data_25985 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25985 _Entry.Title ; NMR Structure of the C-Terminal Domain of human APOBEC3B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-08 _Entry.Accession_date 2016-03-08 _Entry.Last_release_date 2016-05-31 _Entry.Original_release_date 2016-05-31 _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 'NMR Structure of the APOBEC3B Catalytic Domain: Structural Bais for Substrate Binding and DNA Deaminase Activity' _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 In-Ja Byeon . L. . . 25985 2 Chang-Hyeock Byeon . . . . 25985 3 Angela Gronenborn . M. . . 25985 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25985 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Pittsburgh' . 25985 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID A3B . 25985 CTD . 25985 NMR . 25985 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25985 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 481 25985 '15N chemical shifts' 388 25985 '1H chemical shifts' 1359 25985 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 . . 2016-07-20 2016-03-08 update BMRB 'update entry citation' 25985 1 . . 2016-05-31 2016-03-08 original author 'original release' 25985 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25985 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27163633 _Citation.Full_citation . _Citation.Title ; Nuclear Magnetic Resonance Structure of the APOBEC3B Catalytic Domain: Structural Basis for Substrate Binding and DNA Deaminase Activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 21 _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 2944 _Citation.Page_last 2959 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 In-Ja Byeon . L. . . 25985 1 2 Chang-Hyeock Byeon . . . . 25985 1 3 Tiyun Wu . . . . 25985 1 4 Mithun Mitra . . . . 25985 1 5 Dustin Singer . . . . 25985 1 6 Judith Levin . G. . . 25985 1 7 Angela Gronenborn . M. . . 25985 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID A3B 25985 1 CTD 25985 1 NMR 25985 1 Structure 25985 1 deaminase 25985 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25985 _Assembly.ID 1 _Assembly.Name 'A3B CTD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'all free' _Assembly.Molecular_mass 24409.651 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'A3B CTD' 1 $A3B-CTD A . yes native no no . . . 25985 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A3B-CTD _Entity.Sf_category entity _Entity.Sf_framecode A3B-CTD _Entity.Entry_ID 25985 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name A3B-CTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEILRYLMDPDTFTFNFNND PLVLRRRQTYLCYEVERLDN GTWVLMDQHMGFLCNEAKNL LCGFYGRHAELRFLDLVPSL QLDPAQIYRVTWFISWSPCF SWGCAGEVRAFLQENTHVRL RIFAARIYDYDPLYKEALQM LRDAGAQVSIMTYDEFEYCW DTFVYRQGCPFQPWDGLEEH SQALSGRLRAILQNQGNLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 205 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24409.651 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 186 MET . 25985 1 2 187 GLU . 25985 1 3 188 ILE . 25985 1 4 189 LEU . 25985 1 5 190 ARG . 25985 1 6 191 TYR . 25985 1 7 192 LEU . 25985 1 8 193 MET . 25985 1 9 194 ASP . 25985 1 10 195 PRO . 25985 1 11 196 ASP . 25985 1 12 197 THR . 25985 1 13 198 PHE . 25985 1 14 199 THR . 25985 1 15 200 PHE . 25985 1 16 201 ASN . 25985 1 17 202 PHE . 25985 1 18 203 ASN . 25985 1 19 204 ASN . 25985 1 20 205 ASP . 25985 1 21 206 PRO . 25985 1 22 207 LEU . 25985 1 23 208 VAL . 25985 1 24 209 LEU . 25985 1 25 210 ARG . 25985 1 26 211 ARG . 25985 1 27 212 ARG . 25985 1 28 213 GLN . 25985 1 29 214 THR . 25985 1 30 215 TYR . 25985 1 31 216 LEU . 25985 1 32 217 CYS . 25985 1 33 218 TYR . 25985 1 34 219 GLU . 25985 1 35 220 VAL . 25985 1 36 221 GLU . 25985 1 37 222 ARG . 25985 1 38 223 LEU . 25985 1 39 224 ASP . 25985 1 40 225 ASN . 25985 1 41 226 GLY . 25985 1 42 227 THR . 25985 1 43 228 TRP . 25985 1 44 229 VAL . 25985 1 45 230 LEU . 25985 1 46 231 MET . 25985 1 47 232 ASP . 25985 1 48 233 GLN . 25985 1 49 234 HIS . 25985 1 50 235 MET . 25985 1 51 236 GLY . 25985 1 52 237 PHE . 25985 1 53 238 LEU . 25985 1 54 239 CYS . 25985 1 55 240 ASN . 25985 1 56 241 GLU . 25985 1 57 242 ALA . 25985 1 58 243 LYS . 25985 1 59 244 ASN . 25985 1 60 245 LEU . 25985 1 61 246 LEU . 25985 1 62 247 CYS . 25985 1 63 248 GLY . 25985 1 64 249 PHE . 25985 1 65 250 TYR . 25985 1 66 251 GLY . 25985 1 67 252 ARG . 25985 1 68 253 HIS . 25985 1 69 254 ALA . 25985 1 70 255 GLU . 25985 1 71 256 LEU . 25985 1 72 257 ARG . 25985 1 73 258 PHE . 25985 1 74 259 LEU . 25985 1 75 260 ASP . 25985 1 76 261 LEU . 25985 1 77 262 VAL . 25985 1 78 263 PRO . 25985 1 79 264 SER . 25985 1 80 265 LEU . 25985 1 81 266 GLN . 25985 1 82 267 LEU . 25985 1 83 268 ASP . 25985 1 84 269 PRO . 25985 1 85 270 ALA . 25985 1 86 271 GLN . 25985 1 87 272 ILE . 25985 1 88 273 TYR . 25985 1 89 274 ARG . 25985 1 90 275 VAL . 25985 1 91 276 THR . 25985 1 92 277 TRP . 25985 1 93 278 PHE . 25985 1 94 279 ILE . 25985 1 95 280 SER . 25985 1 96 281 TRP . 25985 1 97 282 SER . 25985 1 98 283 PRO . 25985 1 99 284 CYS . 25985 1 100 285 PHE . 25985 1 101 286 SER . 25985 1 102 287 TRP . 25985 1 103 288 GLY . 25985 1 104 289 CYS . 25985 1 105 290 ALA . 25985 1 106 291 GLY . 25985 1 107 292 GLU . 25985 1 108 293 VAL . 25985 1 109 294 ARG . 25985 1 110 295 ALA . 25985 1 111 296 PHE . 25985 1 112 297 LEU . 25985 1 113 298 GLN . 25985 1 114 299 GLU . 25985 1 115 300 ASN . 25985 1 116 301 THR . 25985 1 117 302 HIS . 25985 1 118 303 VAL . 25985 1 119 304 ARG . 25985 1 120 305 LEU . 25985 1 121 306 ARG . 25985 1 122 307 ILE . 25985 1 123 308 PHE . 25985 1 124 309 ALA . 25985 1 125 310 ALA . 25985 1 126 311 ARG . 25985 1 127 312 ILE . 25985 1 128 313 TYR . 25985 1 129 314 ASP . 25985 1 130 315 TYR . 25985 1 131 316 ASP . 25985 1 132 317 PRO . 25985 1 133 318 LEU . 25985 1 134 319 TYR . 25985 1 135 320 LYS . 25985 1 136 321 GLU . 25985 1 137 322 ALA . 25985 1 138 323 LEU . 25985 1 139 324 GLN . 25985 1 140 325 MET . 25985 1 141 326 LEU . 25985 1 142 327 ARG . 25985 1 143 328 ASP . 25985 1 144 329 ALA . 25985 1 145 330 GLY . 25985 1 146 331 ALA . 25985 1 147 332 GLN . 25985 1 148 333 VAL . 25985 1 149 334 SER . 25985 1 150 335 ILE . 25985 1 151 336 MET . 25985 1 152 337 THR . 25985 1 153 338 TYR . 25985 1 154 339 ASP . 25985 1 155 340 GLU . 25985 1 156 341 PHE . 25985 1 157 342 GLU . 25985 1 158 343 TYR . 25985 1 159 344 CYS . 25985 1 160 345 TRP . 25985 1 161 346 ASP . 25985 1 162 347 THR . 25985 1 163 348 PHE . 25985 1 164 349 VAL . 25985 1 165 350 TYR . 25985 1 166 351 ARG . 25985 1 167 352 GLN . 25985 1 168 353 GLY . 25985 1 169 354 CYS . 25985 1 170 355 PRO . 25985 1 171 356 PHE . 25985 1 172 357 GLN . 25985 1 173 358 PRO . 25985 1 174 359 TRP . 25985 1 175 360 ASP . 25985 1 176 361 GLY . 25985 1 177 362 LEU . 25985 1 178 363 GLU . 25985 1 179 364 GLU . 25985 1 180 365 HIS . 25985 1 181 366 SER . 25985 1 182 367 GLN . 25985 1 183 368 ALA . 25985 1 184 369 LEU . 25985 1 185 370 SER . 25985 1 186 371 GLY . 25985 1 187 372 ARG . 25985 1 188 373 LEU . 25985 1 189 374 ARG . 25985 1 190 375 ALA . 25985 1 191 376 ILE . 25985 1 192 377 LEU . 25985 1 193 378 GLN . 25985 1 194 379 ASN . 25985 1 195 380 GLN . 25985 1 196 381 GLY . 25985 1 197 382 ASN . 25985 1 198 383 LEU . 25985 1 199 384 GLU . 25985 1 200 385 HIS . 25985 1 201 386 HIS . 25985 1 202 387 HIS . 25985 1 203 388 HIS . 25985 1 204 389 HIS . 25985 1 205 390 HIS . 25985 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 25985 1 . GLU 2 2 25985 1 . ILE 3 3 25985 1 . LEU 4 4 25985 1 . ARG 5 5 25985 1 . TYR 6 6 25985 1 . LEU 7 7 25985 1 . MET 8 8 25985 1 . ASP 9 9 25985 1 . PRO 10 10 25985 1 . ASP 11 11 25985 1 . THR 12 12 25985 1 . PHE 13 13 25985 1 . THR 14 14 25985 1 . PHE 15 15 25985 1 . ASN 16 16 25985 1 . PHE 17 17 25985 1 . ASN 18 18 25985 1 . ASN 19 19 25985 1 . ASP 20 20 25985 1 . PRO 21 21 25985 1 . LEU 22 22 25985 1 . VAL 23 23 25985 1 . LEU 24 24 25985 1 . ARG 25 25 25985 1 . ARG 26 26 25985 1 . ARG 27 27 25985 1 . GLN 28 28 25985 1 . THR 29 29 25985 1 . TYR 30 30 25985 1 . LEU 31 31 25985 1 . CYS 32 32 25985 1 . TYR 33 33 25985 1 . GLU 34 34 25985 1 . VAL 35 35 25985 1 . GLU 36 36 25985 1 . ARG 37 37 25985 1 . LEU 38 38 25985 1 . ASP 39 39 25985 1 . ASN 40 40 25985 1 . GLY 41 41 25985 1 . THR 42 42 25985 1 . TRP 43 43 25985 1 . VAL 44 44 25985 1 . LEU 45 45 25985 1 . MET 46 46 25985 1 . ASP 47 47 25985 1 . GLN 48 48 25985 1 . HIS 49 49 25985 1 . MET 50 50 25985 1 . GLY 51 51 25985 1 . PHE 52 52 25985 1 . LEU 53 53 25985 1 . CYS 54 54 25985 1 . ASN 55 55 25985 1 . GLU 56 56 25985 1 . ALA 57 57 25985 1 . LYS 58 58 25985 1 . ASN 59 59 25985 1 . LEU 60 60 25985 1 . LEU 61 61 25985 1 . CYS 62 62 25985 1 . GLY 63 63 25985 1 . PHE 64 64 25985 1 . TYR 65 65 25985 1 . GLY 66 66 25985 1 . ARG 67 67 25985 1 . HIS 68 68 25985 1 . ALA 69 69 25985 1 . GLU 70 70 25985 1 . LEU 71 71 25985 1 . ARG 72 72 25985 1 . PHE 73 73 25985 1 . LEU 74 74 25985 1 . ASP 75 75 25985 1 . LEU 76 76 25985 1 . VAL 77 77 25985 1 . PRO 78 78 25985 1 . SER 79 79 25985 1 . LEU 80 80 25985 1 . GLN 81 81 25985 1 . LEU 82 82 25985 1 . ASP 83 83 25985 1 . PRO 84 84 25985 1 . ALA 85 85 25985 1 . GLN 86 86 25985 1 . ILE 87 87 25985 1 . TYR 88 88 25985 1 . ARG 89 89 25985 1 . VAL 90 90 25985 1 . THR 91 91 25985 1 . TRP 92 92 25985 1 . PHE 93 93 25985 1 . ILE 94 94 25985 1 . SER 95 95 25985 1 . TRP 96 96 25985 1 . SER 97 97 25985 1 . PRO 98 98 25985 1 . CYS 99 99 25985 1 . PHE 100 100 25985 1 . SER 101 101 25985 1 . TRP 102 102 25985 1 . GLY 103 103 25985 1 . CYS 104 104 25985 1 . ALA 105 105 25985 1 . GLY 106 106 25985 1 . GLU 107 107 25985 1 . VAL 108 108 25985 1 . ARG 109 109 25985 1 . ALA 110 110 25985 1 . PHE 111 111 25985 1 . LEU 112 112 25985 1 . GLN 113 113 25985 1 . GLU 114 114 25985 1 . ASN 115 115 25985 1 . THR 116 116 25985 1 . HIS 117 117 25985 1 . VAL 118 118 25985 1 . ARG 119 119 25985 1 . LEU 120 120 25985 1 . ARG 121 121 25985 1 . ILE 122 122 25985 1 . PHE 123 123 25985 1 . ALA 124 124 25985 1 . ALA 125 125 25985 1 . ARG 126 126 25985 1 . ILE 127 127 25985 1 . TYR 128 128 25985 1 . ASP 129 129 25985 1 . TYR 130 130 25985 1 . ASP 131 131 25985 1 . PRO 132 132 25985 1 . LEU 133 133 25985 1 . TYR 134 134 25985 1 . LYS 135 135 25985 1 . GLU 136 136 25985 1 . ALA 137 137 25985 1 . LEU 138 138 25985 1 . GLN 139 139 25985 1 . MET 140 140 25985 1 . LEU 141 141 25985 1 . ARG 142 142 25985 1 . ASP 143 143 25985 1 . ALA 144 144 25985 1 . GLY 145 145 25985 1 . ALA 146 146 25985 1 . GLN 147 147 25985 1 . VAL 148 148 25985 1 . SER 149 149 25985 1 . ILE 150 150 25985 1 . MET 151 151 25985 1 . THR 152 152 25985 1 . TYR 153 153 25985 1 . ASP 154 154 25985 1 . GLU 155 155 25985 1 . PHE 156 156 25985 1 . GLU 157 157 25985 1 . TYR 158 158 25985 1 . CYS 159 159 25985 1 . TRP 160 160 25985 1 . ASP 161 161 25985 1 . THR 162 162 25985 1 . PHE 163 163 25985 1 . VAL 164 164 25985 1 . TYR 165 165 25985 1 . ARG 166 166 25985 1 . GLN 167 167 25985 1 . GLY 168 168 25985 1 . CYS 169 169 25985 1 . PRO 170 170 25985 1 . PHE 171 171 25985 1 . GLN 172 172 25985 1 . PRO 173 173 25985 1 . TRP 174 174 25985 1 . ASP 175 175 25985 1 . GLY 176 176 25985 1 . LEU 177 177 25985 1 . GLU 178 178 25985 1 . GLU 179 179 25985 1 . HIS 180 180 25985 1 . SER 181 181 25985 1 . GLN 182 182 25985 1 . ALA 183 183 25985 1 . LEU 184 184 25985 1 . SER 185 185 25985 1 . GLY 186 186 25985 1 . ARG 187 187 25985 1 . LEU 188 188 25985 1 . ARG 189 189 25985 1 . ALA 190 190 25985 1 . ILE 191 191 25985 1 . LEU 192 192 25985 1 . GLN 193 193 25985 1 . ASN 194 194 25985 1 . GLN 195 195 25985 1 . GLY 196 196 25985 1 . ASN 197 197 25985 1 . LEU 198 198 25985 1 . GLU 199 199 25985 1 . HIS 200 200 25985 1 . HIS 201 201 25985 1 . HIS 202 202 25985 1 . HIS 203 203 25985 1 . HIS 204 204 25985 1 . HIS 205 205 25985 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 25985 _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 $A3B-CTD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25985 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 25985 _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 $A3B-CTD . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli DE3 . . . . . pET21 . . . 25985 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2H_13C_15N_A3B-CTD _Sample.Sf_category sample _Sample.Sf_framecode 2H_13C_15N_A3B-CTD _Sample.Entry_ID 25985 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 A3B-CTD '[U-13C; U-15N; U-2H]' . . 1 $A3B-CTD . . 0.08 . . mM . . . . 25985 1 2 Zinc 'natural abundance' . . . . . . 0.08 . . mM . . . . 25985 1 3 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 25985 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25985 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25985 1 6 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25985 1 stop_ save_ save_13C_15N_A3B-CTD _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_A3B-CTD _Sample.Entry_ID 25985 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 A3B-CTD '[U-100% 13C; U-100% 15N]' . . 1 $A3B-CTD . . 0.08 . . mM . . . . 25985 2 2 Zinc 'natural abundance' . . . . . . 0;08 . . mM . . . . 25985 2 3 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 25985 2 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25985 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25985 2 6 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25985 2 stop_ save_ save_A3B-CTD_3 _Sample.Sf_category sample _Sample.Sf_framecode A3B-CTD_3 _Sample.Entry_ID 25985 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 A3B-CTD 'natural abundance' . . 1 $A3B-CTD . . 0.05 . . mM . . . . 25985 3 2 Zinc 'natural abundance' . . . . . . 0.05 . . mM . . . . 25985 3 3 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 25985 3 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25985 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25985 3 6 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25985 3 stop_ save_ ####################### # Sample conditions # ####################### save_H2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode H2O _Sample_condition_list.Entry_ID 25985 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM sodium phosphate, pH 6.9, 10 mM DTT, 0.02% sodium azide' 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' 25 . mM 25985 1 pH 6.9 . pH 25985 1 pressure 1 . atm 25985 1 temperature 298 . K 25985 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25985 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25985 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25985 1 'data analysis' 25985 1 'peak picking' 25985 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance_800 _NMR_spectrometer.Entry_ID 25985 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Avance_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance_900 _NMR_spectrometer.Entry_ID 25985 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_Avance_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance_700 _NMR_spectrometer.Entry_ID 25985 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_Avance_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance_600 _NMR_spectrometer.Entry_ID 25985 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25985 _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 Avance_800 Bruker Avance . 800 . . . 25985 1 2 Avance_900 Bruker Avance . 900 . . . 25985 1 3 Avance_700 Bruker Avance . 700 . . . 25985 1 4 Avance_600 Bruker Avance . 600 . . . 25985 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 25985 _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 $2H_13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 25985 1 2 '3D HNCA' no . . . . . . . . . . 2 $13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 25985 1 3 '3D HNCACB' no . . . . . . . . . . 1 $2H_13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 25985 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $2H_13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 25985 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 25985 1 6 '3D simultaneous 13C- and 15N-edited NOESY' no . . . . . . . . . . 2 $13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 2 $Avance_900 . . . . . . . . . . . . . . . . 25985 1 7 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $2H_13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 2 $Avance_900 . . . . . . . . . . . . . . . . 25985 1 8 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $2H_13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 2 $Avance_900 . . . . . . . . . . . . . . . . 25985 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $A3B-CTD_3 isotropic . . 1 $H2O . . . 2 $Avance_900 . . . . . . . . . . . . . . . . 25985 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 3 $Avance_700 . . . . . . . . . . . . . . . . 25985 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $13C_15N_A3B-CTD isotropic . . 1 $H2O . . . 4 $Avance_600 . . . . . . . . . . . . . . . . 25985 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25985 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25985 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25985 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $H2O _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 2 $13C_15N_A3B-CTD isotropic 25985 1 2 '3D HNCA' 2 $13C_15N_A3B-CTD isotropic 25985 1 3 '3D HNCACB' 1 $2H_13C_15N_A3B-CTD isotropic 25985 1 4 '3D HN(CO)CACB' 1 $2H_13C_15N_A3B-CTD isotropic 25985 1 5 '2D 1H-15N HSQC' 1 $2H_13C_15N_A3B-CTD isotropic 25985 1 6 '3D simultaneous 13C- and 15N-edited NOESY' 2 $13C_15N_A3B-CTD isotropic 25985 1 7 '3D TROSY-HNCACB' 1 $2H_13C_15N_A3B-CTD isotropic 25985 1 9 '2D 1H-1H NOESY' 3 $A3B-CTD_3 isotropic 25985 1 10 '3D HCCH-TOCSY' 2 $13C_15N_A3B-CTD isotropic 25985 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 $CcpNmr_Analysis . . 25985 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 1 1 MET HA H 1 3.985 0.01 . 1 . 1272 . . 186 MET HA . 25985 1 2 . 1 1 1 1 MET HB2 H 1 2.076 0.005 . 1 . 1275 . . 186 MET HB2 . 25985 1 3 . 1 1 1 1 MET HG3 H 1 2.551 0.009 . 1 . 1274 . . 186 MET HG3 . 25985 1 4 . 1 1 1 1 MET CA C 13 55.373 0.055 . 1 . 1273 . . 186 MET CA . 25985 1 5 . 1 1 1 1 MET CB C 13 33.632 0.053 . 1 . 1299 . . 186 MET CB . 25985 1 6 . 1 1 1 1 MET CG C 13 31.081 0.071 . 1 . 1365 . . 186 MET CG . 25985 1 7 . 1 1 2 2 GLU HA H 1 4.373 0.006 . 1 . 969 . . 187 GLU HA . 25985 1 8 . 1 1 2 2 GLU HB2 H 1 2.001 0.005 . 2 . 971 . . 187 GLU HB2 . 25985 1 9 . 1 1 2 2 GLU HB3 H 1 1.908 0.006 . 2 . 1256 . . 187 GLU HB3 . 25985 1 10 . 1 1 2 2 GLU HG2 H 1 2.259 0.004 . 2 . 1297 . . 187 GLU HG2 . 25985 1 11 . 1 1 2 2 GLU HG3 H 1 2.223 0.013 . 2 . 972 . . 187 GLU HG3 . 25985 1 12 . 1 1 2 2 GLU CA C 13 56.322 0.046 . 1 . 328 . . 187 GLU CA . 25985 1 13 . 1 1 2 2 GLU CB C 13 30.353 0.09 . 1 . 330 . . 187 GLU CB . 25985 1 14 . 1 1 2 2 GLU CG C 13 36.220 0.021 . 1 . 1296 . . 187 GLU CG . 25985 1 15 . 1 1 3 3 ILE H H 1 8.341 0.009 . 1 . 206 . . 188 ILE H . 25985 1 16 . 1 1 3 3 ILE HA H 1 4.113 0.006 . 1 . 673 . . 188 ILE HA . 25985 1 17 . 1 1 3 3 ILE HB H 1 1.800 0.007 . 1 . 970 . . 188 ILE HB . 25985 1 18 . 1 1 3 3 ILE HG12 H 1 1.457 0.008 . 2 . 976 . . 188 ILE HG12 . 25985 1 19 . 1 1 3 3 ILE HG13 H 1 1.144 0.006 . 2 . 975 . . 188 ILE HG13 . 25985 1 20 . 1 1 3 3 ILE HG21 H 1 0.843 0.005 . 1 . 967 . . 188 ILE HG21 . 25985 1 21 . 1 1 3 3 ILE HG22 H 1 0.843 0.005 . 1 . 967 . . 188 ILE HG22 . 25985 1 22 . 1 1 3 3 ILE HG23 H 1 0.843 0.005 . 1 . 967 . . 188 ILE HG23 . 25985 1 23 . 1 1 3 3 ILE HD11 H 1 0.826 0.004 . 1 . 973 . . 188 ILE HD11 . 25985 1 24 . 1 1 3 3 ILE HD12 H 1 0.826 0.004 . 1 . 973 . . 188 ILE HD12 . 25985 1 25 . 1 1 3 3 ILE HD13 H 1 0.826 0.004 . 1 . 973 . . 188 ILE HD13 . 25985 1 26 . 1 1 3 3 ILE CA C 13 61.042 0.109 . 1 . 327 . . 188 ILE CA . 25985 1 27 . 1 1 3 3 ILE CB C 13 38.727 0.076 . 1 . 329 . . 188 ILE CB . 25985 1 28 . 1 1 3 3 ILE CG1 C 13 27.428 0.058 . 1 . 977 . . 188 ILE CG1 . 25985 1 29 . 1 1 3 3 ILE CG2 C 13 17.545 0.035 . 1 . 968 . . 188 ILE CG2 . 25985 1 30 . 1 1 3 3 ILE CD1 C 13 12.840 0.03 . 1 . 974 . . 188 ILE CD1 . 25985 1 31 . 1 1 3 3 ILE N N 15 123.186 0.115 . 1 . 207 . . 188 ILE N . 25985 1 32 . 1 1 4 4 LEU H H 1 8.273 0.006 . 1 . 99 . . 189 LEU H . 25985 1 33 . 1 1 4 4 LEU HA H 1 4.336 0.006 . 1 . 674 . . 189 LEU HA . 25985 1 34 . 1 1 4 4 LEU HB2 H 1 1.466 0.002 . 2 . 1214 . . 189 LEU HB2 . 25985 1 35 . 1 1 4 4 LEU HB3 H 1 1.575 0.003 . 2 . 1211 . . 189 LEU HB3 . 25985 1 36 . 1 1 4 4 LEU HG H 1 1.522 0.003 . 1 . 1215 . . 189 LEU HG . 25985 1 37 . 1 1 4 4 LEU HD11 H 1 0.822 0.005 . 2 . 983 . . 189 LEU HD11 . 25985 1 38 . 1 1 4 4 LEU HD12 H 1 0.822 0.005 . 2 . 983 . . 189 LEU HD12 . 25985 1 39 . 1 1 4 4 LEU HD13 H 1 0.822 0.005 . 2 . 983 . . 189 LEU HD13 . 25985 1 40 . 1 1 4 4 LEU HD21 H 1 0.883 0.003 . 2 . 1213 . . 189 LEU HD21 . 25985 1 41 . 1 1 4 4 LEU HD22 H 1 0.883 0.003 . 2 . 1213 . . 189 LEU HD22 . 25985 1 42 . 1 1 4 4 LEU HD23 H 1 0.883 0.003 . 2 . 1213 . . 189 LEU HD23 . 25985 1 43 . 1 1 4 4 LEU CA C 13 55.145 0.084 . 1 . 326 . . 189 LEU CA . 25985 1 44 . 1 1 4 4 LEU CB C 13 41.776 0.202 . 1 . 1210 . . 189 LEU CB . 25985 1 45 . 1 1 4 4 LEU CG C 13 27.008 . . 1 . 1216 . . 189 LEU CG . 25985 1 46 . 1 1 4 4 LEU CD1 C 13 23.846 0.137 . 2 . 1218 . . 189 LEU CD1 . 25985 1 47 . 1 1 4 4 LEU CD2 C 13 24.535 0.018 . 2 . 1217 . . 189 LEU CD2 . 25985 1 48 . 1 1 4 4 LEU N N 15 127.223 0.07 . 1 . 100 . . 189 LEU N . 25985 1 49 . 1 1 5 5 ARG H H 1 8.082 0.005 . 1 . 73 . . 190 ARG H . 25985 1 50 . 1 1 5 5 ARG HA H 1 4.339 0.008 . 1 . 984 . . 190 ARG HA . 25985 1 51 . 1 1 5 5 ARG HB2 H 1 1.694 0.011 . 2 . 1001 . . 190 ARG HB2 . 25985 1 52 . 1 1 5 5 ARG HB3 H 1 1.732 0.005 . 2 . 1360 . . 190 ARG HB3 . 25985 1 53 . 1 1 5 5 ARG HG2 H 1 1.564 0.009 . 2 . 1361 . . 190 ARG HG2 . 25985 1 54 . 1 1 5 5 ARG HG3 H 1 1.520 0.007 . 2 . 993 . . 190 ARG HG3 . 25985 1 55 . 1 1 5 5 ARG HD2 H 1 3.149 0.005 . 1 . 995 . . 190 ARG HD2 . 25985 1 56 . 1 1 5 5 ARG CA C 13 55.539 0.072 . 1 . 542 . . 190 ARG CA . 25985 1 57 . 1 1 5 5 ARG CB C 13 31.221 0.175 . 1 . 592 . . 190 ARG CB . 25985 1 58 . 1 1 5 5 ARG CG C 13 27.126 0.087 . 1 . 994 . . 190 ARG CG . 25985 1 59 . 1 1 5 5 ARG CD C 13 43.608 0.084 . 1 . 996 . . 190 ARG CD . 25985 1 60 . 1 1 5 5 ARG N N 15 121.554 0.059 . 1 . 74 . . 190 ARG N . 25985 1 61 . 1 1 6 6 TYR H H 1 8.221 0.004 . 1 . 185 . . 191 TYR H . 25985 1 62 . 1 1 6 6 TYR HA H 1 4.739 0.008 . 1 . 985 . . 191 TYR HA . 25985 1 63 . 1 1 6 6 TYR HB2 H 1 3.143 0.005 . 2 . 1495 . . 191 TYR HB2 . 25985 1 64 . 1 1 6 6 TYR HB3 H 1 2.973 0.007 . 2 . 1305 . . 191 TYR HB3 . 25985 1 65 . 1 1 6 6 TYR HD1 H 1 7.181 0.006 . 3 . 978 . . 191 TYR HD1 . 25985 1 66 . 1 1 6 6 TYR HD2 H 1 7.181 0.006 . 3 . 978 . . 191 TYR HD2 . 25985 1 67 . 1 1 6 6 TYR CA C 13 57.280 0.018 . 1 . 594 . . 191 TYR CA . 25985 1 68 . 1 1 6 6 TYR CB C 13 38.873 0.12 . 1 . 593 . . 191 TYR CB . 25985 1 69 . 1 1 6 6 TYR N N 15 122.003 0.107 . 1 . 186 . . 191 TYR N . 25985 1 70 . 1 1 7 7 LEU H H 1 8.001 0.013 . 1 . 598 . . 192 LEU H . 25985 1 71 . 1 1 7 7 LEU HA H 1 4.542 0.001 . 1 . 990 . . 192 LEU HA . 25985 1 72 . 1 1 7 7 LEU HB2 H 1 1.010 0.013 . 2 . 1348 . . 192 LEU HB2 . 25985 1 73 . 1 1 7 7 LEU HB3 H 1 1.430 0.004 . 2 . 989 . . 192 LEU HB3 . 25985 1 74 . 1 1 7 7 LEU HG H 1 1.414 0.002 . 1 . 1347 . . 192 LEU HG . 25985 1 75 . 1 1 7 7 LEU HD11 H 1 0.764 0.005 . 2 . 1492 . . 192 LEU HD11 . 25985 1 76 . 1 1 7 7 LEU HD12 H 1 0.764 0.005 . 2 . 1492 . . 192 LEU HD12 . 25985 1 77 . 1 1 7 7 LEU HD13 H 1 0.764 0.005 . 2 . 1492 . . 192 LEU HD13 . 25985 1 78 . 