data_25893 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 25893 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1' . . 25893 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1' 25893 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 25888 'F1F2-DNA complex' . 25893 1 1 25889 'F1F2 free' . 25893 1 1 25890 'DNA free' . 25893 1 1 25891 'F1F2F3-DNA complex' . 25893 1 1 25892 'F1F2F3 free' . 25893 1 1 25893 'F3 free' . 25893 1 1 25894 'F1F2F3-WGR-DNA complex' . 25893 1 1 25895 'WGR free' . 25893 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25893 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for PARP-1 F3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-08 _Entry.Accession_date 2015-10-14 _Entry.Last_release_date 2015-11-25 _Entry.Original_release_date 2015-11-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 David Neuhaus . . . . 25893 2 Sebastian Eustermann . . . . 25893 3 Ji-Chun Yang . . . . 25893 4 Wing-Fung Wu . . . . 25893 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' . 25893 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN/DNA . 25893 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25893 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 545 25893 '15N chemical shifts' 162 25893 '1H chemical shifts' 1094 25893 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 3 . . 2016-10-07 2015-11-11 update author 'update entry title, etc.' 25893 2 . . 2016-07-22 2015-11-11 update BMRB 'update entry citation' 25893 1 . . 2015-11-25 2015-11-11 original author 'original release' 25893 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25888 'F1F2-DNA complex' 25893 BMRB 25889 'F1F2 free' 25893 BMRB 25890 'DNA free' 25893 BMRB 25891 'F1F2F3-DNA complex' 25893 BMRB 25892 'F1F2F3 free' 25893 BMRB 25894 'F1F2F3-WGR-DNA complex' 25893 BMRB 25895 'WGR free' 25893 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25893 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.molcel.2015.10.032 _Citation.PubMed_ID 26626479 _Citation.Full_citation . _Citation.Title ; Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 5 _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 742 _Citation.Page_last 754 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastian Eustermann . . . . 25893 1 2 Wing-Fung Wu . . . . 25893 1 3 Marie-France Langelier . . . . 25893 1 4 Ji-Chun Yang . . . . 25893 1 5 Laura Easton . E. . . 25893 1 6 Amanda Riccio . . . . 25893 1 7 John Pascal . M. . . 25893 1 8 David Neuhaus . . . . 25893 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_f3_free _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_f3_free _Assembly.Entry_ID 25893 _Assembly.ID 1 _Assembly.Name PARP-1_F3 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PARP-1_215-362 1 $PARP-1_215-362 A . yes native no no . . . 25893 1 2 ZN3 2 $entity_ZN A . no native no no . . . 25893 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 PARP-1_215-362 1 CYS 86 86 SG . 2 ZN3 2 ZN 1 1 ZN . PARP-1_1-362 295 CYS SG . ZN3 . . ZN 25893 1 2 'metal coordination' single . 1 PARP-1_215-362 1 CYS 89 89 SG . 2 ZN3 2 ZN 1 1 ZN . PARP-1_1-362 298 CYS SG . ZN3 . . ZN 25893 1 3 'metal coordination' single . 1 PARP-1_215-362 1 CYS 102 102 SG . 2 ZN3 2 ZN 1 1 ZN . PARP-1_1-362 311 CYS SG . ZN3 . . ZN 25893 1 4 'metal coordination' single . 1 PARP-1_215-362 1 CYS 112 112 SG . 2 ZN3 2 ZN 1 1 ZN . PARP-1_1-362 321 CYS SG . ZN3 . . ZN 25893 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PARP-1_215-362 _Entity.Sf_category entity _Entity.Sf_framecode PARP-1_215-362 _Entity.Entry_ID 25893 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PARP-1_215-362 _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 ; GPLGSGVDEVAKKKSKKEKD KDSKLEKALKAQNDLIWNIK DELKKVCSTNDLKELLIFNK QQVPSGESAILDRVADGMVF GALLPCEECSGQLVFKSDAY YCTGDVTAWTKCMVKTQTPN RKEWVTPKEFREISYLKKLK VKKQDRIFPPETSNSSGRIV TD ; _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 1 _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 210 GLY . 25893 1 2 211 PRO . 25893 1 3 212 LEU . 25893 1 4 213 GLY . 25893 1 5 214 SER . 25893 1 6 215 GLY . 25893 1 7 216 VAL . 25893 1 8 217 ASP . 25893 1 9 218 GLU . 25893 1 10 219 VAL . 25893 1 11 220 ALA . 25893 1 12 221 LYS . 25893 1 13 222 LYS . 25893 1 14 223 LYS . 25893 1 15 224 SER . 25893 1 16 225 LYS . 25893 1 17 226 LYS . 25893 1 18 227 GLU . 25893 1 19 228 LYS . 25893 1 20 229 ASP . 25893 1 21 230 LYS . 25893 1 22 231 ASP . 25893 1 23 232 SER . 25893 1 24 233 LYS . 25893 1 25 234 LEU . 25893 1 26 235 GLU . 25893 1 27 236 LYS . 25893 1 28 237 ALA . 25893 1 29 238 LEU . 25893 1 30 239 LYS . 25893 1 31 240 ALA . 25893 1 32 241 GLN . 25893 1 33 242 ASN . 25893 1 34 243 ASP . 25893 1 35 244 LEU . 25893 1 36 245 ILE . 25893 1 37 246 TRP . 25893 1 38 247 ASN . 25893 1 39 248 ILE . 25893 1 40 249 LYS . 25893 1 41 250 ASP . 25893 1 42 251 GLU . 25893 1 43 252 LEU . 25893 1 44 253 LYS . 25893 1 45 254 LYS . 25893 1 46 255 VAL . 25893 1 47 256 CYS . 25893 1 48 257 SER . 25893 1 49 258 THR . 25893 1 50 259 ASN . 25893 1 51 260 ASP . 25893 1 52 261 LEU . 25893 1 53 262 LYS . 25893 1 54 263 GLU . 25893 1 55 264 LEU . 25893 1 56 265 LEU . 25893 1 57 266 ILE . 25893 1 58 267 PHE . 25893 1 59 268 ASN . 25893 1 60 269 LYS . 25893 1 61 270 GLN . 25893 1 62 271 GLN . 25893 1 63 272 VAL . 25893 1 64 273 PRO . 25893 1 65 274 SER . 25893 1 66 275 GLY . 25893 1 67 276 GLU . 25893 1 68 277 SER . 25893 1 69 278 ALA . 25893 1 70 279 ILE . 25893 1 71 280 LEU . 25893 1 72 281 ASP . 25893 1 73 282 ARG . 25893 1 74 283 VAL . 25893 1 75 284 ALA . 25893 1 76 285 ASP . 25893 1 77 286 GLY . 25893 1 78 287 MET . 25893 1 79 288 VAL . 25893 1 80 289 PHE . 25893 1 81 290 GLY . 25893 1 82 291 ALA . 25893 1 83 292 LEU . 25893 1 84 293 LEU . 25893 1 85 294 PRO . 25893 1 86 295 CYS . 25893 1 87 296 GLU . 25893 1 88 297 GLU . 25893 1 89 298 CYS . 25893 1 90 299 SER . 25893 1 91 300 GLY . 25893 1 92 301 GLN . 25893 1 93 302 LEU . 25893 1 94 303 VAL . 25893 1 95 304 PHE . 25893 1 96 305 LYS . 25893 1 97 306 SER . 25893 1 98 307 ASP . 25893 1 99 308 ALA . 25893 1 100 309 TYR . 25893 1 101 310 TYR . 25893 1 102 311 CYS . 25893 1 103 312 THR . 25893 1 104 313 GLY . 25893 1 105 314 ASP . 25893 1 106 315 VAL . 25893 1 107 316 THR . 25893 1 108 317 ALA . 25893 1 109 318 TRP . 25893 1 110 319 THR . 25893 1 111 320 LYS . 25893 1 112 321 CYS . 25893 1 113 322 MET . 25893 1 114 323 VAL . 25893 1 115 324 LYS . 25893 1 116 325 THR . 25893 1 117 326 GLN . 25893 1 118 327 THR . 25893 1 119 328 PRO . 25893 1 120 329 ASN . 25893 1 121 330 ARG . 25893 1 122 331 LYS . 25893 1 123 332 GLU . 25893 1 124 333 TRP . 25893 1 125 334 VAL . 25893 1 126 335 THR . 25893 1 127 336 PRO . 25893 1 128 337 LYS . 25893 1 129 338 GLU . 25893 1 130 339 PHE . 25893 1 131 340 ARG . 25893 1 132 341 GLU . 25893 1 133 342 ILE . 25893 1 134 343 SER . 25893 1 135 344 TYR . 25893 1 136 345 LEU . 25893 1 137 346 LYS . 25893 1 138 347 LYS . 25893 1 139 348 LEU . 25893 1 140 349 LYS . 25893 1 141 350 VAL . 25893 1 142 351 LYS . 25893 1 143 352 LYS . 25893 1 144 353 GLN . 25893 1 145 354 ASP . 25893 1 146 355 ARG . 25893 1 147 356 ILE . 25893 1 148 357 PHE . 25893 1 149 358 PRO . 25893 1 150 359 PRO . 25893 1 151 360 GLU . 25893 1 152 361 THR . 25893 1 153 362 SER . 25893 1 154 363 ASN . 25893 1 155 364 SER . 25893 1 156 365 SER . 25893 1 157 366 GLY . 25893 1 158 367 ARG . 25893 1 159 368 ILE . 25893 1 160 369 VAL . 25893 1 161 370 THR . 25893 1 162 371 ASP . 25893 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 . GLY 1 1 25893 1 . PRO 2 2 25893 1 . LEU 3 3 25893 1 . GLY 4 4 25893 1 . SER 5 5 25893 1 . GLY 6 6 25893 1 . VAL 7 7 25893 1 . ASP 8 8 25893 1 . GLU 9 9 25893 1 . VAL 10 10 25893 1 . ALA 11 11 25893 1 . LYS 12 12 25893 1 . LYS 13 13 25893 1 . LYS 14 14 25893 1 . SER 15 15 25893 1 . LYS 16 16 25893 1 . LYS 17 17 25893 1 . GLU 18 18 25893 1 . LYS 19 19 25893 1 . ASP 20 20 25893 1 . LYS 21 21 25893 1 . ASP 22 22 25893 1 . SER 23 23 25893 1 . LYS 24 24 25893 1 . LEU 25 25 25893 1 . GLU 26 26 25893 1 . LYS 27 27 25893 1 . ALA 28 28 25893 1 . LEU 29 29 25893 1 . LYS 30 30 25893 1 . ALA 31 31 25893 1 . GLN 32 32 25893 1 . ASN 33 33 25893 1 . ASP 34 34 25893 1 . LEU 35 35 25893 1 . ILE 36 36 25893 1 . TRP 37 37 25893 1 . ASN 38 38 25893 1 . ILE 39 39 25893 1 . LYS 40 40 25893 1 . ASP 41 41 25893 1 . GLU 42 42 25893 1 . LEU 43 43 25893 1 . LYS 44 44 25893 1 . LYS 45 45 25893 1 . VAL 46 46 25893 1 . CYS 47 47 25893 1 . SER 48 48 25893 1 . THR 49 49 25893 1 . ASN 50 50 25893 1 . ASP 51 51 25893 1 . LEU 52 52 25893 1 . LYS 53 53 25893 1 . GLU 54 54 25893 1 . LEU 55 55 25893 1 . LEU 56 56 25893 1 . ILE 57 57 25893 1 . PHE 58 58 25893 1 . ASN 59 59 25893 1 . LYS 60 60 25893 1 . GLN 61 61 25893 1 . GLN 62 62 25893 1 . VAL 63 63 25893 1 . PRO 64 64 25893 1 . SER 65 65 25893 1 . GLY 66 66 25893 1 . GLU 67 67 25893 1 . SER 68 68 25893 1 . ALA 69 69 25893 1 . ILE 70 70 25893 1 . LEU 71 71 25893 1 . ASP 72 72 25893 1 . ARG 73 73 25893 1 . VAL 74 74 25893 1 . ALA 75 75 25893 1 . ASP 76 76 25893 1 . GLY 77 77 25893 1 . MET 78 78 25893 1 . VAL 79 79 25893 1 . PHE 80 80 25893 1 . GLY 81 81 25893 1 . ALA 82 82 25893 1 . LEU 83 83 25893 1 . LEU 84 84 25893 1 . PRO 85 85 25893 1 . CYS 86 86 25893 1 . GLU 87 87 25893 1 . GLU 88 88 25893 1 . CYS 89 89 25893 1 . SER 90 90 25893 1 . GLY 91 91 25893 1 . GLN 92 92 25893 1 . LEU 93 93 25893 1 . VAL 94 94 25893 1 . PHE 95 95 25893 1 . LYS 96 96 25893 1 . SER 97 97 25893 1 . ASP 98 98 25893 1 . ALA 99 99 25893 1 . TYR 100 100 25893 1 . TYR 101 101 25893 1 . CYS 102 102 25893 1 . THR 103 103 25893 1 . GLY 104 104 25893 1 . ASP 105 105 25893 1 . VAL 106 106 25893 1 . THR 107 107 25893 1 . ALA 108 108 25893 1 . TRP 109 109 25893 1 . THR 110 110 25893 1 . LYS 111 111 25893 1 . CYS 112 112 25893 1 . MET 113 113 25893 1 . VAL 114 114 25893 1 . LYS 115 115 25893 1 . THR 116 116 25893 1 . GLN 117 117 25893 1 . THR 118 118 25893 1 . PRO 119 119 25893 1 . ASN 120 120 25893 1 . ARG 121 121 25893 1 . LYS 122 122 25893 1 . GLU 123 123 25893 1 . TRP 124 124 25893 1 . VAL 125 125 25893 1 . THR 126 126 25893 1 . PRO 127 127 25893 1 . LYS 128 128 25893 1 . GLU 129 129 25893 1 . PHE 130 130 25893 1 . ARG 131 131 25893 1 . GLU 132 132 25893 1 . ILE 133 133 25893 1 . SER 134 134 25893 1 . TYR 135 135 25893 1 . LEU 136 136 25893 1 . LYS 137 137 25893 1 . LYS 138 138 25893 1 . LEU 139 139 25893 1 . LYS 140 140 25893 1 . VAL 141 141 25893 1 . LYS 142 142 25893 1 . LYS 143 143 25893 1 . GLN 144 144 25893 1 . ASP 145 145 25893 1 . ARG 146 146 25893 1 . ILE 147 147 25893 1 . PHE 148 148 25893 1 . PRO 149 149 25893 1 . PRO 150 150 25893 1 . GLU 151 151 25893 1 . THR 152 152 25893 1 . SER 153 153 25893 1 . ASN 154 154 25893 1 . SER 155 155 25893 1 . SER 156 156 25893 1 . GLY 157 157 25893 1 . ARG 158 158 25893 1 . ILE 159 159 25893 1 . VAL 160 160 25893 1 . THR 161 161 25893 1 . ASP 162 162 25893 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25893 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25893 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25893 2 ZN 'Three letter code' 25893 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 25893 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25893 _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 $PARP-1_215-362 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25893 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 25893 _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 $PARP-1_215-362 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21 DE3 . . . . Pet13 . . . 25893 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25893 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25893 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25893 ZN [Zn++] SMILES CACTVS 3.341 25893 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25893 ZN [Zn+2] SMILES ACDLabs 10.04 25893 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25893 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25893 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25893 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25893 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25893 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25893 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PARP-1 F3 free protein. Uniformly 13C,15N labelled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PARP-1_215-362 '[U-13C; U-15N]' . . 1 $PARP-1_215-362 . protein 0.2 . . mM . . . . 25893 1 2 TRIS [U-2H] . . . . . buffer 50 . . mM . . . . 25893 1 3 DTT [U-2H] . . . . . . 1 . . mM . . . . 25893 1 4 ZnSO4 'natural abundance' . . . . . . 0.1 . . mM . . . . 25893 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25893 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25893 1 7 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25893 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25893 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 25893 1 pH 7.2 . pH 25893 1 pressure 1 . atm 25893 1 temperature 303 . K 25893 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25893 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25893 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25893 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25893 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25893 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25893 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25893 _Software.ID 3 _Software.Name Analysis _Software.Version 2.4.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25893 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25893 3 'data analysis' 25893 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25893 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25893 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25893 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av800 _NMR_spectrometer.Entry_ID 25893 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance I' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_av700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av700 _NMR_spectrometer.Entry_ID 25893 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_dmx600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode dmx600 _NMR_spectrometer.Entry_ID 25893 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_drx500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode drx500 _NMR_spectrometer.Entry_ID 25893 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25893 _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 av800 Bruker 'Avance I' . 800 . . . 25893 1 2 av700 Bruker 'Avance II+' . 700 . . . 25893 1 3 dmx600 Bruker DMX . 600 . . . 25893 1 4 drx500 Bruker DRX . 500 . . . 25893 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 25893 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 3 '2D 1H-13C HSQC aliphatic (constant time)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 5 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 7 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 8 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 9 '3D 1H-13C NOESY-HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 10 '3D HC[C]H-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 1 11 '3D [H]CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $dmx600 . . . . . . . . . . . . . . . . 