE . 26564 1 74 68 ALA . 26564 1 75 69 PRO . 26564 1 76 70 SER . 26564 1 77 71 ALA . 26564 1 78 72 ILE . 26564 1 79 73 TYR . 26564 1 80 74 VAL . 26564 1 81 75 PRO . 26564 1 82 76 MET . 26564 1 83 77 ARG . 26564 1 84 78 LYS . 26564 1 85 79 PRO . 26564 1 86 80 ILE . 26564 1 87 81 TYR . 26564 1 88 82 GLU . 26564 1 89 83 ALA . 26564 1 90 84 PHE . 26564 1 91 85 SER . 26564 1 92 86 ASN . 26564 1 93 87 ARG . 26564 1 94 88 ILE . 26564 1 95 89 MET . 26564 1 96 90 ASN . 26564 1 97 91 LEU . 26564 1 98 92 LEU . 26564 1 99 93 ASN . 26564 1 100 94 LYS . 26564 1 101 95 HIS . 26564 1 102 96 ALA . 26564 1 103 97 ASP . 26564 1 104 98 LYS . 26564 1 105 99 ILE . 26564 1 106 100 GLU . 26564 1 107 101 VAL . 26564 1 108 102 ALA . 26564 1 109 103 SER . 26564 1 110 104 ILE . 26564 1 111 105 ASP . 26564 1 112 106 GLU . 26564 1 113 107 ALA . 26564 1 114 108 TYR . 26564 1 115 109 LEU . 26564 1 116 110 ASP . 26564 1 117 111 VAL . 26564 1 118 112 THR . 26564 1 119 113 ASN . 26564 1 120 114 LYS . 26564 1 121 115 VAL . 26564 1 122 116 GLU . 26564 1 123 117 GLY . 26564 1 124 118 ASN . 26564 1 125 119 PHE . 26564 1 126 120 GLU . 26564 1 127 121 ASN . 26564 1 128 122 GLY . 26564 1 129 123 ILE . 26564 1 130 124 GLU . 26564 1 131 125 LEU . 26564 1 132 126 ALA . 26564 1 133 127 ARG . 26564 1 134 128 LYS . 26564 1 135 129 ILE . 26564 1 136 130 LYS . 26564 1 137 131 GLN . 26564 1 138 132 GLU . 26564 1 139 133 ILE . 26564 1 140 134 LEU . 26564 1 141 135 GLU . 26564 1 142 136 LYS . 26564 1 143 137 GLU . 26564 1 144 138 LYS . 26564 1 145 139 ILE . 26564 1 146 140 THR . 26564 1 147 141 VAL . 26564 1 148 142 THR . 26564 1 149 143 VAL . 26564 1 150 144 GLY . 26564 1 151 145 VAL . 26564 1 152 146 ALA . 26564 1 153 147 PRO . 26564 1 154 148 ASN . 26564 1 155 149 LYS . 26564 1 156 150 ILE . 26564 1 157 151 LEU . 26564 1 158 152 ALA . 26564 1 159 153 LYS . 26564 1 160 154 ILE . 26564 1 161 155 ILE . 26564 1 162 156 ALA . 26564 1 163 157 ASP . 26564 1 164 158 LYS . 26564 1 165 159 SER . 26564 1 166 160 LYS . 26564 1 167 161 PRO . 26564 1 168 162 ASN . 26564 1 169 163 GLY . 26564 1 170 164 LEU . 26564 1 171 165 GLY . 26564 1 172 166 VAL . 26564 1 173 167 ILE . 26564 1 174 168 ARG . 26564 1 175 169 PRO . 26564 1 176 170 THR . 26564 1 177 171 GLU . 26564 1 178 172 VAL . 26564 1 179 173 GLN . 26564 1 180 174 ASP . 26564 1 181 175 PHE . 26564 1 182 176 LEU . 26564 1 183 177 ASN . 26564 1 184 178 GLU . 26564 1 185 179 LEU . 26564 1 186 180 ASP . 26564 1 187 181 ILE . 26564 1 188 182 ASP . 26564 1 189 183 GLU . 26564 1 190 184 ILE . 26564 1 191 185 PRO . 26564 1 192 186 GLY . 26564 1 193 187 ILE . 26564 1 194 188 GLY . 26564 1 195 189 SER . 26564 1 196 190 VAL . 26564 1 197 191 LEU . 26564 1 198 192 ALA . 26564 1 199 193 ARG . 26564 1 200 194 ARG . 26564 1 201 195 LEU . 26564 1 202 196 ASN . 26564 1 203 197 GLU . 26564 1 204 198 LEU . 26564 1 205 199 GLY . 26564 1 206 200 ILE . 26564 1 207 201 GLN . 26564 1 208 202 LYS . 26564 1 209 203 LEU . 26564 1 210 204 ARG . 26564 1 211 205 ASP . 26564 1 212 206 ILE . 26564 1 213 207 LEU . 26564 1 214 208 SER . 26564 1 215 209 LYS . 26564 1 216 210 ASN . 26564 1 217 211 TYR . 26564 1 218 212 ASN . 26564 1 219 213 GLU . 26564 1 220 214 LEU . 26564 1 221 215 GLU . 26564 1 222 216 LYS . 26564 1 223 217 ILE . 26564 1 224 218 THR . 26564 1 225 219 GLY . 26564 1 226 220 LYS . 26564 1 227 221 ALA . 26564 1 228 222 LYS . 26564 1 229 223 ALA . 26564 1 230 224 LEU . 26564 1 231 225 TYR . 26564 1 232 226 LEU . 26564 1 233 227 LEU . 26564 1 234 228 LYS . 26564 1 235 229 LEU . 26564 1 236 230 ALA . 26564 1 237 231 GLN . 26564 1 238 232 ASN . 26564 1 239 233 LYS . 26564 1 240 234 TYR . 26564 1 241 235 SER . 26564 1 242 236 GLU . 26564 1 243 237 PRO . 26564 1 244 238 VAL . 26564 1 245 239 GLU . 26564 1 246 240 ASN . 26564 1 247 241 LYS . 26564 1 248 242 SER . 26564 1 249 243 LYS . 26564 1 250 244 ILE . 26564 1 251 245 PRO . 26564 1 252 246 HIS . 26564 1 253 247 GLY . 26564 1 254 248 ARG . 26564 1 255 249 TYR . 26564 1 256 250 LEU . 26564 1 257 251 THR . 26564 1 258 252 LEU . 26564 1 259 253 PRO . 26564 1 260 254 TYR . 26564 1 261 255 ASN . 26564 1 262 256 THR . 26564 1 263 257 ARG . 26564 1 264 258 ASP . 26564 1 265 259 VAL . 26564 1 266 260 LYS . 26564 1 267 261 VAL . 26564 1 268 262 ILE . 26564 1 269 263 LEU . 26564 1 270 264 PRO . 26564 1 271 265 TYR . 26564 1 272 266 LEU . 26564 1 273 267 LYS . 26564 1 274 268 LYS . 26564 1 275 269 ALA . 26564 1 276 270 ILE . 26564 1 277 271 ASN . 26564 1 278 272 GLU . 26564 1 279 273 ALA . 26564 1 280 274 TYR . 26564 1 281 275 ASN . 26564 1 282 276 LYS . 26564 1 283 277 VAL . 26564 1 284 278 ASN . 26564 1 285 279 GLY . 26564 1 286 280 ILE . 26564 1 287 281 PRO . 26564 1 288 282 MET . 26564 1 289 283 ARG . 26564 1 290 284 ILE . 26564 1 291 285 THR . 26564 1 292 286 VAL . 26564 1 293 287 ILE . 26564 1 294 288 ALA . 26564 1 295 289 ILE . 26564 1 296 290 MET . 26564 1 297 291 GLU . 26564 1 298 292 ASP . 26564 1 299 293 LEU . 26564 1 300 294 ASP . 26564 1 301 295 ILE . 26564 1 302 296 LEU . 26564 1 303 297 SER . 26564 1 304 298 LYS . 26564 1 305 299 GLY . 26564 1 306 300 LYS . 26564 1 307 301 LYS . 26564 1 308 302 PHE . 26564 1 309 303 LYS . 26564 1 310 304 HIS . 26564 1 311 305 GLY . 26564 1 312 306 ILE . 26564 1 313 307 SER . 26564 1 314 308 ILE . 26564 1 315 309 ASP . 26564 1 316 310 ASN . 26564 1 317 311 ALA . 26564 1 318 312 TYR . 26564 1 319 313 LYS . 26564 1 320 314 VAL . 26564 1 321 315 ALA . 26564 1 322 316 GLU . 26564 1 323 317 ASP . 26564 1 324 318 LEU . 26564 1 325 319 LEU . 26564 1 326 320 ARG . 26564 1 327 321 GLU . 26564 1 328 322 LEU . 26564 1 329 323 LEU . 26564 1 330 324 VAL . 26564 1 331 325 ARG . 26564 1 332 326 ASP . 26564 1 333 327 LYS . 26564 1 334 328 ARG . 26564 1 335 329 ARG . 26564 1 336 330 ASN . 26564 1 337 331 VAL . 26564 1 338 332 ARG . 26564 1 339 333 ARG . 26564 1 340 334 ILE . 26564 1 341 335 GLY . 26564 1 342 336 VAL . 26564 1 343 337 LYS . 26564 1 344 338 LEU . 26564 1 345 339 ASP . 26564 1 346 340 ASN . 26564 1 347 341 ILE . 26564 1 348 342 ILE . 26564 1 349 343 ILE . 26564 1 350 344 ASN . 26564 1 351 345 LYS . 26564 1 352 346 THR . 26564 1 353 347 ASN . 26564 1 354 348 LEU . 26564 1 355 349 SER . 26564 1 356 350 ASP . 26564 1 357 351 PHE . 26564 1 358 352 PHE . 26564 1 359 353 ASP . 26564 1 360 354 ILE . 26564 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 26564 1 . HIS 2 2 26564 1 . HIS 3 3 26564 1 . HIS 4 4 26564 1 . HIS 5 5 26564 1 . HIS 6 6 26564 1 . HIS 7 7 26564 1 . ILE 8 8 26564 1 . VAL 9 9 26564 1 . ILE 10 10 26564 1 . PHE 11 11 26564 1 . VAL 12 12 26564 1 . ASP 13 13 26564 1 . PHE 14 14 26564 1 . ASP 15 15 26564 1 . TYR 16 16 26564 1 . PHE 17 17 26564 1 . PHE 18 18 26564 1 . ALA 19 19 26564 1 . GLN 20 20 26564 1 . VAL 21 21 26564 1 . GLU 22 22 26564 1 . GLU 23 23 26564 1 . VAL 24 24 26564 1 . LEU 25 25 26564 1 . ASN 26 26 26564 1 . PRO 27 27 26564 1 . GLN 28 28 26564 1 . TYR 29 29 26564 1 . LYS 30 30 26564 1 . GLY 31 31 26564 1 . LYS 32 32 26564 1 . PRO 33 33 26564 1 . LEU 34 34 26564 1 . VAL 35 35 26564 1 . VAL 36 36 26564 1 . CYS 37 37 26564 1 . VAL 38 38 26564 1 . TYR 39 39 26564 1 . SER 40 40 26564 1 . GLY 41 41 26564 1 . ARG 42 42 26564 1 . THR 43 43 26564 1 . LYS 44 44 26564 1 . THR 45 45 26564 1 . SER 46 46 26564 1 . GLY 47 47 26564 1 . ALA 48 48 26564 1 . VAL 49 49 26564 1 . ALA 50 50 26564 1 . THR 51 51 26564 1 . ALA 52 52 26564 1 . ASN 53 53 26564 1 . TYR 54 54 26564 1 . GLU 55 55 26564 1 . ALA 56 56 26564 1 . ARG 57 57 26564 1 . LYS 58 58 26564 1 . LEU 59 59 26564 1 . GLY 60 60 26564 1 . VAL 61 61 26564 1 . LYS 62 62 26564 1 . ALA 63 63 26564 1 . GLY 64 64 26564 1 . MET 65 65 26564 1 . PRO 66 66 26564 1 . ILE 67 67 26564 1 . ILE 68 68 26564 1 . LYS 69 69 26564 1 . ALA 70 70 26564 1 . MET 71 71 26564 1 . GLN 72 72 26564 1 . ILE 73 73 26564 1 . ALA 74 74 26564 1 . PRO 75 75 26564 1 . SER 76 76 26564 1 . ALA 77 77 26564 1 . ILE 78 78 26564 1 . TYR 79 79 26564 1 . VAL 80 80 26564 1 . PRO 81 81 26564 1 . MET 82 82 26564 1 . ARG 83 83 26564 1 . LYS 84 84 26564 1 . PRO 85 85 26564 1 . ILE 86 86 26564 1 . TYR 87 87 26564 1 . GLU 88 88 26564 1 . ALA 89 89 26564 1 . PHE 90 90 26564 1 . SER 91 91 26564 1 . ASN 92 92 26564 1 . ARG 93 93 26564 1 . ILE 94 94 26564 1 . MET 95 95 26564 1 . ASN 96 96 26564 1 . LEU 97 97 26564 1 . LEU 98 98 26564 1 . ASN 99 99 26564 1 . LYS 100 100 26564 1 . HIS 101 101 26564 1 . ALA 102 102 26564 1 . ASP 103 103 26564 1 . LYS 104 104 26564 1 . ILE 105 105 26564 1 . GLU 106 106 26564 1 . VAL 107 107 26564 1 . ALA 108 108 26564 1 . SER 109 109 26564 1 . ILE 110 110 26564 1 . ASP 111 111 26564 1 . GLU 112 112 26564 1 . ALA 113 113 26564 1 . TYR 114 114 26564 1 . LEU 115 115 26564 1 . ASP 116 116 26564 1 . VAL 117 117 26564 1 . THR 118 118 26564 1 . ASN 119 119 26564 1 . LYS 120 120 26564 1 . VAL 121 121 26564 1 . GLU 122 122 26564 1 . GLY 123 123 26564 1 . ASN 124 124 26564 1 . PHE 125 125 26564 1 . GLU 126 126 26564 1 . ASN 127 127 26564 1 . GLY 128 128 26564 1 . ILE 129 129 26564 1 . GLU 130 130 26564 1 . LEU 131 131 26564 1 . ALA 132 132 26564 1 . ARG 133 133 26564 1 . LYS 134 134 26564 1 . ILE 135 135 26564 1 . LYS 136 136 26564 1 . GLN 137 137 26564 1 . GLU 138 138 26564 1 . ILE 139 139 26564 1 . LEU 140 140 26564 1 . GLU 141 141 26564 1 . LYS 142 142 26564 1 . GLU 143 143 26564 1 . LYS 144 144 26564 1 . ILE 145 145 26564 1 . THR 146 146 26564 1 . VAL 147 147 26564 1 . THR 148 148 26564 1 . VAL 149 149 26564 1 . GLY 150 150 26564 1 . VAL 151 151 26564 1 . ALA 152 152 26564 1 . PRO 153 153 26564 1 . ASN 154 154 26564 1 . LYS 155 155 26564 1 . ILE 156 156 26564 1 . LEU 157 157 26564 1 . ALA 158 158 26564 1 . LYS 159 159 26564 1 . ILE 160 160 26564 1 . ILE 161 161 26564 1 . ALA 162 162 26564 1 . ASP 163 163 26564 1 . LYS 164 164 26564 1 . SER 165 165 26564 1 . LYS 166 166 26564 1 . PRO 167 167 26564 1 . ASN 168 168 26564 1 . GLY 169 169 26564 1 . LEU 170 170 26564 1 . GLY 171 171 26564 1 . VAL 172 172 26564 1 . ILE 173 173 26564 1 . ARG 174 174 26564 1 . PRO 175 175 26564 1 . THR 176 176 26564 1 . GLU 177 177 26564 1 . VAL 178 178 26564 1 . GLN 179 179 26564 1 . ASP 180 180 26564 1 . PHE 181 181 26564 1 . LEU 182 182 26564 1 . ASN 183 183 26564 1 . GLU 184 184 26564 1 . LEU 185 185 26564 1 . ASP 186 186 26564 1 . ILE 187 187 26564 1 . ASP 188 188 26564 1 . GLU 189 189 26564 1 . ILE 190 190 26564 1 . PRO 191 191 26564 1 . GLY 192 192 26564 1 . ILE 193 193 26564 1 . GLY 194 194 26564 1 . SER 195 195 26564 1 . VAL 196 196 26564 1 . LEU 197 197 26564 1 . ALA 198 198 26564 1 . ARG 199 199 26564 1 . ARG 200 200 26564 1 . LEU 201 201 26564 1 . ASN 202 202 26564 1 . GLU 203 203 26564 1 . LEU 204 204 26564 1 . GLY 205 205 26564 1 . ILE 206 206 26564 1 . GLN 207 207 26564 1 . LYS 208 208 26564 1 . LEU 209 209 26564 1 . ARG 210 210 26564 1 . ASP 211 211 26564 1 . ILE 212 212 26564 1 . LEU 213 213 26564 1 . SER 214 214 26564 1 . LYS 215 215 26564 1 . ASN 216 216 26564 1 . TYR 217 217 26564 1 . ASN 218 218 26564 1 . GLU 219 219 26564 1 . LEU 220 220 26564 1 . GLU 221 221 26564 1 . LYS 222 222 26564 1 . ILE 223 223 26564 1 . THR 224 224 26564 1 . GLY 225 225 26564 1 . LYS 226 226 26564 1 . ALA 227 227 26564 1 . LYS 228 228 26564 1 . ALA 229 229 26564 1 . LEU 230 230 26564 1 . TYR 231 231 26564 1 . LEU 232 232 26564 1 . LEU 233 233 26564 1 . LYS 234 234 26564 1 . LEU 235 235 26564 1 . ALA 236 236 26564 1 . GLN 237 237 26564 1 . ASN 238 238 26564 1 . LYS 239 239 26564 1 . TYR 240 240 26564 1 . SER 241 241 26564 1 . GLU 242 242 26564 1 . PRO 243 243 26564 1 . VAL 244 244 26564 1 . GLU 245 245 26564 1 . ASN 246 246 26564 1 . LYS 247 247 26564 1 . SER 248 248 26564 1 . LYS 249 249 26564 1 . ILE 250 250 26564 1 . PRO 251 251 26564 1 . HIS 252 252 26564 1 . GLY 253 253 26564 1 . ARG 254 254 26564 1 . TYR 255 255 26564 1 . LEU 256 256 26564 1 . THR 257 257 26564 1 . LEU 258 258 26564 1 . PRO 259 259 26564 1 . TYR 260 260 26564 1 . ASN 261 261 26564 1 . THR 262 262 26564 1 . ARG 263 263 26564 1 . ASP 264 264 26564 1 . VAL 265 265 26564 1 . LYS 266 266 26564 1 . VAL 267 267 26564 1 . ILE 268 268 26564 1 . LEU 269 269 26564 1 . PRO 270 270 26564 1 . TYR 271 271 26564 1 . LEU 272 272 26564 1 . LYS 273 273 26564 1 . LYS 274 274 26564 1 . ALA 275 275 26564 1 . ILE 276 276 26564 1 . ASN 277 277 26564 1 . GLU 278 278 26564 1 . ALA 279 279 26564 1 . TYR 280 280 26564 1 . ASN 281 281 26564 1 . LYS 282 282 26564 1 . VAL 283 283 26564 1 . ASN 284 284 26564 1 . GLY 285 285 26564 1 . ILE 286 286 26564 1 . PRO 287 287 26564 1 . MET 288 288 26564 1 . ARG 289 289 26564 1 . ILE 290 290 26564 1 . THR 291 291 26564 1 . VAL 292 292 26564 1 . ILE 293 293 26564 1 . ALA 294 294 26564 1 . ILE 295 295 26564 1 . MET 296 296 26564 1 . GLU 297 297 26564 1 . ASP 298 298 26564 1 . LEU 299 299 26564 1 . ASP 300 300 26564 1 . ILE 301 301 26564 1 . LEU 302 302 26564 1 . SER 303 303 26564 1 . LYS 304 304 26564 1 . GLY 305 305 26564 1 . LYS 306 306 26564 1 . LYS 307 307 26564 1 . PHE 308 308 26564 1 . LYS 309 309 26564 1 . HIS 310 310 26564 1 . GLY 311 311 26564 1 . ILE 312 312 26564 1 . SER 313 313 26564 1 . ILE 314 314 26564 1 . ASP 315 315 26564 1 . ASN 316 316 26564 1 . ALA 317 317 26564 1 . TYR 318 318 26564 1 . LYS 319 319 26564 1 . VAL 320 320 26564 1 . ALA 321 321 26564 1 . GLU 322 322 26564 1 . ASP 323 323 26564 1 . LEU 324 324 26564 1 . LEU 325 325 26564 1 . ARG 326 326 26564 1 . GLU 327 327 26564 1 . LEU 328 328 26564 1 . LEU 329 329 26564 1 . VAL 330 330 26564 1 . ARG 331 331 26564 1 . ASP 332 332 26564 1 . LYS 333 333 26564 1 . ARG 334 334 26564 1 . ARG 335 335 26564 1 . ASN 336 336 26564 1 . VAL 337 337 26564 1 . ARG 338 338 26564 1 . ARG 339 339 26564 1 . ILE 340 340 26564 1 . GLY 341 341 26564 1 . VAL 342 342 26564 1 . LYS 343 343 26564 1 . LEU 344 344 26564 1 . ASP 345 345 26564 1 . ASN 346 346 26564 1 . ILE 347 347 26564 1 . ILE 348 348 26564 1 . ILE 349 349 26564 1 . ASN 350 350 26564 1 . LYS 351 351 26564 1 . THR 352 352 26564 1 . ASN 353 353 26564 1 . LEU 354 354 26564 1 . SER 355 355 26564 1 . ASP 356 356 26564 1 . PHE 357 357 26564 1 . PHE 358 358 26564 1 . ASP 359 359 26564 1 . ILE 360 360 26564 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26564 _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 $Dbh_C31S . 2285 organism . 'Sulfolobus acidocaldarius' 'Sulfolobus acidocaldarius' . . Archaea . Sulfolobus acidocaldarius . . . . . . . . . . . . . 26564 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 26564 _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 $Dbh_C31S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pKKT7-H . . . 26564 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 15N_DbhS _Sample.Entry_ID 26564 _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 'Dbh C31S' [U-15N] . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 1 stop_ save_ save_13C-15N-2H_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N-2H_DbhS _Sample.Entry_ID 26564 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dbh C31S' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 2 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 2 stop_ save_ save_14N_Arg-_15N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 14N_Arg-_15N_DbhS _Sample.Entry_ID 26564 _Sample.ID 3 _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 'Dbh C31S' '[U-15N; NA-Arg]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 3 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 3 stop_ save_ save_14N_Lys_15N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 14N_Lys_15N_DbhS _Sample.Entry_ID 26564 _Sample.ID 4 _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 'Dbh C31S' '[U-15N; NA-Lys]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 4 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 4 stop_ save_ save_14N_His_-_15N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 14N_His_-_15N_DbhS _Sample.Entry_ID 26564 _Sample.ID 5 _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 'Dbh C31S' '[U-15N; NA-His]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 5 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 5 stop_ save_ save_14N_Gly_15N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 14N_Gly_15N_DbhS _Sample.Entry_ID 26564 _Sample.ID 6 _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 'Dbh C31S' '[U-15N; NA-Gly]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 6 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 6 stop_ save_ save_14N_Asn_15N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 14N_Asn_15N_DbhS _Sample.Entry_ID 26564 _Sample.ID 7 _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 'Dbh C31S' '[U-15N; NA-Asn]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 7 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 7 stop_ save_ save_14N_Met_-_15N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 14N_Met_-_15N_DbhS _Sample.Entry_ID 26564 _Sample.ID 8 _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 'Dbh C31S' '[U-15N; NA-Met]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 8 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 8 stop_ save_ save_15N_Asp_-_14N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 15N_Asp_-_14N_DbhS _Sample.Entry_ID 26564 _Sample.ID 9 _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 'Dbh C31S' [U-15N-Asp] . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 9 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 9 stop_ save_ save_14N_Arg_Asn_Gly_Ser_-_15N_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 14N_Arg_Asn_Gly_Ser_-_15N_DbhS _Sample.Entry_ID 26564 _Sample.ID 10 _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 'Dbh C31S' '[U-15N; NA-Arg,Asn,Gly,Ser]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 10 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 10 stop_ save_ save_13CLeu_15N-2H_DbhS _Sample.Sf_category sample _Sample.Sf_framecode 13CLeu_15N-2H_DbhS _Sample.Entry_ID 26564 _Sample.ID 11 _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 'Dbh C31S' '[U-100% 13C-Leu; U-100% 15N; U-80% 2H]' . . 1 $Dbh_C31S . . 0.5 . . mM . . . . 26564 11 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26564 11 stop_ save_ ####################### # Sample conditions # ####################### save_35C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 35C _Sample_condition_list.Entry_ID 26564 _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' 100 . mM 26564 1 pH 7.5 . pH 26564 1 pressure 1 . atm 26564 1 temperature 308 . K 26564 1 stop_ save_ save_50C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 50C _Sample_condition_list.Entry_ID 26564 _Sample_condition_list.ID 2 _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' 100 . mM 26564 2 pH 7.5 . pH 26564 2 pressure 1 . atm 26564 2 temperature 323 . K 26564 2 stop_ save_ save_45C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 45C _Sample_condition_list.Entry_ID 26564 _Sample_condition_list.ID 3 _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' 100 . mM 26564 3 pH 7.5 . pH 26564 3 pressure 1 . atm 26564 3 temperature 318 . K 26564 3 stop_ save_ save_55C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 55C _Sample_condition_list.Entry_ID 26564 _Sample_condition_list.ID 4 _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' 100 . mM 26564 4 pH 7.5 . pH 26564 4 pressure 1 . atm 26564 4 temperature 328 . K 26564 4 stop_ save_ save_65C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 65C _Sample_condition_list.Entry_ID 26564 _Sample_condition_list.ID 5 _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' 100 . mM 26564 5 pH 7.5 . pH 26564 5 pressure 1 . atm 26564 5 temperature 338 . K 26564 5 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26564 _Software.ID 1 _Software.Name NMRPipe _Software.Version 7.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26564 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26564 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 26564 _Software.ID 2 _Software.Name CCPNMR_Analysis _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26564 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26564 2 'peak picking' 26564 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_INOVA _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_INOVA _NMR_spectrometer.Entry_ID 26564 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26564 _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 Varian_INOVA Varian INOVA . 800 . . . 26564 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 26564 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_DbhS isotropic . . 1 $35C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_DbhS isotropic . . 3 $45C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_DbhS isotropic . . 4 $55C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_DbhS isotropic . . 5 $65C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 7 '3D HNCO' no . . . . . . . . . . 2 $13C-15N-2H_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 8 '3D HNCACB' no . . . . . . . . . . 2 $13C-15N-2H_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $13C-15N-2H_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 10 '3D HN(CA)CO' no . . . . . . . . . . 2 $13C-15N-2H_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 11 '3D HNCA' no . . . . . . . . . . 2 $13C-15N-2H_DbhS isotropic . . 1 $35C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 12 '3D HN(CO)CA' no . . . . . . . . . . 2 $13C-15N-2H_DbhS isotropic . . 1 $35C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $14N_Lys_15N_DbhS isotropic . . 3 $45C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $14N_Lys_15N_DbhS isotropic . . 4 $55C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $14N_Arg-_15N_DbhS isotropic . . 3 $45C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $14N_Arg-_15N_DbhS isotropic . . 4 $55C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $14N_His_-_15N_DbhS isotropic . . 1 $35C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $14N_His_-_15N_DbhS isotropic . . 4 $55C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $14N_His_-_15N_DbhS isotropic . . 3 $45C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . 9 $15N_Asp_-_14N_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $14N_Met_-_15N_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 22 '2D 1H-15N HSQC' no . . . . . . . . . . 10 $14N_Arg_Asn_Gly_Ser_-_15N_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 23 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $14N_Gly_15N_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 24 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $13C-15N-2H_DbhS isotropic . . 1 $35C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 25 '3D HNCO' no . . . . . . . . . . 11 $13CLeu_15N-2H_DbhS isotropic . . 2 $50C . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 26564 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_2_2-dimethyl-2-silapentane-sulfonic_acid _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode 2_2-dimethyl-2-silapentane-sulfonic_acid _Chem_shift_reference.Entry_ID 26564 _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 . . . . . 26564 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26564 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26564 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_Dbh_35C_Chemical_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Dbh_35C_Chemical_Shifts _Assigned_chem_shift_list.Entry_ID 26564 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $35C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $2_2-dimethyl-2-silapentane-sulfonic_acid _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26564 1 11 '3D HNCA' . . . 26564 1 12 '3D HN(CO)CA' . . . 26564 1 17 '2D 1H-15N HSQC' . . . 26564 1 24 '2D 1H-15N HSQC' . . . 26564 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 $NMRPipe . . 26564 1 2 $CCPNMR_Analysis . . 26564 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 ILE H H 1 8.349 0.006 . 1 . . . . 2 ILE H . 26564 1 2 . 1 1 8 8 ILE CA C 13 61.859 0.000 . 1 . . . . 2 ILE CA . 26564 1 3 . 1 1 8 8 ILE N N 15 120.228 0.038 . 1 . . . . 2 ILE N . 26564 1 4 . 1 1 9 9 VAL H H 1 8.378 0.000 . 1 . . . . 3 VAL H . 26564 1 5 . 1 1 9 9 VAL CA C 13 59.915 0.000 . 1 . . . . 3 VAL CA . 26564 1 6 . 1 1 9 9 VAL N N 15 126.351 0.000 . 1 . . . . 3 VAL N . 26564 1 7 . 1 1 10 10 ILE H H 1 9.064 0.001 . 1 . . . . 4 ILE H . 26564 1 8 . 1 1 10 10 ILE CA C 13 60.393 0.000 . 1 . . . . 4 ILE CA . 26564 1 9 . 1 1 10 10 ILE N N 15 128.876 0.026 . 1 . . . . 4 ILE N . 26564 1 10 . 1 1 11 11 PHE H H 1 8.274 0.000 . 1 . . . . 5 PHE H . 26564 1 11 . 1 1 11 11 PHE N N 15 126.808 0.000 . 1 . . . . 5 PHE N . 26564 1 12 . 1 1 12 12 VAL CA C 13 60.562 0.053 . 1 . . . . 6 VAL CA . 26564 1 13 . 1 1 13 13 ASP H H 1 8.419 0.023 . 1 . . . . 7 ASP H . 26564 1 14 . 1 1 13 13 ASP CA C 13 50.676 0.029 . 1 . . . . 7 ASP CA . 26564 1 15 . 1 1 13 13 ASP N N 15 125.213 0.148 . 1 . . . . 7 ASP N . 26564 1 16 . 1 1 14 14 PHE H H 1 8.365 0.023 . 1 . . . . 8 PHE H . 26564 1 17 . 1 1 14 14 PHE CA C 13 53.518 0.000 . 1 . . . . 8 PHE CA . 26564 1 18 . 1 1 14 14 PHE N N 15 125.096 0.104 . 1 . . . . 8 PHE N . 26564 1 19 . 1 1 15 15 ASP H H 1 7.437 0.006 . 1 . . . . 9 ASP H . 26564 1 20 . 1 1 15 15 ASP CA C 13 55.549 0.000 . 1 . . . . 9 ASP CA . 26564 1 21 . 1 1 15 15 ASP N N 15 122.801 0.124 . 1 . . . . 9 ASP N . 26564 1 22 . 1 1 16 16 TYR H H 1 8.872 0.004 . 1 . . . . 10 TYR H . 26564 1 23 . 1 1 16 16 TYR CA C 13 56.336 0.010 . 1 . . . . 10 TYR CA . 26564 1 24 . 