1 1 7 7 LEU HD21 H 1 0.618 0.005 . 2 . 987 . . 192 LEU HD21 . 25985 1 79 . 1 1 7 7 LEU HD22 H 1 0.618 0.005 . 2 . 987 . . 192 LEU HD22 . 25985 1 80 . 1 1 7 7 LEU HD23 H 1 0.618 0.005 . 2 . 987 . . 192 LEU HD23 . 25985 1 81 . 1 1 7 7 LEU CA C 13 53.598 0.089 . 1 . 597 . . 192 LEU CA . 25985 1 82 . 1 1 7 7 LEU CB C 13 43.863 0.057 . 1 . 599 . . 192 LEU CB . 25985 1 83 . 1 1 7 7 LEU CG C 13 26.301 0.003 . 1 . 1338 . . 192 LEU CG . 25985 1 84 . 1 1 7 7 LEU CD1 C 13 26.033 0.097 . 2 . 1491 . . 192 LEU CD1 . 25985 1 85 . 1 1 7 7 LEU CD2 C 13 22.855 0.032 . 2 . 988 . . 192 LEU CD2 . 25985 1 86 . 1 1 7 7 LEU N N 15 122.178 0.138 . 1 . 596 . . 192 LEU N . 25985 1 87 . 1 1 8 8 MET H H 1 8.743 0.007 . 1 . 71 . . 193 MET H . 25985 1 88 . 1 1 8 8 MET HA H 1 4.042 0.005 . 1 . 1638 . . 193 MET HA . 25985 1 89 . 1 1 8 8 MET HB2 H 1 1.919 0.008 . 2 . 1641 . . 193 MET HB2 . 25985 1 90 . 1 1 8 8 MET HB3 H 1 1.705 0.008 . 2 . 1640 . . 193 MET HB3 . 25985 1 91 . 1 1 8 8 MET HG2 H 1 2.673 . . 2 . 1643 . . 193 MET HG2 . 25985 1 92 . 1 1 8 8 MET HG3 H 1 2.430 0.006 . 2 . 1642 . . 193 MET HG3 . 25985 1 93 . 1 1 8 8 MET HE1 H 1 1.419 0.004 . 1 . 1351 . . 193 MET HE1 . 25985 1 94 . 1 1 8 8 MET HE2 H 1 1.419 0.004 . 1 . 1351 . . 193 MET HE2 . 25985 1 95 . 1 1 8 8 MET HE3 H 1 1.419 0.004 . 1 . 1351 . . 193 MET HE3 . 25985 1 96 . 1 1 8 8 MET CA C 13 55.365 0.128 . 1 . 1639 . . 193 MET CA . 25985 1 97 . 1 1 8 8 MET CB C 13 34.406 0.049 . 1 . 595 . . 193 MET CB . 25985 1 98 . 1 1 8 8 MET CE C 13 16.762 0.118 . 1 . 1350 . . 193 MET CE . 25985 1 99 . 1 1 8 8 MET N N 15 120.699 0.058 . 1 . 72 . . 193 MET N . 25985 1 100 . 1 1 9 9 ASP H H 1 8.518 0.007 . 1 . 141 . . 194 ASP H . 25985 1 101 . 1 1 9 9 ASP HA H 1 4.862 0.005 . 1 . 1364 . . 194 ASP HA . 25985 1 102 . 1 1 9 9 ASP HB2 H 1 2.789 0.004 . 2 . 1363 . . 194 ASP HB2 . 25985 1 103 . 1 1 9 9 ASP HB3 H 1 2.876 0.006 . 2 . 1362 . . 194 ASP HB3 . 25985 1 104 . 1 1 9 9 ASP CA C 13 53.006 . . 1 . 415 . . 194 ASP CA . 25985 1 105 . 1 1 9 9 ASP CB C 13 40.882 0.115 . 1 . 416 . . 194 ASP CB . 25985 1 106 . 1 1 9 9 ASP N N 15 124.231 0.1 . 1 . 142 . . 194 ASP N . 25985 1 107 . 1 1 10 10 PRO HA H 1 4.090 0.006 . 1 . 1414 . . 195 PRO HA . 25985 1 108 . 1 1 10 10 PRO HB2 H 1 2.313 0.004 . 2 . 1413 . . 195 PRO HB2 . 25985 1 109 . 1 1 10 10 PRO HB3 H 1 2.222 0.006 . 2 . 1412 . . 195 PRO HB3 . 25985 1 110 . 1 1 10 10 PRO HG2 H 1 1.701 0.001 . 1 . 1415 . . 195 PRO HG2 . 25985 1 111 . 1 1 10 10 PRO HD2 H 1 4.021 0.001 . 2 . 1986 . . 195 PRO HD2 . 25985 1 112 . 1 1 10 10 PRO HD3 H 1 3.827 0.0 . 2 . 1985 . . 195 PRO HD3 . 25985 1 113 . 1 1 10 10 PRO CA C 13 66.433 0.079 . 1 . 589 . . 195 PRO CA . 25985 1 114 . 1 1 10 10 PRO CB C 13 32.279 0.113 . 1 . 590 . . 195 PRO CB . 25985 1 115 . 1 1 11 11 ASP H H 1 8.422 0.004 . 1 . 135 . . 196 ASP H . 25985 1 116 . 1 1 11 11 ASP HA H 1 4.569 0.01 . 1 . 1411 . . 196 ASP HA . 25985 1 117 . 1 1 11 11 ASP HB2 H 1 2.656 0.009 . 2 . 1410 . . 196 ASP HB2 . 25985 1 118 . 1 1 11 11 ASP HB3 H 1 2.741 0.006 . 2 . 1409 . . 196 ASP HB3 . 25985 1 119 . 1 1 11 11 ASP CA C 13 57.814 0.108 . 1 . 616 . . 196 ASP CA . 25985 1 120 . 1 1 11 11 ASP CB C 13 40.137 0.157 . 1 . 617 . . 196 ASP CB . 25985 1 121 . 1 1 11 11 ASP N N 15 118.037 0.101 . 1 . 136 . . 196 ASP N . 25985 1 122 . 1 1 12 12 THR H H 1 7.976 0.007 . 1 . 69 . . 197 THR H . 25985 1 123 . 1 1 12 12 THR HA H 1 3.833 0.008 . 1 . 1416 . . 197 THR HA . 25985 1 124 . 1 1 12 12 THR HB H 1 4.051 0.004 . 1 . 1417 . . 197 THR HB . 25985 1 125 . 1 1 12 12 THR HG21 H 1 0.771 0.003 . 1 . 1359 . . 197 THR HG21 . 25985 1 126 . 1 1 12 12 THR HG22 H 1 0.771 0.003 . 1 . 1359 . . 197 THR HG22 . 25985 1 127 . 1 1 12 12 THR HG23 H 1 0.771 0.003 . 1 . 1359 . . 197 THR HG23 . 25985 1 128 . 1 1 12 12 THR CA C 13 66.826 0.004 . 1 . 618 . . 197 THR CA . 25985 1 129 . 1 1 12 12 THR CB C 13 68.029 0.105 . 1 . 659 . . 197 THR CB . 25985 1 130 . 1 1 12 12 THR CG2 C 13 22.269 0.121 . 1 . 1418 . . 197 THR CG2 . 25985 1 131 . 1 1 12 12 THR N N 15 119.303 0.107 . 1 . 70 . . 197 THR N . 25985 1 132 . 1 1 13 13 PHE H H 1 8.089 0.005 . 1 . 283 . . 198 PHE H . 25985 1 133 . 1 1 13 13 PHE HA H 1 4.015 0.009 . 1 . 792 . . 198 PHE HA . 25985 1 134 . 1 1 13 13 PHE HB2 H 1 3.040 0.006 . 2 . 1419 . . 198 PHE HB2 . 25985 1 135 . 1 1 13 13 PHE HB3 H 1 3.318 0.007 . 2 . 1105 . . 198 PHE HB3 . 25985 1 136 . 1 1 13 13 PHE HD1 H 1 7.271 0.005 . 3 . 1107 . . 198 PHE HD1 . 25985 1 137 . 1 1 13 13 PHE HD2 H 1 7.271 0.005 . 3 . 1107 . . 198 PHE HD2 . 25985 1 138 . 1 1 13 13 PHE HE1 H 1 7.539 0.006 . 3 . 1108 . . 198 PHE HE1 . 25985 1 139 . 1 1 13 13 PHE HE2 H 1 7.539 0.006 . 3 . 1108 . . 198 PHE HE2 . 25985 1 140 . 1 1 13 13 PHE CA C 13 63.037 0.039 . 1 . 662 . . 198 PHE CA . 25985 1 141 . 1 1 13 13 PHE CB C 13 39.307 0.034 . 1 . 1420 . . 198 PHE CB . 25985 1 142 . 1 1 13 13 PHE N N 15 123.093 0.09 . 1 . 284 . . 198 PHE N . 25985 1 143 . 1 1 14 14 THR H H 1 9.179 0.005 . 1 . 78 . . 199 THR H . 25985 1 144 . 1 1 14 14 THR HA H 1 3.584 0.009 . 1 . 790 . . 199 THR HA . 25985 1 145 . 1 1 14 14 THR HB H 1 4.328 0.013 . 1 . 791 . . 199 THR HB . 25985 1 146 . 1 1 14 14 THR HG21 H 1 1.485 0.005 . 1 . 704 . . 199 THR HG21 . 25985 1 147 . 1 1 14 14 THR HG22 H 1 1.485 0.005 . 1 . 704 . . 199 THR HG22 . 25985 1 148 . 1 1 14 14 THR HG23 H 1 1.485 0.005 . 1 . 704 . . 199 THR HG23 . 25985 1 149 . 1 1 14 14 THR CA C 13 66.932 0.018 . 1 . 661 . . 199 THR CA . 25985 1 150 . 1 1 14 14 THR CB C 13 68.566 0.092 . 1 . 660 . . 199 THR CB . 25985 1 151 . 1 1 14 14 THR CG2 C 13 22.590 0.055 . 1 . 703 . . 199 THR CG2 . 25985 1 152 . 1 1 14 14 THR N N 15 117.234 0.136 . 1 . 79 . . 199 THR N . 25985 1 153 . 1 1 15 15 PHE H H 1 8.248 0.007 . 1 . 789 . . 200 PHE H . 25985 1 154 . 1 1 16 16 ASN H H 1 7.351 0.003 . 1 . 1656 . . 201 ASN H . 25985 1 155 . 1 1 16 16 ASN N N 15 115.822 . . 1 . 1657 . . 201 ASN N . 25985 1 156 . 1 1 17 17 PHE H H 1 8.369 0.009 . 1 . 1581 . . 202 PHE H . 25985 1 157 . 1 1 17 17 PHE HE1 H 1 6.808 0.002 . 3 . 1352 . . 202 PHE HE1 . 25985 1 158 . 1 1 17 17 PHE HE2 H 1 6.808 0.002 . 3 . 1352 . . 202 PHE HE2 . 25985 1 159 . 1 1 17 17 PHE CA C 13 59.211 . . 1 . 1584 . . 202 PHE CA . 25985 1 160 . 1 1 17 17 PHE CB C 13 38.110 . . 1 . 1583 . . 202 PHE CB . 25985 1 161 . 1 1 17 17 PHE N N 15 117.424 0.021 . 1 . 1582 . . 202 PHE N . 25985 1 162 . 1 1 18 18 ASN H H 1 5.810 0.006 . 1 . 129 . . 203 ASN H . 25985 1 163 . 1 1 18 18 ASN HA H 1 4.539 0.002 . 1 . 1442 . . 203 ASN HA . 25985 1 164 . 1 1 18 18 ASN HB3 H 1 2.395 0.002 . 1 . 1005 . . 203 ASN HB3 . 25985 1 165 . 1 1 18 18 ASN CA C 13 54.739 . . 1 . 452 . . 203 ASN CA . 25985 1 166 . 1 1 18 18 ASN CB C 13 37.257 . . 1 . 453 . . 203 ASN CB . 25985 1 167 . 1 1 18 18 ASN N N 15 114.930 0.079 . 1 . 130 . . 203 ASN N . 25985 1 168 . 1 1 19 19 ASN H H 1 7.064 0.009 . 1 . 143 . . 204 ASN H . 25985 1 169 . 1 1 19 19 ASN HB3 H 1 2.995 . . 1 . 1441 . . 204 ASN HB3 . 25985 1 170 . 1 1 19 19 ASN N N 15 124.766 0.115 . 1 . 144 . . 204 ASN N . 25985 1 171 . 1 1 21 21 PRO CA C 13 68.029 . . 1 . 569 . . 206 PRO CA . 25985 1 172 . 1 1 21 21 PRO CB C 13 33.244 . . 1 . 570 . . 206 PRO CB . 25985 1 173 . 1 1 22 22 LEU H H 1 7.882 0.006 . 1 . 222 . . 207 LEU H . 25985 1 174 . 1 1 22 22 LEU HB2 H 1 1.977 . . 2 . 1989 . . 207 LEU HB2 . 25985 1 175 . 1 1 22 22 LEU HB3 H 1 2.113 0.007 . 2 . 1123 . . 207 LEU HB3 . 25985 1 176 . 1 1 22 22 LEU HG H 1 1.614 0.003 . 1 . 1988 . . 207 LEU HG . 25985 1 177 . 1 1 22 22 LEU HD11 H 1 0.737 0.003 . 2 . 781 . . 207 LEU HD11 . 25985 1 178 . 1 1 22 22 LEU HD12 H 1 0.737 0.003 . 2 . 781 . . 207 LEU HD12 . 25985 1 179 . 1 1 22 22 LEU HD13 H 1 0.737 0.003 . 2 . 781 . . 207 LEU HD13 . 25985 1 180 . 1 1 22 22 LEU HD21 H 1 0.951 0.002 . 2 . 1987 . . 207 LEU HD21 . 25985 1 181 . 1 1 22 22 LEU HD22 H 1 0.951 0.002 . 2 . 1987 . . 207 LEU HD22 . 25985 1 182 . 1 1 22 22 LEU HD23 H 1 0.951 0.002 . 2 . 1987 . . 207 LEU HD23 . 25985 1 183 . 1 1 22 22 LEU CA C 13 58.786 . . 1 . 564 . . 207 LEU CA . 25985 1 184 . 1 1 22 22 LEU CB C 13 40.862 0.158 . 1 . 565 . . 207 LEU CB . 25985 1 185 . 1 1 22 22 LEU N N 15 118.686 0.056 . 1 . 223 . . 207 LEU N . 25985 1 186 . 1 1 26 26 ARG CA C 13 54.305 . . 1 . 2003 . . 211 ARG CA . 25985 1 187 . 1 1 27 27 ARG H H 1 8.873 0.006 . 1 . 1999 . . 212 ARG H . 25985 1 188 . 1 1 27 27 ARG CA C 13 59.095 0.09 . 1 . 2002 . . 212 ARG CA . 25985 1 189 . 1 1 27 27 ARG CB C 13 29.643 . . 1 . 2001 . . 212 ARG CB . 25985 1 190 . 1 1 27 27 ARG N N 15 120.018 0.065 . 1 . 2000 . . 212 ARG N . 25985 1 191 . 1 1 28 28 GLN H H 1 7.945 0.003 . 1 . 2039 . . 213 GLN H . 25985 1 192 . 1 1 28 28 GLN HA H 1 3.690 0.006 . 1 . 1400 . . 213 GLN HA . 25985 1 193 . 1 1 28 28 GLN HB2 H 1 1.922 0.004 . 2 . 1406 . . 213 GLN HB2 . 25985 1 194 . 1 1 28 28 GLN HB3 H 1 2.020 0.004 . 2 . 1402 . . 213 GLN HB3 . 25985 1 195 . 1 1 28 28 GLN HG2 H 1 1.596 0.005 . 2 . 1401 . . 213 GLN HG2 . 25985 1 196 . 1 1 28 28 GLN HG3 H 1 1.513 0.004 . 2 . 1399 . . 213 GLN HG3 . 25985 1 197 . 1 1 28 28 GLN HE21 H 1 7.450 0.004 . 1 . 1403 . . 213 GLN HE21 . 25985 1 198 . 1 1 28 28 GLN HE22 H 1 6.800 0.004 . 1 . 1405 . . 213 GLN HE22 . 25985 1 199 . 1 1 28 28 GLN CA C 13 56.972 0.0 . 1 . 1408 . . 213 GLN CA . 25985 1 200 . 1 1 28 28 GLN CB C 13 28.113 0.0 . 1 . 1407 . . 213 GLN CB . 25985 1 201 . 1 1 28 28 GLN CG C 13 34.738 0.014 . 1 . 1398 . . 213 GLN CG . 25985 1 202 . 1 1 28 28 GLN N N 15 120.931 0.011 . 1 . 2040 . . 213 GLN N . 25985 1 203 . 1 1 28 28 GLN NE2 N 15 112.549 0.009 . 1 . 1404 . . 213 GLN NE2 . 25985 1 204 . 1 1 29 29 THR H H 1 8.478 0.017 . 1 . 1437 . . 214 THR H . 25985 1 205 . 1 1 29 29 THR HG21 H 1 0.762 0.007 . 1 . 768 . . 214 THR HG21 . 25985 1 206 . 1 1 29 29 THR HG22 H 1 0.762 0.007 . 1 . 768 . . 214 THR HG22 . 25985 1 207 . 1 1 29 29 THR HG23 H 1 0.762 0.007 . 1 . 768 . . 214 THR HG23 . 25985 1 208 . 1 1 29 29 THR N N 15 118.340 0.019 . 1 . 1438 . . 214 THR N . 25985 1 209 . 1 1 30 30 TYR H H 1 8.239 0.016 . 1 . 1444 . . 215 TYR H . 25985 1 210 . 1 1 30 30 TYR HA H 1 4.823 0.001 . 1 . 1429 . . 215 TYR HA . 25985 1 211 . 1 1 30 30 TYR HB3 H 1 2.488 0.007 . 1 . 1430 . . 215 TYR HB3 . 25985 1 212 . 1 1 30 30 TYR HD1 H 1 6.791 0.006 . 3 . 1353 . . 215 TYR HD1 . 25985 1 213 . 1 1 30 30 TYR HD2 H 1 6.791 0.006 . 3 . 1353 . . 215 TYR HD2 . 25985 1 214 . 1 1 30 30 TYR HE1 H 1 6.649 0.007 . 3 . 1354 . . 215 TYR HE1 . 25985 1 215 . 1 1 30 30 TYR HE2 H 1 6.649 0.007 . 3 . 1354 . . 215 TYR HE2 . 25985 1 216 . 1 1 30 30 TYR CA C 13 57.681 . . 1 . 539 . . 215 TYR CA . 25985 1 217 . 1 1 30 30 TYR CB C 13 43.837 . . 1 . 538 . . 215 TYR CB . 25985 1 218 . 1 1 30 30 TYR N N 15 122.737 0.017 . 1 . 1445 . . 215 TYR N . 25985 1 219 . 1 1 31 31 LEU H H 1 9.149 0.008 . 1 . 250 . . 216 LEU H . 25985 1 220 . 1 1 31 31 LEU HA H 1 4.972 0.011 . 1 . 770 . . 216 LEU HA . 25985 1 221 . 1 1 31 31 LEU HB2 H 1 0.912 0.003 . 2 . 778 . . 216 LEU HB2 . 25985 1 222 . 1 1 31 31 LEU HB3 H 1 1.529 0.009 . 2 . 777 . . 216 LEU HB3 . 25985 1 223 . 1 1 31 31 LEU HG H 1 0.784 0.005 . 1 . 779 . . 216 LEU HG . 25985 1 224 . 1 1 31 31 LEU HD11 H 1 -0.102 0.005 . 2 . 771 . . 216 LEU HD11 . 25985 1 225 . 1 1 31 31 LEU HD12 H 1 -0.102 0.005 . 2 . 771 . . 216 LEU HD12 . 25985 1 226 . 1 1 31 31 LEU HD13 H 1 -0.102 0.005 . 2 . 771 . . 216 LEU HD13 . 25985 1 227 . 1 1 31 31 LEU HD21 H 1 -0.380 0.005 . 2 . 769 . . 216 LEU HD21 . 25985 1 228 . 1 1 31 31 LEU HD22 H 1 -0.380 0.005 . 2 . 769 . . 216 LEU HD22 . 25985 1 229 . 1 1 31 31 LEU HD23 H 1 -0.380 0.005 . 2 . 769 . . 216 LEU HD23 . 25985 1 230 . 1 1 31 31 LEU CA C 13 54.548 0.181 . 1 . 540 . . 216 LEU CA . 25985 1 231 . 1 1 31 31 LEU CB C 13 46.479 0.322 . 1 . 541 . . 216 LEU CB . 25985 1 232 . 1 1 31 31 LEU CG C 13 26.735 0.182 . 1 . 961 . . 216 LEU CG . 25985 1 233 . 1 1 31 31 LEU CD1 C 13 24.075 0.156 . 2 . 773 . . 216 LEU CD1 . 25985 1 234 . 1 1 31 31 LEU CD2 C 13 25.860 0.123 . 2 . 772 . . 216 LEU CD2 . 25985 1 235 . 1 1 31 31 LEU N N 15 126.552 0.091 . 1 . 251 . . 216 LEU N . 25985 1 236 . 1 1 32 32 CYS H H 1 9.616 0.01 . 1 . 248 . . 217 CYS H . 25985 1 237 . 1 1 32 32 CYS HA H 1 5.005 0.004 . 1 . 1433 . . 217 CYS HA . 25985 1 238 . 1 1 32 32 CYS HB2 H 1 1.196 0.01 . 2 . 1432 . . 217 CYS HB2 . 25985 1 239 . 1 1 32 32 CYS HB3 H 1 2.681 0.004 . 2 . 1431 . . 217 CYS HB3 . 25985 1 240 . 1 1 32 32 CYS CA C 13 57.664 0.115 . 1 . 374 . . 217 CYS CA . 25985 1 241 . 1 1 32 32 CYS CB C 13 27.511 0.109 . 1 . 373 . . 217 CYS CB . 25985 1 242 . 1 1 32 32 CYS N N 15 126.038 0.03 . 1 . 249 . . 217 CYS N . 25985 1 243 . 1 1 33 33 TYR H H 1 9.008 0.005 . 1 . 296 . . 218 TYR H . 25985 1 244 . 1 1 33 33 TYR HA H 1 6.441 0.004 . 1 . 878 . . 218 TYR HA . 25985 1 245 . 1 1 33 33 TYR HB2 H 1 2.433 0.006 . 2 . 1146 . . 218 TYR HB2 . 25985 1 246 . 1 1 33 33 TYR HB3 H 1 2.892 0.009 . 2 . 1147 . . 218 TYR HB3 . 25985 1 247 . 1 1 33 33 TYR HD1 H 1 6.823 0.005 . 3 . 1434 . . 218 TYR HD1 . 25985 1 248 . 1 1 33 33 TYR HD2 H 1 6.823 0.005 . 3 . 1434 . . 218 TYR HD2 . 25985 1 249 . 1 1 33 33 TYR HE1 H 1 6.443 0.004 . 3 . 1474 . . 218 TYR HE1 . 25985 1 250 . 1 1 33 33 TYR HE2 H 1 6.443 0.004 . 3 . 1474 . . 218 TYR HE2 . 25985 1 251 . 1 1 33 33 TYR CA C 13 54.932 0.037 . 1 . 436 . . 218 TYR CA . 25985 1 252 . 1 1 33 33 TYR CB C 13 43.793 . . 1 . 435 . . 218 TYR CB . 25985 1 253 . 1 1 33 33 TYR N N 15 121.248 0.063 . 1 . 297 . . 218 TYR N . 25985 1 254 . 1 1 34 34 GLU H H 1 8.663 0.007 . 1 . 216 . . 219 GLU H . 25985 1 255 . 1 1 34 34 GLU HA H 1 5.683 0.003 . 1 . 855 . . 219 GLU HA . 25985 1 256 . 1 1 34 34 GLU HB2 H 1 2.213 0.007 . 2 . 856 . . 219 GLU HB2 . 25985 1 257 . 1 1 34 34 GLU HB3 H 1 1.966 0.011 . 2 . 857 . . 219 GLU HB3 . 25985 1 258 . 1 1 34 34 GLU HG2 H 1 2.533 0.005 . 2 . 859 . . 219 GLU HG2 . 25985 1 259 . 1 1 34 34 GLU HG3 H 1 2.649 0.002 . 2 . 858 . . 219 GLU HG3 . 25985 1 260 . 1 1 34 34 GLU CA C 13 54.434 0.151 . 1 . 666 . . 219 GLU CA . 25985 1 261 . 1 1 34 34 GLU CB C 13 32.888 0.012 . 1 . 621 . . 219 GLU CB . 25985 1 262 . 1 1 34 34 GLU N N 15 112.301 0.051 . 1 . 217 . . 219 GLU N . 25985 1 263 . 1 1 35 35 VAL H H 1 8.003 0.007 . 1 . 191 . . 220 VAL H . 25985 1 264 . 1 1 35 35 VAL HA H 1 5.144 0.008 . 1 . 862 . . 220 VAL HA . 25985 1 265 . 1 1 35 35 VAL HB H 1 2.456 0.007 . 1 . 863 . . 220 VAL HB . 25985 1 266 . 1 1 35 35 VAL HG11 H 1 1.233 0.008 . 2 . 864 . . 220 VAL HG11 . 25985 1 267 . 1 1 35 35 VAL HG12 H 1 1.233 0.008 . 2 . 864 . . 220 VAL HG12 . 25985 1 268 . 1 1 35 35 VAL HG13 H 1 1.233 0.008 . 2 . 864 . . 220 VAL HG13 . 25985 1 269 . 1 1 35 35 VAL HG21 H 1 1.313 0.004 . 2 . 860 . . 220 VAL HG21 . 25985 1 270 . 1 1 35 35 VAL HG22 H 1 1.313 0.004 . 2 . 860 . . 220 VAL HG22 . 25985 1 271 . 1 1 35 35 VAL HG23 H 1 1.313 0.004 . 2 . 860 . . 220 VAL HG23 . 25985 1 272 . 1 1 35 35 VAL CA C 13 61.950 0.034 . 1 . 619 . . 220 VAL CA . 25985 1 273 . 1 1 35 35 VAL CB C 13 35.374 0.137 . 1 . 620 . . 220 VAL CB . 25985 1 274 . 1 1 35 35 VAL CG1 C 13 22.996 0.122 . 2 . 865 . . 220 VAL CG1 . 25985 1 275 . 1 1 35 35 VAL CG2 C 13 21.633 0.099 . 2 . 861 . . 220 VAL CG2 . 25985 1 276 . 1 1 35 35 VAL N N 15 119.530 0.054 . 1 . 192 . . 220 VAL N . 25985 1 277 . 1 1 36 36 GLU H H 1 9.218 0.007 . 1 . 105 . . 221 GLU H . 25985 1 278 . 1 1 36 36 GLU HA H 1 5.421 0.006 . 1 . 788 . . 221 GLU HA . 25985 1 279 . 1 1 36 36 GLU HB2 H 1 2.002 0.003 . 1 . 1446 . . 221 GLU HB2 . 25985 1 280 . 1 1 36 36 GLU HG3 H 1 2.217 0.002 . 1 . 1610 . . 221 GLU HG3 . 25985 1 281 . 1 1 36 36 GLU CA C 13 53.864 . . 1 . 647 . . 221 GLU CA . 25985 1 282 . 1 1 36 36 GLU CB C 13 36.044 . . 1 . 527 . . 221 GLU CB . 25985 1 283 . 1 1 36 36 GLU N N 15 124.066 0.004 . 1 . 106 . . 221 GLU N . 25985 1 284 . 1 1 37 37 ARG H H 1 9.498 0.008 . 1 . 131 . . 222 ARG H . 25985 1 285 . 1 1 37 37 ARG HA H 1 5.287 0.005 . 1 . 900 . . 222 ARG HA . 25985 1 286 . 1 1 37 37 ARG HB2 H 1 1.976 0.005 . 1 . 1447 . . 222 ARG HB2 . 25985 1 287 . 1 1 37 37 ARG HG3 H 1 1.197 0.004 . 1 . 1448 . . 222 ARG HG3 . 25985 1 288 . 1 1 37 37 ARG CA C 13 54.071 0.081 . 1 . 529 . . 222 ARG CA . 25985 1 289 . 1 1 37 37 ARG CB C 13 33.632 0.161 . 1 . 528 . . 222 ARG CB . 25985 1 290 . 1 1 37 37 ARG N N 15 123.148 0.194 . 1 . 132 . . 222 ARG N . 25985 1 291 . 1 1 38 38 LEU H H 1 8.494 0.007 . 1 . 260 . . 223 LEU H . 25985 1 292 . 1 1 38 38 LEU HA H 1 4.860 0.008 . 1 . 757 . . 223 LEU HA . 25985 1 293 . 1 1 38 38 LEU HB3 H 1 1.505 0.007 . 1 . 1207 . . 223 LEU HB3 . 25985 1 294 . 1 1 38 38 LEU HG H 1 0.692 0.004 . 1 . 695 . . 223 LEU HG . 25985 1 295 . 1 1 38 38 LEU HD11 H 1 0.382 0.006 . 2 . 692 . . 223 LEU HD11 . 25985 1 296 . 1 1 38 38 LEU HD12 H 1 0.382 0.006 . 2 . 692 . . 223 LEU HD12 . 25985 1 297 . 1 1 38 38 LEU HD13 H 1 0.382 0.006 . 2 . 692 . . 223 LEU HD13 . 25985 1 298 . 1 1 38 38 LEU HD21 H 1 -0.839 0.005 . 2 . 691 . . 223 LEU HD21 . 25985 1 299 . 1 1 38 38 LEU HD22 H 1 -0.839 0.005 . 2 . 691 . . 223 LEU HD22 . 25985 1 300 . 1 1 38 38 LEU HD23 H 1 -0.839 0.005 . 2 . 691 . . 223 LEU HD23 . 25985 1 301 . 1 1 38 38 LEU CA C 13 54.561 0.174 . 1 . 575 . . 223 LEU CA . 25985 1 302 . 1 1 38 38 LEU CB C 13 40.366 0.15 . 1 . 576 . . 223 LEU CB . 25985 1 303 . 1 1 38 38 LEU CG C 13 26.327 0.08 . 1 . 694 . . 223 LEU CG . 25985 1 304 . 1 1 38 38 LEU CD1 C 13 25.709 0.064 . 2 . 693 . . 223 LEU CD1 . 25985 1 305 . 1 1 38 38 LEU CD2 C 13 20.310 0.11 . 2 . 690 . . 223 LEU CD2 . 25985 1 306 . 1 1 38 38 LEU N N 15 128.146 0.073 . 1 . 261 . . 223 LEU N . 25985 1 307 . 1 1 39 39 ASP H H 1 9.028 0.006 . 1 . 572 . . 224 ASP H . 25985 1 308 . 1 1 39 39 ASP HA H 1 4.843 0.007 . 1 . 951 . . 224 ASP HA . 25985 1 309 . 1 1 39 39 ASP HB2 H 1 2.363 0.007 . 2 . 759 . . 224 ASP HB2 . 25985 1 310 . 1 1 39 39 ASP HB3 H 1 2.687 0.006 . 2 . 758 . . 224 ASP HB3 . 25985 1 311 . 1 1 39 39 ASP CA C 13 52.714 0.102 . 1 . 366 . . 224 ASP CA . 25985 1 312 . 1 1 39 39 ASP CB C 13 42.266 0.163 . 1 . 574 . . 224 ASP CB . 25985 1 313 . 1 1 39 39 ASP N N 15 130.257 0.054 . 1 . 573 . . 224 ASP N . 25985 1 314 . 1 1 40 40 ASN H H 1 9.225 0.007 . 1 . 369 . . 225 ASN H . 25985 1 315 . 1 1 40 40 ASN HA H 1 4.206 0.007 . 1 . 1152 . . 225 ASN HA . 25985 1 316 . 1 1 40 40 ASN HB2 H 1 2.977 0.005 . 2 . 1288 . . 225 ASN HB2 . 25985 1 317 . 1 1 40 40 ASN HB3 H 1 2.578 0.006 . 2 . 1153 . . 225 ASN HB3 . 25985 1 318 . 1 1 40 40 ASN HD21 H 1 7.602 0.004 . 1 . 1453 . . 225 ASN HD21 . 25985 1 319 . 1 1 40 40 ASN HD22 H 1 6.811 0.007 . 1 . 1452 . . 225 ASN HD22 . 25985 1 320 . 1 1 40 40 ASN CA C 13 54.147 0.079 . 1 . 722 . . 225 ASN CA . 25985 1 321 . 1 1 40 40 ASN CB C 13 37.422 0.141 . 1 . 721 . . 225 ASN CB . 25985 1 322 . 1 1 40 40 ASN N N 15 124.549 0.15 . 1 . 92 . . 225 ASN N . 25985 1 323 . 1 1 40 40 ASN ND2 N 15 113.323 0.014 . 1 . 1454 . . 225 ASN ND2 . 25985 1 324 . 1 1 41 41 GLY H H 1 7.920 0.006 . 1 . 364 . . 226 GLY H . 25985 1 325 . 1 1 41 41 GLY HA2 H 1 3.251 0.012 . 2 . 1151 . . 226 GLY HA2 . 25985 1 326 . 1 1 41 41 GLY HA3 H 1 4.045 0.008 . 2 . 1150 . . 226 GLY HA3 . 25985 1 327 . 1 1 41 41 GLY CA C 13 45.428 0.136 . 1 . 426 . . 226 GLY CA . 25985 1 328 . 1 1 41 41 GLY N N 15 102.231 0.099 . 1 . 365 . . 226 GLY N . 25985 1 329 . 1 1 42 42 THR H H 1 7.533 0.007 . 1 . 147 . . 227 THR H . 25985 1 330 . 1 1 42 42 THR HA H 1 4.335 0.008 . 1 . 726 . . 227 THR HA . 25985 1 331 . 1 1 42 42 THR HB H 1 3.947 0.01 . 1 . 725 . . 227 THR HB . 25985 1 332 . 1 1 42 42 THR HG21 H 1 1.154 0.006 . 1 . 689 . . 227 THR HG21 . 25985 1 333 . 1 1 42 42 THR HG22 H 1 1.154 0.006 . 1 . 689 . . 227 THR HG22 . 25985 1 334 . 1 1 42 42 THR HG23 H 1 1.154 0.006 . 1 . 689 . . 227 THR HG23 . 25985 1 335 . 1 1 42 42 THR CA C 13 60.514 0.141 . 1 . 723 . . 227 THR CA . 25985 1 336 . 1 1 42 42 THR CB C 13 71.353 0.074 . 1 . 724 . . 227 THR CB . 25985 1 337 . 1 1 42 42 THR CG2 C 13 21.250 0.105 . 1 . 930 . . 227 THR CG2 . 25985 1 338 . 1 1 42 42 THR N N 15 117.201 0.103 . 1 . 148 . . 227 THR N . 25985 1 339 . 1 1 43 43 TRP H H 1 8.345 0.006 . 1 . 25 . . 228 TRP H . 25985 1 340 . 1 1 43 43 TRP HA H 1 3.889 0.005 . 1 . 840 . . 228 TRP HA . 25985 1 341 . 1 1 43 43 TRP HB2 H 1 2.856 0.005 . 2 . 933 . . 228 TRP HB2 . 25985 1 342 . 1 1 43 43 TRP HB3 H 1 2.943 0.004 . 2 . 932 . . 228 TRP HB3 . 25985 1 343 . 1 1 43 43 TRP HD1 H 1 7.164 0.002 . 1 . 747 . . 228 TRP HD1 . 25985 1 344 . 1 1 43 43 TRP HE1 H 1 9.868 0.006 . 1 . 746 . . 228 TRP HE1 . 25985 1 345 . 1 1 43 43 TRP HE3 H 1 6.932 0.004 . 1 . 980 . . 228 TRP HE3 . 25985 1 346 . 1 1 43 43 TRP HZ2 H 1 7.273 0.004 . 1 . 748 . . 228 TRP HZ2 . 25985 1 347 . 1 1 43 43 TRP HZ3 H 1 6.730 0.006 . 1 . 954 . . 228 TRP HZ3 . 25985 1 348 . 1 1 43 43 TRP HH2 H 1 6.719 0.002 . 1 . 784 . . 228 TRP HH2 . 25985 1 349 . 1 1 43 43 TRP CA C 13 56.637 0.162 . 1 . 301 . . 228 TRP CA . 25985 1 350 . 1 1 43 43 TRP CB C 13 30.090 0.129 . 1 . 302 . . 228 TRP CB . 25985 1 351 . 1 1 43 43 TRP N N 15 126.145 0.115 . 1 . 26 . . 228 TRP N . 25985 1 352 . 1 1 43 43 TRP NE1 N 15 127.933 0.033 . 1 . 783 . . 228 TRP NE1 . 25985 1 353 . 1 1 44 44 VAL H H 1 9.665 0.01 . 1 . 82 . . 229 VAL H . 25985 1 354 . 1 1 44 44 VAL HA H 1 4.454 0.006 . 1 . 699 . . 229 VAL HA . 25985 1 355 . 1 1 44 44 VAL HB H 1 2.173 0.005 . 1 . 700 . . 229 VAL HB . 25985 1 356 . 1 1 44 44 VAL HG11 H 1 1.040 0.007 . 2 . 698 . . 229 VAL HG11 . 25985 1 357 . 1 1 44 44 VAL HG12 H 1 1.040 0.007 . 2 . 698 . . 229 VAL HG12 . 25985 1 358 . 1 1 44 44 VAL HG13 H 1 1.040 0.007 . 2 . 698 . . 229 VAL HG13 . 25985 1 359 . 1 1 44 44 VAL HG21 H 1 1.072 0.007 . 2 . 1202 . . 229 VAL HG21 . 25985 1 360 . 1 1 44 44 VAL HG22 H 1 1.072 0.007 . 2 . 1202 . . 229 VAL HG22 . 25985 1 361 . 1 1 44 44 VAL HG23 H 1 1.072 0.007 . 2 . 1202 . . 229 VAL HG23 . 25985 1 362 . 1 1 44 44 VAL CA C 13 61.580 0.114 . 1 . 300 . . 229 VAL CA . 25985 1 363 . 1 1 44 44 VAL CB C 13 34.168 0.116 . 1 . 303 . . 229 VAL CB . 25985 1 364 . 1 1 44 44 VAL CG1 C 13 21.071 0.043 . 2 . 697 . . 229 VAL CG1 . 25985 1 365 . 1 1 44 44 VAL CG2 C 13 21.508 0.038 . 2 . 696 . . 229 VAL CG2 . 25985 1 366 . 1 1 44 44 VAL N N 15 126.841 0.055 . 1 . 83 . . 229 VAL N . 25985 1 367 . 1 1 45 45 LEU H H 1 8.813 0.005 . 1 . 208 . . 230 LEU H . 25985 1 368 . 1 1 45 45 LEU HA H 1 4.254 0.006 . 1 . 941 . . 230 LEU HA . 25985 1 369 . 1 1 45 45 LEU HB3 H 1 1.813 0.006 . 1 . 1112 . . 230 LEU HB3 . 25985 1 370 . 1 1 45 45 LEU HG H 1 1.478 0.005 . 1 . 1339 . . 230 LEU HG . 25985 1 371 . 1 1 45 45 LEU HD11 H 1 0.984 0.003 . 2 . 939 . . 230 LEU HD11 . 25985 1 372 . 1 1 45 45 LEU HD12 H 1 0.984 0.003 . 2 . 939 . . 230 LEU HD12 . 25985 1 373 . 1 1 45 45 LEU HD13 H 1 0.984 0.003 . 2 . 939 . . 230 LEU HD13 . 25985 1 374 . 1 1 45 45 LEU HD21 H 1 0.975 0.002 . 2 . 937 . . 230 LEU HD21 . 25985 1 375 . 1 1 45 45 LEU HD22 H 1 0.975 0.002 . 2 . 937 . . 230 LEU HD22 . 25985 1 376 . 1 1 45 45 LEU HD23 H 1 0.975 0.002 . 2 . 937 . . 230 LEU HD23 . 25985 1 377 . 1 1 45 45 LEU CA C 13 56.916 0.062 . 1 . 714 . . 230 LEU CA . 25985 1 378 . 1 1 45 45 LEU CB C 13 42.154 0.056 . 1 . 713 . . 230 LEU CB . 25985 1 379 . 1 1 45 45 LEU CG C 13 27.280 0.025 . 1 . 1340 . . 230 LEU CG . 25985 1 380 . 1 1 45 45 LEU CD1 C 13 23.084 0.056 . 2 . 940 . . 230 LEU CD1 . 25985 1 381 . 1 1 45 45 LEU CD2 C 13 25.745 0.047 . 2 . 938 . . 230 LEU CD2 . 25985 1 382 . 1 1 45 45 LEU N N 15 129.538 0.051 . 1 . 209 . . 230 LEU N . 25985 1 383 . 1 1 46 46 MET H H 1 9.058 0.006 . 1 . 252 . . 231 MET H . 25985 1 384 . 1 1 46 46 MET HA H 1 4.759 0.006 . 1 . 950 . . 231 MET HA . 25985 1 385 . 1 1 46 46 MET HB2 H 1 2.161 0.001 . 2 . 1455 . . 231 MET HB2 . 25985 1 386 . 1 1 46 46 MET HB3 H 1 2.010 0.003 . 2 . 1456 . . 231 MET HB3 . 25985 1 387 . 1 1 46 46 MET HG2 H 1 2.613 0.005 . 2 . 947 . . 231 MET HG2 . 25985 1 388 . 