25893 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 25893 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 25893 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 25893 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 25893 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_free_F3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode free_F3 _Assigned_chem_shift_list.Entry_ID 25893 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25893 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 25893 1 3 '2D 1H-13C HSQC aliphatic (constant time)' 1 $sample_1 isotropic 25893 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25893 1 5 '3D CBCANH' 1 $sample_1 isotropic 25893 1 6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 25893 1 7 '3D HBHANH' 1 $sample_1 isotropic 25893 1 8 '3D 1H-15N NOESY-HSQC' 1 $sample_1 isotropic 25893 1 9 '3D 1H-13C NOESY-HSQC aliphatic' 1 $sample_1 isotropic 25893 1 10 '3D HC[C]H-TOCSY' 1 $sample_1 isotropic 25893 1 11 '3D [H]CCH-TOCSY' 1 $sample_1 isotropic 25893 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 GLY HA2 H 1 3.973 0.020 . 2 . . . . 210 Gly HA2 . 25893 1 2 . 1 1 1 1 GLY HA3 H 1 4.002 0.020 . 2 . . . . 210 Gly HA3 . 25893 1 3 . 1 1 1 1 GLY CA C 13 43.743 0.100 . 1 . . . . 210 Gly CA . 25893 1 4 . 1 1 2 2 PRO HA H 1 4.491 0.020 . 1 . . . . 211 Pro HA . 25893 1 5 . 1 1 2 2 PRO HB2 H 1 1.959 0.020 . 2 . . . . 211 Pro HB2 . 25893 1 6 . 1 1 2 2 PRO HB3 H 1 2.336 0.020 . 2 . . . . 211 Pro HB3 . 25893 1 7 . 1 1 2 2 PRO HD2 H 1 3.584 0.020 . 2 . . . . 211 Pro HD2 . 25893 1 8 . 1 1 2 2 PRO HD3 H 1 3.612 0.020 . 2 . . . . 211 Pro HD3 . 25893 1 9 . 1 1 2 2 PRO HG2 H 1 2.030 0.020 . 2 . . . . 211 Pro HG2 . 25893 1 10 . 1 1 2 2 PRO HG3 H 1 2.030 0.020 . 2 . . . . 211 Pro HG3 . 25893 1 11 . 1 1 2 2 PRO CA C 13 63.326 0.100 . 1 . . . . 211 Pro CA . 25893 1 12 . 1 1 2 2 PRO CB C 13 32.438 0.100 . 1 . . . . 211 Pro CB . 25893 1 13 . 1 1 2 2 PRO CD C 13 49.824 0.100 . 1 . . . . 211 Pro CD . 25893 1 14 . 1 1 2 2 PRO CG C 13 27.164 0.100 . 1 . . . . 211 Pro CG . 25893 1 15 . 1 1 3 3 LEU H H 1 8.513 0.020 . 1 . . . . 212 Leu HN . 25893 1 16 . 1 1 3 3 LEU HA H 1 4.371 0.020 . 1 . . . . 212 Leu HA . 25893 1 17 . 1 1 3 3 LEU HB2 H 1 1.622 0.020 . 2 . . . . 212 Leu HB2 . 25893 1 18 . 1 1 3 3 LEU HB3 H 1 1.710 0.020 . 2 . . . . 212 Leu HB3 . 25893 1 19 . 1 1 3 3 LEU HD11 H 1 0.907 0.020 . 2 . . . . 212 Leu HD1* . 25893 1 20 . 1 1 3 3 LEU HD12 H 1 0.907 0.020 . 2 . . . . 212 Leu HD1* . 25893 1 21 . 1 1 3 3 LEU HD13 H 1 0.907 0.020 . 2 . . . . 212 Leu HD1* . 25893 1 22 . 1 1 3 3 LEU HD21 H 1 0.947 0.020 . 2 . . . . 212 Leu HD2* . 25893 1 23 . 1 1 3 3 LEU HD22 H 1 0.947 0.020 . 2 . . . . 212 Leu HD2* . 25893 1 24 . 1 1 3 3 LEU HD23 H 1 0.947 0.020 . 2 . . . . 212 Leu HD2* . 25893 1 25 . 1 1 3 3 LEU CA C 13 55.593 0.100 . 1 . . . . 212 Leu CA . 25893 1 26 . 1 1 3 3 LEU CB C 13 42.334 0.100 . 1 . . . . 212 Leu CB . 25893 1 27 . 1 1 3 3 LEU CD1 C 13 23.585 0.100 . 2 . . . . 212 Leu CD1 . 25893 1 28 . 1 1 3 3 LEU CD2 C 13 25.015 0.100 . 2 . . . . 212 Leu CD2 . 25893 1 29 . 1 1 3 3 LEU CG C 13 27.037 0.100 . 1 . . . . 212 Leu CG . 25893 1 30 . 1 1 3 3 LEU N N 15 122.373 0.100 . 1 . . . . 212 Leu N . 25893 1 31 . 1 1 4 4 GLY H H 1 8.399 0.020 . 1 . . . . 213 Gly HN . 25893 1 32 . 1 1 4 4 GLY HA2 H 1 3.973 0.020 . 2 . . . . 213 Gly HA2 . 25893 1 33 . 1 1 4 4 GLY HA3 H 1 4.046 0.020 . 2 . . . . 213 Gly HA3 . 25893 1 34 . 1 1 4 4 GLY CA C 13 45.488 0.100 . 1 . . . . 213 Gly CA . 25893 1 35 . 1 1 4 4 GLY N N 15 110.116 0.100 . 1 . . . . 213 Gly N . 25893 1 36 . 1 1 5 5 SER H H 1 8.285 0.020 . 1 . . . . 214 Ser HN . 25893 1 37 . 1 1 5 5 SER HA H 1 4.487 0.020 . 1 . . . . 214 Ser HA . 25893 1 38 . 1 1 5 5 SER HB2 H 1 3.888 0.020 . 2 . . . . 214 Ser HB2 . 25893 1 39 . 1 1 5 5 SER HB3 H 1 3.927 0.020 . 2 . . . . 214 Ser HB3 . 25893 1 40 . 1 1 5 5 SER CA C 13 58.615 0.100 . 1 . . . . 214 Ser CA . 25893 1 41 . 1 1 5 5 SER CB C 13 64.151 0.100 . 1 . . . . 214 Ser CB . 25893 1 42 . 1 1 5 5 SER N N 15 115.823 0.100 . 1 . . . . 214 Ser N . 25893 1 43 . 1 1 6 6 GLY H H 1 8.556 0.020 . 1 . . . . 215 Gly HN . 25893 1 44 . 1 1 6 6 GLY HA2 H 1 4.011 0.020 . 2 . . . . 215 Gly HA2 . 25893 1 45 . 1 1 6 6 GLY HA3 H 1 4.011 0.020 . 2 . . . . 215 Gly HA3 . 25893 1 46 . 1 1 6 6 GLY CA C 13 45.662 0.100 . 1 . . . . 215 Gly CA . 25893 1 47 . 1 1 6 6 GLY N N 15 111.335 0.100 . 1 . . . . 215 Gly N . 25893 1 48 . 1 1 7 7 VAL H H 1 7.948 0.020 . 1 . . . . 216 Val HN . 25893 1 49 . 1 1 7 7 VAL HA H 1 4.128 0.020 . 1 . . . . 216 Val HA . 25893 1 50 . 1 1 7 7 VAL HB H 1 2.096 0.020 . 1 . . . . 216 Val HB . 25893 1 51 . 1 1 7 7 VAL HG11 H 1 0.917 0.020 . 2 . . . . 216 Val HG1* . 25893 1 52 . 1 1 7 7 VAL HG12 H 1 0.917 0.020 . 2 . . . . 216 Val HG1* . 25893 1 53 . 1 1 7 7 VAL HG13 H 1 0.917 0.020 . 2 . . . . 216 Val HG1* . 25893 1 54 . 1 1 7 7 VAL HG21 H 1 0.935 0.020 . 2 . . . . 216 Val HG2* . 25893 1 55 . 1 1 7 7 VAL HG22 H 1 0.935 0.020 . 2 . . . . 216 Val HG2* . 25893 1 56 . 1 1 7 7 VAL HG23 H 1 0.935 0.020 . 2 . . . . 216 Val HG2* . 25893 1 57 . 1 1 7 7 VAL CA C 13 62.545 0.100 . 1 . . . . 216 Val CA . 25893 1 58 . 1 1 7 7 VAL CB C 13 32.840 0.100 . 1 . . . . 216 Val CB . 25893 1 59 . 1 1 7 7 VAL CG1 C 13 20.412 0.100 . 2 . . . . 216 Val CG1 . 25893 1 60 . 1 1 7 7 VAL CG2 C 13 21.292 0.100 . 2 . . . . 216 Val CG2 . 25893 1 61 . 1 1 7 7 VAL N N 15 118.918 0.100 . 1 . . . . 216 Val N . 25893 1 62 . 1 1 8 8 ASP H H 1 8.372 0.020 . 1 . . . . 217 Asp HN . 25893 1 63 . 1 1 8 8 ASP HA H 1 4.615 0.020 . 1 . . . . 217 Asp HA . 25893 1 64 . 1 1 8 8 ASP HB2 H 1 2.615 0.020 . 2 . . . . 217 Asp HB2 . 25893 1 65 . 1 1 8 8 ASP HB3 H 1 2.726 0.020 . 2 . . . . 217 Asp HB3 . 25893 1 66 . 1 1 8 8 ASP CA C 13 54.597 0.100 . 1 . . . . 217 Asp CA . 25893 1 67 . 1 1 8 8 ASP CB C 13 41.267 0.100 . 1 . . . . 217 Asp CB . 25893 1 68 . 1 1 8 8 ASP N N 15 123.476 0.100 . 1 . . . . 217 Asp N . 25893 1 69 . 1 1 9 9 GLU H H 1 8.275 0.020 . 1 . . . . 218 Glu HN . 25893 1 70 . 1 1 9 9 GLU HA H 1 4.226 0.020 . 1 . . . . 218 Glu HA . 25893 1 71 . 1 1 9 9 GLU HB2 H 1 1.975 0.020 . 2 . . . . 218 Glu HB2 . 25893 1 72 . 1 1 9 9 GLU HB3 H 1 2.058 0.020 . 2 . . . . 218 Glu HB3 . 25893 1 73 . 1 1 9 9 GLU HG2 H 1 2.243 0.020 . 2 . . . . 218 Glu HG2 . 25893 1 74 . 1 1 9 9 GLU HG3 H 1 2.282 0.020 . 2 . . . . 218 Glu HG3 . 25893 1 75 . 1 1 9 9 GLU CA C 13 57.274 0.100 . 1 . . . . 218 Glu CA . 25893 1 76 . 1 1 9 9 GLU CB C 13 30.331 0.100 . 1 . . . . 218 Glu CB . 25893 1 77 . 1 1 9 9 GLU CG C 13 36.384 0.100 . 1 . . . . 218 Glu CG . 25893 1 78 . 1 1 9 9 GLU N N 15 121.619 0.100 . 1 . . . . 218 Glu N . 25893 1 79 . 1 1 10 10 VAL H H 1 8.057 0.020 . 1 . . . . 219 Val HN . 25893 1 80 . 1 1 10 10 VAL HA H 1 3.970 0.020 . 1 . . . . 219 Val HA . 25893 1 81 . 1 1 10 10 VAL HB H 1 2.114 0.020 . 1 . . . . 219 Val HB . 25893 1 82 . 1 1 10 10 VAL HG11 H 1 0.953 0.020 . 2 . . . . 219 Val HG1* . 25893 1 83 . 1 1 10 10 VAL HG12 H 1 0.953 0.020 . 2 . . . . 219 Val HG1* . 25893 1 84 . 1 1 10 10 VAL HG13 H 1 0.953 0.020 . 2 . . . . 219 Val HG1* . 25893 1 85 . 1 1 10 10 VAL HG21 H 1 0.984 0.020 . 2 . . . . 219 Val HG2* . 25893 1 86 . 1 1 10 10 VAL HG22 H 1 0.984 0.020 . 2 . . . . 219 Val HG2* . 25893 1 87 . 1 1 10 10 VAL HG23 H 1 0.984 0.020 . 2 . . . . 219 Val HG2* . 25893 1 88 . 1 1 10 10 VAL CA C 13 63.479 0.100 . 1 . . . . 219 Val CA . 25893 1 89 . 1 1 10 10 VAL CB C 13 32.394 0.100 . 1 . . . . 219 Val CB . 25893 1 90 . 1 1 10 10 VAL CG1 C 13 21.292 0.100 . 2 . . . . 219 Val CG1 . 25893 1 91 . 1 1 10 10 VAL CG2 C 13 21.223 0.100 . 2 . . . . 219 Val CG2 . 25893 1 92 . 1 1 10 10 VAL N N 15 120.879 0.100 . 1 . . . . 219 Val N . 25893 1 93 . 1 1 11 11 ALA H H 1 8.187 0.020 . 1 . . . . 220 Ala HN . 25893 1 94 . 1 1 11 11 ALA HA H 1 4.252 0.020 . 1 . . . . 220 Ala HA . 25893 1 95 . 1 1 11 11 ALA HB1 H 1 1.411 0.020 . 1 . . . . 220 Ala HB* . 25893 1 96 . 1 1 11 11 ALA HB2 H 1 1.411 0.020 . 1 . . . . 220 Ala HB* . 25893 1 97 . 1 1 11 11 ALA HB3 H 1 1.411 0.020 . 1 . . . . 220 Ala HB* . 25893 1 98 . 1 1 11 11 ALA CA C 13 53.182 0.100 . 1 . . . . 220 Ala CA . 25893 1 99 . 1 1 11 11 ALA CB C 13 19.100 0.100 . 1 . . . . 220 Ala CB . 25893 1 100 . 1 1 11 11 ALA N N 15 126.117 0.100 . 1 . . . . 220 Ala N . 25893 1 101 . 1 1 12 12 LYS H H 1 8.079 0.020 . 1 . . . . 221 Lys HN . 25893 1 102 . 1 1 12 12 LYS HA H 1 4.244 0.020 . 1 . . . . 221 Lys HA . 25893 1 103 . 1 1 12 12 LYS HB2 H 1 1.802 0.020 . 2 . . . . 221 Lys HB2 . 25893 1 104 . 1 1 12 12 LYS HB3 H 1 1.876 0.020 . 2 . . . . 221 Lys HB3 . 25893 1 105 . 1 1 12 12 LYS HD2 H 1 1.692 0.020 . 2 . . . . 221 Lys HD2 . 25893 1 106 . 1 1 12 12 LYS HD3 H 1 1.692 0.020 . 2 . . . . 221 Lys HD3 . 25893 1 107 . 1 1 12 12 LYS HE2 H 1 3.001 0.020 . 2 . . . . 221 Lys HE2 . 25893 1 108 . 1 1 12 12 LYS HE3 H 1 3.001 0.020 . 2 . . . . 221 Lys HE3 . 25893 1 109 . 1 1 12 12 LYS HG2 H 1 1.495 0.020 . 2 . . . . 221 Lys HG2 . 25893 1 110 . 1 1 12 12 LYS HG3 H 1 1.495 0.020 . 2 . . . . 221 Lys HG3 . 25893 1 111 . 1 1 12 12 LYS CA C 13 56.981 0.100 . 1 . . . . 221 Lys CA . 25893 1 112 . 1 1 12 12 LYS CB C 13 33.006 0.100 . 1 . . . . 221 Lys CB . 25893 1 113 . 1 1 12 12 LYS CD C 13 29.202 0.100 . 1 . . . . 221 Lys CD . 25893 1 114 . 1 1 12 12 LYS CE C 13 42.260 0.100 . 1 . . . . 221 Lys CE . 25893 1 115 . 1 1 12 12 LYS CG C 13 24.885 0.100 . 1 . . . . 221 Lys CG . 25893 1 116 . 1 1 12 12 LYS N N 15 120.014 0.100 . 1 . . . . 221 Lys N . 25893 1 117 . 1 1 13 13 LYS H H 1 8.134 0.020 . 1 . . . . 222 Lys HN . 25893 1 118 . 1 1 13 13 LYS HA H 1 4.280 0.020 . 1 . . . . 222 Lys HA . 25893 1 119 . 1 1 13 13 LYS HB2 H 1 1.842 0.020 . 2 . . . . 222 Lys HB2 . 25893 1 120 . 1 1 13 13 LYS CA C 13 56.857 0.100 . 1 . . . . 222 Lys CA . 25893 1 121 . 1 1 13 13 LYS CB C 13 33.002 0.100 . 1 . . . . 222 Lys CB . 25893 1 122 . 1 1 13 13 LYS N N 15 122.004 0.100 . 1 . . . . 222 Lys N . 25893 1 123 . 1 1 14 14 LYS H H 1 8.255 0.020 . 1 . . . . 223 Lys HN . 25893 1 124 . 1 1 14 14 LYS HA H 1 4.322 0.020 . 1 . . . . 223 Lys HA . 25893 1 125 . 1 1 14 14 LYS HB2 H 1 1.800 0.020 . 2 . . . . 223 Lys HB2 . 25893 1 126 . 1 1 14 14 LYS HB3 H 1 1.863 0.020 . 2 . . . . 223 Lys HB3 . 25893 1 127 . 1 1 14 14 LYS CA C 13 56.748 0.100 . 1 . . . . 223 Lys CA . 25893 1 128 . 1 1 14 14 LYS CB C 13 33.239 0.100 . 1 . . . . 223 Lys CB . 25893 1 129 . 1 1 14 14 LYS N N 15 122.535 0.100 . 1 . . . . 223 Lys N . 25893 1 130 . 1 1 15 15 SER H H 1 8.338 0.020 . 1 . . . . 224 Ser HN . 25893 1 131 . 1 1 15 15 SER HA H 1 4.447 0.020 . 1 . . . . 224 Ser HA . 25893 1 132 . 1 1 15 15 SER HB2 H 1 3.981 0.020 . 2 . . . . 224 Ser HB2 . 25893 1 133 . 1 1 15 15 SER CA C 13 58.409 0.100 . 1 . . . . 224 Ser CA . 25893 1 134 . 1 1 15 15 SER CB C 13 64.200 0.100 . 1 . . . . 224 Ser CB . 25893 1 135 . 1 1 15 15 SER N N 15 117.385 0.100 . 1 . . . . 224 Ser N . 25893 1 136 . 1 1 16 16 LYS HA H 1 4.278 0.020 . 1 . . . . 225 Lys HA . 25893 1 137 . 1 1 16 16 LYS HB2 H 1 1.824 0.020 . 2 . . . . 225 Lys HB2 . 25893 1 138 . 1 1 16 16 LYS CA C 13 57.154 0.100 . 1 . . . . 225 Lys CA . 25893 1 139 . 1 1 16 16 LYS CB C 13 33.023 0.100 . 1 . . . . 225 Lys CB . 25893 1 140 . 1 1 17 17 LYS H H 1 8.288 0.020 . 1 . . . . 226 Lys HN . 25893 1 141 . 1 1 17 17 LYS HA H 1 4.275 0.020 . 1 . . . . 226 Lys HA . 25893 1 142 . 1 1 17 17 LYS HB2 H 1 1.832 0.020 . 2 . . . . 226 Lys HB2 . 25893 1 143 . 1 1 17 17 LYS HB3 H 1 1.888 0.020 . 2 . . . . 226 Lys HB3 . 25893 1 144 . 1 1 17 17 LYS CA C 13 57.212 0.100 . 1 . . . . 226 Lys CA . 25893 1 145 . 1 1 17 17 LYS CB C 13 33.016 0.100 . 1 . . . . 226 Lys CB . 25893 1 146 . 1 1 17 17 LYS N N 15 122.091 0.100 . 1 . . . . 226 Lys N . 25893 1 147 . 1 1 18 18 GLU H H 1 8.264 0.020 . 1 . . . . 227 Glu HN . 25893 1 148 . 1 1 18 18 GLU HA H 1 4.263 0.020 . 1 . . . . 227 Glu HA . 25893 1 149 . 1 1 18 18 GLU HB2 H 1 1.980 0.020 . 2 . . . . 227 Glu HB2 . 25893 1 150 . 1 1 18 18 GLU HB3 H 1 2.047 0.020 . 2 . . . . 227 Glu HB3 . 25893 1 151 . 1 1 18 18 GLU CA C 13 57.146 0.100 . 1 . . . . 227 Glu CA . 25893 1 152 . 1 1 18 18 GLU CB C 13 30.388 0.100 . 1 . . . . 227 Glu CB . 25893 1 153 . 1 1 18 18 GLU N N 15 121.851 0.100 . 1 . . . . 227 Glu N . 25893 1 154 . 1 1 19 19 LYS H H 1 8.341 0.020 . 1 . . . . 228 Lys HN . 25893 1 155 . 1 1 19 19 LYS HA H 1 4.241 0.020 . 1 . . . . 228 Lys HA . 25893 1 156 . 1 1 19 19 LYS HB2 H 1 1.850 0.020 . 2 . . . . 228 Lys HB2 . 25893 1 157 . 1 1 19 19 LYS CA C 13 57.269 0.100 . 1 . . . . 228 Lys CA . 25893 1 158 . 1 1 19 19 LYS CB C 13 32.930 0.100 . 1 . . . . 228 Lys CB . 25893 1 159 . 1 1 19 19 LYS N N 15 121.838 0.100 . 1 . . . . 228 Lys N . 25893 1 160 . 1 1 20 20 ASP H H 1 8.385 0.020 . 1 . . . . 229 Asp HN . 25893 1 161 . 1 1 20 20 ASP HA H 1 4.570 0.020 . 1 . . . . 229 Asp HA . 25893 1 162 . 1 1 20 20 ASP HB2 H 1 2.749 0.020 . 2 . . . . 229 Asp HB2 . 25893 1 163 . 1 1 20 20 ASP HB3 H 1 2.695 0.020 . 2 . . . . 229 Asp HB3 . 25893 1 164 . 1 1 20 20 ASP CA C 13 55.182 0.100 . 1 . . . . 229 Asp CA . 25893 1 165 . 1 1 20 20 ASP CB C 13 41.154 0.100 . 1 . . . . 229 Asp CB . 25893 1 166 . 1 1 20 20 ASP N N 15 121.317 0.100 . 1 . . . . 229 Asp N . 25893 1 167 . 1 1 21 21 LYS H H 1 8.149 0.020 . 1 . . . . 230 Lys HN . 25893 1 168 . 1 1 21 21 LYS HA H 1 4.225 0.020 . 1 . . . . 230 Lys HA . 25893 1 169 . 1 1 21 21 LYS HB2 H 1 1.856 0.020 . 2 . . . . 230 Lys HB2 . 25893 1 170 . 1 1 21 21 LYS CA C 13 57.613 0.100 . 1 . . . . 230 Lys CA . 25893 1 171 . 1 1 21 21 LYS CB C 13 32.953 0.100 . 1 . . . . 230 Lys CB . 25893 1 172 . 1 1 21 21 LYS N N 15 121.479 0.100 . 1 . . . . 230 Lys N . 25893 1 173 . 1 1 22 22 ASP H H 1 8.377 0.020 . 1 . . . . 231 Asp HN . 25893 1 174 . 1 1 22 22 ASP HA H 1 4.650 0.020 . 1 . . . . 231 Asp HA . 25893 1 175 . 1 1 22 22 ASP HB2 H 1 2.688 0.020 . 2 . . . . 231 Asp HB2 . 25893 1 176 . 1 1 22 22 ASP HB3 H 1 2.786 0.020 . 2 . . . . 231 Asp HB3 . 25893 1 177 . 1 1 22 22 ASP CA C 13 55.238 0.100 . 1 . . . . 231 Asp CA . 25893 1 178 . 1 1 22 22 ASP CB C 13 41.162 0.100 . 1 . . . . 231 Asp CB . 25893 1 179 . 1 1 22 22 ASP N N 15 121.406 0.100 . 1 . . . . 231 Asp N . 25893 1 180 . 1 1 23 23 SER H H 1 8.410 0.020 . 1 . . . . 232 Ser HN . 25893 1 181 . 1 1 23 23 SER HA H 1 4.412 0.020 . 1 . . . . 232 Ser HA . 25893 1 182 . 1 1 23 23 SER HB2 H 1 4.000 0.020 . 2 . . . . 232 Ser HB2 . 25893 1 183 . 1 1 23 23 SER HB3 H 1 4.097 0.020 . 2 . . . . 232 Ser HB3 . 25893 1 184 . 1 1 23 23 SER CA C 13 59.809 0.100 . 1 . . . . 232 Ser CA . 25893 1 185 . 1 1 23 23 SER CB C 13 63.697 0.100 . 1 . . . . 232 Ser CB . 25893 1 186 . 1 1 23 23 SER N N 15 117.580 0.100 . 1 . . . . 232 Ser N . 25893 1 187 . 1 1 24 24 LYS H H 1 8.341 0.020 . 1 . . . . 233 Lys HN . 25893 1 188 . 1 1 24 24 LYS HA H 1 4.076 0.020 . 1 . . . . 233 Lys HA . 25893 1 189 . 1 1 24 24 LYS CA C 13 59.538 0.100 . 1 . . . . 233 Lys CA . 25893 1 190 . 1 1 24 24 LYS CB C 13 32.457 0.100 . 1 . . . . 233 Lys CB . 25893 1 191 . 1 1 24 24 LYS N N 15 122.745 0.100 . 1 . . . . 233 Lys N . 25893 1 192 . 1 1 25 25 LEU H H 1 8.105 0.020 . 1 . . . . 234 Leu HN . 25893 1 193 . 1 1 25 25 LEU HA H 1 4.230 0.020 . 1 . . . . 234 Leu HA . 