1 1 16 16 TYR N N 15 121.525 0.003 . 1 . . . . 10 TYR N . 26564 1 25 . 1 1 17 17 PHE H H 1 8.019 0.001 . 1 . . . . 11 PHE H . 26564 1 26 . 1 1 17 17 PHE CA C 13 61.571 0.006 . 1 . . . . 11 PHE CA . 26564 1 27 . 1 1 17 17 PHE N N 15 117.874 0.022 . 1 . . . . 11 PHE N . 26564 1 28 . 1 1 18 18 PHE H H 1 8.777 0.009 . 1 . . . . 12 PHE H . 26564 1 29 . 1 1 18 18 PHE CA C 13 56.697 0.013 . 1 . . . . 12 PHE CA . 26564 1 30 . 1 1 18 18 PHE N N 15 114.325 0.111 . 1 . . . . 12 PHE N . 26564 1 31 . 1 1 19 19 ALA H H 1 6.868 0.002 . 1 . . . . 13 ALA H . 26564 1 32 . 1 1 19 19 ALA CA C 13 53.698 0.041 . 1 . . . . 13 ALA CA . 26564 1 33 . 1 1 19 19 ALA N N 15 114.091 0.075 . 1 . . . . 13 ALA N . 26564 1 34 . 1 1 20 20 GLN H H 1 8.222 0.008 . 1 . . . . 14 GLN H . 26564 1 35 . 1 1 20 20 GLN CA C 13 59.729 0.023 . 1 . . . . 14 GLN CA . 26564 1 36 . 1 1 20 20 GLN N N 15 118.925 0.030 . 1 . . . . 14 GLN N . 26564 1 37 . 1 1 21 21 VAL H H 1 8.131 0.004 . 1 . . . . 15 VAL H . 26564 1 38 . 1 1 21 21 VAL CA C 13 66.284 0.029 . 1 . . . . 15 VAL CA . 26564 1 39 . 1 1 21 21 VAL N N 15 117.541 0.059 . 1 . . . . 15 VAL N . 26564 1 40 . 1 1 22 22 GLU H H 1 7.116 0.006 . 1 . . . . 16 GLU H . 26564 1 41 . 1 1 22 22 GLU N N 15 115.232 0.029 . 1 . . . . 16 GLU N . 26564 1 42 . 1 1 23 23 GLU H H 1 7.910 0.002 . 1 . . . . 17 GLU H . 26564 1 43 . 1 1 23 23 GLU CA C 13 58.898 0.010 . 1 . . . . 17 GLU CA . 26564 1 44 . 1 1 23 23 GLU N N 15 119.115 0.023 . 1 . . . . 17 GLU N . 26564 1 45 . 1 1 24 24 VAL H H 1 8.120 0.002 . 1 . . . . 18 VAL H . 26564 1 46 . 1 1 24 24 VAL CA C 13 65.394 0.072 . 1 . . . . 18 VAL CA . 26564 1 47 . 1 1 24 24 VAL N N 15 119.437 0.052 . 1 . . . . 18 VAL N . 26564 1 48 . 1 1 25 25 LEU H H 1 8.036 0.002 . 1 . . . . 19 LEU H . 26564 1 49 . 1 1 25 25 LEU CA C 13 55.816 0.011 . 1 . . . . 19 LEU CA . 26564 1 50 . 1 1 25 25 LEU N N 15 117.617 0.067 . 1 . . . . 19 LEU N . 26564 1 51 . 1 1 26 26 ASN H H 1 7.545 0.005 . 1 . . . . 20 ASN H . 26564 1 52 . 1 1 26 26 ASN CA C 13 50.438 0.000 . 1 . . . . 20 ASN CA . 26564 1 53 . 1 1 26 26 ASN N N 15 116.272 0.019 . 1 . . . . 20 ASN N . 26564 1 54 . 1 1 27 27 PRO CA C 13 64.345 0.053 . 1 . . . . 21 PRO CA . 26564 1 55 . 1 1 28 28 GLN H H 1 8.957 0.010 . 1 . . . . 22 GLN H . 26564 1 56 . 1 1 28 28 GLN CA C 13 57.305 0.061 . 1 . . . . 22 GLN CA . 26564 1 57 . 1 1 28 28 GLN N N 15 118.828 0.091 . 1 . . . . 22 GLN N . 26564 1 58 . 1 1 29 29 TYR H H 1 8.545 0.005 . 1 . . . . 23 TYR H . 26564 1 59 . 1 1 29 29 TYR CA C 13 54.411 0.013 . 1 . . . . 23 TYR CA . 26564 1 60 . 1 1 29 29 TYR N N 15 120.008 0.047 . 1 . . . . 23 TYR N . 26564 1 61 . 1 1 30 30 LYS H H 1 7.352 0.001 . 1 . . . . 24 LYS H . 26564 1 62 . 1 1 30 30 LYS CA C 13 58.079 0.014 . 1 . . . . 24 LYS CA . 26564 1 63 . 1 1 30 30 LYS N N 15 117.817 0.051 . 1 . . . . 24 LYS N . 26564 1 64 . 1 1 31 31 GLY H H 1 9.310 0.013 . 1 . . . . 25 GLY H . 26564 1 65 . 1 1 31 31 GLY CA C 13 44.786 0.001 . 1 . . . . 25 GLY CA . 26564 1 66 . 1 1 31 31 GLY N N 15 114.132 0.055 . 1 . . . . 25 GLY N . 26564 1 67 . 1 1 32 32 LYS H H 1 7.963 0.001 . 1 . . . . 26 LYS H . 26564 1 68 . 1 1 32 32 LYS N N 15 120.827 0.036 . 1 . . . . 26 LYS N . 26564 1 69 . 1 1 33 33 PRO CA C 13 62.598 0.006 . 1 . . . . 27 PRO CA . 26564 1 70 . 1 1 34 34 LEU H H 1 8.141 0.005 . 1 . . . . 28 LEU H . 26564 1 71 . 1 1 34 34 LEU CA C 13 54.191 0.010 . 1 . . . . 28 LEU CA . 26564 1 72 . 1 1 34 34 LEU N N 15 128.353 0.038 . 1 . . . . 28 LEU N . 26564 1 73 . 1 1 35 35 VAL H H 1 9.002 0.001 . 1 . . . . 29 VAL H . 26564 1 74 . 1 1 35 35 VAL CA C 13 60.506 0.007 . 1 . . . . 29 VAL CA . 26564 1 75 . 1 1 35 35 VAL N N 15 126.469 0.033 . 1 . . . . 29 VAL N . 26564 1 76 . 1 1 36 36 VAL H H 1 8.696 0.009 . 1 . . . . 30 VAL H . 26564 1 77 . 1 1 36 36 VAL CA C 13 60.750 0.031 . 1 . . . . 30 VAL CA . 26564 1 78 . 1 1 36 36 VAL N N 15 127.165 0.045 . 1 . . . . 30 VAL N . 26564 1 79 . 1 1 37 37 SER H H 1 9.433 0.003 . 1 . . . . 31 SER H . 26564 1 80 . 1 1 37 37 SER CA C 13 57.531 0.015 . 1 . . . . 31 SER CA . 26564 1 81 . 1 1 37 37 SER N N 15 125.492 0.021 . 1 . . . . 31 SER N . 26564 1 82 . 1 1 38 38 VAL H H 1 8.927 0.001 . 1 . . . . 32 VAL H . 26564 1 83 . 1 1 38 38 VAL CA C 13 60.345 0.000 . 1 . . . . 32 VAL CA . 26564 1 84 . 1 1 38 38 VAL N N 15 121.175 0.036 . 1 . . . . 32 VAL N . 26564 1 85 . 1 1 39 39 TYR H H 1 9.067 0.000 . 1 . . . . 33 TYR H . 26564 1 86 . 1 1 39 39 TYR N N 15 124.032 0.000 . 1 . . . . 33 TYR N . 26564 1 87 . 1 1 47 47 GLY CA C 13 44.822 0.017 . 1 . . . . 41 GLY CA . 26564 1 88 . 1 1 48 48 ALA H H 1 8.686 0.005 . 1 . . . . 42 ALA H . 26564 1 89 . 1 1 48 48 ALA CA C 13 50.197 0.057 . 1 . . . . 42 ALA CA . 26564 1 90 . 1 1 48 48 ALA N N 15 124.129 0.043 . 1 . . . . 42 ALA N . 26564 1 91 . 1 1 49 49 VAL H H 1 8.745 0.004 . 1 . . . . 43 VAL H . 26564 1 92 . 1 1 49 49 VAL CA C 13 63.351 0.027 . 1 . . . . 43 VAL CA . 26564 1 93 . 1 1 49 49 VAL N N 15 120.253 0.043 . 1 . . . . 43 VAL N . 26564 1 94 . 1 1 50 50 ALA H H 1 9.945 0.003 . 1 . . . . 44 ALA H . 26564 1 95 . 1 1 50 50 ALA CA C 13 53.585 0.026 . 1 . . . . 44 ALA CA . 26564 1 96 . 1 1 50 50 ALA N N 15 133.652 0.000 . 1 . . . . 44 ALA N . 26564 1 97 . 1 1 51 51 THR H H 1 7.739 0.008 . 1 . . . . 45 THR H . 26564 1 98 . 1 1 51 51 THR CA C 13 61.400 0.002 . 1 . . . . 45 THR CA . 26564 1 99 . 1 1 51 51 THR N N 15 109.379 0.080 . 1 . . . . 45 THR N . 26564 1 100 . 1 1 52 52 ALA H H 1 8.672 0.018 . 1 . . . . 46 ALA H . 26564 1 101 . 1 1 52 52 ALA CA C 13 49.369 0.042 . 1 . . . . 46 ALA CA . 26564 1 102 . 1 1 52 52 ALA N N 15 127.805 0.060 . 1 . . . . 46 ALA N . 26564 1 103 . 1 1 53 53 ASN H H 1 8.360 0.000 . 1 . . . . 47 ASN H . 26564 1 104 . 1 1 53 53 ASN CA C 13 50.493 0.053 . 1 . . . . 47 ASN CA . 26564 1 105 . 1 1 53 53 ASN N N 15 119.049 0.058 . 1 . . . . 47 ASN N . 26564 1 106 . 1 1 54 54 TYR H H 1 7.847 0.005 . 1 . . . . 48 TYR H . 26564 1 107 . 1 1 54 54 TYR CA C 13 62.290 0.007 . 1 . . . . 48 TYR CA . 26564 1 108 . 1 1 54 54 TYR N N 15 119.189 0.009 . 1 . . . . 48 TYR N . 26564 1 109 . 1 1 55 55 GLU H H 1 8.795 0.018 . 1 . . . . 49 GLU H . 26564 1 110 . 1 1 55 55 GLU CA C 13 60.096 0.007 . 1 . . . . 49 GLU CA . 26564 1 111 . 1 1 55 55 GLU N N 15 118.858 0.061 . 1 . . . . 49 GLU N . 26564 1 112 . 1 1 56 56 ALA H H 1 7.761 0.002 . 1 . . . . 50 ALA H . 26564 1 113 . 1 1 56 56 ALA CA C 13 54.234 0.033 . 1 . . . . 50 ALA CA . 26564 1 114 . 1 1 56 56 ALA N N 15 119.626 0.023 . 1 . . . . 50 ALA N . 26564 1 115 . 1 1 57 57 ARG H H 1 8.622 0.003 . 1 . . . . 51 ARG H . 26564 1 116 . 1 1 57 57 ARG N N 15 121.104 0.022 . 1 . . . . 51 ARG N . 26564 1 117 . 1 1 58 58 LYS H H 1 8.045 0.002 . 1 . . . . 52 LYS H . 26564 1 118 . 1 1 58 58 LYS N N 15 120.945 0.098 . 1 . . . . 52 LYS N . 26564 1 119 . 1 1 59 59 LEU H H 1 6.938 0.003 . 1 . . . . 53 LEU H . 26564 1 120 . 1 1 59 59 LEU CA C 13 54.873 0.012 . 1 . . . . 53 LEU CA . 26564 1 121 . 1 1 59 59 LEU N N 15 116.393 0.041 . 1 . . . . 53 LEU N . 26564 1 122 . 1 1 60 60 GLY H H 1 7.609 0.006 . 1 . . . . 54 GLY H . 26564 1 123 . 1 1 60 60 GLY CA C 13 44.016 0.020 . 1 . . . . 54 GLY CA . 26564 1 124 . 1 1 60 60 GLY N N 15 103.186 0.052 . 1 . . . . 54 GLY N . 26564 1 125 . 1 1 61 61 VAL H H 1 7.315 0.008 . 1 . . . . 55 VAL H . 26564 1 126 . 1 1 61 61 VAL CA C 13 63.652 0.012 . 1 . . . . 55 VAL CA . 26564 1 127 . 1 1 61 61 VAL N N 15 119.952 0.029 . 1 . . . . 55 VAL N . 26564 1 128 . 1 1 62 62 LYS H H 1 7.044 0.000 . 1 . . . . 56 LYS H . 26564 1 129 . 1 1 62 62 LYS CA C 13 53.661 0.000 . 1 . . . . 56 LYS CA . 26564 1 130 . 1 1 62 62 LYS N N 15 123.903 0.044 . 1 . . . . 56 LYS N . 26564 1 131 . 1 1 63 63 ALA CA C 13 53.267 0.000 . 1 . . . . 57 ALA CA . 26564 1 132 . 1 1 64 64 GLY H H 1 9.005 0.000 . 1 . . . . 58 GLY H . 26564 1 133 . 1 1 64 64 GLY CA C 13 44.643 0.000 . 1 . . . . 58 GLY CA . 26564 1 134 . 1 1 64 64 GLY N N 15 111.260 0.073 . 1 . . . . 58 GLY N . 26564 1 135 . 1 1 65 65 MET H H 1 7.623 0.001 . 1 . . . . 59 MET H . 26564 1 136 . 1 1 65 65 MET CA C 13 54.185 0.000 . 1 . . . . 59 MET CA . 26564 1 137 . 1 1 65 65 MET N N 15 122.099 0.015 . 1 . . . . 59 MET N . 26564 1 138 . 1 1 67 67 ILE H H 1 8.405 0.005 . 1 . . . . 61 ILE H . 26564 1 139 . 1 1 67 67 ILE N N 15 128.063 0.016 . 1 . . . . 61 ILE N . 26564 1 140 . 1 1 68 68 ILE H H 1 8.355 0.001 . 1 . . . . 62 ILE H . 26564 1 141 . 1 1 68 68 ILE CA C 13 63.417 0.008 . 1 . . . . 62 ILE CA . 26564 1 142 . 1 1 68 68 ILE N N 15 117.193 0.030 . 1 . . . . 62 ILE N . 26564 1 143 . 1 1 69 69 LYS H H 1 6.716 0.002 . 1 . . . . 63 LYS H . 26564 1 144 . 1 1 69 69 LYS CA C 13 57.136 0.032 . 1 . . . . 63 LYS CA . 26564 1 145 . 1 1 69 69 LYS N N 15 119.799 0.059 . 1 . . . . 63 LYS N . 26564 1 146 . 1 1 70 70 ALA H H 1 7.995 0.003 . 1 . . . . 64 ALA H . 26564 1 147 . 1 1 70 70 ALA CA C 13 55.173 0.015 . 1 . . . . 64 ALA CA . 26564 1 148 . 1 1 70 70 ALA N N 15 123.454 0.031 . 1 . . . . 64 ALA N . 26564 1 149 . 1 1 71 71 MET H H 1 8.403 0.004 . 1 . . . . 65 MET H . 26564 1 150 . 1 1 71 71 MET CA C 13 58.251 0.000 . 1 . . . . 65 MET CA . 26564 1 151 . 1 1 71 71 MET N N 15 114.112 0.081 . 1 . . . . 65 MET N . 26564 1 152 . 1 1 72 72 GLN H H 1 7.233 0.003 . 1 . . . . 66 GLN H . 26564 1 153 . 1 1 72 72 GLN CA C 13 57.585 0.000 . 1 . . . . 66 GLN CA . 26564 1 154 . 1 1 72 72 GLN N N 15 116.312 0.046 . 1 . . . . 66 GLN N . 26564 1 155 . 1 1 73 73 ILE H H 1 7.365 0.000 . 1 . . . . 67 ILE H . 26564 1 156 . 1 1 73 73 ILE CA C 13 62.358 0.008 . 1 . . . . 67 ILE CA . 26564 1 157 . 1 1 73 73 ILE N N 15 115.284 0.005 . 1 . . . . 67 ILE N . 26564 1 158 . 1 1 74 74 ALA H H 1 8.701 0.001 . 1 . . . . 68 ALA H . 26564 1 159 . 1 1 74 74 ALA CA C 13 49.245 0.000 . 1 . . . . 68 ALA CA . 26564 1 160 . 1 1 74 74 ALA N N 15 122.475 0.030 . 1 . . . . 68 ALA N . 26564 1 161 . 1 1 76 76 SER CA C 13 57.307 0.000 . 1 . . . . 70 SER CA . 26564 1 162 . 1 1 77 77 ALA H H 1 7.043 0.002 . 1 . . . . 71 ALA H . 26564 1 163 . 1 1 77 77 ALA CA C 13 51.207 0.026 . 1 . . . . 71 ALA CA . 26564 1 164 . 1 1 77 77 ALA N N 15 122.570 0.020 . 1 . . . . 71 ALA N . 26564 1 165 . 1 1 78 78 ILE H H 1 8.038 0.001 . 1 . . . . 72 ILE H . 26564 1 166 . 1 1 78 78 ILE CA C 13 59.981 0.006 . 1 . . . . 72 ILE CA . 26564 1 167 . 1 1 78 78 ILE N N 15 120.604 0.009 . 1 . . . . 72 ILE N . 26564 1 168 . 1 1 79 79 TYR H H 1 8.380 0.003 . 1 . . . . 73 TYR H . 26564 1 169 . 1 1 79 79 TYR CA C 13 57.052 0.021 . 1 . . . . 73 TYR CA . 26564 1 170 . 1 1 79 79 TYR N N 15 126.860 0.048 . 1 . . . . 73 TYR N . 26564 1 171 . 1 1 80 80 VAL H H 1 8.903 0.006 . 1 . . . . 74 VAL H . 26564 1 172 . 1 1 80 80 VAL CA C 13 57.012 0.000 . 1 . . . . 74 VAL CA . 26564 1 173 . 1 1 80 80 VAL N N 15 119.626 0.033 . 1 . . . . 74 VAL N . 26564 1 174 . 1 1 81 81 PRO CA C 13 61.411 0.000 . 1 . . . . 75 PRO CA . 26564 1 175 . 1 1 82 82 MET H H 1 8.239 0.002 . 1 . . . . 76 MET H . 26564 1 176 . 1 1 82 82 MET CA C 13 56.583 0.016 . 1 . . . . 76 MET CA . 26564 1 177 . 1 1 82 82 MET N N 15 119.106 0.044 . 1 . . . . 76 MET N . 26564 1 178 . 1 1 83 83 ARG H H 1 7.421 0.011 . 1 . . . . 77 ARG H . 26564 1 179 . 1 1 83 83 ARG CA C 13 53.431 0.019 . 1 . . . . 77 ARG CA . 26564 1 180 . 1 1 83 83 ARG N N 15 127.385 0.015 . 1 . . . . 77 ARG N . 26564 1 181 . 1 1 84 84 LYS H H 1 8.190 0.001 . 1 . . . . 78 LYS H . 26564 1 182 . 1 1 84 84 LYS CA C 13 60.968 0.000 . 1 . . . . 78 LYS CA . 26564 1 183 . 1 1 84 84 LYS N N 15 121.595 0.012 . 1 . . . . 78 LYS N . 26564 1 184 . 1 1 85 85 PRO CA C 13 65.726 0.036 . 1 . . . . 79 PRO CA . 26564 1 185 . 1 1 86 86 ILE H H 1 6.826 0.005 . 1 . . . . 80 ILE H . 26564 1 186 . 1 1 86 86 ILE CA C 13 62.575 0.000 . 1 . . . . 80 ILE CA . 26564 1 187 . 1 1 86 86 ILE N N 15 117.157 0.036 . 1 . . . . 80 ILE N . 26564 1 188 . 1 1 87 87 TYR H H 1 6.876 0.003 . 1 . . . . 81 TYR H . 26564 1 189 . 1 1 87 87 TYR CA C 13 57.318 0.026 . 1 . . . . 81 TYR CA . 26564 1 190 . 1 1 87 87 TYR N N 15 122.193 0.032 . 1 . . . . 81 TYR N . 26564 1 191 . 1 1 88 88 GLU H H 1 8.959 0.004 . 1 . . . . 82 GLU H . 26564 1 192 . 1 1 88 88 GLU CA C 13 59.496 0.007 . 1 . . . . 82 GLU CA . 26564 1 193 . 1 1 88 88 GLU N N 15 119.054 0.122 . 1 . . . . 82 GLU N . 26564 1 194 . 1 1 89 89 ALA H H 1 7.693 0.004 . 1 . . . . 83 ALA H . 26564 1 195 . 1 1 89 89 ALA CA C 13 55.132 0.028 . 1 . . . . 83 ALA CA . 26564 1 196 . 1 1 89 89 ALA N N 15 122.529 0.010 . 1 . . . . 83 ALA N . 26564 1 197 . 1 1 90 90 PHE H H 1 8.236 0.005 . 1 . . . . 84 PHE H . 26564 1 198 . 1 1 90 90 PHE CA C 13 61.222 0.037 . 1 . . . . 84 PHE CA . 26564 1 199 . 1 1 90 90 PHE N N 15 118.754 0.057 . 1 . . . . 84 PHE N . 26564 1 200 . 1 1 91 91 SER H H 1 8.908 0.003 . 1 . . . . 85 SER H . 26564 1 201 . 1 1 91 91 SER CA C 13 61.322 0.023 . 1 . . . . 85 SER CA . 26564 1 202 . 1 1 91 91 SER N N 15 111.903 0.045 . 1 . . . . 85 SER N . 26564 1 203 . 1 1 92 92 ASN H H 1 8.801 0.006 . 1 . . . . 86 ASN H . 26564 1 204 . 1 1 92 92 ASN CA C 13 56.444 0.024 . 1 . . . . 86 ASN CA . 26564 1 205 . 1 1 92 92 ASN N N 15 116.470 0.090 . 1 . . . . 86 ASN N . 26564 1 206 . 1 1 93 93 ARG H H 1 7.723 0.002 . 1 . . . . 87 ARG H . 26564 1 207 . 1 1 93 93 ARG CA C 13 60.353 0.042 . 1 . . . . 87 ARG CA . 26564 1 208 . 1 1 93 93 ARG N N 15 117.667 0.037 . 1 . . . . 87 ARG N . 26564 1 209 . 1 1 94 94 ILE H H 1 8.079 0.005 . 1 . . . . 88 ILE H . 26564 1 210 . 1 1 94 94 ILE CA C 13 65.472 0.028 . 1 . . . . 88 ILE CA . 26564 1 211 . 1 1 94 94 ILE N N 15 121.090 0.061 . 1 . . . . 88 ILE N . 26564 1 212 . 1 1 95 95 MET H H 1 9.427 0.005 . 1 . . . . 89 MET H . 26564 1 213 . 1 1 95 95 MET CA C 13 57.799 0.027 . 1 . . . . 89 MET CA . 26564 1 214 . 1 1 95 95 MET N N 15 118.622 0.042 . 1 . . . . 89 MET N . 26564 1 215 . 1 1 96 96 ASN H H 1 7.853 0.002 . 1 . . . . 90 ASN H . 26564 1 216 . 1 1 96 96 ASN CA C 13 55.905 0.008 . 1 . . . . 90 ASN CA . 26564 1 217 . 1 1 96 96 ASN N N 15 116.412 0.070 . 1 . . . . 90 ASN N . 26564 1 218 . 1 1 97 97 LEU H H 1 7.590 0.002 . 1 . . . . 91 LEU H . 26564 1 219 . 1 1 97 97 LEU CA C 13 57.788 0.024 . 1 . . . . 91 LEU CA . 26564 1 220 . 1 1 97 97 LEU N N 15 122.049 0.013 . 1 . . . . 91 LEU N . 26564 1 221 . 1 1 98 98 LEU H H 1 8.170 0.005 . 1 . . . . 92 LEU H . 26564 1 222 . 1 1 98 98 LEU CA C 13 57.181 0.013 . 1 . . . . 92 LEU CA . 26564 1 223 . 1 1 98 98 LEU N N 15 117.182 0.037 . 1 . . . . 92 LEU N . 26564 1 224 . 1 1 99 99 ASN H H 1 7.876 0.004 . 1 . . . . 93 ASN H . 26564 1 225 . 1 1 99 99 ASN CA C 13 55.990 0.008 . 1 . . . . 93 ASN CA . 26564 1 226 . 1 1 99 99 ASN N N 15 115.324 0.012 . 1 . . . . 93 ASN N . 26564 1 227 . 1 1 100 100 LYS H H 1 7.224 0.001 . 1 . . . . 94 LYS H . 26564 1 228 . 1 1 100 100 LYS CA C 13 57.278 0.035 . 1 . . . . 94 LYS CA . 26564 1 229 . 1 1 100 100 LYS N N 15 114.343 0.022 . 1 . . . . 94 LYS N . 26564 1 230 . 1 1 101 101 HIS H H 1 7.407 0.010 . 1 . . . . 95 HIS H . 26564 1 231 . 1 1 101 101 HIS CA C 13 56.173 0.015 . 1 . . . . 95 HIS CA . 26564 1 232 . 1 1 101 101 HIS N N 15 116.706 0.048 . 1 . . . . 95 HIS N . 26564 1 233 . 1 1 102 102 ALA H H 1 7.072 0.003 . 1 . . . . 96 ALA H . 26564 1 234 . 1 1 102 102 ALA CA C 13 50.746 0.018 . 1 . . . . 96 ALA CA . 26564 1 235 . 1 1 102 102 ALA N N 15 116.638 0.054 . 1 . . . . 96 ALA N . 26564 1 236 . 1 1 103 103 ASP H H 1 8.845 0.001 . 1 . . . . 97 ASP H . 26564 1 237 . 1 1 103 103 ASP CA C 13 56.674 0.012 . 1 . . . . 97 ASP CA . 26564 1 238 . 1 1 103 103 ASP N N 15 121.098 0.020 . 1 . . . . 97 ASP N . 26564 1 239 . 1 1 104 104 LYS H H 1 7.535 0.003 . 1 . . . . 98 LYS H . 26564 1 240 . 1 1 104 104 LYS CA C 13 54.985 0.033 . 1 . . . . 98 LYS CA . 26564 1 241 . 1 1 104 104 LYS N N 15 114.850 0.097 . 1 . . . . 98 LYS N . 26564 1 242 . 1 1 105 105 ILE H H 1 8.635 0.002 . 1 . . . . 99 ILE H . 26564 1 243 . 1 1 105 105 ILE CA C 13 58.614 0.004 . 1 . . . . 99 ILE CA . 26564 1 244 . 1 1 105 105 ILE N N 15 122.064 0.018 . 1 . . . . 99 ILE N . 26564 1 245 . 1 1 106 106 GLU H H 1 9.338 0.011 . 1 . . . . 100 GLU H . 26564 1 246 . 1 1 106 106 GLU CA C 13 54.187 0.029 . 1 . . . . 100 GLU CA . 26564 1 247 . 1 1 106 106 GLU N N 15 128.621 0.130 . 1 . . . . 100 GLU N . 26564 1 248 . 1 1 107 107 VAL H H 1 8.863 0.001 . 1 . . . . 101 VAL H . 26564 1 249 . 1 1 107 107 VAL CA C 13 63.054 0.011 . 1 . . . . 101 VAL CA . 26564 1 250 . 1 1 107 107 VAL N N 15 128.948 0.052 . 1 . . . . 101 VAL N . 26564 1 251 . 1 1 108 108 ALA H H 1 8.298 0.004 . 1 . . . . 102 ALA H . 26564 1 252 . 1 1 108 108 ALA CA C 13 53.097 0.064 . 1 . . . . 102 ALA CA . 26564 1 253 . 1 1 108 108 ALA N N 15 133.133 0.064 . 1 . . . . 102 ALA N . 26564 1 254 . 1 1 109 109 SER H H 1 8.508 0.002 . 1 . . . . 103 SER H . 26564 1 255 . 1 1 109 109 SER CA C 13 56.566 0.000 . 1 . . . . 103 SER CA . 26564 1 256 . 1 1 109 109 SER N N 15 112.467 0.036 . 1 . . . . 103 SER N . 26564 1 257 . 1 1 110 110 ILE CA C 13 62.650 0.041 . 1 . . . . 104 ILE CA . 26564 1 258 . 1 1 111 111 ASP H H 1 8.018 0.007 . 1 . . . . 105 ASP H . 26564 1 259 . 1 1 111 111 ASP CA C 13 50.493 0.018 . 1 . . . . 105 ASP CA . 26564 1 260 . 1 1 111 111 ASP N N 15 116.302 0.050 . 1 . . . . 105 ASP N . 26564 1 261 . 1 1 112 112 GLU H H 1 6.436 0.006 . 1 . . . . 106 GLU H . 26564 1 262 . 1 1 112 112 GLU CA C 13 54.391 0.006 . 1 . . . . 106 GLU CA . 26564 1 263 . 1 1 112 112 GLU N N 15 113.689 0.089 . 1 . . . . 106 GLU N . 26564 1 264 . 1 1 113 113 ALA H H 1 8.187 0.008 . 1 . . . . 107 ALA H . 26564 1 265 . 1 1 113 113 ALA CA C 13 50.635 0.089 . 1 . . . . 107 ALA CA . 26564 1 266 . 1 1 113 113 ALA N N 15 121.877 0.073 . 1 . . . . 107 ALA N . 26564 1 267 . 1 1 114 114 TYR H H 1 9.054 0.012 . 1 . . . . 108 TYR H . 26564 1 268 . 1 1 114 114 TYR CA C 13 56.742 0.000 . 1 . . . . 108 TYR CA . 26564 1 269 . 1 1 114 114 TYR N N 15 115.993 0.056 . 1 . . . . 108 TYR N . 26564 1 270 . 1 1 115 115 LEU H H 1 10.143 0.000 . 1 . . . . 109 LEU H . 26564 1 271 . 1 1 115 115 LEU CA C 13 53.912 0.000 . 1 . . . . 109 LEU CA . 26564 1 272 . 1 1 115 115 LEU N N 15 124.529 0.000 . 1 . . . . 109 LEU N . 26564 1 273 . 1 1 116 116 ASP H H 1 8.690 0.012 . 1 . . . . 110 ASP H . 26564 1 274 . 1 1 116 116 ASP CA C 13 53.285 0.103 . 1 . . . . 110 ASP CA . 26564 1 275 . 1 1 116 116 ASP N N 15 123.528 0.026 . 1 . . . . 110 ASP N . 26564 1 276 . 1 1 117 117 VAL H H 1 8.294 0.005 . 1 . . . . 111 VAL H . 26564 1 277 . 1 1 117 117 VAL N N 15 118.255 0.028 . 1 . . . . 111 VAL N . 26564 1 278 . 1 1 119 119 ASN CA C 13 55.667 0.000 . 1 . . . . 113 ASN CA . 26564 1 279 . 1 1 120 120 LYS H H 1 9.191 0.019 . 1 . . . . 114 LYS H . 26564 1 280 . 1 1 120 120 LYS CA C 13 57.899 0.040 . 1 . . . . 114 LYS CA . 26564 1 281 . 1 1 120 120 LYS N N 15 126.708 0.061 . 1 . . . . 114 LYS N . 26564 1 282 . 1 1 121 121 VAL H H 1 7.629 0.003 . 1 . . . . 115 VAL H . 26564 1 283 . 1 1 121 121 VAL CA C 13 59.297 0.015 . 1 . . . . 115 VAL CA . 26564 1 284 . 1 1 121 121 VAL N N 15 106.600 0.075 . 1 . . . . 115 VAL N . 26564 1 285 . 1 1 122 122 GLU H H 1 8.194 0.000 . 1 . . . . 116 GLU H . 26564 1 286 . 1 1 122 122 GLU CA C 13 56.665 0.011 . 1 . . . . 116 GLU CA . 26564 1 287 . 1 1 122 122 GLU N N 15 122.018 0.018 . 1 . . . . 116 GLU N . 26564 1 288 . 1 1 123 123 GLY H H 1 8.799 0.001 . 1 . . . . 117 GLY H . 26564 1 289 . 1 1 123 123 GLY CA C 13 45.853 0.066 . 1 . . . . 117 GLY CA . 26564 1 290 . 1 1 123 123 GLY N N 15 103.175 0.050 . 1 . . . . 117 GLY N . 26564 1 291 . 1 1 124 124 ASN H H 1 7.560 0.006 . 1 . . . . 118 ASN H . 26564 1 292 . 1 1 124 124 ASN CA C 13 52.277 0.000 . 1 . . . . 118 ASN CA . 26564 1 293 . 1 1 124 124 ASN N N 15 119.757 0.063 . 1 . . . . 118 ASN N . 26564 1 294 . 1 1 125 125 PHE CA C 13 62.757 0.012 . 1 . . . . 119 PHE CA . 26564 1 295 . 1 1 126 126 GLU H H 1 8.153 0.001 . 1 . . . . 120 GLU H . 26564 1 296 . 1 1 126 126 GLU CA C 13 59.114 0.014 . 1 . . . . 120 GLU CA . 26564 1 297 . 1 1 126 126 GLU N N 15 116.282 0.015 . 1 . . . . 120 GLU N . 26564 1 298 . 1 1 127 127 ASN H H 1 8.031 0.005 . 1 . . . . 121 ASN H . 26564 1 299 . 1 1 127 127 ASN CA C 13 54.575 0.019 . 1 . . . . 121 ASN CA . 26564 1 300 . 1 1 127 127 ASN N N 15 119.168 0.038 . 1 . . . . 121 ASN N . 26564 1 301 . 1 1 128 128 GLY H H 1 8.284 0.001 . 1 . . . . 122 GLY H . 26564 1 302 . 1 1 128 128 GLY CA C 13 47.212 0.000 . 1 . . . . 122 GLY CA . 26564 1 303 . 1 1 128 128 GLY N N 15 111.571 0.054 . 1 . . . . 122 GLY N . 26564 1 304 . 1 1 129 129 ILE H H 1 7.788 0.004 . 1 . . . . 123 ILE H . 26564 1 305 . 1 1 129 129 ILE CA C 13 65.542 0.020 . 1 . . . . 123 ILE CA . 26564 1 306 . 1 1 129 129 ILE N N 15 122.176 0.045 . 1 . . . . 123 ILE N . 26564 1 307 . 1 1 130 130 GLU H H 1 7.404 0.002 . 1 . . . . 124 GLU H . 26564 1 308 . 1 1 130 130 GLU CA C 13 58.515 0.014 . 1 . . . . 124 GLU CA . 26564 1 309 . 1 1 130 130 GLU N N 15 117.848 0.035 . 1 . . . . 124 GLU N . 26564 1 310 . 1 1 131 131 LEU H H 1 8.007 0.000 . 1 . . . . 125 LEU H . 26564 1 311 . 1 1 131 131 LEU CA C 13 57.174 0.000 . 1 . . . . 125 LEU CA . 26564 1 312 . 1 1 131 131 LEU N N 15 121.494 0.048 . 1 . . . . 125 LEU N . 26564 1 313 . 1 1 132 132 ALA H H 1 7.979 0.000 . 1 . . . . 126 ALA H . 26564 1 314 . 1 1 132 132 ALA CA C 13 55.217 0.003 . 1 . . . . 126 ALA CA . 26564 1 315 . 1 1 132 132 ALA N N 15 121.821 0.000 . 1 . . . . 126 ALA N . 26564 1 316 . 1 1 133 133 ARG H H 1 7.921 0.001 . 1 . . . . 127 ARG H . 26564 1 317 . 1 1 133 133 ARG CA C 13 59.703 0.013 . 1 . . . . 127 ARG CA . 26564 1 318 . 1 1 133 133 ARG N N 15 116.373 0.049 . 1 . . . . 127 ARG N . 26564 1 319 . 1 1 134 134 LYS H H 1 8.037 0.002 . 1 . . . . 128 LYS H . 26564 1 320 . 1 1 134 134 LYS CA C 13 59.105 0.000 . 1 . . . . 128 LYS CA . 26564 1 321 . 1 1 134 134 LYS N N 15 121.656 0.051 . 1 . . . . 128 LYS N . 26564 1 322 . 1 1 135 135 ILE H H 1 8.653 0.000 . 1 . . . . 129 ILE H . 26564 1 323 . 1 1 135 135 ILE CA C 13 65.316 0.000 . 1 . . . . 129 ILE CA . 26564 1 324 . 1 1 135 135 ILE N N 15 121.614 0.000 . 1 . . . . 129 ILE N . 26564 1 325 . 1 1 136 136 LYS H H 1 7.791 0.006 . 1 . . . . 130 LYS H . 26564 1 326 . 1 1 136 136 LYS CA C 13 59.966 0.016 . 1 . . . . 130 LYS CA . 26564 1 327 . 1 1 136 136 LYS N N 15 118.193 0.049 . 1 . . . . 130 LYS N . 26564 1 328 . 1 1 137 137 GLN H H 1 7.871 0.005 . 1 . . . . 131 GLN H . 26564 1 329 . 1 1 137 137 GLN CA C 13 58.275 0.009 . 1 . . . . 131 GLN CA . 26564 1 330 . 1 1 137 137 GLN N N 15 119.063 0.051 . 1 . . . . 131 GLN N . 26564 1 331 . 1 1 138 138 GLU H H 1 8.590 0.000 . 1 . . . . 132 GLU H . 26564 1 332 . 1 1 138 138 GLU CA C 13 59.235 0.000 . 1 . . . . 132 GLU CA . 26564 1 333 . 1 1 138 138 GLU N N 15 121.836 0.026 . 1 . . . . 132 GLU N . 26564 1 334 . 1 1 139 139 ILE H H 1 8.161 0.002 . 1 . . . . 133 ILE H . 26564 1 335 . 1 1 139 139 ILE CA C 13 65.664 0.026 . 1 . . . . 133 ILE CA . 26564 1 336 . 1 1 139 139 ILE N N 15 117.927 0.158 . 1 . . . . 133 ILE N . 26564 1 337 . 1 1 140 140 LEU H H 1 7.476 0.004 . 1 . . . . 134 LEU H . 26564 1 338 . 1 1 140 140 LEU CA C 13 57.800 0.067 . 1 . . . . 134 LEU CA . 26564 1 339 . 1 1 140 140 LEU N N 15 120.911 0.087 . 1 . . . . 134 LEU N . 26564 1 340 . 1 1 141 141 GLU H H 1 8.652 0.001 . 1 . . . . 135 GLU H . 26564 1 341 . 1 1 141 141 GLU CA C 13 59.038 0.032 . 1 . . . . 135 GLU CA . 26564 1 342 . 1 1 141 141 GLU N N 15 119.252 0.021 . 1 . . . . 135 GLU N . 26564 1 343 . 1 1 142 142 LYS H H 1 8.613 0.004 . 1 . . . . 136 LYS H . 26564 1 344 . 1 1 142 142 LYS CA C 13 58.232 0.007 . 1 . . . . 136 LYS CA . 26564 1 345 . 1 1 142 142 LYS N N 15 115.313 0.014 . 1 . . . . 136 LYS N . 26564 1 346 . 1 1 143 143 GLU H H 1 8.046 0.008 . 1 . . . . 137 GLU H . 26564 1 347 . 1 1 143 143 GLU CA C 13 54.392 0.019 . 1 . . . . 137 GLU CA . 26564 1 348 . 1 1 143 143 GLU N N 15 114.273 0.030 . 1 . . . . 137 GLU N . 26564 1 349 . 1 1 144 144 LYS H H 1 7.590 0.004 . 1 . . . . 138 LYS H . 26564 1 350 . 1 1 144 144 LYS N N 15 111.877 0.052 . 1 . . . . 138 LYS N . 26564 1 351 . 1 1 145 145 ILE H H 1 6.576 0.001 . 1 . . . . 139 ILE H . 26564 1 352 . 1 1 145 145 ILE CA C 13 56.766 0.058 . 1 . . . . 139 ILE CA . 26564 1 353 . 1 1 145 145 ILE N N 15 114.661 0.024 . 1 . . . . 139 ILE N . 26564 1 354 . 1 1 146 146 THR H H 1 10.164 0.021 . 1 . . . . 140 THR H . 26564 1 355 . 1 1 146 146 THR CA C 13 61.317 0.010 . 1 . . . . 140 THR CA . 26564 1 356 . 1 1 146 146 THR N N 15 118.699 0.046 . 1 . . . . 140 THR N . 26564 1 357 . 1 1 147 147 VAL H H 1 7.349 0.005 . 1 . . . . 141 VAL H . 26564 1 358 . 1 1 147 147 VAL CA C 13 57.803 0.011 . 1 . . . . 141 VAL CA . 26564 1 359 . 1 1 147 147 VAL N N 15 112.949 0.122 . 1 . . . . 141 VAL N . 26564 1 360 . 1 1 148 148 THR H H 1 9.031 0.002 . 1 . . . . 142 THR H . 26564 1 361 . 1 1 148 148 THR CA C 13 62.182 0.027 . 1 . . . . 142 THR CA . 26564 1 362 . 1 1 148 148 THR N N 15 119.056 0.025 . 1 . . . . 142 THR N . 26564 1 363 . 1 1 149 149 VAL H H 1 7.856 0.009 . 1 . . . . 143 VAL H . 26564 1 364 . 1 1 149 149 VAL CA C 13 57.677 0.000 . 1 . . . . 143 VAL CA . 26564 1 365 . 1 1 149 149 VAL N N 15 121.299 0.098 . 1 . . . . 143 VAL N . 26564 1 366 . 1 1 150 150 GLY H H 1 9.299 0.000 . 1 . . . . 144 GLY H . 26564 1 367 . 1 1 150 150 GLY CA C 13 43.464 0.000 . 1 . . . . 144 GLY CA . 26564 1 368 . 1 1 150 150 GLY N N 15 111.880 0.000 . 1 . . . . 144 GLY N . 26564 1 369 . 1 1 151 151 VAL H H 1 8.797 0.005 . 1 . . . . 145 VAL H . 26564 1 370 . 1 1 151 151 VAL CA C 13 60.142 0.009 . 1 . . . . 145 VAL CA . 26564 1 371 . 1 1 151 151 VAL N N 15 124.906 0.057 . 1 . . . . 145 VAL N . 26564 1 372 . 1 1 152 152 ALA H H 1 9.231 0.000 . 1 . . . . 146 ALA H . 26564 1 373 . 1 1 152 152 ALA CA C 13 50.728 0.000 . 1 . . . . 146 ALA CA . 26564 1 374 . 1 1 152 152 ALA N N 15 126.389 0.054 . 1 . . . . 146 ALA N . 26564 1 375 . 