1 1 46 46 MET HG3 H 1 2.744 0.001 . 2 . 946 . . 231 MET HG3 . 25985 1 389 . 1 1 46 46 MET HE1 H 1 2.221 0.005 . 1 . 944 . . 231 MET HE1 . 25985 1 390 . 1 1 46 46 MET HE2 H 1 2.221 0.005 . 1 . 944 . . 231 MET HE2 . 25985 1 391 . 1 1 46 46 MET HE3 H 1 2.221 0.005 . 1 . 944 . . 231 MET HE3 . 25985 1 392 . 1 1 46 46 MET CA C 13 55.106 0.032 . 1 . 450 . . 231 MET CA . 25985 1 393 . 1 1 46 46 MET CB C 13 31.724 . . 1 . 449 . . 231 MET CB . 25985 1 394 . 1 1 46 46 MET CE C 13 17.199 0.091 . 1 . 945 . . 231 MET CE . 25985 1 395 . 1 1 46 46 MET N N 15 127.108 0.039 . 1 . 253 . . 231 MET N . 25985 1 396 . 1 1 47 47 ASP H H 1 8.453 0.004 . 1 . 47 . . 232 ASP H . 25985 1 397 . 1 1 47 47 ASP HA H 1 4.371 0.009 . 1 . 1458 . . 232 ASP HA . 25985 1 398 . 1 1 47 47 ASP HB3 H 1 2.724 0.006 . 1 . 1457 . . 232 ASP HB3 . 25985 1 399 . 1 1 47 47 ASP CA C 13 56.876 . . 1 . 378 . . 232 ASP CA . 25985 1 400 . 1 1 47 47 ASP CB C 13 40.487 0.115 . 1 . 376 . . 232 ASP CB . 25985 1 401 . 1 1 47 47 ASP N N 15 123.525 0.072 . 1 . 48 . . 232 ASP N . 25985 1 402 . 1 1 48 48 GLN H H 1 9.256 0.005 . 1 . 204 . . 233 GLN H . 25985 1 403 . 1 1 48 48 GLN HA H 1 4.294 0.009 . 1 . 1054 . . 233 GLN HA . 25985 1 404 . 1 1 48 48 GLN HB3 H 1 1.904 0.007 . 1 . 1055 . . 233 GLN HB3 . 25985 1 405 . 1 1 48 48 GLN HG2 H 1 2.203 0.007 . 2 . 1370 . . 233 GLN HG2 . 25985 1 406 . 1 1 48 48 GLN HG3 H 1 1.703 0.007 . 2 . 1366 . . 233 GLN HG3 . 25985 1 407 . 1 1 48 48 GLN HE21 H 1 6.800 0.004 . 1 . 1368 . . 233 GLN HE21 . 25985 1 408 . 1 1 48 48 GLN HE22 H 1 7.551 0.005 . 1 . 1371 . . 233 GLN HE22 . 25985 1 409 . 1 1 48 48 GLN CA C 13 57.047 0.098 . 1 . 375 . . 233 GLN CA . 25985 1 410 . 1 1 48 48 GLN CB C 13 27.534 0.228 . 1 . 371 . . 233 GLN CB . 25985 1 411 . 1 1 48 48 GLN CG C 13 32.529 0.114 . 1 . 1369 . . 233 GLN CG . 25985 1 412 . 1 1 48 48 GLN N N 15 117.094 0.07 . 1 . 205 . . 233 GLN N . 25985 1 413 . 1 1 48 48 GLN NE2 N 15 112.315 0.048 . 1 . 1367 . . 233 GLN NE2 . 25985 1 414 . 1 1 49 49 HIS H H 1 8.044 0.006 . 1 . 227 . . 234 HIS H . 25985 1 415 . 1 1 49 49 HIS HA H 1 5.392 0.005 . 1 . 1461 . . 234 HIS HA . 25985 1 416 . 1 1 49 49 HIS HB2 H 1 3.226 0.004 . 2 . 1459 . . 234 HIS HB2 . 25985 1 417 . 1 1 49 49 HIS HB3 H 1 3.411 0.014 . 2 . 1460 . . 234 HIS HB3 . 25985 1 418 . 1 1 49 49 HIS HD2 H 1 6.798 0.004 . 1 . 948 . . 234 HIS HD2 . 25985 1 419 . 1 1 49 49 HIS HE1 H 1 7.535 . . 1 . 949 . . 234 HIS HE1 . 25985 1 420 . 1 1 49 49 HIS CA C 13 53.674 0.226 . 1 . 370 . . 234 HIS CA . 25985 1 421 . 1 1 49 49 HIS CB C 13 29.530 0.158 . 1 . 368 . . 234 HIS CB . 25985 1 422 . 1 1 49 49 HIS N N 15 122.876 0.141 . 1 . 228 . . 234 HIS N . 25985 1 423 . 1 1 50 50 MET H H 1 7.214 0.005 . 1 . 53 . . 235 MET H . 25985 1 424 . 1 1 50 50 MET HA H 1 5.288 0.004 . 1 . 1464 . . 235 MET HA . 25985 1 425 . 1 1 50 50 MET HB2 H 1 2.272 0.003 . 2 . 943 . . 235 MET HB2 . 25985 1 426 . 1 1 50 50 MET HB3 H 1 2.000 0.012 . 2 . 1462 . . 235 MET HB3 . 25985 1 427 . 1 1 50 50 MET HG3 H 1 2.677 0.007 . 1 . 942 . . 235 MET HG3 . 25985 1 428 . 1 1 50 50 MET HE1 H 1 1.961 0.003 . 1 . 935 . . 235 MET HE1 . 25985 1 429 . 1 1 50 50 MET HE2 H 1 1.961 0.003 . 1 . 935 . . 235 MET HE2 . 25985 1 430 . 1 1 50 50 MET HE3 H 1 1.961 0.003 . 1 . 935 . . 235 MET HE3 . 25985 1 431 . 1 1 50 50 MET CA C 13 54.668 0.143 . 1 . 367 . . 235 MET CA . 25985 1 432 . 1 1 50 50 MET CB C 13 37.478 0.203 . 1 . 1463 . . 235 MET CB . 25985 1 433 . 1 1 50 50 MET CE C 13 17.369 0.122 . 1 . 936 . . 235 MET CE . 25985 1 434 . 1 1 50 50 MET N N 15 115.255 0.033 . 1 . 54 . . 235 MET N . 25985 1 435 . 1 1 51 51 GLY H H 1 7.375 0.009 . 1 . 220 . . 236 GLY H . 25985 1 436 . 1 1 51 51 GLY HA2 H 1 4.031 0.005 . 2 . 1467 . . 236 GLY HA2 . 25985 1 437 . 1 1 51 51 GLY HA3 H 1 4.240 0.01 . 2 . 1466 . . 236 GLY HA3 . 25985 1 438 . 1 1 51 51 GLY CA C 13 45.724 0.163 . 1 . 1465 . . 236 GLY CA . 25985 1 439 . 1 1 51 51 GLY N N 15 107.631 0.184 . 1 . 221 . . 236 GLY N . 25985 1 440 . 1 1 52 52 PHE H H 1 8.273 0.009 . 1 . 181 . . 237 PHE H . 25985 1 441 . 1 1 52 52 PHE HA H 1 6.111 0.007 . 1 . 1514 . . 237 PHE HA . 25985 1 442 . 1 1 52 52 PHE HB2 H 1 3.034 0.003 . 2 . 1357 . . 237 PHE HB2 . 25985 1 443 . 1 1 52 52 PHE HB3 H 1 3.128 0.008 . 2 . 1356 . . 237 PHE HB3 . 25985 1 444 . 1 1 52 52 PHE HD1 H 1 7.190 0.004 . 3 . 1355 . . 237 PHE HD1 . 25985 1 445 . 1 1 52 52 PHE HD2 H 1 7.190 0.004 . 3 . 1355 . . 237 PHE HD2 . 25985 1 446 . 1 1 52 52 PHE HE1 H 1 7.301 0.003 . 3 . 1349 . . 237 PHE HE1 . 25985 1 447 . 1 1 52 52 PHE HE2 H 1 7.301 0.003 . 3 . 1349 . . 237 PHE HE2 . 25985 1 448 . 1 1 52 52 PHE HZ H 1 7.072 0.004 . 1 . 1468 . . 237 PHE HZ . 25985 1 449 . 1 1 52 52 PHE CA C 13 55.714 0.252 . 1 . 363 . . 237 PHE CA . 25985 1 450 . 1 1 52 52 PHE CB C 13 44.055 0.15 . 1 . 444 . . 237 PHE CB . 25985 1 451 . 1 1 52 52 PHE N N 15 114.263 0.056 . 1 . 182 . . 237 PHE N . 25985 1 452 . 1 1 53 53 LEU H H 1 9.466 0.005 . 1 . 11 . . 238 LEU H . 25985 1 453 . 1 1 53 53 LEU HA H 1 4.725 0.008 . 1 . 787 . . 238 LEU HA . 25985 1 454 . 1 1 53 53 LEU HB2 H 1 1.726 0.005 . 2 . 1470 . . 238 LEU HB2 . 25985 1 455 . 1 1 53 53 LEU HB3 H 1 1.550 0.003 . 2 . 1469 . . 238 LEU HB3 . 25985 1 456 . 1 1 53 53 LEU HD11 H 1 0.909 0.007 . 2 . 1472 . . 238 LEU HD11 . 25985 1 457 . 1 1 53 53 LEU HD12 H 1 0.909 0.007 . 2 . 1472 . . 238 LEU HD12 . 25985 1 458 . 1 1 53 53 LEU HD13 H 1 0.909 0.007 . 2 . 1472 . . 238 LEU HD13 . 25985 1 459 . 1 1 53 53 LEU HD21 H 1 0.792 0.007 . 2 . 1498 . . 238 LEU HD21 . 25985 1 460 . 1 1 53 53 LEU HD22 H 1 0.792 0.007 . 2 . 1498 . . 238 LEU HD22 . 25985 1 461 . 1 1 53 53 LEU HD23 H 1 0.792 0.007 . 2 . 1498 . . 238 LEU HD23 . 25985 1 462 . 1 1 53 53 LEU CA C 13 53.905 0.282 . 1 . 361 . . 238 LEU CA . 25985 1 463 . 1 1 53 53 LEU CB C 13 47.922 0.144 . 1 . 362 . . 238 LEU CB . 25985 1 464 . 1 1 53 53 LEU CD1 C 13 24.124 0.013 . 1 . 1473 . . 238 LEU CD1 . 25985 1 465 . 1 1 53 53 LEU N N 15 121.234 0.088 . 1 . 12 . . 238 LEU N . 25985 1 466 . 1 1 55 55 ASN H H 1 8.689 0.002 . 1 . 1612 . . 240 ASN H . 25985 1 467 . 1 1 55 55 ASN HA H 1 4.533 0.003 . 1 . 1471 . . 240 ASN HA . 25985 1 468 . 1 1 55 55 ASN HB3 H 1 2.480 0.0 . 1 . 1611 . . 240 ASN HB3 . 25985 1 469 . 1 1 55 55 ASN CA C 13 56.023 . . 1 . 479 . . 240 ASN CA . 25985 1 470 . 1 1 55 55 ASN CB C 13 36.401 0.07 . 1 . 482 . . 240 ASN CB . 25985 1 471 . 1 1 56 56 GLU H H 1 7.550 0.005 . 1 . 80 . . 241 GLU H . 25985 1 472 . 1 1 56 56 GLU HA H 1 4.298 0.003 . 1 . 1478 . . 241 GLU HA . 25985 1 473 . 1 1 56 56 GLU HB2 H 1 2.192 0.001 . 1 . 1479 . . 241 GLU HB2 . 25985 1 474 . 1 1 56 56 GLU CA C 13 56.232 0.14 . 1 . 478 . . 241 GLU CA . 25985 1 475 . 1 1 56 56 GLU CB C 13 30.137 0.154 . 1 . 477 . . 241 GLU CB . 25985 1 476 . 1 1 56 56 GLU N N 15 123.214 0.064 . 1 . 81 . . 241 GLU N . 25985 1 477 . 1 1 57 57 ALA H H 1 8.582 0.01 . 1 . 174 . . 242 ALA H . 25985 1 478 . 1 1 57 57 ALA HA H 1 4.266 0.009 . 1 . 1196 . . 242 ALA HA . 25985 1 479 . 1 1 57 57 ALA HB1 H 1 1.315 0.005 . 1 . 1197 . . 242 ALA HB1 . 25985 1 480 . 1 1 57 57 ALA HB2 H 1 1.315 0.005 . 1 . 1197 . . 242 ALA HB2 . 25985 1 481 . 1 1 57 57 ALA HB3 H 1 1.315 0.005 . 1 . 1197 . . 242 ALA HB3 . 25985 1 482 . 1 1 57 57 ALA CA C 13 52.234 0.127 . 1 . 664 . . 242 ALA CA . 25985 1 483 . 1 1 57 57 ALA CB C 13 19.267 0.183 . 1 . 665 . . 242 ALA CB . 25985 1 484 . 1 1 57 57 ALA N N 15 129.135 0.065 . 1 . 175 . . 242 ALA N . 25985 1 485 . 1 1 58 58 LYS H H 1 8.313 0.005 . 1 . 162 . . 243 LYS H . 25985 1 486 . 1 1 58 58 LYS HA H 1 4.013 0.006 . 1 . 1317 . . 243 LYS HA . 25985 1 487 . 1 1 58 58 LYS HB2 H 1 1.674 0.005 . 2 . 1322 . . 243 LYS HB2 . 25985 1 488 . 1 1 58 58 LYS HB3 H 1 1.613 0.004 . 2 . 1316 . . 243 LYS HB3 . 25985 1 489 . 1 1 58 58 LYS HG2 H 1 1.247 0.009 . 2 . 1319 . . 243 LYS HG2 . 25985 1 490 . 1 1 58 58 LYS HG3 H 1 1.287 0.006 . 2 . 1318 . . 243 LYS HG3 . 25985 1 491 . 1 1 58 58 LYS HD3 H 1 1.603 0.005 . 1 . 1320 . . 243 LYS HD3 . 25985 1 492 . 1 1 58 58 LYS HE3 H 1 2.901 0.005 . 1 . 1323 . . 243 LYS HE3 . 25985 1 493 . 1 1 58 58 LYS CA C 13 56.584 0.164 . 1 . 1326 . . 243 LYS CA . 25985 1 494 . 1 1 58 58 LYS CB C 13 33.378 0.173 . 1 . 663 . . 243 LYS CB . 25985 1 495 . 1 1 58 58 LYS CG C 13 24.723 0.021 . 1 . 1321 . . 243 LYS CG . 25985 1 496 . 1 1 58 58 LYS CD C 13 29.383 0.04 . 1 . 1324 . . 243 LYS CD . 25985 1 497 . 1 1 58 58 LYS CE C 13 41.868 0.018 . 1 . 1325 . . 243 LYS CE . 25985 1 498 . 1 1 58 58 LYS N N 15 120.448 0.067 . 1 . 163 . . 243 LYS N . 25985 1 499 . 1 1 59 59 ASN H H 1 8.948 0.001 . 1 . 1635 . . 244 ASN H . 25985 1 500 . 1 1 60 60 LEU H H 1 8.830 0.003 . 1 . 1480 . . 245 LEU H . 25985 1 501 . 1 1 60 60 LEU HA H 1 3.970 0.009 . 1 . 1242 . . 245 LEU HA . 25985 1 502 . 1 1 60 60 LEU HB2 H 1 1.554 0.003 . 2 . 1245 . . 245 LEU HB2 . 25985 1 503 . 1 1 60 60 LEU HB3 H 1 1.661 0.004 . 2 . 1244 . . 245 LEU HB3 . 25985 1 504 . 1 1 60 60 LEU HG H 1 1.562 0.007 . 1 . 1252 . . 245 LEU HG . 25985 1 505 . 1 1 60 60 LEU HD11 H 1 0.853 0.004 . 2 . 1249 . . 245 LEU HD11 . 25985 1 506 . 1 1 60 60 LEU HD12 H 1 0.853 0.004 . 2 . 1249 . . 245 LEU HD12 . 25985 1 507 . 1 1 60 60 LEU HD13 H 1 0.853 0.004 . 2 . 1249 . . 245 LEU HD13 . 25985 1 508 . 1 1 60 60 LEU HD21 H 1 0.738 0.005 . 2 . 1243 . . 245 LEU HD21 . 25985 1 509 . 1 1 60 60 LEU HD22 H 1 0.738 0.005 . 2 . 1243 . . 245 LEU HD22 . 25985 1 510 . 1 1 60 60 LEU HD23 H 1 0.738 0.005 . 2 . 1243 . . 245 LEU HD23 . 25985 1 511 . 1 1 60 60 LEU CA C 13 56.830 0.065 . 1 . 644 . . 245 LEU CA . 25985 1 512 . 1 1 60 60 LEU CB C 13 41.487 0.053 . 1 . 645 . . 245 LEU CB . 25985 1 513 . 1 1 60 60 LEU CG C 13 27.282 0.065 . 1 . 1251 . . 245 LEU CG . 25985 1 514 . 1 1 60 60 LEU CD1 C 13 24.900 0.035 . 2 . 1248 . . 245 LEU CD1 . 25985 1 515 . 1 1 60 60 LEU CD2 C 13 22.967 0.061 . 2 . 1250 . . 245 LEU CD2 . 25985 1 516 . 1 1 61 61 LEU H H 1 8.167 0.011 . 1 . 643 . . 246 LEU H . 25985 1 517 . 1 1 61 61 LEU HA H 1 4.197 0.005 . 1 . 1233 . . 246 LEU HA . 25985 1 518 . 1 1 61 61 LEU HB2 H 1 1.621 0.004 . 2 . 1237 . . 246 LEU HB2 . 25985 1 519 . 1 1 61 61 LEU HB3 H 1 1.748 0.004 . 2 . 1236 . . 246 LEU HB3 . 25985 1 520 . 1 1 61 61 LEU HG H 1 1.648 0.005 . 1 . 1235 . . 246 LEU HG . 25985 1 521 . 1 1 61 61 LEU HD11 H 1 0.854 0.004 . 2 . 1238 . . 246 LEU HD11 . 25985 1 522 . 1 1 61 61 LEU HD12 H 1 0.854 0.004 . 2 . 1238 . . 246 LEU HD12 . 25985 1 523 . 1 1 61 61 LEU HD13 H 1 0.854 0.004 . 2 . 1238 . . 246 LEU HD13 . 25985 1 524 . 1 1 61 61 LEU HD21 H 1 0.910 0.004 . 2 . 1234 . . 246 LEU HD21 . 25985 1 525 . 1 1 61 61 LEU HD22 H 1 0.910 0.004 . 2 . 1234 . . 246 LEU HD22 . 25985 1 526 . 1 1 61 61 LEU HD23 H 1 0.910 0.004 . 2 . 1234 . . 246 LEU HD23 . 25985 1 527 . 1 1 61 61 LEU CA C 13 56.943 0.072 . 1 . 641 . . 246 LEU CA . 25985 1 528 . 1 1 61 61 LEU CB C 13 41.406 0.113 . 1 . 642 . . 246 LEU CB . 25985 1 529 . 1 1 61 61 LEU CG C 13 27.153 . . 1 . 1240 . . 246 LEU CG . 25985 1 530 . 1 1 61 61 LEU CD1 C 13 23.396 0.043 . 2 . 1239 . . 246 LEU CD1 . 25985 1 531 . 1 1 61 61 LEU CD2 C 13 24.831 0.008 . 2 . 1247 . . 246 LEU CD2 . 25985 1 532 . 1 1 61 61 LEU N N 15 120.209 0.03 . 1 . 169 . . 246 LEU N . 25985 1 533 . 1 1 62 62 CYS H H 1 7.511 0.007 . 1 . 637 . . 247 CYS H . 25985 1 534 . 1 1 62 62 CYS HB3 H 1 2.893 . . 1 . 1241 . . 247 CYS HB3 . 25985 1 535 . 1 1 62 62 CYS CA C 13 57.917 0.167 . 1 . 639 . . 247 CYS CA . 25985 1 536 . 1 1 62 62 CYS CB C 13 27.834 0.317 . 1 . 640 . . 247 CYS CB . 25985 1 537 . 1 1 62 62 CYS N N 15 114.525 0.051 . 1 . 638 . . 247 CYS N . 25985 1 538 . 1 1 63 63 GLY H H 1 7.855 0.014 . 1 . 636 . . 248 GLY H . 25985 1 539 . 1 1 63 63 GLY HA2 H 1 3.914 0.007 . 2 . 1483 . . 248 GLY HA2 . 25985 1 540 . 1 1 63 63 GLY HA3 H 1 3.608 0.017 . 2 . 1482 . . 248 GLY HA3 . 25985 1 541 . 1 1 63 63 GLY CA C 13 45.999 0.132 . 1 . 670 . . 248 GLY CA . 25985 1 542 . 1 1 63 63 GLY N N 15 109.056 0.086 . 1 . 266 . . 248 GLY N . 25985 1 543 . 1 1 64 64 PHE H H 1 7.692 0.005 . 1 . 246 . . 249 PHE H . 25985 1 544 . 1 1 64 64 PHE HA H 1 3.929 0.003 . 1 . 1484 . . 249 PHE HA . 25985 1 545 . 1 1 64 64 PHE HB3 H 1 2.959 0.001 . 1 . 1485 . . 249 PHE HB3 . 25985 1 546 . 1 1 64 64 PHE CA C 13 57.093 . . 1 . 668 . . 249 PHE CA . 25985 1 547 . 1 1 64 64 PHE CB C 13 40.230 . . 1 . 669 . . 249 PHE CB . 25985 1 548 . 1 1 64 64 PHE N N 15 118.891 0.01 . 1 . 247 . . 249 PHE N . 25985 1 549 . 1 1 65 65 TYR H H 1 8.525 0.005 . 1 . 1436 . . 250 TYR H . 25985 1 550 . 1 1 65 65 TYR HA H 1 4.292 . . 1 . 1486 . . 250 TYR HA . 25985 1 551 . 1 1 65 65 TYR HB3 H 1 2.818 . . 1 . 1487 . . 250 TYR HB3 . 25985 1 552 . 1 1 65 65 TYR N N 15 124.210 0.019 . 1 . 1435 . . 250 TYR N . 25985 1 553 . 1 1 66 66 GLY H H 1 6.756 0.003 . 1 . 170 . . 251 GLY H . 25985 1 554 . 1 1 66 66 GLY CA C 13 43.501 . . 1 . 653 . . 251 GLY CA . 25985 1 555 . 1 1 66 66 GLY N N 15 117.422 0.003 . 1 . 171 . . 251 GLY N . 25985 1 556 . 1 1 67 67 ARG H H 1 8.254 0.005 . 1 . 1997 . . 252 ARG H . 25985 1 557 . 1 1 67 67 ARG HA H 1 4.132 0.003 . 1 . 1488 . . 252 ARG HA . 25985 1 558 . 1 1 67 67 ARG HB2 H 1 1.159 0.0 . 2 . 1475 . . 252 ARG HB2 . 25985 1 559 . 1 1 67 67 ARG HB3 H 1 1.294 . . 2 . 1476 . . 252 ARG HB3 . 25985 1 560 . 1 1 67 67 ARG HD2 H 1 2.963 . . 1 . 1477 . . 252 ARG HD2 . 25985 1 561 . 1 1 67 67 ARG N N 15 122.090 0.026 . 1 . 1998 . . 252 ARG N . 25985 1 562 . 1 1 68 68 HIS H H 1 8.855 0.004 . 1 . 27 . . 253 HIS H . 25985 1 563 . 1 1 68 68 HIS HB2 H 1 3.499 0.0 . 1 . 1282 . . 253 HIS HB2 . 25985 1 564 . 1 1 68 68 HIS HD2 H 1 6.903 0.003 . 1 . 1489 . . 253 HIS HD2 . 25985 1 565 . 1 1 68 68 HIS CA C 13 55.789 . . 1 . 414 . . 253 HIS CA . 25985 1 566 . 1 1 68 68 HIS CB C 13 31.585 . . 1 . 413 . . 253 HIS CB . 25985 1 567 . 1 1 68 68 HIS N N 15 127.069 0.031 . 1 . 28 . . 253 HIS N . 25985 1 568 . 1 1 69 69 ALA H H 1 8.858 0.008 . 1 . 411 . . 254 ALA H . 25985 1 569 . 1 1 69 69 ALA HA H 1 3.440 0.019 . 1 . 766 . . 254 ALA HA . 25985 1 570 . 1 1 69 69 ALA HB1 H 1 0.917 0.005 . 1 . 1281 . . 254 ALA HB1 . 25985 1 571 . 1 1 69 69 ALA HB2 H 1 0.917 0.005 . 1 . 1281 . . 254 ALA HB2 . 25985 1 572 . 1 1 69 69 ALA HB3 H 1 0.917 0.005 . 1 . 1281 . . 254 ALA HB3 . 25985 1 573 . 1 1 69 69 ALA CA C 13 56.006 0.053 . 1 . 299 . . 254 ALA CA . 25985 1 574 . 1 1 69 69 ALA CB C 13 18.200 0.203 . 1 . 298 . . 254 ALA CB . 25985 1 575 . 1 1 69 69 ALA N N 15 125.257 0.034 . 1 . 412 . . 254 ALA N . 25985 1 576 . 1 1 70 70 GLU H H 1 12.412 0.01 . 1 . 187 . . 255 GLU H . 25985 1 577 . 1 1 70 70 GLU HA H 1 2.914 0.003 . 1 . 765 . . 255 GLU HA . 25985 1 578 . 1 1 70 70 GLU HB2 H 1 1.692 0.007 . 2 . 767 . . 255 GLU HB2 . 25985 1 579 . 1 1 70 70 GLU HB3 H 1 2.358 0.001 . 2 . 1283 . . 255 GLU HB3 . 25985 1 580 . 1 1 70 70 GLU HG3 H 1 2.748 0.001 . 1 . 1284 . . 255 GLU HG3 . 25985 1 581 . 1 1 70 70 GLU CA C 13 61.046 0.021 . 1 . 625 . . 255 GLU CA . 25985 1 582 . 1 1 70 70 GLU CB C 13 27.860 0.211 . 1 . 624 . . 255 GLU CB . 25985 1 583 . 1 1 70 70 GLU N N 15 119.308 0.143 . 1 . 188 . . 255 GLU N . 25985 1 584 . 1 1 71 71 LEU H H 1 6.872 0.005 . 1 . 279 . . 256 LEU H . 25985 1 585 . 1 1 71 71 LEU HA H 1 3.491 0.003 . 1 . 1342 . . 256 LEU HA . 25985 1 586 . 1 1 71 71 LEU HB2 H 1 1.721 0.005 . 2 . 1490 . . 256 LEU HB2 . 25985 1 587 . 1 1 71 71 LEU HB3 H 1 1.962 0.005 . 2 . 1154 . . 256 LEU HB3 . 25985 1 588 . 1 1 71 71 LEU HG H 1 0.921 0.006 . 1 . 1345 . . 256 LEU HG . 25985 1 589 . 1 1 71 71 LEU HD11 H 1 0.776 0.005 . 1 . 1341 . . 256 LEU HD11 . 25985 1 590 . 1 1 71 71 LEU HD12 H 1 0.776 0.005 . 1 . 1341 . . 256 LEU HD12 . 25985 1 591 . 1 1 71 71 LEU HD13 H 1 0.776 0.005 . 1 . 1341 . . 256 LEU HD13 . 25985 1 592 . 1 1 71 71 LEU CA C 13 56.878 0.158 . 1 . 622 . . 256 LEU CA . 25985 1 593 . 1 1 71 71 LEU CB C 13 39.077 0.181 . 1 . 623 . . 256 LEU CB . 25985 1 594 . 1 1 71 71 LEU CG C 13 26.320 . . 1 . 1344 . . 256 LEU CG . 25985 1 595 . 1 1 71 71 LEU CD1 C 13 26.548 0.081 . 1 . 1343 . . 256 LEU CD1 . 25985 1 596 . 1 1 71 71 LEU N N 15 115.282 0.063 . 1 . 280 . . 256 LEU N . 25985 1 597 . 1 1 72 72 ARG H H 1 7.627 0.006 . 1 . 293 . . 257 ARG H . 25985 1 598 . 1 1 72 72 ARG HA H 1 3.492 0.005 . 1 . 1494 . . 257 ARG HA . 25985 1 599 . 1 1 72 72 ARG HB2 H 1 1.929 0.002 . 1 . 1493 . . 257 ARG HB2 . 25985 1 600 . 1 1 72 72 ARG CA C 13 59.275 0.148 . 1 . 550 . . 257 ARG CA . 25985 1 601 . 1 1 72 72 ARG CB C 13 28.812 0.087 . 1 . 551 . . 257 ARG CB . 25985 1 602 . 1 1 72 72 ARG N N 15 118.009 0.183 . 1 . 294 . . 257 ARG N . 25985 1 603 . 1 1 73 73 PHE H H 1 7.629 0.007 . 1 . 49 . . 258 PHE H . 25985 1 604 . 1 1 73 73 PHE HA H 1 3.508 0.005 . 1 . 839 . . 258 PHE HA . 25985 1 605 . 1 1 73 73 PHE HB2 H 1 2.314 0.005 . 2 . 1149 . . 258 PHE HB2 . 25985 1 606 . 1 1 73 73 PHE HB3 H 1 3.099 0.005 . 2 . 1148 . . 258 PHE HB3 . 25985 1 607 . 1 1 73 73 PHE HD1 H 1 6.560 0.004 . 3 . 877 . . 258 PHE HD1 . 25985 1 608 . 1 1 73 73 PHE HD2 H 1 6.560 0.004 . 3 . 877 . . 258 PHE HD2 . 25985 1 609 . 1 1 73 73 PHE HE1 H 1 6.507 0.004 . 3 . 876 . . 258 PHE HE1 . 25985 1 610 . 1 1 73 73 PHE HE2 H 1 6.507 0.004 . 3 . 876 . . 258 PHE HE2 . 25985 1 611 . 1 1 73 73 PHE HZ H 1 6.742 0.004 . 1 . 899 . . 258 PHE HZ . 25985 1 612 . 1 1 73 73 PHE CA C 13 61.978 0.109 . 1 . 717 . . 258 PHE CA . 25985 1 613 . 1 1 73 73 PHE CB C 13 38.689 . . 1 . 582 . . 258 PHE CB . 25985 1 614 . 1 1 73 73 PHE N N 15 117.570 0.145 . 1 . 50 . . 258 PHE N . 25985 1 615 . 1 1 74 74 LEU H H 1 7.611 0.006 . 1 . 225 . . 259 LEU H . 25985 1 616 . 1 1 74 74 LEU HA H 1 3.542 0.004 . 1 . 805 . . 259 LEU HA . 25985 1 617 . 1 1 74 74 LEU HB2 H 1 2.019 0.004 . 2 . 808 . . 259 LEU HB2 . 25985 1 618 . 1 1 74 74 LEU HB3 H 1 1.305 0.006 . 2 . 807 . . 259 LEU HB3 . 25985 1 619 . 1 1 74 74 LEU HG H 1 2.090 0.018 . 1 . 806 . . 259 LEU HG . 25985 1 620 . 1 1 74 74 LEU HD11 H 1 0.826 0.009 . 2 . 809 . . 259 LEU HD11 . 25985 1 621 . 1 1 74 74 LEU HD12 H 1 0.826 0.009 . 2 . 809 . . 259 LEU HD12 . 25985 1 622 . 1 1 74 74 LEU HD13 H 1 0.826 0.009 . 2 . 809 . . 259 LEU HD13 . 25985 1 623 . 1 1 74 74 LEU HD21 H 1 0.264 0.004 . 2 . 804 . . 259 LEU HD21 . 25985 1 624 . 1 1 74 74 LEU HD22 H 1 0.264 0.004 . 2 . 804 . . 259 LEU HD22 . 25985 1 625 . 1 1 74 74 LEU HD23 H 1 0.264 0.004 . 2 . 804 . . 259 LEU HD23 . 25985 1 626 . 1 1 74 74 LEU CA C 13 58.398 0.092 . 1 . 718 . . 259 LEU CA . 25985 1 627 . 1 1 74 74 LEU CB C 13 38.602 0.111 . 1 . 719 . . 259 LEU CB . 25985 1 628 . 1 1 74 74 LEU CG C 13 25.810 0.003 . 1 . 1372 . . 259 LEU CG . 25985 1 629 . 1 1 74 74 LEU CD1 C 13 26.222 0.075 . 2 . 811 . . 259 LEU CD1 . 25985 1 630 . 1 1 74 74 LEU CD2 C 13 21.151 0.06 . 2 . 810 . . 259 LEU CD2 . 25985 1 631 . 1 1 74 74 LEU N N 15 119.277 0.072 . 1 . 226 . . 259 LEU N . 25985 1 632 . 1 1 75 75 ASP H H 1 8.193 0.009 . 1 . 240 . . 260 ASP H . 25985 1 633 . 1 1 75 75 ASP HA H 1 4.181 0.005 . 1 . 1496 . . 260 ASP HA . 25985 1 634 . 1 1 75 75 ASP HB2 H 1 2.570 0.013 . 2 . 1254 . . 260 ASP HB2 . 25985 1 635 . 1 1 75 75 ASP HB3 H 1 2.782 0.017 . 2 . 1142 . . 260 ASP HB3 . 25985 1 636 . 1 1 75 75 ASP CA C 13 56.630 0.156 . 1 . 1253 . . 260 ASP CA . 25985 1 637 . 1 1 75 75 ASP CB C 13 40.420 0.194 . 1 . 360 . . 260 ASP CB . 25985 1 638 . 1 1 75 75 ASP N N 15 118.435 0.113 . 1 . 241 . . 260 ASP N . 25985 1 639 . 1 1 76 76 LEU H H 1 7.263 0.005 . 1 . 224 . . 261 LEU H . 25985 1 640 . 1 1 76 76 LEU HA H 1 4.221 0.006 . 1 . 820 . . 261 LEU HA . 25985 1 641 . 1 1 76 76 LEU HB2 H 1 1.365 0.001 . 2 . 1497 . . 261 LEU HB2 . 25985 1 642 . 1 1 76 76 LEU HB3 H 1 1.386 0.006 . 2 . 823 . . 261 LEU HB3 . 25985 1 643 . 1 1 76 76 LEU HG H 1 1.568 0.005 . 1 . 822 . . 261 LEU HG . 25985 1 644 . 1 1 76 76 LEU HD11 H 1 0.520 0.007 . 2 . 816 . . 261 LEU HD11 . 25985 1 645 . 1 1 76 76 LEU HD12 H 1 0.520 0.007 . 2 . 816 . . 261 LEU HD12 . 25985 1 646 . 1 1 76 76 LEU HD13 H 1 0.520 0.007 . 2 . 816 . . 261 LEU HD13 . 25985 1 647 . 1 1 76 76 LEU HD21 H 1 0.386 0.005 . 2 . 818 . . 261 LEU HD21 . 25985 1 648 . 1 1 76 76 LEU HD22 H 1 0.386 0.005 . 2 . 818 . . 261 LEU HD22 . 25985 1 649 . 1 1 76 76 LEU HD23 H 1 0.386 0.005 . 2 . 818 . . 261 LEU HD23 . 25985 1 650 . 1 1 76 76 LEU CA C 13 55.121 0.111 . 1 . 355 . . 261 LEU CA . 25985 1 651 . 1 1 76 76 LEU CB C 13 42.080 0.053 . 1 . 357 . . 261 LEU CB . 25985 1 652 . 1 1 76 76 LEU CG C 13 25.610 0.053 . 1 . 821 . . 261 LEU CG . 25985 1 653 . 1 1 76 76 LEU CD1 C 13 25.255 0.1 . 2 . 817 . . 261 LEU CD1 . 25985 1 654 . 1 1 76 76 LEU CD2 C 13 23.867 0.099 . 2 . 819 . . 261 LEU CD2 . 25985 1 655 . 1 1 76 76 LEU N N 15 118.078 0.066 . 1 . 671 . . 261 LEU N . 25985 1 656 . 1 1 77 77 VAL H H 1 7.153 0.006 . 1 . 5 . . 262 VAL H . 25985 1 657 . 1 1 77 77 VAL HA H 1 3.213 0.004 . 1 . 825 . . 262 VAL HA . 25985 1 658 . 1 1 77 77 VAL HB H 1 2.179 0.005 . 1 . 681 . . 262 VAL HB . 25985 1 659 . 1 1 77 77 VAL HG11 H 1 0.950 0.005 . 2 . 680 . . 262 VAL HG11 . 25985 1 660 . 1 1 77 77 VAL HG12 H 1 0.950 0.005 . 2 . 680 . . 262 VAL HG12 . 25985 1 661 . 1 1 77 77 VAL HG13 H 1 0.950 0.005 . 2 . 680 . . 262 VAL HG13 . 25985 1 662 . 1 1 77 77 VAL HG21 H 1 0.594 0.006 . 2 . 679 . . 262 VAL HG21 . 25985 1 663 . 1 1 77 77 VAL HG22 H 1 0.594 0.006 . 2 . 679 . . 262 VAL HG22 . 25985 1 664 . 1 1 77 77 VAL HG23 H 1 0.594 0.006 . 2 . 679 . . 262 VAL HG23 . 25985 1 665 . 1 1 77 77 VAL CA C 13 68.584 0.128 . 1 . 354 . . 262 VAL CA . 25985 1 666 . 1 1 77 77 VAL CB C 13 28.961 0.103 . 1 . 356 . . 262 VAL CB . 25985 1 667 . 1 1 77 77 VAL CG1 C 13 21.635 0.047 . 2 . 1222 . . 262 VAL CG1 . 25985 1 668 . 1 1 77 77 VAL CG2 C 13 24.551 0.04 . 2 . 824 . . 262 VAL CG2 . 25985 1 669 . 1 1 77 77 VAL N N 15 120.358 0.063 . 1 . 6 . . 262 VAL N . 25985 1 670 . 1 1 78 78 PRO HB3 H 1 2.174 0.005 . 1 . 1500 . . 263 PRO HB3 . 25985 1 671 . 1 1 78 78 PRO HG2 H 1 1.834 0.003 . 1 . 1499 . . 263 PRO HG2 . 25985 1 672 . 1 1 78 78 PRO HD3 H 1 3.541 0.003 . 1 . 1501 . . 263 PRO HD3 . 25985 1 673 . 1 1 78 78 PRO CA C 13 66.647 0.121 . 1 . 352 . . 263 PRO CA . 25985 1 674 . 1 1 78 78 PRO CB C 13 30.253 0.073 . 1 . 353 . . 263 PRO CB . 25985 1 675 . 1 1 79 79 SER H H 1 7.820 0.016 . 1 . 177 . . 264 SER H . 25985 1 676 . 1 1 79 79 SER HA H 1 4.306 0.004 . 1 . 1182 . . 264 SER HA . 25985 1 677 . 1 1 79 79 SER HB3 H 1 4.004 0.011 . 1 . 1181 . . 264 SER HB3 . 25985 1 678 . 1 1 79 79 SER CA C 13 60.783 0.107 . 1 . 341 . . 264 SER CA . 25985 1 679 . 1 1 79 79 SER CB C 13 63.162 0.164 . 1 . 340 . . 264 SER CB . 25985 1 680 . 1 1 79 79 SER N N 15 112.771 0.12 . 1 . 178 . . 264 SER N . 25985 1 681 . 1 1 80 80 LEU H H 1 7.927 0.005 . 1 . 39 . . 265 LEU H . 25985 1 682 . 1 1 80 80 LEU HA H 1 3.824 0.007 . 1 . 1183 . . 265 LEU HA . 25985 1 683 . 1 1 80 80 LEU HB2 H 1 0.966 0.012 . 2 . 991 . . 265 LEU HB2 . 25985 1 684 . 1 1 80 80 LEU HB3 H 1 1.318 0.005 . 2 . 838 . . 265 LEU HB3 . 25985 1 685 . 1 1 80 80 LEU HG H 1 1.545 0.006 . 1 . 826 . . 265 LEU HG . 25985 1 686 . 1 1 80 80 LEU HD11 H 1 0.443 0.008 . 2 . 812 . . 265 LEU HD11 . 25985 1 687 . 1 1 80 80 LEU HD12 H 1 0.443 0.008 . 2 . 812 . . 265 LEU HD12 . 25985 1 688 . 1 1 80 80 LEU HD13 H 1 0.443 0.008 . 2 . 812 . . 265 LEU HD13 . 25985 1 689 . 1 1 80 80 LEU HD21 H 1 0.385 0.004 . 2 . 813 . . 265 LEU HD21 . 25985 1 690 . 1 1 80 80 LEU HD22 H 1 0.385 0.004 . 2 . 813 . . 265 LEU HD22 . 25985 1 691 . 1 1 80 80 LEU HD23 H 1 0.385 0.004 . 2 . 813 . . 265 LEU HD23 . 25985 1 692 . 1 1 80 80 LEU CA C 13 55.512 0.102 . 1 . 339 . . 265 LEU CA . 25985 1 693 . 1 1 80 80 LEU CB C 13 39.760 0.197 . 1 . 336 . . 265 LEU CB . 25985 1 694 . 1 1 80 80 LEU CG C 13 25.644 0.013 . 1 . 1336 . . 265 LEU CG . 25985 1 695 . 1 1 80 80 LEU CD1 C 13 25.012 0.057 . 2 . 815 . . 265 LEU CD1 . 25985 1 696 . 1 1 80 80 LEU CD2 C 13 20.720 0.079 . 2 . 814 . . 265 LEU CD2 . 25985 1 697 . 1 1 80 80 LEU N N 15 120.938 0.078 . 