25893 1 194 . 1 1 25 25 LEU HB2 H 1 1.742 0.020 . 2 . . . . 234 Leu HB2 . 25893 1 195 . 1 1 25 25 LEU HB3 H 1 1.775 0.020 . 2 . . . . 234 Leu HB3 . 25893 1 196 . 1 1 25 25 LEU HD11 H 1 0.967 0.020 . 2 . . . . 234 Leu HD1* . 25893 1 197 . 1 1 25 25 LEU HD12 H 1 0.967 0.020 . 2 . . . . 234 Leu HD1* . 25893 1 198 . 1 1 25 25 LEU HD13 H 1 0.967 0.020 . 2 . . . . 234 Leu HD1* . 25893 1 199 . 1 1 25 25 LEU HD21 H 1 0.994 0.020 . 2 . . . . 234 Leu HD2* . 25893 1 200 . 1 1 25 25 LEU HD22 H 1 0.994 0.020 . 2 . . . . 234 Leu HD2* . 25893 1 201 . 1 1 25 25 LEU HD23 H 1 0.994 0.020 . 2 . . . . 234 Leu HD2* . 25893 1 202 . 1 1 25 25 LEU HG H 1 1.680 0.020 . 1 . . . . 234 Leu HG . 25893 1 203 . 1 1 25 25 LEU CA C 13 57.914 0.100 . 1 . . . . 234 Leu CA . 25893 1 204 . 1 1 25 25 LEU CB C 13 41.781 0.100 . 1 . . . . 234 Leu CB . 25893 1 205 . 1 1 25 25 LEU CD1 C 13 24.730 0.100 . 2 . . . . 234 Leu CD1 . 25893 1 206 . 1 1 25 25 LEU CD2 C 13 24.649 0.100 . 2 . . . . 234 Leu CD2 . 25893 1 207 . 1 1 25 25 LEU CG C 13 27.488 0.100 . 1 . . . . 234 Leu CG . 25893 1 208 . 1 1 25 25 LEU N N 15 122.028 0.100 . 1 . . . . 234 Leu N . 25893 1 209 . 1 1 26 26 GLU H H 1 8.169 0.020 . 1 . . . . 235 Glu HN . 25893 1 210 . 1 1 26 26 GLU HA H 1 3.954 0.020 . 1 . . . . 235 Glu HA . 25893 1 211 . 1 1 26 26 GLU HB2 H 1 2.160 0.020 . 2 . . . . 235 Glu HB2 . 25893 1 212 . 1 1 26 26 GLU HB3 H 1 2.098 0.020 . 2 . . . . 235 Glu HB3 . 25893 1 213 . 1 1 26 26 GLU HG2 H 1 2.281 0.020 . 2 . . . . 235 Glu HG2 . 25893 1 214 . 1 1 26 26 GLU HG3 H 1 2.377 0.020 . 2 . . . . 235 Glu HG3 . 25893 1 215 . 1 1 26 26 GLU CA C 13 60.016 0.100 . 1 . . . . 235 Glu CA . 25893 1 216 . 1 1 26 26 GLU CB C 13 29.546 0.100 . 1 . . . . 235 Glu CB . 25893 1 217 . 1 1 26 26 GLU CG C 13 36.719 0.100 . 1 . . . . 235 Glu CG . 25893 1 218 . 1 1 26 26 GLU N N 15 119.331 0.100 . 1 . . . . 235 Glu N . 25893 1 219 . 1 1 27 27 LYS H H 1 8.103 0.020 . 1 . . . . 236 Lys HN . 25893 1 220 . 1 1 27 27 LYS HA H 1 4.064 0.020 . 1 . . . . 236 Lys HA . 25893 1 221 . 1 1 27 27 LYS HB2 H 1 1.914 0.020 . 2 . . . . 236 Lys HB2 . 25893 1 222 . 1 1 27 27 LYS HB3 H 1 1.945 0.020 . 2 . . . . 236 Lys HB3 . 25893 1 223 . 1 1 27 27 LYS HE2 H 1 3.008 0.020 . 2 . . . . 236 Lys HE2 . 25893 1 224 . 1 1 27 27 LYS HE3 H 1 3.008 0.020 . 2 . . . . 236 Lys HE3 . 25893 1 225 . 1 1 27 27 LYS HG2 H 1 1.458 0.020 . 2 . . . . 236 Lys HG2 . 25893 1 226 . 1 1 27 27 LYS HG3 H 1 1.601 0.020 . 2 . . . . 236 Lys HG3 . 25893 1 227 . 1 1 27 27 LYS CA C 13 59.714 0.100 . 1 . . . . 236 Lys CA . 25893 1 228 . 1 1 27 27 LYS CB C 13 32.512 0.100 . 1 . . . . 236 Lys CB . 25893 1 229 . 1 1 27 27 LYS CD C 13 29.202 0.100 . 1 . . . . 236 Lys CD . 25893 1 230 . 1 1 27 27 LYS CE C 13 42.294 0.100 . 1 . . . . 236 Lys CE . 25893 1 231 . 1 1 27 27 LYS CG C 13 25.380 0.100 . 1 . . . . 236 Lys CG . 25893 1 232 . 1 1 27 27 LYS N N 15 119.491 0.100 . 1 . . . . 236 Lys N . 25893 1 233 . 1 1 28 28 ALA H H 1 8.054 0.020 . 1 . . . . 237 Ala HN . 25893 1 234 . 1 1 28 28 ALA HA H 1 4.218 0.020 . 1 . . . . 237 Ala HA . 25893 1 235 . 1 1 28 28 ALA HB1 H 1 1.542 0.020 . 1 . . . . 237 Ala HB* . 25893 1 236 . 1 1 28 28 ALA HB2 H 1 1.542 0.020 . 1 . . . . 237 Ala HB* . 25893 1 237 . 1 1 28 28 ALA HB3 H 1 1.542 0.020 . 1 . . . . 237 Ala HB* . 25893 1 238 . 1 1 28 28 ALA CA C 13 55.076 0.100 . 1 . . . . 237 Ala CA . 25893 1 239 . 1 1 28 28 ALA CB C 13 18.450 0.100 . 1 . . . . 237 Ala CB . 25893 1 240 . 1 1 28 28 ALA N N 15 123.994 0.100 . 1 . . . . 237 Ala N . 25893 1 241 . 1 1 29 29 LEU H H 1 8.704 0.020 . 1 . . . . 238 Leu HN . 25893 1 242 . 1 1 29 29 LEU HA H 1 3.928 0.020 . 1 . . . . 238 Leu HA . 25893 1 243 . 1 1 29 29 LEU HB2 H 1 1.618 0.020 . 2 . . . . 238 Leu HB2 . 25893 1 244 . 1 1 29 29 LEU HB3 H 1 1.807 0.020 . 2 . . . . 238 Leu HB3 . 25893 1 245 . 1 1 29 29 LEU HD11 H 1 0.822 0.020 . 2 . . . . 238 Leu HD1* . 25893 1 246 . 1 1 29 29 LEU HD12 H 1 0.822 0.020 . 2 . . . . 238 Leu HD1* . 25893 1 247 . 1 1 29 29 LEU HD13 H 1 0.822 0.020 . 2 . . . . 238 Leu HD1* . 25893 1 248 . 1 1 29 29 LEU HD21 H 1 0.831 0.020 . 2 . . . . 238 Leu HD2* . 25893 1 249 . 1 1 29 29 LEU HD22 H 1 0.831 0.020 . 2 . . . . 238 Leu HD2* . 25893 1 250 . 1 1 29 29 LEU HD23 H 1 0.831 0.020 . 2 . . . . 238 Leu HD2* . 25893 1 251 . 1 1 29 29 LEU CA C 13 58.227 0.100 . 1 . . . . 238 Leu CA . 25893 1 252 . 1 1 29 29 LEU CB C 13 41.915 0.100 . 1 . . . . 238 Leu CB . 25893 1 253 . 1 1 29 29 LEU CD1 C 13 25.385 0.100 . 2 . . . . 238 Leu CD1 . 25893 1 254 . 1 1 29 29 LEU CD2 C 13 24.384 0.100 . 2 . . . . 238 Leu CD2 . 25893 1 255 . 1 1 29 29 LEU N N 15 122.182 0.100 . 1 . . . . 238 Leu N . 25893 1 256 . 1 1 30 30 LYS H H 1 7.931 0.020 . 1 . . . . 239 Lys HN . 25893 1 257 . 1 1 30 30 LYS HA H 1 4.062 0.020 . 1 . . . . 239 Lys HA . 25893 1 258 . 1 1 30 30 LYS HB2 H 1 1.942 0.020 . 2 . . . . 239 Lys HB2 . 25893 1 259 . 1 1 30 30 LYS HB3 H 1 1.942 0.020 . 2 . . . . 239 Lys HB3 . 25893 1 260 . 1 1 30 30 LYS HD2 H 1 1.656 0.020 . 2 . . . . 239 Lys HD2 . 25893 1 261 . 1 1 30 30 LYS HE2 H 1 3.006 0.020 . 2 . . . . 239 Lys HE2 . 25893 1 262 . 1 1 30 30 LYS HE3 H 1 3.006 0.020 . 2 . . . . 239 Lys HE3 . 25893 1 263 . 1 1 30 30 LYS HG2 H 1 1.554 0.020 . 2 . . . . 239 Lys HG2 . 25893 1 264 . 1 1 30 30 LYS HG3 H 1 1.554 0.020 . 2 . . . . 239 Lys HG3 . 25893 1 265 . 1 1 30 30 LYS CA C 13 59.810 0.100 . 1 . . . . 239 Lys CA . 25893 1 266 . 1 1 30 30 LYS CB C 13 32.339 0.100 . 1 . . . . 239 Lys CB . 25893 1 267 . 1 1 30 30 LYS CD C 13 29.251 0.100 . 1 . . . . 239 Lys CD . 25893 1 268 . 1 1 30 30 LYS CE C 13 42.189 0.100 . 1 . . . . 239 Lys CE . 25893 1 269 . 1 1 30 30 LYS CG C 13 25.328 0.100 . 1 . . . . 239 Lys CG . 25893 1 270 . 1 1 30 30 LYS N N 15 120.289 0.100 . 1 . . . . 239 Lys N . 25893 1 271 . 1 1 31 31 ALA H H 1 7.948 0.020 . 1 . . . . 240 Ala HN . 25893 1 272 . 1 1 31 31 ALA HA H 1 4.223 0.020 . 1 . . . . 240 Ala HA . 25893 1 273 . 1 1 31 31 ALA HB1 H 1 1.539 0.020 . 1 . . . . 240 Ala HB* . 25893 1 274 . 1 1 31 31 ALA HB2 H 1 1.539 0.020 . 1 . . . . 240 Ala HB* . 25893 1 275 . 1 1 31 31 ALA HB3 H 1 1.539 0.020 . 1 . . . . 240 Ala HB* . 25893 1 276 . 1 1 31 31 ALA CA C 13 55.179 0.100 . 1 . . . . 240 Ala CA . 25893 1 277 . 1 1 31 31 ALA CB C 13 17.940 0.100 . 1 . . . . 240 Ala CB . 25893 1 278 . 1 1 31 31 ALA N N 15 120.189 0.100 . 1 . . . . 240 Ala N . 25893 1 279 . 1 1 32 32 GLN H H 1 8.023 0.020 . 1 . . . . 241 Gln HN . 25893 1 280 . 1 1 32 32 GLN HA H 1 4.129 0.020 . 1 . . . . 241 Gln HA . 25893 1 281 . 1 1 32 32 GLN HB2 H 1 2.266 0.020 . 2 . . . . 241 Gln HB2 . 25893 1 282 . 1 1 32 32 GLN HB3 H 1 2.338 0.020 . 2 . . . . 241 Gln HB3 . 25893 1 283 . 1 1 32 32 GLN HE21 H 1 7.962 0.020 . 1 . . . . 241 Gln HE21 . 25893 1 284 . 1 1 32 32 GLN HE22 H 1 7.400 0.020 . 1 . . . . 241 Gln HE22 . 25893 1 285 . 1 1 32 32 GLN HG2 H 1 2.363 0.020 . 2 . . . . 241 Gln HG2 . 25893 1 286 . 1 1 32 32 GLN HG3 H 1 2.389 0.020 . 2 . . . . 241 Gln HG3 . 25893 1 287 . 1 1 32 32 GLN CA C 13 59.620 0.100 . 1 . . . . 241 Gln CA . 25893 1 288 . 1 1 32 32 GLN CB C 13 31.242 0.100 . 1 . . . . 241 Gln CB . 25893 1 289 . 1 1 32 32 GLN CG C 13 35.857 0.100 . 1 . . . . 241 Gln CG . 25893 1 290 . 1 1 32 32 GLN N N 15 120.214 0.100 . 1 . . . . 241 Gln N . 25893 1 291 . 1 1 32 32 GLN NE2 N 15 111.764 0.100 . 1 . . . . 241 Gln NE2 . 25893 1 292 . 1 1 33 33 ASN H H 1 8.583 0.020 . 1 . . . . 242 Asn HN . 25893 1 293 . 1 1 33 33 ASN HA H 1 4.495 0.020 . 1 . . . . 242 Asn HA . 25893 1 294 . 1 1 33 33 ASN HB2 H 1 2.779 0.020 . 2 . . . . 242 Asn HB2 . 25893 1 295 . 1 1 33 33 ASN HB3 H 1 2.966 0.020 . 2 . . . . 242 Asn HB3 . 25893 1 296 . 1 1 33 33 ASN HD21 H 1 7.647 0.020 . 1 . . . . 242 Asn HD21 . 25893 1 297 . 1 1 33 33 ASN HD22 H 1 6.815 0.020 . 1 . . . . 242 Asn HD22 . 25893 1 298 . 1 1 33 33 ASN CA C 13 56.201 0.100 . 1 . . . . 242 Asn CA . 25893 1 299 . 1 1 33 33 ASN CB C 13 37.810 0.100 . 1 . . . . 242 Asn CB . 25893 1 300 . 1 1 33 33 ASN N N 15 118.939 0.100 . 1 . . . . 242 Asn N . 25893 1 301 . 1 1 33 33 ASN ND2 N 15 112.226 0.100 . 1 . . . . 242 Asn ND2 . 25893 1 302 . 1 1 34 34 ASP H H 1 8.725 0.020 . 1 . . . . 243 Asp HN . 25893 1 303 . 1 1 34 34 ASP HA H 1 4.527 0.020 . 1 . . . . 243 Asp HA . 25893 1 304 . 1 1 34 34 ASP HB2 H 1 2.670 0.020 . 2 . . . . 243 Asp HB2 . 25893 1 305 . 1 1 34 34 ASP HB3 H 1 2.800 0.020 . 2 . . . . 243 Asp HB3 . 25893 1 306 . 1 1 34 34 ASP CA C 13 57.550 0.100 . 1 . . . . 243 Asp CA . 25893 1 307 . 1 1 34 34 ASP CB C 13 40.315 0.100 . 1 . . . . 243 Asp CB . 25893 1 308 . 1 1 34 34 ASP N N 15 122.124 0.100 . 1 . . . . 243 Asp N . 25893 1 309 . 1 1 35 35 LEU H H 1 7.816 0.020 . 1 . . . . 244 Leu HN . 25893 1 310 . 1 1 35 35 LEU HA H 1 4.204 0.020 . 1 . . . . 244 Leu HA . 25893 1 311 . 1 1 35 35 LEU HB2 H 1 1.702 0.020 . 2 . . . . 244 Leu HB2 . 25893 1 312 . 1 1 35 35 LEU HB3 H 1 2.088 0.020 . 2 . . . . 244 Leu HB3 . 25893 1 313 . 1 1 35 35 LEU HD11 H 1 0.855 0.020 . 2 . . . . 244 Leu HD1* . 25893 1 314 . 1 1 35 35 LEU HD12 H 1 0.855 0.020 . 2 . . . . 244 Leu HD1* . 25893 1 315 . 1 1 35 35 LEU HD13 H 1 0.855 0.020 . 2 . . . . 244 Leu HD1* . 25893 1 316 . 1 1 35 35 LEU HD21 H 1 0.943 0.020 . 2 . . . . 244 Leu HD2* . 25893 1 317 . 1 1 35 35 LEU HD22 H 1 0.943 0.020 . 2 . . . . 244 Leu HD2* . 25893 1 318 . 1 1 35 35 LEU HD23 H 1 0.943 0.020 . 2 . . . . 244 Leu HD2* . 25893 1 319 . 1 1 35 35 LEU CA C 13 58.671 0.100 . 1 . . . . 244 Leu CA . 25893 1 320 . 1 1 35 35 LEU CB C 13 41.694 0.100 . 1 . . . . 244 Leu CB . 25893 1 321 . 1 1 35 35 LEU CD1 C 13 26.484 0.100 . 2 . . . . 244 Leu CD1 . 25893 1 322 . 1 1 35 35 LEU CD2 C 13 23.789 0.100 . 2 . . . . 244 Leu CD2 . 25893 1 323 . 1 1 35 35 LEU N N 15 122.922 0.100 . 1 . . . . 244 Leu N . 25893 1 324 . 1 1 36 36 ILE H H 1 8.063 0.020 . 1 . . . . 245 Ile HN . 25893 1 325 . 1 1 36 36 ILE HA H 1 3.408 0.020 . 1 . . . . 245 Ile HA . 25893 1 326 . 1 1 36 36 ILE HB H 1 2.016 0.020 . 1 . . . . 245 Ile HB . 25893 1 327 . 1 1 36 36 ILE HD11 H 1 0.816 0.020 . 1 . . . . 245 Ile HD1* . 25893 1 328 . 1 1 36 36 ILE HD12 H 1 0.816 0.020 . 1 . . . . 245 Ile HD1* . 25893 1 329 . 1 1 36 36 ILE HD13 H 1 0.816 0.020 . 1 . . . . 245 Ile HD1* . 25893 1 330 . 1 1 36 36 ILE HG12 H 1 1.736 0.020 . 2 . . . . 245 Ile HG11 . 25893 1 331 . 1 1 36 36 ILE HG13 H 1 1.025 0.020 . 2 . . . . 245 Ile HG12 . 25893 1 332 . 1 1 36 36 ILE HG21 H 1 0.831 0.020 . 1 . . . . 245 Ile HG2* . 25893 1 333 . 1 1 36 36 ILE HG22 H 1 0.831 0.020 . 1 . . . . 245 Ile HG2* . 25893 1 334 . 1 1 36 36 ILE HG23 H 1 0.831 0.020 . 1 . . . . 245 Ile HG2* . 25893 1 335 . 1 1 36 36 ILE CA C 13 65.215 0.100 . 1 . . . . 245 Ile CA . 25893 1 336 . 1 1 36 36 ILE CB C 13 37.647 0.100 . 1 . . . . 245 Ile CB . 25893 1 337 . 1 1 36 36 ILE CD1 C 13 12.527 0.100 . 1 . . . . 245 Ile CD . 25893 1 338 . 1 1 36 36 ILE CG1 C 13 29.349 0.100 . 1 . . . . 245 Ile CG1 . 25893 1 339 . 1 1 36 36 ILE CG2 C 13 17.495 0.100 . 1 . . . . 245 Ile CG2 . 25893 1 340 . 1 1 36 36 ILE N N 15 118.580 0.100 . 1 . . . . 245 Ile N . 25893 1 341 . 1 1 37 37 TRP H H 1 8.386 0.020 . 1 . . . . 246 Trp HN . 25893 1 342 . 1 1 37 37 TRP HA H 1 4.039 0.020 . 1 . . . . 246 Trp HA . 25893 1 343 . 1 1 37 37 TRP HB2 H 1 3.389 0.020 . 2 . . . . 246 Trp HB2 . 25893 1 344 . 1 1 37 37 TRP HB3 H 1 3.462 0.020 . 2 . . . . 246 Trp HB3 . 25893 1 345 . 1 1 37 37 TRP HD1 H 1 7.270 0.020 . 1 . . . . 246 Trp HD1 . 25893 1 346 . 1 1 37 37 TRP HE1 H 1 10.032 0.020 . 1 . . . . 246 Trp HE1 . 25893 1 347 . 1 1 37 37 TRP HE3 H 1 7.655 0.020 . 1 . . . . 246 Trp HE3 . 25893 1 348 . 1 1 37 37 TRP HH2 H 1 7.189 0.020 . 1 . . . . 246 Trp HH2 . 25893 1 349 . 1 1 37 37 TRP HZ2 H 1 7.473 0.020 . 1 . . . . 246 Trp HZ2 . 25893 1 350 . 1 1 37 37 TRP HZ3 H 1 7.127 0.020 . 1 . . . . 246 Trp HZ3 . 25893 1 351 . 1 1 37 37 TRP CA C 13 62.109 0.100 . 1 . . . . 246 Trp CA . 25893 1 352 . 1 1 37 37 TRP CB C 13 28.964 0.100 . 1 . . . . 246 Trp CB . 25893 1 353 . 1 1 37 37 TRP CD1 C 13 127.557 0.100 . 1 . . . . 246 Trp CD1 . 25893 1 354 . 1 1 37 37 TRP CE3 C 13 120.848 0.100 . 1 . . . . 246 Trp CE3 . 25893 1 355 . 1 1 37 37 TRP CH2 C 13 124.623 0.100 . 1 . . . . 246 Trp CH2 . 25893 1 356 . 1 1 37 37 TRP CZ2 C 13 114.543 0.100 . 1 . . . . 246 Trp CZ2 . 25893 1 357 . 1 1 37 37 TRP CZ3 C 13 121.792 0.100 . 1 . . . . 246 Trp CZ3 . 25893 1 358 . 1 1 37 37 TRP N N 15 119.607 0.100 . 1 . . . . 246 Trp N . 25893 1 359 . 1 1 37 37 TRP NE1 N 15 129.077 0.100 . 1 . . . . 246 Trp NE1 . 25893 1 360 . 1 1 38 38 ASN H H 1 8.418 0.020 . 1 . . . . 247 Asn HN . 25893 1 361 . 1 1 38 38 ASN HA H 1 4.329 0.020 . 1 . . . . 247 Asn HA . 25893 1 362 . 1 1 38 38 ASN HB2 H 1 2.460 0.020 . 2 . . . . 247 Asn HB2 . 25893 1 363 . 1 1 38 38 ASN HB3 H 1 2.909 0.020 . 2 . . . . 247 Asn HB3 . 25893 1 364 . 1 1 38 38 ASN HD21 H 1 7.338 0.020 . 1 . . . . 247 Asn HD21 . 25893 1 365 . 1 1 38 38 ASN HD22 H 1 6.992 0.020 . 1 . . . . 247 Asn HD22 . 25893 1 366 . 1 1 38 38 ASN CA C 13 56.810 0.100 . 1 . . . . 247 Asn CA . 25893 1 367 . 1 1 38 38 ASN CB C 13 38.657 0.100 . 1 . . . . 247 Asn CB . 25893 1 368 . 1 1 38 38 ASN N N 15 118.223 0.100 . 1 . . . . 247 Asn N . 25893 1 369 . 1 1 38 38 ASN ND2 N 15 112.710 0.100 . 1 . . . . 247 Asn ND2 . 25893 1 370 . 1 1 39 39 ILE H H 1 8.375 0.020 . 1 . . . . 248 Ile HN . 25893 1 371 . 1 1 39 39 ILE HA H 1 3.670 0.020 . 1 . . . . 248 Ile HA . 25893 1 372 . 1 1 39 39 ILE HB H 1 1.864 0.020 . 1 . . . . 248 Ile HB . 25893 1 373 . 1 1 39 39 ILE HD11 H 1 0.571 0.020 . 1 . . . . 248 Ile HD1* . 25893 1 374 . 1 1 39 39 ILE HD12 H 1 0.571 0.020 . 1 . . . . 248 Ile HD1* . 25893 1 375 . 1 1 39 39 ILE HD13 H 1 0.571 0.020 . 1 . . . . 248 Ile HD1* . 25893 1 376 . 1 1 39 39 ILE HG12 H 1 1.100 0.020 . 2 . . . . 248 Ile HG11 . 25893 1 377 . 1 1 39 39 ILE HG13 H 1 1.492 0.020 . 2 . . . . 248 Ile HG12 . 25893 1 378 . 1 1 39 39 ILE HG21 H 1 0.759 0.020 . 1 . . . . 248 Ile HG2* . 25893 1 379 . 1 1 39 39 ILE HG22 H 1 0.759 0.020 . 1 . . . . 248 Ile HG2* . 25893 1 380 . 1 1 39 39 ILE HG23 H 1 0.759 0.020 . 1 . . . . 248 Ile HG2* . 25893 1 381 . 1 1 39 39 ILE CA C 13 64.888 0.100 . 1 . . . . 248 Ile CA . 25893 1 382 . 1 1 39 39 ILE CB C 13 37.500 0.100 . 1 . . . . 248 Ile CB . 25893 1 383 . 1 1 39 39 ILE CD1 C 13 13.818 0.100 . 1 . . . . 248 Ile CD . 25893 1 384 . 1 1 39 39 ILE CG1 C 13 29.467 0.100 . 1 . . . . 248 Ile CG1 . 25893 1 385 . 1 1 39 39 ILE CG2 C 13 17.383 0.100 . 1 . . . . 248 Ile CG2 . 25893 1 386 . 1 1 39 39 ILE N N 15 120.918 0.100 . 1 . . . . 248 Ile N . 25893 1 387 . 1 1 40 40 LYS H H 1 8.209 0.020 . 1 . . . . 249 Lys HN . 25893 1 388 . 1 1 40 40 LYS HA H 1 3.682 0.020 . 1 . . . . 249 Lys HA . 25893 1 389 . 1 1 40 40 LYS HB2 H 1 1.584 0.020 . 2 . . . . 249 Lys HB2 . 25893 1 390 . 1 1 40 40 LYS HB3 H 1 1.820 0.020 . 2 . . . . 249 Lys HB3 . 25893 1 391 . 1 1 40 40 LYS HD2 H 1 1.515 0.020 . 2 . . . . 249 Lys HD2 . 25893 1 392 . 1 1 40 40 LYS HD3 H 1 1.515 0.020 . 2 . . . . 249 Lys HD3 . 25893 1 393 . 1 1 40 40 LYS HE2 H 1 2.657 0.020 . 2 . . . . 249 Lys HE2 . 25893 1 394 . 1 1 40 40 LYS HE3 H 1 2.569 0.020 . 2 . . . . 249 Lys HE3 . 25893 1 395 . 1 1 40 40 LYS HG2 H 1 0.990 0.020 . 2 . . . . 249 Lys HG2 . 25893 1 396 . 1 1 40 40 LYS HG3 H 1 1.714 0.020 . 2 . . . . 249 Lys HG3 . 25893 1 397 . 1 1 40 40 LYS CA C 13 61.465 0.100 . 1 . . . . 249 Lys CA . 25893 1 398 . 