1 1 154 154 ASN CA C 13 54.169 0.025 . 1 . . . . 148 ASN CA . 26564 1 376 . 1 1 155 155 LYS H H 1 8.187 0.001 . 1 . . . . 149 LYS H . 26564 1 377 . 1 1 155 155 LYS CA C 13 60.147 0.164 . 1 . . . . 149 LYS CA . 26564 1 378 . 1 1 155 155 LYS N N 15 119.395 0.056 . 1 . . . . 149 LYS N . 26564 1 379 . 1 1 156 156 ILE H H 1 7.451 0.003 . 1 . . . . 150 ILE H . 26564 1 380 . 1 1 156 156 ILE CA C 13 62.508 0.107 . 1 . . . . 150 ILE CA . 26564 1 381 . 1 1 156 156 ILE N N 15 118.124 0.108 . 1 . . . . 150 ILE N . 26564 1 382 . 1 1 157 157 LEU H H 1 8.064 0.004 . 1 . . . . 151 LEU H . 26564 1 383 . 1 1 157 157 LEU CA C 13 56.782 0.000 . 1 . . . . 151 LEU CA . 26564 1 384 . 1 1 157 157 LEU N N 15 117.568 0.058 . 1 . . . . 151 LEU N . 26564 1 385 . 1 1 158 158 ALA H H 1 7.600 0.001 . 1 . . . . 152 ALA H . 26564 1 386 . 1 1 158 158 ALA CA C 13 55.052 0.065 . 1 . . . . 152 ALA CA . 26564 1 387 . 1 1 158 158 ALA N N 15 120.826 0.018 . 1 . . . . 152 ALA N . 26564 1 388 . 1 1 159 159 LYS H H 1 7.354 0.000 . 1 . . . . 153 LYS H . 26564 1 389 . 1 1 159 159 LYS CA C 13 58.313 0.092 . 1 . . . . 153 LYS CA . 26564 1 390 . 1 1 159 159 LYS N N 15 117.899 0.017 . 1 . . . . 153 LYS N . 26564 1 391 . 1 1 160 160 ILE H H 1 7.989 0.008 . 1 . . . . 154 ILE H . 26564 1 392 . 1 1 160 160 ILE CA C 13 65.154 0.000 . 1 . . . . 154 ILE CA . 26564 1 393 . 1 1 160 160 ILE N N 15 117.835 0.016 . 1 . . . . 154 ILE N . 26564 1 394 . 1 1 161 161 ILE H H 1 8.367 0.000 . 1 . . . . 155 ILE H . 26564 1 395 . 1 1 161 161 ILE CA C 13 59.669 0.024 . 1 . . . . 155 ILE CA . 26564 1 396 . 1 1 161 161 ILE N N 15 117.371 0.000 . 1 . . . . 155 ILE N . 26564 1 397 . 1 1 162 162 ALA H H 1 7.790 0.004 . 1 . . . . 156 ALA H . 26564 1 398 . 1 1 162 162 ALA CA C 13 55.390 0.090 . 1 . . . . 156 ALA CA . 26564 1 399 . 1 1 162 162 ALA N N 15 128.406 0.052 . 1 . . . . 156 ALA N . 26564 1 400 . 1 1 163 163 ASP H H 1 8.544 0.014 . 1 . . . . 157 ASP H . 26564 1 401 . 1 1 163 163 ASP CA C 13 57.828 0.054 . 1 . . . . 157 ASP CA . 26564 1 402 . 1 1 163 163 ASP N N 15 119.922 0.056 . 1 . . . . 157 ASP N . 26564 1 403 . 1 1 164 164 LYS H H 1 7.756 0.008 . 1 . . . . 158 LYS H . 26564 1 404 . 1 1 164 164 LYS CA C 13 57.299 0.083 . 1 . . . . 158 LYS CA . 26564 1 405 . 1 1 164 164 LYS N N 15 115.828 0.031 . 1 . . . . 158 LYS N . 26564 1 406 . 1 1 165 165 SER H H 1 7.844 0.000 . 1 . . . . 159 SER H . 26564 1 407 . 1 1 165 165 SER CA C 13 58.217 0.023 . 1 . . . . 159 SER CA . 26564 1 408 . 1 1 165 165 SER N N 15 114.012 0.071 . 1 . . . . 159 SER N . 26564 1 409 . 1 1 166 166 LYS H H 1 7.082 0.002 . 1 . . . . 160 LYS H . 26564 1 410 . 1 1 166 166 LYS N N 15 120.979 0.066 . 1 . . . . 160 LYS N . 26564 1 411 . 1 1 167 167 PRO CA C 13 61.847 0.024 . 1 . . . . 161 PRO CA . 26564 1 412 . 1 1 168 168 ASN H H 1 9.940 0.020 . 1 . . . . 162 ASN H . 26564 1 413 . 1 1 168 168 ASN CA C 13 52.270 0.035 . 1 . . . . 162 ASN CA . 26564 1 414 . 1 1 168 168 ASN N N 15 119.653 0.026 . 1 . . . . 162 ASN N . 26564 1 415 . 1 1 169 169 GLY H H 1 8.227 0.011 . 1 . . . . 163 GLY H . 26564 1 416 . 1 1 169 169 GLY CA C 13 44.599 0.020 . 1 . . . . 163 GLY CA . 26564 1 417 . 1 1 169 169 GLY N N 15 106.059 0.035 . 1 . . . . 163 GLY N . 26564 1 418 . 1 1 170 170 LEU H H 1 8.535 0.001 . 1 . . . . 164 LEU H . 26564 1 419 . 1 1 170 170 LEU CA C 13 55.232 0.026 . 1 . . . . 164 LEU CA . 26564 1 420 . 1 1 170 170 LEU N N 15 123.921 0.093 . 1 . . . . 164 LEU N . 26564 1 421 . 1 1 171 171 GLY H H 1 9.318 0.001 . 1 . . . . 165 GLY H . 26564 1 422 . 1 1 171 171 GLY CA C 13 45.327 0.013 . 1 . . . . 165 GLY CA . 26564 1 423 . 1 1 172 172 VAL H H 1 8.498 0.003 . 1 . . . . 166 VAL H . 26564 1 424 . 1 1 172 172 VAL CA C 13 60.120 0.004 . 1 . . . . 166 VAL CA . 26564 1 425 . 1 1 172 172 VAL N N 15 122.594 0.055 . 1 . . . . 166 VAL N . 26564 1 426 . 1 1 173 173 ILE H H 1 8.639 0.001 . 1 . . . . 167 ILE H . 26564 1 427 . 1 1 173 173 ILE CA C 13 59.772 0.010 . 1 . . . . 167 ILE CA . 26564 1 428 . 1 1 173 173 ILE N N 15 127.087 0.060 . 1 . . . . 167 ILE N . 26564 1 429 . 1 1 174 174 ARG H H 1 8.457 0.003 . 1 . . . . 168 ARG H . 26564 1 430 . 1 1 174 174 ARG CA C 13 54.083 0.000 . 1 . . . . 168 ARG CA . 26564 1 431 . 1 1 174 174 ARG N N 15 123.440 0.063 . 1 . . . . 168 ARG N . 26564 1 432 . 1 1 176 176 THR CA C 13 62.564 0.039 . 1 . . . . 170 THR CA . 26564 1 433 . 1 1 177 177 GLU H H 1 7.843 0.004 . 1 . . . . 171 GLU H . 26564 1 434 . 1 1 177 177 GLU CA C 13 55.514 0.021 . 1 . . . . 171 GLU CA . 26564 1 435 . 1 1 177 177 GLU N N 15 120.206 0.076 . 1 . . . . 171 GLU N . 26564 1 436 . 1 1 178 178 VAL H H 1 6.944 0.002 . 1 . . . . 172 VAL H . 26564 1 437 . 1 1 178 178 VAL CA C 13 66.926 0.055 . 1 . . . . 172 VAL CA . 26564 1 438 . 1 1 178 178 VAL N N 15 119.472 0.086 . 1 . . . . 172 VAL N . 26564 1 439 . 1 1 179 179 GLN H H 1 8.591 0.001 . 1 . . . . 173 GLN H . 26564 1 440 . 1 1 179 179 GLN CA C 13 59.127 0.021 . 1 . . . . 173 GLN CA . 26564 1 441 . 1 1 179 179 GLN N N 15 118.913 0.071 . 1 . . . . 173 GLN N . 26564 1 442 . 1 1 180 180 ASP H H 1 8.283 0.003 . 1 . . . . 174 ASP H . 26564 1 443 . 1 1 180 180 ASP CA C 13 57.004 0.013 . 1 . . . . 174 ASP CA . 26564 1 444 . 1 1 180 180 ASP N N 15 118.511 0.084 . 1 . . . . 174 ASP N . 26564 1 445 . 1 1 181 181 PHE H H 1 7.980 0.004 . 1 . . . . 175 PHE H . 26564 1 446 . 1 1 181 181 PHE CA C 13 61.211 0.007 . 1 . . . . 175 PHE CA . 26564 1 447 . 1 1 181 181 PHE N N 15 120.622 0.009 . 1 . . . . 175 PHE N . 26564 1 448 . 1 1 182 182 LEU H H 1 8.810 0.000 . 1 . . . . 176 LEU H . 26564 1 449 . 1 1 182 182 LEU CA C 13 57.312 0.050 . 1 . . . . 176 LEU CA . 26564 1 450 . 1 1 182 182 LEU N N 15 118.725 0.002 . 1 . . . . 176 LEU N . 26564 1 451 . 1 1 183 183 ASN H H 1 7.942 0.001 . 1 . . . . 177 ASN H . 26564 1 452 . 1 1 183 183 ASN CA C 13 54.856 0.025 . 1 . . . . 177 ASN CA . 26564 1 453 . 1 1 183 183 ASN N N 15 114.807 0.036 . 1 . . . . 177 ASN N . 26564 1 454 . 1 1 184 184 GLU H H 1 7.055 0.004 . 1 . . . . 178 GLU H . 26564 1 455 . 1 1 184 184 GLU CA C 13 54.820 0.022 . 1 . . . . 178 GLU CA . 26564 1 456 . 1 1 184 184 GLU N N 15 114.695 0.059 . 1 . . . . 178 GLU N . 26564 1 457 . 1 1 185 185 LEU H H 1 7.064 0.002 . 1 . . . . 179 LEU H . 26564 1 458 . 1 1 185 185 LEU CA C 13 55.302 0.029 . 1 . . . . 179 LEU CA . 26564 1 459 . 1 1 185 185 LEU N N 15 122.533 0.008 . 1 . . . . 179 LEU N . 26564 1 460 . 1 1 186 186 ASP H H 1 9.122 0.006 . 1 . . . . 180 ASP H . 26564 1 461 . 1 1 186 186 ASP CA C 13 54.175 0.004 . 1 . . . . 180 ASP CA . 26564 1 462 . 1 1 186 186 ASP N N 15 126.676 0.043 . 1 . . . . 180 ASP N . 26564 1 463 . 1 1 187 187 ILE H H 1 8.227 0.001 . 1 . . . . 181 ILE H . 26564 1 464 . 1 1 187 187 ILE CA C 13 61.417 0.014 . 1 . . . . 181 ILE CA . 26564 1 465 . 1 1 187 187 ILE N N 15 120.802 0.052 . 1 . . . . 181 ILE N . 26564 1 466 . 1 1 188 188 ASP H H 1 8.288 0.005 . 1 . . . . 182 ASP H . 26564 1 467 . 1 1 188 188 ASP CA C 13 54.465 0.045 . 1 . . . . 182 ASP CA . 26564 1 468 . 1 1 188 188 ASP N N 15 114.248 0.054 . 1 . . . . 182 ASP N . 26564 1 469 . 1 1 189 189 GLU H H 1 7.564 0.009 . 1 . . . . 183 GLU H . 26564 1 470 . 1 1 189 189 GLU CA C 13 55.645 0.027 . 1 . . . . 183 GLU CA . 26564 1 471 . 1 1 189 189 GLU N N 15 117.224 0.047 . 1 . . . . 183 GLU N . 26564 1 472 . 1 1 190 190 ILE H H 1 7.293 0.005 . 1 . . . . 184 ILE H . 26564 1 473 . 1 1 190 190 ILE CA C 13 57.863 0.000 . 1 . . . . 184 ILE CA . 26564 1 474 . 1 1 190 190 ILE N N 15 120.380 0.086 . 1 . . . . 184 ILE N . 26564 1 475 . 1 1 192 192 GLY CA C 13 44.860 0.071 . 1 . . . . 186 GLY CA . 26564 1 476 . 1 1 193 193 ILE H H 1 7.504 0.003 . 1 . . . . 187 ILE H . 26564 1 477 . 1 1 193 193 ILE CA C 13 59.419 0.002 . 1 . . . . 187 ILE CA . 26564 1 478 . 1 1 193 193 ILE N N 15 120.386 0.079 . 1 . . . . 187 ILE N . 26564 1 479 . 1 1 194 194 GLY H H 1 8.377 0.002 . 1 . . . . 188 GLY H . 26564 1 480 . 1 1 194 194 GLY CA C 13 44.395 0.000 . 1 . . . . 188 GLY CA . 26564 1 481 . 1 1 194 194 GLY N N 15 110.746 0.101 . 1 . . . . 188 GLY N . 26564 1 482 . 1 1 196 196 VAL CA C 13 66.047 0.025 . 1 . . . . 190 VAL CA . 26564 1 483 . 1 1 197 197 LEU H H 1 8.210 0.001 . 1 . . . . 191 LEU H . 26564 1 484 . 1 1 197 197 LEU CA C 13 56.887 0.033 . 1 . . . . 191 LEU CA . 26564 1 485 . 1 1 197 197 LEU N N 15 121.260 0.028 . 1 . . . . 191 LEU N . 26564 1 486 . 1 1 198 198 ALA H H 1 8.513 0.003 . 1 . . . . 192 ALA H . 26564 1 487 . 1 1 198 198 ALA CA C 13 55.429 0.008 . 1 . . . . 192 ALA CA . 26564 1 488 . 1 1 198 198 ALA N N 15 120.120 0.025 . 1 . . . . 192 ALA N . 26564 1 489 . 1 1 199 199 ARG H H 1 7.836 0.003 . 1 . . . . 193 ARG H . 26564 1 490 . 1 1 199 199 ARG CA C 13 58.755 0.011 . 1 . . . . 193 ARG CA . 26564 1 491 . 1 1 199 199 ARG N N 15 117.143 0.052 . 1 . . . . 193 ARG N . 26564 1 492 . 1 1 200 200 ARG H H 1 7.746 0.003 . 1 . . . . 194 ARG H . 26564 1 493 . 1 1 200 200 ARG CA C 13 58.427 0.035 . 1 . . . . 194 ARG CA . 26564 1 494 . 1 1 200 200 ARG N N 15 119.561 0.044 . 1 . . . . 194 ARG N . 26564 1 495 . 1 1 201 201 LEU H H 1 8.434 0.005 . 1 . . . . 195 LEU H . 26564 1 496 . 1 1 201 201 LEU CA C 13 57.716 0.036 . 1 . . . . 195 LEU CA . 26564 1 497 . 1 1 201 201 LEU N N 15 119.062 0.012 . 1 . . . . 195 LEU N . 26564 1 498 . 1 1 202 202 ASN H H 1 8.736 0.004 . 1 . . . . 196 ASN H . 26564 1 499 . 1 1 202 202 ASN CA C 13 56.163 0.002 . 1 . . . . 196 ASN CA . 26564 1 500 . 1 1 202 202 ASN N N 15 120.502 0.083 . 1 . . . . 196 ASN N . 26564 1 501 . 1 1 203 203 GLU H H 1 8.039 0.002 . 1 . . . . 197 GLU H . 26564 1 502 . 1 1 203 203 GLU CA C 13 58.688 0.000 . 1 . . . . 197 GLU CA . 26564 1 503 . 1 1 203 203 GLU N N 15 121.012 0.061 . 1 . . . . 197 GLU N . 26564 1 504 . 1 1 204 204 LEU H H 1 7.362 0.003 . 1 . . . . 198 LEU H . 26564 1 505 . 1 1 204 204 LEU CA C 13 54.168 0.020 . 1 . . . . 198 LEU CA . 26564 1 506 . 1 1 204 204 LEU N N 15 118.910 0.023 . 1 . . . . 198 LEU N . 26564 1 507 . 1 1 205 205 GLY H H 1 7.896 0.003 . 1 . . . . 199 GLY H . 26564 1 508 . 1 1 205 205 GLY CA C 13 44.747 0.020 . 1 . . . . 199 GLY CA . 26564 1 509 . 1 1 205 205 GLY N N 15 106.473 0.108 . 1 . . . . 199 GLY N . 26564 1 510 . 1 1 206 206 ILE H H 1 7.914 0.001 . 1 . . . . 200 ILE H . 26564 1 511 . 1 1 206 206 ILE CA C 13 60.114 0.041 . 1 . . . . 200 ILE CA . 26564 1 512 . 1 1 206 206 ILE N N 15 122.034 0.058 . 1 . . . . 200 ILE N . 26564 1 513 . 1 1 207 207 GLN H H 1 9.011 0.004 . 1 . . . . 201 GLN H . 26564 1 514 . 1 1 207 207 GLN CA C 13 56.312 0.056 . 1 . . . . 201 GLN CA . 26564 1 515 . 1 1 207 207 GLN N N 15 126.441 0.024 . 1 . . . . 201 GLN N . 26564 1 516 . 1 1 208 208 LYS H H 1 8.577 0.005 . 1 . . . . 202 LYS H . 26564 1 517 . 1 1 208 208 LYS CA C 13 53.182 0.085 . 1 . . . . 202 LYS CA . 26564 1 518 . 1 1 208 208 LYS N N 15 120.559 0.026 . 1 . . . . 202 LYS N . 26564 1 519 . 1 1 209 209 LEU H H 1 8.540 0.002 . 1 . . . . 203 LEU H . 26564 1 520 . 1 1 209 209 LEU N N 15 123.236 0.047 . 1 . . . . 203 LEU N . 26564 1 521 . 1 1 210 210 ARG H H 1 8.471 0.002 . 1 . . . . 204 ARG H . 26564 1 522 . 1 1 210 210 ARG CA C 13 58.207 0.022 . 1 . . . . 204 ARG CA . 26564 1 523 . 1 1 210 210 ARG N N 15 112.882 0.015 . 1 . . . . 204 ARG N . 26564 1 524 . 1 1 211 211 ASP H H 1 7.959 0.003 . 1 . . . . 205 ASP H . 26564 1 525 . 1 1 211 211 ASP CA C 13 56.454 0.047 . 1 . . . . 205 ASP CA . 26564 1 526 . 1 1 211 211 ASP N N 15 120.711 0.004 . 1 . . . . 205 ASP N . 26564 1 527 . 1 1 212 212 ILE H H 1 7.939 0.002 . 1 . . . . 206 ILE H . 26564 1 528 . 1 1 212 212 ILE CA C 13 62.510 0.012 . 1 . . . . 206 ILE CA . 26564 1 529 . 1 1 212 212 ILE N N 15 117.228 0.028 . 1 . . . . 206 ILE N . 26564 1 530 . 1 1 213 213 LEU H H 1 7.188 0.001 . 1 . . . . 207 LEU H . 26564 1 531 . 1 1 213 213 LEU CA C 13 55.822 0.000 . 1 . . . . 207 LEU CA . 26564 1 532 . 1 1 213 213 LEU N N 15 115.841 0.022 . 1 . . . . 207 LEU N . 26564 1 533 . 1 1 217 217 TYR CA C 13 61.922 0.018 . 1 . . . . 211 TYR CA . 26564 1 534 . 1 1 218 218 ASN H H 1 8.328 0.004 . 1 . . . . 212 ASN H . 26564 1 535 . 1 1 218 218 ASN CA C 13 56.213 0.003 . 1 . . . . 212 ASN CA . 26564 1 536 . 1 1 218 218 ASN N N 15 115.741 0.029 . 1 . . . . 212 ASN N . 26564 1 537 . 1 1 219 219 GLU H H 1 7.684 0.004 . 1 . . . . 213 GLU H . 26564 1 538 . 1 1 219 219 GLU CA C 13 58.204 0.033 . 1 . . . . 213 GLU CA . 26564 1 539 . 1 1 219 219 GLU N N 15 118.804 0.041 . 1 . . . . 213 GLU N . 26564 1 540 . 1 1 220 220 LEU H H 1 7.555 0.002 . 1 . . . . 214 LEU H . 26564 1 541 . 1 1 220 220 LEU CA C 13 57.509 0.021 . 1 . . . . 214 LEU CA . 26564 1 542 . 1 1 220 220 LEU N N 15 119.743 0.056 . 1 . . . . 214 LEU N . 26564 1 543 . 1 1 221 221 GLU H H 1 8.372 0.002 . 1 . . . . 215 GLU H . 26564 1 544 . 1 1 221 221 GLU CA C 13 58.652 0.084 . 1 . . . . 215 GLU CA . 26564 1 545 . 1 1 221 221 GLU N N 15 117.665 0.040 . 1 . . . . 215 GLU N . 26564 1 546 . 1 1 222 222 LYS H H 1 7.309 0.008 . 1 . . . . 216 LYS H . 26564 1 547 . 1 1 222 222 LYS CA C 13 58.488 0.044 . 1 . . . . 216 LYS CA . 26564 1 548 . 1 1 222 222 LYS N N 15 117.657 0.078 . 1 . . . . 216 LYS N . 26564 1 549 . 1 1 223 223 ILE H H 1 7.443 0.001 . 1 . . . . 217 ILE H . 26564 1 550 . 1 1 223 223 ILE CA C 13 62.254 0.004 . 1 . . . . 217 ILE CA . 26564 1 551 . 1 1 223 223 ILE N N 15 116.721 0.021 . 1 . . . . 217 ILE N . 26564 1 552 . 1 1 224 224 THR H H 1 8.430 0.005 . 1 . . . . 218 THR H . 26564 1 553 . 1 1 224 224 THR N N 15 106.504 0.077 . 1 . . . . 218 THR N . 26564 1 554 . 1 1 225 225 GLY H H 1 8.202 0.006 . 1 . . . . 219 GLY H . 26564 1 555 . 1 1 225 225 GLY CA C 13 44.506 0.000 . 1 . . . . 219 GLY CA . 26564 1 556 . 1 1 225 225 GLY N N 15 112.918 0.027 . 1 . . . . 219 GLY N . 26564 1 557 . 1 1 228 228 LYS CA C 13 58.361 0.025 . 1 . . . . 222 LYS CA . 26564 1 558 . 1 1 228 228 LYS N N 15 117.431 0.096 . 1 . . . . 222 LYS N . 26564 1 559 . 1 1 229 229 ALA H H 1 7.635 0.005 . 1 . . . . 223 ALA H . 26564 1 560 . 1 1 229 229 ALA CA C 13 55.691 0.006 . 1 . . . . 223 ALA CA . 26564 1 561 . 1 1 229 229 ALA N N 15 122.209 0.034 . 1 . . . . 223 ALA N . 26564 1 562 . 1 1 230 230 LEU H H 1 7.885 0.003 . 1 . . . . 224 LEU H . 26564 1 563 . 1 1 230 230 LEU CA C 13 57.404 0.044 . 1 . . . . 224 LEU CA . 26564 1 564 . 1 1 230 230 LEU N N 15 117.316 0.050 . 1 . . . . 224 LEU N . 26564 1 565 . 1 1 231 231 TYR H H 1 7.589 0.002 . 1 . . . . 225 TYR H . 26564 1 566 . 1 1 231 231 TYR CA C 13 59.313 0.011 . 1 . . . . 225 TYR CA . 26564 1 567 . 1 1 231 231 TYR N N 15 119.830 0.040 . 1 . . . . 225 TYR N . 26564 1 568 . 1 1 232 232 LEU H H 1 8.094 0.002 . 1 . . . . 226 LEU H . 26564 1 569 . 1 1 232 232 LEU CA C 13 57.434 0.000 . 1 . . . . 226 LEU CA . 26564 1 570 . 1 1 232 232 LEU N N 15 117.933 0.073 . 1 . . . . 226 LEU N . 26564 1 571 . 1 1 233 233 LEU CA C 13 57.992 0.060 . 1 . . . . 227 LEU CA . 26564 1 572 . 1 1 234 234 LYS H H 1 8.359 0.002 . 1 . . . . 228 LYS H . 26564 1 573 . 1 1 234 234 LYS CA C 13 58.061 1.295 . 1 . . . . 228 LYS CA . 26564 1 574 . 1 1 234 234 LYS N N 15 117.342 0.038 . 1 . . . . 228 LYS N . 26564 1 575 . 1 1 235 235 LEU H H 1 8.176 0.001 . 1 . . . . 229 LEU H . 26564 1 576 . 1 1 235 235 LEU CA C 13 57.661 0.000 . 1 . . . . 229 LEU CA . 26564 1 577 . 1 1 235 235 LEU N N 15 120.626 0.024 . 1 . . . . 229 LEU N . 26564 1 578 . 1 1 236 236 ALA H H 1 8.398 0.000 . 1 . . . . 230 ALA H . 26564 1 579 . 1 1 236 236 ALA CA C 13 54.471 0.048 . 1 . . . . 230 ALA CA . 26564 1 580 . 1 1 236 236 ALA N N 15 118.994 0.003 . 1 . . . . 230 ALA N . 26564 1 581 . 1 1 237 237 GLN H H 1 7.711 0.008 . 1 . . . . 231 GLN H . 26564 1 582 . 1 1 237 237 GLN CA C 13 55.035 0.033 . 1 . . . . 231 GLN CA . 26564 1 583 . 1 1 237 237 GLN N N 15 112.663 0.077 . 1 . . . . 231 GLN N . 26564 1 584 . 1 1 238 238 ASN H H 1 8.221 0.002 . 1 . . . . 232 ASN H . 26564 1 585 . 1 1 238 238 ASN CA C 13 53.498 0.000 . 1 . . . . 232 ASN CA . 26564 1 586 . 1 1 238 238 ASN N N 15 117.782 0.033 . 1 . . . . 232 ASN N . 26564 1 587 . 1 1 255 255 TYR CA C 13 57.054 0.010 . 1 . . . . 249 TYR CA . 26564 1 588 . 1 1 256 256 LEU H H 1 8.152 0.001 . 1 . . . . 250 LEU H . 26564 1 589 . 1 1 256 256 LEU CA C 13 54.109 0.074 . 1 . . . . 250 LEU CA . 26564 1 590 . 1 1 256 256 LEU N N 15 122.191 0.031 . 1 . . . . 250 LEU N . 26564 1 591 . 1 1 257 257 THR H H 1 8.764 0.004 . 1 . . . . 251 THR H . 26564 1 592 . 1 1 257 257 THR CA C 13 62.986 0.017 . 1 . . . . 251 THR CA . 26564 1 593 . 1 1 257 257 THR N N 15 120.666 0.044 . 1 . . . . 251 THR N . 26564 1 594 . 1 1 258 258 LEU H H 1 8.034 0.004 . 1 . . . . 252 LEU H . 26564 1 595 . 1 1 258 258 LEU CA C 13 52.548 0.000 . 1 . . . . 252 LEU CA . 26564 1 596 . 1 1 258 258 LEU N N 15 127.487 0.047 . 1 . . . . 252 LEU N . 26564 1 597 . 1 1 259 259 PRO CA C 13 64.014 0.017 . 1 . . . . 253 PRO CA . 26564 1 598 . 1 1 260 260 TYR H H 1 6.758 0.005 . 1 . . . . 254 TYR H . 26564 1 599 . 1 1 260 260 TYR CA C 13 54.459 0.009 . 1 . . . . 254 TYR CA . 26564 1 600 . 1 1 260 260 TYR N N 15 111.635 0.030 . 1 . . . . 254 TYR N . 26564 1 601 . 1 1 261 261 ASN H H 1 8.459 0.002 . 1 . . . . 255 ASN H . 26564 1 602 . 1 1 261 261 ASN CA C 13 52.786 0.025 . 1 . . . . 255 ASN CA . 26564 1 603 . 1 1 261 261 ASN N N 15 117.968 0.039 . 1 . . . . 255 ASN N . 26564 1 604 . 1 1 262 262 THR H H 1 8.381 0.001 . 1 . . . . 256 THR H . 26564 1 605 . 1 1 262 262 THR CA C 13 61.022 0.000 . 1 . . . . 256 THR CA . 26564 1 606 . 1 1 262 262 THR N N 15 118.036 0.071 . 1 . . . . 256 THR N . 26564 1 607 . 1 1 263 263 ARG CA C 13 55.192 0.060 . 1 . . . . 257 ARG CA . 26564 1 608 . 1 1 264 264 ASP H H 1 8.726 0.012 . 1 . . . . 258 ASP H . 26564 1 609 . 1 1 264 264 ASP CA C 13 53.426 0.054 . 1 . . . . 258 ASP CA . 26564 1 610 . 1 1 264 264 ASP N N 15 122.458 0.088 . 1 . . . . 258 ASP N . 26564 1 611 . 1 1 265 265 VAL H H 1 8.751 0.007 . 1 . . . . 259 VAL H . 26564 1 612 . 1 1 265 265 VAL CA C 13 66.398 0.042 . 1 . . . . 259 VAL CA . 26564 1 613 . 1 1 265 265 VAL N N 15 128.893 0.046 . 1 . . . . 259 VAL N . 26564 1 614 . 1 1 266 266 LYS H H 1 8.325 0.001 . 1 . . . . 260 LYS H . 26564 1 615 . 1 1 266 266 LYS CA C 13 58.876 0.014 . 1 . . . . 260 LYS CA . 26564 1 616 . 1 1 266 266 LYS N N 15 117.235 0.012 . 1 . . . . 260 LYS N . 26564 1 617 . 1 1 267 267 VAL H H 1 7.262 0.003 . 1 . . . . 261 VAL H . 26564 1 618 . 1 1 267 267 VAL CA C 13 63.777 0.022 . 1 . . . . 261 VAL CA . 26564 1 619 . 1 1 267 267 VAL N N 15 118.149 0.059 . 1 . . . . 261 VAL N . 26564 1 620 . 1 1 268 268 ILE H H 1 7.677 0.004 . 1 . . . . 262 ILE H . 26564 1 621 . 1 1 268 268 ILE CA C 13 64.370 0.028 . 1 . . . . 262 ILE CA . 26564 1 622 . 1 1 268 268 ILE N N 15 117.380 0.040 . 1 . . . . 262 ILE N . 26564 1 623 . 1 1 269 269 LEU H H 1 8.688 0.002 . 1 . . . . 263 LEU H . 26564 1 624 . 1 1 269 269 LEU CA C 13 59.721 0.000 . 1 . . . . 263 LEU CA . 26564 1 625 . 1 1 269 269 LEU N N 15 120.118 0.020 . 1 . . . . 263 LEU N . 26564 1 626 . 1 1 270 270 PRO CA C 13 65.937 0.023 . 1 . . . . 264 PRO CA . 26564 1 627 . 1 1 271 271 TYR H H 1 7.382 0.003 . 1 . . . . 265 TYR H . 26564 1 628 . 1 1 271 271 TYR CA C 13 61.411 0.015 . 1 . . . . 265 TYR CA . 26564 1 629 . 1 1 271 271 TYR N N 15 115.974 0.076 . 1 . . . . 265 TYR N . 26564 1 630 . 1 1 272 272 LEU H H 1 8.054 0.001 . 1 . . . . 266 LEU H . 26564 1 631 . 1 1 272 272 LEU CA C 13 57.405 0.009 . 1 . . . . 266 LEU CA . 26564 1 632 . 1 1 272 272 LEU N N 15 121.867 0.079 . 1 . . . . 266 LEU N . 26564 1 633 . 1 1 273 273 LYS H H 1 8.745 0.001 . 1 . . . . 267 LYS H . 26564 1 634 . 1 1 273 273 LYS CA C 13 60.486 0.004 . 1 . . . . 267 LYS CA . 26564 1 635 . 1 1 273 273 LYS N N 15 117.078 0.058 . 1 . . . . 267 LYS N . 26564 1 636 . 1 1 274 274 LYS H H 1 7.412 0.004 . 1 . . . . 268 LYS H . 26564 1 637 . 1 1 274 274 LYS CA C 13 59.580 0.028 . 1 . . . . 268 LYS CA . 26564 1 638 . 1 1 274 274 LYS N N 15 119.269 0.031 . 1 . . . . 268 LYS N . 26564 1 639 . 1 1 275 275 ALA H H 1 8.254 0.004 . 1 . . . . 269 ALA H . 26564 1 640 . 1 1 275 275 ALA CA C 13 54.949 0.000 . 1 . . . . 269 ALA CA . 26564 1 641 . 1 1 275 275 ALA N N 15 122.138 0.042 . 1 . . . . 269 ALA N . 26564 1 642 . 1 1 276 276 ILE H H 1 8.397 0.000 . 1 . . . . 270 ILE H . 26564 1 643 . 1 1 276 276 ILE CA C 13 65.402 0.036 . 1 . . . . 270 ILE CA . 26564 1 644 . 1 1 276 276 ILE N N 15 119.048 0.000 . 1 . . . . 270 ILE N . 26564 1 645 . 1 1 277 277 ASN H H 1 8.731 0.004 . 1 . . . . 271 ASN H . 26564 1 646 . 1 1 277 277 ASN CA C 13 56.458 0.011 . 1 . . . . 271 ASN CA . 26564 1 647 . 1 1 277 277 ASN N N 15 120.226 0.025 . 1 . . . . 271 ASN N . 26564 1 648 . 1 1 278 278 GLU H H 1 8.361 0.002 . 1 . . . . 272 GLU H . 26564 1 649 . 1 1 278 278 GLU CA C 13 58.943 0.012 . 1 . . . . 272 GLU CA . 26564 1 650 . 1 1 278 278 GLU N N 15 118.693 0.010 . 1 . . . . 272 GLU N . 26564 1 651 . 1 1 279 279 ALA H H 1 8.386 0.007 . 1 . . . . 273 ALA H . 26564 1 652 . 1 1 279 279 ALA CA C 13 54.803 0.021 . 1 . . . . 273 ALA CA . 26564 1 653 . 1 1 279 279 ALA N N 15 121.994 0.083 . 1 . . . . 273 ALA N . 26564 1 654 . 1 1 280 280 TYR H H 1 8.962 0.004 . 1 . . . . 274 TYR H . 26564 1 655 . 1 1 280 280 TYR CA C 13 61.861 0.005 . 1 . . . . 274 TYR CA . 26564 1 656 . 1 1 280 280 TYR N N 15 118.308 0.034 . 1 . . . . 274 TYR N . 26564 1 657 . 1 1 281 281 ASN H H 1 7.745 0.006 . 1 . . . . 275 ASN H . 26564 1 658 . 1 1 281 281 ASN N N 15 116.188 0.067 . 1 . . . . 275 ASN N . 26564 1 659 . 1 1 282 282 LYS H H 1 7.389 0.000 . 1 . . . . 276 LYS H . 26564 1 660 . 1 1 282 282 LYS CA C 13 55.600 0.028 . 1 . . . . 276 LYS CA . 26564 1 661 . 1 1 282 282 LYS N N 15 116.209 0.017 . 1 . . . . 276 LYS N . 26564 1 662 . 1 1 283 283 VAL H H 1 7.291 0.003 . 1 . . . . 277 VAL H . 26564 1 663 . 1 1 283 283 VAL CA C 13 60.586 0.000 . 1 . . . . 277 VAL CA . 26564 1 664 . 1 1 283 283 VAL N N 15 114.621 0.116 . 1 . . . . 277 VAL N . 26564 1 665 . 1 1 284 284 ASN CA C 13 52.131 0.033 . 1 . . . . 278 ASN CA . 26564 1 666 . 1 1 285 285 GLY H H 1 7.290 0.003 . 1 . . . . 279 GLY H . 26564 1 667 . 1 1 285 285 GLY CA C 13 44.478 0.062 . 1 . . . . 279 GLY CA . 26564 1 668 . 1 1 285 285 GLY N N 15 106.529 0.061 . 1 . . . . 279 GLY N . 26564 1 669 . 1 1 286 286 ILE H H 1 8.246 0.008 . 1 . . . . 280 ILE H . 26564 1 670 . 1 1 286 286 ILE CA C 13 56.472 0.000 . 1 . . . . 280 ILE CA . 26564 1 671 . 1 1 286 286 ILE N N 15 117.746 0.064 . 1 . . . . 280 ILE N . 26564 1 672 . 1 1 287 287 PRO CA C 13 62.274 0.000 . 1 . . . . 281 PRO CA . 26564 1 673 . 1 1 288 288 MET H H 1 8.085 0.005 . 1 . . . . 282 MET H . 26564 1 674 . 1 1 288 288 MET CA C 13 56.009 0.015 . 1 . . . . 282 MET CA . 26564 1 675 . 1 1 288 288 MET N N 15 115.080 0.063 . 1 . . . . 282 MET N . 26564 1 676 . 1 1 289 289 ARG H H 1 8.023 0.003 . 1 . . . . 283 ARG H . 26564 1 677 . 1 1 289 289 ARG CA C 13 54.710 0.028 . 1 . . . . 283 ARG CA . 26564 1 678 . 1 1 289 289 ARG N N 15 119.500 0.144 . 1 . . . . 283 ARG N . 26564 1 679 . 1 1 290 290 ILE H H 1 8.187 0.004 . 1 . . . . 284 ILE H . 26564 1 680 . 1 1 290 290 ILE CA C 13 58.697 0.031 . 1 . . . . 284 ILE CA . 26564 1 681 . 1 1 290 290 ILE N N 15 123.214 0.037 . 1 . . . . 284 ILE N . 26564 1 682 . 1 1 291 291 THR H H 1 8.381 0.001 . 1 . . . . 285 THR H . 26564 1 683 . 1 1 291 291 THR CA C 13 61.351 0.009 . 1 . . . . 285 THR CA . 26564 1 684 . 1 1 291 291 THR N N 15 122.090 0.023 . 1 . . . . 285 THR N . 26564 1 685 . 1 1 292 292 VAL H H 1 8.794 0.002 . 1 . . . . 286 VAL H . 26564 1 686 . 1 1 292 292 VAL CA C 13 61.736 0.022 . 1 . . . . 286 VAL CA . 26564 1 687 . 1 1 292 292 VAL N N 15 127.059 0.032 . 1 . . . . 286 VAL N . 26564 1 688 . 1 1 293 293 ILE H H 1 8.566 0.005 . 1 . . . . 287 ILE H . 26564 1 689 . 1 1 293 293 ILE CA C 13 60.119 0.000 . 1 . . . . 287 ILE CA . 26564 1 690 . 1 1 293 293 ILE N N 15 127.026 0.122 . 1 . . . . 287 ILE N . 26564 1 691 . 1 1 294 294 ALA H H 1 9.393 0.004 . 1 . . . . 288 ALA H . 26564 1 692 . 1 1 294 294 ALA CA C 13 49.858 0.087 . 1 . . . . 288 ALA CA . 26564 1 693 . 1 1 294 294 ALA N N 15 129.130 0.035 . 1 . . . . 288 ALA N . 26564 1 694 . 1 1 295 295 ILE H H 1 8.623 0.011 . 1 . . . . 289 ILE H . 26564 1 695 . 1 1 295 295 ILE CA C 13 59.109 0.072 . 1 . . . . 289 ILE CA . 26564 1 696 . 1 1 295 295 ILE N N 15 122.912 0.066 . 1 . . . . 289 ILE N . 26564 1 697 . 1 1 296 296 MET H H 1 9.053 0.014 . 1 . . . . 290 MET H . 26564 1 698 . 1 1 296 296 MET CA C 13 53.477 0.021 . 1 . . . . 290 MET CA . 26564 1 699 . 1 1 296 296 MET N N 15 123.942 0.052 . 1 . . . . 290 MET N . 26564 1 700 . 1 1 297 297 GLU H H 1 8.462 0.007 . 1 . . . . 291 GLU H . 26564 1 701 . 1 1 297 297 GLU CA C 13 58.300 0.000 . 1 . . . . 291 GLU CA . 26564 1 702 . 1 1 297 297 GLU N N 15 116.991 0.063 . 1 . . . . 291 GLU N . 26564 1 703 . 1 1 298 298 ASP H H 1 7.907 0.003 . 1 . . . . 292 ASP H . 26564 1 704 . 1 1 298 298 ASP CA C 13 52.712 0.087 . 1 . . . . 292 ASP CA . 26564 1 705 . 1 1 298 298 ASP N N 15 118.534 0.078 . 1 . . . . 292 ASP N . 26564 1 706 . 1 1 299 299 LEU H H 1 8.287 0.001 . 1 . . . . 293 LEU H . 26564 1 707 . 1 1 299 299 LEU CA C 13 56.422 0.085 . 1 . . . . 293 LEU CA . 26564 1 708 . 1 1 299 299 LEU N N 15 113.258 0.156 . 1 . . . . 293 LEU N . 26564 1 709 . 1 1 300 300 ASP H H 1 7.657 0.002 . 1 . . . . 294 ASP H . 26564 1 710 . 1 1 300 300 ASP CA C 13 53.739 0.022 . 1 . . . . 294 ASP CA . 26564 1 711 . 1 1 300 300 ASP N N 15 119.405 0.063 . 1 . . . . 294 ASP N . 26564 1 712 . 1 1 301 301 ILE H H 1 8.019 0.003 . 1 . . . . 295 ILE H . 26564 1 713 . 1 1 301 301 ILE CA C 13 60.305 0.019 . 1 . . . . 295 ILE CA . 26564 1 714 . 1 1 301 301 ILE N N 15 120.114 0.016 . 1 . . . . 295 ILE N . 26564 1 715 . 1 1 302 302 LEU H H 1 9.178 0.004 . 1 . . . . 296 LEU H . 26564 1 716 . 1 1 302 302 LEU CA C 13 53.256 0.026 . 1 . . . . 