1 . 40 . . 265 LEU N . 25985 1 698 . 1 1 81 81 GLN H H 1 7.421 0.005 . 1 . 31 . . 266 GLN H . 25985 1 699 . 1 1 81 81 GLN HA H 1 3.799 0.009 . 1 . 1056 . . 266 GLN HA . 25985 1 700 . 1 1 81 81 GLN HB2 H 1 2.094 0.004 . 2 . 1058 . . 266 GLN HB2 . 25985 1 701 . 1 1 81 81 GLN HB3 H 1 2.180 0.002 . 2 . 1057 . . 266 GLN HB3 . 25985 1 702 . 1 1 81 81 GLN HG2 H 1 2.291 0.009 . 2 . 1373 . . 266 GLN HG2 . 25985 1 703 . 1 1 81 81 GLN HG3 H 1 2.251 0.01 . 2 . 1184 . . 266 GLN HG3 . 25985 1 704 . 1 1 81 81 GLN HE21 H 1 7.478 0.004 . 1 . 1377 . . 266 GLN HE21 . 25985 1 705 . 1 1 81 81 GLN HE22 H 1 6.808 0.003 . 1 . 1375 . . 266 GLN HE22 . 25985 1 706 . 1 1 81 81 GLN CA C 13 56.126 0.071 . 1 . 337 . . 266 GLN CA . 25985 1 707 . 1 1 81 81 GLN CB C 13 26.370 0.209 . 1 . 335 . . 266 GLN CB . 25985 1 708 . 1 1 81 81 GLN CG C 13 34.131 0.019 . 1 . 1374 . . 266 GLN CG . 25985 1 709 . 1 1 81 81 GLN N N 15 111.204 0.049 . 1 . 32 . . 266 GLN N . 25985 1 710 . 1 1 81 81 GLN NE2 N 15 112.025 0.016 . 1 . 1376 . . 266 GLN NE2 . 25985 1 711 . 1 1 82 82 LEU H H 1 8.734 0.003 . 1 . 158 . . 267 LEU H . 25985 1 712 . 1 1 82 82 LEU HA H 1 3.732 0.007 . 1 . 707 . . 267 LEU HA . 25985 1 713 . 1 1 82 82 LEU HB2 H 1 0.675 0.012 . 2 . 776 . . 267 LEU HB2 . 25985 1 714 . 1 1 82 82 LEU HB3 H 1 1.568 0.002 . 2 . 709 . . 267 LEU HB3 . 25985 1 715 . 1 1 82 82 LEU HG H 1 1.341 0.008 . 1 . 708 . . 267 LEU HG . 25985 1 716 . 1 1 82 82 LEU HD11 H 1 0.340 0.005 . 2 . 686 . . 267 LEU HD11 . 25985 1 717 . 1 1 82 82 LEU HD12 H 1 0.340 0.005 . 2 . 686 . . 267 LEU HD12 . 25985 1 718 . 1 1 82 82 LEU HD13 H 1 0.340 0.005 . 2 . 686 . . 267 LEU HD13 . 25985 1 719 . 1 1 82 82 LEU HD21 H 1 -0.122 0.005 . 2 . 687 . . 267 LEU HD21 . 25985 1 720 . 1 1 82 82 LEU HD22 H 1 -0.122 0.005 . 2 . 687 . . 267 LEU HD22 . 25985 1 721 . 1 1 82 82 LEU HD23 H 1 -0.122 0.005 . 2 . 687 . . 267 LEU HD23 . 25985 1 722 . 1 1 82 82 LEU CA C 13 55.035 0.023 . 1 . 334 . . 267 LEU CA . 25985 1 723 . 1 1 82 82 LEU CB C 13 38.420 0.076 . 1 . 333 . . 267 LEU CB . 25985 1 724 . 1 1 82 82 LEU CG C 13 25.607 0.051 . 1 . 1335 . . 267 LEU CG . 25985 1 725 . 1 1 82 82 LEU CD1 C 13 24.045 0.049 . 2 . 705 . . 267 LEU CD1 . 25985 1 726 . 1 1 82 82 LEU CD2 C 13 20.123 0.07 . 2 . 706 . . 267 LEU CD2 . 25985 1 727 . 1 1 82 82 LEU N N 15 118.584 0.06 . 1 . 159 . . 267 LEU N . 25985 1 728 . 1 1 83 83 ASP H H 1 8.512 0.004 . 1 . 93 . . 268 ASP H . 25985 1 729 . 1 1 83 83 ASP HA H 1 4.873 0.007 . 1 . 1185 . . 268 ASP HA . 25985 1 730 . 1 1 83 83 ASP HB2 H 1 2.759 0.003 . 2 . 1186 . . 268 ASP HB2 . 25985 1 731 . 1 1 83 83 ASP HB3 H 1 3.184 0.006 . 2 . 1505 . . 268 ASP HB3 . 25985 1 732 . 1 1 83 83 ASP CA C 13 51.333 0.08 . 1 . 331 . . 268 ASP CA . 25985 1 733 . 1 1 83 83 ASP CB C 13 42.566 0.085 . 1 . 332 . . 268 ASP CB . 25985 1 734 . 1 1 83 83 ASP N N 15 126.567 0.06 . 1 . 94 . . 268 ASP N . 25985 1 735 . 1 1 84 84 PRO HA H 1 3.756 0.012 . 1 . 1346 . . 269 PRO HA . 25985 1 736 . 1 1 84 84 PRO HB3 H 1 1.819 0.004 . 1 . 1002 . . 269 PRO HB3 . 25985 1 737 . 1 1 84 84 PRO HD3 H 1 3.944 0.01 . 1 . 1003 . . 269 PRO HD3 . 25985 1 738 . 1 1 84 84 PRO CA C 13 63.889 0.089 . 1 . 514 . . 269 PRO CA . 25985 1 739 . 1 1 84 84 PRO CB C 13 31.614 0.21 . 1 . 513 . . 269 PRO CB . 25985 1 740 . 1 1 85 85 ALA H H 1 8.519 0.005 . 1 . 37 . . 270 ALA H . 25985 1 741 . 1 1 85 85 ALA HA H 1 4.420 0.007 . 1 . 926 . . 270 ALA HA . 25985 1 742 . 1 1 85 85 ALA HB1 H 1 1.420 0.005 . 1 . 925 . . 270 ALA HB1 . 25985 1 743 . 1 1 85 85 ALA HB2 H 1 1.420 0.005 . 1 . 925 . . 270 ALA HB2 . 25985 1 744 . 1 1 85 85 ALA HB3 H 1 1.420 0.005 . 1 . 925 . . 270 ALA HB3 . 25985 1 745 . 1 1 85 85 ALA CA C 13 52.335 0.092 . 1 . 516 . . 270 ALA CA . 25985 1 746 . 1 1 85 85 ALA CB C 13 19.023 0.197 . 1 . 515 . . 270 ALA CB . 25985 1 747 . 1 1 85 85 ALA N N 15 121.120 0.092 . 1 . 38 . . 270 ALA N . 25985 1 748 . 1 1 86 86 GLN H H 1 8.167 0.004 . 1 . 7 . . 271 GLN H . 25985 1 749 . 1 1 86 86 GLN HA H 1 4.433 0.005 . 1 . 1187 . . 271 GLN HA . 25985 1 750 . 1 1 86 86 GLN HB2 H 1 1.882 0.002 . 2 . 1502 . . 271 GLN HB2 . 25985 1 751 . 1 1 86 86 GLN HB3 H 1 2.188 0.002 . 2 . 1188 . . 271 GLN HB3 . 25985 1 752 . 1 1 86 86 GLN HG2 H 1 2.372 0.005 . 2 . 1503 . . 271 GLN HG2 . 25985 1 753 . 1 1 86 86 GLN HG3 H 1 2.202 0.003 . 2 . 982 . . 271 GLN HG3 . 25985 1 754 . 1 1 86 86 GLN HE21 H 1 6.879 0.006 . 1 . 928 . . 271 GLN HE21 . 25985 1 755 . 1 1 86 86 GLN HE22 H 1 7.735 0.004 . 1 . 927 . . 271 GLN HE22 . 25985 1 756 . 1 1 86 86 GLN CA C 13 53.584 0.121 . 1 . 518 . . 271 GLN CA . 25985 1 757 . 1 1 86 86 GLN CB C 13 29.656 0.081 . 1 . 517 . . 271 GLN CB . 25985 1 758 . 1 1 86 86 GLN CG C 13 34.017 . . 1 . 1504 . . 271 GLN CG . 25985 1 759 . 1 1 86 86 GLN N N 15 119.861 0.086 . 1 . 8 . . 271 GLN N . 25985 1 760 . 1 1 86 86 GLN NE2 N 15 113.598 0.013 . 1 . 981 . . 271 GLN NE2 . 25985 1 761 . 1 1 87 87 ILE H H 1 8.254 0.004 . 1 . 287 . . 272 ILE H . 25985 1 762 . 1 1 87 87 ILE HA H 1 4.968 0.01 . 1 . 867 . . 272 ILE HA . 25985 1 763 . 1 1 87 87 ILE HB H 1 1.773 0.002 . 1 . 960 . . 272 ILE HB . 25985 1 764 . 1 1 87 87 ILE HG12 H 1 1.131 0.007 . 2 . 958 . . 272 ILE HG12 . 25985 1 765 . 1 1 87 87 ILE HG13 H 1 1.454 0.005 . 2 . 959 . . 272 ILE HG13 . 25985 1 766 . 1 1 87 87 ILE HG21 H 1 0.985 0.005 . 1 . 953 . . 272 ILE HG21 . 25985 1 767 . 1 1 87 87 ILE HG22 H 1 0.985 0.005 . 1 . 953 . . 272 ILE HG22 . 25985 1 768 . 1 1 87 87 ILE HG23 H 1 0.985 0.005 . 1 . 953 . . 272 ILE HG23 . 25985 1 769 . 1 1 87 87 ILE HD11 H 1 0.815 0.005 . 1 . 956 . . 272 ILE HD11 . 25985 1 770 . 1 1 87 87 ILE HD12 H 1 0.815 0.005 . 1 . 956 . . 272 ILE HD12 . 25985 1 771 . 1 1 87 87 ILE HD13 H 1 0.815 0.005 . 1 . 956 . . 272 ILE HD13 . 25985 1 772 . 1 1 87 87 ILE CA C 13 60.361 . . 1 . 520 . . 272 ILE CA . 25985 1 773 . 1 1 87 87 ILE CB C 13 39.937 . . 1 . 519 . . 272 ILE CB . 25985 1 774 . 1 1 87 87 ILE CG1 C 13 27.472 0.052 . 1 . 957 . . 272 ILE CG1 . 25985 1 775 . 1 1 87 87 ILE CG2 C 13 17.760 0.096 . 1 . 952 . . 272 ILE CG2 . 25985 1 776 . 1 1 87 87 ILE CD1 C 13 12.595 0.057 . 1 . 955 . . 272 ILE CD1 . 25985 1 777 . 1 1 87 87 ILE N N 15 119.418 0.041 . 1 . 288 . . 272 ILE N . 25985 1 778 . 1 1 88 88 TYR H H 1 8.887 0.006 . 1 . 127 . . 273 TYR H . 25985 1 779 . 1 1 88 88 TYR HA H 1 5.821 0.005 . 1 . 1189 . . 273 TYR HA . 25985 1 780 . 1 1 88 88 TYR HB2 H 1 2.588 0.005 . 2 . 797 . . 273 TYR HB2 . 25985 1 781 . 1 1 88 88 TYR HB3 H 1 3.046 0.007 . 2 . 796 . . 273 TYR HB3 . 25985 1 782 . 1 1 88 88 TYR HD1 H 1 7.135 0.006 . 3 . 866 . . 273 TYR HD1 . 25985 1 783 . 1 1 88 88 TYR HD2 H 1 7.135 0.006 . 3 . 866 . . 273 TYR HD2 . 25985 1 784 . 1 1 88 88 TYR HE1 H 1 7.057 0.004 . 3 . 868 . . 273 TYR HE1 . 25985 1 785 . 1 1 88 88 TYR HE2 H 1 7.057 0.004 . 3 . 868 . . 273 TYR HE2 . 25985 1 786 . 1 1 88 88 TYR CA C 13 56.600 0.191 . 1 . 646 . . 273 TYR CA . 25985 1 787 . 1 1 88 88 TYR CB C 13 42.254 . . 1 . 1506 . . 273 TYR CB . 25985 1 788 . 1 1 88 88 TYR N N 15 122.149 0.028 . 1 . 128 . . 273 TYR N . 25985 1 789 . 1 1 89 89 ARG H H 1 9.281 0.003 . 1 . 115 . . 274 ARG H . 25985 1 790 . 1 1 89 89 ARG HA H 1 5.004 0.002 . 1 . 1192 . . 274 ARG HA . 25985 1 791 . 1 1 89 89 ARG HB2 H 1 1.555 0.004 . 2 . 1190 . . 274 ARG HB2 . 25985 1 792 . 1 1 89 89 ARG HB3 H 1 1.446 0.006 . 2 . 1191 . . 274 ARG HB3 . 25985 1 793 . 1 1 89 89 ARG CA C 13 54.559 0.0 . 1 . 437 . . 274 ARG CA . 25985 1 794 . 1 1 89 89 ARG CB C 13 33.312 . . 1 . 1507 . . 274 ARG CB . 25985 1 795 . 1 1 89 89 ARG N N 15 121.534 0.055 . 1 . 116 . . 274 ARG N . 25985 1 796 . 1 1 90 90 VAL H H 1 9.620 0.012 . 1 . 43 . . 275 VAL H . 25985 1 797 . 1 1 90 90 VAL HA H 1 4.711 0.007 . 1 . 793 . . 275 VAL HA . 25985 1 798 . 1 1 90 90 VAL HB H 1 1.760 0.006 . 1 . 1208 . . 275 VAL HB . 25985 1 799 . 1 1 90 90 VAL HG11 H 1 0.636 0.01 . 2 . 1200 . . 275 VAL HG11 . 25985 1 800 . 1 1 90 90 VAL HG12 H 1 0.636 0.01 . 2 . 1200 . . 275 VAL HG12 . 25985 1 801 . 1 1 90 90 VAL HG13 H 1 0.636 0.01 . 2 . 1200 . . 275 VAL HG13 . 25985 1 802 . 1 1 90 90 VAL HG21 H 1 1.018 0.007 . 2 . 774 . . 275 VAL HG21 . 25985 1 803 . 1 1 90 90 VAL HG22 H 1 1.018 0.007 . 2 . 774 . . 275 VAL HG22 . 25985 1 804 . 1 1 90 90 VAL HG23 H 1 1.018 0.007 . 2 . 774 . . 275 VAL HG23 . 25985 1 805 . 1 1 90 90 VAL CA C 13 60.956 . . 1 . 425 . . 275 VAL CA . 25985 1 806 . 1 1 90 90 VAL CB C 13 32.955 0.051 . 1 . 1209 . . 275 VAL CB . 25985 1 807 . 1 1 90 90 VAL CG1 C 13 22.749 0.009 . 2 . 1201 . . 275 VAL CG1 . 25985 1 808 . 1 1 90 90 VAL CG2 C 13 21.361 0.075 . 2 . 775 . . 275 VAL CG2 . 25985 1 809 . 1 1 90 90 VAL N N 15 132.569 0.186 . 1 . 44 . . 275 VAL N . 25985 1 810 . 1 1 91 91 THR H H 1 8.940 0.008 . 1 . 88 . . 276 THR H . 25985 1 811 . 1 1 91 91 THR HA H 1 5.190 0.004 . 1 . 763 . . 276 THR HA . 25985 1 812 . 1 1 91 91 THR HB H 1 3.988 0.003 . 1 . 794 . . 276 THR HB . 25985 1 813 . 1 1 91 91 THR HG21 H 1 0.605 0.004 . 1 . 795 . . 276 THR HG21 . 25985 1 814 . 1 1 91 91 THR HG22 H 1 0.605 0.004 . 1 . 795 . . 276 THR HG22 . 25985 1 815 . 1 1 91 91 THR HG23 H 1 0.605 0.004 . 1 . 795 . . 276 THR HG23 . 25985 1 816 . 1 1 91 91 THR CA C 13 61.658 0.1 . 1 . 650 . . 276 THR CA . 25985 1 817 . 1 1 91 91 THR CB C 13 70.538 0.146 . 1 . 1508 . . 276 THR CB . 25985 1 818 . 1 1 91 91 THR CG2 C 13 21.945 0.027 . 1 . 1220 . . 276 THR CG2 . 25985 1 819 . 1 1 91 91 THR N N 15 124.236 0.042 . 1 . 89 . . 276 THR N . 25985 1 820 . 1 1 92 92 TRP H H 1 8.819 0.005 . 1 . 408 . . 277 TRP H . 25985 1 821 . 1 1 92 92 TRP HA H 1 5.637 0.005 . 1 . 764 . . 277 TRP HA . 25985 1 822 . 1 1 92 92 TRP HB2 H 1 2.954 0.003 . 2 . 1510 . . 277 TRP HB2 . 25985 1 823 . 1 1 92 92 TRP HB3 H 1 3.167 0.003 . 2 . 1509 . . 277 TRP HB3 . 25985 1 824 . 1 1 92 92 TRP HD1 H 1 6.425 0.005 . 1 . 875 . . 277 TRP HD1 . 25985 1 825 . 1 1 92 92 TRP HE1 H 1 5.505 0.004 . 1 . 409 . . 277 TRP HE1 . 25985 1 826 . 1 1 92 92 TRP HZ2 H 1 6.955 0.004 . 1 . 888 . . 277 TRP HZ2 . 25985 1 827 . 1 1 92 92 TRP HH2 H 1 6.836 0.003 . 1 . 889 . . 277 TRP HH2 . 25985 1 828 . 1 1 92 92 TRP CA C 13 52.199 0.08 . 1 . 649 . . 277 TRP CA . 25985 1 829 . 1 1 92 92 TRP CB C 13 33.284 . . 1 . 1511 . . 277 TRP CB . 25985 1 830 . 1 1 92 92 TRP N N 15 124.146 0.111 . 1 . 295 . . 277 TRP N . 25985 1 831 . 1 1 92 92 TRP NE1 N 15 118.977 0.016 . 1 . 410 . . 277 TRP NE1 . 25985 1 832 . 1 1 93 93 PHE H H 1 9.588 0.007 . 1 . 196 . . 278 PHE H . 25985 1 833 . 1 1 93 93 PHE HA H 1 5.594 0.006 . 1 . 785 . . 278 PHE HA . 25985 1 834 . 1 1 93 93 PHE HB3 H 1 2.961 0.008 . 1 . 1193 . . 278 PHE HB3 . 25985 1 835 . 1 1 93 93 PHE HD1 H 1 6.817 0.002 . 3 . 786 . . 278 PHE HD1 . 25985 1 836 . 1 1 93 93 PHE HD2 H 1 6.817 0.002 . 3 . 786 . . 278 PHE HD2 . 25985 1 837 . 1 1 93 93 PHE HE1 H 1 6.830 0.0 . 3 . 1554 . . 278 PHE HE1 . 25985 1 838 . 1 1 93 93 PHE HE2 H 1 6.830 0.0 . 3 . 1554 . . 278 PHE HE2 . 25985 1 839 . 1 1 93 93 PHE HZ H 1 6.861 0.001 . 1 . 1221 . . 278 PHE HZ . 25985 1 840 . 1 1 93 93 PHE CA C 13 56.752 0.01 . 1 . 648 . . 278 PHE CA . 25985 1 841 . 1 1 93 93 PHE CB C 13 39.350 . . 1 . 1298 . . 278 PHE CB . 25985 1 842 . 1 1 93 93 PHE N N 15 123.133 0.017 . 1 . 197 . . 278 PHE N . 25985 1 843 . 1 1 94 94 ILE H H 1 9.827 0.006 . 1 . 133 . . 279 ILE H . 25985 1 844 . 1 1 94 94 ILE HA H 1 5.914 0.004 . 1 . 901 . . 279 ILE HA . 25985 1 845 . 1 1 94 94 ILE HB H 1 1.492 0.003 . 1 . 1512 . . 279 ILE HB . 25985 1 846 . 1 1 94 94 ILE HG12 H 1 0.870 0.002 . 1 . 871 . . 279 ILE HG12 . 25985 1 847 . 1 1 94 94 ILE HG21 H 1 0.971 0.004 . 1 . 728 . . 279 ILE HG21 . 25985 1 848 . 1 1 94 94 ILE HG22 H 1 0.971 0.004 . 1 . 728 . . 279 ILE HG22 . 25985 1 849 . 1 1 94 94 ILE HG23 H 1 0.971 0.004 . 1 . 728 . . 279 ILE HG23 . 25985 1 850 . 1 1 94 94 ILE HD11 H 1 0.755 0.004 . 1 . 874 . . 279 ILE HD11 . 25985 1 851 . 1 1 94 94 ILE HD12 H 1 0.755 0.004 . 1 . 874 . . 279 ILE HD12 . 25985 1 852 . 1 1 94 94 ILE HD13 H 1 0.755 0.004 . 1 . 874 . . 279 ILE HD13 . 25985 1 853 . 1 1 94 94 ILE CA C 13 58.177 . . 1 . 434 . . 279 ILE CA . 25985 1 854 . 1 1 94 94 ILE CB C 13 45.256 . . 1 . 1513 . . 279 ILE CB . 25985 1 855 . 1 1 94 94 ILE CG1 C 13 29.368 0.098 . 1 . 872 . . 279 ILE CG1 . 25985 1 856 . 1 1 94 94 ILE CG2 C 13 14.222 0.072 . 1 . 727 . . 279 ILE CG2 . 25985 1 857 . 1 1 94 94 ILE CD1 C 13 14.910 0.094 . 1 . 873 . . 279 ILE CD1 . 25985 1 858 . 1 1 94 94 ILE N N 15 124.985 0.078 . 1 . 134 . . 279 ILE N . 25985 1 859 . 1 1 95 95 SER H H 1 9.048 0.005 . 1 . 629 . . 280 SER H . 25985 1 860 . 1 1 95 95 SER HA H 1 3.651 0.004 . 1 . 1558 . . 280 SER HA . 25985 1 861 . 1 1 95 95 SER CB C 13 60.853 . . 1 . 631 . . 280 SER CB . 25985 1 862 . 1 1 95 95 SER N N 15 124.281 0.04 . 1 . 630 . . 280 SER N . 25985 1 863 . 1 1 96 96 TRP H H 1 6.459 0.008 . 1 . 121 . . 281 TRP H . 25985 1 864 . 1 1 96 96 TRP HA H 1 5.276 0.009 . 1 . 1443 . . 281 TRP HA . 25985 1 865 . 1 1 96 96 TRP HB2 H 1 2.947 0.002 . 2 . 1195 . . 281 TRP HB2 . 25985 1 866 . 1 1 96 96 TRP HB3 H 1 2.915 . . 2 . 1194 . . 281 TRP HB3 . 25985 1 867 . 1 1 96 96 TRP HE1 H 1 9.874 0.004 . 1 . 2004 . . 281 TRP HE1 . 25985 1 868 . 1 1 96 96 TRP HE3 H 1 6.388 0.004 . 1 . 895 . . 281 TRP HE3 . 25985 1 869 . 1 1 96 96 TRP HZ3 H 1 6.213 0.002 . 1 . 896 . . 281 TRP HZ3 . 25985 1 870 . 1 1 96 96 TRP HH2 H 1 6.659 0.003 . 1 . 897 . . 281 TRP HH2 . 25985 1 871 . 1 1 96 96 TRP CA C 13 54.647 0.193 . 1 . 390 . . 281 TRP CA . 25985 1 872 . 1 1 96 96 TRP CB C 13 33.907 0.003 . 1 . 389 . . 281 TRP CB . 25985 1 873 . 1 1 96 96 TRP N N 15 115.681 0.12 . 1 . 122 . . 281 TRP N . 25985 1 874 . 1 1 96 96 TRP NE1 N 15 128.067 0.046 . 1 . 1996 . . 281 TRP NE1 . 25985 1 875 . 1 1 97 97 SER H H 1 8.480 0.006 . 1 . 391 . . 282 SER H . 25985 1 876 . 1 1 97 97 SER HA H 1 4.326 0.004 . 1 . 1630 . . 282 SER HA . 25985 1 877 . 1 1 97 97 SER HB2 H 1 3.840 0.0 . 2 . 1631 . . 282 SER HB2 . 25985 1 878 . 1 1 97 97 SER HB3 H 1 3.883 0.001 . 2 . 1629 . . 282 SER HB3 . 25985 1 879 . 1 1 97 97 SER CA C 13 58.250 . . 1 . 387 . . 282 SER CA . 25985 1 880 . 1 1 97 97 SER CB C 13 61.429 . . 1 . 388 . . 282 SER CB . 25985 1 881 . 1 1 97 97 SER N N 15 115.112 0.029 . 1 . 292 . . 282 SER N . 25985 1 882 . 1 1 98 98 PRO HB3 H 1 1.799 0.005 . 1 . 1515 . . 283 PRO HB3 . 25985 1 883 . 1 1 99 99 CYS H H 1 8.766 0.009 . 1 . 61 . . 284 CYS H . 25985 1 884 . 1 1 99 99 CYS HA H 1 4.360 0.0 . 1 . 1619 . . 284 CYS HA . 25985 1 885 . 1 1 99 99 CYS HB3 H 1 3.181 0.001 . 1 . 1516 . . 284 CYS HB3 . 25985 1 886 . 1 1 99 99 CYS CA C 13 59.085 . . 1 . 567 . . 284 CYS CA . 25985 1 887 . 1 1 99 99 CYS CB C 13 30.465 0.62 . 1 . 568 . . 284 CYS CB . 25985 1 888 . 1 1 99 99 CYS N N 15 122.664 0.039 . 1 . 62 . . 284 CYS N . 25985 1 889 . 1 1 100 100 PHE H H 1 9.259 0.007 . 1 . 242 . . 285 PHE H . 25985 1 890 . 1 1 100 100 PHE HB2 H 1 2.936 0.0 . 2 . 1628 . . 285 PHE HB2 . 25985 1 891 . 1 1 100 100 PHE HB3 H 1 3.066 0.006 . 2 . 847 . . 285 PHE HB3 . 25985 1 892 . 1 1 100 100 PHE HD1 H 1 6.897 0.004 . 3 . 836 . . 285 PHE HD1 . 25985 1 893 . 1 1 100 100 PHE HD2 H 1 6.897 0.004 . 3 . 836 . . 285 PHE HD2 . 25985 1 894 . 1 1 100 100 PHE HE1 H 1 7.242 0.004 . 3 . 837 . . 285 PHE HE1 . 25985 1 895 . 1 1 100 100 PHE HE2 H 1 7.242 0.004 . 3 . 837 . . 285 PHE HE2 . 25985 1 896 . 1 1 100 100 PHE CA C 13 58.952 . . 1 . 446 . . 285 PHE CA . 25985 1 897 . 1 1 100 100 PHE CB C 13 45.205 . . 1 . 566 . . 285 PHE CB . 25985 1 898 . 1 1 100 100 PHE N N 15 114.960 0.102 . 1 . 243 . . 285 PHE N . 25985 1 899 . 1 1 101 101 SER H H 1 10.846 0.008 . 1 . 194 . . 286 SER H . 25985 1 900 . 1 1 101 101 SER HA H 1 3.840 0.004 . 1 . 1519 . . 286 SER HA . 25985 1 901 . 1 1 101 101 SER CA C 13 63.378 . . 1 . 447 . . 286 SER CA . 25985 1 902 . 1 1 101 101 SER CB C 13 61.218 0.077 . 1 . 448 . . 286 SER CB . 25985 1 903 . 1 1 101 101 SER N N 15 119.607 0.084 . 1 . 195 . . 286 SER N . 25985 1 904 . 1 1 102 102 TRP H H 1 7.873 0.003 . 1 . 2018 . . 287 TRP H . 25985 1 905 . 1 1 102 102 TRP HA H 1 3.714 0.003 . 1 . 1518 . . 287 TRP HA . 25985 1 906 . 1 1 102 102 TRP HB3 H 1 3.172 0.004 . 1 . 1520 . . 287 TRP HB3 . 25985 1 907 . 1 1 102 102 TRP HD1 H 1 7.246 0.002 . 1 . 750 . . 287 TRP HD1 . 25985 1 908 . 1 1 102 102 TRP HE1 H 1 10.192 0.002 . 1 . 749 . . 287 TRP HE1 . 25985 1 909 . 1 1 102 102 TRP HZ2 H 1 7.603 0.003 . 1 . 751 . . 287 TRP HZ2 . 25985 1 910 . 1 1 102 102 TRP CA C 13 59.249 . . 1 . 398 . . 287 TRP CA . 25985 1 911 . 1 1 102 102 TRP CB C 13 27.244 0.123 . 1 . 712 . . 287 TRP CB . 25985 1 912 . 1 1 102 102 TRP N N 15 117.829 0.003 . 1 . 2019 . . 287 TRP N . 25985 1 913 . 1 1 102 102 TRP NE1 N 15 130.234 0.119 . 1 . 752 . . 287 TRP NE1 . 25985 1 914 . 1 1 103 103 GLY H H 1 7.400 0.008 . 1 . 156 . . 288 GLY H . 25985 1 915 . 1 1 103 103 GLY HA2 H 1 4.278 0.002 . 2 . 1522 . . 288 GLY HA2 . 25985 1 916 . 1 1 103 103 GLY HA3 H 1 3.651 0.01 . 2 . 1521 . . 288 GLY HA3 . 25985 1 917 . 1 1 103 103 GLY CA C 13 46.096 0.152 . 1 . 397 . . 288 GLY CA . 25985 1 918 . 1 1 103 103 GLY N N 15 106.297 0.117 . 1 . 157 . . 288 GLY N . 25985 1 919 . 1 1 104 104 CYS H H 1 7.358 0.005 . 1 . 51 . . 289 CYS H . 25985 1 920 . 1 1 104 104 CYS HA H 1 3.859 0.004 . 1 . 1523 . . 289 CYS HA . 25985 1 921 . 1 1 104 104 CYS HB2 H 1 3.561 0.004 . 2 . 1525 . . 289 CYS HB2 . 25985 1 922 . 1 1 104 104 CYS HB3 H 1 2.654 0.003 . 2 . 1524 . . 289 CYS HB3 . 25985 1 923 . 1 1 104 104 CYS CA C 13 66.945 0.127 . 1 . 504 . . 289 CYS CA . 25985 1 924 . 1 1 104 104 CYS CB C 13 28.627 0.121 . 1 . 505 . . 289 CYS CB . 25985 1 925 . 1 1 104 104 CYS N N 15 120.571 0.09 . 1 . 52 . . 289 CYS N . 25985 1 926 . 1 1 105 105 ALA H H 1 8.734 0.005 . 1 . 258 . . 290 ALA H . 25985 1 927 . 1 1 105 105 ALA HA H 1 3.831 0.007 . 1 . 920 . . 290 ALA HA . 25985 1 928 . 1 1 105 105 ALA HB1 H 1 1.610 0.005 . 1 . 688 . . 290 ALA HB1 . 25985 1 929 . 1 1 105 105 ALA HB2 H 1 1.610 0.005 . 1 . 688 . . 290 ALA HB2 . 25985 1 930 . 1 1 105 105 ALA HB3 H 1 1.610 0.005 . 1 . 688 . . 290 ALA HB3 . 25985 1 931 . 1 1 105 105 ALA CA C 13 56.783 0.17 . 1 . 503 . . 290 ALA CA . 25985 1 932 . 1 1 105 105 ALA CB C 13 18.316 0.171 . 1 . 502 . . 290 ALA CB . 25985 1 933 . 1 1 105 105 ALA N N 15 119.471 0.037 . 1 . 259 . . 290 ALA N . 25985 1 934 . 1 1 106 106 GLY H H 1 8.540 0.005 . 1 . 238 . . 291 GLY H . 25985 1 935 . 1 1 106 106 GLY HA2 H 1 3.845 0.007 . 2 . 1527 . . 291 GLY HA2 . 25985 1 936 . 1 1 106 106 GLY HA3 H 1 3.707 0.008 . 2 . 1526 . . 291 GLY HA3 . 25985 1 937 . 1 1 106 106 GLY CA C 13 46.886 0.091 . 1 . 501 . . 291 GLY CA . 25985 1 938 . 1 1 106 106 GLY N N 15 103.828 0.042 . 1 . 239 . . 291 GLY N . 25985 1 939 . 1 1 107 107 GLU H H 1 7.932 0.005 . 1 . 19 . . 292 GLU H . 25985 1 940 . 1 1 107 107 GLU HA H 1 4.254 0.006 . 1 . 1528 . . 292 GLU HA . 25985 1 941 . 1 1 107 107 GLU HB2 H 1 2.290 0.005 . 2 . 1529 . . 292 GLU HB2 . 25985 1 942 . 1 1 107 107 GLU HB3 H 1 1.968 0.002 . 2 . 1530 . . 292 GLU HB3 . 25985 1 943 . 1 1 107 107 GLU CA C 13 59.482 0.143 . 1 . 512 . . 292 GLU CA . 25985 1 944 . 1 1 107 107 GLU CB C 13 28.458 0.077 . 1 . 511 . . 292 GLU CB . 25985 1 945 . 1 1 107 107 GLU N N 15 122.953 0.068 . 1 . 20 . . 292 GLU N . 25985 1 946 . 1 1 108 108 VAL H H 1 8.852 0.006 . 1 . 33 . . 293 VAL H . 25985 1 947 . 1 1 108 108 VAL HA H 1 3.663 0.006 . 1 . 919 . . 293 VAL HA . 25985 1 948 . 1 1 108 108 VAL HB H 1 2.151 0.009 . 1 . 918 . . 293 VAL HB . 25985 1 949 . 1 1 108 108 VAL HG11 H 1 0.655 0.005 . 2 . 1198 . . 293 VAL HG11 . 25985 1 950 . 1 1 108 108 VAL HG12 H 1 0.655 0.005 . 2 . 1198 . . 293 VAL HG12 . 25985 1 951 . 1 1 108 108 VAL HG13 H 1 0.655 0.005 . 2 . 1198 . . 293 VAL HG13 . 25985 1 952 . 1 1 108 108 VAL HG21 H 1 1.125 0.005 . 2 . 916 . . 293 VAL HG21 . 25985 1 953 . 1 1 108 108 VAL HG22 H 1 1.125 0.005 . 2 . 916 . . 293 VAL HG22 . 25985 1 954 . 1 1 108 108 VAL HG23 H 1 1.125 0.005 . 2 . 916 . . 293 VAL HG23 . 25985 1 955 . 1 1 108 108 VAL CA C 13 67.298 0.189 . 1 . 509 . . 293 VAL CA . 25985 1 956 . 1 1 108 108 VAL CB C 13 31.062 0.169 . 1 . 510 . . 293 VAL CB . 25985 1 957 . 1 1 108 108 VAL CG1 C 13 22.745 0.125 . 2 . 1199 . . 293 VAL CG1 . 25985 1 958 . 1 1 108 108 VAL CG2 C 13 23.682 0.136 . 2 . 917 . . 293 VAL CG2 . 25985 1 959 . 1 1 108 108 VAL N N 15 121.958 0.1 . 1 . 34 . . 293 VAL N . 25985 1 960 . 1 1 109 109 ARG H H 1 8.598 0.005 . 1 . 214 . . 294 ARG H . 25985 1 961 . 1 1 109 109 ARG HA H 1 3.794 . . 1 . 1531 . . 294 ARG HA . 25985 1 962 . 1 1 109 109 ARG HB2 H 1 1.681 0.005 . 1 . 1532 . . 294 ARG HB2 . 25985 1 963 . 1 1 109 109 ARG CA C 13 60.525 0.056 . 1 . 507 . . 294 ARG CA . 25985 1 964 . 1 1 109 109 ARG CB C 13 28.794 0.068 . 1 . 508 . . 294 ARG CB . 25985 1 965 . 1 1 109 109 ARG N N 15 120.481 0.056 . 1 . 215 . . 294 ARG N . 25985 1 966 . 1 1 110 110 ALA H H 1 7.805 0.004 . 1 . 285 . . 295 ALA H . 25985 1 967 . 1 1 110 110 ALA HA H 1 4.100 0.007 . 1 . 1276 . . 295 ALA HA . 25985 1 968 . 1 1 110 110 ALA HB1 H 1 1.526 0.008 . 1 . 1277 . . 295 ALA HB1 . 25985 1 969 . 1 1 110 110 ALA HB2 H 1 1.526 0.008 . 1 . 1277 . . 295 ALA HB2 . 25985 1 970 . 1 1 110 110 ALA HB3 H 1 1.526 0.008 . 1 . 1277 . . 295 ALA HB3 . 25985 1 971 . 1 1 110 110 ALA CA C 13 55.374 0.108 . 1 . 1278 . . 295 ALA CA . 25985 1 972 . 1 1 110 110 ALA CB C 13 17.878 0.217 . 1 . 506 . . 295 ALA CB . 25985 1 973 . 1 1 110 110 ALA N N 15 120.656 0.099 . 1 . 286 . . 295 ALA N . 25985 1 974 . 1 1 111 111 PHE H H 1 8.096 0.007 . 1 . 149 . . 296 PHE H . 25985 1 975 . 1 1 111 111 PHE HA H 1 4.322 0.005 . 1 . 1533 . . 296 PHE HA . 25985 1 976 . 1 1 111 111 PHE HB2 H 1 3.665 0.005 . 2 . 1144 . . 296 PHE HB2 . 25985 1 977 . 1 1 111 111 PHE HB3 H 1 3.405 0.006 . 2 . 1143 . . 296 PHE HB3 . 25985 1 978 . 1 1 111 111 PHE HD1 H 1 7.207 0.004 . 3 . 850 . . 296 PHE HD1 . 25985 1 979 . 1 1 111 111 PHE HD2 H 1 7.207 0.004 . 3 . 850 . . 296 PHE HD2 . 25985 1 980 . 1 1 111 111 PHE HE1 H 1 7.091 0.006 . 3 . 848 . . 296 PHE HE1 . 25985 1 981 . 1 1 111 111 PHE HE2 H 1 7.091 0.006 . 3 . 848 . . 296 PHE HE2 . 25985 1 982 . 1 1 111 111 PHE HZ H 1 6.935 0.005 . 1 . 849 . . 296 PHE HZ . 25985 1 983 . 1 1 111 111 PHE CA C 13 61.536 0.086 . 1 . 654 . . 296 PHE CA . 25985 1 984 . 1 1 111 111 PHE CB C 13 38.844 0.238 . 1 . 655 . . 296 PHE CB . 25985 1 985 . 1 1 111 111 PHE N N 15 119.016 0.146 . 1 . 150 . . 296 PHE N . 25985 1 986 . 1 1 112 112 LEU H H 1 8.584 0.008 . 1 . 1536 . . 297 LEU H . 25985 1 987 . 1 1 112 112 LEU HA H 1 3.772 0.008 . 1 . 1537 . . 297 LEU HA . 25985 1 988 . 1 1 112 112 LEU HB3 H 1 1.539 0.003 . 1 . 1542 . . 297 LEU HB3 . 25985 1 989 . 1 1 112 112 LEU HG H 1 1.746 0.002 . 1 . 1541 . . 297 LEU HG . 25985 1 990 . 1 1 112 112 LEU HD11 H 1 0.774 0.005 . 2 . 1539 . . 297 LEU HD11 . 25985 1 991 . 1 1 112 112 LEU HD12 H 1 0.774 0.005 . 2 . 1539 . . 297 LEU HD12 . 25985 1 992 . 1 1 112 112 LEU HD13 H 1 0.774 0.005 . 2 . 1539 . . 297 LEU HD13 . 25985 1 993 . 1 1 112 112 LEU HD21 H 1 0.718 0.005 . 2 . 1540 . . 297 LEU HD21 . 25985 1 994 . 1 1 112 112 LEU HD22 H 1 0.718 0.005 . 2 . 1540 . . 297 LEU HD22 . 25985 1 995 . 1 1 112 112 LEU HD23 H 1 0.718 0.005 . 2 . 1540 . . 297 LEU HD23 . 25985 1 996 . 1 1 112 112 LEU CA C 13 56.695 0.025 . 1 . 1546 . . 297 LEU CA . 25985 1 997 . 1 1 112 112 LEU CB C 13 40.441 0.108 . 1 . 632 . . 297 LEU CB . 25985 1 998 . 1 1 112 112 LEU CG C 13 25.665 . . 1 . 1545 . . 297 LEU CG . 25985 1 999 . 1 1 112 112 LEU N N 15 120.190 0.018 . 1 . 1535 . . 297 LEU N . 25985 1 1000 . 1 1 113 113 GLN H H 1 8.145 0.005 . 1 . 244 . . 298 GLN H . 25985 1 1001 . 1 1 113 113 GLN HA H 1 3.990 0.006 . 1 . 1534 . . 298 GLN HA . 25985 1 1002 . 1 1 113 113 GLN HB2 H 1 2.264 0.002 . 2 . 1548 . . 298 GLN HB2 . 25985 1 1003 . 1 1 113 113 GLN HB3 H 1 2.069 0.006 . 2 . 1547 . . 298 GLN HB3 . 25985 1 1004 . 1 1 113 113 GLN HG2 H 1 2.388 0.003 . 