1 1 40 40 LYS CB C 13 32.306 0.100 . 1 . . . . 249 Lys CB . 25893 1 399 . 1 1 40 40 LYS CD C 13 29.957 0.100 . 1 . . . . 249 Lys CD . 25893 1 400 . 1 1 40 40 LYS CG C 13 27.194 0.100 . 1 . . . . 249 Lys CG . 25893 1 401 . 1 1 40 40 LYS N N 15 119.066 0.100 . 1 . . . . 249 Lys N . 25893 1 402 . 1 1 41 41 ASP H H 1 7.930 0.020 . 1 . . . . 250 Asp HN . 25893 1 403 . 1 1 41 41 ASP HA H 1 4.093 0.020 . 1 . . . . 250 Asp HA . 25893 1 404 . 1 1 41 41 ASP HB2 H 1 2.140 0.020 . 2 . . . . 250 Asp HB2 . 25893 1 405 . 1 1 41 41 ASP HB3 H 1 2.492 0.020 . 2 . . . . 250 Asp HB3 . 25893 1 406 . 1 1 41 41 ASP CA C 13 57.637 0.100 . 1 . . . . 250 Asp CA . 25893 1 407 . 1 1 41 41 ASP CB C 13 41.865 0.100 . 1 . . . . 250 Asp CB . 25893 1 408 . 1 1 41 41 ASP N N 15 117.844 0.100 . 1 . . . . 250 Asp N . 25893 1 409 . 1 1 42 42 GLU H H 1 7.840 0.020 . 1 . . . . 251 Glu HN . 25893 1 410 . 1 1 42 42 GLU HA H 1 4.049 0.020 . 1 . . . . 251 Glu HA . 25893 1 411 . 1 1 42 42 GLU HB2 H 1 1.990 0.020 . 2 . . . . 251 Glu HB2 . 25893 1 412 . 1 1 42 42 GLU HB3 H 1 1.846 0.020 . 2 . . . . 251 Glu HB3 . 25893 1 413 . 1 1 42 42 GLU HG2 H 1 2.281 0.020 . 2 . . . . 251 Glu HG2 . 25893 1 414 . 1 1 42 42 GLU HG3 H 1 2.165 0.020 . 2 . . . . 251 Glu HG3 . 25893 1 415 . 1 1 42 42 GLU CA C 13 59.310 0.100 . 1 . . . . 251 Glu CA . 25893 1 416 . 1 1 42 42 GLU CB C 13 29.437 0.100 . 1 . . . . 251 Glu CB . 25893 1 417 . 1 1 42 42 GLU CG C 13 36.250 0.100 . 1 . . . . 251 Glu CG . 25893 1 418 . 1 1 42 42 GLU N N 15 118.192 0.100 . 1 . . . . 251 Glu N . 25893 1 419 . 1 1 43 43 LEU H H 1 8.778 0.020 . 1 . . . . 252 Leu HN . 25893 1 420 . 1 1 43 43 LEU HA H 1 3.932 0.020 . 1 . . . . 252 Leu HA . 25893 1 421 . 1 1 43 43 LEU HB2 H 1 1.136 0.020 . 2 . . . . 252 Leu HB2 . 25893 1 422 . 1 1 43 43 LEU HB3 H 1 2.019 0.020 . 2 . . . . 252 Leu HB3 . 25893 1 423 . 1 1 43 43 LEU HD11 H 1 0.713 0.020 . 2 . . . . 252 Leu HD1* . 25893 1 424 . 1 1 43 43 LEU HD12 H 1 0.713 0.020 . 2 . . . . 252 Leu HD1* . 25893 1 425 . 1 1 43 43 LEU HD13 H 1 0.713 0.020 . 2 . . . . 252 Leu HD1* . 25893 1 426 . 1 1 43 43 LEU HD21 H 1 0.785 0.020 . 2 . . . . 252 Leu HD2* . 25893 1 427 . 1 1 43 43 LEU HD22 H 1 0.785 0.020 . 2 . . . . 252 Leu HD2* . 25893 1 428 . 1 1 43 43 LEU HD23 H 1 0.785 0.020 . 2 . . . . 252 Leu HD2* . 25893 1 429 . 1 1 43 43 LEU HG H 1 1.902 0.020 . 1 . . . . 252 Leu HG . 25893 1 430 . 1 1 43 43 LEU CA C 13 58.248 0.100 . 1 . . . . 252 Leu CA . 25893 1 431 . 1 1 43 43 LEU CB C 13 42.691 0.100 . 1 . . . . 252 Leu CB . 25893 1 432 . 1 1 43 43 LEU CD1 C 13 26.637 0.100 . 2 . . . . 252 Leu CD1 . 25893 1 433 . 1 1 43 43 LEU CD2 C 13 22.760 0.100 . 2 . . . . 252 Leu CD2 . 25893 1 434 . 1 1 43 43 LEU N N 15 119.332 0.100 . 1 . . . . 252 Leu N . 25893 1 435 . 1 1 44 44 LYS H H 1 7.791 0.020 . 1 . . . . 253 Lys HN . 25893 1 436 . 1 1 44 44 LYS HA H 1 4.127 0.020 . 1 . . . . 253 Lys HA . 25893 1 437 . 1 1 44 44 LYS HB2 H 1 1.875 0.020 . 2 . . . . 253 Lys HB2 . 25893 1 438 . 1 1 44 44 LYS HD2 H 1 1.648 0.020 . 2 . . . . 253 Lys HD2 . 25893 1 439 . 1 1 44 44 LYS HE2 H 1 2.913 0.020 . 2 . . . . 253 Lys HE2 . 25893 1 440 . 1 1 44 44 LYS HE3 H 1 2.913 0.020 . 2 . . . . 253 Lys HE3 . 25893 1 441 . 1 1 44 44 LYS HG2 H 1 1.511 0.020 . 2 . . . . 253 Lys HG2 . 25893 1 442 . 1 1 44 44 LYS HG3 H 1 1.604 0.020 . 2 . . . . 253 Lys HG3 . 25893 1 443 . 1 1 44 44 LYS CA C 13 58.557 0.100 . 1 . . . . 253 Lys CA . 25893 1 444 . 1 1 44 44 LYS CB C 13 32.423 0.100 . 1 . . . . 253 Lys CB . 25893 1 445 . 1 1 44 44 LYS CD C 13 29.331 0.100 . 1 . . . . 253 Lys CD . 25893 1 446 . 1 1 44 44 LYS CE C 13 42.149 0.100 . 1 . . . . 253 Lys CE . 25893 1 447 . 1 1 44 44 LYS CG C 13 25.292 0.100 . 1 . . . . 253 Lys CG . 25893 1 448 . 1 1 44 44 LYS N N 15 115.434 0.100 . 1 . . . . 253 Lys N . 25893 1 449 . 1 1 45 45 LYS H H 1 7.367 0.020 . 1 . . . . 254 Lys HN . 25893 1 450 . 1 1 45 45 LYS HA H 1 4.190 0.020 . 1 . . . . 254 Lys HA . 25893 1 451 . 1 1 45 45 LYS HB2 H 1 1.943 0.020 . 2 . . . . 254 Lys HB2 . 25893 1 452 . 1 1 45 45 LYS HB3 H 1 2.005 0.020 . 2 . . . . 254 Lys HB3 . 25893 1 453 . 1 1 45 45 LYS HD2 H 1 1.679 0.020 . 2 . . . . 254 Lys HD2 . 25893 1 454 . 1 1 45 45 LYS HD3 H 1 1.679 0.020 . 2 . . . . 254 Lys HD3 . 25893 1 455 . 1 1 45 45 LYS HE2 H 1 2.918 0.020 . 2 . . . . 254 Lys HE2 . 25893 1 456 . 1 1 45 45 LYS HE3 H 1 2.918 0.020 . 2 . . . . 254 Lys HE3 . 25893 1 457 . 1 1 45 45 LYS HG2 H 1 1.393 0.020 . 2 . . . . 254 Lys HG2 . 25893 1 458 . 1 1 45 45 LYS HG3 H 1 1.679 0.020 . 2 . . . . 254 Lys HG3 . 25893 1 459 . 1 1 45 45 LYS CA C 13 58.726 0.100 . 1 . . . . 254 Lys CA . 25893 1 460 . 1 1 45 45 LYS CB C 13 33.818 0.100 . 1 . . . . 254 Lys CB . 25893 1 461 . 1 1 45 45 LYS CD C 13 29.582 0.100 . 1 . . . . 254 Lys CD . 25893 1 462 . 1 1 45 45 LYS CE C 13 42.288 0.100 . 1 . . . . 254 Lys CE . 25893 1 463 . 1 1 45 45 LYS CG C 13 25.613 0.100 . 1 . . . . 254 Lys CG . 25893 1 464 . 1 1 45 45 LYS N N 15 116.284 0.100 . 1 . . . . 254 Lys N . 25893 1 465 . 1 1 46 46 VAL H H 1 7.577 0.020 . 1 . . . . 255 Val HN . 25893 1 466 . 1 1 46 46 VAL HA H 1 4.502 0.020 . 1 . . . . 255 Val HA . 25893 1 467 . 1 1 46 46 VAL HB H 1 2.289 0.020 . 1 . . . . 255 Val HB . 25893 1 468 . 1 1 46 46 VAL HG11 H 1 0.965 0.020 . 2 . . . . 255 Val HG1* . 25893 1 469 . 1 1 46 46 VAL HG12 H 1 0.965 0.020 . 2 . . . . 255 Val HG1* . 25893 1 470 . 1 1 46 46 VAL HG13 H 1 0.965 0.020 . 2 . . . . 255 Val HG1* . 25893 1 471 . 1 1 46 46 VAL HG21 H 1 1.086 0.020 . 2 . . . . 255 Val HG2* . 25893 1 472 . 1 1 46 46 VAL HG22 H 1 1.086 0.020 . 2 . . . . 255 Val HG2* . 25893 1 473 . 1 1 46 46 VAL HG23 H 1 1.086 0.020 . 2 . . . . 255 Val HG2* . 25893 1 474 . 1 1 46 46 VAL CA C 13 62.350 0.100 . 1 . . . . 255 Val CA . 25893 1 475 . 1 1 46 46 VAL CB C 13 34.008 0.100 . 1 . . . . 255 Val CB . 25893 1 476 . 1 1 46 46 VAL CG1 C 13 21.651 0.100 . 2 . . . . 255 Val CG1 . 25893 1 477 . 1 1 46 46 VAL CG2 C 13 19.634 0.100 . 2 . . . . 255 Val CG2 . 25893 1 478 . 1 1 46 46 VAL N N 15 110.249 0.100 . 1 . . . . 255 Val N . 25893 1 479 . 1 1 47 47 CYS H H 1 8.255 0.020 . 1 . . . . 256 Cys HN . 25893 1 480 . 1 1 47 47 CYS HA H 1 4.978 0.020 . 1 . . . . 256 Cys HA . 25893 1 481 . 1 1 47 47 CYS HB2 H 1 2.930 0.020 . 2 . . . . 256 Cys HB2 . 25893 1 482 . 1 1 47 47 CYS HB3 H 1 3.111 0.020 . 2 . . . . 256 Cys HB3 . 25893 1 483 . 1 1 47 47 CYS CA C 13 58.740 0.100 . 1 . . . . 256 Cys CA . 25893 1 484 . 1 1 47 47 CYS CB C 13 30.693 0.100 . 1 . . . . 256 Cys CB . 25893 1 485 . 1 1 47 47 CYS N N 15 119.080 0.100 . 1 . . . . 256 Cys N . 25893 1 486 . 1 1 48 48 SER H H 1 9.299 0.020 . 1 . . . . 257 Ser HN . 25893 1 487 . 1 1 48 48 SER HA H 1 4.761 0.020 . 1 . . . . 257 Ser HA . 25893 1 488 . 1 1 48 48 SER HB2 H 1 4.049 0.020 . 2 . . . . 257 Ser HB2 . 25893 1 489 . 1 1 48 48 SER HB3 H 1 4.413 0.020 . 2 . . . . 257 Ser HB3 . 25893 1 490 . 1 1 48 48 SER CA C 13 56.646 0.100 . 1 . . . . 257 Ser CA . 25893 1 491 . 1 1 48 48 SER CB C 13 66.046 0.100 . 1 . . . . 257 Ser CB . 25893 1 492 . 1 1 48 48 SER N N 15 119.347 0.100 . 1 . . . . 257 Ser N . 25893 1 493 . 1 1 49 49 THR H H 1 8.956 0.020 . 1 . . . . 258 Thr HN . 25893 1 494 . 1 1 49 49 THR HA H 1 3.943 0.020 . 1 . . . . 258 Thr HA . 25893 1 495 . 1 1 49 49 THR HB H 1 4.156 0.020 . 1 . . . . 258 Thr HB . 25893 1 496 . 1 1 49 49 THR HG21 H 1 1.314 0.020 . 1 . . . . 258 Thr HG2* . 25893 1 497 . 1 1 49 49 THR HG22 H 1 1.314 0.020 . 1 . . . . 258 Thr HG2* . 25893 1 498 . 1 1 49 49 THR HG23 H 1 1.314 0.020 . 1 . . . . 258 Thr HG2* . 25893 1 499 . 1 1 49 49 THR CA C 13 67.525 0.100 . 1 . . . . 258 Thr CA . 25893 1 500 . 1 1 49 49 THR CB C 13 68.123 0.100 . 1 . . . . 258 Thr CB . 25893 1 501 . 1 1 49 49 THR CG2 C 13 23.311 0.100 . 1 . . . . 258 Thr CG2 . 25893 1 502 . 1 1 49 49 THR N N 15 117.859 0.100 . 1 . . . . 258 Thr N . 25893 1 503 . 1 1 50 50 ASN H H 1 8.436 0.020 . 1 . . . . 259 Asn HN . 25893 1 504 . 1 1 50 50 ASN HA H 1 4.394 0.020 . 1 . . . . 259 Asn HA . 25893 1 505 . 1 1 50 50 ASN HB2 H 1 2.753 0.020 . 2 . . . . 259 Asn HB2 . 25893 1 506 . 1 1 50 50 ASN HB3 H 1 2.851 0.020 . 2 . . . . 259 Asn HB3 . 25893 1 507 . 1 1 50 50 ASN HD21 H 1 7.778 0.020 . 1 . . . . 259 Asn HD21 . 25893 1 508 . 1 1 50 50 ASN HD22 H 1 7.046 0.020 . 1 . . . . 259 Asn HD22 . 25893 1 509 . 1 1 50 50 ASN CA C 13 57.089 0.100 . 1 . . . . 259 Asn CA . 25893 1 510 . 1 1 50 50 ASN CB C 13 38.289 0.100 . 1 . . . . 259 Asn CB . 25893 1 511 . 1 1 50 50 ASN N N 15 119.222 0.100 . 1 . . . . 259 Asn N . 25893 1 512 . 1 1 50 50 ASN ND2 N 15 114.346 0.100 . 1 . . . . 259 Asn ND2 . 25893 1 513 . 1 1 51 51 ASP H H 1 7.959 0.020 . 1 . . . . 260 Asp HN . 25893 1 514 . 1 1 51 51 ASP HA H 1 4.425 0.020 . 1 . . . . 260 Asp HA . 25893 1 515 . 1 1 51 51 ASP HB2 H 1 2.711 0.020 . 2 . . . . 260 Asp HB2 . 25893 1 516 . 1 1 51 51 ASP HB3 H 1 3.243 0.020 . 2 . . . . 260 Asp HB3 . 25893 1 517 . 1 1 51 51 ASP CA C 13 57.760 0.100 . 1 . . . . 260 Asp CA . 25893 1 518 . 1 1 51 51 ASP CB C 13 40.952 0.100 . 1 . . . . 260 Asp CB . 25893 1 519 . 1 1 51 51 ASP N N 15 121.242 0.100 . 1 . . . . 260 Asp N . 25893 1 520 . 1 1 52 52 LEU H H 1 7.761 0.020 . 1 . . . . 261 Leu HN . 25893 1 521 . 1 1 52 52 LEU HA H 1 4.044 0.020 . 1 . . . . 261 Leu HA . 25893 1 522 . 1 1 52 52 LEU HB2 H 1 1.357 0.020 . 2 . . . . 261 Leu HB2 . 25893 1 523 . 1 1 52 52 LEU HB3 H 1 2.219 0.020 . 2 . . . . 261 Leu HB3 . 25893 1 524 . 1 1 52 52 LEU HD11 H 1 0.889 0.020 . 2 . . . . 261 Leu HD1* . 25893 1 525 . 1 1 52 52 LEU HD12 H 1 0.889 0.020 . 2 . . . . 261 Leu HD1* . 25893 1 526 . 1 1 52 52 LEU HD13 H 1 0.889 0.020 . 2 . . . . 261 Leu HD1* . 25893 1 527 . 1 1 52 52 LEU HD21 H 1 0.908 0.020 . 2 . . . . 261 Leu HD2* . 25893 1 528 . 1 1 52 52 LEU HD22 H 1 0.908 0.020 . 2 . . . . 261 Leu HD2* . 25893 1 529 . 1 1 52 52 LEU HD23 H 1 0.908 0.020 . 2 . . . . 261 Leu HD2* . 25893 1 530 . 1 1 52 52 LEU HG H 1 2.002 0.020 . 1 . . . . 261 Leu HG . 25893 1 531 . 1 1 52 52 LEU CA C 13 58.156 0.100 . 1 . . . . 261 Leu CA . 25893 1 532 . 1 1 52 52 LEU CB C 13 41.873 0.100 . 1 . . . . 261 Leu CB . 25893 1 533 . 1 1 52 52 LEU CD1 C 13 27.097 0.100 . 2 . . . . 261 Leu CD1 . 25893 1 534 . 1 1 52 52 LEU CD2 C 13 24.328 0.100 . 2 . . . . 261 Leu CD2 . 25893 1 535 . 1 1 52 52 LEU N N 15 117.812 0.100 . 1 . . . . 261 Leu N . 25893 1 536 . 1 1 53 53 LYS H H 1 8.210 0.020 . 1 . . . . 262 Lys HN . 25893 1 537 . 1 1 53 53 LYS HA H 1 3.883 0.020 . 1 . . . . 262 Lys HA . 25893 1 538 . 1 1 53 53 LYS HB2 H 1 1.934 0.020 . 2 . . . . 262 Lys HB2 . 25893 1 539 . 1 1 53 53 LYS HB3 H 1 2.184 0.020 . 2 . . . . 262 Lys HB3 . 25893 1 540 . 1 1 53 53 LYS HD2 H 1 1.786 0.020 . 2 . . . . 262 Lys HD2 . 25893 1 541 . 1 1 53 53 LYS HD3 H 1 1.786 0.020 . 2 . . . . 262 Lys HD3 . 25893 1 542 . 1 1 53 53 LYS HE2 H 1 2.864 0.020 . 2 . . . . 262 Lys HE2 . 25893 1 543 . 1 1 53 53 LYS HE3 H 1 2.957 0.020 . 2 . . . . 262 Lys HE3 . 25893 1 544 . 1 1 53 53 LYS HG2 H 1 1.287 0.020 . 2 . . . . 262 Lys HG2 . 25893 1 545 . 1 1 53 53 LYS HG3 H 1 1.921 0.020 . 2 . . . . 262 Lys HG3 . 25893 1 546 . 1 1 53 53 LYS CA C 13 61.202 0.100 . 1 . . . . 262 Lys CA . 25893 1 547 . 1 1 53 53 LYS CB C 13 32.568 0.100 . 1 . . . . 262 Lys CB . 25893 1 548 . 1 1 53 53 LYS CD C 13 30.136 0.100 . 1 . . . . 262 Lys CD . 25893 1 549 . 1 1 53 53 LYS CE C 13 42.447 0.100 . 1 . . . . 262 Lys CE . 25893 1 550 . 1 1 53 53 LYS CG C 13 26.401 0.100 . 1 . . . . 262 Lys CG . 25893 1 551 . 1 1 53 53 LYS N N 15 117.986 0.100 . 1 . . . . 262 Lys N . 25893 1 552 . 1 1 54 54 GLU H H 1 8.030 0.020 . 1 . . . . 263 Glu HN . 25893 1 553 . 1 1 54 54 GLU HA H 1 4.043 0.020 . 1 . . . . 263 Glu HA . 25893 1 554 . 1 1 54 54 GLU HB2 H 1 2.245 0.020 . 2 . . . . 263 Glu HB2 . 25893 1 555 . 1 1 54 54 GLU HB3 H 1 2.376 0.020 . 2 . . . . 263 Glu HB3 . 25893 1 556 . 1 1 54 54 GLU HG2 H 1 2.380 0.020 . 2 . . . . 263 Glu HG2 . 25893 1 557 . 1 1 54 54 GLU HG3 H 1 2.546 0.020 . 2 . . . . 263 Glu HG3 . 25893 1 558 . 1 1 54 54 GLU CA C 13 59.604 0.100 . 1 . . . . 263 Glu CA . 25893 1 559 . 1 1 54 54 GLU CB C 13 29.092 0.100 . 1 . . . . 263 Glu CB . 25893 1 560 . 1 1 54 54 GLU CG C 13 36.380 0.100 . 1 . . . . 263 Glu CG . 25893 1 561 . 1 1 54 54 GLU N N 15 117.207 0.100 . 1 . . . . 263 Glu N . 25893 1 562 . 1 1 55 55 LEU H H 1 8.029 0.020 . 1 . . . . 264 Leu HN . 25893 1 563 . 1 1 55 55 LEU HA H 1 3.900 0.020 . 1 . . . . 264 Leu HA . 25893 1 564 . 1 1 55 55 LEU HB2 H 1 1.716 0.020 . 2 . . . . 264 Leu HB2 . 25893 1 565 . 1 1 55 55 LEU HB3 H 1 2.344 0.020 . 2 . . . . 264 Leu HB3 . 25893 1 566 . 1 1 55 55 LEU HD11 H 1 0.530 0.020 . 2 . . . . 264 Leu HD1* . 25893 1 567 . 1 1 55 55 LEU HD12 H 1 0.530 0.020 . 2 . . . . 264 Leu HD1* . 25893 1 568 . 1 1 55 55 LEU HD13 H 1 0.530 0.020 . 2 . . . . 264 Leu HD1* . 25893 1 569 . 1 1 55 55 LEU HD21 H 1 0.822 0.020 . 2 . . . . 264 Leu HD2* . 25893 1 570 . 1 1 55 55 LEU HD22 H 1 0.822 0.020 . 2 . . . . 264 Leu HD2* . 25893 1 571 . 1 1 55 55 LEU HD23 H 1 0.822 0.020 . 2 . . . . 264 Leu HD2* . 25893 1 572 . 1 1 55 55 LEU HG H 1 1.800 0.020 . 1 . . . . 264 Leu HG . 25893 1 573 . 1 1 55 55 LEU CA C 13 58.543 0.100 . 1 . . . . 264 Leu CA . 25893 1 574 . 1 1 55 55 LEU CB C 13 42.146 0.100 . 1 . . . . 264 Leu CB . 25893 1 575 . 1 1 55 55 LEU CD1 C 13 23.684 0.100 . 2 . . . . 264 Leu CD1 . 25893 1 576 . 1 1 55 55 LEU CD2 C 13 25.340 0.100 . 2 . . . . 264 Leu CD2 . 25893 1 577 . 1 1 55 55 LEU N N 15 120.222 0.100 . 1 . . . . 264 Leu N . 25893 1 578 . 1 1 56 56 LEU H H 1 7.806 0.020 . 1 . . . . 265 Leu HN . 25893 1 579 . 1 1 56 56 LEU HA H 1 4.032 0.020 . 1 . . . . 265 Leu HA . 25893 1 580 . 1 1 56 56 LEU HB2 H 1 1.431 0.020 . 2 . . . . 265 Leu HB2 . 25893 1 581 . 1 1 56 56 LEU HB3 H 1 2.377 0.020 . 2 . . . . 265 Leu HB3 . 25893 1 582 . 1 1 56 56 LEU HD11 H 1 1.021 0.020 . 2 . . . . 265 Leu HD1* . 25893 1 583 . 1 1 56 56 LEU HD12 H 1 1.021 0.020 . 2 . . . . 265 Leu HD1* . 25893 1 584 . 1 1 56 56 LEU HD13 H 1 1.021 0.020 . 2 . . . . 265 Leu HD1* . 25893 1 585 . 1 1 56 56 LEU HD21 H 1 1.224 0.020 . 2 . . . . 265 Leu HD2* . 25893 1 586 . 1 1 56 56 LEU HD22 H 1 1.224 0.020 . 2 . . . . 265 Leu HD2* . 25893 1 587 . 1 1 56 56 LEU HD23 H 1 1.224 0.020 . 2 . . . . 265 Leu HD2* . 25893 1 588 . 1 1 56 56 LEU CA C 13 59.019 0.100 . 1 . . . . 265 Leu CA . 25893 1 589 . 1 1 56 56 LEU CB C 13 40.714 0.100 . 1 . . . . 265 Leu CB . 25893 1 590 . 1 1 56 56 LEU CD1 C 13 22.677 0.100 . 2 . . . . 265 Leu CD1 . 25893 1 591 . 1 1 56 56 LEU CD2 C 13 27.447 0.100 . 2 . . . . 265 Leu CD2 . 25893 1 592 . 1 1 56 56 LEU N N 15 120.043 0.100 . 1 . . . . 265 Leu N . 25893 1 593 . 1 1 57 57 ILE H H 1 8.504 0.020 . 1 . . . . 266 Ile HN . 25893 1 594 . 1 1 57 57 ILE HA H 1 3.755 0.020 . 1 . . . . 266 Ile HA . 25893 1 595 . 1 1 57 57 ILE HB H 1 1.901 0.020 . 1 . . . . 266 Ile HB . 25893 1 596 . 1 1 57 57 ILE HD11 H 1 0.869 0.020 . 1 . . . . 266 Ile HD1* . 25893 1 597 . 1 1 57 57 ILE HD12 H 1 0.869 0.020 . 1 . . . . 266 Ile HD1* . 25893 1 598 . 1 1 57 57 ILE HD13 H 1 0.869 0.020 . 1 . . . . 266 Ile HD1* . 25893 1 599 . 1 1 57 57 ILE HG12 H 1 1.118 0.020 . 2 . . . . 266 Ile HG11 . 25893 1 600 . 1 1 57 57 ILE HG13 H 1 1.762 0.020 . 2 . . . . 266 Ile HG12 . 25893 1 601 . 1 1 57 57 ILE HG21 H 1 0.971 0.020 . 1 . . . . 266 Ile HG2* . 25893 1 602 . 1 1 57 57 ILE HG22 H 1 0.971 0.020 . 1 . . . . 266 Ile HG2* . 