296 LEU CA . 26564 1 717 . 1 1 302 302 LEU N N 15 129.370 0.025 . 1 . . . . 296 LEU N . 26564 1 718 . 1 1 303 303 SER H H 1 8.385 0.001 . 1 . . . . 297 SER H . 26564 1 719 . 1 1 303 303 SER CA C 13 56.425 0.027 . 1 . . . . 297 SER CA . 26564 1 720 . 1 1 303 303 SER N N 15 113.915 0.012 . 1 . . . . 297 SER N . 26564 1 721 . 1 1 304 304 LYS H H 1 8.564 0.004 . 1 . . . . 298 LYS H . 26564 1 722 . 1 1 304 304 LYS CA C 13 56.637 0.008 . 1 . . . . 298 LYS CA . 26564 1 723 . 1 1 304 304 LYS N N 15 122.383 0.074 . 1 . . . . 298 LYS N . 26564 1 724 . 1 1 305 305 GLY H H 1 8.620 0.004 . 1 . . . . 299 GLY H . 26564 1 725 . 1 1 305 305 GLY CA C 13 44.999 0.196 . 1 . . . . 299 GLY CA . 26564 1 726 . 1 1 305 305 GLY N N 15 114.117 0.074 . 1 . . . . 299 GLY N . 26564 1 727 . 1 1 306 306 LYS H H 1 8.591 0.002 . 1 . . . . 300 LYS H . 26564 1 728 . 1 1 306 306 LYS CA C 13 55.773 0.003 . 1 . . . . 300 LYS CA . 26564 1 729 . 1 1 306 306 LYS N N 15 118.973 0.067 . 1 . . . . 300 LYS N . 26564 1 730 . 1 1 307 307 LYS H H 1 8.119 0.003 . 1 . . . . 301 LYS H . 26564 1 731 . 1 1 307 307 LYS CA C 13 53.910 0.022 . 1 . . . . 301 LYS CA . 26564 1 732 . 1 1 307 307 LYS N N 15 124.550 0.020 . 1 . . . . 301 LYS N . 26564 1 733 . 1 1 308 308 PHE H H 1 9.192 0.008 . 1 . . . . 302 PHE H . 26564 1 734 . 1 1 308 308 PHE CA C 13 56.499 0.000 . 1 . . . . 302 PHE CA . 26564 1 735 . 1 1 308 308 PHE N N 15 124.855 0.031 . 1 . . . . 302 PHE N . 26564 1 736 . 1 1 310 310 HIS CA C 13 53.717 0.028 . 1 . . . . 304 HIS CA . 26564 1 737 . 1 1 311 311 GLY H H 1 8.338 0.002 . 1 . . . . 305 GLY H . 26564 1 738 . 1 1 311 311 GLY CA C 13 44.814 0.069 . 1 . . . . 305 GLY CA . 26564 1 739 . 1 1 311 311 GLY N N 15 105.027 0.083 . 1 . . . . 305 GLY N . 26564 1 740 . 1 1 312 312 ILE H H 1 8.461 0.002 . 1 . . . . 306 ILE H . 26564 1 741 . 1 1 312 312 ILE CA C 13 59.112 0.028 . 1 . . . . 306 ILE CA . 26564 1 742 . 1 1 312 312 ILE N N 15 122.935 0.049 . 1 . . . . 306 ILE N . 26564 1 743 . 1 1 313 313 SER H H 1 8.823 0.001 . 1 . . . . 307 SER H . 26564 1 744 . 1 1 313 313 SER CA C 13 57.492 0.018 . 1 . . . . 307 SER CA . 26564 1 745 . 1 1 313 313 SER N N 15 126.315 0.035 . 1 . . . . 307 SER N . 26564 1 746 . 1 1 314 314 ILE H H 1 8.739 0.004 . 1 . . . . 308 ILE H . 26564 1 747 . 1 1 314 314 ILE CA C 13 64.355 0.002 . 1 . . . . 308 ILE CA . 26564 1 748 . 1 1 314 314 ILE N N 15 123.208 0.043 . 1 . . . . 308 ILE N . 26564 1 749 . 1 1 315 315 ASP H H 1 7.521 0.001 . 1 . . . . 309 ASP H . 26564 1 750 . 1 1 315 315 ASP CA C 13 56.294 0.041 . 1 . . . . 309 ASP CA . 26564 1 751 . 1 1 315 315 ASP N N 15 116.092 0.038 . 1 . . . . 309 ASP N . 26564 1 752 . 1 1 316 316 ASN H H 1 7.312 0.001 . 1 . . . . 310 ASN H . 26564 1 753 . 1 1 316 316 ASN CA C 13 54.665 0.027 . 1 . . . . 310 ASN CA . 26564 1 754 . 1 1 316 316 ASN N N 15 117.190 0.050 . 1 . . . . 310 ASN N . 26564 1 755 . 1 1 317 317 ALA H H 1 8.621 0.006 . 1 . . . . 311 ALA H . 26564 1 756 . 1 1 317 317 ALA CA C 13 55.239 0.008 . 1 . . . . 311 ALA CA . 26564 1 757 . 1 1 317 317 ALA N N 15 125.369 0.041 . 1 . . . . 311 ALA N . 26564 1 758 . 1 1 318 318 TYR H H 1 7.510 0.005 . 1 . . . . 312 TYR H . 26564 1 759 . 1 1 318 318 TYR CA C 13 58.867 0.021 . 1 . . . . 312 TYR CA . 26564 1 760 . 1 1 318 318 TYR N N 15 113.639 0.060 . 1 . . . . 312 TYR N . 26564 1 761 . 1 1 319 319 LYS H H 1 7.200 0.003 . 1 . . . . 313 LYS H . 26564 1 762 . 1 1 319 319 LYS CA C 13 58.445 0.013 . 1 . . . . 313 LYS CA . 26564 1 763 . 1 1 319 319 LYS N N 15 119.454 0.058 . 1 . . . . 313 LYS N . 26564 1 764 . 1 1 320 320 VAL H H 1 8.344 0.004 . 1 . . . . 314 VAL H . 26564 1 765 . 1 1 320 320 VAL CA C 13 64.905 0.025 . 1 . . . . 314 VAL CA . 26564 1 766 . 1 1 320 320 VAL N N 15 119.665 0.004 . 1 . . . . 314 VAL N . 26564 1 767 . 1 1 321 321 ALA H H 1 8.896 0.005 . 1 . . . . 315 ALA H . 26564 1 768 . 1 1 321 321 ALA CA C 13 54.511 0.033 . 1 . . . . 315 ALA CA . 26564 1 769 . 1 1 321 321 ALA N N 15 119.618 0.018 . 1 . . . . 315 ALA N . 26564 1 770 . 1 1 322 322 GLU H H 1 7.627 0.001 . 1 . . . . 316 GLU H . 26564 1 771 . 1 1 322 322 GLU CA C 13 59.650 0.028 . 1 . . . . 316 GLU CA . 26564 1 772 . 1 1 322 322 GLU N N 15 118.385 0.041 . 1 . . . . 316 GLU N . 26564 1 773 . 1 1 323 323 ASP H H 1 7.946 0.006 . 1 . . . . 317 ASP H . 26564 1 774 . 1 1 323 323 ASP CA C 13 57.501 0.037 . 1 . . . . 317 ASP CA . 26564 1 775 . 1 1 323 323 ASP N N 15 120.033 0.073 . 1 . . . . 317 ASP N . 26564 1 776 . 1 1 324 324 LEU H H 1 8.414 0.003 . 1 . . . . 318 LEU H . 26564 1 777 . 1 1 324 324 LEU CA C 13 57.545 0.056 . 1 . . . . 318 LEU CA . 26564 1 778 . 1 1 324 324 LEU N N 15 120.545 0.017 . 1 . . . . 318 LEU N . 26564 1 779 . 1 1 325 325 LEU H H 1 8.425 0.013 . 1 . . . . 319 LEU H . 26564 1 780 . 1 1 325 325 LEU CA C 13 57.632 0.063 . 1 . . . . 319 LEU CA . 26564 1 781 . 1 1 325 325 LEU N N 15 119.064 0.094 . 1 . . . . 319 LEU N . 26564 1 782 . 1 1 326 326 ARG H H 1 8.482 0.002 . 1 . . . . 320 ARG H . 26564 1 783 . 1 1 326 326 ARG CA C 13 60.203 0.001 . 1 . . . . 320 ARG CA . 26564 1 784 . 1 1 326 326 ARG N N 15 117.107 0.067 . 1 . . . . 320 ARG N . 26564 1 785 . 1 1 327 327 GLU H H 1 8.021 0.002 . 1 . . . . 321 GLU H . 26564 1 786 . 1 1 327 327 GLU CA C 13 59.384 0.003 . 1 . . . . 321 GLU CA . 26564 1 787 . 1 1 327 327 GLU N N 15 118.587 0.038 . 1 . . . . 321 GLU N . 26564 1 788 . 1 1 328 328 LEU H H 1 8.335 0.008 . 1 . . . . 322 LEU H . 26564 1 789 . 1 1 328 328 LEU CA C 13 58.213 0.000 . 1 . . . . 322 LEU CA . 26564 1 790 . 1 1 328 328 LEU N N 15 122.348 0.051 . 1 . . . . 322 LEU N . 26564 1 791 . 1 1 329 329 LEU H H 1 7.645 0.006 . 1 . . . . 323 LEU H . 26564 1 792 . 1 1 329 329 LEU CA C 13 55.579 0.025 . 1 . . . . 323 LEU CA . 26564 1 793 . 1 1 329 329 LEU N N 15 115.884 0.035 . 1 . . . . 323 LEU N . 26564 1 794 . 1 1 330 330 VAL H H 1 7.556 0.012 . 1 . . . . 324 VAL H . 26564 1 795 . 1 1 330 330 VAL CA C 13 64.313 0.012 . 1 . . . . 324 VAL CA . 26564 1 796 . 1 1 330 330 VAL N N 15 118.925 0.059 . 1 . . . . 324 VAL N . 26564 1 797 . 1 1 331 331 ARG H H 1 7.502 0.003 . 1 . . . . 325 ARG H . 26564 1 798 . 1 1 331 331 ARG CA C 13 57.868 0.030 . 1 . . . . 325 ARG CA . 26564 1 799 . 1 1 331 331 ARG N N 15 120.171 0.040 . 1 . . . . 325 ARG N . 26564 1 800 . 1 1 332 332 ASP H H 1 7.910 0.007 . 1 . . . . 326 ASP H . 26564 1 801 . 1 1 332 332 ASP CA C 13 52.787 0.000 . 1 . . . . 326 ASP CA . 26564 1 802 . 1 1 332 332 ASP N N 15 118.701 0.020 . 1 . . . . 326 ASP N . 26564 1 803 . 1 1 333 333 LYS CA C 13 56.570 0.000 . 1 . . . . 327 LYS CA . 26564 1 804 . 1 1 334 334 ARG H H 1 8.358 0.002 . 1 . . . . 328 ARG H . 26564 1 805 . 1 1 334 334 ARG CA C 13 56.853 0.000 . 1 . . . . 328 ARG CA . 26564 1 806 . 1 1 334 334 ARG N N 15 117.412 0.012 . 1 . . . . 328 ARG N . 26564 1 807 . 1 1 335 335 ARG H H 1 8.551 0.001 . 1 . . . . 329 ARG H . 26564 1 808 . 1 1 335 335 ARG CA C 13 56.981 0.015 . 1 . . . . 329 ARG CA . 26564 1 809 . 1 1 335 335 ARG N N 15 119.114 0.062 . 1 . . . . 329 ARG N . 26564 1 810 . 1 1 336 336 ASN H H 1 9.019 0.005 . 1 . . . . 330 ASN H . 26564 1 811 . 1 1 336 336 ASN CA C 13 51.994 0.018 . 1 . . . . 330 ASN CA . 26564 1 812 . 1 1 336 336 ASN N N 15 116.526 0.061 . 1 . . . . 330 ASN N . 26564 1 813 . 1 1 337 337 VAL H H 1 8.487 0.000 . 1 . . . . 331 VAL H . 26564 1 814 . 1 1 337 337 VAL CA C 13 62.867 0.020 . 1 . . . . 331 VAL CA . 26564 1 815 . 1 1 337 337 VAL N N 15 122.770 0.060 . 1 . . . . 331 VAL N . 26564 1 816 . 1 1 338 338 ARG H H 1 9.229 0.008 . 1 . . . . 332 ARG H . 26564 1 817 . 1 1 338 338 ARG CA C 13 56.190 0.026 . 1 . . . . 332 ARG CA . 26564 1 818 . 1 1 338 338 ARG N N 15 124.800 0.067 . 1 . . . . 332 ARG N . 26564 1 819 . 1 1 339 339 ARG H H 1 8.388 0.004 . 1 . . . . 333 ARG H . 26564 1 820 . 1 1 339 339 ARG CA C 13 53.730 0.028 . 1 . . . . 333 ARG CA . 26564 1 821 . 1 1 339 339 ARG N N 15 116.221 0.020 . 1 . . . . 333 ARG N . 26564 1 822 . 1 1 340 340 ILE H H 1 8.966 0.001 . 1 . . . . 334 ILE H . 26564 1 823 . 1 1 340 340 ILE CA C 13 55.679 0.000 . 1 . . . . 334 ILE CA . 26564 1 824 . 1 1 340 340 ILE N N 15 120.087 0.057 . 1 . . . . 334 ILE N . 26564 1 825 . 1 1 341 341 GLY H H 1 9.290 0.000 . 1 . . . . 335 GLY H . 26564 1 826 . 1 1 341 341 GLY CA C 13 44.852 0.056 . 1 . . . . 335 GLY CA . 26564 1 827 . 1 1 341 341 GLY N N 15 113.156 0.000 . 1 . . . . 335 GLY N . 26564 1 828 . 1 1 342 342 VAL H H 1 8.316 0.005 . 1 . . . . 336 VAL H . 26564 1 829 . 1 1 342 342 VAL CA C 13 58.476 0.017 . 1 . . . . 336 VAL CA . 26564 1 830 . 1 1 342 342 VAL N N 15 113.204 0.073 . 1 . . . . 336 VAL N . 26564 1 831 . 1 1 343 343 LYS H H 1 8.732 0.005 . 1 . . . . 337 LYS H . 26564 1 832 . 1 1 343 343 LYS CA C 13 54.555 0.039 . 1 . . . . 337 LYS CA . 26564 1 833 . 1 1 343 343 LYS N N 15 123.029 0.034 . 1 . . . . 337 LYS N . 26564 1 834 . 1 1 344 344 LEU H H 1 9.002 0.003 . 1 . . . . 338 LEU H . 26564 1 835 . 1 1 344 344 LEU CA C 13 52.698 0.025 . 1 . . . . 338 LEU CA . 26564 1 836 . 1 1 344 344 LEU N N 15 128.634 0.074 . 1 . . . . 338 LEU N . 26564 1 837 . 1 1 345 345 ASP H H 1 8.563 0.010 . 1 . . . . 339 ASP H . 26564 1 838 . 1 1 345 345 ASP CA C 13 52.937 0.000 . 1 . . . . 339 ASP CA . 26564 1 839 . 1 1 345 345 ASP N N 15 120.640 0.051 . 1 . . . . 339 ASP N . 26564 1 stop_ save_ save_Dbh_35C_Chemical_Shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Dbh_35C_Chemical_Shifts_2 _Assigned_chem_shift_list.Entry_ID 26564 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $35C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $2_2-dimethyl-2-silapentane-sulfonic_acid _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26564 2 11 '3D HNCA' . . . 26564 2 12 '3D HN(CO)CA' . . . 26564 2 17 '2D 1H-15N HSQC' . . . 26564 2 24 '2D 1H-15N HSQC' . . . 26564 2 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 $NMRPipe . . 26564 2 2 $CCPNMR_Analysis . . 26564 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 103 103 ASP H H 1 8.894 0.008 . 1 . . . . 97 ASP H . 26564 2 2 . 1 1 103 103 ASP CA C 13 56.670 0.000 . 1 . . . . 97 ASP CA . 26564 2 3 . 1 1 103 103 ASP N N 15 121.455 0.084 . 1 . . . . 97 ASP N . 26564 2 4 . 1 1 104 104 LYS H H 1 7.540 0.003 . 1 . . . . 98 LYS H . 26564 2 5 . 1 1 104 104 LYS CA C 13 55.298 0.000 . 1 . . . . 98 LYS CA . 26564 2 6 . 1 1 104 104 LYS N N 15 115.549 0.086 . 1 . . . . 98 LYS N . 26564 2 7 . 1 1 106 106 GLU H H 1 9.253 0.001 . 1 . . . . 100 GLU H . 26564 2 8 . 1 1 106 106 GLU CA C 13 54.419 0.060 . 1 . . . . 100 GLU CA . 26564 2 9 . 1 1 106 106 GLU N N 15 127.702 0.064 . 1 . . . . 100 GLU N . 26564 2 10 . 1 1 107 107 VAL H H 1 8.950 0.002 . 1 . . . . 101 VAL H . 26564 2 11 . 1 1 107 107 VAL CA C 13 63.038 0.062 . 1 . . . . 101 VAL CA . 26564 2 12 . 1 1 107 107 VAL N N 15 128.743 0.070 . 1 . . . . 101 VAL N . 26564 2 13 . 1 1 108 108 ALA H H 1 8.351 0.002 . 1 . . . . 102 ALA H . 26564 2 14 . 1 1 108 108 ALA CA C 13 53.092 0.000 . 1 . . . . 102 ALA CA . 26564 2 15 . 1 1 108 108 ALA N N 15 133.457 0.064 . 1 . . . . 102 ALA N . 26564 2 16 . 1 1 114 114 TYR H H 1 8.996 0.009 . 1 . . . . 108 TYR H . 26564 2 17 . 1 1 114 114 TYR CA C 13 57.008 0.000 . 1 . . . . 108 TYR CA . 26564 2 18 . 1 1 114 114 TYR N N 15 115.902 0.038 . 1 . . . . 108 TYR N . 26564 2 19 . 1 1 115 115 LEU H H 1 10.111 0.000 . 1 . . . . 109 LEU H . 26564 2 20 . 1 1 115 115 LEU CA C 13 53.758 0.001 . 1 . . . . 109 LEU CA . 26564 2 21 . 1 1 115 115 LEU N N 15 122.590 0.000 . 1 . . . . 109 LEU N . 26564 2 22 . 1 1 116 116 ASP H H 1 8.722 0.003 . 1 . . . . 110 ASP H . 26564 2 23 . 1 1 116 116 ASP CA C 13 53.232 0.000 . 1 . . . . 110 ASP CA . 26564 2 24 . 1 1 116 116 ASP N N 15 122.674 0.007 . 1 . . . . 110 ASP N . 26564 2 stop_ save_ save_Dbh_50C_Chemical_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Dbh_50C_Chemical_Shifts _Assigned_chem_shift_list.Entry_ID 26564 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $50C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $2_2-dimethyl-2-silapentane-sulfonic_acid _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 26564 3 3 '2D 1H-15N HSQC' . . . 26564 3 4 '2D 1H-15N HSQC' . . . 26564 3 5 '2D 1H-15N HSQC' . . . 26564 3 6 '3D 1H-15N NOESY' . . . 26564 3 7 '3D HNCO' . . . 26564 3 8 '3D HNCACB' . . . 26564 3 9 '3D HN(CO)CA' . . . 26564 3 10 '3D HN(CA)CO' . . . 26564 3 13 '2D 1H-15N HSQC' . . . 26564 3 14 '2D 1H-15N HSQC' . . . 26564 3 15 '2D 1H-15N HSQC' . . . 26564 3 16 '2D 1H-15N HSQC' . . . 26564 3 18 '2D 1H-15N HSQC' . . . 26564 3 19 '2D 1H-15N HSQC' . . . 26564 3 20 '2D 1H-15N HSQC' . . . 26564 3 21 '2D 1H-15N HSQC' . . . 26564 3 22 '2D 1H-15N HSQC' . . . 26564 3 23 '2D 1H-15N HSQC' . . . 26564 3 25 '3D HNCO' . . . 26564 3 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 $NMRPipe . . 26564 3 2 $CCPNMR_Analysis . . 26564 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 ILE H H 1 8.297 0.019 . 1 . . . . 2 ILE H . 26564 3 2 . 1 1 8 8 ILE C C 13 173.164 0.039 . 1 . . . . 2 ILE C . 26564 3 3 . 1 1 8 8 ILE CA C 13 61.838 0.079 . 1 . . . . 2 ILE CA . 26564 3 4 . 1 1 8 8 ILE CB C 13 38.448 0.000 . 1 . . . . 2 ILE CB . 26564 3 5 . 1 1 8 8 ILE N N 15 120.204 0.040 . 1 . . . . 2 ILE N . 26564 3 6 . 1 1 9 9 VAL H H 1 8.352 0.016 . 1 . . . . 3 VAL H . 26564 3 7 . 1 1 9 9 VAL C C 13 176.619 0.000 . 1 . . . . 3 VAL C . 26564 3 8 . 1 1 9 9 VAL CA C 13 60.019 0.001 . 1 . . . . 3 VAL CA . 26564 3 9 . 1 1 9 9 VAL CB C 13 33.171 0.000 . 1 . . . . 3 VAL CB . 26564 3 10 . 1 1 9 9 VAL N N 15 126.308 0.052 . 1 . . . . 3 VAL N . 26564 3 11 . 1 1 10 10 ILE H H 1 8.969 0.007 . 1 . . . . 4 ILE H . 26564 3 12 . 1 1 10 10 ILE C C 13 175.905 0.017 . 1 . . . . 4 ILE C . 26564 3 13 . 1 1 10 10 ILE CA C 13 60.299 0.085 . 1 . . . . 4 ILE CA . 26564 3 14 . 1 1 10 10 ILE CB C 13 38.299 0.000 . 1 . . . . 4 ILE CB . 26564 3 15 . 1 1 10 10 ILE N N 15 128.433 0.117 . 1 . . . . 4 ILE N . 26564 3 16 . 1 1 11 11 PHE H H 1 8.149 0.009 . 1 . . . . 5 PHE H . 26564 3 17 . 1 1 11 11 PHE C C 13 174.982 0.000 . 1 . . . . 5 PHE C . 26564 3 18 . 1 1 11 11 PHE CA C 13 60.521 0.000 . 1 . . . . 5 PHE CA . 26564 3 19 . 1 1 11 11 PHE N N 15 126.106 0.034 . 1 . . . . 5 PHE N . 26564 3 20 . 1 1 12 12 VAL C C 13 171.084 0.000 . 1 . . . . 6 VAL C . 26564 3 21 . 1 1 12 12 VAL CA C 13 60.310 0.018 . 1 . . . . 6 VAL CA . 26564 3 22 . 1 1 13 13 ASP H H 1 8.372 0.016 . 1 . . . . 7 ASP H . 26564 3 23 . 1 1 13 13 ASP HA H 1 4.789 0.011 . 1 . . . . 7 ASP HA . 26564 3 24 . 1 1 13 13 ASP C C 13 176.742 0.011 . 1 . . . . 7 ASP C . 26564 3 25 . 1 1 13 13 ASP CA C 13 50.828 0.007 . 1 . . . . 7 ASP CA . 26564 3 26 . 1 1 13 13 ASP CB C 13 42.828 0.000 . 1 . . . . 7 ASP CB . 26564 3 27 . 1 1 13 13 ASP N N 15 125.126 0.081 . 1 . . . . 7 ASP N . 26564 3 28 . 1 1 14 14 PHE H H 1 8.320 0.027 . 1 . . . . 8 PHE H . 26564 3 29 . 1 1 14 14 PHE C C 13 174.712 0.018 . 1 . . . . 8 PHE C . 26564 3 30 . 1 1 14 14 PHE CA C 13 53.483 0.042 . 1 . . . . 8 PHE CA . 26564 3 31 . 1 1 14 14 PHE CB C 13 35.542 0.017 . 1 . . . . 8 PHE CB . 26564 3 32 . 1 1 14 14 PHE N N 15 125.030 0.086 . 1 . . . . 8 PHE N . 26564 3 33 . 1 1 15 15 ASP H H 1 7.420 0.008 . 1 . . . . 9 ASP H . 26564 3 34 . 1 1 15 15 ASP C C 13 175.695 0.011 . 1 . . . . 9 ASP C . 26564 3 35 . 1 1 15 15 ASP CA C 13 55.613 0.034 . 1 . . . . 9 ASP CA . 26564 3 36 . 1 1 15 15 ASP CB C 13 40.505 0.024 . 1 . . . . 9 ASP CB . 26564 3 37 . 1 1 15 15 ASP N N 15 122.880 0.112 . 1 . . . . 9 ASP N . 26564 3 38 . 1 1 16 16 TYR H H 1 8.767 0.016 . 1 . . . . 10 TYR H . 26564 3 39 . 1 1 16 16 TYR C C 13 177.895 0.000 . 1 . . . . 10 TYR C . 26564 3 40 . 1 1 16 16 TYR CA C 13 56.179 0.067 . 1 . . . . 10 TYR CA . 26564 3 41 . 1 1 16 16 TYR CB C 13 36.313 0.052 . 1 . . . . 10 TYR CB . 26564 3 42 . 1 1 16 16 TYR N N 15 121.293 0.071 . 1 . . . . 10 TYR N . 26564 3 43 . 1 1 17 17 PHE H H 1 7.958 0.014 . 1 . . . . 11 PHE H . 26564 3 44 . 1 1 17 17 PHE C C 13 176.861 0.009 . 1 . . . . 11 PHE C . 26564 3 45 . 1 1 17 17 PHE CA C 13 61.504 0.069 . 1 . . . . 11 PHE CA . 26564 3 46 . 1 1 17 17 PHE CB C 13 39.423 0.024 . 1 . . . . 11 PHE CB . 26564 3 47 . 1 1 17 17 PHE N N 15 117.872 0.058 . 1 . . . . 11 PHE N . 26564 3 48 . 1 1 18 18 PHE H H 1 8.629 0.013 . 1 . . . . 12 PHE H . 26564 3 49 . 1 1 18 18 PHE C C 13 177.320 0.024 . 1 . . . . 12 PHE C . 26564 3 50 . 1 1 18 18 PHE CA C 13 56.779 0.029 . 1 . . . . 12 PHE CA . 26564 3 51 . 1 1 18 18 PHE CB C 13 36.331 0.001 . 1 . . . . 12 PHE CB . 26564 3 52 . 1 1 18 18 PHE N N 15 114.065 0.081 . 1 . . . . 12 PHE N . 26564 3 53 . 1 1 19 19 ALA H H 1 6.891 0.007 . 1 . . . . 13 ALA H . 26564 3 54 . 1 1 19 19 ALA C C 13 178.146 0.009 . 1 . . . . 13 ALA C . 26564 3 55 . 1 1 19 19 ALA CA C 13 53.595 0.045 . 1 . . . . 13 ALA CA . 26564 3 56 . 1 1 19 19 ALA CB C 13 17.713 0.052 . 1 . . . . 13 ALA CB . 26564 3 57 . 1 1 19 19 ALA N N 15 114.211 0.097 . 1 . . . . 13 ALA N . 26564 3 58 . 1 1 20 20 GLN H H 1 8.160 0.009 . 1 . . . . 14 GLN H . 26564 3 59 . 1 1 20 20 GLN C C 13 178.584 0.043 . 1 . . . . 14 GLN C . 26564 3 60 . 1 1 20 20 GLN CA C 13 59.938 0.057 . 1 . . . . 14 GLN CA . 26564 3 61 . 1 1 20 20 GLN CB C 13 28.449 0.012 . 1 . . . . 14 GLN CB . 26564 3 62 . 1 1 20 20 GLN N N 15 118.645 0.038 . 1 . . . . 14 GLN N . 26564 3 63 . 1 1 21 21 VAL H H 1 8.085 0.012 . 1 . . . . 15 VAL H . 26564 3 64 . 1 1 21 21 VAL C C 13 177.674 0.015 . 1 . . . . 15 VAL C . 26564 3 65 . 1 1 21 21 VAL CA C 13 66.363 0.006 . 1 . . . . 15 VAL CA . 26564 3 66 . 1 1 21 21 VAL CB C 13 29.507 0.054 . 1 . . . . 15 VAL CB . 26564 3 67 . 1 1 21 21 VAL N N 15 117.462 0.053 . 1 . . . . 15 VAL N . 26564 3 68 . 1 1 22 22 GLU H H 1 7.109 0.014 . 1 . . . . 16 GLU H . 26564 3 69 . 1 1 22 22 GLU C C 13 179.500 0.019 . 1 . . . . 16 GLU C . 26564 3 70 . 1 1 22 22 GLU CA C 13 58.610 0.009 . 1 . . . . 16 GLU CA . 26564 3 71 . 1 1 22 22 GLU CB C 13 27.973 0.061 . 1 . . . . 16 GLU CB . 26564 3 72 . 1 1 22 22 GLU N N 15 115.270 0.048 . 1 . . . . 16 GLU N . 26564 3 73 . 1 1 23 23 GLU H H 1 7.872 0.008 . 1 . . . . 17 GLU H . 26564 3 74 . 1 1 23 23 GLU C C 13 178.288 0.056 . 1 . . . . 17 GLU C . 26564 3 75 . 1 1 23 23 GLU CA C 13 58.873 0.076 . 1 . . . . 17 GLU CA . 26564 3 76 . 1 1 23 23 GLU CB C 13 29.925 0.049 . 1 . . . . 17 GLU CB . 26564 3 77 . 1 1 23 23 GLU N N 15 118.999 0.062 . 1 . . . . 17 GLU N . 26564 3 78 . 1 1 24 24 VAL H H 1 8.068 0.008 . 1 . . . . 18 VAL H . 26564 3 79 . 1 1 24 24 VAL C C 13 178.982 0.021 . 1 . . . . 18 VAL C . 26564 3 80 . 1 1 24 24 VAL CA C 13 65.454 0.069 . 1 . . . . 18 VAL CA . 26564 3 81 . 1 1 24 24 VAL CB C 13 31.153 0.013 . 1 . . . . 18 VAL CB . 26564 3 82 . 1 1 24 24 VAL N N 15 119.068 0.089 . 1 . . . . 18 VAL N . 26564 3 83 . 1 1 25 25 LEU H H 1 7.994 0.007 . 1 . . . . 19 LEU H . 26564 3 84 . 1 1 25 25 LEU C C 13 177.381 0.017 . 1 . . . . 19 LEU C . 26564 3 85 . 1 1 25 25 LEU CA C 13 55.818 0.034 . 1 . . . . 19 LEU CA . 26564 3 86 . 1 1 25 25 LEU CB C 13 41.497 0.024 . 1 . . . . 19 LEU CB . 26564 3 87 . 1 1 25 25 LEU N N 15 117.577 0.066 . 1 . . . . 19 LEU N . 26564 3 88 . 1 1 26 26 ASN H H 1 7.515 0.011 . 1 . . . . 20 ASN H . 26564 3 89 . 1 1 26 26 ASN C C 13 179.151 0.000 . 1 . . . . 20 ASN C . 26564 3 90 . 1 1 26 26 ASN CA C 13 50.346 0.000 . 1 . . . . 20 ASN CA . 26564 3 91 . 1 1 26 26 ASN CB C 13 38.918 0.000 . 1 . . . . 20 ASN CB . 26564 3 92 . 1 1 26 26 ASN N N 15 116.134 0.049 . 1 . . . . 20 ASN N . 26564 3 93 . 1 1 27 27 PRO C C 13 178.654 0.000 . 1 . . . . 21 PRO C . 26564 3 94 . 1 1 27 27 PRO CA C 13 64.386 0.023 . 1 . . . . 21 PRO CA . 26564 3 95 . 1 1 28 28 GLN H H 1 8.824 0.013 . 1 . . . . 22 GLN H . 26564 3 96 . 1 1 28 28 GLN C C 13 177.387 0.008 . 1 . . . . 22 GLN C . 26564 3 97 . 1 1 28 28 GLN CA C 13 57.343 0.030 . 1 . . . . 22 GLN CA . 26564 3 98 . 1 1 28 28 GLN CB C 13 26.475 0.016 . 1 . . . . 22 GLN CB . 26564 3 99 . 1 1 28 28 GLN N N 15 118.621 0.125 . 1 . . . . 22 GLN N . 26564 3 100 . 1 1 29 29 TYR H H 1 8.488 0.006 . 1 . . . . 23 TYR H . 26564 3 101 . 1 1 29 29 TYR C C 13 175.854 0.023 . 1 . . . . 23 TYR C . 26564 3 102 . 1 1 29 29 TYR CA C 13 54.459 0.054 . 1 . . . . 23 TYR CA . 26564 3 103 . 1 1 29 29 TYR CB C 13 37.371 0.049 . 1 . . . . 23 TYR CB . 26564 3 104 . 1 1 29 29 TYR N N 15 119.735 0.067 . 1 . . . . 23 TYR N . 26564 3 105 . 1 1 30 30 LYS H H 1 7.322 0.007 . 1 . . . . 24 LYS H . 26564 3 106 . 1 1 30 30 LYS C C 13 178.212 0.005 . 1 . . . . 24 LYS C . 26564 3 107 . 1 1 30 30 LYS CA C 13 58.080 0.015 . 1 . . . . 24 LYS CA . 26564 3 108 . 1 1 30 30 LYS CB C 13 31.500 0.039 . 1 . . . . 24 LYS CB . 26564 3 109 . 1 1 30 30 LYS N N 15 117.855 0.070 . 1 . . . . 24 LYS N . 26564 3 110 . 1 1 31 31 GLY H H 1 9.213 0.015 . 1 . . . . 25 GLY H . 26564 3 111 . 1 1 31 31 GLY C C 13 173.665 0.010 . 1 . . . . 25 GLY C . 26564 3 112 . 1 1 31 31 GLY CA C 13 44.841 0.018 . 1 . . . . 25 GLY CA . 26564 3 113 . 1 1 31 31 GLY N N 15 113.936 0.054 . 1 . . . . 25 GLY N . 26564 3 114 . 1 1 32 32 LYS H H 1 7.924 0.004 . 1 . . . . 26 LYS H . 26564 3 115 . 1 1 32 32 LYS C C 13 173.129 0.000 . 1 . . . . 26 LYS C . 26564 3 116 . 1 1 32 32 LYS CA C 13 52.764 0.000 . 1 . . . . 26 LYS CA . 26564 3 117 . 1 1 32 32 LYS CB C 13 31.655 0.000 . 1 . . . . 26 LYS CB . 26564 3 118 . 1 1 32 32 LYS N N 15 120.617 0.050 . 1 . . . . 26 LYS N . 26564 3 119 . 1 1 33 33 PRO C C 13 174.246 0.000 . 1 . . . . 27 PRO C . 26564 3 120 . 1 1 33 33 PRO CA C 13 62.623 0.037 . 1 . . . . 27 PRO CA . 26564 3 121 . 1 1 33 33 PRO CB C 13 29.563 0.000 . 1 . . . . 27 PRO CB . 26564 3 122 . 1 1 34 34 LEU H H 1 8.101 0.010 . 1 . . . . 28 LEU H . 26564 3 123 . 1 1 34 34 LEU C C 13 173.693 0.009 . 1 . . . . 28 LEU C . 26564 3 124 . 1 1 34 34 LEU CA C 13 54.261 0.043 . 1 . . . . 28 LEU CA . 26564 3 125 . 1 1 34 34 LEU CB C 13 44.900 0.017 . 1 . . . . 28 LEU CB . 26564 3 126 . 1 1 34 34 LEU N N 15 128.337 0.046 . 1 . . . . 28 LEU N . 26564 3 127 . 1 1 35 35 VAL H H 1 8.955 0.010 . 1 . . . . 29 VAL H . 26564 3 128 . 1 1 35 35 VAL HA H 1 4.125 0.000 . 1 . . . . 29 VAL HA . 26564 3 129 . 1 1 35 35 VAL C C 13 174.164 0.014 . 1 . . . . 29 VAL C . 26564 3 130 . 1 1 35 35 VAL CA C 13 60.484 0.073 . 1 . . . . 29 VAL CA . 26564 3 131 . 1 1 35 35 VAL CB C 13 33.769 0.007 . 1 . . . . 29 VAL CB . 26564 3 132 . 1 1 35 35 VAL N N 15 126.415 0.082 . 1 . . . . 29 VAL N . 26564 3 133 . 1 1 36 36 VAL H H 1 8.609 0.005 . 1 . . . . 30 VAL H . 26564 3 134 . 1 1 36 36 VAL HA H 1 4.947 0.000 . 1 . . . . 30 VAL HA . 26564 3 135 . 1 1 36 36 VAL C C 13 176.397 0.007 . 1 . . . . 30 VAL C . 26564 3 136 . 1 1 36 36 VAL CA C 13 60.873 0.047 . 1 . . . . 30 VAL CA . 26564 3 137 . 1 1 36 36 VAL CB C 13 31.490 0.029 . 1 . . . . 30 VAL CB . 26564 3 138 . 1 1 36 36 VAL N N 15 127.100 0.044 . 1 . . . . 30 VAL N . 26564 3 139 . 1 1 37 37 SER H H 1 9.417 0.008 . 1 . . . . 31 SER H . 26564 3 140 . 1 1 37 37 SER C C 13 172.182 0.006 . 1 . . . . 31 SER C . 26564 3 141 . 1 1 37 37 SER CA C 13 57.504 0.043 . 1 . . . . 31 SER CA . 26564 3 142 . 1 1 37 37 SER CB C 13 65.937 0.018 . 1 . . . . 31 SER CB . 26564 3 143 . 1 1 37 37 SER N N 15 125.458 0.035 . 1 . . . . 31 SER N . 26564 3 144 . 1 1 38 38 VAL H H 1 8.901 0.012 . 1 . . . . 32 VAL H . 26564 3 145 . 1 1 38 38 VAL C C 13 174.505 0.000 . 1 . . . . 32 VAL C . 26564 3 146 . 1 1 38 38 VAL CA C 13 60.188 0.076 . 1 . . . . 32 VAL CA . 26564 3 147 . 1 1 38 38 VAL CB C 13 33.077 0.000 . 1 . . . . 32 VAL CB . 26564 3 148 . 1 1 38 38 VAL N N 15 121.277 0.041 . 1 . . . . 32 VAL N . 26564 3 149 . 1 1 39 39 TYR H H 1 9.011 0.009 . 1 . . . . 33 TYR H . 26564 3 150 . 1 1 39 39 TYR CA C 13 62.499 0.000 . 1 . . . . 33 TYR CA . 26564 3 151 . 1 1 39 39 TYR CB C 13 38.596 0.000 . 1 . . . . 33 TYR CB . 26564 3 152 . 1 1 39 39 TYR N N 15 123.993 0.055 . 1 . . . . 33 TYR N . 26564 3 153 . 1 1 47 47 GLY C C 13 173.397 0.001 . 1 . . . . 41 GLY C . 26564 3 154 . 1 1 47 47 GLY CA C 13 44.929 0.024 . 1 . . . . 41 GLY CA . 26564 3 155 . 1 1 48 48 ALA H H 1 8.664 0.007 . 1 . . . . 42 ALA H . 26564 3 156 . 1 1 48 48 ALA C C 13 175.941 0.015 . 1 . . . . 42 ALA C . 26564 3 157 . 1 1 48 48 ALA CA C 13 50.240 0.005 . 1 . . . . 42 ALA CA . 26564 3 158 . 1 1 48 48 ALA CB C 13 22.152 0.019 . 1 . . . . 42 ALA CB . 26564 3 159 . 1 1 48 48 ALA N N 15 124.081 0.125 . 1 . . . . 42 ALA N . 26564 3 160 . 1 1 49 49 VAL H H 1 8.672 0.006 . 1 . . . . 43 VAL H . 26564 3 161 . 1 1 49 49 VAL C C 13 176.813 0.005 . 1 . . . . 43 VAL C . 26564 3 162 . 1 1 49 49 VAL CA C 13 63.378 0.055 . 1 . . . . 43 VAL CA . 26564 3 163 . 1 1 49 49 VAL CB C 13 31.919 0.036 . 1 . . . . 43 VAL CB . 26564 3 164 . 1 1 49 49 VAL N N 15 120.119 0.047 . 1 . . . . 43 VAL N . 26564 3 165 . 1 1 50 50 ALA H H 1 9.864 0.010 . 1 . . . . 44 ALA H . 26564 3 166 . 1 1 50 50 ALA HB1 H 1 1.502 0.000 . 1 . . . . 44 ALA HB1 . 26564 3 167 . 1 1 50 50 ALA HB2 H 1 1.502 0.000 . 1 . . . . 44 ALA HB2 . 26564 3 168 . 1 1 50 50 ALA HB3 H 1 1.502 0.000 . 1 . . . . 44 ALA HB3 . 26564 3 169 . 1 1 50 50 ALA C C 13 177.378 0.033 . 1 . . . . 44 ALA C . 26564 3 170 . 1 1 50 50 ALA CA C 13 53.557 0.047 . 1 . . . . 44 ALA CA . 26564 3 171 . 1 1 50 50 ALA CB C 13 18.658 0.075 . 1 . . . . 44 ALA CB . 26564 3 172 . 1 1 50 50 ALA N N 15 133.701 0.045 . 1 . . . . 44 ALA N . 26564 3 173 . 1 1 51 51 THR H H 1 7.708 0.007 . 1 . . . . 45 THR H . 26564 3 174 . 1 1 51 51 THR CA C 13 61.408 0.000 . 1 . . . . 45 THR CA . 26564 3 175 . 1 1 51 51 THR CB C 13 69.769 0.000 . 1 . . . . 45 THR CB . 26564 3 176 . 1 1 51 51 THR N N 15 108.877 0.093 . 1 . . . . 45 THR N . 26564 3 177 . 1 1 52 52 ALA C C 13 175.822 0.038 . 1 . . . . 46 ALA C . 26564 3 178 . 1 1 52 52 ALA CA C 13 49.437 0.047 . 1 . . . . 46 ALA CA . 26564 3 179 . 1 1 52 52 ALA CB C 13 21.634 0.000 . 1 . . . . 46 ALA CB . 26564 3 180 . 