2 . 1035 . . 298 GLN HG2 . 25985 1 1005 . 1 1 113 113 GLN HG3 H 1 2.573 0.004 . 2 . 1032 . . 298 GLN HG3 . 25985 1 1006 . 1 1 113 113 GLN HE21 H 1 6.724 0.004 . 1 . 1037 . . 298 GLN HE21 . 25985 1 1007 . 1 1 113 113 GLN HE22 H 1 7.504 0.003 . 1 . 1034 . . 298 GLN HE22 . 25985 1 1008 . 1 1 113 113 GLN CA C 13 58.468 0.124 . 1 . 591 . . 298 GLN CA . 25985 1 1009 . 1 1 113 113 GLN CB C 13 28.520 0.199 . 1 . 667 . . 298 GLN CB . 25985 1 1010 . 1 1 113 113 GLN CG C 13 34.593 0.108 . 1 . 1036 . . 298 GLN CG . 25985 1 1011 . 1 1 113 113 GLN N N 15 117.637 0.064 . 1 . 245 . . 298 GLN N . 25985 1 1012 . 1 1 113 113 GLN NE2 N 15 110.962 0.11 . 1 . 1033 . . 298 GLN NE2 . 25985 1 1013 . 1 1 114 114 GLU H H 1 7.407 0.007 . 1 . 554 . . 299 GLU H . 25985 1 1014 . 1 1 114 114 GLU HA H 1 4.288 0.004 . 1 . 1119 . . 299 GLU HA . 25985 1 1015 . 1 1 114 114 GLU HB2 H 1 1.940 0.005 . 2 . 1294 . . 299 GLU HB2 . 25985 1 1016 . 1 1 114 114 GLU HB3 H 1 2.036 0.009 . 2 . 1295 . . 299 GLU HB3 . 25985 1 1017 . 1 1 114 114 GLU HG2 H 1 2.373 0.004 . 2 . 1293 . . 299 GLU HG2 . 25985 1 1018 . 1 1 114 114 GLU HG3 H 1 2.269 0.006 . 2 . 1292 . . 299 GLU HG3 . 25985 1 1019 . 1 1 114 114 GLU CA C 13 57.012 0.081 . 1 . 321 . . 299 GLU CA . 25985 1 1020 . 1 1 114 114 GLU CB C 13 30.880 0.199 . 1 . 322 . . 299 GLU CB . 25985 1 1021 . 1 1 114 114 GLU CG C 13 36.286 0.082 . 1 . 1291 . . 299 GLU CG . 25985 1 1022 . 1 1 114 114 GLU N N 15 115.330 0.086 . 1 . 555 . . 299 GLU N . 25985 1 1023 . 1 1 115 115 ASN H H 1 7.571 0.007 . 1 . 229 . . 300 ASN H . 25985 1 1024 . 1 1 115 115 ASN HA H 1 5.053 0.008 . 1 . 852 . . 300 ASN HA . 25985 1 1025 . 1 1 115 115 ASN HB2 H 1 2.041 . . 2 . 1626 . . 300 ASN HB2 . 25985 1 1026 . 1 1 115 115 ASN HB3 H 1 1.926 0.007 . 2 . 851 . . 300 ASN HB3 . 25985 1 1027 . 1 1 115 115 ASN CA C 13 52.132 0.118 . 1 . 319 . . 300 ASN CA . 25985 1 1028 . 1 1 115 115 ASN CB C 13 38.079 0.1 . 1 . 320 . . 300 ASN CB . 25985 1 1029 . 1 1 115 115 ASN N N 15 119.761 0.078 . 1 . 230 . . 300 ASN N . 25985 1 1030 . 1 1 116 116 THR H H 1 8.084 0.003 . 1 . 273 . . 301 THR H . 25985 1 1031 . 1 1 116 116 THR HA H 1 4.308 0.009 . 1 . 1171 . . 301 THR HA . 25985 1 1032 . 1 1 116 116 THR HB H 1 4.536 0.007 . 1 . 1172 . . 301 THR HB . 25985 1 1033 . 1 1 116 116 THR HG21 H 1 1.324 0.007 . 1 . 1170 . . 301 THR HG21 . 25985 1 1034 . 1 1 116 116 THR HG22 H 1 1.324 0.007 . 1 . 1170 . . 301 THR HG22 . 25985 1 1035 . 1 1 116 116 THR HG23 H 1 1.324 0.007 . 1 . 1170 . . 301 THR HG23 . 25985 1 1036 . 1 1 116 116 THR CA C 13 64.017 0.157 . 1 . 318 . . 301 THR CA . 25985 1 1037 . 1 1 116 116 THR CB C 13 68.613 0.075 . 1 . 317 . . 301 THR CB . 25985 1 1038 . 1 1 116 116 THR CG2 C 13 22.157 0.081 . 1 . 1219 . . 301 THR CG2 . 25985 1 1039 . 1 1 116 116 THR N N 15 111.090 0.099 . 1 . 274 . . 301 THR N . 25985 1 1040 . 1 1 117 117 HIS H H 1 9.387 0.007 . 1 . 172 . . 302 HIS H . 25985 1 1041 . 1 1 117 117 HIS HA H 1 4.297 0.002 . 1 . 1173 . . 302 HIS HA . 25985 1 1042 . 1 1 117 117 HIS HB2 H 1 3.372 0.007 . 2 . 1550 . . 302 HIS HB2 . 25985 1 1043 . 1 1 117 117 HIS HB3 H 1 3.160 0.001 . 2 . 1551 . . 302 HIS HB3 . 25985 1 1044 . 1 1 117 117 HIS HD2 H 1 8.140 0.008 . 1 . 853 . . 302 HIS HD2 . 25985 1 1045 . 1 1 117 117 HIS HE1 H 1 7.563 0.002 . 1 . 1549 . . 302 HIS HE1 . 25985 1 1046 . 1 1 117 117 HIS CA C 13 56.742 0.111 . 1 . 627 . . 302 HIS CA . 25985 1 1047 . 1 1 117 117 HIS CB C 13 29.480 0.0 . 1 . 628 . . 302 HIS CB . 25985 1 1048 . 1 1 117 117 HIS N N 15 120.714 0.081 . 1 . 173 . . 302 HIS N . 25985 1 1049 . 1 1 118 118 VAL H H 1 7.411 0.005 . 1 . 193 . . 303 VAL H . 25985 1 1050 . 1 1 118 118 VAL HA H 1 4.535 0.006 . 1 . 798 . . 303 VAL HA . 25985 1 1051 . 1 1 118 118 VAL HB H 1 1.777 0.006 . 1 . 682 . . 303 VAL HB . 25985 1 1052 . 1 1 118 118 VAL HG11 H 1 0.714 0.005 . 2 . 1174 . . 303 VAL HG11 . 25985 1 1053 . 1 1 118 118 VAL HG12 H 1 0.714 0.005 . 2 . 1174 . . 303 VAL HG12 . 25985 1 1054 . 1 1 118 118 VAL HG13 H 1 0.714 0.005 . 2 . 1174 . . 303 VAL HG13 . 25985 1 1055 . 1 1 118 118 VAL HG21 H 1 0.166 0.006 . 2 . 678 . . 303 VAL HG21 . 25985 1 1056 . 1 1 118 118 VAL HG22 H 1 0.166 0.006 . 2 . 678 . . 303 VAL HG22 . 25985 1 1057 . 1 1 118 118 VAL HG23 H 1 0.166 0.006 . 2 . 678 . . 303 VAL HG23 . 25985 1 1058 . 1 1 118 118 VAL CA C 13 61.827 0.105 . 1 . 652 . . 303 VAL CA . 25985 1 1059 . 1 1 118 118 VAL CB C 13 33.050 0.079 . 1 . 626 . . 303 VAL CB . 25985 1 1060 . 1 1 118 118 VAL CG1 C 13 21.838 0.065 . 2 . 1175 . . 303 VAL CG1 . 25985 1 1061 . 1 1 118 118 VAL CG2 C 13 20.959 0.101 . 2 . 780 . . 303 VAL CG2 . 25985 1 1062 . 1 1 118 118 VAL N N 15 120.178 0.075 . 1 . 672 . . 303 VAL N . 25985 1 1063 . 1 1 119 119 ARG H H 1 8.815 0.004 . 1 . 111 . . 304 ARG H . 25985 1 1064 . 1 1 119 119 ARG HA H 1 4.800 0.005 . 1 . 1178 . . 304 ARG HA . 25985 1 1065 . 1 1 119 119 ARG HB2 H 1 1.826 0.003 . 2 . 1176 . . 304 ARG HB2 . 25985 1 1066 . 1 1 119 119 ARG HB3 H 1 1.710 0.002 . 2 . 1177 . . 304 ARG HB3 . 25985 1 1067 . 1 1 119 119 ARG CA C 13 52.839 0.104 . 1 . 651 . . 304 ARG CA . 25985 1 1068 . 1 1 119 119 ARG CB C 13 30.165 0.151 . 1 . 314 . . 304 ARG CB . 25985 1 1069 . 1 1 119 119 ARG N N 15 124.843 0.008 . 1 . 112 . . 304 ARG N . 25985 1 1070 . 1 1 120 120 LEU H H 1 9.287 0.004 . 1 . 137 . . 305 LEU H . 25985 1 1071 . 1 1 120 120 LEU HA H 1 5.083 0.005 . 1 . 731 . . 305 LEU HA . 25985 1 1072 . 1 1 120 120 LEU HB2 H 1 0.783 0.007 . 2 . 735 . . 305 LEU HB2 . 25985 1 1073 . 1 1 120 120 LEU HB3 H 1 1.452 0.008 . 2 . 734 . . 305 LEU HB3 . 25985 1 1074 . 1 1 120 120 LEU HG H 1 0.626 0.011 . 1 . 733 . . 305 LEU HG . 25985 1 1075 . 1 1 120 120 LEU HD11 H 1 -0.102 0.006 . 2 . 732 . . 305 LEU HD11 . 25985 1 1076 . 1 1 120 120 LEU HD12 H 1 -0.102 0.006 . 2 . 732 . . 305 LEU HD12 . 25985 1 1077 . 1 1 120 120 LEU HD13 H 1 -0.102 0.006 . 2 . 732 . . 305 LEU HD13 . 25985 1 1078 . 1 1 120 120 LEU HD21 H 1 -0.547 0.005 . 2 . 730 . . 305 LEU HD21 . 25985 1 1079 . 1 1 120 120 LEU HD22 H 1 -0.547 0.005 . 2 . 730 . . 305 LEU HD22 . 25985 1 1080 . 1 1 120 120 LEU HD23 H 1 -0.547 0.005 . 2 . 730 . . 305 LEU HD23 . 25985 1 1081 . 1 1 120 120 LEU CA C 13 53.263 0.058 . 1 . 312 . . 305 LEU CA . 25985 1 1082 . 1 1 120 120 LEU CB C 13 46.532 0.094 . 1 . 313 . . 305 LEU CB . 25985 1 1083 . 1 1 120 120 LEU CG C 13 27.442 0.055 . 1 . 737 . . 305 LEU CG . 25985 1 1084 . 1 1 120 120 LEU CD1 C 13 26.911 0.16 . 2 . 736 . . 305 LEU CD1 . 25985 1 1085 . 1 1 120 120 LEU CD2 C 13 21.412 0.075 . 2 . 729 . . 305 LEU CD2 . 25985 1 1086 . 1 1 120 120 LEU N N 15 124.727 0.038 . 1 . 138 . . 305 LEU N . 25985 1 1087 . 1 1 121 121 ARG H H 1 8.990 0.005 . 1 . 200 . . 306 ARG H . 25985 1 1088 . 1 1 121 121 ARG HA H 1 4.695 0.003 . 1 . 1017 . . 306 ARG HA . 25985 1 1089 . 1 1 121 121 ARG HB2 H 1 1.743 . . 1 . 1614 . . 306 ARG HB2 . 25985 1 1090 . 1 1 121 121 ARG CA C 13 54.173 0.113 . 1 . 524 . . 306 ARG CA . 25985 1 1091 . 1 1 121 121 ARG CB C 13 32.460 0.189 . 1 . 526 . . 306 ARG CB . 25985 1 1092 . 1 1 121 121 ARG N N 15 127.814 0.191 . 1 . 201 . . 306 ARG N . 25985 1 1093 . 1 1 122 122 ILE H H 1 8.927 0.006 . 1 . 210 . . 307 ILE H . 25985 1 1094 . 1 1 122 122 ILE HA H 1 4.438 0.008 . 1 . 1141 . . 307 ILE HA . 25985 1 1095 . 1 1 122 122 ILE HB H 1 1.685 0.006 . 1 . 1164 . . 307 ILE HB . 25985 1 1096 . 1 1 122 122 ILE HG12 H 1 1.158 0.006 . 1 . 1165 . . 307 ILE HG12 . 25985 1 1097 . 1 1 122 122 ILE HG21 H 1 0.873 0.006 . 1 . 1166 . . 307 ILE HG21 . 25985 1 1098 . 1 1 122 122 ILE HG22 H 1 0.873 0.006 . 1 . 1166 . . 307 ILE HG22 . 25985 1 1099 . 1 1 122 122 ILE HG23 H 1 0.873 0.006 . 1 . 1166 . . 307 ILE HG23 . 25985 1 1100 . 1 1 122 122 ILE HD11 H 1 0.620 0.007 . 1 . 964 . . 307 ILE HD11 . 25985 1 1101 . 1 1 122 122 ILE HD12 H 1 0.620 0.007 . 1 . 964 . . 307 ILE HD12 . 25985 1 1102 . 1 1 122 122 ILE HD13 H 1 0.620 0.007 . 1 . 964 . . 307 ILE HD13 . 25985 1 1103 . 1 1 122 122 ILE CA C 13 60.457 0.083 . 1 . 523 . . 307 ILE CA . 25985 1 1104 . 1 1 122 122 ILE CB C 13 41.474 0.018 . 1 . 525 . . 307 ILE CB . 25985 1 1105 . 1 1 122 122 ILE CG2 C 13 17.166 0.045 . 1 . 1167 . . 307 ILE CG2 . 25985 1 1106 . 1 1 122 122 ILE CD1 C 13 14.979 0.079 . 1 . 1163 . . 307 ILE CD1 . 25985 1 1107 . 1 1 122 122 ILE N N 15 123.423 0.045 . 1 . 211 . . 307 ILE N . 25985 1 1108 . 1 1 123 123 PHE H H 1 9.301 0.006 . 1 . 35 . . 308 PHE H . 25985 1 1109 . 1 1 123 123 PHE HA H 1 5.063 0.008 . 1 . 1168 . . 308 PHE HA . 25985 1 1110 . 1 1 123 123 PHE HB2 H 1 3.154 0.01 . 2 . 1613 . . 308 PHE HB2 . 25985 1 1111 . 1 1 123 123 PHE HB3 H 1 3.053 0.002 . 2 . 1552 . . 308 PHE HB3 . 25985 1 1112 . 1 1 123 123 PHE HD1 H 1 6.540 0.003 . 3 . 1223 . . 308 PHE HD1 . 25985 1 1113 . 1 1 123 123 PHE HD2 H 1 6.540 0.003 . 3 . 1223 . . 308 PHE HD2 . 25985 1 1114 . 1 1 123 123 PHE HE1 H 1 6.898 0.002 . 3 . 1553 . . 308 PHE HE1 . 25985 1 1115 . 1 1 123 123 PHE HE2 H 1 6.898 0.002 . 3 . 1553 . . 308 PHE HE2 . 25985 1 1116 . 1 1 123 123 PHE CA C 13 55.796 0.05 . 1 . 430 . . 308 PHE CA . 25985 1 1117 . 1 1 123 123 PHE N N 15 126.450 0.121 . 1 . 36 . . 308 PHE N . 25985 1 1118 . 1 1 124 124 ALA H H 1 9.081 0.007 . 1 . 433 . . 309 ALA H . 25985 1 1119 . 1 1 124 124 ALA HA H 1 5.807 0.005 . 1 . 702 . . 309 ALA HA . 25985 1 1120 . 1 1 124 124 ALA HB1 H 1 1.145 0.006 . 1 . 701 . . 309 ALA HB1 . 25985 1 1121 . 1 1 124 124 ALA HB2 H 1 1.145 0.006 . 1 . 701 . . 309 ALA HB2 . 25985 1 1122 . 1 1 124 124 ALA HB3 H 1 1.145 0.006 . 1 . 701 . . 309 ALA HB3 . 25985 1 1123 . 1 1 124 124 ALA CA C 13 48.908 0.091 . 1 . 431 . . 309 ALA CA . 25985 1 1124 . 1 1 124 124 ALA CB C 13 19.745 0.105 . 1 . 429 . . 309 ALA CB . 25985 1 1125 . 1 1 124 124 ALA N N 15 124.630 0.07 . 1 . 432 . . 309 ALA N . 25985 1 1126 . 1 1 125 125 ALA H H 1 9.023 0.006 . 1 . 427 . . 310 ALA H . 25985 1 1127 . 1 1 125 125 ALA HA H 1 4.395 0.005 . 1 . 1557 . . 310 ALA HA . 25985 1 1128 . 1 1 125 125 ALA HB1 H 1 1.911 0.004 . 1 . 869 . . 310 ALA HB1 . 25985 1 1129 . 1 1 125 125 ALA HB2 H 1 1.911 0.004 . 1 . 869 . . 310 ALA HB2 . 25985 1 1130 . 1 1 125 125 ALA HB3 H 1 1.911 0.004 . 1 . 869 . . 310 ALA HB3 . 25985 1 1131 . 1 1 125 125 ALA CA C 13 55.627 0.057 . 1 . 532 . . 310 ALA CA . 25985 1 1132 . 1 1 125 125 ALA CB C 13 18.754 0.242 . 1 . 1180 . . 310 ALA CB . 25985 1 1133 . 1 1 125 125 ALA N N 15 126.617 0.055 . 1 . 428 . . 310 ALA N . 25985 1 1134 . 1 1 126 126 ARG H H 1 6.799 0.007 . 1 . 289 . . 311 ARG H . 25985 1 1135 . 1 1 126 126 ARG CA C 13 54.664 0.083 . 1 . 530 . . 311 ARG CA . 25985 1 1136 . 1 1 126 126 ARG CB C 13 36.704 0.052 . 1 . 531 . . 311 ARG CB . 25985 1 1137 . 1 1 126 126 ARG N N 15 108.127 0.132 . 1 . 1179 . . 311 ARG N . 25985 1 1138 . 1 1 127 127 ILE HA H 1 4.302 0.001 . 1 . 915 . . 312 ILE HA . 25985 1 1139 . 1 1 127 127 ILE HB H 1 1.730 0.006 . 1 . 914 . . 312 ILE HB . 25985 1 1140 . 1 1 127 127 ILE HG12 H 1 1.791 0.0 . 2 . 923 . . 312 ILE HG12 . 25985 1 1141 . 1 1 127 127 ILE HG13 H 1 2.075 0.002 . 2 . 924 . . 312 ILE HG13 . 25985 1 1142 . 1 1 127 127 ILE HG21 H 1 0.728 0.003 . 1 . 912 . . 312 ILE HG21 . 25985 1 1143 . 1 1 127 127 ILE HG22 H 1 0.728 0.003 . 1 . 912 . . 312 ILE HG22 . 25985 1 1144 . 1 1 127 127 ILE HG23 H 1 0.728 0.003 . 1 . 912 . . 312 ILE HG23 . 25985 1 1145 . 1 1 127 127 ILE HD11 H 1 0.952 0.003 . 1 . 921 . . 312 ILE HD11 . 25985 1 1146 . 1 1 127 127 ILE HD12 H 1 0.952 0.003 . 1 . 921 . . 312 ILE HD12 . 25985 1 1147 . 1 1 127 127 ILE HD13 H 1 0.952 0.003 . 1 . 921 . . 312 ILE HD13 . 25985 1 1148 . 1 1 127 127 ILE CG2 C 13 18.863 0.128 . 1 . 913 . . 312 ILE CG2 . 25985 1 1149 . 1 1 127 127 ILE CD1 C 13 13.189 0.043 . 1 . 922 . . 312 ILE CD1 . 25985 1 1150 . 1 1 128 128 TYR H H 1 8.888 0.004 . 1 . 571 . . 313 TYR H . 25985 1 1151 . 1 1 128 128 TYR HA H 1 4.772 0.004 . 1 . 1561 . . 313 TYR HA . 25985 1 1152 . 1 1 128 128 TYR HB2 H 1 3.363 0.007 . 2 . 1634 . . 313 TYR HB2 . 25985 1 1153 . 1 1 128 128 TYR HB3 H 1 3.254 0.014 . 2 . 1633 . . 313 TYR HB3 . 25985 1 1154 . 1 1 128 128 TYR HD1 H 1 7.407 0.004 . 3 . 911 . . 313 TYR HD1 . 25985 1 1155 . 1 1 128 128 TYR HD2 H 1 7.407 0.004 . 3 . 911 . . 313 TYR HD2 . 25985 1 1156 . 1 1 128 128 TYR HE1 H 1 7.523 0.004 . 3 . 1632 . . 313 TYR HE1 . 25985 1 1157 . 1 1 128 128 TYR HE2 H 1 7.523 0.004 . 3 . 1632 . . 313 TYR HE2 . 25985 1 1158 . 1 1 128 128 TYR CA C 13 56.407 0.054 . 1 . 635 . . 313 TYR CA . 25985 1 1159 . 1 1 128 128 TYR N N 15 130.482 0.11 . 1 . 235 . . 313 TYR N . 25985 1 1160 . 1 1 129 129 ASP H H 1 8.031 0.006 . 1 . 189 . . 314 ASP H . 25985 1 1161 . 1 1 129 129 ASP HA H 1 3.676 0.0 . 1 . 1559 . . 314 ASP HA . 25985 1 1162 . 1 1 129 129 ASP HB3 H 1 2.289 0.003 . 1 . 1560 . . 314 ASP HB3 . 25985 1 1163 . 1 1 129 129 ASP CA C 13 54.465 . . 1 . 633 . . 314 ASP CA . 25985 1 1164 . 1 1 129 129 ASP CB C 13 38.461 . . 1 . 634 . . 314 ASP CB . 25985 1 1165 . 1 1 129 129 ASP N N 15 123.641 0.048 . 1 . 190 . . 314 ASP N . 25985 1 1166 . 1 1 130 130 TYR H H 1 6.419 0.01 . 1 . 236 . . 315 TYR H . 25985 1 1167 . 1 1 130 130 TYR HA H 1 3.890 . . 1 . 1139 . . 315 TYR HA . 25985 1 1168 . 1 1 130 130 TYR HB3 H 1 3.241 0.007 . 1 . 1140 . . 315 TYR HB3 . 25985 1 1169 . 1 1 130 130 TYR CA C 13 59.481 0.02 . 1 . 456 . . 315 TYR CA . 25985 1 1170 . 1 1 130 130 TYR CB C 13 39.232 . . 1 . 457 . . 315 TYR CB . 25985 1 1171 . 1 1 130 130 TYR N N 15 116.707 0.0 . 1 . 237 . . 315 TYR N . 25985 1 1172 . 1 1 131 131 ASP H H 1 6.933 0.004 . 1 . 75 . . 316 ASP H . 25985 1 1173 . 1 1 131 131 ASP HB3 H 1 2.851 0.0 . 1 . 1138 . . 316 ASP HB3 . 25985 1 1174 . 1 1 131 131 ASP CA C 13 50.433 . . 1 . 454 . . 316 ASP CA . 25985 1 1175 . 1 1 131 131 ASP CB C 13 42.669 . . 1 . 455 . . 316 ASP CB . 25985 1 1176 . 1 1 131 131 ASP N N 15 117.150 0.063 . 1 . 76 . . 316 ASP N . 25985 1 1177 . 1 1 132 132 PRO CA C 13 64.323 0.192 . 1 . 549 . . 317 PRO CA . 25985 1 1178 . 1 1 132 132 PRO CB C 13 31.307 . . 1 . 548 . . 317 PRO CB . 25985 1 1179 . 1 1 133 133 LEU H H 1 8.428 0.007 . 1 . 15 . . 318 LEU H . 25985 1 1180 . 1 1 133 133 LEU HA H 1 4.652 0.007 . 1 . 831 . . 318 LEU HA . 25985 1 1181 . 1 1 133 133 LEU HB2 H 1 2.087 0.0 . 2 . 992 . . 318 LEU HB2 . 25985 1 1182 . 1 1 133 133 LEU HB3 H 1 1.924 0.006 . 2 . 832 . . 318 LEU HB3 . 25985 1 1183 . 1 1 133 133 LEU HG H 1 1.311 0.006 . 1 . 833 . . 318 LEU HG . 25985 1 1184 . 1 1 133 133 LEU HD11 H 1 0.758 0.007 . 2 . 834 . . 318 LEU HD11 . 25985 1 1185 . 1 1 133 133 LEU HD12 H 1 0.758 0.007 . 2 . 834 . . 318 LEU HD12 . 25985 1 1186 . 1 1 133 133 LEU HD13 H 1 0.758 0.007 . 2 . 834 . . 318 LEU HD13 . 25985 1 1187 . 1 1 133 133 LEU HD21 H 1 0.513 0.008 . 2 . 830 . . 318 LEU HD21 . 25985 1 1188 . 1 1 133 133 LEU HD22 H 1 0.513 0.008 . 2 . 830 . . 318 LEU HD22 . 25985 1 1189 . 1 1 133 133 LEU HD23 H 1 0.513 0.008 . 2 . 830 . . 318 LEU HD23 . 25985 1 1190 . 1 1 133 133 LEU CA C 13 54.372 . . 1 . 547 . . 318 LEU CA . 25985 1 1191 . 1 1 133 133 LEU CB C 13 39.587 0.023 . 1 . 658 . . 318 LEU CB . 25985 1 1192 . 1 1 133 133 LEU CG C 13 27.950 0.051 . 1 . 1337 . . 318 LEU CG . 25985 1 1193 . 1 1 133 133 LEU CD1 C 13 25.892 0.061 . 2 . 835 . . 318 LEU CD1 . 25985 1 1194 . 1 1 133 133 LEU CD2 C 13 23.213 0.062 . 2 . 829 . . 318 LEU CD2 . 25985 1 1195 . 1 1 133 133 LEU N N 15 120.366 0.054 . 1 . 16 . . 318 LEU N . 25985 1 1196 . 1 1 134 134 TYR H H 1 7.965 0.006 . 1 . 139 . . 319 TYR H . 25985 1 1197 . 1 1 134 134 TYR HA H 1 4.057 0.002 . 1 . 1137 . . 319 TYR HA . 25985 1 1198 . 1 1 134 134 TYR HB3 H 1 2.813 0.004 . 1 . 1136 . . 319 TYR HB3 . 25985 1 1199 . 1 1 134 134 TYR HD1 H 1 7.069 0.001 . 3 . 1654 . . 319 TYR HD1 . 25985 1 1200 . 1 1 134 134 TYR HD2 H 1 7.069 0.001 . 3 . 1654 . . 319 TYR HD2 . 25985 1 1201 . 1 1 134 134 TYR HE1 H 1 6.745 0.001 . 3 . 1655 . . 319 TYR HE1 . 25985 1 1202 . 1 1 134 134 TYR HE2 H 1 6.745 0.001 . 3 . 1655 . . 319 TYR HE2 . 25985 1 1203 . 1 1 134 134 TYR CA C 13 61.103 0.092 . 1 . 657 . . 319 TYR CA . 25985 1 1204 . 1 1 134 134 TYR CB C 13 37.551 0.101 . 1 . 656 . . 319 TYR CB . 25985 1 1205 . 1 1 134 134 TYR N N 15 117.496 0.121 . 1 . 140 . . 319 TYR N . 25985 1 1206 . 1 1 135 135 LYS H H 1 7.465 0.006 . 1 . 23 . . 320 LYS H . 25985 1 1207 . 1 1 135 135 LYS HA H 1 4.288 0.004 . 1 . 1332 . . 320 LYS HA . 25985 1 1208 . 1 1 135 135 LYS HB2 H 1 1.515 . . 2 . 1451 . . 320 LYS HB2 . 25985 1 1209 . 1 1 135 135 LYS HB3 H 1 1.570 0.0 . 2 . 1450 . . 320 LYS HB3 . 25985 1 1210 . 1 1 135 135 LYS HG2 H 1 1.974 0.006 . 2 . 1380 . . 320 LYS HG2 . 25985 1 1211 . 1 1 135 135 LYS HG3 H 1 0.615 0.002 . 2 . 1334 . . 320 LYS HG3 . 25985 1 1212 . 1 1 135 135 LYS HD2 H 1 1.569 0.005 . 2 . 1331 . . 320 LYS HD2 . 25985 1 1213 . 1 1 135 135 LYS HD3 H 1 1.480 0.003 . 2 . 1327 . . 320 LYS HD3 . 25985 1 1214 . 1 1 135 135 LYS HE2 H 1 2.876 0.002 . 2 . 1330 . . 320 LYS HE2 . 25985 1 1215 . 1 1 135 135 LYS HE3 H 1 2.826 0.007 . 2 . 1328 . . 320 LYS HE3 . 25985 1 1216 . 1 1 135 135 LYS CA C 13 60.217 0.142 . 1 . 480 . . 320 LYS CA . 25985 1 1217 . 1 1 135 135 LYS CB C 13 30.556 0.093 . 1 . 481 . . 320 LYS CB . 25985 1 1218 . 1 1 135 135 LYS CG C 13 25.303 0.002 . 1 . 1333 . . 320 LYS CG . 25985 1 1219 . 1 1 135 135 LYS CD C 13 29.358 0.049 . 1 . 1329 . . 320 LYS CD . 25985 1 1220 . 1 1 135 135 LYS CE C 13 41.251 0.018 . 1 . 1449 . . 320 LYS CE . 25985 1 1221 . 1 1 135 135 LYS N N 15 122.215 0.035 . 1 . 24 . . 320 LYS N . 25985 1 1222 . 1 1 136 136 GLU H H 1 8.792 0.008 . 1 . 468 . . 321 GLU H . 25985 1 1223 . 1 1 136 136 GLU CA C 13 60.430 0.02 . 1 . 466 . . 321 GLU CA . 25985 1 1224 . 1 1 136 136 GLU CB C 13 26.724 0.017 . 1 . 467 . . 321 GLU CB . 25985 1 1225 . 1 1 136 136 GLU N N 15 121.948 0.09 . 1 . 469 . . 321 GLU N . 25985 1 1226 . 1 1 137 137 ALA H H 1 7.709 0.005 . 1 . 464 . . 322 ALA H . 25985 1 1227 . 1 1 137 137 ALA HA H 1 4.022 0.006 . 1 . 1568 . . 322 ALA HA . 25985 1 1228 . 1 1 137 137 ALA HB1 H 1 1.693 0.005 . 1 . 1030 . . 322 ALA HB1 . 25985 1 1229 . 1 1 137 137 ALA HB2 H 1 1.693 0.005 . 1 . 1030 . . 322 ALA HB2 . 25985 1 1230 . 1 1 137 137 ALA HB3 H 1 1.693 0.005 . 1 . 1030 . . 322 ALA HB3 . 25985 1 1231 . 1 1 137 137 ALA CA C 13 55.515 0.015 . 1 . 462 . . 322 ALA CA . 25985 1 1232 . 1 1 137 137 ALA CB C 13 19.487 0.257 . 1 . 461 . . 322 ALA CB . 25985 1 1233 . 1 1 137 137 ALA N N 15 119.888 0.128 . 1 . 465 . . 322 ALA N . 25985 1 1234 . 1 1 138 138 LEU H H 1 7.185 0.005 . 1 . 63 . . 323 LEU H . 25985 1 1235 . 1 1 138 138 LEU HA H 1 3.938 0.004 . 1 . 1573 . . 323 LEU HA . 25985 1 1236 . 1 1 138 138 LEU HB3 H 1 1.303 0.003 . 1 . 1572 . . 323 LEU HB3 . 25985 1 1237 . 1 1 138 138 LEU HG H 1 2.273 0.003 . 1 . 1571 . . 323 LEU HG . 25985 1 1238 . 1 1 138 138 LEU HD11 H 1 1.085 0.005 . 2 . 1569 . . 323 LEU HD11 . 25985 1 1239 . 1 1 138 138 LEU HD12 H 1 1.085 0.005 . 2 . 1569 . . 323 LEU HD12 . 25985 1 1240 . 1 1 138 138 LEU HD13 H 1 1.085 0.005 . 2 . 1569 . . 323 LEU HD13 . 25985 1 1241 . 1 1 138 138 LEU HD21 H 1 0.952 0.008 . 2 . 1031 . . 323 LEU HD21 . 25985 1 1242 . 1 1 138 138 LEU HD22 H 1 0.952 0.008 . 2 . 1031 . . 323 LEU HD22 . 25985 1 1243 . 1 1 138 138 LEU HD23 H 1 0.952 0.008 . 2 . 1031 . . 323 LEU HD23 . 25985 1 1244 . 1 1 138 138 LEU CA C 13 58.314 0.069 . 1 . 1577 . . 323 LEU CA . 25985 1 1245 . 1 1 138 138 LEU CB C 13 41.066 0.084 . 1 . 458 . . 323 LEU CB . 25985 1 1246 . 1 1 138 138 LEU CD1 C 13 26.458 0.052 . 2 . 1574 . . 323 LEU CD1 . 25985 1 1247 . 1 1 138 138 LEU CD2 C 13 22.868 0.065 . 2 . 1570 . . 323 LEU CD2 . 25985 1 1248 . 1 1 138 138 LEU N N 15 116.305 0.064 . 1 . 64 . . 323 LEU N . 25985 1 1249 . 1 1 139 139 GLN H H 1 8.380 0.008 . 1 . 1576 . . 324 GLN H . 25985 1 1250 . 1 1 139 139 GLN HA H 1 3.654 0.011 . 1 . 1991 . . 324 GLN HA . 25985 1 1251 . 1 1 139 139 GLN HB3 H 1 2.041 0.001 . 1 . 1580 . . 324 GLN HB3 . 25985 1 1252 . 1 1 139 139 GLN HG2 H 1 2.240 0.003 . 2 . 1042 . . 324 GLN HG2 . 25985 1 1253 . 1 1 139 139 GLN HG3 H 1 2.386 0.004 . 2 . 1041 . . 324 GLN HG3 . 25985 1 1254 . 1 1 139 139 GLN HE21 H 1 6.720 0.003 . 1 . 1040 . . 324 GLN HE21 . 25985 1 1255 . 1 1 139 139 GLN HE22 H 1 7.364 0.001 . 1 . 1039 . . 324 GLN HE22 . 25985 1 1256 . 1 1 139 139 GLN CA C 13 59.005 0.149 . 1 . 1579 . . 324 GLN CA . 25985 1 1257 . 1 1 139 139 GLN CB C 13 27.355 0.08 . 1 . 1578 . . 324 GLN CB . 25985 1 1258 . 1 1 139 139 GLN N N 15 117.427 0.061 . 1 . 1575 . . 324 GLN N . 25985 1 1259 . 1 1 139 139 GLN NE2 N 15 109.162 0.031 . 1 . 1038 . . 324 GLN NE2 . 25985 1 1260 . 1 1 140 140 MET H H 1 8.199 0.008 . 1 . 1585 . . 325 MET H . 25985 1 1261 . 1 1 140 140 MET HA H 1 4.083 0.001 . 1 . 1646 . . 325 MET HA . 25985 1 1262 . 1 1 140 140 MET HB2 H 1 2.025 0.005 . 2 . 1993 . . 325 MET HB2 . 25985 1 1263 . 1 1 140 140 MET HB3 H 1 2.108 0.001 . 2 . 1994 . . 325 MET HB3 . 25985 1 1264 . 1 1 140 140 MET HG2 H 1 2.458 0.002 . 2 . 1648 . . 325 MET HG2 . 25985 1 1265 . 1 1 140 140 MET HG3 H 1 2.417 0.002 . 2 . 1647 . . 325 MET HG3 . 25985 1 1266 . 1 1 140 140 MET HE1 H 1 2.125 0.004 . 1 . 1644 . . 325 MET HE1 . 25985 1 1267 . 1 1 140 140 MET HE2 H 1 2.125 0.004 . 1 . 1644 . . 325 MET HE2 . 25985 1 1268 . 1 1 140 140 MET HE3 H 1 2.125 0.004 . 1 . 1644 . . 325 MET HE3 . 25985 1 1269 . 1 1 140 140 MET CA C 13 59.596 . . 1 . 1587 . . 325 MET CA . 25985 1 1270 . 1 1 140 140 MET CB C 13 32.988 . . 1 . 1992 . . 325 MET CB . 25985 1 1271 . 1 1 140 140 MET CE C 13 17.019 0.076 . 1 . 1645 . . 325 MET CE . 25985 1 1272 . 1 1 140 140 MET N N 15 118.633 0.022 . 1 . 1586 . . 325 MET N . 25985 1 1273 . 1 1 141 141 LEU H H 1 7.929 0.005 . 1 . 1588 . . 326 LEU H . 25985 1 1274 . 1 1 141 141 LEU HA H 1 4.376 0.001 . 1 . 1601 . . 326 LEU HA . 25985 1 1275 . 1 1 141 141 LEU HB2 H 1 1.920 0.001 . 2 . 1598 . . 326 LEU HB2 . 25985 1 1276 . 1 1 141 141 LEU HB3 H 1 2.061 0.002 . 2 . 1029 . . 326 LEU HB3 . 25985 1 1277 . 1 1 141 141 LEU HG H 1 2.099 0.004 . 1 . 1597 . . 326 LEU HG . 25985 1 1278 . 1 1 141 141 LEU HD11 H 1 0.724 0.006 . 2 . 1028 . . 326 LEU HD11 . 25985 1 1279 . 1 1 141 141 LEU HD12 H 1 0.724 0.006 . 2 . 1028 . . 326 LEU HD12 . 25985 1 1280 . 1 1 141 141 LEU HD13 H 1 0.724 0.006 . 2 . 1028 . . 326 LEU HD13 . 25985 1 1281 . 1 1 141 141 LEU HD21 H 1 0.862 0.008 . 2 . 1599 . . 326 LEU HD21 . 25985 1 1282 . 1 1 141 141 LEU HD22 H 1 0.862 0.008 . 2 . 1599 . . 326 LEU HD22 . 25985 1 1283 . 1 1 141 141 LEU HD23 H 1 0.862 0.008 . 2 . 1599 . . 326 LEU HD23 . 25985 1 1284 . 1 1 141 141 LEU CA C 13 58.571 . . 1 . 1591 . . 326 LEU CA . 25985 1 1285 . 1 1 141 141 LEU CB C 13 40.492 0.204 . 1 . 1590 . . 326 LEU CB . 25985 1 1286 . 1 1 141 141 LEU CD1 C 13 22.824 0.063 . 2 . 1596 . . 326 LEU CD1 . 25985 1 1287 . 1 1 141 141 LEU CD2 C 13 25.091 . . 2 . 1600 . . 326 LEU CD2 . 25985 1 1288 . 1 1 141 141 LEU N N 15 118.447 0.044 . 1 . 1589 . . 326 LEU N . 25985 1 1289 . 1 1 142 142 ARG H H 1 7.966 0.006 . 1 . 1592 . . 327 ARG H . 25985 1 1290 . 1 1 142 142 ARG HA H 1 4.371 0.005 . 1 . 1602 . . 327 ARG HA . 25985 1 1291 . 1 1 142 142 ARG HB2 H 1 2.145 0.013 . 2 . 1026 . . 327 ARG HB2 . 25985 1 1292 . 1 1 142 142 ARG HB3 H 1 1.862 0.01 . 2 . 1603 . . 327 ARG HB3 . 25985 1 1293 . 1 1 142 142 ARG HG3 H 1 1.541 0.011 . 1 . 1027 . . 327 ARG HG3 . 25985 1 1294 . 1 1 142 142 ARG HD2 H 1 3.253 0.003 . 1 . 1622 . . 327 ARG HD2 . 25985 1 1295 . 1 1 142 142 ARG CA C 13 58.956 0.163 . 1 . 1595 . . 327 ARG CA . 25985 1 1296 . 1 1 142 142 ARG CB C 13 27.452 0.162 . 1 . 1594 . . 327 ARG CB . 25985 1 1297 . 1 1 142 142 ARG N N 15 121.087 0.081 . 1 . 1593 . . 327 ARG N . 25985 1 1298 . 1 1 143 143 ASP H H 1 8.912 0.007 . 1 . 103 . . 328 ASP H . 25985 1 1299 . 1 1 143 143 ASP HA H 1 4.388 0.003 . 1 . 1023 . . 328 ASP HA . 25985 1 1300 . 1 1 143 143 ASP HB2 H 1 2.723 0.011 . 2 . 1025 . . 328 ASP HB2 . 25985 1 1301 . 