25893 1 603 . 1 1 57 57 ILE HG23 H 1 0.971 0.020 . 1 . . . . 266 Ile HG2* . 25893 1 604 . 1 1 57 57 ILE CA C 13 65.462 0.100 . 1 . . . . 266 Ile CA . 25893 1 605 . 1 1 57 57 ILE CB C 13 38.658 0.100 . 1 . . . . 266 Ile CB . 25893 1 606 . 1 1 57 57 ILE CD1 C 13 13.387 0.100 . 1 . . . . 266 Ile CD . 25893 1 607 . 1 1 57 57 ILE CG1 C 13 29.390 0.100 . 1 . . . . 266 Ile CG1 . 25893 1 608 . 1 1 57 57 ILE CG2 C 13 17.252 0.100 . 1 . . . . 266 Ile CG2 . 25893 1 609 . 1 1 57 57 ILE N N 15 121.552 0.100 . 1 . . . . 266 Ile N . 25893 1 610 . 1 1 58 58 PHE H H 1 8.845 0.020 . 1 . . . . 267 Phe HN . 25893 1 611 . 1 1 58 58 PHE HA H 1 4.139 0.020 . 1 . . . . 267 Phe HA . 25893 1 612 . 1 1 58 58 PHE HB2 H 1 2.769 0.020 . 2 . . . . 267 Phe HB2 . 25893 1 613 . 1 1 58 58 PHE HB3 H 1 3.356 0.020 . 2 . . . . 267 Phe HB3 . 25893 1 614 . 1 1 58 58 PHE HD1 H 1 7.044 0.020 . 1 . . . . 267 Phe HD* . 25893 1 615 . 1 1 58 58 PHE HD2 H 1 7.044 0.020 . 1 . . . . 267 Phe HD* . 25893 1 616 . 1 1 58 58 PHE HE1 H 1 7.116 0.020 . 1 . . . . 267 Phe HE1 . 25893 1 617 . 1 1 58 58 PHE HZ H 1 7.256 0.020 . 1 . . . . 267 Phe HZ . 25893 1 618 . 1 1 58 58 PHE CA C 13 61.519 0.100 . 1 . . . . 267 Phe CA . 25893 1 619 . 1 1 58 58 PHE CB C 13 39.455 0.100 . 1 . . . . 267 Phe CB . 25893 1 620 . 1 1 58 58 PHE CD1 C 13 131.731 0.100 . 1 . . . . 267 Phe CD* . 25893 1 621 . 1 1 58 58 PHE CD2 C 13 131.731 0.100 . 1 . . . . 267 Phe CD* . 25893 1 622 . 1 1 58 58 PHE CE1 C 13 131.350 0.100 . 1 . . . . 267 Phe CE* . 25893 1 623 . 1 1 58 58 PHE CE2 C 13 131.350 0.100 . 1 . . . . 267 Phe CE* . 25893 1 624 . 1 1 58 58 PHE CZ C 13 129.862 0.100 . 1 . . . . 267 Phe CZ . 25893 1 625 . 1 1 58 58 PHE N N 15 123.318 0.100 . 1 . . . . 267 Phe N . 25893 1 626 . 1 1 59 59 ASN H H 1 7.083 0.020 . 1 . . . . 268 Asn HN . 25893 1 627 . 1 1 59 59 ASN HA H 1 4.245 0.020 . 1 . . . . 268 Asn HA . 25893 1 628 . 1 1 59 59 ASN HB2 H 1 2.004 0.020 . 2 . . . . 268 Asn HB2 . 25893 1 629 . 1 1 59 59 ASN HB3 H 1 2.578 0.020 . 2 . . . . 268 Asn HB3 . 25893 1 630 . 1 1 59 59 ASN HD21 H 1 6.481 0.020 . 1 . . . . 268 Asn HD21 . 25893 1 631 . 1 1 59 59 ASN HD22 H 1 7.230 0.020 . 1 . . . . 268 Asn HD22 . 25893 1 632 . 1 1 59 59 ASN CA C 13 54.202 0.100 . 1 . . . . 268 Asn CA . 25893 1 633 . 1 1 59 59 ASN CB C 13 40.178 0.100 . 1 . . . . 268 Asn CB . 25893 1 634 . 1 1 59 59 ASN N N 15 113.256 0.100 . 1 . . . . 268 Asn N . 25893 1 635 . 1 1 59 59 ASN ND2 N 15 114.422 0.100 . 1 . . . . 268 Asn ND2 . 25893 1 636 . 1 1 60 60 LYS H H 1 8.314 0.020 . 1 . . . . 269 Lys HN . 25893 1 637 . 1 1 60 60 LYS HA H 1 3.985 0.020 . 1 . . . . 269 Lys HA . 25893 1 638 . 1 1 60 60 LYS HB2 H 1 1.983 0.020 . 2 . . . . 269 Lys HB2 . 25893 1 639 . 1 1 60 60 LYS HB3 H 1 1.988 0.020 . 2 . . . . 269 Lys HB3 . 25893 1 640 . 1 1 60 60 LYS HD2 H 1 1.575 0.020 . 2 . . . . 269 Lys HD2 . 25893 1 641 . 1 1 60 60 LYS HD3 H 1 1.595 0.020 . 2 . . . . 269 Lys HD3 . 25893 1 642 . 1 1 60 60 LYS HE2 H 1 2.914 0.020 . 2 . . . . 269 Lys HE2 . 25893 1 643 . 1 1 60 60 LYS HE3 H 1 2.914 0.020 . 2 . . . . 269 Lys HE3 . 25893 1 644 . 1 1 60 60 LYS HG2 H 1 1.207 0.020 . 2 . . . . 269 Lys HG2 . 25893 1 645 . 1 1 60 60 LYS HG3 H 1 1.325 0.020 . 2 . . . . 269 Lys HG3 . 25893 1 646 . 1 1 60 60 LYS CA C 13 57.106 0.100 . 1 . . . . 269 Lys CA . 25893 1 647 . 1 1 60 60 LYS CB C 13 28.371 0.100 . 1 . . . . 269 Lys CB . 25893 1 648 . 1 1 60 60 LYS CD C 13 28.634 0.100 . 1 . . . . 269 Lys CD . 25893 1 649 . 1 1 60 60 LYS CE C 13 42.410 0.100 . 1 . . . . 269 Lys CE . 25893 1 650 . 1 1 60 60 LYS CG C 13 25.041 0.100 . 1 . . . . 269 Lys CG . 25893 1 651 . 1 1 60 60 LYS N N 15 118.190 0.100 . 1 . . . . 269 Lys N . 25893 1 652 . 1 1 61 61 GLN H H 1 8.330 0.020 . 1 . . . . 270 Gln HN . 25893 1 653 . 1 1 61 61 GLN HA H 1 4.710 0.020 . 1 . . . . 270 Gln HA . 25893 1 654 . 1 1 61 61 GLN HB2 H 1 1.851 0.020 . 2 . . . . 270 Gln HB2 . 25893 1 655 . 1 1 61 61 GLN HB3 H 1 2.266 0.020 . 2 . . . . 270 Gln HB3 . 25893 1 656 . 1 1 61 61 GLN HG2 H 1 2.270 0.020 . 2 . . . . 270 Gln HG2 . 25893 1 657 . 1 1 61 61 GLN HG3 H 1 2.477 0.020 . 2 . . . . 270 Gln HG3 . 25893 1 658 . 1 1 61 61 GLN CA C 13 52.187 0.100 . 1 . . . . 270 Gln CA . 25893 1 659 . 1 1 61 61 GLN CB C 13 31.498 0.100 . 1 . . . . 270 Gln CB . 25893 1 660 . 1 1 61 61 GLN CG C 13 33.303 0.100 . 1 . . . . 270 Gln CG . 25893 1 661 . 1 1 61 61 GLN N N 15 116.556 0.100 . 1 . . . . 270 Gln N . 25893 1 662 . 1 1 62 62 GLN H H 1 8.155 0.020 . 1 . . . . 271 Gln HN . 25893 1 663 . 1 1 62 62 GLN HA H 1 4.123 0.020 . 1 . . . . 271 Gln HA . 25893 1 664 . 1 1 62 62 GLN HB2 H 1 1.842 0.020 . 2 . . . . 271 Gln HB2 . 25893 1 665 . 1 1 62 62 GLN HB3 H 1 1.993 0.020 . 2 . . . . 271 Gln HB3 . 25893 1 666 . 1 1 62 62 GLN HE21 H 1 7.670 0.020 . 1 . . . . 271 Gln HE21 . 25893 1 667 . 1 1 62 62 GLN HE22 H 1 6.910 0.020 . 1 . . . . 271 Gln HE22 . 25893 1 668 . 1 1 62 62 GLN HG2 H 1 2.301 0.020 . 2 . . . . 271 Gln HG2 . 25893 1 669 . 1 1 62 62 GLN HG3 H 1 2.576 0.020 . 2 . . . . 271 Gln HG3 . 25893 1 670 . 1 1 62 62 GLN CA C 13 56.104 0.100 . 1 . . . . 271 Gln CA . 25893 1 671 . 1 1 62 62 GLN CB C 13 29.665 0.100 . 1 . . . . 271 Gln CB . 25893 1 672 . 1 1 62 62 GLN CG C 13 34.526 0.100 . 1 . . . . 271 Gln CG . 25893 1 673 . 1 1 62 62 GLN N N 15 120.958 0.100 . 1 . . . . 271 Gln N . 25893 1 674 . 1 1 62 62 GLN NE2 N 15 112.643 0.100 . 1 . . . . 271 Gln NE2 . 25893 1 675 . 1 1 63 63 VAL H H 1 8.576 0.020 . 1 . . . . 272 Val HN . 25893 1 676 . 1 1 63 63 VAL HA H 1 4.402 0.020 . 1 . . . . 272 Val HA . 25893 1 677 . 1 1 63 63 VAL HB H 1 2.117 0.020 . 1 . . . . 272 Val HB . 25893 1 678 . 1 1 63 63 VAL HG11 H 1 1.059 0.020 . 2 . . . . 272 Val HG1* . 25893 1 679 . 1 1 63 63 VAL HG12 H 1 1.059 0.020 . 2 . . . . 272 Val HG1* . 25893 1 680 . 1 1 63 63 VAL HG13 H 1 1.059 0.020 . 2 . . . . 272 Val HG1* . 25893 1 681 . 1 1 63 63 VAL HG21 H 1 1.062 0.020 . 2 . . . . 272 Val HG2* . 25893 1 682 . 1 1 63 63 VAL HG22 H 1 1.062 0.020 . 2 . . . . 272 Val HG2* . 25893 1 683 . 1 1 63 63 VAL HG23 H 1 1.062 0.020 . 2 . . . . 272 Val HG2* . 25893 1 684 . 1 1 63 63 VAL CA C 13 59.904 0.100 . 1 . . . . 272 Val CA . 25893 1 685 . 1 1 63 63 VAL CB C 13 32.463 0.100 . 1 . . . . 272 Val CB . 25893 1 686 . 1 1 63 63 VAL CG1 C 13 22.174 0.100 . 2 . . . . 272 Val CG1 . 25893 1 687 . 1 1 63 63 VAL CG2 C 13 22.181 0.100 . 2 . . . . 272 Val CG2 . 25893 1 688 . 1 1 63 63 VAL N N 15 124.077 0.100 . 1 . . . . 272 Val N . 25893 1 689 . 1 1 64 64 PRO HA H 1 4.783 0.020 . 1 . . . . 273 Pro HA . 25893 1 690 . 1 1 64 64 PRO HB2 H 1 2.173 0.020 . 2 . . . . 273 Pro HB2 . 25893 1 691 . 1 1 64 64 PRO HB3 H 1 2.179 0.020 . 2 . . . . 273 Pro HB3 . 25893 1 692 . 1 1 64 64 PRO HD2 H 1 3.640 0.020 . 2 . . . . 273 Pro HD2 . 25893 1 693 . 1 1 64 64 PRO HD3 H 1 3.966 0.020 . 2 . . . . 273 Pro HD3 . 25893 1 694 . 1 1 64 64 PRO HG2 H 1 1.664 0.020 . 2 . . . . 273 Pro HG2 . 25893 1 695 . 1 1 64 64 PRO HG3 H 1 1.800 0.020 . 2 . . . . 273 Pro HG3 . 25893 1 696 . 1 1 64 64 PRO CA C 13 62.075 0.100 . 1 . . . . 273 Pro CA . 25893 1 697 . 1 1 64 64 PRO CB C 13 32.239 0.100 . 1 . . . . 273 Pro CB . 25893 1 698 . 1 1 64 64 PRO CD C 13 50.587 0.100 . 1 . . . . 273 Pro CD . 25893 1 699 . 1 1 64 64 PRO CG C 13 26.151 0.100 . 1 . . . . 273 Pro CG . 25893 1 700 . 1 1 65 65 SER H H 1 8.243 0.020 . 1 . . . . 274 Ser HN . 25893 1 701 . 1 1 65 65 SER HA H 1 4.374 0.020 . 1 . . . . 274 Ser HA . 25893 1 702 . 1 1 65 65 SER HB2 H 1 3.870 0.020 . 2 . . . . 274 Ser HB2 . 25893 1 703 . 1 1 65 65 SER HB3 H 1 3.874 0.020 . 2 . . . . 274 Ser HB3 . 25893 1 704 . 1 1 65 65 SER CA C 13 59.434 0.100 . 1 . . . . 274 Ser CA . 25893 1 705 . 1 1 65 65 SER CB C 13 63.899 0.100 . 1 . . . . 274 Ser CB . 25893 1 706 . 1 1 65 65 SER N N 15 111.499 0.100 . 1 . . . . 274 Ser N . 25893 1 707 . 1 1 66 66 GLY H H 1 8.214 0.020 . 1 . . . . 275 Gly HN . 25893 1 708 . 1 1 66 66 GLY HA2 H 1 4.030 0.020 . 2 . . . . 275 Gly HA2 . 25893 1 709 . 1 1 66 66 GLY HA3 H 1 4.200 0.020 . 2 . . . . 275 Gly HA3 . 25893 1 710 . 1 1 66 66 GLY CA C 13 45.075 0.100 . 1 . . . . 275 Gly CA . 25893 1 711 . 1 1 66 66 GLY N N 15 111.918 0.100 . 1 . . . . 275 Gly N . 25893 1 712 . 1 1 67 67 GLU H H 1 8.789 0.020 . 1 . . . . 276 Glu HN . 25893 1 713 . 1 1 67 67 GLU HA H 1 3.879 0.020 . 1 . . . . 276 Glu HA . 25893 1 714 . 1 1 67 67 GLU HB2 H 1 2.100 0.020 . 2 . . . . 276 Glu HB2 . 25893 1 715 . 1 1 67 67 GLU HB3 H 1 2.137 0.020 . 2 . . . . 276 Glu HB3 . 25893 1 716 . 1 1 67 67 GLU HG2 H 1 2.316 0.020 . 2 . . . . 276 Glu HG2 . 25893 1 717 . 1 1 67 67 GLU HG3 H 1 2.389 0.020 . 2 . . . . 276 Glu HG3 . 25893 1 718 . 1 1 67 67 GLU CA C 13 60.663 0.100 . 1 . . . . 276 Glu CA . 25893 1 719 . 1 1 67 67 GLU CB C 13 29.867 0.100 . 1 . . . . 276 Glu CB . 25893 1 720 . 1 1 67 67 GLU CG C 13 37.109 0.100 . 1 . . . . 276 Glu CG . 25893 1 721 . 1 1 67 67 GLU N N 15 124.507 0.100 . 1 . . . . 276 Glu N . 25893 1 722 . 1 1 68 68 SER H H 1 7.912 0.020 . 1 . . . . 277 Ser HN . 25893 1 723 . 1 1 68 68 SER HA H 1 4.187 0.020 . 1 . . . . 277 Ser HA . 25893 1 724 . 1 1 68 68 SER HB2 H 1 3.965 0.020 . 2 . . . . 277 Ser HB2 . 25893 1 725 . 1 1 68 68 SER HB3 H 1 3.994 0.020 . 2 . . . . 277 Ser HB3 . 25893 1 726 . 1 1 68 68 SER CA C 13 61.787 0.100 . 1 . . . . 277 Ser CA . 25893 1 727 . 1 1 68 68 SER CB C 13 62.410 0.100 . 1 . . . . 277 Ser CB . 25893 1 728 . 1 1 68 68 SER N N 15 118.359 0.100 . 1 . . . . 277 Ser N . 25893 1 729 . 1 1 69 69 ALA H H 1 7.574 0.020 . 1 . . . . 278 Ala HN . 25893 1 730 . 1 1 69 69 ALA HA H 1 4.366 0.020 . 1 . . . . 278 Ala HA . 25893 1 731 . 1 1 69 69 ALA HB1 H 1 1.483 0.020 . 1 . . . . 278 Ala HB* . 25893 1 732 . 1 1 69 69 ALA HB2 H 1 1.483 0.020 . 1 . . . . 278 Ala HB* . 25893 1 733 . 1 1 69 69 ALA HB3 H 1 1.483 0.020 . 1 . . . . 278 Ala HB* . 25893 1 734 . 1 1 69 69 ALA CA C 13 54.840 0.100 . 1 . . . . 278 Ala CA . 25893 1 735 . 1 1 69 69 ALA CB C 13 18.821 0.100 . 1 . . . . 278 Ala CB . 25893 1 736 . 1 1 69 69 ALA N N 15 124.793 0.100 . 1 . . . . 278 Ala N . 25893 1 737 . 1 1 70 70 ILE H H 1 7.967 0.020 . 1 . . . . 279 Ile HN . 25893 1 738 . 1 1 70 70 ILE HA H 1 3.343 0.020 . 1 . . . . 279 Ile HA . 25893 1 739 . 1 1 70 70 ILE HB H 1 1.961 0.020 . 1 . . . . 279 Ile HB . 25893 1 740 . 1 1 70 70 ILE HD11 H 1 0.799 0.020 . 1 . . . . 279 Ile HD1* . 25893 1 741 . 1 1 70 70 ILE HD12 H 1 0.799 0.020 . 1 . . . . 279 Ile HD1* . 25893 1 742 . 1 1 70 70 ILE HD13 H 1 0.799 0.020 . 1 . . . . 279 Ile HD1* . 25893 1 743 . 1 1 70 70 ILE HG12 H 1 0.707 0.020 . 2 . . . . 279 Ile HG11 . 25893 1 744 . 1 1 70 70 ILE HG13 H 1 1.909 0.020 . 2 . . . . 279 Ile HG12 . 25893 1 745 . 1 1 70 70 ILE HG21 H 1 0.906 0.020 . 1 . . . . 279 Ile HG2* . 25893 1 746 . 1 1 70 70 ILE HG22 H 1 0.906 0.020 . 1 . . . . 279 Ile HG2* . 25893 1 747 . 1 1 70 70 ILE HG23 H 1 0.906 0.020 . 1 . . . . 279 Ile HG2* . 25893 1 748 . 1 1 70 70 ILE CA C 13 66.813 0.100 . 1 . . . . 279 Ile CA . 25893 1 749 . 1 1 70 70 ILE CB C 13 38.513 0.100 . 1 . . . . 279 Ile CB . 25893 1 750 . 1 1 70 70 ILE CD1 C 13 14.406 0.100 . 1 . . . . 279 Ile CD . 25893 1 751 . 1 1 70 70 ILE CG1 C 13 30.399 0.100 . 1 . . . . 279 Ile CG1 . 25893 1 752 . 1 1 70 70 ILE CG2 C 13 18.708 0.100 . 1 . . . . 279 Ile CG2 . 25893 1 753 . 1 1 70 70 ILE N N 15 119.161 0.100 . 1 . . . . 279 Ile N . 25893 1 754 . 1 1 71 71 LEU H H 1 7.805 0.020 . 1 . . . . 280 Leu HN . 25893 1 755 . 1 1 71 71 LEU HA H 1 3.903 0.020 . 1 . . . . 280 Leu HA . 25893 1 756 . 1 1 71 71 LEU HB2 H 1 1.649 0.020 . 2 . . . . 280 Leu HB2 . 25893 1 757 . 1 1 71 71 LEU HB3 H 1 1.802 0.020 . 2 . . . . 280 Leu HB3 . 25893 1 758 . 1 1 71 71 LEU HD11 H 1 0.928 0.020 . 2 . . . . 280 Leu HD1* . 25893 1 759 . 1 1 71 71 LEU HD12 H 1 0.928 0.020 . 2 . . . . 280 Leu HD1* . 25893 1 760 . 1 1 71 71 LEU HD13 H 1 0.928 0.020 . 2 . . . . 280 Leu HD1* . 25893 1 761 . 1 1 71 71 LEU HD21 H 1 0.960 0.020 . 2 . . . . 280 Leu HD2* . 25893 1 762 . 1 1 71 71 LEU HD22 H 1 0.960 0.020 . 2 . . . . 280 Leu HD2* . 25893 1 763 . 1 1 71 71 LEU HD23 H 1 0.960 0.020 . 2 . . . . 280 Leu HD2* . 25893 1 764 . 1 1 71 71 LEU CA C 13 58.717 0.100 . 1 . . . . 280 Leu CA . 25893 1 765 . 1 1 71 71 LEU CB C 13 42.284 0.100 . 1 . . . . 280 Leu CB . 25893 1 766 . 1 1 71 71 LEU CD1 C 13 26.147 0.100 . 2 . . . . 280 Leu CD1 . 25893 1 767 . 1 1 71 71 LEU CD2 C 13 25.238 0.100 . 2 . . . . 280 Leu CD2 . 25893 1 768 . 1 1 71 71 LEU N N 15 118.732 0.100 . 1 . . . . 280 Leu N . 25893 1 769 . 1 1 72 72 ASP H H 1 8.104 0.020 . 1 . . . . 281 Asp HN . 25893 1 770 . 1 1 72 72 ASP HA H 1 4.288 0.020 . 1 . . . . 281 Asp HA . 25893 1 771 . 1 1 72 72 ASP HB2 H 1 2.763 0.020 . 2 . . . . 281 Asp HB2 . 25893 1 772 . 1 1 72 72 ASP HB3 H 1 2.907 0.020 . 2 . . . . 281 Asp HB3 . 25893 1 773 . 1 1 72 72 ASP CA C 13 58.232 0.100 . 1 . . . . 281 Asp CA . 25893 1 774 . 1 1 72 72 ASP CB C 13 41.040 0.100 . 1 . . . . 281 Asp CB . 25893 1 775 . 1 1 72 72 ASP N N 15 117.818 0.100 . 1 . . . . 281 Asp N . 25893 1 776 . 1 1 73 73 ARG H H 1 8.240 0.020 . 1 . . . . 282 Arg HN . 25893 1 777 . 1 1 73 73 ARG HA H 1 4.276 0.020 . 1 . . . . 282 Arg HA . 25893 1 778 . 1 1 73 73 ARG HB2 H 1 2.034 0.020 . 2 . . . . 282 Arg HB2 . 25893 1 779 . 1 1 73 73 ARG HB3 H 1 2.103 0.020 . 2 . . . . 282 Arg HB3 . 25893 1 780 . 1 1 73 73 ARG HD2 H 1 3.677 0.020 . 2 . . . . 282 Arg HD2 . 25893 1 781 . 1 1 73 73 ARG HD3 H 1 3.677 0.020 . 2 . . . . 282 Arg HD3 . 25893 1 782 . 1 1 73 73 ARG HG2 H 1 2.028 0.020 . 2 . . . . 282 Arg HG2 . 25893 1 783 . 1 1 73 73 ARG HG3 H 1 2.207 0.020 . 2 . . . . 282 Arg HG3 . 25893 1 784 . 1 1 73 73 ARG CA C 13 59.295 0.100 . 1 . . . . 282 Arg CA . 25893 1 785 . 1 1 73 73 ARG CB C 13 30.426 0.100 . 1 . . . . 282 Arg CB . 25893 1 786 . 1 1 73 73 ARG CD C 13 43.810 0.100 . 1 . . . . 282 Arg CD . 25893 1 787 . 1 1 73 73 ARG CG C 13 27.401 0.100 . 1 . . . . 282 Arg CG . 25893 1 788 . 1 1 73 73 ARG N N 15 118.382 0.100 . 1 . . . . 282 Arg N . 25893 1 789 . 1 1 74 74 VAL H H 1 8.444 0.020 . 1 . . . . 283 Val HN . 25893 1 790 . 1 1 74 74 VAL HA H 1 3.511 0.020 . 1 . . . . 283 Val HA . 25893 1 791 . 1 1 74 74 VAL HB H 1 2.063 0.020 . 1 . . . . 283 Val HB . 25893 1 792 . 1 1 74 74 VAL HG11 H 1 0.908 0.020 . 2 . . . . 283 Val HG1* . 25893 1 793 . 1 1 74 74 VAL HG12 H 1 0.908 0.020 . 2 . . . . 283 Val HG1* . 25893 1 794 . 1 1 74 74 VAL HG13 H 1 0.908 0.020 . 2 . . . . 283 Val HG1* . 25893 1 795 . 1 1 74 74 VAL HG21 H 1 1.263 0.020 . 2 . . . . 283 Val HG2* . 25893 1 796 . 1 1 74 74 VAL HG22 H 1 1.263 0.020 . 2 . . . . 283 Val HG2* . 25893 1 797 . 1 1 74 74 VAL HG23 H 1 1.263 0.020 . 2 . . . . 283 Val HG2* . 25893 1 798 . 1 1 74 74 VAL CA C 13 66.918 0.100 . 1 . . . . 283 Val CA . 25893 1 799 . 1 1 74 74 VAL CB C 13 31.388 0.100 . 1 . . . . 283 Val CB . 25893 1 800 . 1 1 74 74 VAL CG1 C 13 23.324 0.100 . 2 . . . . 283 Val CG1 . 25893 1 801 . 1 1 74 74 VAL CG2 C 13 25.079 0.100 . 2 . . . . 283 Val CG2 . 25893 1 802 . 1 1 74 74 VAL N N 15 121.981 0.100 . 1 . . . . 283 Val N . 25893 1 803 . 1 1 75 75 ALA H H 1 8.184 0.020 . 1 . . . . 284 Ala HN . 25893 1 804 . 1 1 75 75 ALA HA H 1 3.618 0.020 . 1 . . . . 284 Ala HA . 25893 1 805 . 1 1 75 75 ALA HB1 H 1 1.282 0.020 . 1 . . . . 284 Ala HB* . 25893 1 806 . 1 1 75 75 ALA HB2 H 1 1.282 0.020 . 1 . . . . 284 Ala HB* . 25893 1 807 . 1 1 75 75 ALA HB3 H 1 1.282 0.020 . 