1 1 53 53 ASN H H 1 8.314 0.003 . 1 . . . . 47 ASN H . 26564 3 181 . 1 1 53 53 ASN CA C 13 50.474 0.008 . 1 . . . . 47 ASN CA . 26564 3 182 . 1 1 53 53 ASN CB C 13 37.477 0.000 . 1 . . . . 47 ASN CB . 26564 3 183 . 1 1 53 53 ASN N N 15 118.802 0.075 . 1 . . . . 47 ASN N . 26564 3 184 . 1 1 54 54 TYR H H 1 7.744 0.010 . 1 . . . . 48 TYR H . 26564 3 185 . 1 1 54 54 TYR C C 13 177.278 0.000 . 1 . . . . 48 TYR C . 26564 3 186 . 1 1 54 54 TYR CA C 13 62.181 0.033 . 1 . . . . 48 TYR CA . 26564 3 187 . 1 1 54 54 TYR N N 15 119.205 0.071 . 1 . . . . 48 TYR N . 26564 3 188 . 1 1 55 55 GLU H H 1 8.619 0.020 . 1 . . . . 49 GLU H . 26564 3 189 . 1 1 55 55 GLU C C 13 178.866 0.045 . 1 . . . . 49 GLU C . 26564 3 190 . 1 1 55 55 GLU CA C 13 59.943 0.008 . 1 . . . . 49 GLU CA . 26564 3 191 . 1 1 55 55 GLU CB C 13 27.123 0.034 . 1 . . . . 49 GLU CB . 26564 3 192 . 1 1 55 55 GLU N N 15 118.393 0.128 . 1 . . . . 49 GLU N . 26564 3 193 . 1 1 56 56 ALA H H 1 7.711 0.006 . 1 . . . . 50 ALA H . 26564 3 194 . 1 1 56 56 ALA C C 13 179.584 0.000 . 1 . . . . 50 ALA C . 26564 3 195 . 1 1 56 56 ALA CA C 13 54.236 0.013 . 1 . . . . 50 ALA CA . 26564 3 196 . 1 1 56 56 ALA CB C 13 17.903 0.002 . 1 . . . . 50 ALA CB . 26564 3 197 . 1 1 56 56 ALA N N 15 119.363 0.043 . 1 . . . . 50 ALA N . 26564 3 198 . 1 1 57 57 ARG H H 1 8.557 0.007 . 1 . . . . 51 ARG H . 26564 3 199 . 1 1 57 57 ARG C C 13 181.615 0.037 . 1 . . . . 51 ARG C . 26564 3 200 . 1 1 57 57 ARG CA C 13 58.611 0.021 . 1 . . . . 51 ARG CA . 26564 3 201 . 1 1 57 57 ARG CB C 13 28.513 0.018 . 1 . . . . 51 ARG CB . 26564 3 202 . 1 1 57 57 ARG N N 15 121.064 0.066 . 1 . . . . 51 ARG N . 26564 3 203 . 1 1 58 58 LYS H H 1 8.005 0.009 . 1 . . . . 52 LYS H . 26564 3 204 . 1 1 58 58 LYS C C 13 177.974 0.019 . 1 . . . . 52 LYS C . 26564 3 205 . 1 1 58 58 LYS CA C 13 58.484 0.000 . 1 . . . . 52 LYS CA . 26564 3 206 . 1 1 58 58 LYS CB C 13 31.257 0.012 . 1 . . . . 52 LYS CB . 26564 3 207 . 1 1 58 58 LYS N N 15 120.737 0.169 . 1 . . . . 52 LYS N . 26564 3 208 . 1 1 59 59 LEU H H 1 6.944 0.010 . 1 . . . . 53 LEU H . 26564 3 209 . 1 1 59 59 LEU C C 13 176.701 0.012 . 1 . . . . 53 LEU C . 26564 3 210 . 1 1 59 59 LEU CA C 13 54.866 0.037 . 1 . . . . 53 LEU CA . 26564 3 211 . 1 1 59 59 LEU CB C 13 41.250 0.009 . 1 . . . . 53 LEU CB . 26564 3 212 . 1 1 59 59 LEU N N 15 116.386 0.052 . 1 . . . . 53 LEU N . 26564 3 213 . 1 1 60 60 GLY H H 1 7.579 0.013 . 1 . . . . 54 GLY H . 26564 3 214 . 1 1 60 60 GLY HA2 H 1 4.396 0.001 . 2 . . . . 54 GLY HA2 . 26564 3 215 . 1 1 60 60 GLY HA3 H 1 3.559 0.010 . 2 . . . . 54 GLY HA3 . 26564 3 216 . 1 1 60 60 GLY C C 13 174.056 0.014 . 1 . . . . 54 GLY C . 26564 3 217 . 1 1 60 60 GLY CA C 13 43.880 0.012 . 1 . . . . 54 GLY CA . 26564 3 218 . 1 1 60 60 GLY N N 15 103.063 0.053 . 1 . . . . 54 GLY N . 26564 3 219 . 1 1 61 61 VAL H H 1 7.267 0.003 . 1 . . . . 55 VAL H . 26564 3 220 . 1 1 61 61 VAL C C 13 174.403 0.013 . 1 . . . . 55 VAL C . 26564 3 221 . 1 1 61 61 VAL CA C 13 63.677 0.013 . 1 . . . . 55 VAL CA . 26564 3 222 . 1 1 61 61 VAL CB C 13 30.514 0.020 . 1 . . . . 55 VAL CB . 26564 3 223 . 1 1 61 61 VAL N N 15 119.835 0.055 . 1 . . . . 55 VAL N . 26564 3 224 . 1 1 62 62 LYS H H 1 7.075 0.012 . 1 . . . . 56 LYS H . 26564 3 225 . 1 1 62 62 LYS C C 13 175.166 0.000 . 1 . . . . 56 LYS C . 26564 3 226 . 1 1 62 62 LYS CA C 13 53.672 0.002 . 1 . . . . 56 LYS CA . 26564 3 227 . 1 1 62 62 LYS CB C 13 35.750 0.000 . 1 . . . . 56 LYS CB . 26564 3 228 . 1 1 62 62 LYS N N 15 123.801 0.047 . 1 . . . . 56 LYS N . 26564 3 229 . 1 1 63 63 ALA C C 13 178.367 0.000 . 1 . . . . 57 ALA C . 26564 3 230 . 1 1 63 63 ALA CA C 13 53.236 0.009 . 1 . . . . 57 ALA CA . 26564 3 231 . 1 1 63 63 ALA CB C 13 17.751 0.000 . 1 . . . . 57 ALA CB . 26564 3 232 . 1 1 64 64 GLY H H 1 8.958 0.008 . 1 . . . . 58 GLY H . 26564 3 233 . 1 1 64 64 GLY HA2 H 1 3.647 0.006 . 2 . . . . 58 GLY HA2 . 26564 3 234 . 1 1 64 64 GLY HA3 H 1 4.420 0.015 . 2 . . . . 58 GLY HA3 . 26564 3 235 . 1 1 64 64 GLY C C 13 173.996 0.050 . 1 . . . . 58 GLY C . 26564 3 236 . 1 1 64 64 GLY CA C 13 44.607 0.010 . 1 . . . . 58 GLY CA . 26564 3 237 . 1 1 64 64 GLY N N 15 110.986 0.046 . 1 . . . . 58 GLY N . 26564 3 238 . 1 1 65 65 MET H H 1 7.565 0.004 . 1 . . . . 59 MET H . 26564 3 239 . 1 1 65 65 MET C C 13 173.649 0.000 . 1 . . . . 59 MET C . 26564 3 240 . 1 1 65 65 MET CA C 13 54.255 0.000 . 1 . . . . 59 MET CA . 26564 3 241 . 1 1 65 65 MET CB C 13 34.447 0.000 . 1 . . . . 59 MET CB . 26564 3 242 . 1 1 65 65 MET N N 15 121.723 0.074 . 1 . . . . 59 MET N . 26564 3 243 . 1 1 66 66 PRO C C 13 178.679 0.009 . 1 . . . . 60 PRO C . 26564 3 244 . 1 1 66 66 PRO CA C 13 62.628 0.001 . 1 . . . . 60 PRO CA . 26564 3 245 . 1 1 66 66 PRO CB C 13 31.821 0.000 . 1 . . . . 60 PRO CB . 26564 3 246 . 1 1 67 67 ILE H H 1 8.382 0.013 . 1 . . . . 61 ILE H . 26564 3 247 . 1 1 67 67 ILE C C 13 177.146 0.003 . 1 . . . . 61 ILE C . 26564 3 248 . 1 1 67 67 ILE CA C 13 62.756 0.046 . 1 . . . . 61 ILE CA . 26564 3 249 . 1 1 67 67 ILE CB C 13 36.332 0.001 . 1 . . . . 61 ILE CB . 26564 3 250 . 1 1 67 67 ILE N N 15 127.737 0.049 . 1 . . . . 61 ILE N . 26564 3 251 . 1 1 68 68 ILE H H 1 8.258 0.010 . 1 . . . . 62 ILE H . 26564 3 252 . 1 1 68 68 ILE C C 13 177.301 0.024 . 1 . . . . 62 ILE C . 26564 3 253 . 1 1 68 68 ILE CA C 13 63.352 0.065 . 1 . . . . 62 ILE CA . 26564 3 254 . 1 1 68 68 ILE CB C 13 36.904 0.004 . 1 . . . . 62 ILE CB . 26564 3 255 . 1 1 68 68 ILE N N 15 117.123 0.082 . 1 . . . . 62 ILE N . 26564 3 256 . 1 1 69 69 LYS H H 1 6.717 0.007 . 1 . . . . 63 LYS H . 26564 3 257 . 1 1 69 69 LYS C C 13 178.640 0.009 . 1 . . . . 63 LYS C . 26564 3 258 . 1 1 69 69 LYS CA C 13 57.214 0.025 . 1 . . . . 63 LYS CA . 26564 3 259 . 1 1 69 69 LYS CB C 13 31.292 0.014 . 1 . . . . 63 LYS CB . 26564 3 260 . 1 1 69 69 LYS N N 15 119.604 0.054 . 1 . . . . 63 LYS N . 26564 3 261 . 1 1 70 70 ALA H H 1 7.952 0.006 . 1 . . . . 64 ALA H . 26564 3 262 . 1 1 70 70 ALA C C 13 178.104 0.002 . 1 . . . . 64 ALA C . 26564 3 263 . 1 1 70 70 ALA CA C 13 55.149 0.023 . 1 . . . . 64 ALA CA . 26564 3 264 . 1 1 70 70 ALA CB C 13 17.369 0.015 . 1 . . . . 64 ALA CB . 26564 3 265 . 1 1 70 70 ALA N N 15 123.301 0.047 . 1 . . . . 64 ALA N . 26564 3 266 . 1 1 71 71 MET H H 1 8.356 0.007 . 1 . . . . 65 MET H . 26564 3 267 . 1 1 71 71 MET C C 13 177.385 0.016 . 1 . . . . 65 MET C . 26564 3 268 . 1 1 71 71 MET CA C 13 58.311 0.050 . 1 . . . . 65 MET CA . 26564 3 269 . 1 1 71 71 MET CB C 13 31.692 0.067 . 1 . . . . 65 MET CB . 26564 3 270 . 1 1 71 71 MET N N 15 114.087 0.048 . 1 . . . . 65 MET N . 26564 3 271 . 1 1 72 72 GLN H H 1 7.208 0.009 . 1 . . . . 66 GLN H . 26564 3 272 . 1 1 72 72 GLN C C 13 177.965 0.007 . 1 . . . . 66 GLN C . 26564 3 273 . 1 1 72 72 GLN CA C 13 57.504 0.050 . 1 . . . . 66 GLN CA . 26564 3 274 . 1 1 72 72 GLN CB C 13 28.147 0.000 . 1 . . . . 66 GLN CB . 26564 3 275 . 1 1 72 72 GLN N N 15 116.084 0.042 . 1 . . . . 66 GLN N . 26564 3 276 . 1 1 73 73 ILE H H 1 7.326 0.007 . 1 . . . . 67 ILE H . 26564 3 277 . 1 1 73 73 ILE C C 13 175.593 0.011 . 1 . . . . 67 ILE C . 26564 3 278 . 1 1 73 73 ILE CA C 13 62.433 0.048 . 1 . . . . 67 ILE CA . 26564 3 279 . 1 1 73 73 ILE CB C 13 38.271 0.003 . 1 . . . . 67 ILE CB . 26564 3 280 . 1 1 73 73 ILE N N 15 115.351 0.060 . 1 . . . . 67 ILE N . 26564 3 281 . 1 1 74 74 ALA H H 1 8.638 0.004 . 1 . . . . 68 ALA H . 26564 3 282 . 1 1 74 74 ALA C C 13 175.635 0.000 . 1 . . . . 68 ALA C . 26564 3 283 . 1 1 74 74 ALA CA C 13 49.119 0.000 . 1 . . . . 68 ALA CA . 26564 3 284 . 1 1 74 74 ALA CB C 13 18.290 0.000 . 1 . . . . 68 ALA CB . 26564 3 285 . 1 1 74 74 ALA N N 15 122.231 0.045 . 1 . . . . 68 ALA N . 26564 3 286 . 1 1 75 75 PRO C C 13 175.119 0.000 . 1 . . . . 69 PRO C . 26564 3 287 . 1 1 75 75 PRO CA C 13 60.977 0.000 . 1 . . . . 69 PRO CA . 26564 3 288 . 1 1 76 76 SER H H 1 7.716 0.006 . 1 . . . . 70 SER H . 26564 3 289 . 1 1 76 76 SER C C 13 174.507 0.000 . 1 . . . . 70 SER C . 26564 3 290 . 1 1 76 76 SER CA C 13 57.334 0.039 . 1 . . . . 70 SER CA . 26564 3 291 . 1 1 76 76 SER CB C 13 63.219 0.000 . 1 . . . . 70 SER CB . 26564 3 292 . 1 1 76 76 SER N N 15 129.293 0.093 . 1 . . . . 70 SER N . 26564 3 293 . 1 1 77 77 ALA H H 1 7.010 0.008 . 1 . . . . 71 ALA H . 26564 3 294 . 1 1 77 77 ALA C C 13 173.714 0.003 . 1 . . . . 71 ALA C . 26564 3 295 . 1 1 77 77 ALA CA C 13 51.203 0.024 . 1 . . . . 71 ALA CA . 26564 3 296 . 1 1 77 77 ALA CB C 13 17.638 0.016 . 1 . . . . 71 ALA CB . 26564 3 297 . 1 1 77 77 ALA N N 15 122.363 0.066 . 1 . . . . 71 ALA N . 26564 3 298 . 1 1 78 78 ILE H H 1 8.017 0.005 . 1 . . . . 72 ILE H . 26564 3 299 . 1 1 78 78 ILE C C 13 174.549 0.006 . 1 . . . . 72 ILE C . 26564 3 300 . 1 1 78 78 ILE CA C 13 60.048 0.020 . 1 . . . . 72 ILE CA . 26564 3 301 . 1 1 78 78 ILE CB C 13 36.977 0.037 . 1 . . . . 72 ILE CB . 26564 3 302 . 1 1 78 78 ILE N N 15 120.449 0.067 . 1 . . . . 72 ILE N . 26564 3 303 . 1 1 79 79 TYR H H 1 8.279 0.019 . 1 . . . . 73 TYR H . 26564 3 304 . 1 1 79 79 TYR C C 13 176.446 0.006 . 1 . . . . 73 TYR C . 26564 3 305 . 1 1 79 79 TYR CA C 13 57.066 0.008 . 1 . . . . 73 TYR CA . 26564 3 306 . 1 1 79 79 TYR CB C 13 38.643 0.021 . 1 . . . . 73 TYR CB . 26564 3 307 . 1 1 79 79 TYR N N 15 126.768 0.056 . 1 . . . . 73 TYR N . 26564 3 308 . 1 1 80 80 VAL H H 1 8.845 0.010 . 1 . . . . 74 VAL H . 26564 3 309 . 1 1 80 80 VAL C C 13 173.328 0.000 . 1 . . . . 74 VAL C . 26564 3 310 . 1 1 80 80 VAL CA C 13 57.203 0.000 . 1 . . . . 74 VAL CA . 26564 3 311 . 1 1 80 80 VAL CB C 13 32.614 0.000 . 1 . . . . 74 VAL CB . 26564 3 312 . 1 1 80 80 VAL N N 15 119.644 0.051 . 1 . . . . 74 VAL N . 26564 3 313 . 1 1 81 81 PRO C C 13 176.634 0.002 . 1 . . . . 75 PRO C . 26564 3 314 . 1 1 81 81 PRO CA C 13 61.478 0.024 . 1 . . . . 75 PRO CA . 26564 3 315 . 1 1 81 81 PRO CB C 13 31.664 0.000 . 1 . . . . 75 PRO CB . 26564 3 316 . 1 1 82 82 MET H H 1 8.173 0.006 . 1 . . . . 76 MET H . 26564 3 317 . 1 1 82 82 MET C C 13 176.332 0.014 . 1 . . . . 76 MET C . 26564 3 318 . 1 1 82 82 MET CA C 13 56.607 0.004 . 1 . . . . 76 MET CA . 26564 3 319 . 1 1 82 82 MET CB C 13 33.385 0.024 . 1 . . . . 76 MET CB . 26564 3 320 . 1 1 82 82 MET N N 15 118.905 0.074 . 1 . . . . 76 MET N . 26564 3 321 . 1 1 83 83 ARG H H 1 7.399 0.016 . 1 . . . . 77 ARG H . 26564 3 322 . 1 1 83 83 ARG C C 13 174.466 0.006 . 1 . . . . 77 ARG C . 26564 3 323 . 1 1 83 83 ARG CA C 13 53.379 0.049 . 1 . . . . 77 ARG CA . 26564 3 324 . 1 1 83 83 ARG CB C 13 29.068 0.022 . 1 . . . . 77 ARG CB . 26564 3 325 . 1 1 83 83 ARG N N 15 127.309 0.074 . 1 . . . . 77 ARG N . 26564 3 326 . 1 1 84 84 LYS H H 1 8.082 0.003 . 1 . . . . 78 LYS H . 26564 3 327 . 1 1 84 84 LYS C C 13 173.797 0.000 . 1 . . . . 78 LYS C . 26564 3 328 . 1 1 84 84 LYS CA C 13 61.167 0.000 . 1 . . . . 78 LYS CA . 26564 3 329 . 1 1 84 84 LYS CB C 13 28.809 0.000 . 1 . . . . 78 LYS CB . 26564 3 330 . 1 1 84 84 LYS N N 15 121.594 0.097 . 1 . . . . 78 LYS N . 26564 3 331 . 1 1 85 85 PRO C C 13 180.201 0.029 . 1 . . . . 79 PRO C . 26564 3 332 . 1 1 85 85 PRO CA C 13 65.763 0.056 . 1 . . . . 79 PRO CA . 26564 3 333 . 1 1 85 85 PRO CB C 13 30.347 0.000 . 1 . . . . 79 PRO CB . 26564 3 334 . 1 1 86 86 ILE H H 1 6.809 0.007 . 1 . . . . 80 ILE H . 26564 3 335 . 1 1 86 86 ILE C C 13 178.189 0.006 . 1 . . . . 80 ILE C . 26564 3 336 . 1 1 86 86 ILE CA C 13 62.702 0.000 . 1 . . . . 80 ILE CA . 26564 3 337 . 1 1 86 86 ILE CB C 13 35.850 0.001 . 1 . . . . 80 ILE CB . 26564 3 338 . 1 1 86 86 ILE N N 15 116.868 0.053 . 1 . . . . 80 ILE N . 26564 3 339 . 1 1 87 87 TYR H H 1 6.857 0.007 . 1 . . . . 81 TYR H . 26564 3 340 . 1 1 87 87 TYR C C 13 179.404 0.017 . 1 . . . . 81 TYR C . 26564 3 341 . 1 1 87 87 TYR CA C 13 57.309 0.040 . 1 . . . . 81 TYR CA . 26564 3 342 . 1 1 87 87 TYR CB C 13 35.691 0.026 . 1 . . . . 81 TYR CB . 26564 3 343 . 1 1 87 87 TYR N N 15 122.093 0.064 . 1 . . . . 81 TYR N . 26564 3 344 . 1 1 88 88 GLU H H 1 8.880 0.007 . 1 . . . . 82 GLU H . 26564 3 345 . 1 1 88 88 GLU C C 13 178.433 0.014 . 1 . . . . 82 GLU C . 26564 3 346 . 1 1 88 88 GLU CA C 13 59.647 0.036 . 1 . . . . 82 GLU CA . 26564 3 347 . 1 1 88 88 GLU CB C 13 29.180 0.074 . 1 . . . . 82 GLU CB . 26564 3 348 . 1 1 88 88 GLU N N 15 119.021 0.065 . 1 . . . . 82 GLU N . 26564 3 349 . 1 1 89 89 ALA H H 1 7.662 0.008 . 1 . . . . 83 ALA H . 26564 3 350 . 1 1 89 89 ALA C C 13 180.829 0.043 . 1 . . . . 83 ALA C . 26564 3 351 . 1 1 89 89 ALA CA C 13 55.118 0.010 . 1 . . . . 83 ALA CA . 26564 3 352 . 1 1 89 89 ALA CB C 13 17.157 0.052 . 1 . . . . 83 ALA CB . 26564 3 353 . 1 1 89 89 ALA N N 15 122.406 0.054 . 1 . . . . 83 ALA N . 26564 3 354 . 1 1 90 90 PHE H H 1 8.217 0.007 . 1 . . . . 84 PHE H . 26564 3 355 . 1 1 90 90 PHE C C 13 178.264 0.005 . 1 . . . . 84 PHE C . 26564 3 356 . 1 1 90 90 PHE CA C 13 61.292 0.021 . 1 . . . . 84 PHE CA . 26564 3 357 . 1 1 90 90 PHE CB C 13 40.238 0.022 . 1 . . . . 84 PHE CB . 26564 3 358 . 1 1 90 90 PHE N N 15 118.636 0.095 . 1 . . . . 84 PHE N . 26564 3 359 . 1 1 91 91 SER H H 1 8.868 0.008 . 1 . . . . 85 SER H . 26564 3 360 . 1 1 91 91 SER C C 13 176.793 0.000 . 1 . . . . 85 SER C . 26564 3 361 . 1 1 91 91 SER CA C 13 61.374 0.085 . 1 . . . . 85 SER CA . 26564 3 362 . 1 1 91 91 SER CB C 13 62.547 0.098 . 1 . . . . 85 SER CB . 26564 3 363 . 1 1 91 91 SER N N 15 112.070 0.048 . 1 . . . . 85 SER N . 26564 3 364 . 1 1 92 92 ASN H H 1 8.730 0.010 . 1 . . . . 86 ASN H . 26564 3 365 . 1 1 92 92 ASN C C 13 178.065 0.004 . 1 . . . . 86 ASN C . 26564 3 366 . 1 1 92 92 ASN CA C 13 56.485 0.030 . 1 . . . . 86 ASN CA . 26564 3 367 . 1 1 92 92 ASN CB C 13 38.150 0.019 . 1 . . . . 86 ASN CB . 26564 3 368 . 1 1 92 92 ASN N N 15 116.567 0.084 . 1 . . . . 86 ASN N . 26564 3 369 . 1 1 93 93 ARG H H 1 7.683 0.005 . 1 . . . . 87 ARG H . 26564 3 370 . 1 1 93 93 ARG C C 13 180.027 0.051 . 1 . . . . 87 ARG C . 26564 3 371 . 1 1 93 93 ARG CA C 13 60.264 0.064 . 1 . . . . 87 ARG CA . 26564 3 372 . 1 1 93 93 ARG CB C 13 29.799 0.017 . 1 . . . . 87 ARG CB . 26564 3 373 . 1 1 93 93 ARG N N 15 117.779 0.061 . 1 . . . . 87 ARG N . 26564 3 374 . 1 1 94 94 ILE H H 1 8.039 0.014 . 1 . . . . 88 ILE H . 26564 3 375 . 1 1 94 94 ILE C C 13 178.194 0.012 . 1 . . . . 88 ILE C . 26564 3 376 . 1 1 94 94 ILE CA C 13 65.451 0.044 . 1 . . . . 88 ILE CA . 26564 3 377 . 1 1 94 94 ILE CB C 13 36.291 0.000 . 1 . . . . 88 ILE CB . 26564 3 378 . 1 1 94 94 ILE N N 15 120.973 0.089 . 1 . . . . 88 ILE N . 26564 3 379 . 1 1 95 95 MET H H 1 9.361 0.014 . 1 . . . . 89 MET H . 26564 3 380 . 1 1 95 95 MET C C 13 179.436 0.012 . 1 . . . . 89 MET C . 26564 3 381 . 1 1 95 95 MET CA C 13 57.779 0.037 . 1 . . . . 89 MET CA . 26564 3 382 . 1 1 95 95 MET CB C 13 29.754 0.061 . 1 . . . . 89 MET CB . 26564 3 383 . 1 1 95 95 MET N N 15 118.626 0.072 . 1 . . . . 89 MET N . 26564 3 384 . 1 1 96 96 ASN H H 1 7.818 0.006 . 1 . . . . 90 ASN H . 26564 3 385 . 1 1 96 96 ASN C C 13 177.772 0.010 . 1 . . . . 90 ASN C . 26564 3 386 . 1 1 96 96 ASN CA C 13 55.875 0.083 . 1 . . . . 90 ASN CA . 26564 3 387 . 1 1 96 96 ASN CB C 13 38.223 0.036 . 1 . . . . 90 ASN CB . 26564 3 388 . 1 1 96 96 ASN N N 15 116.384 0.065 . 1 . . . . 90 ASN N . 26564 3 389 . 1 1 97 97 LEU H H 1 7.555 0.011 . 1 . . . . 91 LEU H . 26564 3 390 . 1 1 97 97 LEU C C 13 179.459 0.041 . 1 . . . . 91 LEU C . 26564 3 391 . 1 1 97 97 LEU CA C 13 57.853 0.024 . 1 . . . . 91 LEU CA . 26564 3 392 . 1 1 97 97 LEU CB C 13 40.896 0.004 . 1 . . . . 91 LEU CB . 26564 3 393 . 1 1 97 97 LEU N N 15 121.953 0.062 . 1 . . . . 91 LEU N . 26564 3 394 . 1 1 98 98 LEU H H 1 8.148 0.009 . 1 . . . . 92 LEU H . 26564 3 395 . 1 1 98 98 LEU C C 13 178.744 0.030 . 1 . . . . 92 LEU C . 26564 3 396 . 1 1 98 98 LEU CA C 13 57.256 0.016 . 1 . . . . 92 LEU CA . 26564 3 397 . 1 1 98 98 LEU CB C 13 40.846 0.009 . 1 . . . . 92 LEU CB . 26564 3 398 . 1 1 98 98 LEU N N 15 117.160 0.055 . 1 . . . . 92 LEU N . 26564 3 399 . 1 1 99 99 ASN H H 1 7.861 0.006 . 1 . . . . 93 ASN H . 26564 3 400 . 1 1 99 99 ASN C C 13 176.956 0.023 . 1 . . . . 93 ASN C . 26564 3 401 . 1 1 99 99 ASN CA C 13 55.890 0.016 . 1 . . . . 93 ASN CA . 26564 3 402 . 1 1 99 99 ASN CB C 13 38.959 0.010 . 1 . . . . 93 ASN CB . 26564 3 403 . 1 1 99 99 ASN N N 15 115.267 0.060 . 1 . . . . 93 ASN N . 26564 3 404 . 1 1 100 100 LYS H H 1 7.190 0.009 . 1 . . . . 94 LYS H . 26564 3 405 . 1 1 100 100 LYS C C 13 177.183 0.013 . 1 . . . . 94 LYS C . 26564 3 406 . 1 1 100 100 LYS CA C 13 57.375 0.076 . 1 . . . . 94 LYS CA . 26564 3 407 . 1 1 100 100 LYS CB C 13 31.066 0.081 . 1 . . . . 94 LYS CB . 26564 3 408 . 1 1 100 100 LYS N N 15 114.604 0.136 . 1 . . . . 94 LYS N . 26564 3 409 . 1 1 101 101 HIS H H 1 7.374 0.003 . 1 . . . . 95 HIS H . 26564 3 410 . 1 1 101 101 HIS C C 13 173.188 0.005 . 1 . . . . 95 HIS C . 26564 3 411 . 1 1 101 101 HIS CA C 13 56.109 0.081 . 1 . . . . 95 HIS CA . 26564 3 412 . 1 1 101 101 HIS CB C 13 32.665 0.030 . 1 . . . . 95 HIS CB . 26564 3 413 . 1 1 101 101 HIS N N 15 116.578 0.073 . 1 . . . . 95 HIS N . 26564 3 414 . 1 1 102 102 ALA H H 1 7.054 0.011 . 1 . . . . 96 ALA H . 26564 3 415 . 1 1 102 102 ALA C C 13 176.769 0.012 . 1 . . . . 96 ALA C . 26564 3 416 . 1 1 102 102 ALA CA C 13 50.705 0.010 . 1 . . . . 96 ALA CA . 26564 3 417 . 1 1 102 102 ALA CB C 13 22.346 0.006 . 1 . . . . 96 ALA CB . 26564 3 418 . 1 1 102 102 ALA N N 15 116.591 0.038 . 1 . . . . 96 ALA N . 26564 3 419 . 1 1 103 103 ASP H H 1 8.778 0.009 . 1 . . . . 97 ASP H . 26564 3 420 . 1 1 103 103 ASP C C 13 177.179 0.021 . 1 . . . . 97 ASP C . 26564 3 421 . 1 1 103 103 ASP CA C 13 56.650 0.077 . 1 . . . . 97 ASP CA . 26564 3 422 . 1 1 103 103 ASP CB C 13 40.987 0.000 . 1 . . . . 97 ASP CB . 26564 3 423 . 1 1 103 103 ASP N N 15 120.842 0.045 . 1 . . . . 97 ASP N . 26564 3 424 . 1 1 104 104 LYS H H 1 7.517 0.004 . 1 . . . . 98 LYS H . 26564 3 425 . 1 1 104 104 LYS C C 13 174.066 0.006 . 1 . . . . 98 LYS C . 26564 3 426 . 1 1 104 104 LYS CA C 13 55.093 0.048 . 1 . . . . 98 LYS CA . 26564 3 427 . 1 1 104 104 LYS CB C 13 35.700 0.014 . 1 . . . . 98 LYS CB . 26564 3 428 . 1 1 104 104 LYS N N 15 114.908 0.069 . 1 . . . . 98 LYS N . 26564 3 429 . 1 1 105 105 ILE H H 1 8.523 0.004 . 1 . . . . 99 ILE H . 26564 3 430 . 1 1 105 105 ILE C C 13 172.603 0.014 . 1 . . . . 99 ILE C . 26564 3 431 . 1 1 105 105 ILE CA C 13 58.657 0.023 . 1 . . . . 99 ILE CA . 26564 3 432 . 1 1 105 105 ILE CB C 13 41.377 0.031 . 1 . . . . 99 ILE CB . 26564 3 433 . 1 1 105 105 ILE N N 15 121.984 0.063 . 1 . . . . 99 ILE N . 26564 3 434 . 1 1 106 106 GLU H H 1 9.288 0.008 . 1 . . . . 100 GLU H . 26564 3 435 . 1 1 106 106 GLU C C 13 175.448 0.010 . 1 . . . . 100 GLU C . 26564 3 436 . 1 1 106 106 GLU CA C 13 54.280 0.022 . 1 . . . . 100 GLU CA . 26564 3 437 . 1 1 106 106 GLU CB C 13 32.457 0.038 . 1 . . . . 100 GLU CB . 26564 3 438 . 1 1 106 106 GLU N N 15 128.426 0.097 . 1 . . . . 100 GLU N . 26564 3 439 . 1 1 107 107 VAL H H 1 8.740 0.015 . 1 . . . . 101 VAL H . 26564 3 440 . 1 1 107 107 VAL C C 13 175.565 0.035 . 1 . . . . 101 VAL C . 26564 3 441 . 1 1 107 107 VAL CA C 13 63.029 0.015 . 1 . . . . 101 VAL CA . 26564 3 442 . 1 1 107 107 VAL CB C 13 30.273 0.004 . 1 . . . . 101 VAL CB . 26564 3 443 . 1 1 107 107 VAL N N 15 128.783 0.062 . 1 . . . . 101 VAL N . 26564 3 444 . 1 1 108 108 ALA H H 1 8.239 0.010 . 1 . . . . 102 ALA H . 26564 3 445 . 1 1 108 108 ALA C C 13 177.315 0.009 . 1 . . . . 102 ALA C . 26564 3 446 . 1 1 108 108 ALA CA C 13 53.103 0.024 . 1 . . . . 102 ALA CA . 26564 3 447 . 1 1 108 108 ALA CB C 13 19.755 0.038 . 1 . . . . 102 ALA CB . 26564 3 448 . 1 1 108 108 ALA N N 15 133.904 0.044 . 1 . . . . 102 ALA N . 26564 3 449 . 1 1 109 109 SER H H 1 8.470 0.005 . 1 . . . . 103 SER H . 26564 3 450 . 1 1 109 109 SER CA C 13 56.461 0.000 . 1 . . . . 103 SER CA . 26564 3 451 . 1 1 109 109 SER CB C 13 63.968 0.000 . 1 . . . . 103 SER CB . 26564 3 452 . 1 1 109 109 SER N N 15 112.140 0.081 . 1 . . . . 103 SER N . 26564 3 453 . 1 1 110 110 ILE C C 13 173.703 0.018 . 1 . . . . 104 ILE C . 26564 3 454 . 1 1 110 110 ILE CA C 13 62.704 0.025 . 1 . . . . 104 ILE CA . 26564 3 455 . 1 1 111 111 ASP H H 1 8.037 0.008 . 1 . . . . 105 ASP H . 26564 3 456 . 1 1 111 111 ASP C C 13 173.226 0.000 . 1 . . . . 105 ASP C . 26564 3 457 . 1 1 111 111 ASP CA C 13 50.543 0.046 . 1 . . . . 105 ASP CA . 26564 3 458 . 1 1 111 111 ASP CB C 13 40.820 0.039 . 1 . . . . 105 ASP CB . 26564 3 459 . 1 1 111 111 ASP N N 15 116.169 0.083 . 1 . . . . 105 ASP N . 26564 3 460 . 1 1 112 112 GLU H H 1 6.428 0.008 . 1 . . . . 106 GLU H . 26564 3 461 . 1 1 112 112 GLU C C 13 174.960 0.018 . 1 . . . . 106 GLU C . 26564 3 462 . 1 1 112 112 GLU CA C 13 54.479 0.039 . 1 . . . . 106 GLU CA . 26564 3 463 . 1 1 112 112 GLU CB C 13 35.407 0.047 . 1 . . . . 106 GLU CB . 26564 3 464 . 1 1 112 112 GLU N N 15 113.772 0.056 . 1 . . . . 106 GLU N . 26564 3 465 . 1 1 113 113 ALA H H 1 8.136 0.005 . 1 . . . . 107 ALA H . 26564 3 466 . 1 1 113 113 ALA C C 13 174.370 0.006 . 1 . . . . 107 ALA C . 26564 3 467 . 1 1 113 113 ALA CA C 13 50.699 0.040 . 1 . . . . 107 ALA CA . 26564 3 468 . 1 1 113 113 ALA CB C 13 22.789 0.000 . 1 . . . . 107 ALA CB . 26564 3 469 . 1 1 113 113 ALA N N 15 121.869 0.047 . 1 . . . . 107 ALA N . 26564 3 470 . 1 1 114 114 TYR H H 1 9.006 0.007 . 1 . . . . 108 TYR H . 26564 3 471 . 1 1 114 114 TYR C C 13 175.158 0.000 . 1 . . . . 108 TYR C . 26564 3 472 . 1 1 114 114 TYR CA C 13 56.924 0.095 . 1 . . . . 108 TYR CA . 26564 3 473 . 1 1 114 114 TYR CB C 13 41.135 0.000 . 1 . . . . 108 TYR CB . 26564 3 474 . 1 1 114 114 TYR N N 15 116.000 0.092 . 1 . . . . 108 TYR N . 26564 3 475 . 1 1 115 115 LEU H H 1 10.097 0.014 . 1 . . . . 109 LEU H . 26564 3 476 . 1 1 115 115 LEU HA H 1 4.558 0.000 . 1 . . . . 109 LEU HA . 26564 3 477 . 1 1 115 115 LEU C C 13 175.409 0.006 . 1 . . . . 109 LEU C . 26564 3 478 . 1 1 115 115 LEU CA C 13 54.015 0.093 . 1 . . . . 109 LEU CA . 26564 3 479 . 1 1 115 115 LEU CB C 13 42.616 0.028 . 1 . . . . 109 LEU CB . 26564 3 480 . 1 1 115 115 LEU N N 15 124.228 0.105 . 1 . . . . 109 LEU N . 26564 3 481 . 1 1 116 116 ASP H H 1 8.643 0.007 . 1 . . . . 110 ASP H . 26564 3 482 . 1 1 116 116 ASP C C 13 177.415 0.000 . 1 . . . . 110 ASP C . 26564 3 483 . 1 1 116 116 ASP CA C 13 53.347 0.091 . 1 . . . . 110 ASP CA . 26564 3 484 . 1 1 116 116 ASP CB C 13 41.377 0.000 . 1 . . . . 110 ASP CB . 26564 3 485 . 1 1 116 116 ASP N N 15 123.330 0.066 . 1 . . . . 110 ASP N . 26564 3 486 . 1 1 117 117 VAL H H 1 8.242 0.005 . 1 . . . . 111 VAL H . 26564 3 487 . 1 1 117 117 VAL CA C 13 59.834 0.000 . 1 . . . . 111 VAL CA . 26564 3 488 . 1 1 117 117 VAL CB C 13 30.407 0.000 . 1 . . . . 111 VAL CB . 26564 3 489 . 1 1 117 117 VAL N N 15 118.187 0.043 . 1 . . . . 111 VAL N . 26564 3 490 . 1 1 119 119 ASN C C 13 179.285 0.000 . 1 . . . . 113 ASN C . 26564 3 491 . 1 1 119 119 ASN CA C 13 55.634 0.026 . 1 . . . . 113 ASN CA . 26564 3 492 . 1 1 119 119 ASN CB C 13 37.372 0.000 . 1 . . . . 113 ASN CB . 26564 3 493 . 1 1 120 120 LYS H H 1 9.112 0.015 . 1 . . . . 114 LYS H . 26564 3 494 . 1 1 120 120 LYS C C 13 178.669 0.020 . 1 . . . . 114 LYS C . 26564 3 495 . 1 1 120 120 LYS CA C 13 57.933 0.018 . 1 . . . . 114 LYS CA . 26564 3 496 . 1 1 120 120 LYS CB C 13 30.992 0.045 . 1 . . . . 114 LYS CB . 26564 3 497 . 1 1 120 120 LYS N N 15 126.375 0.059 . 1 . . . . 114 LYS N . 26564 3 498 . 1 1 121 121 VAL H H 1 7.591 0.009 . 1 . . . . 115 VAL H . 26564 3 499 . 1 1 121 121 VAL C C 13 176.081 0.006 . 1 . . . . 115 VAL C . 26564 3 500 . 1 1 121 121 VAL CA C 13 59.421 0.069 . 1 . . . . 115 VAL CA . 26564 3 501 . 1 1 121 121 VAL CB C 13 29.900 0.022 . 1 . . . . 115 VAL CB . 26564 3 502 . 1 1 121 121 VAL N N 15 106.560 0.115 . 1 . . . . 115 VAL N . 26564 3 503 . 1 1 122 122 GLU H H 1 8.150 0.012 . 1 . . . . 116 GLU H . 26564 3 504 . 1 1 122 122 GLU HA H 1 4.562 0.019 . 1 . . . . 116 GLU HA . 26564 3 505 . 1 1 122 122 GLU C C 13 176.808 0.019 . 1 . . . . 116 GLU C . 26564 3 506 . 1 1 122 122 GLU CA C 13 56.750 0.014 . 1 . . . . 116 GLU CA . 26564 3 507 . 1 1 122 122 GLU CB C 13 26.960 0.012 . 1 . . . . 116 GLU CB . 26564 3 508 . 1 1 122 122 GLU N N 15 121.599 0.078 . 1 . . . . 116 GLU N . 26564 3 509 . 1 1 123 123 GLY H H 1 8.715 0.013 . 1 . . . . 117 GLY H . 26564 3 510 . 1 1 123 123 GLY HA3 H 1 3.956 0.015 . 1 . . . . 117 GLY HA3 . 26564 3 511 . 1 1 123 123 GLY C C 13 172.899 0.016 . 1 . . . . 117 GLY C . 26564 3 512 . 1 1 123 123 GLY CA C 13 45.813 0.005 . 1 . . . . 117 GLY CA . 26564 3 513 . 1 1 123 123 GLY N N 15 103.025 0.060 . 1 . . . . 117 GLY N . 26564 3 514 . 1 1 124 124 ASN H H 1 7.543 0.008 . 1 . . . . 118 ASN H . 26564 3 515 . 1 1 124 124 ASN CA C 13 52.254 0.000 . 1 . . . . 118 ASN CA . 26564 3 516 . 1 1 124 124 ASN CB C 13 38.732 0.000 . 1 . . . . 118 ASN CB . 26564 3 517 . 1 1 124 124 ASN N N 15 119.620 0.053 . 1 . . . . 118 ASN N . 26564 3 518 . 1 1 125 125 PHE C C 13 177.517 0.040 . 1 . . . . 119 PHE C . 26564 3 519 . 1 1 125 125 PHE CA C 13 62.791 0.001 . 1 . . . . 119 PHE CA . 26564 3 520 . 1 1 126 126 GLU H H 1 8.131 0.006 . 1 . . . . 120 GLU H . 26564 3 521 . 1 1 126 126 GLU C C 13 180.150 0.003 . 1 . . . . 120 GLU C . 26564 3 522 . 1 1 126 126 GLU CA C 13 59.176 0.024 . 1 . . . . 120 GLU CA . 26564 3 523 . 1 1 126 126 GLU CB C 13 27.695 0.017 . 1 . . . . 120 GLU CB . 26564 3 524 . 1 1 126 126 GLU N N 15 116.305 0.067 . 1 . . . . 120 GLU N . 26564 3 525 . 1 1 127 127 ASN H H 1 7.938 0.007 . 1 . . . . 121 ASN H . 26564 3 526 . 1 1 127 127 ASN C C 13 178.978 0.011 . 1 . . . . 121 ASN C . 26564 3 527 . 1 1 127 127 ASN CA C 13 54.616 0.047 . 1 . . . . 121 ASN CA . 26564 3 528 . 1 1 127 127 ASN CB C 13 36.877 0.019 . 1 . . . . 121 ASN CB . 