1 1 143 143 ASP HB3 H 1 2.859 0.008 . 2 . 1024 . . 328 ASP HB3 . 25985 1 1302 . 1 1 143 143 ASP CA C 13 57.001 0.168 . 1 . 385 . . 328 ASP CA . 25985 1 1303 . 1 1 143 143 ASP CB C 13 39.241 0.117 . 1 . 386 . . 328 ASP CB . 25985 1 1304 . 1 1 143 143 ASP N N 15 122.652 0.146 . 1 . 104 . . 328 ASP N . 25985 1 1305 . 1 1 144 144 ALA H H 1 7.702 0.006 . 1 . 212 . . 329 ALA H . 25985 1 1306 . 1 1 144 144 ALA HA H 1 4.413 0.007 . 1 . 1022 . . 329 ALA HA . 25985 1 1307 . 1 1 144 144 ALA HB1 H 1 1.547 0.006 . 1 . 1021 . . 329 ALA HB1 . 25985 1 1308 . 1 1 144 144 ALA HB2 H 1 1.547 0.006 . 1 . 1021 . . 329 ALA HB2 . 25985 1 1309 . 1 1 144 144 ALA HB3 H 1 1.547 0.006 . 1 . 1021 . . 329 ALA HB3 . 25985 1 1310 . 1 1 144 144 ALA CA C 13 52.083 0.349 . 1 . 315 . . 329 ALA CA . 25985 1 1311 . 1 1 144 144 ALA CB C 13 19.183 0.208 . 1 . 316 . . 329 ALA CB . 25985 1 1312 . 1 1 144 144 ALA N N 15 120.080 0.093 . 1 . 213 . . 329 ALA N . 25985 1 1313 . 1 1 145 145 GLY H H 1 7.957 0.004 . 1 . 21 . . 330 GLY H . 25985 1 1314 . 1 1 145 145 GLY HA2 H 1 3.696 0.01 . 2 . 1020 . . 330 GLY HA2 . 25985 1 1315 . 1 1 145 145 GLY HA3 H 1 4.350 0.006 . 2 . 1019 . . 330 GLY HA3 . 25985 1 1316 . 1 1 145 145 GLY CA C 13 44.481 0.185 . 1 . 384 . . 330 GLY CA . 25985 1 1317 . 1 1 145 145 GLY N N 15 105.035 0.08 . 1 . 22 . . 330 GLY N . 25985 1 1318 . 1 1 146 146 ALA H H 1 8.029 0.005 . 1 . 198 . . 331 ALA H . 25985 1 1319 . 1 1 146 146 ALA HA H 1 4.600 0.013 . 1 . 965 . . 331 ALA HA . 25985 1 1320 . 1 1 146 146 ALA HB1 H 1 0.826 0.004 . 1 . 963 . . 331 ALA HB1 . 25985 1 1321 . 1 1 146 146 ALA HB2 H 1 0.826 0.004 . 1 . 963 . . 331 ALA HB2 . 25985 1 1322 . 1 1 146 146 ALA HB3 H 1 0.826 0.004 . 1 . 963 . . 331 ALA HB3 . 25985 1 1323 . 1 1 146 146 ALA CA C 13 51.560 0.101 . 1 . 383 . . 331 ALA CA . 25985 1 1324 . 1 1 146 146 ALA CB C 13 17.812 0.128 . 1 . 382 . . 331 ALA CB . 25985 1 1325 . 1 1 146 146 ALA N N 15 124.383 0.156 . 1 . 199 . . 331 ALA N . 25985 1 1326 . 1 1 147 147 GLN H H 1 7.985 0.009 . 1 . 1018 . . 332 GLN H . 25985 1 1327 . 1 1 147 147 GLN HA H 1 4.383 0.006 . 1 . 675 . . 332 GLN HA . 25985 1 1328 . 1 1 147 147 GLN HB2 H 1 1.680 0.003 . 2 . 1016 . . 332 GLN HB2 . 25985 1 1329 . 1 1 147 147 GLN HB3 H 1 1.815 0.006 . 2 . 986 . . 332 GLN HB3 . 25985 1 1330 . 1 1 147 147 GLN HG2 H 1 2.035 0.005 . 2 . 1014 . . 332 GLN HG2 . 25985 1 1331 . 1 1 147 147 GLN HG3 H 1 2.245 0.007 . 2 . 1013 . . 332 GLN HG3 . 25985 1 1332 . 1 1 147 147 GLN HE21 H 1 7.354 0.005 . 1 . 1397 . . 332 GLN HE21 . 25985 1 1333 . 1 1 147 147 GLN HE22 H 1 6.697 0.006 . 1 . 1396 . . 332 GLN HE22 . 25985 1 1334 . 1 1 147 147 GLN CA C 13 55.029 0.179 . 1 . 380 . . 332 GLN CA . 25985 1 1335 . 1 1 147 147 GLN CB C 13 28.970 0.116 . 1 . 381 . . 332 GLN CB . 25985 1 1336 . 1 1 147 147 GLN CG C 13 33.451 0.111 . 1 . 1394 . . 332 GLN CG . 25985 1 1337 . 1 1 147 147 GLN N N 15 122.313 0.135 . 1 . 164 . . 332 GLN N . 25985 1 1338 . 1 1 147 147 GLN NE2 N 15 111.501 0.098 . 1 . 1395 . . 332 GLN NE2 . 25985 1 1339 . 1 1 148 148 VAL H H 1 8.612 0.005 . 1 . 183 . . 333 VAL H . 25985 1 1340 . 1 1 148 148 VAL HA H 1 4.643 0.01 . 1 . 1015 . . 333 VAL HA . 25985 1 1341 . 1 1 148 148 VAL HB H 1 1.903 0.006 . 1 . 1012 . . 333 VAL HB . 25985 1 1342 . 1 1 148 148 VAL HG11 H 1 0.822 0.005 . 2 . 1011 . . 333 VAL HG11 . 25985 1 1343 . 1 1 148 148 VAL HG12 H 1 0.822 0.005 . 2 . 1011 . . 333 VAL HG12 . 25985 1 1344 . 1 1 148 148 VAL HG13 H 1 0.822 0.005 . 2 . 1011 . . 333 VAL HG13 . 25985 1 1345 . 1 1 148 148 VAL HG21 H 1 0.730 0.004 . 2 . 1010 . . 333 VAL HG21 . 25985 1 1346 . 1 1 148 148 VAL HG22 H 1 0.730 0.004 . 2 . 1010 . . 333 VAL HG22 . 25985 1 1347 . 1 1 148 148 VAL HG23 H 1 0.730 0.004 . 2 . 1010 . . 333 VAL HG23 . 25985 1 1348 . 1 1 148 148 VAL CA C 13 61.381 0.119 . 1 . 379 . . 333 VAL CA . 25985 1 1349 . 1 1 148 148 VAL CB C 13 33.073 0.125 . 1 . 420 . . 333 VAL CB . 25985 1 1350 . 1 1 148 148 VAL CG1 C 13 21.391 0.024 . 2 . 1203 . . 333 VAL CG1 . 25985 1 1351 . 1 1 148 148 VAL CG2 C 13 20.817 0.101 . 2 . 1204 . . 333 VAL CG2 . 25985 1 1352 . 1 1 148 148 VAL N N 15 127.638 0.065 . 1 . 184 . . 333 VAL N . 25985 1 1353 . 1 1 149 149 SER H H 1 8.695 0.004 . 1 . 418 . . 334 SER H . 25985 1 1354 . 1 1 149 149 SER HA H 1 4.663 0.01 . 1 . 1009 . . 334 SER HA . 25985 1 1355 . 1 1 149 149 SER HB2 H 1 3.781 0.002 . 2 . 1008 . . 334 SER HB2 . 25985 1 1356 . 1 1 149 149 SER HB3 H 1 3.302 0.008 . 2 . 1007 . . 334 SER HB3 . 25985 1 1357 . 1 1 149 149 SER CA C 13 57.230 0.067 . 1 . 424 . . 334 SER CA . 25985 1 1358 . 1 1 149 149 SER CB C 13 66.696 0.057 . 1 . 423 . . 334 SER CB . 25985 1 1359 . 1 1 149 149 SER N N 15 120.787 0.047 . 1 . 419 . . 334 SER N . 25985 1 1360 . 1 1 150 150 ILE H H 1 8.579 0.007 . 1 . 1162 . . 335 ILE H . 25985 1 1361 . 1 1 150 150 ILE HA H 1 5.111 0.008 . 1 . 1158 . . 335 ILE HA . 25985 1 1362 . 1 1 150 150 ILE HB H 1 2.160 0.006 . 1 . 1157 . . 335 ILE HB . 25985 1 1363 . 1 1 150 150 ILE HG12 H 1 1.173 0.004 . 2 . 1156 . . 335 ILE HG12 . 25985 1 1364 . 1 1 150 150 ILE HG13 H 1 1.860 0.006 . 2 . 1159 . . 335 ILE HG13 . 25985 1 1365 . 1 1 150 150 ILE HG21 H 1 1.356 0.006 . 1 . 1160 . . 335 ILE HG21 . 25985 1 1366 . 1 1 150 150 ILE HG22 H 1 1.356 0.006 . 1 . 1160 . . 335 ILE HG22 . 25985 1 1367 . 1 1 150 150 ILE HG23 H 1 1.356 0.006 . 1 . 1160 . . 335 ILE HG23 . 25985 1 1368 . 1 1 150 150 ILE HD11 H 1 0.733 0.004 . 1 . 1006 . . 335 ILE HD11 . 25985 1 1369 . 1 1 150 150 ILE HD12 H 1 0.733 0.004 . 1 . 1006 . . 335 ILE HD12 . 25985 1 1370 . 1 1 150 150 ILE HD13 H 1 0.733 0.004 . 1 . 1006 . . 335 ILE HD13 . 25985 1 1371 . 1 1 150 150 ILE CA C 13 56.721 0.102 . 1 . 443 . . 335 ILE CA . 25985 1 1372 . 1 1 150 150 ILE CB C 13 37.211 0.052 . 1 . 441 . . 335 ILE CB . 25985 1 1373 . 1 1 150 150 ILE CG2 C 13 18.312 0.089 . 1 . 1161 . . 335 ILE CG2 . 25985 1 1374 . 1 1 150 150 ILE CD1 C 13 8.404 0.082 . 1 . 1155 . . 335 ILE CD1 . 25985 1 1375 . 1 1 150 150 ILE N N 15 122.695 0.111 . 1 . 153 . . 335 ILE N . 25985 1 1376 . 1 1 151 151 MET H H 1 8.280 0.011 . 1 . 202 . . 336 MET H . 25985 1 1377 . 1 1 151 151 MET HA H 1 3.859 0.005 . 1 . 1517 . . 336 MET HA . 25985 1 1378 . 1 1 151 151 MET HE1 H 1 1.554 0.002 . 1 . 1649 . . 336 MET HE1 . 25985 1 1379 . 1 1 151 151 MET HE2 H 1 1.554 0.002 . 1 . 1649 . . 336 MET HE2 . 25985 1 1380 . 1 1 151 151 MET HE3 H 1 1.554 0.002 . 1 . 1649 . . 336 MET HE3 . 25985 1 1381 . 1 1 151 151 MET CA C 13 59.105 0.14 . 1 . 396 . . 336 MET CA . 25985 1 1382 . 1 1 151 151 MET CB C 13 33.866 0.193 . 1 . 442 . . 336 MET CB . 25985 1 1383 . 1 1 151 151 MET N N 15 123.789 0.146 . 1 . 203 . . 336 MET N . 25985 1 1384 . 1 1 152 152 THR H H 1 9.508 0.009 . 1 . 151 . . 337 THR H . 25985 1 1385 . 1 1 152 152 THR HA H 1 4.838 0.001 . 1 . 1637 . . 337 THR HA . 25985 1 1386 . 1 1 152 152 THR HB H 1 4.770 0.006 . 1 . 1636 . . 337 THR HB . 25985 1 1387 . 1 1 152 152 THR HG21 H 1 1.380 0.003 . 1 . 711 . . 337 THR HG21 . 25985 1 1388 . 1 1 152 152 THR HG22 H 1 1.380 0.003 . 1 . 711 . . 337 THR HG22 . 25985 1 1389 . 1 1 152 152 THR HG23 H 1 1.380 0.003 . 1 . 711 . . 337 THR HG23 . 25985 1 1390 . 1 1 152 152 THR CA C 13 59.805 0.147 . 1 . 440 . . 337 THR CA . 25985 1 1391 . 1 1 152 152 THR CB C 13 72.025 0.171 . 1 . 438 . . 337 THR CB . 25985 1 1392 . 1 1 152 152 THR CG2 C 13 22.141 0.026 . 1 . 710 . . 337 THR CG2 . 25985 1 1393 . 1 1 152 152 THR N N 15 117.767 0.111 . 1 . 152 . . 337 THR N . 25985 1 1394 . 1 1 153 153 TYR H H 1 9.675 0.005 . 1 . 145 . . 338 TYR H . 25985 1 1395 . 1 1 153 153 TYR HA H 1 4.118 0.0 . 1 . 882 . . 338 TYR HA . 25985 1 1396 . 1 1 153 153 TYR HB3 H 1 3.121 0.004 . 1 . 1118 . . 338 TYR HB3 . 25985 1 1397 . 1 1 153 153 TYR HD1 H 1 7.063 0.004 . 3 . 979 . . 338 TYR HD1 . 25985 1 1398 . 1 1 153 153 TYR HD2 H 1 7.063 0.004 . 3 . 979 . . 338 TYR HD2 . 25985 1 1399 . 1 1 153 153 TYR HE1 H 1 6.720 0.003 . 3 . 1556 . . 338 TYR HE1 . 25985 1 1400 . 1 1 153 153 TYR HE2 H 1 6.720 0.003 . 3 . 1556 . . 338 TYR HE2 . 25985 1 1401 . 1 1 153 153 TYR CA C 13 64.680 0.188 . 1 . 445 . . 338 TYR CA . 25985 1 1402 . 1 1 153 153 TYR CB C 13 39.312 0.062 . 1 . 439 . . 338 TYR CB . 25985 1 1403 . 1 1 153 153 TYR N N 15 121.582 0.067 . 1 . 146 . . 338 TYR N . 25985 1 1404 . 1 1 154 154 ASP H H 1 8.229 0.005 . 1 . 281 . . 339 ASP H . 25985 1 1405 . 1 1 154 154 ASP HB2 H 1 2.312 0.002 . 2 . 1117 . . 339 ASP HB2 . 25985 1 1406 . 1 1 154 154 ASP HB3 H 1 2.592 0.005 . 2 . 1116 . . 339 ASP HB3 . 25985 1 1407 . 1 1 154 154 ASP CA C 13 58.065 0.049 . 1 . 491 . . 339 ASP CA . 25985 1 1408 . 1 1 154 154 ASP CB C 13 40.168 0.156 . 1 . 463 . . 339 ASP CB . 25985 1 1409 . 1 1 154 154 ASP N N 15 114.837 0.134 . 1 . 282 . . 339 ASP N . 25985 1 1410 . 1 1 155 155 GLU H H 1 7.399 0.005 . 1 . 165 . . 340 GLU H . 25985 1 1411 . 1 1 155 155 GLU HA H 1 3.920 0.0 . 1 . 1135 . . 340 GLU HA . 25985 1 1412 . 1 1 155 155 GLU HB2 H 1 1.554 0.003 . 1 . 1132 . . 340 GLU HB2 . 25985 1 1413 . 1 1 155 155 GLU HG2 H 1 2.270 0.0 . 2 . 1134 . . 340 GLU HG2 . 25985 1 1414 . 1 1 155 155 GLU HG3 H 1 2.047 0.001 . 2 . 1133 . . 340 GLU HG3 . 25985 1 1415 . 1 1 155 155 GLU CA C 13 61.441 0.176 . 1 . 493 . . 340 GLU CA . 25985 1 1416 . 1 1 155 155 GLU CB C 13 28.922 0.101 . 1 . 494 . . 340 GLU CB . 25985 1 1417 . 1 1 155 155 GLU N N 15 116.923 0.074 . 1 . 166 . . 340 GLU N . 25985 1 1418 . 1 1 156 156 PHE H H 1 7.957 0.006 . 1 . 123 . . 341 PHE H . 25985 1 1419 . 1 1 156 156 PHE HA H 1 3.835 0.003 . 1 . 1131 . . 341 PHE HA . 25985 1 1420 . 1 1 156 156 PHE HB2 H 1 2.758 0.002 . 2 . 1130 . . 341 PHE HB2 . 25985 1 1421 . 1 1 156 156 PHE HB3 H 1 2.586 0.005 . 2 . 1127 . . 341 PHE HB3 . 25985 1 1422 . 1 1 156 156 PHE HD1 H 1 7.054 0.003 . 3 . 1625 . . 341 PHE HD1 . 25985 1 1423 . 1 1 156 156 PHE HD2 H 1 7.054 0.003 . 3 . 1625 . . 341 PHE HD2 . 25985 1 1424 . 1 1 156 156 PHE HZ H 1 6.974 0.003 . 1 . 1990 . . 341 PHE HZ . 25985 1 1425 . 1 1 156 156 PHE CA C 13 63.071 0.036 . 1 . 497 . . 341 PHE CA . 25985 1 1426 . 1 1 156 156 PHE CB C 13 39.973 . . 1 . 492 . . 341 PHE CB . 25985 1 1427 . 1 1 156 156 PHE N N 15 119.451 0.046 . 1 . 124 . . 341 PHE N . 25985 1 1428 . 1 1 157 157 GLU H H 1 8.208 0.004 . 1 . 65 . . 342 GLU H . 25985 1 1429 . 1 1 157 157 GLU HA H 1 4.104 0.007 . 1 . 1129 . . 342 GLU HA . 25985 1 1430 . 1 1 157 157 GLU HB2 H 1 2.025 0.002 . 2 . 1126 . . 342 GLU HB2 . 25985 1 1431 . 1 1 157 157 GLU HB3 H 1 2.124 0.005 . 2 . 1624 . . 342 GLU HB3 . 25985 1 1432 . 1 1 157 157 GLU HG3 H 1 2.433 0.009 . 1 . 1128 . . 342 GLU HG3 . 25985 1 1433 . 1 1 157 157 GLU CA C 13 59.537 0.047 . 1 . 496 . . 342 GLU CA . 25985 1 1434 . 1 1 157 157 GLU CB C 13 28.379 0.133 . 1 . 495 . . 342 GLU CB . 25985 1 1435 . 1 1 157 157 GLU N N 15 118.637 0.106 . 1 . 66 . . 342 GLU N . 25985 1 1436 . 1 1 158 158 TYR H H 1 7.383 0.006 . 1 . 1124 . . 343 TYR H . 25985 1 1437 . 1 1 158 158 TYR HA H 1 4.009 0.006 . 1 . 1652 . . 343 TYR HA . 25985 1 1438 . 1 1 158 158 TYR HB3 H 1 3.031 0.004 . 1 . 1653 . . 343 TYR HB3 . 25985 1 1439 . 1 1 158 158 TYR HD1 H 1 6.561 0.005 . 3 . 1651 . . 343 TYR HD1 . 25985 1 1440 . 1 1 158 158 TYR HD2 H 1 6.561 0.005 . 3 . 1651 . . 343 TYR HD2 . 25985 1 1441 . 1 1 158 158 TYR HE1 H 1 6.661 0.004 . 3 . 1650 . . 343 TYR HE1 . 25985 1 1442 . 1 1 158 158 TYR HE2 H 1 6.661 0.004 . 3 . 1650 . . 343 TYR HE2 . 25985 1 1443 . 1 1 158 158 TYR CA C 13 58.576 . . 1 . 562 . . 343 TYR CA . 25985 1 1444 . 1 1 158 158 TYR CB C 13 40.899 . . 1 . 561 . . 343 TYR CB . 25985 1 1445 . 1 1 158 158 TYR N N 15 115.934 0.002 . 1 . 1125 . . 343 TYR N . 25985 1 1446 . 1 1 159 159 CYS H H 1 7.881 0.007 . 1 . 67 . . 344 CYS H . 25985 1 1447 . 1 1 159 159 CYS HA H 1 3.893 0.0 . 1 . 1120 . . 344 CYS HA . 25985 1 1448 . 1 1 159 159 CYS HB2 H 1 2.578 0.001 . 2 . 1122 . . 344 CYS HB2 . 25985 1 1449 . 1 1 159 159 CYS HB3 H 1 2.660 0.009 . 2 . 1121 . . 344 CYS HB3 . 25985 1 1450 . 1 1 159 159 CYS CA C 13 64.373 0.041 . 1 . 559 . . 344 CYS CA . 25985 1 1451 . 1 1 159 159 CYS CB C 13 26.912 0.041 . 1 . 560 . . 344 CYS CB . 25985 1 1452 . 1 1 159 159 CYS N N 15 118.067 0.049 . 1 . 68 . . 344 CYS N . 25985 1 1453 . 1 1 160 160 TRP H H 1 7.921 0.006 . 1 . 557 . . 345 TRP H . 25985 1 1454 . 1 1 160 160 TRP HA H 1 3.789 0.01 . 1 . 1563 . . 345 TRP HA . 25985 1 1455 . 1 1 160 160 TRP HB2 H 1 3.241 0.003 . 2 . 1562 . . 345 TRP HB2 . 25985 1 1456 . 1 1 160 160 TRP HB3 H 1 3.043 0.007 . 2 . 761 . . 345 TRP HB3 . 25985 1 1457 . 1 1 160 160 TRP HD1 H 1 7.523 0.002 . 1 . 754 . . 345 TRP HD1 . 25985 1 1458 . 1 1 160 160 TRP HE1 H 1 10.105 0.004 . 1 . 753 . . 345 TRP HE1 . 25985 1 1459 . 1 1 160 160 TRP HE3 H 1 7.558 0.006 . 1 . 842 . . 345 TRP HE3 . 25985 1 1460 . 1 1 160 160 TRP HZ2 H 1 7.171 0.003 . 1 . 755 . . 345 TRP HZ2 . 25985 1 1461 . 1 1 160 160 TRP HZ3 H 1 7.070 0.003 . 1 . 841 . . 345 TRP HZ3 . 25985 1 1462 . 1 1 160 160 TRP HH2 H 1 7.287 0.003 . 1 . 782 . . 345 TRP HH2 . 25985 1 1463 . 1 1 160 160 TRP CA C 13 59.609 0.095 . 1 . 556 . . 345 TRP CA . 25985 1 1464 . 1 1 160 160 TRP CB C 13 28.560 0.173 . 1 . 500 . . 345 TRP CB . 25985 1 1465 . 1 1 160 160 TRP N N 15 122.705 0.032 . 1 . 558 . . 345 TRP N . 25985 1 1466 . 1 1 160 160 TRP NE1 N 15 131.413 0.024 . 1 . 756 . . 345 TRP NE1 . 25985 1 1467 . 1 1 161 161 ASP H H 1 8.024 0.007 . 1 . 267 . . 346 ASP H . 25985 1 1468 . 1 1 161 161 ASP HA H 1 3.941 0.006 . 1 . 762 . . 346 ASP HA . 25985 1 1469 . 1 1 161 161 ASP HB3 H 1 2.559 0.004 . 1 . 760 . . 346 ASP HB3 . 25985 1 1470 . 1 1 161 161 ASP CA C 13 56.033 0.002 . 1 . 614 . . 346 ASP CA . 25985 1 1471 . 1 1 161 161 ASP CB C 13 39.806 0.1 . 1 . 615 . . 346 ASP CB . 25985 1 1472 . 1 1 161 161 ASP N N 15 113.558 0.107 . 1 . 268 . . 346 ASP N . 25985 1 1473 . 1 1 162 162 THR H H 1 7.409 0.007 . 1 . 610 . . 347 THR H . 25985 1 1474 . 1 1 162 162 THR HA H 1 3.557 0.012 . 1 . 803 . . 347 THR HA . 25985 1 1475 . 1 1 162 162 THR HB H 1 2.631 0.005 . 1 . 934 . . 347 THR HB . 25985 1 1476 . 1 1 162 162 THR HG21 H 1 -0.031 0.004 . 1 . 799 . . 347 THR HG21 . 25985 1 1477 . 1 1 162 162 THR HG22 H 1 -0.031 0.004 . 1 . 799 . . 347 THR HG22 . 25985 1 1478 . 1 1 162 162 THR HG23 H 1 -0.031 0.004 . 1 . 799 . . 347 THR HG23 . 25985 1 1479 . 1 1 162 162 THR CA C 13 65.263 0.105 . 1 . 612 . . 347 THR CA . 25985 1 1480 . 1 1 162 162 THR CB C 13 69.619 . . 1 . 613 . . 347 THR CB . 25985 1 1481 . 1 1 162 162 THR CG2 C 13 20.844 0.189 . 1 . 800 . . 347 THR CG2 . 25985 1 1482 . 1 1 162 162 THR N N 15 114.940 0.127 . 1 . 611 . . 347 THR N . 25985 1 1483 . 1 1 163 163 PHE H H 1 8.225 0.007 . 1 . 801 . . 348 PHE H . 25985 1 1484 . 1 1 163 163 PHE HA H 1 4.522 0.003 . 1 . 1104 . . 348 PHE HA . 25985 1 1485 . 1 1 163 163 PHE HB2 H 1 3.059 0.004 . 2 . 1358 . . 348 PHE HB2 . 25985 1 1486 . 1 1 163 163 PHE HB3 H 1 3.121 0.014 . 2 . 1113 . . 348 PHE HB3 . 25985 1 1487 . 1 1 163 163 PHE HD1 H 1 7.136 0.002 . 3 . 1608 . . 348 PHE HD1 . 25985 1 1488 . 1 1 163 163 PHE HD2 H 1 7.136 0.002 . 3 . 1608 . . 348 PHE HD2 . 25985 1 1489 . 1 1 163 163 PHE HE1 H 1 7.272 0.006 . 3 . 1607 . . 348 PHE HE1 . 25985 1 1490 . 1 1 163 163 PHE HE2 H 1 7.272 0.006 . 3 . 1607 . . 348 PHE HE2 . 25985 1 1491 . 1 1 163 163 PHE N N 15 114.617 0.076 . 1 . 802 . . 348 PHE N . 25985 1 1492 . 1 1 164 164 VAL H H 1 6.517 0.005 . 1 . 1098 . . 349 VAL H . 25985 1 1493 . 1 1 164 164 VAL HA H 1 4.116 0.011 . 1 . 1106 . . 349 VAL HA . 25985 1 1494 . 1 1 164 164 VAL HB H 1 1.691 0.006 . 1 . 1114 . . 349 VAL HB . 25985 1 1495 . 1 1 164 164 VAL HG11 H 1 0.027 0.005 . 2 . 1102 . . 349 VAL HG11 . 25985 1 1496 . 1 1 164 164 VAL HG12 H 1 0.027 0.005 . 2 . 1102 . . 349 VAL HG12 . 25985 1 1497 . 1 1 164 164 VAL HG13 H 1 0.027 0.005 . 2 . 1102 . . 349 VAL HG13 . 25985 1 1498 . 1 1 164 164 VAL HG21 H 1 -0.294 0.005 . 2 . 1096 . . 349 VAL HG21 . 25985 1 1499 . 1 1 164 164 VAL HG22 H 1 -0.294 0.005 . 2 . 1096 . . 349 VAL HG22 . 25985 1 1500 . 1 1 164 164 VAL HG23 H 1 -0.294 0.005 . 2 . 1096 . . 349 VAL HG23 . 25985 1 1501 . 1 1 164 164 VAL CA C 13 60.724 0.131 . 1 . 1100 . . 349 VAL CA . 25985 1 1502 . 1 1 164 164 VAL CB C 13 31.973 0.198 . 1 . 1101 . . 349 VAL CB . 25985 1 1503 . 1 1 164 164 VAL CG1 C 13 23.439 0.045 . 2 . 1103 . . 349 VAL CG1 . 25985 1 1504 . 1 1 164 164 VAL CG2 C 13 20.112 0.109 . 2 . 1097 . . 349 VAL CG2 . 25985 1 1505 . 1 1 164 164 VAL N N 15 118.164 0.15 . 1 . 1099 . . 349 VAL N . 25985 1 1506 . 1 1 165 165 TYR H H 1 8.813 0.003 . 1 . 1111 . . 350 TYR H . 25985 1 1507 . 1 1 165 165 TYR HD1 H 1 7.069 0.002 . 3 . 1983 . . 350 TYR HD1 . 25985 1 1508 . 1 1 165 165 TYR HD2 H 1 7.069 0.002 . 3 . 1983 . . 350 TYR HD2 . 25985 1 1509 . 1 1 165 165 TYR CA C 13 53.612 . . 1 . 1440 . . 350 TYR CA . 25985 1 1510 . 1 1 165 165 TYR CB C 13 36.014 . . 1 . 1984 . . 350 TYR CB . 25985 1 1511 . 1 1 165 165 TYR N N 15 128.633 0.074 . 1 . 1439 . . 350 TYR N . 25985 1 1512 . 1 1 166 166 ARG H H 1 7.790 0.007 . 1 . 86 . . 351 ARG H . 25985 1 1513 . 1 1 166 166 ARG HD2 H 1 1.848 0.009 . 2 . 903 . . 351 ARG HD2 . 25985 1 1514 . 1 1 166 166 ARG HD3 H 1 0.318 0.006 . 2 . 904 . . 351 ARG HD3 . 25985 1 1515 . 1 1 166 166 ARG CA C 13 55.262 0.087 . 1 . 490 . . 351 ARG CA . 25985 1 1516 . 1 1 166 166 ARG CB C 13 29.912 0.077 . 1 . 489 . . 351 ARG CB . 25985 1 1517 . 1 1 166 166 ARG CD C 13 43.029 . . 1 . 905 . . 351 ARG CD . 25985 1 1518 . 1 1 166 166 ARG N N 15 114.926 0.045 . 1 . 87 . . 351 ARG N . 25985 1 1519 . 1 1 167 167 GLN H H 1 8.673 0.007 . 1 . 486 . . 352 GLN H . 25985 1 1520 . 1 1 167 167 GLN HA H 1 3.680 0.003 . 1 . 1095 . . 352 GLN HA . 25985 1 1521 . 1 1 167 167 GLN CA C 13 56.669 0.115 . 1 . 488 . . 352 GLN CA . 25985 1 1522 . 1 1 167 167 GLN CB C 13 27.479 0.28 . 1 . 716 . . 352 GLN CB . 25985 1 1523 . 1 1 167 167 GLN N N 15 120.688 0.048 . 1 . 487 . . 352 GLN N . 25985 1 1524 . 1 1 168 168 GLY H H 1 8.234 0.009 . 1 . 97 . . 353 GLY H . 25985 1 1525 . 1 1 168 168 GLY HA2 H 1 4.762 . . 2 . 908 . . 353 GLY HA2 . 25985 1 1526 . 1 1 168 168 GLY HA3 H 1 3.646 0.001 . 2 . 907 . . 353 GLY HA3 . 25985 1 1527 . 1 1 168 168 GLY CA C 13 45.361 0.07 . 1 . 485 . . 353 GLY CA . 25985 1 1528 . 1 1 168 168 GLY N N 15 105.285 0.093 . 1 . 98 . . 353 GLY N . 25985 1 1529 . 1 1 169 169 CYS H H 1 7.706 0.007 . 1 . 231 . . 354 CYS H . 25985 1 1530 . 1 1 169 169 CYS HA H 1 4.776 0.01 . 1 . 906 . . 354 CYS HA . 25985 1 1531 . 1 1 169 169 CYS HB2 H 1 3.277 0.006 . 2 . 677 . . 354 CYS HB2 . 25985 1 1532 . 1 1 169 169 CYS HB3 H 1 3.082 0.009 . 2 . 676 . . 354 CYS HB3 . 25985 1 1533 . 1 1 169 169 CYS CA C 13 57.793 0.126 . 1 . 483 . . 354 CYS CA . 25985 1 1534 . 1 1 169 169 CYS CB C 13 27.621 0.158 . 1 . 484 . . 354 CYS CB . 25985 1 1535 . 1 1 169 169 CYS N N 15 121.189 0.098 . 1 . 232 . . 354 CYS N . 25985 1 1536 . 1 1 170 170 PRO HA H 1 4.796 0.001 . 1 . 909 . . 355 PRO HA . 25985 1 1537 . 1 1 170 170 PRO HB3 H 1 1.895 0.002 . 1 . 1094 . . 355 PRO HB3 . 25985 1 1538 . 1 1 170 170 PRO CA C 13 62.239 0.187 . 1 . 311 . . 355 PRO CA . 25985 1 1539 . 1 1 170 170 PRO CB C 13 32.116 0.078 . 1 . 310 . . 355 PRO CB . 25985 1 1540 . 1 1 171 171 PHE H H 1 9.252 0.003 . 1 . 57 . . 356 PHE H . 25985 1 1541 . 1 1 171 171 PHE HA H 1 2.957 0.001 . 1 . 902 . . 356 PHE HA . 25985 1 1542 . 1 1 171 171 PHE HB2 H 1 2.441 0.001 . 2 . 1093 . . 356 PHE HB2 . 25985 1 1543 . 1 1 171 171 PHE HB3 H 1 2.332 0.007 . 2 . 910 . . 356 PHE HB3 . 25985 1 1544 . 1 1 171 171 PHE HD1 H 1 6.370 0.004 . 3 . 843 . . 356 PHE HD1 . 25985 1 1545 . 1 1 171 171 PHE HD2 H 1 6.370 0.004 . 3 . 843 . . 356 PHE HD2 . 25985 1 1546 . 1 1 171 171 PHE HE1 H 1 6.552 0.005 . 3 . 1555 . . 356 PHE HE1 . 25985 1 1547 . 1 1 171 171 PHE HE2 H 1 6.552 0.005 . 3 . 1555 . . 356 PHE HE2 . 25985 1 1548 . 1 1 171 171 PHE HZ H 1 5.805 0.005 . 1 . 885 . . 356 PHE HZ . 25985 1 1549 . 1 1 171 171 PHE CA C 13 57.631 0.137 . 1 . 306 . . 356 PHE CA . 25985 1 1550 . 1 1 171 171 PHE CB C 13 39.568 0.11 . 1 . 308 . . 356 PHE CB . 25985 1 1551 . 1 1 171 171 PHE N N 15 121.862 0.094 . 1 . 58 . . 356 PHE N . 25985 1 1552 . 1 1 172 172 GLN H H 1 7.237 0.006 . 1 . 59 . . 357 GLN H . 25985 1 1553 . 1 1 172 172 GLN HA H 1 4.276 0.004 . 1 . 1995 . . 357 GLN HA . 25985 1 1554 . 1 1 172 172 GLN HB2 H 1 1.512 0.0 . 2 . 1092 . . 357 GLN HB2 . 25985 1 1555 . 1 1 172 172 GLN HB3 H 1 1.575 0.0 . 2 . 1091 . . 357 GLN HB3 . 25985 1 1556 . 1 1 172 172 GLN HG3 H 1 1.963 0.007 . 1 . 1046 . . 357 GLN HG3 . 25985 1 1557 . 1 1 172 172 GLN HE21 H 1 6.789 0.005 . 1 . 1045 . . 357 GLN HE21 . 25985 1 1558 . 1 1 172 172 GLN HE22 H 1 7.310 0.003 . 1 . 1043 . . 357 GLN HE22 . 25985 1 1559 . 1 1 172 172 GLN CA C 13 50.528 . . 1 . 304 . . 357 GLN CA . 25985 1 1560 . 1 1 172 172 GLN CB C 13 28.947 . . 1 . 305 . . 357 GLN CB . 25985 1 1561 . 1 1 172 172 GLN N N 15 128.925 0.059 . 1 . 60 . . 357 GLN N . 25985 1 1562 . 1 1 172 172 GLN NE2 N 15 112.509 0.046 . 1 . 1044 . . 357 GLN NE2 . 25985 1 1563 . 1 1 173 173 PRO HA H 1 2.793 0.004 . 1 . 844 . . 358 PRO HA . 25985 1 1564 . 1 1 173 173 PRO HB2 H 1 1.790 0.006 . 2 . 846 . . 358 PRO HB2 . 25985 1 1565 . 1 1 173 173 PRO HB3 H 1 1.645 0.009 . 2 . 845 . . 358 PRO HB3 . 25985 1 1566 . 1 1 173 173 PRO HG2 H 1 1.806 0.004 . 2 . 1566 . . 358 PRO HG2 . 25985 1 1567 . 1 1 173 173 PRO HG3 H 1 1.922 0.001 . 2 . 1567 . . 358 PRO HG3 . 25985 1 1568 . 1 1 173 173 PRO HD3 H 1 3.484 0.003 . 1 . 1565 . . 358 PRO HD3 . 25985 1 1569 . 1 1 173 173 PRO CA C 13 62.221 . . 1 . 393 . . 358 PRO CA . 25985 1 1570 . 1 1 173 173 PRO CB C 13 31.830 . . 1 . 395 . . 358 PRO CB . 25985 1 1571 . 1 1 174 174 TRP H H 1 5.520 0.005 . 1 . 392 . . 359 TRP H . 25985 1 1572 . 1 1 174 174 TRP HA H 1 4.647 0.006 . 1 . 892 . . 359 TRP HA . 25985 1 1573 . 1 1 174 174 TRP HB2 H 1 3.263 0.004 . 2 . 894 . . 359 TRP HB2 . 25985 1 1574 . 1 1 174 174 TRP HB3 H 1 3.394 0.005 . 2 . 893 . . 359 TRP HB3 . 25985 1 1575 . 1 1 174 174 TRP HD1 H 1 7.027 0.004 . 1 . 891 . . 359 TRP HD1 . 25985 1 1576 . 1 1 174 174 TRP HE1 H 1 10.169 0.005 . 1 . 898 . . 359 TRP HE1 . 25985 1 1577 . 1 1 174 174 TRP HE3 H 1 7.638 0.006 . 1 . 890 . . 359 TRP HE3 . 25985 1 1578 . 1 1 174 174 TRP HZ2 H 1 6.309 0.004 . 1 . 886 . . 359 TRP HZ2 . 25985 1 1579 . 1 1 174 174 TRP HZ3 H 1 7.125 0.005 . 1 . 887 . . 359 TRP HZ3 . 25985 1 1580 . 1 1 174 174 TRP CA C 13 54.904 0.081 . 1 . 406 . . 359 TRP CA . 25985 1 1581 . 1 1 174 174 TRP CB C 13 28.680 0.087 . 1 . 404 . . 359 TRP CB . 25985 1 1582 . 1 1 174 174 TRP N N 15 117.710 0.059 . 1 . 394 . . 359 TRP N . 25985 1 1583 . 1 1 174 174 TRP NE1 N 15 129.307 0.026 . 1 . 1606 . . 359 TRP NE1 . 25985 1 1584 . 1 1 175 175 ASP H H 1 8.776 0.006 . 1 . 405 . . 360 ASP H . 25985 1 1585 . 1 1 175 175 ASP HA H 1 4.368 0.008 . 1 . 998 . . 360 ASP HA . 25985 1 1586 . 1 1 175 175 ASP HB2 H 1 2.678 0.004 . 2 . 1255 . . 360 ASP HB2 . 25985 1 1587 . 1 1 175 175 ASP HB3 H 1 2.644 0.008 . 2 . 997 . . 360 ASP HB3 . 25985 1 1588 . 1 1 175 175 ASP CA C 13 55.999 0.093 . 1 . 401 . . 360 ASP CA . 25985 1 1589 . 1 1 175 175 ASP CB C 13 40.731 0.22 . 1 . 403 . . 360 ASP CB . 25985 1 1590 . 1 1 175 175 ASP N N 15 121.753 0.08 . 1 . 407 . . 360 ASP N . 25985 1 1591 . 1 1 176 176 GLY H H 1 8.890 0.003 . 1 . 109 . . 361 GLY H . 25985 1 1592 . 1 1 176 176 GLY HA2 H 1 3.910 0.006 . 2 . 1621 . . 361 GLY HA2 . 25985 1 1593 . 1 1 176 176 GLY HA3 H 1 3.811 0.004 . 2 . 1620 . . 361 GLY HA3 . 25985 1 1594 . 1 1 176 176 GLY CA C 13 45.552 0.27 . 1 . 402 . . 361 GLY CA . 25985 1 1595 . 1 1 176 176 GLY N N 15 111.636 0.051 . 1 . 110 . . 361 GLY N . 25985 1 1596 . 1 1 177 177 LEU H H 1 6.994 0.005 . 1 . 277 . . 362 LEU H . 25985 1 1597 . 1 1 177 177 LEU HA H 1 4.467 0.01 . 1 . 881 . . 362 LEU HA . 25985 1 1598 . 1 1 177 177 LEU HB3 H 1 1.331 0.002 . 1 . 962 . . 362 LEU HB3 . 25985 1 1599 . 