1 . . . . 284 Ala HB* . 25893 1 808 . 1 1 75 75 ALA CA C 13 56.090 0.100 . 1 . . . . 284 Ala CA . 25893 1 809 . 1 1 75 75 ALA CB C 13 18.554 0.100 . 1 . . . . 284 Ala CB . 25893 1 810 . 1 1 75 75 ALA N N 15 120.895 0.100 . 1 . . . . 284 Ala N . 25893 1 811 . 1 1 76 76 ASP H H 1 7.556 0.020 . 1 . . . . 285 Asp HN . 25893 1 812 . 1 1 76 76 ASP HA H 1 4.114 0.020 . 1 . . . . 285 Asp HA . 25893 1 813 . 1 1 76 76 ASP HB2 H 1 2.723 0.020 . 2 . . . . 285 Asp HB2 . 25893 1 814 . 1 1 76 76 ASP HB3 H 1 2.780 0.020 . 2 . . . . 285 Asp HB3 . 25893 1 815 . 1 1 76 76 ASP CA C 13 57.404 0.100 . 1 . . . . 285 Asp CA . 25893 1 816 . 1 1 76 76 ASP CB C 13 43.260 0.100 . 1 . . . . 285 Asp CB . 25893 1 817 . 1 1 76 76 ASP N N 15 114.100 0.100 . 1 . . . . 285 Asp N . 25893 1 818 . 1 1 77 77 GLY H H 1 7.510 0.020 . 1 . . . . 286 Gly HN . 25893 1 819 . 1 1 77 77 GLY HA2 H 1 3.080 0.020 . 2 . . . . 286 Gly HA2 . 25893 1 820 . 1 1 77 77 GLY HA3 H 1 3.799 0.020 . 2 . . . . 286 Gly HA3 . 25893 1 821 . 1 1 77 77 GLY CA C 13 46.403 0.100 . 1 . . . . 286 Gly CA . 25893 1 822 . 1 1 77 77 GLY N N 15 105.588 0.100 . 1 . . . . 286 Gly N . 25893 1 823 . 1 1 78 78 MET H H 1 7.702 0.020 . 1 . . . . 287 Met HN . 25893 1 824 . 1 1 78 78 MET HA H 1 2.845 0.020 . 1 . . . . 287 Met HA . 25893 1 825 . 1 1 78 78 MET HB2 H 1 1.387 0.020 . 2 . . . . 287 Met HB2 . 25893 1 826 . 1 1 78 78 MET HB3 H 1 1.441 0.020 . 2 . . . . 287 Met HB3 . 25893 1 827 . 1 1 78 78 MET HE1 H 1 1.893 0.020 . 1 . . . . 287 Met HE* . 25893 1 828 . 1 1 78 78 MET HE2 H 1 1.893 0.020 . 1 . . . . 287 Met HE* . 25893 1 829 . 1 1 78 78 MET HE3 H 1 1.893 0.020 . 1 . . . . 287 Met HE* . 25893 1 830 . 1 1 78 78 MET HG2 H 1 1.528 0.020 . 2 . . . . 287 Met HG2 . 25893 1 831 . 1 1 78 78 MET HG3 H 1 1.823 0.020 . 2 . . . . 287 Met HG3 . 25893 1 832 . 1 1 78 78 MET CA C 13 58.852 0.100 . 1 . . . . 287 Met CA . 25893 1 833 . 1 1 78 78 MET CB C 13 33.052 0.100 . 1 . . . . 287 Met CB . 25893 1 834 . 1 1 78 78 MET CE C 13 17.288 0.100 . 1 . . . . 287 Met CE . 25893 1 835 . 1 1 78 78 MET CG C 13 32.319 0.100 . 1 . . . . 287 Met CG . 25893 1 836 . 1 1 78 78 MET N N 15 117.880 0.100 . 1 . . . . 287 Met N . 25893 1 837 . 1 1 79 79 VAL H H 1 7.335 0.020 . 1 . . . . 288 Val HN . 25893 1 838 . 1 1 79 79 VAL HA H 1 3.388 0.020 . 1 . . . . 288 Val HA . 25893 1 839 . 1 1 79 79 VAL HB H 1 0.991 0.020 . 1 . . . . 288 Val HB . 25893 1 840 . 1 1 79 79 VAL HG11 H 1 -0.288 0.020 . 2 . . . . 288 Val HG1* . 25893 1 841 . 1 1 79 79 VAL HG12 H 1 -0.288 0.020 . 2 . . . . 288 Val HG1* . 25893 1 842 . 1 1 79 79 VAL HG13 H 1 -0.288 0.020 . 2 . . . . 288 Val HG1* . 25893 1 843 . 1 1 79 79 VAL HG21 H 1 0.539 0.020 . 2 . . . . 288 Val HG2* . 25893 1 844 . 1 1 79 79 VAL HG22 H 1 0.539 0.020 . 2 . . . . 288 Val HG2* . 25893 1 845 . 1 1 79 79 VAL HG23 H 1 0.539 0.020 . 2 . . . . 288 Val HG2* . 25893 1 846 . 1 1 79 79 VAL CA C 13 65.434 0.100 . 1 . . . . 288 Val CA . 25893 1 847 . 1 1 79 79 VAL CB C 13 32.530 0.100 . 1 . . . . 288 Val CB . 25893 1 848 . 1 1 79 79 VAL CG1 C 13 21.381 0.100 . 2 . . . . 288 Val CG1 . 25893 1 849 . 1 1 79 79 VAL CG2 C 13 23.959 0.100 . 2 . . . . 288 Val CG2 . 25893 1 850 . 1 1 79 79 VAL N N 15 115.587 0.100 . 1 . . . . 288 Val N . 25893 1 851 . 1 1 80 80 PHE H H 1 7.822 0.020 . 1 . . . . 289 Phe HN . 25893 1 852 . 1 1 80 80 PHE HA H 1 4.879 0.020 . 1 . . . . 289 Phe HA . 25893 1 853 . 1 1 80 80 PHE HB2 H 1 3.109 0.020 . 2 . . . . 289 Phe HB2 . 25893 1 854 . 1 1 80 80 PHE HB3 H 1 3.242 0.020 . 2 . . . . 289 Phe HB3 . 25893 1 855 . 1 1 80 80 PHE HD1 H 1 7.443 0.020 . 1 . . . . 289 Phe HD* . 25893 1 856 . 1 1 80 80 PHE HD2 H 1 7.443 0.020 . 1 . . . . 289 Phe HD* . 25893 1 857 . 1 1 80 80 PHE HE1 H 1 6.930 0.020 . 1 . . . . 289 Phe HE1 . 25893 1 858 . 1 1 80 80 PHE HZ H 1 6.703 0.020 . 1 . . . . 289 Phe HZ . 25893 1 859 . 1 1 80 80 PHE CA C 13 58.476 0.100 . 1 . . . . 289 Phe CA . 25893 1 860 . 1 1 80 80 PHE CB C 13 39.493 0.100 . 1 . . . . 289 Phe CB . 25893 1 861 . 1 1 80 80 PHE CD1 C 13 132.617 0.100 . 1 . . . . 289 Phe CD* . 25893 1 862 . 1 1 80 80 PHE CD2 C 13 132.617 0.100 . 1 . . . . 289 Phe CD* . 25893 1 863 . 1 1 80 80 PHE CE1 C 13 130.403 0.100 . 1 . . . . 289 Phe CE* . 25893 1 864 . 1 1 80 80 PHE CE2 C 13 130.403 0.100 . 1 . . . . 289 Phe CE* . 25893 1 865 . 1 1 80 80 PHE CZ C 13 128.103 0.100 . 1 . . . . 289 Phe CZ . 25893 1 866 . 1 1 80 80 PHE N N 15 114.520 0.100 . 1 . . . . 289 Phe N . 25893 1 867 . 1 1 81 81 GLY H H 1 7.904 0.020 . 1 . . . . 290 Gly HN . 25893 1 868 . 1 1 81 81 GLY HA2 H 1 4.085 0.020 . 2 . . . . 290 Gly HA2 . 25893 1 869 . 1 1 81 81 GLY HA3 H 1 4.693 0.020 . 2 . . . . 290 Gly HA3 . 25893 1 870 . 1 1 81 81 GLY CA C 13 44.367 0.100 . 1 . . . . 290 Gly CA . 25893 1 871 . 1 1 81 81 GLY N N 15 108.712 0.100 . 1 . . . . 290 Gly N . 25893 1 872 . 1 1 82 82 ALA H H 1 8.360 0.020 . 1 . . . . 291 Ala HN . 25893 1 873 . 1 1 82 82 ALA HA H 1 4.804 0.020 . 1 . . . . 291 Ala HA . 25893 1 874 . 1 1 82 82 ALA HB1 H 1 1.467 0.020 . 1 . . . . 291 Ala HB* . 25893 1 875 . 1 1 82 82 ALA HB2 H 1 1.467 0.020 . 1 . . . . 291 Ala HB* . 25893 1 876 . 1 1 82 82 ALA HB3 H 1 1.467 0.020 . 1 . . . . 291 Ala HB* . 25893 1 877 . 1 1 82 82 ALA CA C 13 51.666 0.100 . 1 . . . . 291 Ala CA . 25893 1 878 . 1 1 82 82 ALA CB C 13 19.997 0.100 . 1 . . . . 291 Ala CB . 25893 1 879 . 1 1 82 82 ALA N N 15 124.562 0.100 . 1 . . . . 291 Ala N . 25893 1 880 . 1 1 83 83 LEU H H 1 8.407 0.020 . 1 . . . . 292 Leu HN . 25893 1 881 . 1 1 83 83 LEU HA H 1 4.165 0.020 . 1 . . . . 292 Leu HA . 25893 1 882 . 1 1 83 83 LEU HB2 H 1 1.633 0.020 . 2 . . . . 292 Leu HB2 . 25893 1 883 . 1 1 83 83 LEU HB3 H 1 2.163 0.020 . 2 . . . . 292 Leu HB3 . 25893 1 884 . 1 1 83 83 LEU HD11 H 1 0.450 0.020 . 2 . . . . 292 Leu HD1* . 25893 1 885 . 1 1 83 83 LEU HD12 H 1 0.450 0.020 . 2 . . . . 292 Leu HD1* . 25893 1 886 . 1 1 83 83 LEU HD13 H 1 0.450 0.020 . 2 . . . . 292 Leu HD1* . 25893 1 887 . 1 1 83 83 LEU HD21 H 1 1.108 0.020 . 2 . . . . 292 Leu HD2* . 25893 1 888 . 1 1 83 83 LEU HD22 H 1 1.108 0.020 . 2 . . . . 292 Leu HD2* . 25893 1 889 . 1 1 83 83 LEU HD23 H 1 1.108 0.020 . 2 . . . . 292 Leu HD2* . 25893 1 890 . 1 1 83 83 LEU HG H 1 1.872 0.020 . 1 . . . . 292 Leu HG . 25893 1 891 . 1 1 83 83 LEU CA C 13 56.574 0.100 . 1 . . . . 292 Leu CA . 25893 1 892 . 1 1 83 83 LEU CB C 13 43.298 0.100 . 1 . . . . 292 Leu CB . 25893 1 893 . 1 1 83 83 LEU CD1 C 13 25.097 0.100 . 2 . . . . 292 Leu CD1 . 25893 1 894 . 1 1 83 83 LEU CD2 C 13 26.741 0.100 . 2 . . . . 292 Leu CD2 . 25893 1 895 . 1 1 83 83 LEU N N 15 125.609 0.100 . 1 . . . . 292 Leu N . 25893 1 896 . 1 1 84 84 LEU H H 1 7.701 0.020 . 1 . . . . 293 Leu HN . 25893 1 897 . 1 1 84 84 LEU HA H 1 4.627 0.020 . 1 . . . . 293 Leu HA . 25893 1 898 . 1 1 84 84 LEU HB2 H 1 1.436 0.020 . 2 . . . . 293 Leu HB2 . 25893 1 899 . 1 1 84 84 LEU HB3 H 1 1.579 0.020 . 2 . . . . 293 Leu HB3 . 25893 1 900 . 1 1 84 84 LEU HD11 H 1 0.806 0.020 . 2 . . . . 293 Leu HD1* . 25893 1 901 . 1 1 84 84 LEU HD12 H 1 0.806 0.020 . 2 . . . . 293 Leu HD1* . 25893 1 902 . 1 1 84 84 LEU HD13 H 1 0.806 0.020 . 2 . . . . 293 Leu HD1* . 25893 1 903 . 1 1 84 84 LEU HD21 H 1 0.887 0.020 . 2 . . . . 293 Leu HD2* . 25893 1 904 . 1 1 84 84 LEU HD22 H 1 0.887 0.020 . 2 . . . . 293 Leu HD2* . 25893 1 905 . 1 1 84 84 LEU HD23 H 1 0.887 0.020 . 2 . . . . 293 Leu HD2* . 25893 1 906 . 1 1 84 84 LEU HG H 1 1.480 0.020 . 1 . . . . 293 Leu HG . 25893 1 907 . 1 1 84 84 LEU CA C 13 53.294 0.100 . 1 . . . . 293 Leu CA . 25893 1 908 . 1 1 84 84 LEU CB C 13 39.996 0.100 . 1 . . . . 293 Leu CB . 25893 1 909 . 1 1 84 84 LEU CD1 C 13 25.686 0.100 . 2 . . . . 293 Leu CD1 . 25893 1 910 . 1 1 84 84 LEU CD2 C 13 23.336 0.100 . 2 . . . . 293 Leu CD2 . 25893 1 911 . 1 1 84 84 LEU CG C 13 28.257 0.100 . 1 . . . . 293 Leu CG . 25893 1 912 . 1 1 84 84 LEU N N 15 123.219 0.100 . 1 . . . . 293 Leu N . 25893 1 913 . 1 1 85 85 PRO HA H 1 4.418 0.020 . 1 . . . . 294 Pro HA . 25893 1 914 . 1 1 85 85 PRO HB2 H 1 1.629 0.020 . 2 . . . . 294 Pro HB2 . 25893 1 915 . 1 1 85 85 PRO HB3 H 1 2.331 0.020 . 2 . . . . 294 Pro HB3 . 25893 1 916 . 1 1 85 85 PRO HD2 H 1 3.472 0.020 . 2 . . . . 294 Pro HD2 . 25893 1 917 . 1 1 85 85 PRO HD3 H 1 3.945 0.020 . 2 . . . . 294 Pro HD3 . 25893 1 918 . 1 1 85 85 PRO HG2 H 1 1.998 0.020 . 2 . . . . 294 Pro HG2 . 25893 1 919 . 1 1 85 85 PRO HG3 H 1 2.050 0.020 . 2 . . . . 294 Pro HG3 . 25893 1 920 . 1 1 85 85 PRO CA C 13 62.851 0.100 . 1 . . . . 294 Pro CA . 25893 1 921 . 1 1 85 85 PRO CB C 13 32.020 0.100 . 1 . . . . 294 Pro CB . 25893 1 922 . 1 1 85 85 PRO CD C 13 50.814 0.100 . 1 . . . . 294 Pro CD . 25893 1 923 . 1 1 85 85 PRO CG C 13 27.955 0.100 . 1 . . . . 294 Pro CG . 25893 1 924 . 1 1 86 86 CYS H H 1 9.017 0.020 . 1 . . . . 295 Cys HN . 25893 1 925 . 1 1 86 86 CYS HA H 1 3.917 0.020 . 1 . . . . 295 Cys HA . 25893 1 926 . 1 1 86 86 CYS HB2 H 1 2.849 0.020 . 2 . . . . 295 Cys HB2 . 25893 1 927 . 1 1 86 86 CYS HB3 H 1 3.317 0.020 . 2 . . . . 295 Cys HB3 . 25893 1 928 . 1 1 86 86 CYS CA C 13 60.583 0.100 . 1 . . . . 295 Cys CA . 25893 1 929 . 1 1 86 86 CYS CB C 13 31.896 0.100 . 1 . . . . 295 Cys CB . 25893 1 930 . 1 1 86 86 CYS N N 15 125.313 0.100 . 1 . . . . 295 Cys N . 25893 1 931 . 1 1 87 87 GLU H H 1 8.865 0.020 . 1 . . . . 296 Glu HN . 25893 1 932 . 1 1 87 87 GLU HA H 1 4.066 0.020 . 1 . . . . 296 Glu HA . 25893 1 933 . 1 1 87 87 GLU HB2 H 1 2.072 0.020 . 2 . . . . 296 Glu HB2 . 25893 1 934 . 1 1 87 87 GLU HB3 H 1 2.145 0.020 . 2 . . . . 296 Glu HB3 . 25893 1 935 . 1 1 87 87 GLU HG2 H 1 2.369 0.020 . 2 . . . . 296 Glu HG2 . 25893 1 936 . 1 1 87 87 GLU HG3 H 1 2.403 0.020 . 2 . . . . 296 Glu HG3 . 25893 1 937 . 1 1 87 87 GLU CA C 13 58.830 0.100 . 1 . . . . 296 Glu CA . 25893 1 938 . 1 1 87 87 GLU CB C 13 30.459 0.100 . 1 . . . . 296 Glu CB . 25893 1 939 . 1 1 87 87 GLU CG C 13 36.706 0.100 . 1 . . . . 296 Glu CG . 25893 1 940 . 1 1 87 87 GLU N N 15 129.410 0.100 . 1 . . . . 296 Glu N . 25893 1 941 . 1 1 88 88 GLU H H 1 9.527 0.020 . 1 . . . . 297 Glu HN . 25893 1 942 . 1 1 88 88 GLU HA H 1 4.408 0.020 . 1 . . . . 297 Glu HA . 25893 1 943 . 1 1 88 88 GLU HB2 H 1 1.928 0.020 . 2 . . . . 297 Glu HB2 . 25893 1 944 . 1 1 88 88 GLU HB3 H 1 2.072 0.020 . 2 . . . . 297 Glu HB3 . 25893 1 945 . 1 1 88 88 GLU HG2 H 1 2.164 0.020 . 2 . . . . 297 Glu HG2 . 25893 1 946 . 1 1 88 88 GLU HG3 H 1 2.232 0.020 . 2 . . . . 297 Glu HG3 . 25893 1 947 . 1 1 88 88 GLU CA C 13 58.189 0.100 . 1 . . . . 297 Glu CA . 25893 1 948 . 1 1 88 88 GLU CB C 13 30.413 0.100 . 1 . . . . 297 Glu CB . 25893 1 949 . 1 1 88 88 GLU CG C 13 36.140 0.100 . 1 . . . . 297 Glu CG . 25893 1 950 . 1 1 88 88 GLU N N 15 121.008 0.100 . 1 . . . . 297 Glu N . 25893 1 951 . 1 1 89 89 CYS H H 1 8.460 0.020 . 1 . . . . 298 Cys HN . 25893 1 952 . 1 1 89 89 CYS HA H 1 5.087 0.020 . 1 . . . . 298 Cys HA . 25893 1 953 . 1 1 89 89 CYS HB2 H 1 2.396 0.020 . 2 . . . . 298 Cys HB2 . 25893 1 954 . 1 1 89 89 CYS HB3 H 1 3.222 0.020 . 2 . . . . 298 Cys HB3 . 25893 1 955 . 1 1 89 89 CYS CA C 13 58.967 0.100 . 1 . . . . 298 Cys CA . 25893 1 956 . 1 1 89 89 CYS CB C 13 33.463 0.100 . 1 . . . . 298 Cys CB . 25893 1 957 . 1 1 89 89 CYS N N 15 119.343 0.100 . 1 . . . . 298 Cys N . 25893 1 958 . 1 1 90 90 SER H H 1 7.935 0.020 . 1 . . . . 299 Ser HN . 25893 1 959 . 1 1 90 90 SER HA H 1 4.324 0.020 . 1 . . . . 299 Ser HA . 25893 1 960 . 1 1 90 90 SER HB2 H 1 4.084 0.020 . 2 . . . . 299 Ser HB2 . 25893 1 961 . 1 1 90 90 SER HB3 H 1 4.261 0.020 . 2 . . . . 299 Ser HB3 . 25893 1 962 . 1 1 90 90 SER CA C 13 61.554 0.100 . 1 . . . . 299 Ser CA . 25893 1 963 . 1 1 90 90 SER CB C 13 62.779 0.100 . 1 . . . . 299 Ser CB . 25893 1 964 . 1 1 90 90 SER N N 15 117.244 0.100 . 1 . . . . 299 Ser N . 25893 1 965 . 1 1 91 91 GLY H H 1 9.986 0.020 . 1 . . . . 300 Gly HN . 25893 1 966 . 1 1 91 91 GLY HA2 H 1 3.438 0.020 . 2 . . . . 300 Gly HA2 . 25893 1 967 . 1 1 91 91 GLY HA3 H 1 4.030 0.020 . 2 . . . . 300 Gly HA3 . 25893 1 968 . 1 1 91 91 GLY CA C 13 43.564 0.100 . 1 . . . . 300 Gly CA . 25893 1 969 . 1 1 91 91 GLY N N 15 116.940 0.100 . 1 . . . . 300 Gly N . 25893 1 970 . 1 1 92 92 GLN H H 1 8.167 0.020 . 1 . . . . 301 Gln HN . 25893 1 971 . 1 1 92 92 GLN HA H 1 4.506 0.020 . 1 . . . . 301 Gln HA . 25893 1 972 . 1 1 92 92 GLN HB2 H 1 1.777 0.020 . 2 . . . . 301 Gln HB2 . 25893 1 973 . 1 1 92 92 GLN HB3 H 1 2.014 0.020 . 2 . . . . 301 Gln HB3 . 25893 1 974 . 1 1 92 92 GLN HG2 H 1 2.164 0.020 . 2 . . . . 301 Gln HG2 . 25893 1 975 . 1 1 92 92 GLN HG3 H 1 2.211 0.020 . 2 . . . . 301 Gln HG3 . 25893 1 976 . 1 1 92 92 GLN CA C 13 53.837 0.100 . 1 . . . . 301 Gln CA . 25893 1 977 . 1 1 92 92 GLN CB C 13 31.096 0.100 . 1 . . . . 301 Gln CB . 25893 1 978 . 1 1 92 92 GLN CG C 13 33.980 0.100 . 1 . . . . 301 Gln CG . 25893 1 979 . 1 1 92 92 GLN N N 15 117.236 0.100 . 1 . . . . 301 Gln N . 25893 1 980 . 1 1 93 93 LEU H H 1 9.982 0.020 . 1 . . . . 302 Leu HN . 25893 1 981 . 1 1 93 93 LEU HA H 1 5.117 0.020 . 1 . . . . 302 Leu HA . 25893 1 982 . 1 1 93 93 LEU HB2 H 1 1.445 0.020 . 2 . . . . 302 Leu HB2 . 25893 1 983 . 1 1 93 93 LEU HB3 H 1 1.901 0.020 . 2 . . . . 302 Leu HB3 . 25893 1 984 . 1 1 93 93 LEU HD11 H 1 0.809 0.020 . 2 . . . . 302 Leu HD1* . 25893 1 985 . 1 1 93 93 LEU HD12 H 1 0.809 0.020 . 2 . . . . 302 Leu HD1* . 25893 1 986 . 1 1 93 93 LEU HD13 H 1 0.809 0.020 . 2 . . . . 302 Leu HD1* . 25893 1 987 . 1 1 93 93 LEU HD21 H 1 0.952 0.020 . 2 . . . . 302 Leu HD2* . 25893 1 988 . 1 1 93 93 LEU HD22 H 1 0.952 0.020 . 2 . . . . 302 Leu HD2* . 25893 1 989 . 1 1 93 93 LEU HD23 H 1 0.952 0.020 . 2 . . . . 302 Leu HD2* . 25893 1 990 . 1 1 93 93 LEU HG H 1 1.603 0.020 . 1 . . . . 302 Leu HG . 25893 1 991 . 1 1 93 93 LEU CA C 13 56.183 0.100 . 1 . . . . 302 Leu CA . 25893 1 992 . 1 1 93 93 LEU CB C 13 43.645 0.100 . 1 . . . . 302 Leu CB . 25893 1 993 . 1 1 93 93 LEU CD1 C 13 25.065 0.100 . 2 . . . . 302 Leu CD1 . 25893 1 994 . 1 1 93 93 LEU CD2 C 13 25.027 0.100 . 2 . . . . 302 Leu CD2 . 25893 1 995 . 1 1 93 93 LEU CG C 13 30.722 0.100 . 1 . . . . 302 Leu CG . 25893 1 996 . 1 1 93 93 LEU N N 15 133.700 0.100 . 1 . . . . 302 Leu N . 25893 1 997 . 1 1 94 94 VAL H H 1 9.202 0.020 . 1 . . . . 303 Val HN . 25893 1 998 . 1 1 94 94 VAL HA H 1 4.495 0.020 . 1 . . . . 303 Val HA . 25893 1 999 . 1 1 94 94 VAL HB H 1 2.002 0.020 . 1 . . . . 303 Val HB . 25893 1 1000 . 1 1 94 94 VAL HG11 H 1 0.983 0.020 . 2 . . . . 303 Val HG1* . 25893 1 1001 . 1 1 94 94 VAL HG12 H 1 0.983 0.020 . 2 . . . . 303 Val HG1* . 25893 1 1002 . 1 1 94 94 VAL HG13 H 1 0.983 0.020 . 2 . . . . 303 Val HG1* . 25893 1 1003 . 1 1 94 94 VAL HG21 H 1 1.000 0.020 . 2 . . . . 303 Val HG2* . 25893 1 1004 . 1 1 94 94 VAL HG22 H 1 1.000 0.020 . 2 . . . . 303 Val HG2* . 25893 1 1005 . 1 1 94 94 VAL HG23 H 1 1.000 0.020 . 2 . . . . 303 Val HG2* . 25893 1 1006 . 1 1 94 94 VAL CA C 13 61.061 0.100 . 1 . . . . 303 Val CA . 25893 1 1007 . 1 1 94 94 VAL CB C 13 36.274 0.100 . 1 . . . . 303 Val CB . 25893 1 1008 . 1 1 94 94 VAL CG1 C 13 21.108 0.100 . 2 . . . . 303 Val CG1 . 25893 1 1009 . 1 1 94 94 VAL CG2 C 13 21.040 0.100 . 2 . . . . 303 Val CG2 . 25893 1 1010 . 1 1 94 94 VAL N N 15 118.373 0.100 . 1 . . . . 303 Val N . 25893 1 1011 . 1 1 95 95 PHE H H 1 9.100 0.020 . 1 . . . . 304 Phe HN . 25893 1 1012 . 1 1 95 95 PHE HA H 1 3.910 0.020 . 