26564 3 529 . 1 1 127 127 ASN N N 15 118.840 0.092 . 1 . . . . 121 ASN N . 26564 3 530 . 1 1 128 128 GLY H H 1 8.235 0.008 . 1 . . . . 122 GLY H . 26564 3 531 . 1 1 128 128 GLY HA3 H 1 3.670 0.001 . 1 . . . . 122 GLY HA3 . 26564 3 532 . 1 1 128 128 GLY C C 13 173.519 0.013 . 1 . . . . 122 GLY C . 26564 3 533 . 1 1 128 128 GLY CA C 13 47.039 0.013 . 1 . . . . 122 GLY CA . 26564 3 534 . 1 1 128 128 GLY N N 15 111.095 0.075 . 1 . . . . 122 GLY N . 26564 3 535 . 1 1 129 129 ILE H H 1 7.751 0.004 . 1 . . . . 123 ILE H . 26564 3 536 . 1 1 129 129 ILE C C 13 177.629 0.008 . 1 . . . . 123 ILE C . 26564 3 537 . 1 1 129 129 ILE CA C 13 65.622 0.041 . 1 . . . . 123 ILE CA . 26564 3 538 . 1 1 129 129 ILE CB C 13 37.238 0.015 . 1 . . . . 123 ILE CB . 26564 3 539 . 1 1 129 129 ILE N N 15 122.009 0.092 . 1 . . . . 123 ILE N . 26564 3 540 . 1 1 130 130 GLU H H 1 7.359 0.011 . 1 . . . . 124 GLU H . 26564 3 541 . 1 1 130 130 GLU C C 13 179.138 0.070 . 1 . . . . 124 GLU C . 26564 3 542 . 1 1 130 130 GLU CA C 13 58.549 0.048 . 1 . . . . 124 GLU CA . 26564 3 543 . 1 1 130 130 GLU CB C 13 28.231 0.056 . 1 . . . . 124 GLU CB . 26564 3 544 . 1 1 130 130 GLU N N 15 117.917 0.067 . 1 . . . . 124 GLU N . 26564 3 545 . 1 1 131 131 LEU H H 1 7.989 0.009 . 1 . . . . 125 LEU H . 26564 3 546 . 1 1 131 131 LEU C C 13 177.810 0.018 . 1 . . . . 125 LEU C . 26564 3 547 . 1 1 131 131 LEU CA C 13 57.233 0.017 . 1 . . . . 125 LEU CA . 26564 3 548 . 1 1 131 131 LEU CB C 13 40.329 0.006 . 1 . . . . 125 LEU CB . 26564 3 549 . 1 1 131 131 LEU N N 15 121.225 0.088 . 1 . . . . 125 LEU N . 26564 3 550 . 1 1 132 132 ALA H H 1 7.971 0.006 . 1 . . . . 126 ALA H . 26564 3 551 . 1 1 132 132 ALA C C 13 178.836 0.015 . 1 . . . . 126 ALA C . 26564 3 552 . 1 1 132 132 ALA CA C 13 55.227 0.025 . 1 . . . . 126 ALA CA . 26564 3 553 . 1 1 132 132 ALA CB C 13 18.001 0.049 . 1 . . . . 126 ALA CB . 26564 3 554 . 1 1 132 132 ALA N N 15 121.677 0.073 . 1 . . . . 126 ALA N . 26564 3 555 . 1 1 133 133 ARG H H 1 7.893 0.007 . 1 . . . . 127 ARG H . 26564 3 556 . 1 1 133 133 ARG C C 13 179.220 0.012 . 1 . . . . 127 ARG C . 26564 3 557 . 1 1 133 133 ARG CA C 13 59.753 0.059 . 1 . . . . 127 ARG CA . 26564 3 558 . 1 1 133 133 ARG CB C 13 29.300 0.001 . 1 . . . . 127 ARG CB . 26564 3 559 . 1 1 133 133 ARG N N 15 116.280 0.054 . 1 . . . . 127 ARG N . 26564 3 560 . 1 1 134 134 LYS H H 1 8.000 0.004 . 1 . . . . 128 LYS H . 26564 3 561 . 1 1 134 134 LYS C C 13 179.330 0.000 . 1 . . . . 128 LYS C . 26564 3 562 . 1 1 134 134 LYS CA C 13 59.102 0.066 . 1 . . . . 128 LYS CA . 26564 3 563 . 1 1 134 134 LYS CB C 13 31.421 0.063 . 1 . . . . 128 LYS CB . 26564 3 564 . 1 1 134 134 LYS N N 15 121.524 0.077 . 1 . . . . 128 LYS N . 26564 3 565 . 1 1 135 135 ILE H H 1 8.601 0.004 . 1 . . . . 129 ILE H . 26564 3 566 . 1 1 135 135 ILE C C 13 177.358 0.016 . 1 . . . . 129 ILE C . 26564 3 567 . 1 1 135 135 ILE CA C 13 65.482 0.054 . 1 . . . . 129 ILE CA . 26564 3 568 . 1 1 135 135 ILE CB C 13 37.171 0.007 . 1 . . . . 129 ILE CB . 26564 3 569 . 1 1 135 135 ILE N N 15 121.266 0.042 . 1 . . . . 129 ILE N . 26564 3 570 . 1 1 136 136 LYS H H 1 7.742 0.011 . 1 . . . . 130 LYS H . 26564 3 571 . 1 1 136 136 LYS C C 13 179.247 0.011 . 1 . . . . 130 LYS C . 26564 3 572 . 1 1 136 136 LYS CA C 13 59.951 0.055 . 1 . . . . 130 LYS CA . 26564 3 573 . 1 1 136 136 LYS CB C 13 31.376 0.005 . 1 . . . . 130 LYS CB . 26564 3 574 . 1 1 136 136 LYS N N 15 118.115 0.059 . 1 . . . . 130 LYS N . 26564 3 575 . 1 1 137 137 GLN H H 1 7.859 0.010 . 1 . . . . 131 GLN H . 26564 3 576 . 1 1 137 137 GLN C C 13 177.457 0.010 . 1 . . . . 131 GLN C . 26564 3 577 . 1 1 137 137 GLN CA C 13 58.351 0.021 . 1 . . . . 131 GLN CA . 26564 3 578 . 1 1 137 137 GLN CB C 13 27.363 0.048 . 1 . . . . 131 GLN CB . 26564 3 579 . 1 1 137 137 GLN N N 15 118.959 0.050 . 1 . . . . 131 GLN N . 26564 3 580 . 1 1 138 138 GLU H H 1 8.588 0.009 . 1 . . . . 132 GLU H . 26564 3 581 . 1 1 138 138 GLU C C 13 178.858 0.019 . 1 . . . . 132 GLU C . 26564 3 582 . 1 1 138 138 GLU CA C 13 59.360 0.006 . 1 . . . . 132 GLU CA . 26564 3 583 . 1 1 138 138 GLU CB C 13 29.057 0.026 . 1 . . . . 132 GLU CB . 26564 3 584 . 1 1 138 138 GLU N N 15 121.622 0.073 . 1 . . . . 132 GLU N . 26564 3 585 . 1 1 139 139 ILE H H 1 8.118 0.007 . 1 . . . . 133 ILE H . 26564 3 586 . 1 1 139 139 ILE C C 13 178.291 0.010 . 1 . . . . 133 ILE C . 26564 3 587 . 1 1 139 139 ILE CA C 13 65.706 0.044 . 1 . . . . 133 ILE CA . 26564 3 588 . 1 1 139 139 ILE CB C 13 37.460 0.053 . 1 . . . . 133 ILE CB . 26564 3 589 . 1 1 139 139 ILE N N 15 117.766 0.105 . 1 . . . . 133 ILE N . 26564 3 590 . 1 1 140 140 LEU H H 1 7.454 0.011 . 1 . . . . 134 LEU H . 26564 3 591 . 1 1 140 140 LEU C C 13 180.109 0.020 . 1 . . . . 134 LEU C . 26564 3 592 . 1 1 140 140 LEU CA C 13 57.867 0.051 . 1 . . . . 134 LEU CA . 26564 3 593 . 1 1 140 140 LEU CB C 13 41.158 0.000 . 1 . . . . 134 LEU CB . 26564 3 594 . 1 1 140 140 LEU N N 15 120.901 0.052 . 1 . . . . 134 LEU N . 26564 3 595 . 1 1 141 141 GLU H H 1 8.603 0.008 . 1 . . . . 135 GLU H . 26564 3 596 . 1 1 141 141 GLU C C 13 178.722 0.007 . 1 . . . . 135 GLU C . 26564 3 597 . 1 1 141 141 GLU CA C 13 59.042 0.021 . 1 . . . . 135 GLU CA . 26564 3 598 . 1 1 141 141 GLU CB C 13 29.479 0.022 . 1 . . . . 135 GLU CB . 26564 3 599 . 1 1 141 141 GLU N N 15 118.932 0.047 . 1 . . . . 135 GLU N . 26564 3 600 . 1 1 142 142 LYS H H 1 8.549 0.006 . 1 . . . . 136 LYS H . 26564 3 601 . 1 1 142 142 LYS C C 13 178.420 0.009 . 1 . . . . 136 LYS C . 26564 3 602 . 1 1 142 142 LYS CA C 13 58.316 0.045 . 1 . . . . 136 LYS CA . 26564 3 603 . 1 1 142 142 LYS CB C 13 32.800 0.058 . 1 . . . . 136 LYS CB . 26564 3 604 . 1 1 142 142 LYS N N 15 115.293 0.045 . 1 . . . . 136 LYS N . 26564 3 605 . 1 1 143 143 GLU H H 1 8.029 0.013 . 1 . . . . 137 GLU H . 26564 3 606 . 1 1 143 143 GLU C C 13 176.112 0.008 . 1 . . . . 137 GLU C . 26564 3 607 . 1 1 143 143 GLU CA C 13 54.427 0.048 . 1 . . . . 137 GLU CA . 26564 3 608 . 1 1 143 143 GLU CB C 13 30.024 0.000 . 1 . . . . 137 GLU CB . 26564 3 609 . 1 1 143 143 GLU N N 15 114.414 0.059 . 1 . . . . 137 GLU N . 26564 3 610 . 1 1 144 144 LYS H H 1 7.579 0.011 . 1 . . . . 138 LYS H . 26564 3 611 . 1 1 144 144 LYS HA H 1 4.076 0.022 . 1 . . . . 138 LYS HA . 26564 3 612 . 1 1 144 144 LYS C C 13 174.530 0.000 . 1 . . . . 138 LYS C . 26564 3 613 . 1 1 144 144 LYS CA C 13 57.282 0.021 . 1 . . . . 138 LYS CA . 26564 3 614 . 1 1 144 144 LYS CB C 13 27.902 0.032 . 1 . . . . 138 LYS CB . 26564 3 615 . 1 1 144 144 LYS N N 15 111.682 0.077 . 1 . . . . 138 LYS N . 26564 3 616 . 1 1 145 145 ILE H H 1 6.573 0.007 . 1 . . . . 139 ILE H . 26564 3 617 . 1 1 145 145 ILE HA H 1 4.614 0.000 . 1 . . . . 139 ILE HA . 26564 3 618 . 1 1 145 145 ILE C C 13 175.466 0.012 . 1 . . . . 139 ILE C . 26564 3 619 . 1 1 145 145 ILE CA C 13 57.010 0.052 . 1 . . . . 139 ILE CA . 26564 3 620 . 1 1 145 145 ILE CB C 13 40.001 0.008 . 1 . . . . 139 ILE CB . 26564 3 621 . 1 1 145 145 ILE N N 15 114.498 0.055 . 1 . . . . 139 ILE N . 26564 3 622 . 1 1 146 146 THR H H 1 10.036 0.006 . 1 . . . . 140 THR H . 26564 3 623 . 1 1 146 146 THR HA H 1 4.302 0.005 . 1 . . . . 140 THR HA . 26564 3 624 . 1 1 146 146 THR C C 13 174.103 0.001 . 1 . . . . 140 THR C . 26564 3 625 . 1 1 146 146 THR CA C 13 61.311 0.007 . 1 . . . . 140 THR CA . 26564 3 626 . 1 1 146 146 THR CB C 13 69.366 0.001 . 1 . . . . 140 THR CB . 26564 3 627 . 1 1 146 146 THR N N 15 118.434 0.056 . 1 . . . . 140 THR N . 26564 3 628 . 1 1 147 147 VAL H H 1 7.329 0.005 . 1 . . . . 141 VAL H . 26564 3 629 . 1 1 147 147 VAL HA H 1 4.862 0.000 . 1 . . . . 141 VAL HA . 26564 3 630 . 1 1 147 147 VAL HG11 H 1 1.170 0.000 . 2 . . . . 141 VAL HG11 . 26564 3 631 . 1 1 147 147 VAL HG12 H 1 1.170 0.000 . 2 . . . . 141 VAL HG12 . 26564 3 632 . 1 1 147 147 VAL HG13 H 1 1.170 0.000 . 2 . . . . 141 VAL HG13 . 26564 3 633 . 1 1 147 147 VAL HG21 H 1 0.712 0.000 . 2 . . . . 141 VAL HG21 . 26564 3 634 . 1 1 147 147 VAL HG22 H 1 0.712 0.000 . 2 . . . . 141 VAL HG22 . 26564 3 635 . 1 1 147 147 VAL HG23 H 1 0.712 0.000 . 2 . . . . 141 VAL HG23 . 26564 3 636 . 1 1 147 147 VAL C C 13 174.044 0.002 . 1 . . . . 141 VAL C . 26564 3 637 . 1 1 147 147 VAL CA C 13 57.899 0.002 . 1 . . . . 141 VAL CA . 26564 3 638 . 1 1 147 147 VAL CB C 13 33.402 0.028 . 1 . . . . 141 VAL CB . 26564 3 639 . 1 1 147 147 VAL N N 15 112.837 0.121 . 1 . . . . 141 VAL N . 26564 3 640 . 1 1 148 148 THR H H 1 8.978 0.016 . 1 . . . . 142 THR H . 26564 3 641 . 1 1 148 148 THR C C 13 173.330 0.021 . 1 . . . . 142 THR C . 26564 3 642 . 1 1 148 148 THR CA C 13 62.322 0.014 . 1 . . . . 142 THR CA . 26564 3 643 . 1 1 148 148 THR CB C 13 69.359 0.010 . 1 . . . . 142 THR CB . 26564 3 644 . 1 1 148 148 THR N N 15 119.191 0.069 . 1 . . . . 142 THR N . 26564 3 645 . 1 1 149 149 VAL H H 1 7.828 0.010 . 1 . . . . 143 VAL H . 26564 3 646 . 1 1 149 149 VAL HA H 1 5.630 0.000 . 1 . . . . 143 VAL HA . 26564 3 647 . 1 1 149 149 VAL C C 13 174.886 0.038 . 1 . . . . 143 VAL C . 26564 3 648 . 1 1 149 149 VAL CA C 13 57.795 0.046 . 1 . . . . 143 VAL CA . 26564 3 649 . 1 1 149 149 VAL CB C 13 34.380 0.000 . 1 . . . . 143 VAL CB . 26564 3 650 . 1 1 149 149 VAL N N 15 121.334 0.057 . 1 . . . . 143 VAL N . 26564 3 651 . 1 1 150 150 GLY H H 1 9.295 0.012 . 1 . . . . 144 GLY H . 26564 3 652 . 1 1 150 150 GLY HA3 H 1 3.927 0.014 . 2 . . . . 144 GLY HA3 . 26564 3 653 . 1 1 150 150 GLY C C 13 172.104 0.024 . 1 . . . . 144 GLY C . 26564 3 654 . 1 1 150 150 GLY CA C 13 43.492 0.021 . 1 . . . . 144 GLY CA . 26564 3 655 . 1 1 150 150 GLY N N 15 111.978 0.100 . 1 . . . . 144 GLY N . 26564 3 656 . 1 1 151 151 VAL H H 1 8.748 0.007 . 1 . . . . 145 VAL H . 26564 3 657 . 1 1 151 151 VAL HG21 H 1 0.913 0.000 . 1 . . . . 145 VAL HG21 . 26564 3 658 . 1 1 151 151 VAL HG22 H 1 0.913 0.000 . 1 . . . . 145 VAL HG22 . 26564 3 659 . 1 1 151 151 VAL HG23 H 1 0.913 0.000 . 1 . . . . 145 VAL HG23 . 26564 3 660 . 1 1 151 151 VAL C C 13 174.531 0.016 . 1 . . . . 145 VAL C . 26564 3 661 . 1 1 151 151 VAL CA C 13 60.195 0.002 . 1 . . . . 145 VAL CA . 26564 3 662 . 1 1 151 151 VAL CB C 13 32.764 0.000 . 1 . . . . 145 VAL CB . 26564 3 663 . 1 1 151 151 VAL N N 15 124.608 0.052 . 1 . . . . 145 VAL N . 26564 3 664 . 1 1 152 152 ALA H H 1 9.186 0.014 . 1 . . . . 146 ALA H . 26564 3 665 . 1 1 152 152 ALA CA C 13 50.584 0.000 . 1 . . . . 146 ALA CA . 26564 3 666 . 1 1 152 152 ALA CB C 13 21.417 0.000 . 1 . . . . 146 ALA CB . 26564 3 667 . 1 1 152 152 ALA N N 15 126.307 0.060 . 1 . . . . 146 ALA N . 26564 3 668 . 1 1 154 154 ASN C C 13 173.477 0.000 . 1 . . . . 148 ASN C . 26564 3 669 . 1 1 154 154 ASN CA C 13 54.223 0.065 . 1 . . . . 148 ASN CA . 26564 3 670 . 1 1 154 154 ASN CB C 13 37.569 0.000 . 1 . . . . 148 ASN CB . 26564 3 671 . 1 1 155 155 LYS H H 1 8.068 0.011 . 1 . . . . 149 LYS H . 26564 3 672 . 1 1 155 155 LYS C C 13 177.101 0.006 . 1 . . . . 149 LYS C . 26564 3 673 . 1 1 155 155 LYS CA C 13 60.301 0.094 . 1 . . . . 149 LYS CA . 26564 3 674 . 1 1 155 155 LYS CB C 13 36.151 0.000 . 1 . . . . 149 LYS CB . 26564 3 675 . 1 1 155 155 LYS N N 15 119.541 0.122 . 1 . . . . 149 LYS N . 26564 3 676 . 1 1 156 156 ILE H H 1 7.421 0.005 . 1 . . . . 150 ILE H . 26564 3 677 . 1 1 156 156 ILE C C 13 177.771 0.028 . 1 . . . . 150 ILE C . 26564 3 678 . 1 1 156 156 ILE CA C 13 62.583 0.078 . 1 . . . . 150 ILE CA . 26564 3 679 . 1 1 156 156 ILE CB C 13 36.053 0.000 . 1 . . . . 150 ILE CB . 26564 3 680 . 1 1 156 156 ILE N N 15 118.036 0.082 . 1 . . . . 150 ILE N . 26564 3 681 . 1 1 157 157 LEU H H 1 8.015 0.015 . 1 . . . . 151 LEU H . 26564 3 682 . 1 1 157 157 LEU C C 13 177.427 0.040 . 1 . . . . 151 LEU C . 26564 3 683 . 1 1 157 157 LEU CA C 13 56.852 0.071 . 1 . . . . 151 LEU CA . 26564 3 684 . 1 1 157 157 LEU CB C 13 41.146 0.000 . 1 . . . . 151 LEU CB . 26564 3 685 . 1 1 157 157 LEU N N 15 117.572 0.065 . 1 . . . . 151 LEU N . 26564 3 686 . 1 1 158 158 ALA H H 1 7.557 0.007 . 1 . . . . 152 ALA H . 26564 3 687 . 1 1 158 158 ALA C C 13 177.901 0.005 . 1 . . . . 152 ALA C . 26564 3 688 . 1 1 158 158 ALA CA C 13 55.067 0.017 . 1 . . . . 152 ALA CA . 26564 3 689 . 1 1 158 158 ALA CB C 13 17.551 0.035 . 1 . . . . 152 ALA CB . 26564 3 690 . 1 1 158 158 ALA N N 15 120.819 0.060 . 1 . . . . 152 ALA N . 26564 3 691 . 1 1 159 159 LYS H H 1 7.291 0.004 . 1 . . . . 153 LYS H . 26564 3 692 . 1 1 159 159 LYS C C 13 179.033 0.000 . 1 . . . . 153 LYS C . 26564 3 693 . 1 1 159 159 LYS CA C 13 58.385 0.077 . 1 . . . . 153 LYS CA . 26564 3 694 . 1 1 159 159 LYS CB C 13 31.456 0.000 . 1 . . . . 153 LYS CB . 26564 3 695 . 1 1 159 159 LYS N N 15 117.863 0.058 . 1 . . . . 153 LYS N . 26564 3 696 . 1 1 160 160 ILE H H 1 7.939 0.006 . 1 . . . . 154 ILE H . 26564 3 697 . 1 1 160 160 ILE C C 13 178.692 0.015 . 1 . . . . 154 ILE C . 26564 3 698 . 1 1 160 160 ILE CA C 13 65.251 0.022 . 1 . . . . 154 ILE CA . 26564 3 699 . 1 1 160 160 ILE CB C 13 37.842 0.063 . 1 . . . . 154 ILE CB . 26564 3 700 . 1 1 160 160 ILE N N 15 117.780 0.053 . 1 . . . . 154 ILE N . 26564 3 701 . 1 1 161 161 ILE H H 1 8.363 0.014 . 1 . . . . 155 ILE H . 26564 3 702 . 1 1 161 161 ILE C C 13 178.144 0.033 . 1 . . . . 155 ILE C . 26564 3 703 . 1 1 161 161 ILE CA C 13 59.750 0.013 . 1 . . . . 155 ILE CA . 26564 3 704 . 1 1 161 161 ILE CB C 13 37.116 0.000 . 1 . . . . 155 ILE CB . 26564 3 705 . 1 1 161 161 ILE N N 15 117.385 0.085 . 1 . . . . 155 ILE N . 26564 3 706 . 1 1 162 162 ALA H H 1 7.749 0.011 . 1 . . . . 156 ALA H . 26564 3 707 . 1 1 162 162 ALA C C 13 179.627 0.020 . 1 . . . . 156 ALA C . 26564 3 708 . 1 1 162 162 ALA CA C 13 55.342 0.006 . 1 . . . . 156 ALA CA . 26564 3 709 . 1 1 162 162 ALA CB C 13 18.263 0.013 . 1 . . . . 156 ALA CB . 26564 3 710 . 1 1 162 162 ALA N N 15 128.270 0.077 . 1 . . . . 156 ALA N . 26564 3 711 . 1 1 163 163 ASP H H 1 8.434 0.013 . 1 . . . . 157 ASP H . 26564 3 712 . 1 1 163 163 ASP C C 13 179.391 0.022 . 1 . . . . 157 ASP C . 26564 3 713 . 1 1 163 163 ASP CA C 13 57.712 0.073 . 1 . . . . 157 ASP CA . 26564 3 714 . 1 1 163 163 ASP CB C 13 39.984 0.053 . 1 . . . . 157 ASP CB . 26564 3 715 . 1 1 163 163 ASP N N 15 119.870 0.083 . 1 . . . . 157 ASP N . 26564 3 716 . 1 1 164 164 LYS H H 1 7.721 0.010 . 1 . . . . 158 LYS H . 26564 3 717 . 1 1 164 164 LYS C C 13 177.702 0.017 . 1 . . . . 158 LYS C . 26564 3 718 . 1 1 164 164 LYS CA C 13 57.378 0.028 . 1 . . . . 158 LYS CA . 26564 3 719 . 1 1 164 164 LYS CB C 13 32.523 0.000 . 1 . . . . 158 LYS CB . 26564 3 720 . 1 1 164 164 LYS N N 15 115.574 0.050 . 1 . . . . 158 LYS N . 26564 3 721 . 1 1 165 165 SER H H 1 7.808 0.009 . 1 . . . . 159 SER H . 26564 3 722 . 1 1 165 165 SER C C 13 172.692 0.018 . 1 . . . . 159 SER C . 26564 3 723 . 1 1 165 165 SER CA C 13 58.274 0.014 . 1 . . . . 159 SER CA . 26564 3 724 . 1 1 165 165 SER CB C 13 63.784 0.000 . 1 . . . . 159 SER CB . 26564 3 725 . 1 1 165 165 SER N N 15 113.952 0.066 . 1 . . . . 159 SER N . 26564 3 726 . 1 1 166 166 LYS H H 1 7.038 0.006 . 1 . . . . 160 LYS H . 26564 3 727 . 1 1 166 166 LYS C C 13 174.977 0.000 . 1 . . . . 160 LYS C . 26564 3 728 . 1 1 166 166 LYS CA C 13 54.626 0.000 . 1 . . . . 160 LYS CA . 26564 3 729 . 1 1 166 166 LYS CB C 13 32.456 0.000 . 1 . . . . 160 LYS CB . 26564 3 730 . 1 1 166 166 LYS N N 15 120.896 0.044 . 1 . . . . 160 LYS N . 26564 3 731 . 1 1 167 167 PRO C C 13 174.904 0.004 . 1 . . . . 161 PRO C . 26564 3 732 . 1 1 167 167 PRO CA C 13 61.785 0.045 . 1 . . . . 161 PRO CA . 26564 3 733 . 1 1 167 167 PRO CB C 13 33.506 0.000 . 1 . . . . 161 PRO CB . 26564 3 734 . 1 1 168 168 ASN H H 1 9.886 0.020 . 1 . . . . 162 ASN H . 26564 3 735 . 1 1 168 168 ASN HA H 1 4.540 0.017 . 1 . . . . 162 ASN HA . 26564 3 736 . 1 1 168 168 ASN C C 13 176.945 0.000 . 1 . . . . 162 ASN C . 26564 3 737 . 1 1 168 168 ASN CA C 13 52.349 0.011 . 1 . . . . 162 ASN CA . 26564 3 738 . 1 1 168 168 ASN CB C 13 36.954 0.018 . 1 . . . . 162 ASN CB . 26564 3 739 . 1 1 168 168 ASN N N 15 119.662 0.084 . 1 . . . . 162 ASN N . 26564 3 740 . 1 1 169 169 GLY H H 1 8.221 0.014 . 1 . . . . 163 GLY H . 26564 3 741 . 1 1 169 169 GLY HA2 H 1 3.993 0.000 . 2 . . . . 163 GLY HA2 . 26564 3 742 . 1 1 169 169 GLY HA3 H 1 4.267 0.015 . 2 . . . . 163 GLY HA3 . 26564 3 743 . 1 1 169 169 GLY C C 13 174.119 0.008 . 1 . . . . 163 GLY C . 26564 3 744 . 1 1 169 169 GLY CA C 13 44.645 0.020 . 1 . . . . 163 GLY CA . 26564 3 745 . 1 1 169 169 GLY N N 15 106.055 0.079 . 1 . . . . 163 GLY N . 26564 3 746 . 1 1 170 170 LEU H H 1 8.403 0.012 . 1 . . . . 164 LEU H . 26564 3 747 . 1 1 170 170 LEU HA H 1 5.076 0.000 . 1 . . . . 164 LEU HA . 26564 3 748 . 1 1 170 170 LEU C C 13 174.799 0.004 . 1 . . . . 164 LEU C . 26564 3 749 . 1 1 170 170 LEU CA C 13 55.295 0.058 . 1 . . . . 164 LEU CA . 26564 3 750 . 1 1 170 170 LEU CB C 13 42.279 0.060 . 1 . . . . 164 LEU CB . 26564 3 751 . 1 1 170 170 LEU N N 15 123.693 0.137 . 1 . . . . 164 LEU N . 26564 3 752 . 1 1 171 171 GLY H H 1 9.264 0.010 . 1 . . . . 165 GLY H . 26564 3 753 . 1 1 171 171 GLY HA2 H 1 3.972 0.000 . 2 . . . . 165 GLY HA2 . 26564 3 754 . 1 1 171 171 GLY HA3 H 1 4.618 0.000 . 2 . . . . 165 GLY HA3 . 26564 3 755 . 1 1 171 171 GLY C C 13 171.663 0.007 . 1 . . . . 165 GLY C . 26564 3 756 . 1 1 171 171 GLY CA C 13 45.008 0.033 . 1 . . . . 165 GLY CA . 26564 3 757 . 1 1 171 171 GLY N N 15 114.909 0.077 . 1 . . . . 165 GLY N . 26564 3 758 . 1 1 172 172 VAL H H 1 8.392 0.005 . 1 . . . . 166 VAL H . 26564 3 759 . 1 1 172 172 VAL C C 13 175.157 0.008 . 1 . . . . 166 VAL C . 26564 3 760 . 1 1 172 172 VAL CA C 13 60.118 0.005 . 1 . . . . 166 VAL CA . 26564 3 761 . 1 1 172 172 VAL CB C 13 35.649 0.015 . 1 . . . . 166 VAL CB . 26564 3 762 . 1 1 172 172 VAL N N 15 122.477 0.054 . 1 . . . . 166 VAL N . 26564 3 763 . 1 1 173 173 ILE H H 1 8.573 0.006 . 1 . . . . 167 ILE H . 26564 3 764 . 1 1 173 173 ILE C C 13 173.993 0.032 . 1 . . . . 167 ILE C . 26564 3 765 . 1 1 173 173 ILE CA C 13 59.819 0.069 . 1 . . . . 167 ILE CA . 26564 3 766 . 1 1 173 173 ILE CB C 13 39.382 0.012 . 1 . . . . 167 ILE CB . 26564 3 767 . 1 1 173 173 ILE N N 15 126.921 0.041 . 1 . . . . 167 ILE N . 26564 3 768 . 1 1 174 174 ARG H H 1 8.453 0.017 . 1 . . . . 168 ARG H . 26564 3 769 . 1 1 174 174 ARG C C 13 176.646 0.000 . 1 . . . . 168 ARG C . 26564 3 770 . 1 1 174 174 ARG CA C 13 54.170 0.000 . 1 . . . . 168 ARG CA . 26564 3 771 . 1 1 174 174 ARG CB C 13 28.226 0.000 . 1 . . . . 168 ARG CB . 26564 3 772 . 1 1 174 174 ARG N N 15 123.356 0.052 . 1 . . . . 168 ARG N . 26564 3 773 . 1 1 176 176 THR C C 13 175.390 0.000 . 1 . . . . 170 THR C . 26564 3 774 . 1 1 176 176 THR CA C 13 62.511 0.022 . 1 . . . . 170 THR CA . 26564 3 775 . 1 1 176 176 THR CB C 13 68.151 0.000 . 1 . . . . 170 THR CB . 26564 3 776 . 1 1 177 177 GLU H H 1 7.797 0.004 . 1 . . . . 171 GLU H . 26564 3 777 . 1 1 177 177 GLU C C 13 176.994 0.009 . 1 . . . . 171 GLU C . 26564 3 778 . 1 1 177 177 GLU CA C 13 55.599 0.030 . 1 . . . . 171 GLU CA . 26564 3 779 . 1 1 177 177 GLU CB C 13 30.522 0.009 . 1 . . . . 171 GLU CB . 26564 3 780 . 1 1 177 177 GLU N N 15 120.075 0.062 . 1 . . . . 171 GLU N . 26564 3 781 . 1 1 178 178 VAL H H 1 6.932 0.005 . 1 . . . . 172 VAL H . 26564 3 782 . 1 1 178 178 VAL C C 13 176.547 0.013 . 1 . . . . 172 VAL C . 26564 3 783 . 1 1 178 178 VAL CA C 13 67.017 0.017 . 1 . . . . 172 VAL CA . 26564 3 784 . 1 1 178 178 VAL CB C 13 31.480 0.000 . 1 . . . . 172 VAL CB . 26564 3 785 . 1 1 178 178 VAL N N 15 119.223 0.059 . 1 . . . . 172 VAL N . 26564 3 786 . 1 1 179 179 GLN H H 1 8.482 0.004 . 1 . . . . 173 GLN H . 26564 3 787 . 1 1 179 179 GLN C C 13 178.064 0.028 . 1 . . . . 173 GLN C . 26564 3 788 . 1 1 179 179 GLN CA C 13 59.135 0.036 . 1 . . . . 173 GLN CA . 26564 3 789 . 1 1 179 179 GLN CB C 13 27.475 0.012 . 1 . . . . 173 GLN CB . 26564 3 790 . 1 1 179 179 GLN N N 15 118.609 0.050 . 1 . . . . 173 GLN N . 26564 3 791 . 1 1 180 180 ASP H H 1 8.121 0.010 . 1 . . . . 174 ASP H . 26564 3 792 . 1 1 180 180 ASP C C 13 178.150 0.034 . 1 . . . . 174 ASP C . 26564 3 793 . 1 1 180 180 ASP CA C 13 57.003 0.035 . 1 . . . . 174 ASP CA . 26564 3 794 . 1 1 180 180 ASP CB C 13 40.045 0.006 . 1 . . . . 174 ASP CB . 26564 3 795 . 1 1 180 180 ASP N N 15 118.365 0.048 . 1 . . . . 174 ASP N . 26564 3 796 . 1 1 181 181 PHE H H 1 7.944 0.012 . 1 . . . . 175 PHE H . 26564 3 797 . 1 1 181 181 PHE C C 13 178.556 0.051 . 1 . . . . 175 PHE C . 26564 3 798 . 1 1 181 181 PHE CA C 13 61.225 0.063 . 1 . . . . 175 PHE CA . 26564 3 799 . 1 1 181 181 PHE CB C 13 39.405 0.039 . 1 . . . . 175 PHE CB . 26564 3 800 . 1 1 181 181 PHE N N 15 120.465 0.059 . 1 . . . . 175 PHE N . 26564 3 801 . 1 1 182 182 LEU H H 1 8.720 0.011 . 1 . . . . 176 LEU H . 26564 3 802 . 1 1 182 182 LEU C C 13 178.940 0.042 . 1 . . . . 176 LEU C . 26564 3 803 . 1 1 182 182 LEU CA C 13 57.246 0.022 . 1 . . . . 176 LEU CA . 26564 3 804 . 1 1 182 182 LEU CB C 13 41.086 0.011 . 1 . . . . 176 LEU CB . 26564 3 805 . 1 1 182 182 LEU N N 15 118.440 0.105 . 1 . . . . 176 LEU N . 26564 3 806 . 1 1 183 183 ASN H H 1 7.878 0.008 . 1 . . . . 177 ASN H . 26564 3 807 . 1 1 183 183 ASN C C 13 175.918 0.020 . 1 . . . . 177 ASN C . 26564 3 808 . 1 1 183 183 ASN CA C 13 54.924 0.014 . 1 . . . . 177 ASN CA . 26564 3 809 . 1 1 183 183 ASN CB C 13 38.398 0.012 . 1 . . . . 177 ASN CB . 26564 3 810 . 1 1 183 183 ASN N N 15 114.661 0.078 . 1 . . . . 177 ASN N . 26564 3 811 . 1 1 184 184 GLU H H 1 7.049 0.003 . 1 . . . . 178 GLU H . 26564 3 812 . 1 1 184 184 GLU C C 13 176.603 0.003 . 1 . . . . 178 GLU C . 26564 3 813 . 1 1 184 184 GLU CA C 13 54.879 0.031 . 1 . . . . 178 GLU CA . 26564 3 814 . 1 1 184 184 GLU CB C 13 30.038 0.052 . 1 . . . . 178 GLU CB . 26564 3 815 . 1 1 184 184 GLU N N 15 114.746 0.053 . 1 . . . . 178 GLU N . 26564 3 816 . 1 1 185 185 LEU H H 1 7.037 0.007 . 1 . . . . 179 LEU H . 26564 3 817 . 1 1 185 185 LEU C C 13 176.955 0.023 . 1 . . . . 179 LEU C . 26564 3 818 . 1 1 185 185 LEU CA C 13 55.330 0.031 . 1 . . . . 179 LEU CA . 26564 3 819 . 1 1 185 185 LEU CB C 13 41.909 0.013 . 1 . . . . 179 LEU CB . 26564 3 820 . 1 1 185 185 LEU N N 15 122.379 0.087 . 1 . . . . 179 LEU N . 26564 3 821 . 1 1 186 186 ASP H H 1 9.017 0.012 . 1 . . . . 180 ASP H . 26564 3 822 . 1 1 186 186 ASP C C 13 178.149 0.009 . 1 . . . . 180 ASP C . 26564 3 823 . 1 1 186 186 ASP CA C 13 54.227 0.018 . 1 . . . . 180 ASP CA . 26564 3 824 . 1 1 186 186 ASP CB C 13 41.560 0.032 . 1 . . . . 180 ASP CB . 26564 3 825 . 1 1 186 186 ASP N N 15 126.649 0.098 . 1 . . . . 180 ASP N . 26564 3 826 . 1 1 187 187 ILE H H 1 8.181 0.003 . 1 . . . . 181 ILE H . 26564 3 827 . 1 1 187 187 ILE C C 13 175.748 0.003 . 1 . . . . 181 ILE C . 26564 3 828 . 1 1 187 187 ILE CA C 13 61.510 0.042 . 1 . . . . 181 ILE CA . 26564 3 829 . 1 1 187 187 ILE CB C 13 36.952 0.057 . 1 . . . . 181 ILE CB . 26564 3 830 . 1 1 187 187 ILE N N 15 120.540 0.062 . 1 . . . . 181 ILE N . 26564 3 831 . 1 1 188 188 ASP H H 1 8.271 0.009 . 1 . . . . 182 ASP H . 26564 3 832 . 1 1 188 188 ASP C C 13 176.942 0.019 . 1 . . . . 182 ASP C . 26564 3 833 . 1 1 188 188 ASP CA C 13 54.487 0.053 . 1 . . . . 182 ASP CA . 26564 3 834 . 1 1 188 188 ASP CB C 13 39.664 0.005 . 1 . . . . 182 ASP CB . 26564 3 835 . 1 1 188 188 ASP N N 15 114.199 0.079 . 1 . . . . 182 ASP N . 26564 3 836 . 1 1 189 189 GLU H H 1 7.539 0.011 . 1 . . . . 183 GLU H . 26564 3 837 . 1 1 189 189 GLU C C 13 175.924 0.042 . 1 . . . . 183 GLU C . 26564 3 838 . 1 1 189 189 GLU CA C 13 55.717 0.025 . 1 . . . . 183 GLU CA . 26564 3 839 . 1 1 189 189 GLU CB C 13 30.090 0.025 . 1 . . . . 183 GLU CB . 26564 3 840 . 1 1 189 189 GLU N N 15 117.022 0.097 . 1 . . . . 183 GLU N . 26564 3 841 . 1 1 190 190 ILE H H 1 7.252 0.011 . 1 . . . . 184 ILE H . 26564 3 842 . 1 1 190 190 ILE C C 13 174.573 0.000 . 1 . . . . 184 ILE C . 26564 3 843 . 1 1 190 190 ILE CA C 13 57.925 0.000 . 1 . . . . 184 ILE CA . 26564 3 844 . 1 1 190 190 ILE CB C 13 36.578 0.000 . 1 . . . . 184 ILE CB . 26564 3 845 . 1 1 190 190 ILE N N 15 120.233 0.112 . 1 . . . . 184 ILE N . 26564 3 846 . 1 1 192 192 GLY C C 13 173.892 0.007 . 1 . . . . 186 GLY C . 26564 3 847 . 1 1 192 192 GLY CA C 13 44.835 0.013 . 1 . . . . 186 GLY CA . 26564 3 848 . 1 1 193 193 ILE H H 1 7.482 0.007 . 1 . . . . 187 ILE H . 26564 3 849 . 1 1 193 193 ILE C C 13 176.107 0.000 . 1 . . . . 187 ILE C . 26564 3 850 . 1 1 193 193 ILE CA C 13 59.713 0.003 . 1 . . . . 187 ILE CA . 26564 3 851 . 1 1 193 193 ILE CB C 13 34.538 0.058 . 1 . . . . 187 ILE CB . 26564 3 852 . 1 1 193 193 ILE N N 15 120.321 0.049 . 1 . . . . 187 ILE N . 26564 3 853 . 1 1 194 194 GLY H H 1 8.269 0.009 . 1 . . . . 188 GLY H . 26564 3 854 . 1 1 194 194 GLY CA C 13 44.204 0.000 . 1 . . . . 188 GLY CA . 26564 3 855 . 1 1 194 194 GLY N N 15 110.293 0.077 . 1 . . . . 188 GLY N . 26564 3 856 . 1 1 196 196 VAL C C 13 178.536 0.000 . 1 . . . . 190 VAL C . 26564 3 857 . 1 1 196 196 VAL CA C 13 66.094 0.000 . 1 . . . . 190 VAL CA . 26564 3 858 . 1 1 197 197 LEU H H 1 8.073 0.005 . 1 . . . . 191 LEU H . 26564 3 859 . 1 1 197 197 LEU C C 13 178.667 0.028 . 1 . . . . 191 LEU C . 26564 3 860 . 1 1 197 197 LEU CA C 13 56.955 0.036 . 1 . . . . 191 LEU CA . 26564 3 861 . 1 1 197 197 LEU CB C 13 40.189 0.059 . 1 . . . . 191 LEU CB . 26564 3 862 . 1 1 197 197 LEU N N 15 120.961 0.049 . 1 . . . . 191 LEU N . 26564 3 863 . 1 1 198 198 ALA H H 1 8.421 0.006 . 1 . . . . 192 ALA H . 26564 3 864 . 1 1 198 198 ALA C C 13 179.219 0.014 . 1 . . . . 192 ALA C . 26564 3 865 . 1 1 198 198 ALA CA C 13 55.480 0.022 . 1 . . . . 192 ALA CA . 26564 3 866 . 1 1 198 198 ALA CB C 13 17.181 0.007 . 1 . . . . 192 ALA CB . 26564 3 867 . 1 1 198 198 ALA N N 15 120.177 0.048 . 1 . . . . 192 ALA N . 26564 3 868 . 