1 1 177 177 LEU HG H 1 1.387 0.01 . 1 . 1623 . . 362 LEU HG . 25985 1 1600 . 1 1 177 177 LEU HD11 H 1 1.030 0.009 . 2 . 879 . . 362 LEU HD11 . 25985 1 1601 . 1 1 177 177 LEU HD12 H 1 1.030 0.009 . 2 . 879 . . 362 LEU HD12 . 25985 1 1602 . 1 1 177 177 LEU HD13 H 1 1.030 0.009 . 2 . 879 . . 362 LEU HD13 . 25985 1 1603 . 1 1 177 177 LEU HD21 H 1 -0.269 0.005 . 2 . 884 . . 362 LEU HD21 . 25985 1 1604 . 1 1 177 177 LEU HD22 H 1 -0.269 0.005 . 2 . 884 . . 362 LEU HD22 . 25985 1 1605 . 1 1 177 177 LEU HD23 H 1 -0.269 0.005 . 2 . 884 . . 362 LEU HD23 . 25985 1 1606 . 1 1 177 177 LEU CA C 13 60.557 0.136 . 1 . 399 . . 362 LEU CA . 25985 1 1607 . 1 1 177 177 LEU CB C 13 42.375 0.208 . 1 . 400 . . 362 LEU CB . 25985 1 1608 . 1 1 177 177 LEU CD1 C 13 23.652 0.097 . 2 . 880 . . 362 LEU CD1 . 25985 1 1609 . 1 1 177 177 LEU CD2 C 13 27.989 0.014 . 2 . 883 . . 362 LEU CD2 . 25985 1 1610 . 1 1 177 177 LEU N N 15 120.230 0.11 . 1 . 278 . . 362 LEU N . 25985 1 1611 . 1 1 178 178 GLU H H 1 9.310 0.009 . 1 . 13 . . 363 GLU H . 25985 1 1612 . 1 1 178 178 GLU HA H 1 4.123 0.007 . 1 . 1378 . . 363 GLU HA . 25985 1 1613 . 1 1 178 178 GLU HB2 H 1 2.106 0.003 . 2 . 1089 . . 363 GLU HB2 . 25985 1 1614 . 1 1 178 178 GLU HB3 H 1 2.032 0.004 . 2 . 1169 . . 363 GLU HB3 . 25985 1 1615 . 1 1 178 178 GLU HG3 H 1 2.398 0.006 . 1 . 1090 . . 363 GLU HG3 . 25985 1 1616 . 1 1 178 178 GLU CA C 13 60.169 0.095 . 1 . 522 . . 363 GLU CA . 25985 1 1617 . 1 1 178 178 GLU CB C 13 29.186 0.097 . 1 . 521 . . 363 GLU CB . 25985 1 1618 . 1 1 178 178 GLU CG C 13 36.840 0.013 . 1 . 1379 . . 363 GLU CG . 25985 1 1619 . 1 1 178 178 GLU N N 15 119.663 0.066 . 1 . 14 . . 363 GLU N . 25985 1 1620 . 1 1 179 179 GLU H H 1 8.396 0.008 . 1 . 1604 . . 364 GLU H . 25985 1 1621 . 1 1 179 179 GLU HA H 1 4.006 0.007 . 1 . 1391 . . 364 GLU HA . 25985 1 1622 . 1 1 179 179 GLU HB2 H 1 1.806 0.002 . 2 . 1617 . . 364 GLU HB2 . 25985 1 1623 . 1 1 179 179 GLU HB3 H 1 1.961 0.006 . 2 . 1618 . . 364 GLU HB3 . 25985 1 1624 . 1 1 179 179 GLU CA C 13 60.278 . . 1 . 720 . . 364 GLU CA . 25985 1 1625 . 1 1 179 179 GLU CB C 13 28.474 . . 1 . 600 . . 364 GLU CB . 25985 1 1626 . 1 1 179 179 GLU N N 15 122.734 0.053 . 1 . 1605 . . 364 GLU N . 25985 1 1627 . 1 1 180 180 HIS H H 1 8.864 0.003 . 1 . 1615 . . 365 HIS H . 25985 1 1628 . 1 1 180 180 HIS HA H 1 4.829 0.002 . 1 . 966 . . 365 HIS HA . 25985 1 1629 . 1 1 180 180 HIS HB2 H 1 3.167 0.003 . 1 . 1616 . . 365 HIS HB2 . 25985 1 1630 . 1 1 180 180 HIS CA C 13 59.204 . . 1 . 588 . . 365 HIS CA . 25985 1 1631 . 1 1 181 181 SER H H 1 8.579 0.004 . 1 . 254 . . 366 SER H . 25985 1 1632 . 1 1 181 181 SER HA H 1 4.262 0.004 . 1 . 1088 . . 366 SER HA . 25985 1 1633 . 1 1 181 181 SER CA C 13 62.910 . . 1 . 587 . . 366 SER CA . 25985 1 1634 . 1 1 181 181 SER N N 15 115.853 0.135 . 1 . 255 . . 366 SER N . 25985 1 1635 . 1 1 182 182 GLN H H 1 8.651 0.005 . 1 . 176 . . 367 GLN H . 25985 1 1636 . 1 1 182 182 GLN HA H 1 4.239 0.012 . 1 . 1382 . . 367 GLN HA . 25985 1 1637 . 1 1 182 182 GLN HB2 H 1 2.309 0.008 . 2 . 1386 . . 367 GLN HB2 . 25985 1 1638 . 1 1 182 182 GLN HB3 H 1 2.240 0.02 . 2 . 1392 . . 367 GLN HB3 . 25985 1 1639 . 1 1 182 182 GLN HG2 H 1 2.659 0.005 . 2 . 1381 . . 367 GLN HG2 . 25985 1 1640 . 1 1 182 182 GLN HG3 H 1 2.535 0.004 . 2 . 1384 . . 367 GLN HG3 . 25985 1 1641 . 1 1 182 182 GLN HE21 H 1 7.621 0.003 . 1 . 1390 . . 367 GLN HE21 . 25985 1 1642 . 1 1 182 182 GLN HE22 H 1 6.870 0.006 . 1 . 1389 . . 367 GLN HE22 . 25985 1 1643 . 1 1 182 182 GLN CA C 13 59.312 0.109 . 1 . 1388 . . 367 GLN CA . 25985 1 1644 . 1 1 182 182 GLN CB C 13 28.397 0.17 . 1 . 1387 . . 367 GLN CB . 25985 1 1645 . 1 1 182 182 GLN CG C 13 34.001 0.055 . 1 . 1383 . . 367 GLN CG . 25985 1 1646 . 1 1 182 182 GLN N N 15 122.660 0.041 . 1 . 1385 . . 367 GLN N . 25985 1 1647 . 1 1 182 182 GLN NE2 N 15 111.721 0.008 . 1 . 1393 . . 367 GLN NE2 . 25985 1 1648 . 1 1 183 183 ALA H H 1 8.287 0.005 . 1 . 854 . . 368 ALA H . 25985 1 1649 . 1 1 183 183 ALA HA H 1 4.309 0.018 . 1 . 1087 . . 368 ALA HA . 25985 1 1650 . 1 1 183 183 ALA HB1 H 1 1.736 0.006 . 1 . 929 . . 368 ALA HB1 . 25985 1 1651 . 1 1 183 183 ALA HB2 H 1 1.736 0.006 . 1 . 929 . . 368 ALA HB2 . 25985 1 1652 . 1 1 183 183 ALA HB3 H 1 1.736 0.006 . 1 . 929 . . 368 ALA HB3 . 25985 1 1653 . 1 1 183 183 ALA CA C 13 55.414 0.068 . 1 . 585 . . 368 ALA CA . 25985 1 1654 . 1 1 183 183 ALA CB C 13 18.193 0.097 . 1 . 586 . . 368 ALA CB . 25985 1 1655 . 1 1 183 183 ALA N N 15 124.294 0.133 . 1 . 77 . . 368 ALA N . 25985 1 1656 . 1 1 184 184 LEU H H 1 8.683 0.005 . 1 . 1232 . . 369 LEU H . 25985 1 1657 . 1 1 184 184 LEU HA H 1 4.176 0.004 . 1 . 1228 . . 369 LEU HA . 25985 1 1658 . 1 1 184 184 LEU HB2 H 1 1.750 0.001 . 2 . 1230 . . 369 LEU HB2 . 25985 1 1659 . 1 1 184 184 LEU HB3 H 1 2.392 0.009 . 2 . 1229 . . 369 LEU HB3 . 25985 1 1660 . 1 1 184 184 LEU HG H 1 2.117 0.009 . 1 . 1226 . . 369 LEU HG . 25985 1 1661 . 1 1 184 184 LEU HD11 H 1 1.182 0.006 . 2 . 1225 . . 369 LEU HD11 . 25985 1 1662 . 1 1 184 184 LEU HD12 H 1 1.182 0.006 . 2 . 1225 . . 369 LEU HD12 . 25985 1 1663 . 1 1 184 184 LEU HD13 H 1 1.182 0.006 . 2 . 1225 . . 369 LEU HD13 . 25985 1 1664 . 1 1 184 184 LEU HD21 H 1 1.415 0.006 . 2 . 1086 . . 369 LEU HD21 . 25985 1 1665 . 1 1 184 184 LEU HD22 H 1 1.415 0.006 . 2 . 1086 . . 369 LEU HD22 . 25985 1 1666 . 1 1 184 184 LEU HD23 H 1 1.415 0.006 . 2 . 1086 . . 369 LEU HD23 . 25985 1 1667 . 1 1 184 184 LEU CA C 13 58.290 0.09 . 1 . 537 . . 369 LEU CA . 25985 1 1668 . 1 1 184 184 LEU CB C 13 43.175 . . 1 . 534 . . 369 LEU CB . 25985 1 1669 . 1 1 184 184 LEU CG C 13 27.730 0.06 . 1 . 1289 . . 369 LEU CG . 25985 1 1670 . 1 1 184 184 LEU CD1 C 13 24.854 0.035 . 2 . 1227 . . 369 LEU CD1 . 25985 1 1671 . 1 1 184 184 LEU CD2 C 13 26.867 0.113 . 2 . 1224 . . 369 LEU CD2 . 25985 1 1672 . 1 1 184 184 LEU N N 15 120.460 0.008 . 1 . 1428 . . 369 LEU N . 25985 1 1673 . 1 1 185 185 SER H H 1 8.960 0.004 . 1 . 1 . . 370 SER H . 25985 1 1674 . 1 1 185 185 SER HA H 1 4.206 0.006 . 1 . 1085 . . 370 SER HA . 25985 1 1675 . 1 1 185 185 SER HB3 H 1 4.031 0.01 . 1 . 1231 . . 370 SER HB3 . 25985 1 1676 . 1 1 185 185 SER CA C 13 62.605 0.059 . 1 . 535 . . 370 SER CA . 25985 1 1677 . 1 1 185 185 SER CB C 13 62.593 0.046 . 1 . 1421 . . 370 SER CB . 25985 1 1678 . 1 1 185 185 SER N N 15 117.035 0.083 . 1 . 2 . . 370 SER N . 25985 1 1679 . 1 1 186 186 GLY H H 1 8.210 0.004 . 1 . 3 . . 371 GLY H . 25985 1 1680 . 1 1 186 186 GLY HA3 H 1 4.141 0.0 . 1 . 1084 . . 371 GLY HA3 . 25985 1 1681 . 1 1 186 186 GLY CA C 13 47.316 0.074 . 1 . 553 . . 371 GLY CA . 25985 1 1682 . 1 1 186 186 GLY N N 15 110.044 0.114 . 1 . 4 . . 371 GLY N . 25985 1 1683 . 1 1 187 187 ARG H H 1 7.825 0.006 . 1 . 275 . . 372 ARG H . 25985 1 1684 . 1 1 187 187 ARG HA H 1 4.198 0.002 . 1 . 1082 . . 372 ARG HA . 25985 1 1685 . 1 1 187 187 ARG HB2 H 1 2.059 0.004 . 1 . 1083 . . 372 ARG HB2 . 25985 1 1686 . 1 1 187 187 ARG CA C 13 59.584 0.023 . 1 . 552 . . 372 ARG CA . 25985 1 1687 . 1 1 187 187 ARG CB C 13 30.182 0.114 . 1 . 1425 . . 372 ARG CB . 25985 1 1688 . 1 1 187 187 ARG N N 15 123.155 0.103 . 1 . 276 . . 372 ARG N . 25985 1 1689 . 1 1 188 188 LEU H H 1 8.787 0.005 . 1 . 1422 . . 373 LEU H . 25985 1 1690 . 1 1 188 188 LEU HA H 1 4.214 0.004 . 1 . 1427 . . 373 LEU HA . 25985 1 1691 . 1 1 188 188 LEU HB3 H 1 1.547 0.003 . 1 . 1080 . . 373 LEU HB3 . 25985 1 1692 . 1 1 188 188 LEU HD11 H 1 0.957 0.009 . 1 . 1078 . . 373 LEU HD11 . 25985 1 1693 . 1 1 188 188 LEU HD12 H 1 0.957 0.009 . 1 . 1078 . . 373 LEU HD12 . 25985 1 1694 . 1 1 188 188 LEU HD13 H 1 0.957 0.009 . 1 . 1078 . . 373 LEU HD13 . 25985 1 1695 . 1 1 188 188 LEU CA C 13 58.238 0.036 . 1 . 476 . . 373 LEU CA . 25985 1 1696 . 1 1 188 188 LEU CB C 13 40.830 0.142 . 1 . 1426 . . 373 LEU CB . 25985 1 1697 . 1 1 188 188 LEU N N 15 119.791 0.081 . 1 . 1423 . . 373 LEU N . 25985 1 1698 . 1 1 189 189 ARG H H 1 8.261 0.006 . 1 . 84 . . 374 ARG H . 25985 1 1699 . 1 1 189 189 ARG HA H 1 4.017 0.007 . 1 . 1081 . . 374 ARG HA . 25985 1 1700 . 1 1 189 189 ARG HB2 H 1 2.019 0.007 . 2 . 685 . . 374 ARG HB2 . 25985 1 1701 . 1 1 189 189 ARG HB3 H 1 1.942 0.009 . 2 . 1310 . . 374 ARG HB3 . 25985 1 1702 . 1 1 189 189 ARG HG2 H 1 1.628 0.007 . 2 . 1308 . . 374 ARG HG2 . 25985 1 1703 . 1 1 189 189 ARG HG3 H 1 1.860 0.006 . 2 . 1079 . . 374 ARG HG3 . 25985 1 1704 . 1 1 189 189 ARG HD2 H 1 3.284 0.006 . 2 . 1306 . . 374 ARG HD2 . 25985 1 1705 . 1 1 189 189 ARG HD3 H 1 3.232 0.005 . 2 . 1309 . . 374 ARG HD3 . 25985 1 1706 . 1 1 189 189 ARG CA C 13 59.705 0.181 . 1 . 474 . . 374 ARG CA . 25985 1 1707 . 1 1 189 189 ARG CB C 13 29.949 0.267 . 1 . 475 . . 374 ARG CB . 25985 1 1708 . 1 1 189 189 ARG CG C 13 27.881 0.043 . 1 . 1312 . . 374 ARG CG . 25985 1 1709 . 1 1 189 189 ARG CD C 13 43.622 0.062 . 1 . 1307 . . 374 ARG CD . 25985 1 1710 . 1 1 189 189 ARG N N 15 118.555 0.065 . 1 . 85 . . 374 ARG N . 25985 1 1711 . 1 1 190 190 ALA H H 1 7.399 0.005 . 1 . 117 . . 375 ALA H . 25985 1 1712 . 1 1 190 190 ALA HA H 1 4.209 0.006 . 1 . 683 . . 375 ALA HA . 25985 1 1713 . 1 1 190 190 ALA HB1 H 1 1.559 0.006 . 1 . 684 . . 375 ALA HB1 . 25985 1 1714 . 1 1 190 190 ALA HB2 H 1 1.559 0.006 . 1 . 684 . . 375 ALA HB2 . 25985 1 1715 . 1 1 190 190 ALA HB3 H 1 1.559 0.006 . 1 . 684 . . 375 ALA HB3 . 25985 1 1716 . 1 1 190 190 ALA CA C 13 54.771 0.218 . 1 . 472 . . 375 ALA CA . 25985 1 1717 . 1 1 190 190 ALA CB C 13 17.842 0.202 . 1 . 473 . . 375 ALA CB . 25985 1 1718 . 1 1 190 190 ALA N N 15 119.354 0.096 . 1 . 118 . . 375 ALA N . 25985 1 1719 . 1 1 191 191 ILE H H 1 7.840 0.006 . 1 . 271 . . 376 ILE H . 25985 1 1720 . 1 1 191 191 ILE HA H 1 3.763 0.006 . 1 . 744 . . 376 ILE HA . 25985 1 1721 . 1 1 191 191 ILE HB H 1 2.080 0.003 . 1 . 741 . . 376 ILE HB . 25985 1 1722 . 1 1 191 191 ILE HG12 H 1 2.104 0.0 . 2 . 742 . . 376 ILE HG12 . 25985 1 1723 . 1 1 191 191 ILE HG13 H 1 2.137 0.002 . 2 . 743 . . 376 ILE HG13 . 25985 1 1724 . 1 1 191 191 ILE HG21 H 1 0.929 0.005 . 1 . 740 . . 376 ILE HG21 . 25985 1 1725 . 1 1 191 191 ILE HG22 H 1 0.929 0.005 . 1 . 740 . . 376 ILE HG22 . 25985 1 1726 . 1 1 191 191 ILE HG23 H 1 0.929 0.005 . 1 . 740 . . 376 ILE HG23 . 25985 1 1727 . 1 1 191 191 ILE HD11 H 1 1.049 0.004 . 1 . 738 . . 376 ILE HD11 . 25985 1 1728 . 1 1 191 191 ILE HD12 H 1 1.049 0.004 . 1 . 738 . . 376 ILE HD12 . 25985 1 1729 . 1 1 191 191 ILE HD13 H 1 1.049 0.004 . 1 . 738 . . 376 ILE HD13 . 25985 1 1730 . 1 1 191 191 ILE CA C 13 64.857 0.141 . 1 . 470 . . 376 ILE CA . 25985 1 1731 . 1 1 191 191 ILE CB C 13 39.694 0.13 . 1 . 471 . . 376 ILE CB . 25985 1 1732 . 1 1 191 191 ILE CG2 C 13 17.867 0.085 . 1 . 745 . . 376 ILE CG2 . 25985 1 1733 . 1 1 191 191 ILE CD1 C 13 15.428 0.114 . 1 . 739 . . 376 ILE CD1 . 25985 1 1734 . 1 1 191 191 ILE N N 15 118.967 0.103 . 1 . 272 . . 376 ILE N . 25985 1 1735 . 1 1 192 192 LEU H H 1 8.299 0.004 . 1 . 95 . . 377 LEU H . 25985 1 1736 . 1 1 192 192 LEU HA H 1 4.264 0.004 . 1 . 1076 . . 377 LEU HA . 25985 1 1737 . 1 1 192 192 LEU HB2 H 1 1.570 0.001 . 2 . 1077 . . 377 LEU HB2 . 25985 1 1738 . 1 1 192 192 LEU HB3 H 1 1.928 0.001 . 2 . 1074 . . 377 LEU HB3 . 25985 1 1739 . 1 1 192 192 LEU HD11 H 1 0.939 0.002 . 1 . 1075 . . 377 LEU HD11 . 25985 1 1740 . 1 1 192 192 LEU HD12 H 1 0.939 0.002 . 1 . 1075 . . 377 LEU HD12 . 25985 1 1741 . 1 1 192 192 LEU HD13 H 1 0.939 0.002 . 1 . 1075 . . 377 LEU HD13 . 25985 1 1742 . 1 1 192 192 LEU CA C 13 55.693 0.151 . 1 . 579 . . 377 LEU CA . 25985 1 1743 . 1 1 192 192 LEU CB C 13 40.849 0.115 . 1 . 563 . . 377 LEU CB . 25985 1 1744 . 1 1 192 192 LEU N N 15 116.267 0.091 . 1 . 96 . . 377 LEU N . 25985 1 1745 . 1 1 193 193 GLN H H 1 7.928 0.004 . 1 . 17 . . 378 GLN H . 25985 1 1746 . 1 1 193 193 GLN HA H 1 4.269 0.005 . 1 . 1302 . . 378 GLN HA . 25985 1 1747 . 1 1 193 193 GLN HB3 H 1 2.162 0.003 . 1 . 1072 . . 378 GLN HB3 . 25985 1 1748 . 1 1 193 193 GLN HG3 H 1 2.404 0.009 . 1 . 1073 . . 378 GLN HG3 . 25985 1 1749 . 1 1 193 193 GLN CA C 13 56.541 0.097 . 1 . 715 . . 378 GLN CA . 25985 1 1750 . 1 1 193 193 GLN CB C 13 28.146 0.231 . 1 . 583 . . 378 GLN CB . 25985 1 1751 . 1 1 193 193 GLN N N 15 118.372 0.085 . 1 . 18 . . 378 GLN N . 25985 1 1752 . 1 1 194 194 ASN H H 1 8.119 0.009 . 1 . 218 . . 379 ASN H . 25985 1 1753 . 1 1 194 194 ASN HA H 1 4.667 0.017 . 1 . 1066 . . 379 ASN HA . 25985 1 1754 . 1 1 194 194 ASN HB2 H 1 2.837 0.014 . 2 . 1285 . . 379 ASN HB2 . 25985 1 1755 . 1 1 194 194 ASN HB3 H 1 2.772 0.023 . 2 . 1047 . . 379 ASN HB3 . 25985 1 1756 . 1 1 194 194 ASN HD21 H 1 6.912 0.004 . 1 . 1049 . . 379 ASN HD21 . 25985 1 1757 . 1 1 194 194 ASN HD22 H 1 7.580 0.005 . 1 . 1048 . . 379 ASN HD22 . 25985 1 1758 . 1 1 194 194 ASN CA C 13 53.572 0.072 . 1 . 584 . . 379 ASN CA . 25985 1 1759 . 1 1 194 194 ASN CB C 13 38.704 0.172 . 1 . 1286 . . 379 ASN CB . 25985 1 1760 . 1 1 194 194 ASN N N 15 118.580 0.042 . 1 . 219 . . 379 ASN N . 25985 1 1761 . 1 1 194 194 ASN ND2 N 15 112.843 0.034 . 1 . 1050 . . 379 ASN ND2 . 25985 1 1762 . 1 1 195 195 GLN H H 1 8.497 0.005 . 1 . 125 . . 380 GLN H . 25985 1 1763 . 1 1 195 195 GLN HA H 1 4.332 0.01 . 1 . 1065 . . 380 GLN HA . 25985 1 1764 . 1 1 195 195 GLN HB2 H 1 1.958 0.005 . 2 . 1071 . . 380 GLN HB2 . 25985 1 1765 . 1 1 195 195 GLN HB3 H 1 2.152 0.007 . 2 . 1070 . . 380 GLN HB3 . 25985 1 1766 . 1 1 195 195 GLN HG2 H 1 2.415 . . 2 . 1301 . . 380 GLN HG2 . 25985 1 1767 . 1 1 195 195 GLN HG3 H 1 2.353 0.008 . 2 . 1303 . . 380 GLN HG3 . 25985 1 1768 . 1 1 195 195 GLN HE21 H 1 6.851 0.012 . 1 . 1069 . . 380 GLN HE21 . 25985 1 1769 . 1 1 195 195 GLN HE22 H 1 7.497 0.003 . 1 . 1068 . . 380 GLN HE22 . 25985 1 1770 . 1 1 195 195 GLN CA C 13 56.234 0.115 . 1 . 609 . . 380 GLN CA . 25985 1 1771 . 1 1 195 195 GLN CB C 13 29.308 0.264 . 1 . 608 . . 380 GLN CB . 25985 1 1772 . 1 1 195 195 GLN CG C 13 33.877 0.035 . 1 . 1300 . . 380 GLN CG . 25985 1 1773 . 1 1 195 195 GLN N N 15 120.784 0.085 . 1 . 126 . . 380 GLN N . 25985 1 1774 . 1 1 195 195 GLN NE2 N 15 112.108 0.034 . 1 . 1067 . . 380 GLN NE2 . 25985 1 1775 . 1 1 196 196 GLY H H 1 8.434 0.004 . 1 . 256 . . 381 GLY H . 25985 1 1776 . 1 1 196 196 GLY HA3 H 1 3.925 0.002 . 1 . 1064 . . 381 GLY HA3 . 25985 1 1777 . 1 1 196 196 GLY CA C 13 45.301 0.036 . 1 . 581 . . 381 GLY CA . 25985 1 1778 . 1 1 196 196 GLY N N 15 109.559 0.029 . 1 . 257 . . 381 GLY N . 25985 1 1779 . 1 1 197 197 ASN H H 1 8.357 0.002 . 1 . 29 . . 382 ASN H . 25985 1 1780 . 1 1 197 197 ASN HA H 1 4.685 0.022 . 1 . 1000 . . 382 ASN HA . 25985 1 1781 . 1 1 197 197 ASN HB2 H 1 2.717 0.007 . 2 . 1287 . . 382 ASN HB2 . 25985 1 1782 . 1 1 197 197 ASN HB3 H 1 2.791 0.012 . 2 . 999 . . 382 ASN HB3 . 25985 1 1783 . 1 1 197 197 ASN HD21 H 1 6.885 0.002 . 1 . 1052 . . 382 ASN HD21 . 25985 1 1784 . 1 1 197 197 ASN HD22 H 1 7.592 0.008 . 1 . 1051 . . 382 ASN HD22 . 25985 1 1785 . 1 1 197 197 ASN CA C 13 53.418 0.181 . 1 . 580 . . 382 ASN CA . 25985 1 1786 . 1 1 197 197 ASN CB C 13 38.596 0.179 . 1 . 546 . . 382 ASN CB . 25985 1 1787 . 1 1 197 197 ASN N N 15 118.659 0.088 . 1 . 30 . . 382 ASN N . 25985 1 1788 . 1 1 197 197 ASN ND2 N 15 112.636 0.039 . 1 . 1053 . . 382 ASN ND2 . 25985 1 1789 . 1 1 198 198 LEU H H 1 8.259 0.005 . 1 . 9 . . 383 LEU H . 25985 1 1790 . 1 1 198 198 LEU HA H 1 4.265 0.006 . 1 . 1062 . . 383 LEU HA . 25985 1 1791 . 1 1 198 198 LEU HB2 H 1 1.568 0.001 . 2 . 1280 . . 383 LEU HB2 . 25985 1 1792 . 1 1 198 198 LEU HB3 H 1 1.524 0.013 . 2 . 1063 . . 383 LEU HB3 . 25985 1 1793 . 1 1 198 198 LEU HG H 1 1.573 0.004 . 1 . 1314 . . 383 LEU HG . 25985 1 1794 . 1 1 198 198 LEU HD11 H 1 0.799 0.005 . 2 . 1279 . . 383 LEU HD11 . 25985 1 1795 . 1 1 198 198 LEU HD12 H 1 0.799 0.005 . 2 . 1279 . . 383 LEU HD12 . 25985 1 1796 . 1 1 198 198 LEU HD13 H 1 0.799 0.005 . 2 . 1279 . . 383 LEU HD13 . 25985 1 1797 . 1 1 198 198 LEU HD21 H 1 0.877 0.003 . 2 . 827 . . 383 LEU HD21 . 25985 1 1798 . 1 1 198 198 LEU HD22 H 1 0.877 0.003 . 2 . 827 . . 383 LEU HD22 . 25985 1 1799 . 1 1 198 198 LEU HD23 H 1 0.877 0.003 . 2 . 827 . . 383 LEU HD23 . 25985 1 1800 . 1 1 198 198 LEU CA C 13 55.309 0.147 . 1 . 544 . . 383 LEU CA . 25985 1 1801 . 1 1 198 198 LEU CB C 13 41.701 0.158 . 1 . 545 . . 383 LEU CB . 25985 1 1802 . 1 1 198 198 LEU CG C 13 26.914 0.001 . 1 . 1313 . . 383 LEU CG . 25985 1 1803 . 1 1 198 198 LEU CD1 C 13 23.411 0.018 . 2 . 1315 . . 383 LEU CD1 . 25985 1 1804 . 1 1 198 198 LEU CD2 C 13 24.897 0.003 . 2 . 828 . . 383 LEU CD2 . 25985 1 1805 . 1 1 198 198 LEU N N 15 122.433 0.072 . 1 . 10 . . 383 LEU N . 25985 1 1806 . 1 1 199 199 GLU H H 1 8.306 0.004 . 1 . 167 . . 384 GLU H . 25985 1 1807 . 1 1 199 199 GLU HA H 1 4.170 0.01 . 1 . 1059 . . 384 GLU HA . 25985 1 1808 . 1 1 199 199 GLU HB2 H 1 1.832 0.005 . 2 . 1060 . . 384 GLU HB2 . 25985 1 1809 . 1 1 199 199 GLU HB3 H 1 1.880 0.006 . 2 . 1257 . . 384 GLU HB3 . 25985 1 1810 . 1 1 199 199 GLU HG2 H 1 2.180 0.005 . 2 . 1258 . . 384 GLU HG2 . 25985 1 1811 . 1 1 199 199 GLU HG3 H 1 2.116 0.004 . 2 . 1061 . . 384 GLU HG3 . 25985 1 1812 . 1 1 199 199 GLU CA C 13 56.607 0.053 . 1 . 602 . . 384 GLU CA . 25985 1 1813 . 1 1 199 199 GLU CB C 13 30.129 0.112 . 1 . 601 . . 384 GLU CB . 25985 1 1814 . 1 1 199 199 GLU CG C 13 36.220 0.031 . 1 . 1290 . . 384 GLU CG . 25985 1 1815 . 1 1 199 199 GLU N N 15 121.077 0.053 . 1 . 168 . . 384 GLU N . 25985 1 1816 . 1 1 200 200 HIS H H 1 8.331 0.006 . 1 . 262 . . 385 HIS H . 25985 1 1817 . 1 1 200 200 HIS N N 15 119.501 0.034 . 1 . 263 . . 385 HIS N . 25985 1 1818 . 1 1 202 202 HIS HA H 1 4.567 0.001 . 1 . 1268 . . 387 HIS HA . 25985 1 1819 . 1 1 202 202 HIS HB2 H 1 2.950 . . 2 . 1269 . . 387 HIS HB2 . 25985 1 1820 . 1 1 202 202 HIS HB3 H 1 3.019 . . 2 . 1271 . . 387 HIS HB3 . 25985 1 1821 . 1 1 202 202 HIS CA C 13 55.998 . . 1 . 1270 . . 387 HIS CA . 25985 1 1822 . 1 1 203 203 HIS HA H 1 4.491 0.001 . 1 . 1265 . . 388 HIS HA . 25985 1 1823 . 1 1 203 203 HIS HB2 H 1 2.902 . . 2 . 1266 . . 388 HIS HB2 . 25985 1 1824 . 1 1 203 203 HIS HB3 H 1 2.983 . . 2 . 1267 . . 388 HIS HB3 . 25985 1 1825 . 1 1 203 203 HIS CA C 13 56.626 0.032 . 1 . 603 . . 388 HIS CA . 25985 1 1826 . 1 1 203 203 HIS CB C 13 29.649 . . 1 . 604 . . 388 HIS CB . 25985 1 1827 . 1 1 204 204 HIS H H 1 8.233 0.007 . 1 . 264 . . 389 HIS H . 25985 1 1828 . 1 1 204 204 HIS HA H 1 4.579 0.01 . 1 . 1262 . . 389 HIS HA . 25985 1 1829 . 1 1 204 204 HIS HB2 H 1 3.100 . . 2 . 1263 . . 389 HIS HB2 . 25985 1 1830 . 1 1 204 204 HIS HB3 H 1 3.042 . . 2 . 1264 . . 389 HIS HB3 . 25985 1 1831 . 1 1 204 204 HIS CA C 13 56.122 0.16 . 1 . 323 . . 389 HIS CA . 25985 1 1832 . 1 1 204 204 HIS CB C 13 30.045 0.067 . 1 . 605 . . 389 HIS CB . 25985 1 1833 . 1 1 204 204 HIS N N 15 120.159 0.059 . 1 . 265 . . 389 HIS N . 25985 1 1834 . 1 1 205 205 HIS H H 1 8.044 0.008 . 1 . 107 . . 390 HIS H . 25985 1 1835 . 1 1 205 205 HIS HA H 1 4.395 0.005 . 1 . 1261 . . 390 HIS HA . 25985 1 1836 . 1 1 205 205 HIS HB2 H 1 3.154 0.003 . 2 . 1259 . . 390 HIS HB2 . 25985 1 1837 . 1 1 205 205 HIS HB3 H 1 3.029 0.007 . 2 . 1260 . . 390 HIS HB3 . 25985 1 1838 . 1 1 205 205 HIS CA C 13 57.459 0.029 . 1 . 324 . . 390 HIS CA . 25985 1 1839 . 1 1 205 205 HIS CB C 13 30.415 0.142 . 1 . 325 . . 390 HIS CB . 25985 1 1840 . 1 1 205 205 HIS N N 15 125.601 0.022 . 1 . 108 . . 390 HIS N . 25985 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 25985 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $H2O _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 2 $13C_15N_A3B-CTD isotropic 25985 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 3 3 ILE H H 1 8.347 . . 1 . 206 . . 188 ILE H . 25985 2 2 . 1 1 3 3 ILE N N 15 123.218 . . 1 . 207 . . 188 ILE N . 25985 2 3 . 1 1 4 4 LEU H H 1 8.269 . . 1 . 99 . . 189 LEU H . 25985 2 4 . 1 1 4 4 LEU N N 15 127.215 . . 1 . 100 . . 189 LEU N . 25985 2 5 . 1 1 5 5 ARG H H 1 8.105 . . 1 . 73 . . 190 ARG H . 25985 2 6 . 1 1 5 5 ARG N N 15 121.584 . . 1 . 74 . . 190 ARG N . 25985 2 7 . 1 1 6 6 TYR H H 1 8.231 . . 1 . 185 . . 191 TYR H . 25985 2 8 . 1 1 6 6 TYR N N 15 121.960 . . 1 . 186 . . 191 TYR N . 25985 2 9 . 1 1 7 7 LEU H H 1 7.958 . . 1 . 598 . . 192 LEU H . 25985 2 10 . 1 1 7 7 LEU N N 15 122.011 . . 1 . 596 . . 192 LEU N . 25985 2 11 . 1 1 8 8 MET H H 1 8.730 . . 1 . 71 . . 193 MET H . 25985 2 12 . 1 1 8 8 MET N N 15 120.766 . . 1 . 72 . . 193 MET N . 25985 2 13 . 1 1 11 11 ASP H H 1 8.443 . . 1 . 135 . . 196 ASP H . 25985 2 14 . 1 1 11 11 ASP N N 15 118.270 . . 1 . 136 . . 196 ASP N . 25985 2 15 . 1 1 12 12 THR H H 1 7.896 . . 1 . 69 . . 197 THR H . 25985 2 16 . 1 1 12 12 THR N N 15 118.949 . . 1 . 70 . . 197 THR N . 25985 2 17 . 1 1 13 13 PHE H H 1 8.000 . . 1 . 283 . . 198 PHE H . 25985 2 18 . 1 1 13 13 PHE N N 15 123.178 . . 1 . 284 . . 198 PHE N . 25985 2 19 . 1 1 14 14 THR H H 1 9.066 . . 1 . 78 . . 199 THR H . 25985 2 20 . 1 1 14 14 THR N N 15 116.295 . . 1 . 79 . . 199 THR N . 25985 2 21 . 1 1 17 17 PHE H H 1 8.424 . . 1 . 1581 . . 202 PHE H . 25985 2 22 . 1 1 17 17 PHE N N 15 117.493 . . 1 . 1582 . . 202 PHE N . 25985 2 23 . 1 1 18 18 ASN H H 1 5.915 . . 1 . 129 . . 203 ASN H . 25985 2 24 . 1 1 18 18 ASN N N 15 114.115 . . 1 . 130 . . 203 ASN N . 25985 2 25 . 1 1 19 19 ASN H H 1 7.109 . . 1 . 143 . . 204 ASN H . 25985 2 26 . 1 1 19 19 ASN N N 15 123.717 . . 1 . 144 . . 204 ASN N . 25985 2 27 . 1 1 27 27 ARG H H 1 8.997 . . 1 . 1999 . . 212 ARG H . 25985 2 28 . 1 1 27 27 ARG N N 15 120.085 . . 1 . 2000 . . 212 ARG N . 25985 2 29 . 1 1 28 28 GLN HE21 H 1 7.446 . . 1 . 1403 . . 213 GLN HE21 . 25985 2 30 . 1 1 28 28 GLN NE2 N 15 112.598 . . 1 . 1404 . . 213 GLN NE2 . 25985 2 31 . 1 1 30 30 TYR H H 1 8.261 . . 1 . 1444 . . 215 TYR H . 25985 2 32 . 1 1 30 30 TYR N N 15 122.451 . . 1 . 1445 . . 215 TYR N . 25985 2 33 . 1 1 31 31 LEU H H 1 9.214 . . 1 . 250 . . 216 LEU H . 25985 2 34 . 1 1 31 31 LEU N N 15 125.688 . . 1 . 251 . . 216 LEU N . 25985 2 35 . 1 1 32 32 CYS H H 1 9.661 . . 1 . 248 . . 217 CYS H . 25985 2 36 . 1 1 32 32 CYS N N 15 125.975 . . 1 . 249 . . 217 CYS N . 25985 2 37 . 1 1 33 33 TYR H H 1 9.005 . . 1 . 296 . . 218 TYR H . 25985 2 38 . 1 1 33 33 TYR N N 15 121.163 . . 1 . 297 . . 218 TYR N . 25985 2 39 . 1 1 34 34 GLU H H 1 8.698 . . 1 . 216 . . 219 GLU H . 25985 2 40 . 1 1 34 34 GLU N N 15 112.564 . . 1 . 217 . . 219 GLU N . 25985 2 41 . 1 1 35 35 VAL H H 1 8.067 . . 1 . 191 . . 220 VAL H . 25985 2 42 . 1 1 35 35 VAL N N 15 119.658 . . 1 . 192 . . 220 VAL N . 25985 2 43 . 1 1 36 36 GLU H H 1 9.241 . . 1 . 105 . . 221 GLU H . 25985 2 44 . 1 1 36 36 GLU N N 15 124.205 . . 1 . 106 . . 221 GLU N . 25985 2 45 . 1 1 37 37 ARG H H 1 9.504 . . 1 . 131 . . 222 ARG H . 25985 2 46 . 1 1 37 37 ARG N N 15 123.253 . . 1 . 132 . . 222 ARG N . 25985 2 47 . 1 1 38 38 LEU H H 1 8.508 . . 1 . 260 . . 223 LEU H . 25985 2 48 . 1 1 38 38 LEU N N 15 128.193 . . 1 . 261 . . 223 LEU N . 25985 2 49 . 1 1 39 39 ASP H H 1 9.028 . . 1 . 572 . . 224 ASP H . 25985 2 50 . 1 1 39 39 ASP N N 15 130.406 . . 1 . 573 . . 224 ASP N . 25985 2 51 . 1 1 40 40 ASN H H 1 9.241 . . 1 . 369 . . 225 ASN H . 25985 2 52 . 1 1 40 40 ASN HD21 H 1 7.614 . . 1 . 1453 . . 225 ASN HD21 . 25985 2 53 . 1 1 40 40 ASN HD22 H 1 6.823 . . 1 . 1452 . . 225 ASN HD22 . 25985 2 54 . 1 1 40 40 ASN N N 15 124.532 . . 1 . 92 . . 225 ASN N . 25985 2 55 . 1 1 40 40 ASN ND2 N 15 113.376 0.009 . 1 . 1454 . . 225 ASN ND2 . 25985 2 56 . 1 1 41 41 GLY H H 1 7.949 . . 1 . 364 . . 226 GLY H . 25985 2 57 . 1 1 41 41 GLY N N 15 102.248 . . 1 . 365 . . 226 GLY N . 25985 2 58 . 1 1 42 42 THR H H 1 7.535 . . 1 . 147 . . 227 THR H . 25985 2 59 . 1 1 42 42 THR N N 15 117.200 . . 1 . 148 . . 227 THR N . 25985 2 60 . 1 1 43 43 TRP H H 1 8.348 . . 1 . 25 . . 228 TRP H . 25985 2 61 . 