1 . . . . 304 Phe HA . 25893 1 1013 . 1 1 95 95 PHE HB2 H 1 2.708 0.020 . 2 . . . . 304 Phe HB2 . 25893 1 1014 . 1 1 95 95 PHE HB3 H 1 2.782 0.020 . 2 . . . . 304 Phe HB3 . 25893 1 1015 . 1 1 95 95 PHE HD1 H 1 6.501 0.020 . 1 . . . . 304 Phe HD* . 25893 1 1016 . 1 1 95 95 PHE HD2 H 1 6.501 0.020 . 1 . . . . 304 Phe HD* . 25893 1 1017 . 1 1 95 95 PHE HE1 H 1 7.079 0.020 . 1 . . . . 304 Phe HE1 . 25893 1 1018 . 1 1 95 95 PHE HZ H 1 7.200 0.020 . 1 . . . . 304 Phe HZ . 25893 1 1019 . 1 1 95 95 PHE CA C 13 59.549 0.100 . 1 . . . . 304 Phe CA . 25893 1 1020 . 1 1 95 95 PHE CB C 13 38.965 0.100 . 1 . . . . 304 Phe CB . 25893 1 1021 . 1 1 95 95 PHE CD1 C 13 131.272 0.100 . 1 . . . . 304 Phe CD* . 25893 1 1022 . 1 1 95 95 PHE CD2 C 13 131.272 0.100 . 1 . . . . 304 Phe CD* . 25893 1 1023 . 1 1 95 95 PHE N N 15 128.085 0.100 . 1 . . . . 304 Phe N . 25893 1 1024 . 1 1 96 96 LYS H H 1 7.982 0.020 . 1 . . . . 305 Lys HN . 25893 1 1025 . 1 1 96 96 LYS HA H 1 4.214 0.020 . 1 . . . . 305 Lys HA . 25893 1 1026 . 1 1 96 96 LYS HB2 H 1 1.602 0.020 . 2 . . . . 305 Lys HB2 . 25893 1 1027 . 1 1 96 96 LYS HB3 H 1 1.655 0.020 . 2 . . . . 305 Lys HB3 . 25893 1 1028 . 1 1 96 96 LYS HD2 H 1 1.231 0.020 . 2 . . . . 305 Lys HD2 . 25893 1 1029 . 1 1 96 96 LYS HD3 H 1 1.258 0.020 . 2 . . . . 305 Lys HD3 . 25893 1 1030 . 1 1 96 96 LYS HE2 H 1 2.548 0.020 . 2 . . . . 305 Lys HE2 . 25893 1 1031 . 1 1 96 96 LYS HE3 H 1 2.594 0.020 . 2 . . . . 305 Lys HE3 . 25893 1 1032 . 1 1 96 96 LYS HG2 H 1 1.151 0.020 . 2 . . . . 305 Lys HG2 . 25893 1 1033 . 1 1 96 96 LYS HG3 H 1 1.235 0.020 . 2 . . . . 305 Lys HG3 . 25893 1 1034 . 1 1 96 96 LYS CA C 13 55.179 0.100 . 1 . . . . 305 Lys CA . 25893 1 1035 . 1 1 96 96 LYS CB C 13 33.484 0.100 . 1 . . . . 305 Lys CB . 25893 1 1036 . 1 1 96 96 LYS CD C 13 29.168 0.100 . 1 . . . . 305 Lys CD . 25893 1 1037 . 1 1 96 96 LYS CE C 13 41.892 0.100 . 1 . . . . 305 Lys CE . 25893 1 1038 . 1 1 96 96 LYS CG C 13 24.560 0.100 . 1 . . . . 305 Lys CG . 25893 1 1039 . 1 1 96 96 LYS N N 15 129.602 0.100 . 1 . . . . 305 Lys N . 25893 1 1040 . 1 1 97 97 SER H H 1 6.536 0.020 . 1 . . . . 306 Ser HN . 25893 1 1041 . 1 1 97 97 SER HA H 1 3.659 0.020 . 1 . . . . 306 Ser HA . 25893 1 1042 . 1 1 97 97 SER HB2 H 1 3.943 0.020 . 2 . . . . 306 Ser HB2 . 25893 1 1043 . 1 1 97 97 SER HB3 H 1 3.943 0.020 . 2 . . . . 306 Ser HB3 . 25893 1 1044 . 1 1 97 97 SER CA C 13 63.969 0.100 . 1 . . . . 306 Ser CA . 25893 1 1045 . 1 1 97 97 SER CB C 13 62.121 0.100 . 1 . . . . 306 Ser CB . 25893 1 1046 . 1 1 97 97 SER N N 15 111.557 0.100 . 1 . . . . 306 Ser N . 25893 1 1047 . 1 1 98 98 ASP H H 1 9.321 0.020 . 1 . . . . 307 Asp HN . 25893 1 1048 . 1 1 98 98 ASP HA H 1 4.794 0.020 . 1 . . . . 307 Asp HA . 25893 1 1049 . 1 1 98 98 ASP HB2 H 1 2.554 0.020 . 2 . . . . 307 Asp HB2 . 25893 1 1050 . 1 1 98 98 ASP HB3 H 1 2.876 0.020 . 2 . . . . 307 Asp HB3 . 25893 1 1051 . 1 1 98 98 ASP CA C 13 53.475 0.100 . 1 . . . . 307 Asp CA . 25893 1 1052 . 1 1 98 98 ASP CB C 13 41.351 0.100 . 1 . . . . 307 Asp CB . 25893 1 1053 . 1 1 98 98 ASP N N 15 119.771 0.100 . 1 . . . . 307 Asp N . 25893 1 1054 . 1 1 99 99 ALA H H 1 7.511 0.020 . 1 . . . . 308 Ala HN . 25893 1 1055 . 1 1 99 99 ALA HA H 1 3.688 0.020 . 1 . . . . 308 Ala HA . 25893 1 1056 . 1 1 99 99 ALA HB1 H 1 0.898 0.020 . 1 . . . . 308 Ala HB* . 25893 1 1057 . 1 1 99 99 ALA HB2 H 1 0.898 0.020 . 1 . . . . 308 Ala HB* . 25893 1 1058 . 1 1 99 99 ALA HB3 H 1 0.898 0.020 . 1 . . . . 308 Ala HB* . 25893 1 1059 . 1 1 99 99 ALA CA C 13 51.942 0.100 . 1 . . . . 308 Ala CA . 25893 1 1060 . 1 1 99 99 ALA CB C 13 20.238 0.100 . 1 . . . . 308 Ala CB . 25893 1 1061 . 1 1 99 99 ALA N N 15 118.138 0.100 . 1 . . . . 308 Ala N . 25893 1 1062 . 1 1 100 100 TYR H H 1 8.435 0.020 . 1 . . . . 309 Tyr HN . 25893 1 1063 . 1 1 100 100 TYR HA H 1 5.114 0.020 . 1 . . . . 309 Tyr HA . 25893 1 1064 . 1 1 100 100 TYR HB2 H 1 2.558 0.020 . 2 . . . . 309 Tyr HB2 . 25893 1 1065 . 1 1 100 100 TYR HB3 H 1 3.172 0.020 . 2 . . . . 309 Tyr HB3 . 25893 1 1066 . 1 1 100 100 TYR HD1 H 1 7.040 0.020 . 1 . . . . 309 Tyr HD* . 25893 1 1067 . 1 1 100 100 TYR HD2 H 1 7.040 0.020 . 1 . . . . 309 Tyr HD* . 25893 1 1068 . 1 1 100 100 TYR HE1 H 1 6.824 0.020 . 1 . . . . 309 Tyr HE* . 25893 1 1069 . 1 1 100 100 TYR HE2 H 1 6.824 0.020 . 1 . . . . 309 Tyr HE* . 25893 1 1070 . 1 1 100 100 TYR CA C 13 58.519 0.100 . 1 . . . . 309 Tyr CA . 25893 1 1071 . 1 1 100 100 TYR CB C 13 39.321 0.100 . 1 . . . . 309 Tyr CB . 25893 1 1072 . 1 1 100 100 TYR CD1 C 13 131.152 0.100 . 1 . . . . 309 Tyr CD* . 25893 1 1073 . 1 1 100 100 TYR CD2 C 13 131.152 0.100 . 1 . . . . 309 Tyr CD* . 25893 1 1074 . 1 1 100 100 TYR CE1 C 13 118.259 0.100 . 1 . . . . 309 Tyr CE* . 25893 1 1075 . 1 1 100 100 TYR CE2 C 13 118.259 0.100 . 1 . . . . 309 Tyr CE* . 25893 1 1076 . 1 1 100 100 TYR N N 15 116.410 0.100 . 1 . . . . 309 Tyr N . 25893 1 1077 . 1 1 101 101 TYR H H 1 9.193 0.020 . 1 . . . . 310 Tyr HN . 25893 1 1078 . 1 1 101 101 TYR HA H 1 5.026 0.020 . 1 . . . . 310 Tyr HA . 25893 1 1079 . 1 1 101 101 TYR HB2 H 1 2.647 0.020 . 2 . . . . 310 Tyr HB2 . 25893 1 1080 . 1 1 101 101 TYR HB3 H 1 3.049 0.020 . 2 . . . . 310 Tyr HB3 . 25893 1 1081 . 1 1 101 101 TYR HD1 H 1 7.140 0.020 . 1 . . . . 310 Tyr HD* . 25893 1 1082 . 1 1 101 101 TYR HD2 H 1 7.140 0.020 . 1 . . . . 310 Tyr HD* . 25893 1 1083 . 1 1 101 101 TYR HE1 H 1 6.844 0.020 . 1 . . . . 310 Tyr HE* . 25893 1 1084 . 1 1 101 101 TYR HE2 H 1 6.844 0.020 . 1 . . . . 310 Tyr HE* . 25893 1 1085 . 1 1 101 101 TYR CA C 13 56.480 0.100 . 1 . . . . 310 Tyr CA . 25893 1 1086 . 1 1 101 101 TYR CB C 13 41.189 0.100 . 1 . . . . 310 Tyr CB . 25893 1 1087 . 1 1 101 101 TYR CD1 C 13 133.489 0.100 . 1 . . . . 310 Tyr CD* . 25893 1 1088 . 1 1 101 101 TYR CD2 C 13 133.489 0.100 . 1 . . . . 310 Tyr CD* . 25893 1 1089 . 1 1 101 101 TYR CE1 C 13 118.567 0.100 . 1 . . . . 310 Tyr CE* . 25893 1 1090 . 1 1 101 101 TYR CE2 C 13 118.567 0.100 . 1 . . . . 310 Tyr CE* . 25893 1 1091 . 1 1 101 101 TYR N N 15 121.899 0.100 . 1 . . . . 310 Tyr N . 25893 1 1092 . 1 1 102 102 CYS H H 1 8.511 0.020 . 1 . . . . 311 Cys HN . 25893 1 1093 . 1 1 102 102 CYS HA H 1 4.399 0.020 . 1 . . . . 311 Cys HA . 25893 1 1094 . 1 1 102 102 CYS HB2 H 1 2.612 0.020 . 2 . . . . 311 Cys HB2 . 25893 1 1095 . 1 1 102 102 CYS HB3 H 1 2.840 0.020 . 2 . . . . 311 Cys HB3 . 25893 1 1096 . 1 1 102 102 CYS CA C 13 62.153 0.100 . 1 . . . . 311 Cys CA . 25893 1 1097 . 1 1 102 102 CYS CB C 13 31.076 0.100 . 1 . . . . 311 Cys CB . 25893 1 1098 . 1 1 102 102 CYS N N 15 124.626 0.100 . 1 . . . . 311 Cys N . 25893 1 1099 . 1 1 103 103 THR H H 1 7.782 0.020 . 1 . . . . 312 Thr HN . 25893 1 1100 . 1 1 103 103 THR HA H 1 4.760 0.020 . 1 . . . . 312 Thr HA . 25893 1 1101 . 1 1 103 103 THR HB H 1 4.617 0.020 . 1 . . . . 312 Thr HB . 25893 1 1102 . 1 1 103 103 THR HG21 H 1 1.347 0.020 . 1 . . . . 312 Thr HG2* . 25893 1 1103 . 1 1 103 103 THR HG22 H 1 1.347 0.020 . 1 . . . . 312 Thr HG2* . 25893 1 1104 . 1 1 103 103 THR HG23 H 1 1.347 0.020 . 1 . . . . 312 Thr HG2* . 25893 1 1105 . 1 1 103 103 THR CA C 13 61.985 0.100 . 1 . . . . 312 Thr CA . 25893 1 1106 . 1 1 103 103 THR CB C 13 70.840 0.100 . 1 . . . . 312 Thr CB . 25893 1 1107 . 1 1 103 103 THR CG2 C 13 22.366 0.100 . 1 . . . . 312 Thr CG2 . 25893 1 1108 . 1 1 103 103 THR N N 15 118.178 0.100 . 1 . . . . 312 Thr N . 25893 1 1109 . 1 1 104 104 GLY H H 1 10.458 0.020 . 1 . . . . 313 Gly HN . 25893 1 1110 . 1 1 104 104 GLY HA2 H 1 4.169 0.020 . 2 . . . . 313 Gly HA2 . 25893 1 1111 . 1 1 104 104 GLY HA3 H 1 4.554 0.020 . 2 . . . . 313 Gly HA3 . 25893 1 1112 . 1 1 104 104 GLY CA C 13 45.445 0.100 . 1 . . . . 313 Gly CA . 25893 1 1113 . 1 1 104 104 GLY N N 15 120.463 0.100 . 1 . . . . 313 Gly N . 25893 1 1114 . 1 1 105 105 ASP H H 1 8.169 0.020 . 1 . . . . 314 Asp HN . 25893 1 1115 . 1 1 105 105 ASP HA H 1 5.055 0.020 . 1 . . . . 314 Asp HA . 25893 1 1116 . 1 1 105 105 ASP HB2 H 1 2.348 0.020 . 2 . . . . 314 Asp HB2 . 25893 1 1117 . 1 1 105 105 ASP HB3 H 1 2.627 0.020 . 2 . . . . 314 Asp HB3 . 25893 1 1118 . 1 1 105 105 ASP CA C 13 54.077 0.100 . 1 . . . . 314 Asp CA . 25893 1 1119 . 1 1 105 105 ASP CB C 13 42.990 0.100 . 1 . . . . 314 Asp CB . 25893 1 1120 . 1 1 105 105 ASP N N 15 119.403 0.100 . 1 . . . . 314 Asp N . 25893 1 1121 . 1 1 106 106 VAL H H 1 8.322 0.020 . 1 . . . . 315 Val HN . 25893 1 1122 . 1 1 106 106 VAL HA H 1 3.910 0.020 . 1 . . . . 315 Val HA . 25893 1 1123 . 1 1 106 106 VAL HB H 1 1.928 0.020 . 1 . . . . 315 Val HB . 25893 1 1124 . 1 1 106 106 VAL HG11 H 1 0.922 0.020 . 2 . . . . 315 Val HG1* . 25893 1 1125 . 1 1 106 106 VAL HG12 H 1 0.922 0.020 . 2 . . . . 315 Val HG1* . 25893 1 1126 . 1 1 106 106 VAL HG13 H 1 0.922 0.020 . 2 . . . . 315 Val HG1* . 25893 1 1127 . 1 1 106 106 VAL HG21 H 1 0.996 0.020 . 2 . . . . 315 Val HG2* . 25893 1 1128 . 1 1 106 106 VAL HG22 H 1 0.996 0.020 . 2 . . . . 315 Val HG2* . 25893 1 1129 . 1 1 106 106 VAL HG23 H 1 0.996 0.020 . 2 . . . . 315 Val HG2* . 25893 1 1130 . 1 1 106 106 VAL CA C 13 65.264 0.100 . 1 . . . . 315 Val CA . 25893 1 1131 . 1 1 106 106 VAL CB C 13 32.470 0.100 . 1 . . . . 315 Val CB . 25893 1 1132 . 1 1 106 106 VAL CG1 C 13 21.369 0.100 . 2 . . . . 315 Val CG1 . 25893 1 1133 . 1 1 106 106 VAL CG2 C 13 21.321 0.100 . 2 . . . . 315 Val CG2 . 25893 1 1134 . 1 1 106 106 VAL N N 15 123.552 0.100 . 1 . . . . 315 Val N . 25893 1 1135 . 1 1 107 107 THR H H 1 7.954 0.020 . 1 . . . . 316 Thr HN . 25893 1 1136 . 1 1 107 107 THR HA H 1 4.441 0.020 . 1 . . . . 316 Thr HA . 25893 1 1137 . 1 1 107 107 THR HB H 1 4.250 0.020 . 1 . . . . 316 Thr HB . 25893 1 1138 . 1 1 107 107 THR HG21 H 1 1.191 0.020 . 1 . . . . 316 Thr HG2* . 25893 1 1139 . 1 1 107 107 THR HG22 H 1 1.191 0.020 . 1 . . . . 316 Thr HG2* . 25893 1 1140 . 1 1 107 107 THR HG23 H 1 1.191 0.020 . 1 . . . . 316 Thr HG2* . 25893 1 1141 . 1 1 107 107 THR CA C 13 59.833 0.100 . 1 . . . . 316 Thr CA . 25893 1 1142 . 1 1 107 107 THR CB C 13 72.695 0.100 . 1 . . . . 316 Thr CB . 25893 1 1143 . 1 1 107 107 THR CG2 C 13 21.842 0.100 . 1 . . . . 316 Thr CG2 . 25893 1 1144 . 1 1 107 107 THR N N 15 109.630 0.100 . 1 . . . . 316 Thr N . 25893 1 1145 . 1 1 108 108 ALA H H 1 8.315 0.020 . 1 . . . . 317 Ala HN . 25893 1 1146 . 1 1 108 108 ALA HA H 1 3.972 0.020 . 1 . . . . 317 Ala HA . 25893 1 1147 . 1 1 108 108 ALA HB1 H 1 0.883 0.020 . 1 . . . . 317 Ala HB* . 25893 1 1148 . 1 1 108 108 ALA HB2 H 1 0.883 0.020 . 1 . . . . 317 Ala HB* . 25893 1 1149 . 1 1 108 108 ALA HB3 H 1 0.883 0.020 . 1 . . . . 317 Ala HB* . 25893 1 1150 . 1 1 108 108 ALA CA C 13 53.982 0.100 . 1 . . . . 317 Ala CA . 25893 1 1151 . 1 1 108 108 ALA CB C 13 17.682 0.100 . 1 . . . . 317 Ala CB . 25893 1 1152 . 1 1 108 108 ALA N N 15 120.453 0.100 . 1 . . . . 317 Ala N . 25893 1 1153 . 1 1 109 109 TRP H H 1 7.716 0.020 . 1 . . . . 318 Trp HN . 25893 1 1154 . 1 1 109 109 TRP HA H 1 4.788 0.020 . 1 . . . . 318 Trp HA . 25893 1 1155 . 1 1 109 109 TRP HB2 H 1 3.150 0.020 . 2 . . . . 318 Trp HB2 . 25893 1 1156 . 1 1 109 109 TRP HB3 H 1 3.436 0.020 . 2 . . . . 318 Trp HB3 . 25893 1 1157 . 1 1 109 109 TRP HD1 H 1 7.221 0.020 . 1 . . . . 318 Trp HD1 . 25893 1 1158 . 1 1 109 109 TRP HE1 H 1 10.117 0.020 . 1 . . . . 318 Trp HE1 . 25893 1 1159 . 1 1 109 109 TRP HE3 H 1 7.655 0.020 . 1 . . . . 318 Trp HE3 . 25893 1 1160 . 1 1 109 109 TRP HH2 H 1 7.255 0.020 . 1 . . . . 318 Trp HH2 . 25893 1 1161 . 1 1 109 109 TRP HZ2 H 1 7.520 0.020 . 1 . . . . 318 Trp HZ2 . 25893 1 1162 . 1 1 109 109 TRP HZ3 H 1 7.211 0.020 . 1 . . . . 318 Trp HZ3 . 25893 1 1163 . 1 1 109 109 TRP CA C 13 57.510 0.100 . 1 . . . . 318 Trp CA . 25893 1 1164 . 1 1 109 109 TRP CB C 13 30.113 0.100 . 1 . . . . 318 Trp CB . 25893 1 1165 . 1 1 109 109 TRP CD1 C 13 127.557 0.100 . 1 . . . . 318 Trp CD1 . 25893 1 1166 . 1 1 109 109 TRP CE3 C 13 121.180 0.100 . 1 . . . . 318 Trp CE3 . 25893 1 1167 . 1 1 109 109 TRP CH2 C 13 124.627 0.100 . 1 . . . . 318 Trp CH2 . 25893 1 1168 . 1 1 109 109 TRP CZ2 C 13 114.616 0.100 . 1 . . . . 318 Trp CZ2 . 25893 1 1169 . 1 1 109 109 TRP CZ3 C 13 122.213 0.100 . 1 . . . . 318 Trp CZ3 . 25893 1 1170 . 1 1 109 109 TRP N N 15 114.394 0.100 . 1 . . . . 318 Trp N . 25893 1 1171 . 1 1 109 109 TRP NE1 N 15 129.236 0.100 . 1 . . . . 318 Trp NE1 . 25893 1 1172 . 1 1 110 110 THR H H 1 7.338 0.020 . 1 . . . . 319 Thr HN . 25893 1 1173 . 1 1 110 110 THR HA H 1 4.617 0.020 . 1 . . . . 319 Thr HA . 25893 1 1174 . 1 1 110 110 THR HB H 1 3.939 0.020 . 1 . . . . 319 Thr HB . 25893 1 1175 . 1 1 110 110 THR HG21 H 1 1.181 0.020 . 1 . . . . 319 Thr HG2* . 25893 1 1176 . 1 1 110 110 THR HG22 H 1 1.181 0.020 . 1 . . . . 319 Thr HG2* . 25893 1 1177 . 1 1 110 110 THR HG23 H 1 1.181 0.020 . 1 . . . . 319 Thr HG2* . 25893 1 1178 . 1 1 110 110 THR CA C 13 61.412 0.100 . 1 . . . . 319 Thr CA . 25893 1 1179 . 1 1 110 110 THR CB C 13 71.313 0.100 . 1 . . . . 319 Thr CB . 25893 1 1180 . 1 1 110 110 THR CG2 C 13 22.070 0.100 . 1 . . . . 319 Thr CG2 . 25893 1 1181 . 1 1 110 110 THR N N 15 116.158 0.100 . 1 . . . . 319 Thr N . 25893 1 1182 . 1 1 111 111 LYS H H 1 8.562 0.020 . 1 . . . . 320 Lys HN . 25893 1 1183 . 1 1 111 111 LYS HA H 1 4.619 0.020 . 1 . . . . 320 Lys HA . 25893 1 1184 . 1 1 111 111 LYS HB2 H 1 1.765 0.020 . 2 . . . . 320 Lys HB2 . 25893 1 1185 . 1 1 111 111 LYS HB3 H 1 2.036 0.020 . 2 . . . . 320 Lys HB3 . 25893 1 1186 . 1 1 111 111 LYS HD2 H 1 1.694 0.020 . 2 . . . . 320 Lys HD2 . 25893 1 1187 . 1 1 111 111 LYS HD3 H 1 1.758 0.020 . 2 . . . . 320 Lys HD3 . 25893 1 1188 . 1 1 111 111 LYS HE2 H 1 2.917 0.020 . 2 . . . . 320 Lys HE2 . 25893 1 1189 . 1 1 111 111 LYS HE3 H 1 3.079 0.020 . 2 . . . . 320 Lys HE3 . 25893 1 1190 . 1 1 111 111 LYS HG2 H 1 1.529 0.020 . 2 . . . . 320 Lys HG2 . 25893 1 1191 . 1 1 111 111 LYS HG3 H 1 1.553 0.020 . 2 . . . . 320 Lys HG3 . 25893 1 1192 . 1 1 111 111 LYS CA C 13 55.196 0.100 . 1 . . . . 320 Lys CA . 25893 1 1193 . 1 1 111 111 LYS CB C 13 32.877 0.100 . 1 . . . . 320 Lys CB . 25893 1 1194 . 1 1 111 111 LYS CD C 13 27.665 0.100 . 1 . . . . 320 Lys CD . 25893 1 1195 . 1 1 111 111 LYS CE C 13 42.161 0.100 . 1 . . . . 320 Lys CE . 25893 1 1196 . 1 1 111 111 LYS CG C 13 24.357 0.100 . 1 . . . . 320 Lys CG . 25893 1 1197 . 1 1 111 111 LYS N N 15 126.899 0.100 . 1 . . . . 320 Lys N . 25893 1 1198 . 1 1 112 112 CYS H H 1 8.292 0.020 . 1 . . . . 321 Cys HN . 25893 1 1199 . 1 1 112 112 CYS HA H 1 3.991 0.020 . 1 . . . . 321 Cys HA . 25893 1 1200 . 1 1 112 112 CYS HB2 H 1 2.649 0.020 . 2 . . . . 321 Cys HB2 . 25893 1 1201 . 1 1 112 112 CYS HB3 H 1 2.709 0.020 . 2 . . . . 321 Cys HB3 . 25893 1 1202 . 1 1 112 112 CYS CA C 13 61.379 0.100 . 1 . . . . 321 Cys CA . 25893 1 1203 . 1 1 112 112 CYS CB C 13 31.667 0.100 . 1 . . . . 321 Cys CB . 25893 1 1204 . 1 1 112 112 CYS N N 15 124.845 0.100 . 1 . . . . 321 Cys N . 25893 1 1205 . 1 1 113 113 MET H H 1 8.430 0.020 . 1 . . . . 322 Met HN . 25893 1 1206 . 1 1 113 113 MET HA H 1 4.935 0.020 . 1 . . . . 322 Met HA . 25893 1 1207 . 1 1 113 113 MET HB2 H 1 1.909 0.020 . 2 . . . . 322 Met HB2 . 25893 1 1208 . 1 1 113 113 MET HB3 H 1 2.377 0.020 . 2 . . . . 322 Met HB3 . 25893 1 1209 . 1 1 113 113 MET HE1 H 1 2.138 0.020 . 1 . . . . 322 Met HE* . 25893 1 1210 . 1 1 113 113 MET HE2 H 1 2.138 0.020 . 1 . . . . 