1 1 199 199 ARG H H 1 7.796 0.010 . 1 . . . . 193 ARG H . 26564 3 869 . 1 1 199 199 ARG C C 13 179.209 0.006 . 1 . . . . 193 ARG C . 26564 3 870 . 1 1 199 199 ARG CA C 13 58.726 0.030 . 1 . . . . 193 ARG CA . 26564 3 871 . 1 1 199 199 ARG CB C 13 28.875 0.013 . 1 . . . . 193 ARG CB . 26564 3 872 . 1 1 199 199 ARG N N 15 116.940 0.087 . 1 . . . . 193 ARG N . 26564 3 873 . 1 1 200 200 ARG H H 1 7.706 0.005 . 1 . . . . 194 ARG H . 26564 3 874 . 1 1 200 200 ARG C C 13 179.465 0.002 . 1 . . . . 194 ARG C . 26564 3 875 . 1 1 200 200 ARG CA C 13 58.453 0.030 . 1 . . . . 194 ARG CA . 26564 3 876 . 1 1 200 200 ARG CB C 13 29.161 0.052 . 1 . . . . 194 ARG CB . 26564 3 877 . 1 1 200 200 ARG N N 15 119.330 0.053 . 1 . . . . 194 ARG N . 26564 3 878 . 1 1 201 201 LEU H H 1 8.372 0.007 . 1 . . . . 195 LEU H . 26564 3 879 . 1 1 201 201 LEU C C 13 179.536 0.022 . 1 . . . . 195 LEU C . 26564 3 880 . 1 1 201 201 LEU CA C 13 57.739 0.018 . 1 . . . . 195 LEU CA . 26564 3 881 . 1 1 201 201 LEU CB C 13 38.913 0.015 . 1 . . . . 195 LEU CB . 26564 3 882 . 1 1 201 201 LEU N N 15 118.775 0.071 . 1 . . . . 195 LEU N . 26564 3 883 . 1 1 202 202 ASN H H 1 8.678 0.010 . 1 . . . . 196 ASN H . 26564 3 884 . 1 1 202 202 ASN C C 13 179.508 0.021 . 1 . . . . 196 ASN C . 26564 3 885 . 1 1 202 202 ASN CA C 13 56.155 0.038 . 1 . . . . 196 ASN CA . 26564 3 886 . 1 1 202 202 ASN CB C 13 38.652 0.028 . 1 . . . . 196 ASN CB . 26564 3 887 . 1 1 202 202 ASN N N 15 120.359 0.069 . 1 . . . . 196 ASN N . 26564 3 888 . 1 1 203 203 GLU H H 1 7.984 0.007 . 1 . . . . 197 GLU H . 26564 3 889 . 1 1 203 203 GLU HA H 1 4.429 0.008 . 1 . . . . 197 GLU HA . 26564 3 890 . 1 1 203 203 GLU C C 13 177.747 0.004 . 1 . . . . 197 GLU C . 26564 3 891 . 1 1 203 203 GLU CA C 13 58.641 0.051 . 1 . . . . 197 GLU CA . 26564 3 892 . 1 1 203 203 GLU CB C 13 28.617 0.022 . 1 . . . . 197 GLU CB . 26564 3 893 . 1 1 203 203 GLU N N 15 120.821 0.090 . 1 . . . . 197 GLU N . 26564 3 894 . 1 1 204 204 LEU H H 1 7.347 0.007 . 1 . . . . 198 LEU H . 26564 3 895 . 1 1 204 204 LEU C C 13 176.738 0.011 . 1 . . . . 198 LEU C . 26564 3 896 . 1 1 204 204 LEU CA C 13 54.207 0.035 . 1 . . . . 198 LEU CA . 26564 3 897 . 1 1 204 204 LEU CB C 13 41.851 0.056 . 1 . . . . 198 LEU CB . 26564 3 898 . 1 1 204 204 LEU N N 15 118.666 0.071 . 1 . . . . 198 LEU N . 26564 3 899 . 1 1 205 205 GLY H H 1 7.880 0.013 . 1 . . . . 199 GLY H . 26564 3 900 . 1 1 205 205 GLY HA2 H 1 4.099 0.004 . 2 . . . . 199 GLY HA2 . 26564 3 901 . 1 1 205 205 GLY HA3 H 1 3.746 0.004 . 2 . . . . 199 GLY HA3 . 26564 3 902 . 1 1 205 205 GLY C C 13 174.069 0.007 . 1 . . . . 199 GLY C . 26564 3 903 . 1 1 205 205 GLY CA C 13 44.760 0.016 . 1 . . . . 199 GLY CA . 26564 3 904 . 1 1 205 205 GLY N N 15 106.331 0.048 . 1 . . . . 199 GLY N . 26564 3 905 . 1 1 206 206 ILE H H 1 7.851 0.003 . 1 . . . . 200 ILE H . 26564 3 906 . 1 1 206 206 ILE C C 13 173.111 0.008 . 1 . . . . 200 ILE C . 26564 3 907 . 1 1 206 206 ILE CA C 13 60.141 0.066 . 1 . . . . 200 ILE CA . 26564 3 908 . 1 1 206 206 ILE CB C 13 36.463 0.026 . 1 . . . . 200 ILE CB . 26564 3 909 . 1 1 206 206 ILE N N 15 121.857 0.058 . 1 . . . . 200 ILE N . 26564 3 910 . 1 1 207 207 GLN H H 1 8.996 0.010 . 1 . . . . 201 GLN H . 26564 3 911 . 1 1 207 207 GLN C C 13 176.040 0.030 . 1 . . . . 201 GLN C . 26564 3 912 . 1 1 207 207 GLN CA C 13 56.429 0.025 . 1 . . . . 201 GLN CA . 26564 3 913 . 1 1 207 207 GLN CB C 13 30.663 0.000 . 1 . . . . 201 GLN CB . 26564 3 914 . 1 1 207 207 GLN N N 15 126.356 0.064 . 1 . . . . 201 GLN N . 26564 3 915 . 1 1 208 208 LYS H H 1 8.543 0.002 . 1 . . . . 202 LYS H . 26564 3 916 . 1 1 208 208 LYS C C 13 178.050 0.001 . 1 . . . . 202 LYS C . 26564 3 917 . 1 1 208 208 LYS CA C 13 53.182 0.030 . 1 . . . . 202 LYS CA . 26564 3 918 . 1 1 208 208 LYS CB C 13 34.766 0.078 . 1 . . . . 202 LYS CB . 26564 3 919 . 1 1 208 208 LYS N N 15 120.239 0.037 . 1 . . . . 202 LYS N . 26564 3 920 . 1 1 209 209 LEU H H 1 8.512 0.002 . 1 . . . . 203 LEU H . 26564 3 921 . 1 1 209 209 LEU C C 13 178.232 0.000 . 1 . . . . 203 LEU C . 26564 3 922 . 1 1 209 209 LEU CA C 13 58.326 0.000 . 1 . . . . 203 LEU CA . 26564 3 923 . 1 1 209 209 LEU CB C 13 39.880 0.072 . 1 . . . . 203 LEU CB . 26564 3 924 . 1 1 209 209 LEU N N 15 123.048 0.052 . 1 . . . . 203 LEU N . 26564 3 925 . 1 1 210 210 ARG H H 1 8.377 0.012 . 1 . . . . 204 ARG H . 26564 3 926 . 1 1 210 210 ARG C C 13 178.220 0.032 . 1 . . . . 204 ARG C . 26564 3 927 . 1 1 210 210 ARG CA C 13 58.196 0.070 . 1 . . . . 204 ARG CA . 26564 3 928 . 1 1 210 210 ARG CB C 13 28.451 0.009 . 1 . . . . 204 ARG CB . 26564 3 929 . 1 1 210 210 ARG N N 15 112.783 0.057 . 1 . . . . 204 ARG N . 26564 3 930 . 1 1 211 211 ASP H H 1 7.920 0.006 . 1 . . . . 205 ASP H . 26564 3 931 . 1 1 211 211 ASP C C 13 178.682 0.033 . 1 . . . . 205 ASP C . 26564 3 932 . 1 1 211 211 ASP CA C 13 56.503 0.021 . 1 . . . . 205 ASP CA . 26564 3 933 . 1 1 211 211 ASP CB C 13 41.275 0.008 . 1 . . . . 205 ASP CB . 26564 3 934 . 1 1 211 211 ASP N N 15 120.523 0.060 . 1 . . . . 205 ASP N . 26564 3 935 . 1 1 212 212 ILE H H 1 7.902 0.008 . 1 . . . . 206 ILE H . 26564 3 936 . 1 1 212 212 ILE C C 13 176.607 0.000 . 1 . . . . 206 ILE C . 26564 3 937 . 1 1 212 212 ILE CA C 13 62.725 0.027 . 1 . . . . 206 ILE CA . 26564 3 938 . 1 1 212 212 ILE CB C 13 36.149 0.007 . 1 . . . . 206 ILE CB . 26564 3 939 . 1 1 212 212 ILE N N 15 117.146 0.089 . 1 . . . . 206 ILE N . 26564 3 940 . 1 1 213 213 LEU H H 1 7.158 0.006 . 1 . . . . 207 LEU H . 26564 3 941 . 1 1 213 213 LEU C C 13 177.721 0.000 . 1 . . . . 207 LEU C . 26564 3 942 . 1 1 213 213 LEU CA C 13 55.835 0.000 . 1 . . . . 207 LEU CA . 26564 3 943 . 1 1 213 213 LEU CB C 13 40.256 0.000 . 1 . . . . 207 LEU CB . 26564 3 944 . 1 1 213 213 LEU N N 15 115.899 0.063 . 1 . . . . 207 LEU N . 26564 3 945 . 1 1 217 217 TYR CA C 13 61.916 0.030 . 1 . . . . 211 TYR CA . 26564 3 946 . 1 1 218 218 ASN H H 1 8.283 0.004 . 1 . . . . 212 ASN H . 26564 3 947 . 1 1 218 218 ASN C C 13 177.887 0.033 . 1 . . . . 212 ASN C . 26564 3 948 . 1 1 218 218 ASN CA C 13 56.146 0.068 . 1 . . . . 212 ASN CA . 26564 3 949 . 1 1 218 218 ASN CB C 13 37.724 0.000 . 1 . . . . 212 ASN CB . 26564 3 950 . 1 1 218 218 ASN N N 15 115.717 0.158 . 1 . . . . 212 ASN N . 26564 3 951 . 1 1 219 219 GLU H H 1 7.598 0.005 . 1 . . . . 213 GLU H . 26564 3 952 . 1 1 219 219 GLU C C 13 178.462 0.012 . 1 . . . . 213 GLU C . 26564 3 953 . 1 1 219 219 GLU CA C 13 58.293 0.044 . 1 . . . . 213 GLU CA . 26564 3 954 . 1 1 219 219 GLU CB C 13 28.892 0.097 . 1 . . . . 213 GLU CB . 26564 3 955 . 1 1 219 219 GLU N N 15 118.558 0.101 . 1 . . . . 213 GLU N . 26564 3 956 . 1 1 220 220 LEU H H 1 7.487 0.006 . 1 . . . . 214 LEU H . 26564 3 957 . 1 1 220 220 LEU C C 13 178.453 0.020 . 1 . . . . 214 LEU C . 26564 3 958 . 1 1 220 220 LEU CA C 13 57.470 0.061 . 1 . . . . 214 LEU CA . 26564 3 959 . 1 1 220 220 LEU CB C 13 41.200 0.010 . 1 . . . . 214 LEU CB . 26564 3 960 . 1 1 220 220 LEU N N 15 119.360 0.048 . 1 . . . . 214 LEU N . 26564 3 961 . 1 1 221 221 GLU H H 1 8.319 0.008 . 1 . . . . 215 GLU H . 26564 3 962 . 1 1 221 221 GLU C C 13 178.789 0.011 . 1 . . . . 215 GLU C . 26564 3 963 . 1 1 221 221 GLU CA C 13 58.845 0.024 . 1 . . . . 215 GLU CA . 26564 3 964 . 1 1 221 221 GLU CB C 13 28.654 0.030 . 1 . . . . 215 GLU CB . 26564 3 965 . 1 1 221 221 GLU N N 15 117.763 0.073 . 1 . . . . 215 GLU N . 26564 3 966 . 1 1 222 222 LYS H H 1 7.261 0.005 . 1 . . . . 216 LYS H . 26564 3 967 . 1 1 222 222 LYS C C 13 177.499 0.004 . 1 . . . . 216 LYS C . 26564 3 968 . 1 1 222 222 LYS CA C 13 58.534 0.037 . 1 . . . . 216 LYS CA . 26564 3 969 . 1 1 222 222 LYS CB C 13 31.516 0.000 . 1 . . . . 216 LYS CB . 26564 3 970 . 1 1 222 222 LYS N N 15 117.490 0.065 . 1 . . . . 216 LYS N . 26564 3 971 . 1 1 223 223 ILE H H 1 7.437 0.007 . 1 . . . . 217 ILE H . 26564 3 972 . 1 1 223 223 ILE C C 13 177.442 0.001 . 1 . . . . 217 ILE C . 26564 3 973 . 1 1 223 223 ILE CA C 13 62.296 0.015 . 1 . . . . 217 ILE CA . 26564 3 974 . 1 1 223 223 ILE CB C 13 37.899 0.011 . 1 . . . . 217 ILE CB . 26564 3 975 . 1 1 223 223 ILE N N 15 116.515 0.056 . 1 . . . . 217 ILE N . 26564 3 976 . 1 1 224 224 THR H H 1 8.372 0.005 . 1 . . . . 218 THR H . 26564 3 977 . 1 1 224 224 THR C C 13 176.949 0.011 . 1 . . . . 218 THR C . 26564 3 978 . 1 1 224 224 THR CA C 13 62.828 0.000 . 1 . . . . 218 THR CA . 26564 3 979 . 1 1 224 224 THR CB C 13 69.307 0.000 . 1 . . . . 218 THR CB . 26564 3 980 . 1 1 224 224 THR N N 15 106.461 0.068 . 1 . . . . 218 THR N . 26564 3 981 . 1 1 225 225 GLY H H 1 8.133 0.005 . 1 . . . . 219 GLY H . 26564 3 982 . 1 1 225 225 GLY HA2 H 1 4.582 0.024 . 2 . . . . 219 GLY HA2 . 26564 3 983 . 1 1 225 225 GLY HA3 H 1 3.998 0.001 . 2 . . . . 219 GLY HA3 . 26564 3 984 . 1 1 225 225 GLY CA C 13 44.406 0.000 . 1 . . . . 219 GLY CA . 26564 3 985 . 1 1 225 225 GLY N N 15 112.670 0.048 . 1 . . . . 219 GLY N . 26564 3 986 . 1 1 227 227 ALA C C 13 181.702 0.000 . 1 . . . . 221 ALA C . 26564 3 987 . 1 1 227 227 ALA CA C 13 55.404 0.000 . 1 . . . . 221 ALA CA . 26564 3 988 . 1 1 227 227 ALA CB C 13 17.456 0.000 . 1 . . . . 221 ALA CB . 26564 3 989 . 1 1 228 228 LYS H H 1 8.656 0.012 . 1 . . . . 222 LYS H . 26564 3 990 . 1 1 228 228 LYS C C 13 177.800 0.048 . 1 . . . . 222 LYS C . 26564 3 991 . 1 1 228 228 LYS CA C 13 58.314 0.012 . 1 . . . . 222 LYS CA . 26564 3 992 . 1 1 228 228 LYS CB C 13 31.499 0.080 . 1 . . . . 222 LYS CB . 26564 3 993 . 1 1 228 228 LYS N N 15 117.014 0.109 . 1 . . . . 222 LYS N . 26564 3 994 . 1 1 229 229 ALA H H 1 7.638 0.011 . 1 . . . . 223 ALA H . 26564 3 995 . 1 1 229 229 ALA C C 13 178.779 0.014 . 1 . . . . 223 ALA C . 26564 3 996 . 1 1 229 229 ALA CA C 13 55.682 0.013 . 1 . . . . 223 ALA CA . 26564 3 997 . 1 1 229 229 ALA CB C 13 16.942 0.020 . 1 . . . . 223 ALA CB . 26564 3 998 . 1 1 229 229 ALA N N 15 122.107 0.054 . 1 . . . . 223 ALA N . 26564 3 999 . 1 1 230 230 LEU H H 1 7.898 0.005 . 1 . . . . 224 LEU H . 26564 3 1000 . 1 1 230 230 LEU C C 13 179.055 0.037 . 1 . . . . 224 LEU C . 26564 3 1001 . 1 1 230 230 LEU CA C 13 57.450 0.039 . 1 . . . . 224 LEU CA . 26564 3 1002 . 1 1 230 230 LEU CB C 13 41.080 0.044 . 1 . . . . 224 LEU CB . 26564 3 1003 . 1 1 230 230 LEU N N 15 117.147 0.055 . 1 . . . . 224 LEU N . 26564 3 1004 . 1 1 231 231 TYR H H 1 7.554 0.005 . 1 . . . . 225 TYR H . 26564 3 1005 . 1 1 231 231 TYR C C 13 176.339 0.014 . 1 . . . . 225 TYR C . 26564 3 1006 . 1 1 231 231 TYR CA C 13 59.464 0.010 . 1 . . . . 225 TYR CA . 26564 3 1007 . 1 1 231 231 TYR CB C 13 38.128 0.011 . 1 . . . . 225 TYR CB . 26564 3 1008 . 1 1 231 231 TYR N N 15 119.677 0.070 . 1 . . . . 225 TYR N . 26564 3 1009 . 1 1 232 232 LEU H H 1 8.033 0.009 . 1 . . . . 226 LEU H . 26564 3 1010 . 1 1 232 232 LEU C C 13 178.410 0.000 . 1 . . . . 226 LEU C . 26564 3 1011 . 1 1 232 232 LEU CA C 13 57.312 0.000 . 1 . . . . 226 LEU CA . 26564 3 1012 . 1 1 232 232 LEU CB C 13 41.507 0.000 . 1 . . . . 226 LEU CB . 26564 3 1013 . 1 1 232 232 LEU N N 15 117.776 0.044 . 1 . . . . 226 LEU N . 26564 3 1014 . 1 1 233 233 LEU C C 13 179.117 0.000 . 1 . . . . 227 LEU C . 26564 3 1015 . 1 1 233 233 LEU CA C 13 58.000 0.006 . 1 . . . . 227 LEU CA . 26564 3 1016 . 1 1 234 234 LYS H H 1 8.324 0.005 . 1 . . . . 228 LYS H . 26564 3 1017 . 1 1 234 234 LYS C C 13 179.725 0.012 . 1 . . . . 228 LYS C . 26564 3 1018 . 1 1 234 234 LYS CA C 13 59.455 0.104 . 1 . . . . 228 LYS CA . 26564 3 1019 . 1 1 234 234 LYS CB C 13 31.514 0.000 . 1 . . . . 228 LYS CB . 26564 3 1020 . 1 1 234 234 LYS N N 15 117.309 0.062 . 1 . . . . 228 LYS N . 26564 3 1021 . 1 1 235 235 LEU H H 1 8.130 0.013 . 1 . . . . 229 LEU H . 26564 3 1022 . 1 1 235 235 LEU C C 13 179.039 0.007 . 1 . . . . 229 LEU C . 26564 3 1023 . 1 1 235 235 LEU CA C 13 57.580 0.040 . 1 . . . . 229 LEU CA . 26564 3 1024 . 1 1 235 235 LEU CB C 13 41.394 0.000 . 1 . . . . 229 LEU CB . 26564 3 1025 . 1 1 235 235 LEU N N 15 120.706 0.054 . 1 . . . . 229 LEU N . 26564 3 1026 . 1 1 236 236 ALA H H 1 8.331 0.014 . 1 . . . . 230 ALA H . 26564 3 1027 . 1 1 236 236 ALA C C 13 178.523 0.038 . 1 . . . . 230 ALA C . 26564 3 1028 . 1 1 236 236 ALA CA C 13 54.476 0.119 . 1 . . . . 230 ALA CA . 26564 3 1029 . 1 1 236 236 ALA CB C 13 17.834 0.000 . 1 . . . . 230 ALA CB . 26564 3 1030 . 1 1 236 236 ALA N N 15 118.866 0.075 . 1 . . . . 230 ALA N . 26564 3 1031 . 1 1 237 237 GLN H H 1 7.648 0.007 . 1 . . . . 231 GLN H . 26564 3 1032 . 1 1 237 237 GLN C C 13 175.711 0.012 . 1 . . . . 231 GLN C . 26564 3 1033 . 1 1 237 237 GLN CA C 13 55.002 0.075 . 1 . . . . 231 GLN CA . 26564 3 1034 . 1 1 237 237 GLN CB C 13 29.194 0.022 . 1 . . . . 231 GLN CB . 26564 3 1035 . 1 1 237 237 GLN N N 15 112.511 0.073 . 1 . . . . 231 GLN N . 26564 3 1036 . 1 1 238 238 ASN H H 1 8.195 0.017 . 1 . . . . 232 ASN H . 26564 3 1037 . 1 1 238 238 ASN CA C 13 53.470 0.000 . 1 . . . . 232 ASN CA . 26564 3 1038 . 1 1 238 238 ASN CB C 13 37.013 0.000 . 1 . . . . 232 ASN CB . 26564 3 1039 . 1 1 238 238 ASN N N 15 117.795 0.051 . 1 . . . . 232 ASN N . 26564 3 1040 . 1 1 255 255 TYR CA C 13 57.092 0.000 . 1 . . . . 249 TYR CA . 26564 3 1041 . 1 1 256 256 LEU H H 1 8.073 0.032 . 1 . . . . 250 LEU H . 26564 3 1042 . 1 1 256 256 LEU CA C 13 54.128 0.009 . 1 . . . . 250 LEU CA . 26564 3 1043 . 1 1 256 256 LEU CB C 13 40.911 0.000 . 1 . . . . 250 LEU CB . 26564 3 1044 . 1 1 256 256 LEU N N 15 122.183 0.122 . 1 . . . . 250 LEU N . 26564 3 1045 . 1 1 257 257 THR H H 1 8.663 0.002 . 1 . . . . 251 THR H . 26564 3 1046 . 1 1 257 257 THR C C 13 173.545 0.000 . 1 . . . . 251 THR C . 26564 3 1047 . 1 1 257 257 THR CA C 13 62.923 0.033 . 1 . . . . 251 THR CA . 26564 3 1048 . 1 1 257 257 THR CB C 13 68.604 0.065 . 1 . . . . 251 THR CB . 26564 3 1049 . 1 1 257 257 THR N N 15 120.493 0.058 . 1 . . . . 251 THR N . 26564 3 1050 . 1 1 258 258 LEU H H 1 7.984 0.006 . 1 . . . . 252 LEU H . 26564 3 1051 . 1 1 258 258 LEU C C 13 175.412 0.000 . 1 . . . . 252 LEU C . 26564 3 1052 . 1 1 258 258 LEU CA C 13 52.609 0.000 . 1 . . . . 252 LEU CA . 26564 3 1053 . 1 1 258 258 LEU CB C 13 38.984 0.000 . 1 . . . . 252 LEU CB . 26564 3 1054 . 1 1 258 258 LEU N N 15 127.308 0.089 . 1 . . . . 252 LEU N . 26564 3 1055 . 1 1 259 259 PRO C C 13 175.423 0.000 . 1 . . . . 253 PRO C . 26564 3 1056 . 1 1 259 259 PRO CA C 13 64.076 0.020 . 1 . . . . 253 PRO CA . 26564 3 1057 . 1 1 259 259 PRO CB C 13 30.367 0.000 . 1 . . . . 253 PRO CB . 26564 3 1058 . 1 1 260 260 TYR H H 1 6.721 0.005 . 1 . . . . 254 TYR H . 26564 3 1059 . 1 1 260 260 TYR C C 13 173.059 0.001 . 1 . . . . 254 TYR C . 26564 3 1060 . 1 1 260 260 TYR CA C 13 54.404 0.027 . 1 . . . . 254 TYR CA . 26564 3 1061 . 1 1 260 260 TYR CB C 13 38.364 0.000 . 1 . . . . 254 TYR CB . 26564 3 1062 . 1 1 260 260 TYR N N 15 111.457 0.087 . 1 . . . . 254 TYR N . 26564 3 1063 . 1 1 261 261 ASN H H 1 8.357 0.003 . 1 . . . . 255 ASN H . 26564 3 1064 . 1 1 261 261 ASN C C 13 175.937 0.013 . 1 . . . . 255 ASN C . 26564 3 1065 . 1 1 261 261 ASN CA C 13 52.845 0.016 . 1 . . . . 255 ASN CA . 26564 3 1066 . 1 1 261 261 ASN CB C 13 36.808 0.000 . 1 . . . . 255 ASN CB . 26564 3 1067 . 1 1 261 261 ASN N N 15 117.880 0.071 . 1 . . . . 255 ASN N . 26564 3 1068 . 1 1 262 262 THR H H 1 8.322 0.005 . 1 . . . . 256 THR H . 26564 3 1069 . 1 1 262 262 THR C C 13 172.076 0.000 . 1 . . . . 256 THR C . 26564 3 1070 . 1 1 262 262 THR CA C 13 61.086 0.000 . 1 . . . . 256 THR CA . 26564 3 1071 . 1 1 262 262 THR CB C 13 68.678 0.000 . 1 . . . . 256 THR CB . 26564 3 1072 . 1 1 262 262 THR N N 15 117.880 0.073 . 1 . . . . 256 THR N . 26564 3 1073 . 1 1 263 263 ARG C C 13 174.160 0.000 . 1 . . . . 257 ARG C . 26564 3 1074 . 1 1 263 263 ARG CA C 13 55.324 0.088 . 1 . . . . 257 ARG CA . 26564 3 1075 . 1 1 264 264 ASP H H 1 8.665 0.009 . 1 . . . . 258 ASP H . 26564 3 1076 . 1 1 264 264 ASP C C 13 177.885 0.000 . 1 . . . . 258 ASP C . 26564 3 1077 . 1 1 264 264 ASP CA C 13 53.460 0.036 . 1 . . . . 258 ASP CA . 26564 3 1078 . 1 1 264 264 ASP CB C 13 40.812 0.007 . 1 . . . . 258 ASP CB . 26564 3 1079 . 1 1 264 264 ASP N N 15 122.368 0.088 . 1 . . . . 258 ASP N . 26564 3 1080 . 1 1 265 265 VAL H H 1 8.618 0.006 . 1 . . . . 259 VAL H . 26564 3 1081 . 1 1 265 265 VAL C C 13 176.513 0.000 . 1 . . . . 259 VAL C . 26564 3 1082 . 1 1 265 265 VAL CA C 13 66.422 0.021 . 1 . . . . 259 VAL CA . 26564 3 1083 . 1 1 265 265 VAL CB C 13 31.086 0.006 . 1 . . . . 259 VAL CB . 26564 3 1084 . 1 1 265 265 VAL N N 15 128.493 0.049 . 1 . . . . 259 VAL N . 26564 3 1085 . 1 1 266 266 LYS H H 1 8.308 0.008 . 1 . . . . 260 LYS H . 26564 3 1086 . 1 1 266 266 LYS C C 13 178.853 0.041 . 1 . . . . 260 LYS C . 26564 3 1087 . 1 1 266 266 LYS CA C 13 58.860 0.045 . 1 . . . . 260 LYS CA . 26564 3 1088 . 1 1 266 266 LYS CB C 13 31.349 0.000 . 1 . . . . 260 LYS CB . 26564 3 1089 . 1 1 266 266 LYS N N 15 117.471 0.113 . 1 . . . . 260 LYS N . 26564 3 1090 . 1 1 267 267 VAL H H 1 7.253 0.012 . 1 . . . . 261 VAL H . 26564 3 1091 . 1 1 267 267 VAL C C 13 177.217 0.014 . 1 . . . . 261 VAL C . 26564 3 1092 . 1 1 267 267 VAL CA C 13 63.870 0.062 . 1 . . . . 261 VAL CA . 26564 3 1093 . 1 1 267 267 VAL CB C 13 31.502 0.043 . 1 . . . . 261 VAL CB . 26564 3 1094 . 1 1 267 267 VAL N N 15 117.859 0.096 . 1 . . . . 261 VAL N . 26564 3 1095 . 1 1 268 268 ILE H H 1 7.627 0.012 . 1 . . . . 262 ILE H . 26564 3 1096 . 1 1 268 268 ILE C C 13 178.328 0.018 . 1 . . . . 262 ILE C . 26564 3 1097 . 1 1 268 268 ILE CA C 13 64.321 0.082 . 1 . . . . 262 ILE CA . 26564 3 1098 . 1 1 268 268 ILE CB C 13 38.649 0.063 . 1 . . . . 262 ILE CB . 26564 3 1099 . 1 1 268 268 ILE N N 15 117.193 0.054 . 1 . . . . 262 ILE N . 26564 3 1100 . 1 1 269 269 LEU H H 1 8.627 0.020 . 1 . . . . 263 LEU H . 26564 3 1101 . 1 1 269 269 LEU C C 13 174.777 0.000 . 1 . . . . 263 LEU C . 26564 3 1102 . 1 1 269 269 LEU CA C 13 59.839 0.000 . 1 . . . . 263 LEU CA . 26564 3 1103 . 1 1 269 269 LEU CB C 13 38.756 0.000 . 1 . . . . 263 LEU CB . 26564 3 1104 . 1 1 269 269 LEU N N 15 120.009 0.052 . 1 . . . . 263 LEU N . 26564 3 1105 . 1 1 270 270 PRO C C 13 179.687 0.000 . 1 . . . . 264 PRO C . 26564 3 1106 . 1 1 270 270 PRO CA C 13 66.040 0.016 . 1 . . . . 264 PRO CA . 26564 3 1107 . 1 1 270 270 PRO CB C 13 30.348 0.000 . 1 . . . . 264 PRO CB . 26564 3 1108 . 1 1 271 271 TYR H H 1 7.349 0.003 . 1 . . . . 265 TYR H . 26564 3 1109 . 1 1 271 271 TYR C C 13 176.915 0.001 . 1 . . . . 265 TYR C . 26564 3 1110 . 1 1 271 271 TYR CA C 13 61.515 0.037 . 1 . . . . 265 TYR CA . 26564 3 1111 . 1 1 271 271 TYR CB C 13 37.539 0.000 . 1 . . . . 265 TYR CB . 26564 3 1112 . 1 1 271 271 TYR N N 15 115.953 0.041 . 1 . . . . 265 TYR N . 26564 3 1113 . 1 1 272 272 LEU H H 1 8.058 0.010 . 1 . . . . 266 LEU H . 26564 3 1114 . 1 1 272 272 LEU C C 13 178.161 0.022 . 1 . . . . 266 LEU C . 26564 3 1115 . 1 1 272 272 LEU CA C 13 57.431 0.067 . 1 . . . . 266 LEU CA . 26564 3 1116 . 1 1 272 272 LEU CB C 13 41.618 0.017 . 1 . . . . 266 LEU CB . 26564 3 1117 . 1 1 272 272 LEU N N 15 121.736 0.078 . 1 . . . . 266 LEU N . 26564 3 1118 . 1 1 273 273 LYS H H 1 8.682 0.006 . 1 . . . . 267 LYS H . 26564 3 1119 . 1 1 273 273 LYS C C 13 178.073 0.009 . 1 . . . . 267 LYS C . 26564 3 1120 . 1 1 273 273 LYS CA C 13 60.500 0.048 . 1 . . . . 267 LYS CA . 26564 3 1121 . 1 1 273 273 LYS CB C 13 30.906 0.000 . 1 . . . . 267 LYS CB . 26564 3 1122 . 1 1 273 273 LYS N N 15 117.026 0.053 . 1 . . . . 267 LYS N . 26564 3 1123 . 1 1 274 274 LYS H H 1 7.396 0.008 . 1 . . . . 268 LYS H . 26564 3 1124 . 1 1 274 274 LYS C C 13 178.554 0.007 . 1 . . . . 268 LYS C . 26564 3 1125 . 1 1 274 274 LYS CA C 13 59.603 0.033 . 1 . . . . 268 LYS CA . 26564 3 1126 . 1 1 274 274 LYS CB C 13 31.513 0.000 . 1 . . . . 268 LYS CB . 26564 3 1127 . 1 1 274 274 LYS N N 15 119.245 0.044 . 1 . . . . 268 LYS N . 26564 3 1128 . 1 1 275 275 ALA H H 1 8.203 0.009 . 1 . . . . 269 ALA H . 26564 3 1129 . 1 1 275 275 ALA C C 13 179.983 0.008 . 1 . . . . 269 ALA C . 26564 3 1130 . 1 1 275 275 ALA CA C 13 54.978 0.015 . 1 . . . . 269 ALA CA . 26564 3 1131 . 1 1 275 275 ALA CB C 13 16.426 0.006 . 1 . . . . 269 ALA CB . 26564 3 1132 . 1 1 275 275 ALA N N 15 121.961 0.050 . 1 . . . . 269 ALA N . 26564 3 1133 . 1 1 276 276 ILE H H 1 8.326 0.009 . 1 . . . . 270 ILE H . 26564 3 1134 . 1 1 276 276 ILE C C 13 177.295 0.004 . 1 . . . . 270 ILE C . 26564 3 1135 . 1 1 276 276 ILE CA C 13 65.561 0.062 . 1 . . . . 270 ILE CA . 26564 3 1136 . 1 1 276 276 ILE CB C 13 37.525 0.024 . 1 . . . . 270 ILE CB . 26564 3 1137 . 1 1 276 276 ILE N N 15 118.900 0.091 . 1 . . . . 270 ILE N . 26564 3 1138 . 1 1 277 277 ASN H H 1 8.650 0.008 . 1 . . . . 271 ASN H . 26564 3 1139 . 1 1 277 277 ASN C C 13 178.303 0.000 . 1 . . . . 271 ASN C . 26564 3 1140 . 1 1 277 277 ASN CA C 13 56.555 0.034 . 1 . . . . 271 ASN CA . 26564 3 1141 . 1 1 277 277 ASN CB C 13 37.640 0.005 . 1 . . . . 271 ASN CB . 26564 3 1142 . 1 1 277 277 ASN N N 15 120.083 0.054 . 1 . . . . 271 ASN N . 26564 3 1143 . 1 1 278 278 GLU H H 1 8.337 0.005 . 1 . . . . 272 GLU H . 26564 3 1144 . 1 1 278 278 GLU C C 13 178.946 0.016 . 1 . . . . 272 GLU C . 26564 3 1145 . 1 1 278 278 GLU CA C 13 58.919 0.019 . 1 . . . . 272 GLU CA . 26564 3 1146 . 1 1 278 278 GLU CB C 13 29.032 0.041 . 1 . . . . 272 GLU CB . 26564 3 1147 . 1 1 278 278 GLU N N 15 118.459 0.065 . 1 . . . . 272 GLU N . 26564 3 1148 . 1 1 279 279 ALA H H 1 8.367 0.011 . 1 . . . . 273 ALA H . 26564 3 1149 . 1 1 279 279 ALA C C 13 180.868 0.002 . 1 . . . . 273 ALA C . 26564 3 1150 . 1 1 279 279 ALA CA C 13 54.798 0.021 . 1 . . . . 273 ALA CA . 26564 3 1151 . 1 1 279 279 ALA CB C 13 17.576 0.000 . 1 . . . . 273 ALA CB . 26564 3 1152 . 1 1 279 279 ALA N N 15 121.920 0.088 . 1 . . . . 273 ALA N . 26564 3 1153 . 1 1 280 280 TYR H H 1 8.888 0.009 . 1 . . . . 274 TYR H . 26564 3 1154 . 1 1 280 280 TYR C C 13 178.504 0.055 . 1 . . . . 274 TYR C . 26564 3 1155 . 1 1 280 280 TYR CA C 13 61.769 0.075 . 1 . . . . 274 TYR CA . 26564 3 1156 . 1 1 280 280 TYR CB C 13 37.927 0.010 . 1 . . . . 274 TYR CB . 26564 3 1157 . 1 1 280 280 TYR N N 15 118.077 0.068 . 1 . . . . 274 TYR N . 26564 3 1158 . 1 1 281 281 ASN H H 1 7.716 0.006 . 1 . . . . 275 ASN H . 26564 3 1159 . 1 1 281 281 ASN C C 13 176.246 0.005 . 1 . . . . 275 ASN C . 26564 3 1160 . 1 1 281 281 ASN CA C 13 54.918 0.026 . 1 . . . . 275 ASN CA . 26564 3 1161 . 1 1 281 281 ASN CB C 13 38.627 0.014 . 1 . . . . 275 ASN CB . 26564 3 1162 . 1 1 281 281 ASN N N 15 116.109 0.060 . 1 . . . . 275 ASN N . 26564 3 1163 . 1 1 282 282 LYS H H 1 7.371 0.005 . 1 . . . . 276 LYS H . 26564 3 1164 . 1 1 282 282 LYS C C 13 176.692 0.030 . 1 . . . . 276 LYS C . 26564 3 1165 . 1 1 282 282 LYS CA C 13 55.635 0.023 . 1 . . . . 276 LYS CA . 26564 3 1166 . 1 1 282 282 LYS CB C 13 32.607 0.024 . 1 . . . . 276 LYS CB . 26564 3 1167 . 1 1 282 282 LYS N N 15 116.316 0.076 . 1 . . . . 276 LYS N . 26564 3 1168 . 1 1 283 283 VAL H H 1 7.267 0.004 . 1 . . . . 277 VAL H . 26564 3 1169 . 1 1 283 283 VAL C C 13 174.760 0.000 . 1 . . . . 277 VAL C . 26564 3 1170 . 1 1 283 283 VAL CA C 13 60.748 0.008 . 1 . . . . 277 VAL CA . 26564 3 1171 . 1 1 283 283 VAL CB C 13 32.682 0.000 . 1 . . . . 277 VAL CB . 26564 3 1172 . 1 1 283 283 VAL N N 15 114.614 0.067 . 1 . . . . 277 VAL N . 26564 3 1173 . 1 1 284 284 ASN C C 13 174.072 0.000 . 1 . . . . 278 ASN C . 26564 3 1174 . 1 1 284 284 ASN CA C 13 52.259 0.000 . 1 . . . . 278 ASN CA . 26564 3 1175 . 1 1 285 285 GLY H H 1 7.253 0.008 . 1 . . . . 279 GLY H . 26564 3 1176 . 1 1 285 285 GLY C C 13 171.572 0.008 . 1 . . . . 279 GLY C . 26564 3 1177 . 1 1 285 285 GLY CA C 13 44.470 0.005 . 1 . . . . 279 GLY CA . 26564 3 1178 . 1 1 285 285 GLY N N 15 106.431 0.058 . 1 . . . . 279 GLY N . 26564 3 1179 . 1 1 286 286 ILE H H 1 8.229 0.004 . 1 . . . . 280 ILE H . 26564 3 1180 . 1 1 286 286 ILE C C 13 173.621 0.000 . 1 . . . . 280 ILE C . 26564 3 1181 . 1 1 286 286 ILE CA C 13 56.542 0.000 . 1 . . . . 280 ILE CA . 26564 3 1182 . 1 1 286 286 ILE CB C 13 39.027 0.000 . 1 . . . . 280 ILE CB . 26564 3 1183 . 1 1 286 286 ILE N N 15 118.033 0.072 . 1 . . . . 280 ILE N . 26564 3 1184 . 1 1 287 287 PRO HA H 1 4.594 0.000 . 1 . . . . 281 PRO HA . 26564 3 1185 . 1 1 287 287 PRO C C 13 176.478 0.000 . 1 . . . . 281 PRO C . 26564 3 1186 . 1 1 287 287 PRO CA C 13 62.343 0.028 . 1 . . . . 281 PRO CA . 26564 3 1187 . 1 1 287 287 PRO CB C 13 32.346 0.000 . 1 . . . . 281 PRO CB . 26564 3 1188 . 1 1 288 288 MET H H 1 8.059 0.005 . 1 . . . . 282 MET H . 26564 3 1189 . 1 1 288 288 MET C C 13 174.553 0.001 . 1 . . . . 282 MET C . 26564 3 1190 . 1 1 288 288 MET CA C 13 55.990 0.028 . 1 . . . . 282 MET CA . 26564 3 1191 . 1 1 288 288 MET CB C 13 34.454 0.010 . 1 . . . . 282 MET CB . 26564 3 1192 . 1 1 288 288 MET N N 15 115.170 0.047 . 1 . . . . 282 MET N . 26564 3 1193 . 1 1 289 289 ARG H H 1 7.990 0.004 . 1 . . . . 283 ARG H . 26564 3 1194 . 1 1 289 289 ARG C C 13 173.649 0.001 . 1 . . . . 283 ARG C . 26564 3 1195 . 1 1 289 289 ARG CA C 13 54.730 0.046 . 1 . . . . 283 ARG CA . 26564 3 1196 . 1 1 289 289 ARG CB C 13 33.950 0.006 . 1 . . . . 283 ARG CB . 26564 3 1197 . 1 1 289 289 ARG N N 15 119.380 0.081 . 1 . . . . 283 ARG N . 26564 3 1198 . 1 1 290 290 ILE H H 1 8.161 0.007 . 1 . . . . 284 ILE H . 26564 3 1199 . 1 1 290 290 ILE HA H 1 5.473 0.000 . 1 . . . . 284 ILE HA . 26564 3 1200 . 1 1 290 290 ILE C C 13 172.580 0.002 . 1 . . . . 284 ILE C . 26564 3 1201 . 1 1 290 290 ILE CA C 13 58.624 0.019 . 1 . . . . 284 ILE CA . 26564 3 1202 . 1 1 290 290 ILE CB C 13 41.138 0.026 . 1 . . . . 284 ILE CB . 26564 3 1203 . 1 1 290 290 ILE N N 15 123.113 0.050 . 1 . . . . 284 ILE N . 26564 3 1204 . 1 1 291 291 THR H H 1 8.375 0.003 . 1 . . . . 