1 1 43 43 TRP HE1 H 1 9.876 . . 1 . 746 . . 228 TRP HE1 . 25985 2 62 . 1 1 43 43 TRP N N 15 126.260 . . 1 . 26 . . 228 TRP N . 25985 2 63 . 1 1 43 43 TRP NE1 N 15 128.022 . . 1 . 783 . . 228 TRP NE1 . 25985 2 64 . 1 1 44 44 VAL H H 1 9.666 . . 1 . 82 . . 229 VAL H . 25985 2 65 . 1 1 44 44 VAL N N 15 126.785 . . 1 . 83 . . 229 VAL N . 25985 2 66 . 1 1 45 45 LEU H H 1 8.829 . . 1 . 208 . . 230 LEU H . 25985 2 67 . 1 1 45 45 LEU N N 15 129.641 . . 1 . 209 . . 230 LEU N . 25985 2 68 . 1 1 46 46 MET H H 1 9.023 . . 1 . 252 . . 231 MET H . 25985 2 69 . 1 1 46 46 MET N N 15 126.813 . . 1 . 253 . . 231 MET N . 25985 2 70 . 1 1 48 48 GLN H H 1 9.265 . . 1 . 204 . . 233 GLN H . 25985 2 71 . 1 1 48 48 GLN HE22 H 1 7.565 . . 1 . 1371 . . 233 GLN HE22 . 25985 2 72 . 1 1 48 48 GLN N N 15 117.072 . . 1 . 205 . . 233 GLN N . 25985 2 73 . 1 1 48 48 GLN NE2 N 15 112.424 . . 1 . 1367 . . 233 GLN NE2 . 25985 2 74 . 1 1 49 49 HIS H H 1 8.026 . . 1 . 227 . . 234 HIS H . 25985 2 75 . 1 1 49 49 HIS N N 15 122.721 . . 1 . 228 . . 234 HIS N . 25985 2 76 . 1 1 50 50 MET H H 1 7.211 . . 1 . 53 . . 235 MET H . 25985 2 77 . 1 1 50 50 MET N N 15 115.277 . . 1 . 54 . . 235 MET N . 25985 2 78 . 1 1 51 51 GLY H H 1 7.448 . . 1 . 220 . . 236 GLY H . 25985 2 79 . 1 1 51 51 GLY N N 15 107.795 . . 1 . 221 . . 236 GLY N . 25985 2 80 . 1 1 52 52 PHE H H 1 8.309 . . 1 . 181 . . 237 PHE H . 25985 2 81 . 1 1 52 52 PHE N N 15 114.277 . . 1 . 182 . . 237 PHE N . 25985 2 82 . 1 1 53 53 LEU H H 1 9.501 . . 1 . 11 . . 238 LEU H . 25985 2 83 . 1 1 53 53 LEU N N 15 120.381 . . 1 . 12 . . 238 LEU N . 25985 2 84 . 1 1 56 56 GLU H H 1 7.541 . . 1 . 80 . . 241 GLU H . 25985 2 85 . 1 1 56 56 GLU N N 15 123.128 . . 1 . 81 . . 241 GLU N . 25985 2 86 . 1 1 58 58 LYS H H 1 8.312 . . 1 . 162 . . 243 LYS H . 25985 2 87 . 1 1 58 58 LYS N N 15 120.204 . . 1 . 163 . . 243 LYS N . 25985 2 88 . 1 1 61 61 LEU H H 1 8.161 . . 1 . 643 . . 246 LEU H . 25985 2 89 . 1 1 61 61 LEU N N 15 120.287 . . 1 . 169 . . 246 LEU N . 25985 2 90 . 1 1 62 62 CYS H H 1 7.514 . . 1 . 637 . . 247 CYS H . 25985 2 91 . 1 1 62 62 CYS N N 15 114.751 . . 1 . 638 . . 247 CYS N . 25985 2 92 . 1 1 63 63 GLY H H 1 7.876 . . 1 . 636 . . 248 GLY H . 25985 2 93 . 1 1 63 63 GLY N N 15 109.375 . . 1 . 266 . . 248 GLY N . 25985 2 94 . 1 1 64 64 PHE H H 1 7.755 . . 1 . 246 . . 249 PHE H . 25985 2 95 . 1 1 64 64 PHE N N 15 119.131 . . 1 . 247 . . 249 PHE N . 25985 2 96 . 1 1 65 65 TYR H H 1 8.510 . . 1 . 1436 . . 250 TYR H . 25985 2 97 . 1 1 65 65 TYR N N 15 124.339 . . 1 . 1435 . . 250 TYR N . 25985 2 98 . 1 1 66 66 GLY H H 1 6.796 . . 1 . 170 . . 251 GLY H . 25985 2 99 . 1 1 66 66 GLY N N 15 117.471 . . 1 . 171 . . 251 GLY N . 25985 2 100 . 1 1 67 67 ARG H H 1 8.246 . . 1 . 1997 . . 252 ARG H . 25985 2 101 . 1 1 67 67 ARG N N 15 121.978 . . 1 . 1998 . . 252 ARG N . 25985 2 102 . 1 1 68 68 HIS H H 1 8.999 . . 1 . 27 . . 253 HIS H . 25985 2 103 . 1 1 68 68 HIS N N 15 126.825 . . 1 . 28 . . 253 HIS N . 25985 2 104 . 1 1 69 69 ALA H H 1 8.801 . . 1 . 411 . . 254 ALA H . 25985 2 105 . 1 1 69 69 ALA N N 15 125.783 . . 1 . 412 . . 254 ALA N . 25985 2 106 . 1 1 70 70 GLU H H 1 12.559 . . 1 . 2005 . . 255 GLU H . 25985 2 107 . 1 1 70 70 GLU N N 15 119.645 . . 1 . 2006 . . 255 GLU N . 25985 2 108 . 1 1 71 71 LEU H H 1 6.632 . . 1 . 279 . . 256 LEU H . 25985 2 109 . 1 1 71 71 LEU N N 15 115.243 . . 1 . 280 . . 256 LEU N . 25985 2 110 . 1 1 72 72 ARG H H 1 7.585 . . 1 . 293 . . 257 ARG H . 25985 2 111 . 1 1 72 72 ARG N N 15 118.084 . . 1 . 294 . . 257 ARG N . 25985 2 112 . 1 1 73 73 PHE H H 1 7.669 . . 1 . 49 . . 258 PHE H . 25985 2 113 . 1 1 73 73 PHE N N 15 117.640 . . 1 . 50 . . 258 PHE N . 25985 2 114 . 1 1 74 74 LEU H H 1 7.674 . . 1 . 225 . . 259 LEU H . 25985 2 115 . 1 1 74 74 LEU N N 15 119.582 . . 1 . 226 . . 259 LEU N . 25985 2 116 . 1 1 75 75 ASP H H 1 8.195 . . 1 . 240 . . 260 ASP H . 25985 2 117 . 1 1 75 75 ASP N N 15 118.502 . . 1 . 241 . . 260 ASP N . 25985 2 118 . 1 1 76 76 LEU H H 1 7.274 . . 1 . 224 . . 261 LEU H . 25985 2 119 . 1 1 76 76 LEU N N 15 117.894 . . 1 . 671 . . 261 LEU N . 25985 2 120 . 1 1 77 77 VAL H H 1 7.166 . . 1 . 5 . . 262 VAL H . 25985 2 121 . 1 1 77 77 VAL N N 15 120.464 . . 1 . 6 . . 262 VAL N . 25985 2 122 . 1 1 79 79 SER H H 1 7.812 . . 1 . 177 . . 264 SER H . 25985 2 123 . 1 1 79 79 SER N N 15 112.744 . . 1 . 178 . . 264 SER N . 25985 2 124 . 1 1 80 80 LEU H H 1 7.918 . . 1 . 39 . . 265 LEU H . 25985 2 125 . 1 1 80 80 LEU N N 15 121.001 . . 1 . 40 . . 265 LEU N . 25985 2 126 . 1 1 81 81 GLN H H 1 7.419 . . 1 . 31 . . 266 GLN H . 25985 2 127 . 1 1 81 81 GLN HE21 H 1 6.818 . . 1 . 2028 . . 266 GLN HE21 . 25985 2 128 . 1 1 81 81 GLN HE22 H 1 6.818 . . 1 . 1375 . . 266 GLN HE22 . 25985 2 129 . 1 1 81 81 GLN N N 15 111.133 . . 1 . 32 . . 266 GLN N . 25985 2 130 . 1 1 81 81 GLN NE2 N 15 112.102 . . 1 . 1376 . . 266 GLN NE2 . 25985 2 131 . 1 1 82 82 LEU H H 1 8.723 . . 1 . 158 . . 267 LEU H . 25985 2 132 . 1 1 82 82 LEU N N 15 118.577 . . 1 . 159 . . 267 LEU N . 25985 2 133 . 1 1 83 83 ASP H H 1 8.524 . . 1 . 93 . . 268 ASP H . 25985 2 134 . 1 1 83 83 ASP N N 15 126.723 . . 1 . 94 . . 268 ASP N . 25985 2 135 . 1 1 85 85 ALA H H 1 8.522 . . 1 . 37 . . 270 ALA H . 25985 2 136 . 1 1 85 85 ALA N N 15 121.148 . . 1 . 38 . . 270 ALA N . 25985 2 137 . 1 1 86 86 GLN H H 1 8.158 . . 1 . 7 . . 271 GLN H . 25985 2 138 . 1 1 86 86 GLN HE21 H 1 6.887 . . 1 . 928 . . 271 GLN HE21 . 25985 2 139 . 1 1 86 86 GLN HE22 H 1 7.741 . . 1 . 927 . . 271 GLN HE22 . 25985 2 140 . 1 1 86 86 GLN N N 15 119.837 . . 1 . 8 . . 271 GLN N . 25985 2 141 . 1 1 86 86 GLN NE2 N 15 113.654 0.003 . 1 . 981 . . 271 GLN NE2 . 25985 2 142 . 1 1 87 87 ILE H H 1 8.250 . . 1 . 287 . . 272 ILE H . 25985 2 143 . 1 1 87 87 ILE N N 15 119.458 . . 1 . 288 . . 272 ILE N . 25985 2 144 . 1 1 88 88 TYR H H 1 8.900 . . 1 . 127 . . 273 TYR H . 25985 2 145 . 1 1 88 88 TYR N N 15 122.072 . . 1 . 128 . . 273 TYR N . 25985 2 146 . 1 1 89 89 ARG H H 1 9.280 . . 1 . 115 . . 274 ARG H . 25985 2 147 . 1 1 89 89 ARG N N 15 121.445 . . 1 . 116 . . 274 ARG N . 25985 2 148 . 1 1 90 90 VAL H H 1 9.612 . . 1 . 43 . . 275 VAL H . 25985 2 149 . 1 1 90 90 VAL N N 15 132.433 . . 1 . 44 . . 275 VAL N . 25985 2 150 . 1 1 91 91 THR H H 1 8.943 . . 1 . 88 . . 276 THR H . 25985 2 151 . 1 1 91 91 THR N N 15 124.183 . . 1 . 89 . . 276 THR N . 25985 2 152 . 1 1 92 92 TRP H H 1 8.808 . . 1 . 408 . . 277 TRP H . 25985 2 153 . 1 1 92 92 TRP HE1 H 1 5.520 . . 1 . 409 . . 277 TRP HE1 . 25985 2 154 . 1 1 92 92 TRP N N 15 124.322 . . 1 . 295 . . 277 TRP N . 25985 2 155 . 1 1 92 92 TRP NE1 N 15 119.176 . . 1 . 410 . . 277 TRP NE1 . 25985 2 156 . 1 1 93 93 PHE H H 1 9.568 . . 1 . 196 . . 278 PHE H . 25985 2 157 . 1 1 93 93 PHE N N 15 122.850 . . 1 . 197 . . 278 PHE N . 25985 2 158 . 1 1 94 94 ILE H H 1 9.807 . . 1 . 133 . . 279 ILE H . 25985 2 159 . 1 1 94 94 ILE N N 15 124.898 . . 1 . 134 . . 279 ILE N . 25985 2 160 . 1 1 95 95 SER H H 1 9.078 . . 1 . 629 . . 280 SER H . 25985 2 161 . 1 1 95 95 SER N N 15 124.505 . . 1 . 630 . . 280 SER N . 25985 2 162 . 1 1 96 96 TRP H H 1 6.625 . . 1 . 121 . . 281 TRP H . 25985 2 163 . 1 1 96 96 TRP HE1 H 1 9.982 . . 1 . 2004 . . 281 TRP HE1 . 25985 2 164 . 1 1 96 96 TRP N N 15 115.107 . . 1 . 122 . . 281 TRP N . 25985 2 165 . 1 1 96 96 TRP NE1 N 15 128.824 . . 1 . 1996 . . 281 TRP NE1 . 25985 2 166 . 1 1 97 97 SER H H 1 8.549 . . 1 . 391 . . 282 SER H . 25985 2 167 . 1 1 97 97 SER N N 15 115.312 . . 1 . 292 . . 282 SER N . 25985 2 168 . 1 1 99 99 CYS H H 1 8.686 . . 1 . 2029 . . 284 CYS H . 25985 2 169 . 1 1 99 99 CYS N N 15 122.383 . . 1 . 2030 . . 284 CYS N . 25985 2 170 . 1 1 100 100 PHE H H 1 9.276 . . 1 . 242 . . 285 PHE H . 25985 2 171 . 1 1 100 100 PHE N N 15 114.927 . . 1 . 243 . . 285 PHE N . 25985 2 172 . 1 1 101 101 SER H H 1 10.856 . . 1 . 194 . . 286 SER H . 25985 2 173 . 1 1 101 101 SER N N 15 119.640 . . 1 . 195 . . 286 SER N . 25985 2 174 . 1 1 102 102 TRP H H 1 7.895 . . 1 . 2018 . . 287 TRP H . 25985 2 175 . 1 1 102 102 TRP HE1 H 1 10.180 . . 1 . 749 . . 287 TRP HE1 . 25985 2 176 . 1 1 102 102 TRP N N 15 118.214 . . 1 . 2019 . . 287 TRP N . 25985 2 177 . 1 1 102 102 TRP NE1 N 15 130.424 . . 1 . 752 . . 287 TRP NE1 . 25985 2 178 . 1 1 103 103 GLY H H 1 7.421 . . 1 . 156 . . 288 GLY H . 25985 2 179 . 1 1 103 103 GLY N N 15 106.212 . . 1 . 157 . . 288 GLY N . 25985 2 180 . 1 1 104 104 CYS H H 1 7.314 . . 1 . 51 . . 289 CYS H . 25985 2 181 . 1 1 104 104 CYS N N 15 120.440 . . 1 . 52 . . 289 CYS N . 25985 2 182 . 1 1 105 105 ALA H H 1 8.681 . . 1 . 258 . . 290 ALA H . 25985 2 183 . 1 1 105 105 ALA N N 15 119.658 . . 1 . 259 . . 290 ALA N . 25985 2 184 . 1 1 106 106 GLY H H 1 8.543 . . 1 . 238 . . 291 GLY H . 25985 2 185 . 1 1 106 106 GLY N N 15 103.909 . . 1 . 239 . . 291 GLY N . 25985 2 186 . 1 1 107 107 GLU H H 1 7.905 . . 1 . 2024 . . 292 GLU H . 25985 2 187 . 1 1 107 107 GLU N N 15 122.593 . . 1 . 2025 . . 292 GLU N . 25985 2 188 . 1 1 108 108 VAL H H 1 8.888 . . 1 . 33 . . 293 VAL H . 25985 2 189 . 1 1 108 108 VAL N N 15 121.936 . . 1 . 34 . . 293 VAL N . 25985 2 190 . 1 1 109 109 ARG H H 1 8.634 . . 1 . 214 . . 294 ARG H . 25985 2 191 . 1 1 109 109 ARG N N 15 120.641 . . 1 . 215 . . 294 ARG N . 25985 2 192 . 1 1 110 110 ALA H H 1 7.844 . . 1 . 285 . . 295 ALA H . 25985 2 193 . 1 1 110 110 ALA N N 15 120.719 . . 1 . 286 . . 295 ALA N . 25985 2 194 . 1 1 111 111 PHE H H 1 8.094 . . 1 . 149 . . 296 PHE H . 25985 2 195 . 1 1 111 111 PHE N N 15 118.999 . . 1 . 150 . . 296 PHE N . 25985 2 196 . 1 1 112 112 LEU H H 1 8.585 . . 1 . 1536 . . 297 LEU H . 25985 2 197 . 1 1 112 112 LEU N N 15 120.640 . . 1 . 1535 . . 297 LEU N . 25985 2 198 . 1 1 113 113 GLN H H 1 8.173 . . 1 . 244 . . 298 GLN H . 25985 2 199 . 1 1 113 113 GLN HE21 H 1 6.732 . . 1 . 1037 . . 298 GLN HE21 . 25985 2 200 . 1 1 113 113 GLN HE22 H 1 7.519 . . 1 . 1034 . . 298 GLN HE22 . 25985 2 201 . 1 1 113 113 GLN N N 15 117.765 . . 1 . 245 . . 298 GLN N . 25985 2 202 . 1 1 113 113 GLN NE2 N 15 110.924 0.005 . 1 . 1033 . . 298 GLN NE2 . 25985 2 203 . 1 1 114 114 GLU H H 1 7.441 . . 1 . 554 . . 299 GLU H . 25985 2 204 . 1 1 114 114 GLU N N 15 115.492 . . 1 . 555 . . 299 GLU N . 25985 2 205 . 1 1 115 115 ASN H H 1 7.582 . . 1 . 229 . . 300 ASN H . 25985 2 206 . 1 1 115 115 ASN N N 15 119.804 . . 1 . 230 . . 300 ASN N . 25985 2 207 . 1 1 116 116 THR H H 1 8.083 . . 1 . 273 . . 301 THR H . 25985 2 208 . 1 1 116 116 THR N N 15 111.069 . . 1 . 274 . . 301 THR N . 25985 2 209 . 1 1 117 117 HIS H H 1 9.396 . . 1 . 172 . . 302 HIS H . 25985 2 210 . 1 1 117 117 HIS N N 15 120.816 . . 1 . 173 . . 302 HIS N . 25985 2 211 . 1 1 118 118 VAL H H 1 7.427 . . 1 . 193 . . 303 VAL H . 25985 2 212 . 1 1 118 118 VAL N N 15 120.275 . . 1 . 672 . . 303 VAL N . 25985 2 213 . 1 1 119 119 ARG H H 1 8.821 . . 1 . 111 . . 304 ARG H . 25985 2 214 . 1 1 119 119 ARG N N 15 124.982 . . 1 . 112 . . 304 ARG N . 25985 2 215 . 1 1 120 120 LEU H H 1 9.285 . . 1 . 137 . . 305 LEU H . 25985 2 216 . 1 1 120 120 LEU N N 15 124.725 . . 1 . 138 . . 305 LEU N . 25985 2 217 . 1 1 121 121 ARG H H 1 8.982 . . 1 . 200 . . 306 ARG H . 25985 2 218 . 1 1 121 121 ARG N N 15 127.440 . . 1 . 201 . . 306 ARG N . 25985 2 219 . 1 1 122 122 ILE H H 1 8.929 . . 1 . 210 . . 307 ILE H . 25985 2 220 . 1 1 122 122 ILE N N 15 123.363 . . 1 . 211 . . 307 ILE N . 25985 2 221 . 1 1 123 123 PHE H H 1 9.286 . . 1 . 35 . . 308 PHE H . 25985 2 222 . 1 1 123 123 PHE N N 15 126.454 . . 1 . 36 . . 308 PHE N . 25985 2 223 . 1 1 125 125 ALA H H 1 9.080 . . 1 . 427 . . 310 ALA H . 25985 2 224 . 1 1 125 125 ALA N N 15 126.230 . . 1 . 428 . . 310 ALA N . 25985 2 225 . 1 1 126 126 ARG H H 1 6.625 . . 1 . 289 . . 311 ARG H . 25985 2 226 . 1 1 126 126 ARG N N 15 108.090 . . 1 . 1179 . . 311 ARG N . 25985 2 227 . 1 1 128 128 TYR H H 1 8.800 . . 1 . 571 . . 313 TYR H . 25985 2 228 . 1 1 128 128 TYR N N 15 130.037 . . 1 . 235 . . 313 TYR N . 25985 2 229 . 1 1 129 129 ASP H H 1 8.021 . . 1 . 189 . . 314 ASP H . 25985 2 230 . 1 1 129 129 ASP N N 15 123.609 . . 1 . 190 . . 314 ASP N . 25985 2 231 . 1 1 130 130 TYR H H 1 6.372 . . 1 . 236 . . 315 TYR H . 25985 2 232 . 1 1 130 130 TYR N N 15 117.051 . . 1 . 237 . . 315 TYR N . 25985 2 233 . 1 1 131 131 ASP H H 1 6.927 . . 1 . 75 . . 316 ASP H . 25985 2 234 . 1 1 131 131 ASP N N 15 116.912 . . 1 . 76 . . 316 ASP N . 25985 2 235 . 1 1 133 133 LEU H H 1 8.425 . . 1 . 15 . . 318 LEU H . 25985 2 236 . 1 1 133 133 LEU N N 15 120.317 . . 1 . 16 . . 318 LEU N . 25985 2 237 . 1 1 134 134 TYR H H 1 7.976 . . 1 . 139 . . 319 TYR H . 25985 2 238 . 1 1 134 134 TYR N N 15 117.543 . . 1 . 140 . . 319 TYR N . 25985 2 239 . 1 1 135 135 LYS H H 1 7.472 . . 1 . 23 . . 320 LYS H . 25985 2 240 . 1 1 135 135 LYS N N 15 122.041 . . 1 . 24 . . 320 LYS N . 25985 2 241 . 1 1 136 136 GLU H H 1 8.815 . . 1 . 468 . . 321 GLU H . 25985 2 242 . 1 1 136 136 GLU N N 15 121.984 . . 1 . 469 . . 321 GLU N . 25985 2 243 . 1 1 137 137 ALA H H 1 7.708 . . 1 . 464 . . 322 ALA H . 25985 2 244 . 1 1 137 137 ALA N N 15 119.856 . . 1 . 465 . . 322 ALA N . 25985 2 245 . 1 1 138 138 LEU H H 1 7.165 . . 1 . 63 . . 323 LEU H . 25985 2 246 . 1 1 138 138 LEU N N 15 116.354 . . 1 . 64 . . 323 LEU N . 25985 2 247 . 1 1 139 139 GLN H H 1 8.425 . . 1 . 1576 . . 324 GLN H . 25985 2 248 . 1 1 139 139 GLN HE21 H 1 6.722 . . 1 . 1040 . . 324 GLN HE21 . 25985 2 249 . 1 1 139 139 GLN HE22 H 1 7.377 . . 1 . 1039 . . 324 GLN HE22 . 25985 2 250 . 1 1 139 139 GLN N N 15 117.493 . . 1 . 1575 . . 324 GLN N . 25985 2 251 . 1 1 139 139 GLN NE2 N 15 109.137 0.005 . 1 . 1038 . . 324 GLN NE2 . 25985 2 252 . 1 1 140 140 MET H H 1 8.196 . . 1 . 1585 . . 325 MET H . 25985 2 253 . 1 1 140 140 MET N N 15 118.633 . . 1 . 1586 . . 325 MET N . 25985 2 254 . 1 1 142 142 ARG H H 1 7.968 . . 1 . 1592 . . 327 ARG H . 25985 2 255 . 1 1 142 142 ARG N N 15 121.304 . . 1 . 1593 . . 327 ARG N . 25985 2 256 . 1 1 143 143 ASP H H 1 8.899 . . 1 . 103 . . 328 ASP H . 25985 2 257 . 1 1 143 143 ASP N N 15 122.709 . . 1 . 104 . . 328 ASP N . 25985 2 258 . 1 1 144 144 ALA H H 1 7.710 . . 1 . 212 . . 329 ALA H . 25985 2 259 . 1 1 144 144 ALA N N 15 120.138 . . 1 . 213 . . 329 ALA N . 25985 2 260 . 1 1 145 145 GLY H H 1 7.960 . . 1 . 21 . . 330 GLY H . 25985 2 261 . 1 1 145 145 GLY N N 15 105.125 . . 1 . 22 . . 330 GLY N . 25985 2 262 . 1 1 146 146 ALA H H 1 8.035 . . 1 . 198 . . 331 ALA H . 25985 2 263 . 1 1 146 146 ALA N N 15 124.304 . . 1 . 199 . . 331 ALA N . 25985 2 264 . 1 1 147 147 GLN H H 1 7.970 . . 1 . 1018 . . 332 GLN H . 25985 2 265 . 1 1 147 147 GLN HE21 H 1 7.353 . . 1 . 1397 . . 332 GLN HE21 . 25985 2 266 . 1 1 147 147 GLN HE22 H 1 6.702 . . 1 . 1396 . . 332 GLN HE22 . 25985 2 267 . 1 1 147 147 GLN N N 15 122.425 . . 1 . 164 . . 332 GLN N . 25985 2 268 . 1 1 147 147 GLN NE2 N 15 111.554 0.01 . 1 . 1395 . . 332 GLN NE2 . 25985 2 269 . 1 1 148 148 VAL H H 1 8.631 . . 1 . 183 . . 333 VAL H . 25985 2 270 . 1 1 148 148 VAL N N 15 127.711 . . 1 . 184 . . 333 VAL N . 25985 2 271 . 1 1 149 149 SER H H 1 8.683 . . 1 . 418 . . 334 SER H . 25985 2 272 . 1 1 149 149 SER N N 15 120.698 . . 1 . 419 . . 334 SER N . 25985 2 273 . 1 1 150 150 ILE H H 1 8.635 . . 1 . 1162 . . 335 ILE H . 25985 2 274 . 1 1 150 150 ILE N N 15 123.101 . . 1 . 153 . . 335 ILE N . 25985 2 275 . 1 1 151 151 MET H H 1 8.308 . . 1 . 202 . . 336 MET H . 25985 2 276 . 1 1 151 151 MET N N 15 123.844 . . 1 . 203 . . 336 MET N . 25985 2 277 . 1 1 152 152 THR H H 1 9.551 . . 1 . 151 . . 337 THR H . 25985 2 278 . 1 1 152 152 THR N N 15 117.835 . . 1 . 152 . . 337 THR N . 25985 2 279 . 1 1 153 153 TYR H H 1 9.719 . . 1 . 145 . . 338 TYR H . 25985 2 280 . 1 1 153 153 TYR N N 15 121.684 . . 1 . 146 . . 338 TYR N . 25985 2 281 . 1 1 154 154 ASP H H 1 8.188 . . 1 . 281 . . 339 ASP H . 25985 2 282 . 1 1 154 154 ASP N N 15 114.944 . . 1 . 282 . . 339 ASP N . 25985 2 283 . 1 1 155 155 GLU H H 1 7.426 . . 1 . 165 . . 340 GLU H . 25985 2 284 . 1 1 155 155 GLU N N 15 117.212 . . 1 . 166 . . 340 GLU N . 25985 2 285 . 1 1 156 156 PHE H H 1 7.954 . . 1 . 123 . . 341 PHE H . 25985 2 286 . 1 1 156 156 PHE N N 15 119.718 . . 1 . 124 . . 341 PHE N . 25985 2 287 . 1 1 157 157 GLU H H 1 8.222 . . 1 . 65 . . 342 GLU H . 25985 2 288 . 1 1 157 157 GLU N N 15 118.553 . . 1 . 66 . . 342 GLU N . 25985 2 289 . 1 1 158 158 TYR H H 1 7.385 . . 1 . 1124 . . 343 TYR H . 25985 2 290 . 1 1 158 158 TYR N N 15 115.871 . . 1 . 1125 . . 343 TYR N . 25985 2 291 . 1 1 159 159 CYS H H 1 7.893 . . 1 . 67 . . 344 CYS H . 25985 2 292 . 1 1 159 159 CYS N N 15 118.588 . . 1 . 68 . . 344 CYS N . 25985 2 293 . 1 1 160 160 TRP H H 1 7.855 . . 1 . 557 . . 345 TRP H . 25985 2 294 . 1 1 160 160 TRP HE1 H 1 10.142 . . 1 . 753 . . 345 TRP HE1 . 25985 2 295 . 1 1 160 160 TRP N N 15 122.762 . . 1 . 558 . . 345 TRP N . 25985 2 296 . 1 1 160 160 TRP NE1 N 15 131.481 . . 1 . 756 . . 345 TRP NE1 . 25985 2 297 . 1 1 161 161 ASP H H 1 8.005 . . 1 . 267 . . 346 ASP H . 25985 2 298 . 1 1 161 161 ASP N N 15 113.412 . . 1 . 268 . . 346 ASP N . 25985 2 299 . 1 1 162 162 THR H H 1 7.429 . . 1 . 610 . . 347 THR H . 25985 2 300 . 1 1 162 162 THR N N 15 115.014 . . 1 . 611 . . 347 THR N . 25985 2 301 . 1 1 163 163 PHE H H 1 8.251 . . 1 . 801 . . 348 PHE H . 25985 2 302 . 1 1 163 163 PHE N N 15 114.655 . . 1 . 802 . . 348 PHE N . 25985 2 303 . 1 1 164 164 VAL H H 1 6.518 . . 1 . 1098 . . 349 VAL H . 25985 2 304 . 1 1 164 164 VAL N N 15 118.167 . . 1 . 1099 . . 349 VAL N . 25985 2 305 . 1 1 165 165 TYR H H 1 8.724 . . 1 . 1111 . . 350 TYR H . 25985 2 306 . 1 1 165 165 TYR N N 15 128.485 . . 1 . 1439 . . 350 TYR N . 25985 2 307 . 1 1 166 166 ARG H H 1 7.539 . . 1 . 2015 . . 351 ARG H . 25985 2 308 . 1 1 166 166 ARG N N 15 114.844 . . 1 . 2016 . . 351 ARG N . 25985 2 309 . 1 1 168 168 GLY H H 1 8.253 . . 1 . 97 . . 353 GLY H . 25985 2 310 . 1 1 168 168 GLY N N 15 105.509 . . 1 . 98 . . 353 GLY N . 25985 2 311 . 1 1 169 169 CYS H H 1 7.711 . . 1 . 231 . . 354 CYS H . 25985 2 312 . 1 1 169 169 CYS N N 15 121.255 . . 1 . 232 . . 354 CYS N . 25985 2 313 . 1 1 171 171 PHE H H 1 9.180 . . 1 . 57 . . 356 PHE H . 25985 2 314 . 1 1 171 171 PHE N N 15 121.875 . . 1 . 58 . . 356 PHE N . 25985 2 315 . 1 1 172 172 GLN H H 1 7.112 . . 1 . 59 . . 357 GLN H . 25985 2 316 . 1 1 172 172 GLN HE21 H 1 6.798 . . 1 . 1045 . . 357 GLN HE21 . 25985 2 317 . 1 1 172 172 GLN HE22 H 1 7.316 . . 1 . 1043 . . 357 GLN HE22 . 25985 2 318 . 1 1 172 172 GLN N N 15 128.613 . . 1 . 60 . . 357 GLN N . 25985 2 319 . 1 1 172 172 GLN NE2 N 15 112.604 0.007 . 1 . 1044 . . 357 GLN NE2 . 25985 2 320 . 1 1 174 174 TRP H H 1 5.504 . . 1 . 392 . . 359 TRP H . 25985 2 321 . 1 1 174 174 TRP HE1 H 1 10.096 . . 1 . 898 . . 359 TRP HE1 . 25985 2 322 . 1 1 174 174 TRP N N 15 117.460 . . 1 . 394 . . 359 TRP N . 25985 2 323 . 1 1 174 174 TRP NE1 N 15 129.326 . . 1 . 1606 . . 359 TRP NE1 . 25985 2 324 . 1 1 175 175 ASP H H 1 8.803 . . 1 . 405 . . 360 ASP H . 25985 2 325 . 1 1 175 175 ASP N N 15 121.786 . . 1 . 407 . . 360 ASP N . 25985 2 326 . 1 1 176 176 GLY H H 1 8.989 . . 1 . 109 . . 361 GLY H . 25985 2 327 . 1 1 176 176 GLY N N 15 112.201 . . 1 . 110 . . 361 GLY N . 25985 2 328 . 1 1 177 177 LEU H H 1 7.117 . . 1 . 277 . . 362 LEU H . 25985 2 329 . 1 1 177 177 LEU N N 15 121.086 . . 1 . 278 . . 362 LEU N . 25985 2 330 . 1 1 178 178 GLU H H 1 9.355 . . 1 . 13 . . 363 GLU H . 25985 2 331 . 1 1 178 178 GLU N N 15 120.338 . . 1 . 14 . . 363 GLU N . 25985 2 332 . 1 1 179 179 GLU H H 1 8.331 . . 1 . 2031 . . 364 GLU H . 25985 2 333 . 1 1 179 179 GLU N N 15 122.412 . . 1 . 2032 . . 364 GLU N . 25985 2 334 . 1 1 181 181 SER H H 1 8.593 . . 1 . 254 . . 366 SER H . 25985 2 335 . 1 1 181 181 SER N N 15 115.925 . . 1 . 255 . . 366 SER N . 25985 2 336 . 1 1 182 182 GLN H H 1 8.650 . . 1 . 176 . . 367 GLN H . 25985 2 337 . 1 1 182 182 GLN HE21 H 1 7.646 . . 1 . 1390 . . 367 GLN HE21 . 25985 2 338 . 1 1 182 182 GLN HE22 H 1 6.866 . . 1 . 1389 . . 367 GLN HE22 . 25985 2 339 . 1 1 182 182 GLN N N 15 122.417 . . 1 . 1385 . . 367 GLN N . 25985 2 340 . 1 1 182 182 GLN NE2 N 15 111.784 0.001 . 1 . 1393 . . 367 GLN NE2 . 25985 2 341 . 1 1 183 183 ALA H H 1 8.260 . . 1 . 854 . . 368 ALA H . 25985 2 342 . 1 1 183 183 ALA N N 15 124.627 . . 1 . 77 . . 368 ALA N . 25985 2 343 . 1 1 184 184 LEU H H 1 8.675 . . 1 . 1232 . . 369 LEU H . 25985 2 344 . 1 1 184 184 LEU N N 15 120.589 . . 1 . 1428 . . 369 LEU N . 25985 2 345 . 1 1 185 185 SER H H 1 8.852 . . 1 . 1 . . 370 SER H . 25985 2 346 . 1 1 185 185 SER N N 15 116.937 . . 1 . 2 . . 370 SER N . 25985 2 347 . 1 1 186 186 GLY H H 1 8.201 . . 1 . 3 . . 371 GLY H . 25985 2 348 . 1 1 186 186 GLY N N 15 110.271 . . 1 . 4 . . 371 GLY N . 25985 2 349 . 1 1 187 187 ARG H H 1 7.847 . . 1 . 275 . . 372 ARG H . 25985 2 350 . 1 1 187 187 ARG N N 15 123.035 . . 1 . 276 . . 372 ARG N . 25985 2 351 . 1 1 188 188 LEU H H 1 8.765 . . 1 . 1422 . . 373 LEU H . 25985 2 352 . 1 1 188 188 LEU N N 15 119.836 . . 1 . 1423 . . 373 LEU N . 25985 2 353 . 1 1 189 189 ARG H H 1 8.221 . . 1 . 84 . . 374 ARG H . 25985 2 354 . 1 1 189 189 ARG N N 15 118.754 . . 1 . 85 . . 374 ARG N . 25985 2 355 . 1 1 190 190 ALA H H 1 7.384 . . 1 . 117 . . 375 ALA H . 25985 2 356 . 1 1 190 190 ALA N N 15 119.354 . . 1 . 118 . . 375 ALA N . 25985 2 357 . 1 1 191 191 ILE N N 15 118.930 . . 1 . 272 . . 376 ILE N . 25985 2 358 . 1 1 192 192 LEU H H 1 8.303 . . 1 . 95 . . 377 LEU H . 25985 2 359 . 1 1 192 192 LEU N N 15 116.326 . . 1 . 96 . . 377 LEU N . 25985 2 360 . 1 1 193 193 GLN H H 1 7.959 . . 1 . 17 . . 378 GLN H . 25985 2 361 . 1 1 193 193 GLN N N 15 118.443 . . 1 . 18 . . 378 GLN N . 25985 2 362 . 1 1 194 194 ASN H H 1 8.108 . . 1 . 218 . . 379 ASN H . 25985 2 363 . 1 1 194 194 ASN HD21 H 1 6.921 . . 1 . 1049 . . 379 ASN HD21 . 25985 2 364 . 1 1 194 194 ASN HD22 H 1 7.585 . . 1 . 1048 . . 379 ASN HD22 . 25985 2 365 . 1 1 194 194 ASN N N 15 118.694 . . 1 . 219 . . 379 ASN N . 25985 2 366 . 1 1 194 194 ASN ND2 N 15 112.899 0.007 . 1 . 1050 . . 379 ASN ND2 . 25985 2 367 . 1 1 195 195 GLN H H 1 8.505 . . 1 . 125 . . 380 GLN H . 25985 2 368 . 1 1 195 195 GLN HE21 H 1 6.851 . . 1 . 1069 . . 380 GLN HE21 . 25985 2 369 . 1 1 195 195 GLN HE22 H 1 7.498 . . 1 . 1068 . . 380 GLN HE22 . 25985 2 370 . 1 1 195 195 GLN N N 15 120.841 . . 1 . 126 . . 380 GLN N . 25985 2 371 . 1 1 195 195 GLN NE2 N 15 112.214 0.004 . 1 . 1067 . . 380 GLN NE2 . 25985 2 372 . 1 1 196 196 GLY H H 1 8.445 . . 1 . 256 . . 381 GLY H . 25985 2 373 . 1 1 196 196 GLY N N 15 109.610 . . 1 . 257 . . 381 GLY N . 25985 2 374 . 1 1 197 197 ASN H H 1 8.358 . . 1 . 29 . . 382 ASN H . 25985 2 375 . 1 1 197 197 ASN HD21 H 1 6.892 . . 1 . 1052 . . 382 ASN HD21 . 25985 2 376 . 1 1 197 197 ASN HD22 H 1 7.604 . . 1 . 1051 . . 382 ASN HD22 . 25985 2 377 . 1 1 197 197 ASN N N 15 118.625 . . 1 . 30 . . 382 ASN N . 25985 2 378 . 1 1 197 197 ASN ND2 N 15 112.710 0.007 . 1 . 1053 . . 382 ASN ND2 . 25985 2 379 . 1 1 198 198 LEU H H 1 8.261 . . 1 . 2035 . . 383 LEU H . 25985 2 380 . 1 1 198 198 LEU N N 15 122.451 . . 1 . 2036 . . 383 LEU N . 25985 2 381 . 1 1 199 199 GLU H H 1 8.314 . . 1 . 167 . . 384 GLU H . 25985 2 382 . 1 1 199 199 GLU N N 15 121.075 . . 1 . 168 . . 384 GLU N . 25985 2 383 . 1 1 200 200 HIS H H 1 8.458 . . 1 . 262 . . 385 HIS H . 25985 2 384 . 1 1 200 200 HIS N N 15 119.293 . . 1 . 263 . . 385 HIS N . 25985 2 385 . 1 1 204 204 HIS H H 1 8.219 . . 1 . 264 . . 389 HIS H . 25985 2 386 . 1 1 204 204 HIS N N 15 119.965 . . 1 . 265 . . 389 HIS N . 25985 2 387 . 1 1 205 205 HIS H H 1 8.035 . . 1 . 107 . . 390 HIS H . 25985 2 388 . 1 1 205 205 HIS N N 15 125.611 . . 1 . 108 . . 390 HIS N . 25985 2 stop_ save_