285 THR H . 26564 3 1205 . 1 1 291 291 THR HA H 1 4.944 0.011 . 1 . . . . 285 THR HA . 26564 3 1206 . 1 1 291 291 THR C C 13 173.465 0.000 . 1 . . . . 285 THR C . 26564 3 1207 . 1 1 291 291 THR CA C 13 61.477 0.070 . 1 . . . . 285 THR CA . 26564 3 1208 . 1 1 291 291 THR CB C 13 70.809 0.026 . 1 . . . . 285 THR CB . 26564 3 1209 . 1 1 291 291 THR N N 15 122.181 0.070 . 1 . . . . 285 THR N . 26564 3 1210 . 1 1 292 292 VAL H H 1 8.762 0.006 . 1 . . . . 286 VAL H . 26564 3 1211 . 1 1 292 292 VAL HA H 1 4.528 0.000 . 1 . . . . 286 VAL HA . 26564 3 1212 . 1 1 292 292 VAL C C 13 173.144 0.015 . 1 . . . . 286 VAL C . 26564 3 1213 . 1 1 292 292 VAL CA C 13 61.706 0.069 . 1 . . . . 286 VAL CA . 26564 3 1214 . 1 1 292 292 VAL CB C 13 32.731 0.064 . 1 . . . . 286 VAL CB . 26564 3 1215 . 1 1 292 292 VAL N N 15 127.023 0.062 . 1 . . . . 286 VAL N . 26564 3 1216 . 1 1 293 293 ILE H H 1 8.537 0.010 . 1 . . . . 287 ILE H . 26564 3 1217 . 1 1 293 293 ILE HA H 1 4.563 0.000 . 1 . . . . 287 ILE HA . 26564 3 1218 . 1 1 293 293 ILE C C 13 173.300 0.029 . 1 . . . . 287 ILE C . 26564 3 1219 . 1 1 293 293 ILE CA C 13 60.108 0.037 . 1 . . . . 287 ILE CA . 26564 3 1220 . 1 1 293 293 ILE CB C 13 40.235 0.098 . 1 . . . . 287 ILE CB . 26564 3 1221 . 1 1 293 293 ILE N N 15 127.079 0.049 . 1 . . . . 287 ILE N . 26564 3 1222 . 1 1 294 294 ALA H H 1 9.343 0.008 . 1 . . . . 288 ALA H . 26564 3 1223 . 1 1 294 294 ALA HA H 1 5.061 0.007 . 1 . . . . 288 ALA HA . 26564 3 1224 . 1 1 294 294 ALA C C 13 174.781 0.008 . 1 . . . . 288 ALA C . 26564 3 1225 . 1 1 294 294 ALA CA C 13 49.922 0.020 . 1 . . . . 288 ALA CA . 26564 3 1226 . 1 1 294 294 ALA CB C 13 20.583 0.053 . 1 . . . . 288 ALA CB . 26564 3 1227 . 1 1 294 294 ALA N N 15 129.070 0.077 . 1 . . . . 288 ALA N . 26564 3 1228 . 1 1 295 295 ILE H H 1 8.614 0.004 . 1 . . . . 289 ILE H . 26564 3 1229 . 1 1 295 295 ILE C C 13 176.657 0.004 . 1 . . . . 289 ILE C . 26564 3 1230 . 1 1 295 295 ILE CA C 13 59.203 0.075 . 1 . . . . 289 ILE CA . 26564 3 1231 . 1 1 295 295 ILE CB C 13 36.020 0.048 . 1 . . . . 289 ILE CB . 26564 3 1232 . 1 1 295 295 ILE N N 15 122.874 0.064 . 1 . . . . 289 ILE N . 26564 3 1233 . 1 1 296 296 MET H H 1 9.011 0.007 . 1 . . . . 290 MET H . 26564 3 1234 . 1 1 296 296 MET C C 13 179.821 0.008 . 1 . . . . 290 MET C . 26564 3 1235 . 1 1 296 296 MET CA C 13 53.490 0.006 . 1 . . . . 290 MET CA . 26564 3 1236 . 1 1 296 296 MET CB C 13 30.400 0.008 . 1 . . . . 290 MET CB . 26564 3 1237 . 1 1 296 296 MET N N 15 124.037 0.043 . 1 . . . . 290 MET N . 26564 3 1238 . 1 1 297 297 GLU H H 1 8.424 0.007 . 1 . . . . 291 GLU H . 26564 3 1239 . 1 1 297 297 GLU C C 13 174.669 0.035 . 1 . . . . 291 GLU C . 26564 3 1240 . 1 1 297 297 GLU CA C 13 58.351 0.033 . 1 . . . . 291 GLU CA . 26564 3 1241 . 1 1 297 297 GLU CB C 13 30.395 0.065 . 1 . . . . 291 GLU CB . 26564 3 1242 . 1 1 297 297 GLU N N 15 116.919 0.075 . 1 . . . . 291 GLU N . 26564 3 1243 . 1 1 298 298 ASP H H 1 7.905 0.015 . 1 . . . . 292 ASP H . 26564 3 1244 . 1 1 298 298 ASP C C 13 176.698 0.000 . 1 . . . . 292 ASP C . 26564 3 1245 . 1 1 298 298 ASP CA C 13 52.715 0.029 . 1 . . . . 292 ASP CA . 26564 3 1246 . 1 1 298 298 ASP CB C 13 39.552 0.024 . 1 . . . . 292 ASP CB . 26564 3 1247 . 1 1 298 298 ASP N N 15 118.738 0.036 . 1 . . . . 292 ASP N . 26564 3 1248 . 1 1 299 299 LEU H H 1 8.257 0.007 . 1 . . . . 293 LEU H . 26564 3 1249 . 1 1 299 299 LEU C C 13 175.656 0.043 . 1 . . . . 293 LEU C . 26564 3 1250 . 1 1 299 299 LEU CA C 13 56.516 0.089 . 1 . . . . 293 LEU CA . 26564 3 1251 . 1 1 299 299 LEU CB C 13 36.936 0.000 . 1 . . . . 293 LEU CB . 26564 3 1252 . 1 1 299 299 LEU N N 15 113.107 0.084 . 1 . . . . 293 LEU N . 26564 3 1253 . 1 1 300 300 ASP H H 1 7.605 0.006 . 1 . . . . 294 ASP H . 26564 3 1254 . 1 1 300 300 ASP HA H 1 4.618 0.024 . 1 . . . . 294 ASP HA . 26564 3 1255 . 1 1 300 300 ASP C C 13 175.087 0.000 . 1 . . . . 294 ASP C . 26564 3 1256 . 1 1 300 300 ASP CA C 13 53.741 0.005 . 1 . . . . 294 ASP CA . 26564 3 1257 . 1 1 300 300 ASP CB C 13 41.092 0.028 . 1 . . . . 294 ASP CB . 26564 3 1258 . 1 1 300 300 ASP N N 15 119.088 0.098 . 1 . . . . 294 ASP N . 26564 3 1259 . 1 1 301 301 ILE H H 1 7.972 0.011 . 1 . . . . 295 ILE H . 26564 3 1260 . 1 1 301 301 ILE HA H 1 4.775 0.000 . 1 . . . . 295 ILE HA . 26564 3 1261 . 1 1 301 301 ILE C C 13 175.547 0.003 . 1 . . . . 295 ILE C . 26564 3 1262 . 1 1 301 301 ILE CA C 13 60.221 0.074 . 1 . . . . 295 ILE CA . 26564 3 1263 . 1 1 301 301 ILE CB C 13 39.625 0.039 . 1 . . . . 295 ILE CB . 26564 3 1264 . 1 1 301 301 ILE N N 15 120.156 0.046 . 1 . . . . 295 ILE N . 26564 3 1265 . 1 1 302 302 LEU H H 1 9.116 0.012 . 1 . . . . 296 LEU H . 26564 3 1266 . 1 1 302 302 LEU C C 13 175.034 0.008 . 1 . . . . 296 LEU C . 26564 3 1267 . 1 1 302 302 LEU CA C 13 53.270 0.040 . 1 . . . . 296 LEU CA . 26564 3 1268 . 1 1 302 302 LEU CB C 13 44.779 0.012 . 1 . . . . 296 LEU CB . 26564 3 1269 . 1 1 302 302 LEU N N 15 129.124 0.072 . 1 . . . . 296 LEU N . 26564 3 1270 . 1 1 303 303 SER H H 1 8.298 0.003 . 1 . . . . 297 SER H . 26564 3 1271 . 1 1 303 303 SER C C 13 173.537 0.080 . 1 . . . . 297 SER C . 26564 3 1272 . 1 1 303 303 SER CA C 13 56.484 0.017 . 1 . . . . 297 SER CA . 26564 3 1273 . 1 1 303 303 SER CB C 13 66.961 0.034 . 1 . . . . 297 SER CB . 26564 3 1274 . 1 1 303 303 SER N N 15 113.896 0.081 . 1 . . . . 297 SER N . 26564 3 1275 . 1 1 304 304 LYS H H 1 8.523 0.005 . 1 . . . . 298 LYS H . 26564 3 1276 . 1 1 304 304 LYS CA C 13 56.580 0.000 . 1 . . . . 298 LYS CA . 26564 3 1277 . 1 1 304 304 LYS CB C 13 35.319 0.000 . 1 . . . . 298 LYS CB . 26564 3 1278 . 1 1 304 304 LYS N N 15 122.203 0.051 . 1 . . . . 298 LYS N . 26564 3 1279 . 1 1 305 305 GLY H H 1 8.510 0.007 . 1 . . . . 299 GLY H . 26564 3 1280 . 1 1 305 305 GLY HA2 H 1 3.883 0.000 . 2 . . . . 299 GLY HA2 . 26564 3 1281 . 1 1 305 305 GLY HA3 H 1 4.513 0.000 . 2 . . . . 299 GLY HA3 . 26564 3 1282 . 1 1 305 305 GLY C C 13 172.543 0.001 . 1 . . . . 299 GLY C . 26564 3 1283 . 1 1 305 305 GLY CA C 13 45.051 0.020 . 1 . . . . 299 GLY CA . 26564 3 1284 . 1 1 305 305 GLY N N 15 113.744 0.038 . 1 . . . . 299 GLY N . 26564 3 1285 . 1 1 306 306 LYS H H 1 8.538 0.009 . 1 . . . . 300 LYS H . 26564 3 1286 . 1 1 306 306 LYS C C 13 172.912 0.004 . 1 . . . . 300 LYS C . 26564 3 1287 . 1 1 306 306 LYS CA C 13 55.755 0.018 . 1 . . . . 300 LYS CA . 26564 3 1288 . 1 1 306 306 LYS CB C 13 36.839 0.064 . 1 . . . . 300 LYS CB . 26564 3 1289 . 1 1 306 306 LYS N N 15 118.716 0.092 . 1 . . . . 300 LYS N . 26564 3 1290 . 1 1 307 307 LYS H H 1 8.041 0.007 . 1 . . . . 301 LYS H . 26564 3 1291 . 1 1 307 307 LYS HA H 1 5.185 0.000 . 1 . . . . 301 LYS HA . 26564 3 1292 . 1 1 307 307 LYS C C 13 174.978 0.037 . 1 . . . . 301 LYS C . 26564 3 1293 . 1 1 307 307 LYS CA C 13 54.031 0.014 . 1 . . . . 301 LYS CA . 26564 3 1294 . 1 1 307 307 LYS CB C 13 34.642 0.009 . 1 . . . . 301 LYS CB . 26564 3 1295 . 1 1 307 307 LYS N N 15 124.345 0.054 . 1 . . . . 301 LYS N . 26564 3 1296 . 1 1 308 308 PHE H H 1 9.114 0.005 . 1 . . . . 302 PHE H . 26564 3 1297 . 1 1 308 308 PHE HB3 H 1 2.895 0.000 . 1 . . . . 302 PHE HB3 . 26564 3 1298 . 1 1 308 308 PHE HD1 H 1 7.280 0.000 . 3 . . . . 302 PHE HD1 . 26564 3 1299 . 1 1 308 308 PHE HD2 H 1 7.280 0.000 . 3 . . . . 302 PHE HD2 . 26564 3 1300 . 1 1 308 308 PHE C C 13 175.578 0.000 . 1 . . . . 302 PHE C . 26564 3 1301 . 1 1 308 308 PHE CA C 13 56.467 0.000 . 1 . . . . 302 PHE CA . 26564 3 1302 . 1 1 308 308 PHE CB C 13 41.334 0.000 . 1 . . . . 302 PHE CB . 26564 3 1303 . 1 1 308 308 PHE N N 15 124.672 0.064 . 1 . . . . 302 PHE N . 26564 3 1304 . 1 1 310 310 HIS C C 13 174.450 0.000 . 1 . . . . 304 HIS C . 26564 3 1305 . 1 1 310 310 HIS CA C 13 53.795 0.064 . 1 . . . . 304 HIS CA . 26564 3 1306 . 1 1 311 311 GLY H H 1 8.203 0.004 . 1 . . . . 305 GLY H . 26564 3 1307 . 1 1 311 311 GLY C C 13 173.074 0.007 . 1 . . . . 305 GLY C . 26564 3 1308 . 1 1 311 311 GLY CA C 13 44.712 0.044 . 1 . . . . 305 GLY CA . 26564 3 1309 . 1 1 311 311 GLY N N 15 104.941 0.037 . 1 . . . . 305 GLY N . 26564 3 1310 . 1 1 312 312 ILE H H 1 8.374 0.002 . 1 . . . . 306 ILE H . 26564 3 1311 . 1 1 312 312 ILE C C 13 175.994 0.000 . 1 . . . . 306 ILE C . 26564 3 1312 . 1 1 312 312 ILE CA C 13 59.054 0.067 . 1 . . . . 306 ILE CA . 26564 3 1313 . 1 1 312 312 ILE CB C 13 38.519 0.000 . 1 . . . . 306 ILE CB . 26564 3 1314 . 1 1 312 312 ILE N N 15 122.380 0.059 . 1 . . . . 306 ILE N . 26564 3 1315 . 1 1 313 313 SER H H 1 8.702 0.009 . 1 . . . . 307 SER H . 26564 3 1316 . 1 1 313 313 SER C C 13 174.135 0.009 . 1 . . . . 307 SER C . 26564 3 1317 . 1 1 313 313 SER CA C 13 57.429 0.040 . 1 . . . . 307 SER CA . 26564 3 1318 . 1 1 313 313 SER CB C 13 64.467 0.000 . 1 . . . . 307 SER CB . 26564 3 1319 . 1 1 313 313 SER N N 15 125.821 0.082 . 1 . . . . 307 SER N . 26564 3 1320 . 1 1 314 314 ILE H H 1 8.631 0.010 . 1 . . . . 308 ILE H . 26564 3 1321 . 1 1 314 314 ILE C C 13 174.521 0.008 . 1 . . . . 308 ILE C . 26564 3 1322 . 1 1 314 314 ILE CA C 13 64.328 0.066 . 1 . . . . 308 ILE CA . 26564 3 1323 . 1 1 314 314 ILE CB C 13 36.536 0.036 . 1 . . . . 308 ILE CB . 26564 3 1324 . 1 1 314 314 ILE N N 15 123.098 0.084 . 1 . . . . 308 ILE N . 26564 3 1325 . 1 1 315 315 ASP H H 1 7.526 0.007 . 1 . . . . 309 ASP H . 26564 3 1326 . 1 1 315 315 ASP C C 13 179.145 0.019 . 1 . . . . 309 ASP C . 26564 3 1327 . 1 1 315 315 ASP CA C 13 56.211 0.070 . 1 . . . . 309 ASP CA . 26564 3 1328 . 1 1 315 315 ASP CB C 13 39.989 0.028 . 1 . . . . 309 ASP CB . 26564 3 1329 . 1 1 315 315 ASP N N 15 116.187 0.087 . 1 . . . . 309 ASP N . 26564 3 1330 . 1 1 316 316 ASN H H 1 7.279 0.004 . 1 . . . . 310 ASN H . 26564 3 1331 . 1 1 316 316 ASN C C 13 176.969 0.006 . 1 . . . . 310 ASN C . 26564 3 1332 . 1 1 316 316 ASN CA C 13 54.610 0.038 . 1 . . . . 310 ASN CA . 26564 3 1333 . 1 1 316 316 ASN CB C 13 38.404 0.007 . 1 . . . . 310 ASN CB . 26564 3 1334 . 1 1 316 316 ASN N N 15 116.981 0.092 . 1 . . . . 310 ASN N . 26564 3 1335 . 1 1 317 317 ALA H H 1 8.560 0.008 . 1 . . . . 311 ALA H . 26564 3 1336 . 1 1 317 317 ALA C C 13 179.530 0.007 . 1 . . . . 311 ALA C . 26564 3 1337 . 1 1 317 317 ALA CA C 13 55.276 0.040 . 1 . . . . 311 ALA CA . 26564 3 1338 . 1 1 317 317 ALA CB C 13 17.375 0.058 . 1 . . . . 311 ALA CB . 26564 3 1339 . 1 1 317 317 ALA N N 15 125.118 0.073 . 1 . . . . 311 ALA N . 26564 3 1340 . 1 1 318 318 TYR H H 1 7.508 0.007 . 1 . . . . 312 TYR H . 26564 3 1341 . 1 1 318 318 TYR C C 13 178.810 0.007 . 1 . . . . 312 TYR C . 26564 3 1342 . 1 1 318 318 TYR CA C 13 58.947 0.054 . 1 . . . . 312 TYR CA . 26564 3 1343 . 1 1 318 318 TYR CB C 13 37.008 0.003 . 1 . . . . 312 TYR CB . 26564 3 1344 . 1 1 318 318 TYR N N 15 113.644 0.040 . 1 . . . . 312 TYR N . 26564 3 1345 . 1 1 319 319 LYS H H 1 7.163 0.008 . 1 . . . . 313 LYS H . 26564 3 1346 . 1 1 319 319 LYS C C 13 178.574 0.002 . 1 . . . . 313 LYS C . 26564 3 1347 . 1 1 319 319 LYS CA C 13 58.517 0.064 . 1 . . . . 313 LYS CA . 26564 3 1348 . 1 1 319 319 LYS CB C 13 31.627 0.001 . 1 . . . . 313 LYS CB . 26564 3 1349 . 1 1 319 319 LYS N N 15 119.117 0.045 . 1 . . . . 313 LYS N . 26564 3 1350 . 1 1 320 320 VAL H H 1 8.306 0.015 . 1 . . . . 314 VAL H . 26564 3 1351 . 1 1 320 320 VAL C C 13 178.301 0.014 . 1 . . . . 314 VAL C . 26564 3 1352 . 1 1 320 320 VAL CA C 13 65.053 0.025 . 1 . . . . 314 VAL CA . 26564 3 1353 . 1 1 320 320 VAL CB C 13 31.578 0.004 . 1 . . . . 314 VAL CB . 26564 3 1354 . 1 1 320 320 VAL N N 15 119.496 0.089 . 1 . . . . 314 VAL N . 26564 3 1355 . 1 1 321 321 ALA H H 1 8.824 0.008 . 1 . . . . 315 ALA H . 26564 3 1356 . 1 1 321 321 ALA C C 13 178.677 0.012 . 1 . . . . 315 ALA C . 26564 3 1357 . 1 1 321 321 ALA CA C 13 54.544 0.045 . 1 . . . . 315 ALA CA . 26564 3 1358 . 1 1 321 321 ALA CB C 13 18.429 0.056 . 1 . . . . 315 ALA CB . 26564 3 1359 . 1 1 321 321 ALA N N 15 119.715 0.070 . 1 . . . . 315 ALA N . 26564 3 1360 . 1 1 322 322 GLU H H 1 7.594 0.007 . 1 . . . . 316 GLU H . 26564 3 1361 . 1 1 322 322 GLU C C 13 177.630 0.007 . 1 . . . . 316 GLU C . 26564 3 1362 . 1 1 322 322 GLU CA C 13 59.746 0.051 . 1 . . . . 316 GLU CA . 26564 3 1363 . 1 1 322 322 GLU CB C 13 28.151 0.014 . 1 . . . . 316 GLU CB . 26564 3 1364 . 1 1 322 322 GLU N N 15 118.249 0.091 . 1 . . . . 316 GLU N . 26564 3 1365 . 1 1 323 323 ASP H H 1 7.885 0.012 . 1 . . . . 317 ASP H . 26564 3 1366 . 1 1 323 323 ASP C C 13 179.484 0.011 . 1 . . . . 317 ASP C . 26564 3 1367 . 1 1 323 323 ASP CA C 13 57.535 0.083 . 1 . . . . 317 ASP CA . 26564 3 1368 . 1 1 323 323 ASP CB C 13 39.790 0.041 . 1 . . . . 317 ASP CB . 26564 3 1369 . 1 1 323 323 ASP N N 15 119.965 0.055 . 1 . . . . 317 ASP N . 26564 3 1370 . 1 1 324 324 LEU H H 1 8.396 0.008 . 1 . . . . 318 LEU H . 26564 3 1371 . 1 1 324 324 LEU C C 13 178.431 0.033 . 1 . . . . 318 LEU C . 26564 3 1372 . 1 1 324 324 LEU CA C 13 57.522 0.068 . 1 . . . . 318 LEU CA . 26564 3 1373 . 1 1 324 324 LEU CB C 13 40.881 0.000 . 1 . . . . 318 LEU CB . 26564 3 1374 . 1 1 324 324 LEU N N 15 120.319 0.099 . 1 . . . . 318 LEU N . 26564 3 1375 . 1 1 325 325 LEU H H 1 8.350 0.007 . 1 . . . . 319 LEU H . 26564 3 1376 . 1 1 325 325 LEU C C 13 178.265 0.036 . 1 . . . . 319 LEU C . 26564 3 1377 . 1 1 325 325 LEU CA C 13 57.577 0.030 . 1 . . . . 319 LEU CA . 26564 3 1378 . 1 1 325 325 LEU CB C 13 41.349 0.000 . 1 . . . . 319 LEU CB . 26564 3 1379 . 1 1 325 325 LEU N N 15 118.937 0.046 . 1 . . . . 319 LEU N . 26564 3 1380 . 1 1 326 326 ARG H H 1 8.426 0.011 . 1 . . . . 320 ARG H . 26564 3 1381 . 1 1 326 326 ARG C C 13 179.404 0.020 . 1 . . . . 320 ARG C . 26564 3 1382 . 1 1 326 326 ARG CA C 13 60.153 0.046 . 1 . . . . 320 ARG CA . 26564 3 1383 . 1 1 326 326 ARG CB C 13 29.219 0.022 . 1 . . . . 320 ARG CB . 26564 3 1384 . 1 1 326 326 ARG N N 15 117.052 0.074 . 1 . . . . 320 ARG N . 26564 3 1385 . 1 1 327 327 GLU H H 1 7.957 0.006 . 1 . . . . 321 GLU H . 26564 3 1386 . 1 1 327 327 GLU C C 13 180.350 0.003 . 1 . . . . 321 GLU C . 26564 3 1387 . 1 1 327 327 GLU CA C 13 59.403 0.010 . 1 . . . . 321 GLU CA . 26564 3 1388 . 1 1 327 327 GLU CB C 13 28.616 0.004 . 1 . . . . 321 GLU CB . 26564 3 1389 . 1 1 327 327 GLU N N 15 118.371 0.056 . 1 . . . . 321 GLU N . 26564 3 1390 . 1 1 328 328 LEU H H 1 8.262 0.012 . 1 . . . . 322 LEU H . 26564 3 1391 . 1 1 328 328 LEU C C 13 178.348 0.038 . 1 . . . . 322 LEU C . 26564 3 1392 . 1 1 328 328 LEU CA C 13 58.207 0.016 . 1 . . . . 322 LEU CA . 26564 3 1393 . 1 1 328 328 LEU CB C 13 40.714 0.003 . 1 . . . . 322 LEU CB . 26564 3 1394 . 1 1 328 328 LEU N N 15 121.831 0.046 . 1 . . . . 322 LEU N . 26564 3 1395 . 1 1 329 329 LEU H H 1 7.640 0.008 . 1 . . . . 323 LEU H . 26564 3 1396 . 1 1 329 329 LEU HA H 1 4.517 0.023 . 1 . . . . 323 LEU HA . 26564 3 1397 . 1 1 329 329 LEU C C 13 178.205 0.052 . 1 . . . . 323 LEU C . 26564 3 1398 . 1 1 329 329 LEU CA C 13 55.685 0.028 . 1 . . . . 323 LEU CA . 26564 3 1399 . 1 1 329 329 LEU CB C 13 40.203 0.009 . 1 . . . . 323 LEU CB . 26564 3 1400 . 1 1 329 329 LEU N N 15 115.801 0.055 . 1 . . . . 323 LEU N . 26564 3 1401 . 1 1 330 330 VAL H H 1 7.557 0.008 . 1 . . . . 324 VAL H . 26564 3 1402 . 1 1 330 330 VAL C C 13 176.800 0.011 . 1 . . . . 324 VAL C . 26564 3 1403 . 1 1 330 330 VAL CA C 13 64.241 0.011 . 1 . . . . 324 VAL CA . 26564 3 1404 . 1 1 330 330 VAL CB C 13 31.263 0.000 . 1 . . . . 324 VAL CB . 26564 3 1405 . 1 1 330 330 VAL N N 15 118.426 0.062 . 1 . . . . 324 VAL N . 26564 3 1406 . 1 1 331 331 ARG H H 1 7.488 0.011 . 1 . . . . 325 ARG H . 26564 3 1407 . 1 1 331 331 ARG C C 13 176.786 0.017 . 1 . . . . 325 ARG C . 26564 3 1408 . 1 1 331 331 ARG CA C 13 57.772 0.037 . 1 . . . . 325 ARG CA . 26564 3 1409 . 1 1 331 331 ARG CB C 13 29.327 0.037 . 1 . . . . 325 ARG CB . 26564 3 1410 . 1 1 331 331 ARG N N 15 120.156 0.132 . 1 . . . . 325 ARG N . 26564 3 1411 . 1 1 332 332 ASP H H 1 7.829 0.006 . 1 . . . . 326 ASP H . 26564 3 1412 . 1 1 332 332 ASP CA C 13 52.992 0.000 . 1 . . . . 326 ASP CA . 26564 3 1413 . 1 1 332 332 ASP CB C 13 42.196 0.000 . 1 . . . . 326 ASP CB . 26564 3 1414 . 1 1 332 332 ASP N N 15 118.538 0.088 . 1 . . . . 326 ASP N . 26564 3 1415 . 1 1 333 333 LYS C C 13 176.807 0.000 . 1 . . . . 327 LYS C . 26564 3 1416 . 1 1 333 333 LYS CA C 13 56.656 0.000 . 1 . . . . 327 LYS CA . 26564 3 1417 . 1 1 334 334 ARG H H 1 8.324 0.007 . 1 . . . . 328 ARG H . 26564 3 1418 . 1 1 334 334 ARG C C 13 176.536 0.009 . 1 . . . . 328 ARG C . 26564 3 1419 . 1 1 334 334 ARG CA C 13 56.838 0.000 . 1 . . . . 328 ARG CA . 26564 3 1420 . 1 1 334 334 ARG CB C 13 32.949 0.003 . 1 . . . . 328 ARG CB . 26564 3 1421 . 1 1 334 334 ARG N N 15 117.412 0.078 . 1 . . . . 328 ARG N . 26564 3 1422 . 1 1 335 335 ARG H H 1 8.521 0.011 . 1 . . . . 329 ARG H . 26564 3 1423 . 1 1 335 335 ARG HA H 1 4.372 0.000 . 1 . . . . 329 ARG HA . 26564 3 1424 . 1 1 335 335 ARG C C 13 175.743 0.007 . 1 . . . . 329 ARG C . 26564 3 1425 . 1 1 335 335 ARG CA C 13 57.001 0.025 . 1 . . . . 329 ARG CA . 26564 3 1426 . 1 1 335 335 ARG CB C 13 33.050 0.007 . 1 . . . . 329 ARG CB . 26564 3 1427 . 1 1 335 335 ARG N N 15 119.116 0.054 . 1 . . . . 329 ARG N . 26564 3 1428 . 1 1 336 336 ASN H H 1 8.971 0.003 . 1 . . . . 330 ASN H . 26564 3 1429 . 1 1 336 336 ASN HA H 1 4.561 0.022 . 1 . . . . 330 ASN HA . 26564 3 1430 . 1 1 336 336 ASN C C 13 174.580 0.005 . 1 . . . . 330 ASN C . 26564 3 1431 . 1 1 336 336 ASN CA C 13 52.004 0.024 . 1 . . . . 330 ASN CA . 26564 3 1432 . 1 1 336 336 ASN CB C 13 40.250 0.005 . 1 . . . . 330 ASN CB . 26564 3 1433 . 1 1 336 336 ASN N N 15 116.596 0.045 . 1 . . . . 330 ASN N . 26564 3 1434 . 1 1 337 337 VAL H H 1 8.428 0.009 . 1 . . . . 331 VAL H . 26564 3 1435 . 1 1 337 337 VAL C C 13 173.655 0.030 . 1 . . . . 331 VAL C . 26564 3 1436 . 1 1 337 337 VAL CA C 13 62.883 0.035 . 1 . . . . 331 VAL CA . 26564 3 1437 . 1 1 337 337 VAL CB C 13 31.477 0.014 . 1 . . . . 331 VAL CB . 26564 3 1438 . 1 1 337 337 VAL N N 15 122.608 0.075 . 1 . . . . 331 VAL N . 26564 3 1439 . 1 1 338 338 ARG H H 1 9.165 0.006 . 1 . . . . 332 ARG H . 26564 3 1440 . 1 1 338 338 ARG C C 13 175.714 0.002 . 1 . . . . 332 ARG C . 26564 3 1441 . 1 1 338 338 ARG CA C 13 56.138 0.048 . 1 . . . . 332 ARG CA . 26564 3 1442 . 1 1 338 338 ARG CB C 13 33.703 0.044 . 1 . . . . 332 ARG CB . 26564 3 1443 . 1 1 338 338 ARG N N 15 124.530 0.071 . 1 . . . . 332 ARG N . 26564 3 1444 . 1 1 339 339 ARG H H 1 8.347 0.009 . 1 . . . . 333 ARG H . 26564 3 1445 . 1 1 339 339 ARG HA H 1 5.162 0.000 . 1 . . . . 333 ARG HA . 26564 3 1446 . 1 1 339 339 ARG C C 13 173.010 0.011 . 1 . . . . 333 ARG C . 26564 3 1447 . 1 1 339 339 ARG CA C 13 53.865 0.028 . 1 . . . . 333 ARG CA . 26564 3 1448 . 1 1 339 339 ARG CB C 13 33.397 0.002 . 1 . . . . 333 ARG CB . 26564 3 1449 . 1 1 339 339 ARG N N 15 116.354 0.064 . 1 . . . . 333 ARG N . 26564 3 1450 . 1 1 340 340 ILE H H 1 8.915 0.007 . 1 . . . . 334 ILE H . 26564 3 1451 . 1 1 340 340 ILE HA H 1 5.552 0.006 . 1 . . . . 334 ILE HA . 26564 3 1452 . 1 1 340 340 ILE C C 13 172.478 0.009 . 1 . . . . 334 ILE C . 26564 3 1453 . 1 1 340 340 ILE CA C 13 55.833 0.017 . 1 . . . . 334 ILE CA . 26564 3 1454 . 1 1 340 340 ILE CB C 13 43.547 0.052 . 1 . . . . 334 ILE CB . 26564 3 1455 . 1 1 340 340 ILE N N 15 120.029 0.073 . 1 . . . . 334 ILE N . 26564 3 1456 . 1 1 341 341 GLY H H 1 9.258 0.018 . 1 . . . . 335 GLY H . 26564 3 1457 . 1 1 341 341 GLY HA2 H 1 4.771 0.002 . 2 . . . . 335 GLY HA2 . 26564 3 1458 . 1 1 341 341 GLY HA3 H 1 3.489 0.000 . 2 . . . . 335 GLY HA3 . 26564 3 1459 . 1 1 341 341 GLY C C 13 171.298 0.006 . 1 . . . . 335 GLY C . 26564 3 1460 . 1 1 341 341 GLY CA C 13 44.932 0.024 . 1 . . . . 335 GLY CA . 26564 3 1461 . 1 1 341 341 GLY N N 15 112.834 0.066 . 1 . . . . 335 GLY N . 26564 3 1462 . 1 1 342 342 VAL H H 1 8.207 0.008 . 1 . . . . 336 VAL H . 26564 3 1463 . 1 1 342 342 VAL HA H 1 5.311 0.006 . 1 . . . . 336 VAL HA . 26564 3 1464 . 1 1 342 342 VAL C C 13 173.303 0.027 . 1 . . . . 336 VAL C . 26564 3 1465 . 1 1 342 342 VAL CA C 13 58.584 0.015 . 1 . . . . 336 VAL CA . 26564 3 1466 . 1 1 342 342 VAL CB C 13 35.619 0.007 . 1 . . . . 336 VAL CB . 26564 3 1467 . 1 1 342 342 VAL N N 15 113.363 0.106 . 1 . . . . 336 VAL N . 26564 3 1468 . 1 1 343 343 LYS H H 1 8.690 0.008 . 1 . . . . 337 LYS H . 26564 3 1469 . 1 1 343 343 LYS C C 13 175.291 0.018 . 1 . . . . 337 LYS C . 26564 3 1470 . 1 1 343 343 LYS CA C 13 54.592 0.077 . 1 . . . . 337 LYS CA . 26564 3 1471 . 1 1 343 343 LYS CB C 13 35.794 0.000 . 1 . . . . 337 LYS CB . 26564 3 1472 . 1 1 343 343 LYS N N 15 123.066 0.075 . 1 . . . . 337 LYS N . 26564 3 1473 . 1 1 344 344 LEU H H 1 8.866 0.010 . 1 . . . . 338 LEU H . 26564 3 1474 . 1 1 344 344 LEU HA H 1 5.061 0.000 . 1 . . . . 338 LEU HA . 26564 3 1475 . 1 1 344 344 LEU C C 13 174.817 0.005 . 1 . . . . 338 LEU C . 26564 3 1476 . 1 1 344 344 LEU CA C 13 52.816 0.017 . 1 . . . . 338 LEU CA . 26564 3 1477 . 1 1 344 344 LEU CB C 13 42.035 0.011 . 1 . . . . 338 LEU CB . 26564 3 1478 . 1 1 344 344 LEU N N 15 128.477 0.115 . 1 . . . . 338 LEU N . 26564 3 1479 . 1 1 345 345 ASP H H 1 8.501 0.007 . 1 . . . . 339 ASP H . 26564 3 1480 . 1 1 345 345 ASP C C 13 174.241 0.000 . 1 . . . . 339 ASP C . 26564 3 1481 . 1 1 345 345 ASP CA C 13 52.983 0.000 . 1 . . . . 339 ASP CA . 26564 3 1482 . 1 1 345 345 ASP CB C 13 44.497 0.000 . 1 . . . . 339 ASP CB . 26564 3 1483 . 1 1 345 345 ASP N N 15 120.475 0.067 . 1 . . . . 339 ASP N . 26564 3 stop_ save_ save_Dbh_50C_Chemical_Shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Dbh_50C_Chemical_Shifts_2 _Assigned_chem_shift_list.Entry_ID 26564 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $50C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $2_2-dimethyl-2-silapentane-sulfonic_acid _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 26564 4 3 '2D 1H-15N HSQC' . . . 26564 4 4 '2D 1H-15N HSQC' . . . 26564 4 5 '2D 1H-15N HSQC' . . . 26564 4 6 '3D 1H-15N NOESY' . . . 26564 4 7 '3D HNCO' . . . 26564 4 8 '3D HNCACB' . . . 26564 4 9 '3D HN(CO)CA' . . . 26564 4 10 '3D HN(CA)CO' . . . 26564 4 13 '2D 1H-15N HSQC' . . . 26564 4 14 '2D 1H-15N HSQC' . . . 26564 4 15 '2D 1H-15N HSQC' . . . 26564 4 16 '2D 1H-15N HSQC' . . . 26564 4 18 '2D 1H-15N HSQC' . . . 26564 4 19 '2D 1H-15N HSQC' . . . 26564 4 20 '2D 1H-15N HSQC' . . . 26564 4 21 '2D 1H-15N HSQC' . . . 26564 4 22 '2D 1H-15N HSQC' . . . 26564 4 23 '2D 1H-15N HSQC' . . . 26564 4 25 '3D HNCO' . . . 26564 4 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 $NMRPipe . . 26564 4 2 $CCPNMR_Analysis . . 26564 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 103 103 ASP H H 1 8.812 0.005 . 1 . . . . 97 ASP H . 26564 4 2 . 1 1 103 103 ASP C C 13 176.698 0.000 . 1 . . . . 97 ASP C . 26564 4 3 . 1 1 103 103 ASP CA C 13 56.618 0.000 . 1 . . . . 97 ASP CA . 26564 4 4 . 1 1 103 103 ASP CB C 13 40.808 0.000 . 1 . . . . 97 ASP CB . 26564 4 5 . 1 1 103 103 ASP N N 15 121.079 0.036 . 1 . . . . 97 ASP N . 26564 4 6 . 1 1 104 104 LYS H H 1 7.522 0.003 . 1 . . . . 98 LYS H . 26564 4 7 . 1 1 104 104 LYS C C 13 174.172 0.000 . 1 . . . . 98 LYS C . 26564 4 8 . 1 1 104 104 LYS CA C 13 55.338 0.016 . 1 . . . . 98 LYS CA . 26564 4 9 . 1 1 104 104 LYS CB C 13 34.927 0.000 . 1 . . . . 98 LYS CB . 26564 4 10 . 1 1 104 104 LYS N N 15 115.523 0.054 . 1 . . . . 98 LYS N . 26564 4 11 . 1 1 106 106 GLU H H 1 9.223 0.005 . 1 . . . . 100 GLU H . 26564 4 12 . 1 1 106 106 GLU C C 13 175.286 0.000 . 1 . . . . 100 GLU C . 26564 4 13 . 1 1 106 106 GLU CA C 13 54.500 0.000 . 1 . . . . 100 GLU CA . 26564 4 14 . 1 1 106 106 GLU CB C 13 31.750 0.000 . 1 . . . . 100 GLU CB . 26564 4 15 . 1 1 106 106 GLU N N 15 127.619 0.062 . 1 . . . . 100 GLU N . 26564 4 16 . 1 1 107 107 VAL H H 1 8.826 0.002 . 1 . . . . 101 VAL H . 26564 4 17 . 1 1 107 107 VAL C C 13 175.682 0.000 . 1 . . . . 101 VAL C . 26564 4 18 . 1 1 107 107 VAL CA C 13 63.021 0.000 . 1 . . . . 101 VAL CA . 26564 4 19 . 1 1 107 107 VAL CB C 13 30.330 0.000 . 1 . . . . 101 VAL CB . 26564 4 20 . 1 1 107 107 VAL N N 15 128.399 0.083 . 1 . . . . 101 VAL N . 26564 4 21 . 1 1 108 108 ALA H H 1 8.280 0.000 . 1 . . . . 102 ALA H . 26564 4 22 . 1 1 108 108 ALA C C 13 177.261 0.000 . 1 . . . . 102 ALA C . 26564 4 23 . 1 1 108 108 ALA CA C 13 53.031 0.000 . 1 . . . . 102 ALA CA . 26564 4 24 . 1 1 108 108 ALA CB C 13 19.669 0.000 . 1 . . . . 102 ALA CB . 26564 4 25 . 1 1 108 108 ALA N N 15 133.903 0.000 . 1 . . . . 102 ALA N . 26564 4 26 . 1 1 109 109 SER H H 1 8.468 0.001 . 1 . . . . 103 SER H . 26564 4 27 . 1 1 109 109 SER CA C 13 56.420 0.000 . 1 . . . . 103 SER CA . 26564 4 28 . 1 1 109 109 SER CB C 13 63.929 0.000 . 1 . . . . 103 SER CB . 26564 4 29 . 1 1 109 109 SER N N 15 111.912 0.012 . 1 . . . . 103 SER N . 26564 4 30 . 1 1 114 114 TYR H H 1 8.941 0.007 . 1 . . . . 108 TYR H . 26564 4 31 . 1 1 114 114 TYR C C 13 174.720 0.000 . 1 . . . . 108 TYR C . 26564 4 32 . 1 1 114 114 TYR CA C 13 57.074 0.000 . 1 . . . . 108 TYR CA . 26564 4 33 . 1 1 114 114 TYR CB C 13 40.780 0.000 . 1 . . . . 108 TYR CB . 26564 4 34 . 1 1 114 114 TYR N N 15 116.003 0.092 . 1 . . . . 108 TYR N . 26564 4 35 . 1 1 115 115 LEU H H 1 10.063 0.005 . 1 . . . . 109 LEU H . 26564 4 36 . 1 1 115 115 LEU C C 13 175.817 0.000 . 1 . . . . 109 LEU C . 26564 4 37 . 1 1 115 115 LEU CA C 13 53.800 0.052 . 1 . . . . 109 LEU CA . 26564 4 38 . 1 1 115 115 LEU N N 15 122.674 0.154 . 1 . . . . 109 LEU N . 26564 4 39 . 1 1 116 116 ASP H H 1 8.663 0.005 . 1 . . . . 110 ASP H . 26564 4 40 . 1 1 116 116 ASP CA C 13 53.358 0.000 . 1 . . . . 110 ASP CA . 26564 4 41 . 1 1 116 116 ASP CB C 13 41.839 0.000 . 1 . . . . 110 ASP CB . 26564 4 42 . 1 1 116 116 ASP N N 15 122.779 0.113 . 1 . . . . 110 ASP N . 26564 4 stop_ save_