322 Met HE* . 25893 1 1211 . 1 1 113 113 MET HE3 H 1 2.138 0.020 . 1 . . . . 322 Met HE* . 25893 1 1212 . 1 1 113 113 MET HG2 H 1 2.540 0.020 . 2 . . . . 322 Met HG2 . 25893 1 1213 . 1 1 113 113 MET HG3 H 1 2.718 0.020 . 2 . . . . 322 Met HG3 . 25893 1 1214 . 1 1 113 113 MET CA C 13 54.495 0.100 . 1 . . . . 322 Met CA . 25893 1 1215 . 1 1 113 113 MET CB C 13 32.338 0.100 . 1 . . . . 322 Met CB . 25893 1 1216 . 1 1 113 113 MET CE C 13 17.094 0.100 . 1 . . . . 322 Met CE . 25893 1 1217 . 1 1 113 113 MET CG C 13 32.291 0.100 . 1 . . . . 322 Met CG . 25893 1 1218 . 1 1 113 113 MET N N 15 125.367 0.100 . 1 . . . . 322 Met N . 25893 1 1219 . 1 1 114 114 VAL H H 1 8.678 0.020 . 1 . . . . 323 Val HN . 25893 1 1220 . 1 1 114 114 VAL HA H 1 3.686 0.020 . 1 . . . . 323 Val HA . 25893 1 1221 . 1 1 114 114 VAL HB H 1 2.181 0.020 . 1 . . . . 323 Val HB . 25893 1 1222 . 1 1 114 114 VAL HG11 H 1 0.829 0.020 . 2 . . . . 323 Val HG1* . 25893 1 1223 . 1 1 114 114 VAL HG12 H 1 0.829 0.020 . 2 . . . . 323 Val HG1* . 25893 1 1224 . 1 1 114 114 VAL HG13 H 1 0.829 0.020 . 2 . . . . 323 Val HG1* . 25893 1 1225 . 1 1 114 114 VAL HG21 H 1 0.962 0.020 . 2 . . . . 323 Val HG2* . 25893 1 1226 . 1 1 114 114 VAL HG22 H 1 0.962 0.020 . 2 . . . . 323 Val HG2* . 25893 1 1227 . 1 1 114 114 VAL HG23 H 1 0.962 0.020 . 2 . . . . 323 Val HG2* . 25893 1 1228 . 1 1 114 114 VAL CA C 13 66.358 0.100 . 1 . . . . 323 Val CA . 25893 1 1229 . 1 1 114 114 VAL CB C 13 31.597 0.100 . 1 . . . . 323 Val CB . 25893 1 1230 . 1 1 114 114 VAL CG1 C 13 20.334 0.100 . 2 . . . . 323 Val CG1 . 25893 1 1231 . 1 1 114 114 VAL CG2 C 13 24.411 0.100 . 2 . . . . 323 Val CG2 . 25893 1 1232 . 1 1 114 114 VAL N N 15 125.809 0.100 . 1 . . . . 323 Val N . 25893 1 1233 . 1 1 115 115 LYS H H 1 7.826 0.020 . 1 . . . . 324 Lys HN . 25893 1 1234 . 1 1 115 115 LYS HA H 1 4.979 0.020 . 1 . . . . 324 Lys HA . 25893 1 1235 . 1 1 115 115 LYS HB2 H 1 1.081 0.020 . 2 . . . . 324 Lys HB2 . 25893 1 1236 . 1 1 115 115 LYS HB3 H 1 1.326 0.020 . 2 . . . . 324 Lys HB3 . 25893 1 1237 . 1 1 115 115 LYS HD2 H 1 1.348 0.020 . 2 . . . . 324 Lys HD2 . 25893 1 1238 . 1 1 115 115 LYS HD3 H 1 1.406 0.020 . 2 . . . . 324 Lys HD3 . 25893 1 1239 . 1 1 115 115 LYS HE2 H 1 2.657 0.020 . 2 . . . . 324 Lys HE2 . 25893 1 1240 . 1 1 115 115 LYS HE3 H 1 2.657 0.020 . 2 . . . . 324 Lys HE3 . 25893 1 1241 . 1 1 115 115 LYS HG2 H 1 0.438 0.020 . 2 . . . . 324 Lys HG2 . 25893 1 1242 . 1 1 115 115 LYS HG3 H 1 0.761 0.020 . 2 . . . . 324 Lys HG3 . 25893 1 1243 . 1 1 115 115 LYS CA C 13 54.726 0.100 . 1 . . . . 324 Lys CA . 25893 1 1244 . 1 1 115 115 LYS CB C 13 34.970 0.100 . 1 . . . . 324 Lys CB . 25893 1 1245 . 1 1 115 115 LYS CD C 13 30.044 0.100 . 1 . . . . 324 Lys CD . 25893 1 1246 . 1 1 115 115 LYS CE C 13 42.353 0.100 . 1 . . . . 324 Lys CE . 25893 1 1247 . 1 1 115 115 LYS CG C 13 24.057 0.100 . 1 . . . . 324 Lys CG . 25893 1 1248 . 1 1 115 115 LYS N N 15 127.678 0.100 . 1 . . . . 324 Lys N . 25893 1 1249 . 1 1 116 116 THR H H 1 9.174 0.020 . 1 . . . . 325 Thr HN . 25893 1 1250 . 1 1 116 116 THR HA H 1 4.721 0.020 . 1 . . . . 325 Thr HA . 25893 1 1251 . 1 1 116 116 THR HB H 1 4.198 0.020 . 1 . . . . 325 Thr HB . 25893 1 1252 . 1 1 116 116 THR HG21 H 1 0.844 0.020 . 1 . . . . 325 Thr HG2* . 25893 1 1253 . 1 1 116 116 THR HG22 H 1 0.844 0.020 . 1 . . . . 325 Thr HG2* . 25893 1 1254 . 1 1 116 116 THR HG23 H 1 0.844 0.020 . 1 . . . . 325 Thr HG2* . 25893 1 1255 . 1 1 116 116 THR CA C 13 59.708 0.100 . 1 . . . . 325 Thr CA . 25893 1 1256 . 1 1 116 116 THR CB C 13 68.516 0.100 . 1 . . . . 325 Thr CB . 25893 1 1257 . 1 1 116 116 THR CG2 C 13 18.870 0.100 . 1 . . . . 325 Thr CG2 . 25893 1 1258 . 1 1 116 116 THR N N 15 117.610 0.100 . 1 . . . . 325 Thr N . 25893 1 1259 . 1 1 117 117 GLN HA H 1 4.297 0.020 . 1 . . . . 326 Gln HA . 25893 1 1260 . 1 1 117 117 GLN HB2 H 1 1.831 0.020 . 2 . . . . 326 Gln HB2 . 25893 1 1261 . 1 1 117 117 GLN HB3 H 1 2.037 0.020 . 2 . . . . 326 Gln HB3 . 25893 1 1262 . 1 1 117 117 GLN HE21 H 1 6.860 0.020 . 1 . . . . 326 Gln HE21 . 25893 1 1263 . 1 1 117 117 GLN HE22 H 1 7.030 0.020 . 1 . . . . 326 Gln HE22 . 25893 1 1264 . 1 1 117 117 GLN HG2 H 1 1.144 0.020 . 2 . . . . 326 Gln HG2 . 25893 1 1265 . 1 1 117 117 GLN HG3 H 1 2.177 0.020 . 2 . . . . 326 Gln HG3 . 25893 1 1266 . 1 1 117 117 GLN CA C 13 56.744 0.100 . 1 . . . . 326 Gln CA . 25893 1 1267 . 1 1 117 117 GLN CB C 13 28.977 0.100 . 1 . . . . 326 Gln CB . 25893 1 1268 . 1 1 117 117 GLN CG C 13 33.980 0.100 . 1 . . . . 326 Gln CG . 25893 1 1269 . 1 1 117 117 GLN NE2 N 15 111.549 0.100 . 1 . . . . 326 Gln NE2 . 25893 1 1270 . 1 1 118 118 THR H H 1 8.845 0.020 . 1 . . . . 327 Thr HN . 25893 1 1271 . 1 1 118 118 THR HA H 1 4.701 0.020 . 1 . . . . 327 Thr HA . 25893 1 1272 . 1 1 118 118 THR HB H 1 4.315 0.020 . 1 . . . . 327 Thr HB . 25893 1 1273 . 1 1 118 118 THR HG21 H 1 1.071 0.020 . 1 . . . . 327 Thr HG2* . 25893 1 1274 . 1 1 118 118 THR HG22 H 1 1.071 0.020 . 1 . . . . 327 Thr HG2* . 25893 1 1275 . 1 1 118 118 THR HG23 H 1 1.071 0.020 . 1 . . . . 327 Thr HG2* . 25893 1 1276 . 1 1 118 118 THR CA C 13 57.598 0.100 . 1 . . . . 327 Thr CA . 25893 1 1277 . 1 1 118 118 THR CB C 13 69.180 0.100 . 1 . . . . 327 Thr CB . 25893 1 1278 . 1 1 118 118 THR CG2 C 13 20.868 0.100 . 1 . . . . 327 Thr CG2 . 25893 1 1279 . 1 1 118 118 THR N N 15 111.703 0.100 . 1 . . . . 327 Thr N . 25893 1 1280 . 1 1 119 119 PRO HA H 1 4.290 0.020 . 1 . . . . 328 Pro HA . 25893 1 1281 . 1 1 119 119 PRO HB2 H 1 1.461 0.020 . 2 . . . . 328 Pro HB2 . 25893 1 1282 . 1 1 119 119 PRO HB3 H 1 1.500 0.020 . 2 . . . . 328 Pro HB3 . 25893 1 1283 . 1 1 119 119 PRO HD2 H 1 2.947 0.020 . 2 . . . . 328 Pro HD2 . 25893 1 1284 . 1 1 119 119 PRO HD3 H 1 3.391 0.020 . 2 . . . . 328 Pro HD3 . 25893 1 1285 . 1 1 119 119 PRO HG2 H 1 0.502 0.020 . 2 . . . . 328 Pro HG2 . 25893 1 1286 . 1 1 119 119 PRO HG3 H 1 1.174 0.020 . 2 . . . . 328 Pro HG3 . 25893 1 1287 . 1 1 119 119 PRO CA C 13 62.335 0.100 . 1 . . . . 328 Pro CA . 25893 1 1288 . 1 1 119 119 PRO CB C 13 32.334 0.100 . 1 . . . . 328 Pro CB . 25893 1 1289 . 1 1 119 119 PRO CD C 13 50.415 0.100 . 1 . . . . 328 Pro CD . 25893 1 1290 . 1 1 119 119 PRO CG C 13 26.293 0.100 . 1 . . . . 328 Pro CG . 25893 1 1291 . 1 1 120 120 ASN H H 1 8.368 0.020 . 1 . . . . 329 Asn HN . 25893 1 1292 . 1 1 120 120 ASN HA H 1 4.682 0.020 . 1 . . . . 329 Asn HA . 25893 1 1293 . 1 1 120 120 ASN HB2 H 1 2.765 0.020 . 2 . . . . 329 Asn HB2 . 25893 1 1294 . 1 1 120 120 ASN HB3 H 1 2.836 0.020 . 2 . . . . 329 Asn HB3 . 25893 1 1295 . 1 1 120 120 ASN CA C 13 53.848 0.100 . 1 . . . . 329 Asn CA . 25893 1 1296 . 1 1 120 120 ASN CB C 13 38.889 0.100 . 1 . . . . 329 Asn CB . 25893 1 1297 . 1 1 120 120 ASN N N 15 118.698 0.100 . 1 . . . . 329 Asn N . 25893 1 1298 . 1 1 121 121 ARG HA H 1 5.286 0.020 . 1 . . . . 330 Arg HA . 25893 1 1299 . 1 1 121 121 ARG HB2 H 1 1.584 0.020 . 2 . . . . 330 Arg HB2 . 25893 1 1300 . 1 1 121 121 ARG HB3 H 1 1.623 0.020 . 2 . . . . 330 Arg HB3 . 25893 1 1301 . 1 1 121 121 ARG HD2 H 1 2.726 0.020 . 2 . . . . 330 Arg HD2 . 25893 1 1302 . 1 1 121 121 ARG HD3 H 1 2.939 0.020 . 2 . . . . 330 Arg HD3 . 25893 1 1303 . 1 1 121 121 ARG HG2 H 1 1.247 0.020 . 2 . . . . 330 Arg HG2 . 25893 1 1304 . 1 1 121 121 ARG HG3 H 1 1.568 0.020 . 2 . . . . 330 Arg HG3 . 25893 1 1305 . 1 1 121 121 ARG CA C 13 54.947 0.100 . 1 . . . . 330 Arg CA . 25893 1 1306 . 1 1 121 121 ARG CB C 13 36.183 0.100 . 1 . . . . 330 Arg CB . 25893 1 1307 . 1 1 121 121 ARG CD C 13 44.253 0.100 . 1 . . . . 330 Arg CD . 25893 1 1308 . 1 1 121 121 ARG CG C 13 27.901 0.100 . 1 . . . . 330 Arg CG . 25893 1 1309 . 1 1 122 122 LYS H H 1 9.150 0.020 . 1 . . . . 331 Lys HN . 25893 1 1310 . 1 1 122 122 LYS HA H 1 4.799 0.020 . 1 . . . . 331 Lys HA . 25893 1 1311 . 1 1 122 122 LYS HB2 H 1 1.742 0.020 . 2 . . . . 331 Lys HB2 . 25893 1 1312 . 1 1 122 122 LYS HB3 H 1 1.964 0.020 . 2 . . . . 331 Lys HB3 . 25893 1 1313 . 1 1 122 122 LYS HD2 H 1 1.630 0.020 . 2 . . . . 331 Lys HD2 . 25893 1 1314 . 1 1 122 122 LYS HD3 H 1 1.700 0.020 . 2 . . . . 331 Lys HD3 . 25893 1 1315 . 1 1 122 122 LYS HE2 H 1 2.945 0.020 . 2 . . . . 331 Lys HE2 . 25893 1 1316 . 1 1 122 122 LYS HE3 H 1 2.990 0.020 . 2 . . . . 331 Lys HE3 . 25893 1 1317 . 1 1 122 122 LYS HG2 H 1 1.393 0.020 . 2 . . . . 331 Lys HG2 . 25893 1 1318 . 1 1 122 122 LYS HG3 H 1 1.399 0.020 . 2 . . . . 331 Lys HG3 . 25893 1 1319 . 1 1 122 122 LYS CA C 13 54.202 0.100 . 1 . . . . 331 Lys CA . 25893 1 1320 . 1 1 122 122 LYS CB C 13 35.473 0.100 . 1 . . . . 331 Lys CB . 25893 1 1321 . 1 1 122 122 LYS CD C 13 29.134 0.100 . 1 . . . . 331 Lys CD . 25893 1 1322 . 1 1 122 122 LYS CE C 13 41.772 0.100 . 1 . . . . 331 Lys CE . 25893 1 1323 . 1 1 122 122 LYS CG C 13 23.348 0.100 . 1 . . . . 331 Lys CG . 25893 1 1324 . 1 1 122 122 LYS N N 15 119.323 0.100 . 1 . . . . 331 Lys N . 25893 1 1325 . 1 1 123 123 GLU H H 1 8.543 0.020 . 1 . . . . 332 Glu HN . 25893 1 1326 . 1 1 123 123 GLU HA H 1 4.230 0.020 . 1 . . . . 332 Glu HA . 25893 1 1327 . 1 1 123 123 GLU HB2 H 1 1.964 0.020 . 2 . . . . 332 Glu HB2 . 25893 1 1328 . 1 1 123 123 GLU HB3 H 1 1.996 0.020 . 2 . . . . 332 Glu HB3 . 25893 1 1329 . 1 1 123 123 GLU HG2 H 1 2.376 0.020 . 2 . . . . 332 Glu HG2 . 25893 1 1330 . 1 1 123 123 GLU HG3 H 1 2.376 0.020 . 2 . . . . 332 Glu HG3 . 25893 1 1331 . 1 1 123 123 GLU CA C 13 57.914 0.100 . 1 . . . . 332 Glu CA . 25893 1 1332 . 1 1 123 123 GLU CB C 13 29.545 0.100 . 1 . . . . 332 Glu CB . 25893 1 1333 . 1 1 123 123 GLU CG C 13 36.350 0.100 . 1 . . . . 332 Glu CG . 25893 1 1334 . 1 1 123 123 GLU N N 15 120.205 0.100 . 1 . . . . 332 Glu N . 25893 1 1335 . 1 1 124 124 TRP H H 1 9.111 0.020 . 1 . . . . 333 Trp HN . 25893 1 1336 . 1 1 124 124 TRP HA H 1 4.258 0.020 . 1 . . . . 333 Trp HA . 25893 1 1337 . 1 1 124 124 TRP HB2 H 1 3.080 0.020 . 2 . . . . 333 Trp HB2 . 25893 1 1338 . 1 1 124 124 TRP HB3 H 1 3.290 0.020 . 2 . . . . 333 Trp HB3 . 25893 1 1339 . 1 1 124 124 TRP HD1 H 1 6.947 0.020 . 1 . . . . 333 Trp HD1 . 25893 1 1340 . 1 1 124 124 TRP HE1 H 1 9.510 0.020 . 1 . . . . 333 Trp HE1 . 25893 1 1341 . 1 1 124 124 TRP HE3 H 1 7.190 0.020 . 1 . . . . 333 Trp HE3 . 25893 1 1342 . 1 1 124 124 TRP HH2 H 1 6.888 0.020 . 1 . . . . 333 Trp HH2 . 25893 1 1343 . 1 1 124 124 TRP HZ2 H 1 7.149 0.020 . 1 . . . . 333 Trp HZ2 . 25893 1 1344 . 1 1 124 124 TRP CA C 13 57.972 0.100 . 1 . . . . 333 Trp CA . 25893 1 1345 . 1 1 124 124 TRP CB C 13 29.427 0.100 . 1 . . . . 333 Trp CB . 25893 1 1346 . 1 1 124 124 TRP CD1 C 13 127.707 0.100 . 1 . . . . 333 Trp CD1 . 25893 1 1347 . 1 1 124 124 TRP CE3 C 13 121.425 0.100 . 1 . . . . 333 Trp CE3 . 25893 1 1348 . 1 1 124 124 TRP CH2 C 13 122.681 0.100 . 1 . . . . 333 Trp CH2 . 25893 1 1349 . 1 1 124 124 TRP CZ2 C 13 113.835 0.100 . 1 . . . . 333 Trp CZ2 . 25893 1 1350 . 1 1 124 124 TRP N N 15 126.345 0.100 . 1 . . . . 333 Trp N . 25893 1 1351 . 1 1 124 124 TRP NE1 N 15 128.225 0.100 . 1 . . . . 333 Trp NE1 . 25893 1 1352 . 1 1 125 125 VAL H H 1 8.566 0.020 . 1 . . . . 334 Val HN . 25893 1 1353 . 1 1 125 125 VAL HA H 1 4.478 0.020 . 1 . . . . 334 Val HA . 25893 1 1354 . 1 1 125 125 VAL HB H 1 1.937 0.020 . 1 . . . . 334 Val HB . 25893 1 1355 . 1 1 125 125 VAL HG11 H 1 0.740 0.020 . 2 . . . . 334 Val HG1* . 25893 1 1356 . 1 1 125 125 VAL HG12 H 1 0.740 0.020 . 2 . . . . 334 Val HG1* . 25893 1 1357 . 1 1 125 125 VAL HG13 H 1 0.740 0.020 . 2 . . . . 334 Val HG1* . 25893 1 1358 . 1 1 125 125 VAL HG21 H 1 0.861 0.020 . 2 . . . . 334 Val HG2* . 25893 1 1359 . 1 1 125 125 VAL HG22 H 1 0.861 0.020 . 2 . . . . 334 Val HG2* . 25893 1 1360 . 1 1 125 125 VAL HG23 H 1 0.861 0.020 . 2 . . . . 334 Val HG2* . 25893 1 1361 . 1 1 125 125 VAL CA C 13 60.737 0.100 . 1 . . . . 334 Val CA . 25893 1 1362 . 1 1 125 125 VAL CB C 13 34.816 0.100 . 1 . . . . 334 Val CB . 25893 1 1363 . 1 1 125 125 VAL CG1 C 13 20.162 0.100 . 2 . . . . 334 Val CG1 . 25893 1 1364 . 1 1 125 125 VAL CG2 C 13 22.193 0.100 . 2 . . . . 334 Val CG2 . 25893 1 1365 . 1 1 125 125 VAL N N 15 128.412 0.100 . 1 . . . . 334 Val N . 25893 1 1366 . 1 1 126 126 THR H H 1 8.422 0.020 . 1 . . . . 335 Thr HN . 25893 1 1367 . 1 1 126 126 THR HA H 1 4.493 0.020 . 1 . . . . 335 Thr HA . 25893 1 1368 . 1 1 126 126 THR HB H 1 3.932 0.020 . 1 . . . . 335 Thr HB . 25893 1 1369 . 1 1 126 126 THR HG21 H 1 1.170 0.020 . 1 . . . . 335 Thr HG2* . 25893 1 1370 . 1 1 126 126 THR HG22 H 1 1.170 0.020 . 1 . . . . 335 Thr HG2* . 25893 1 1371 . 1 1 126 126 THR HG23 H 1 1.170 0.020 . 1 . . . . 335 Thr HG2* . 25893 1 1372 . 1 1 126 126 THR CA C 13 59.180 0.100 . 1 . . . . 335 Thr CA . 25893 1 1373 . 1 1 126 126 THR CB C 13 70.085 0.100 . 1 . . . . 335 Thr CB . 25893 1 1374 . 1 1 126 126 THR CG2 C 13 22.364 0.100 . 1 . . . . 335 Thr CG2 . 25893 1 1375 . 1 1 126 126 THR N N 15 120.029 0.100 . 1 . . . . 335 Thr N . 25893 1 1376 . 1 1 127 127 PRO HA H 1 3.902 0.020 . 1 . . . . 336 Pro HA . 25893 1 1377 . 1 1 127 127 PRO HB2 H 1 1.658 0.020 . 2 . . . . 336 Pro HB2 . 25893 1 1378 . 1 1 127 127 PRO HB3 H 1 1.745 0.020 . 2 . . . . 336 Pro HB3 . 25893 1 1379 . 1 1 127 127 PRO HD2 H 1 3.095 0.020 . 2 . . . . 336 Pro HD2 . 25893 1 1380 . 1 1 127 127 PRO HD3 H 1 3.189 0.020 . 2 . . . . 336 Pro HD3 . 25893 1 1381 . 1 1 127 127 PRO HG2 H 1 0.651 0.020 . 2 . . . . 336 Pro HG2 . 25893 1 1382 . 1 1 127 127 PRO HG3 H 1 1.487 0.020 . 2 . . . . 336 Pro HG3 . 25893 1 1383 . 1 1 127 127 PRO CA C 13 62.516 0.100 . 1 . . . . 336 Pro CA . 25893 1 1384 . 1 1 127 127 PRO CB C 13 32.030 0.100 . 1 . . . . 336 Pro CB . 25893 1 1385 . 1 1 127 127 PRO CD C 13 51.178 0.100 . 1 . . . . 336 Pro CD . 25893 1 1386 . 1 1 127 127 PRO CG C 13 25.976 0.100 . 1 . . . . 336 Pro CG . 25893 1 1387 . 1 1 128 128 LYS H H 1 8.531 0.020 . 1 . . . . 337 Lys HN . 25893 1 1388 . 1 1 128 128 LYS HA H 1 3.924 0.020 . 1 . . . . 337 Lys HA . 25893 1 1389 . 1 1 128 128 LYS HB2 H 1 1.771 0.020 . 2 . . . . 337 Lys HB2 . 25893 1 1390 . 1 1 128 128 LYS HB3 H 1 1.872 0.020 . 2 . . . . 337 Lys HB3 . 25893 1 1391 . 1 1 128 128 LYS HD2 H 1 1.694 0.020 . 2 . . . . 337 Lys HD2 . 25893 1 1392 . 1 1 128 128 LYS HD3 H 1 1.694 0.020 . 2 . . . . 337 Lys HD3 . 25893 1 1393 . 1 1 128 128 LYS HE2 H 1 3.018 0.020 . 2 . . . . 337 Lys HE2 . 25893 1 1394 . 1 1 128 128 LYS HE3 H 1 3.018 0.020 . 2 . . . . 337 Lys HE3 . 25893 1 1395 . 1 1 128 128 LYS HG2 H 1 1.442 0.020 . 2 . . . . 337 Lys HG2 . 25893 1 1396 . 1 1 128 128 LYS HG3 H 1 1.442 0.020 . 2 . . . . 337 Lys HG3 . 25893 1 1397 . 1 1 128 128 LYS CA C 13 59.256 0.100 . 1 . . . . 337 Lys CA . 25893 1 1398 . 1 1 128 128 LYS CB C 13 32.445 0.100 . 1 . . . . 337 Lys CB . 25893 1 1399 . 1 1 128 128 LYS CD C 13 29.465 0.100 . 1 . . . . 337 Lys CD . 25893 1 1400 . 1 1 128 128 LYS CE C 13 42.225 0.100 . 1 . . . . 337 Lys CE . 25893 1 1401 . 1 1 128 128 LYS CG C 13 24.894 0.100 . 1 . . . . 337 Lys CG . 25893 1 1402 . 1 1 128 128 LYS N N 15 122.790 0.100 . 1 . . . . 337 Lys N . 25893 1 1403 . 1 1 129 129 GLU H H 1 8.876 0.020 . 1 . . . . 338 Glu HN . 25893 1 1404 . 1 1 129 129 GLU HA H 1 4.060 0.020 . 1 . . . . 338 Glu HA . 25893 1 1405 . 1 1 129 129 GLU HB2 H 1 1.792 0.020 . 2 . . . . 338 Glu HB2 . 25893 1 1406 . 1 1 129 129 GLU HB3 H 1 1.880 0.020 . 2 . . . . 338 Glu HB3 . 25893 1 1407 . 1 1 129 129 GLU HG2 H 1 2.089 0.020 . 2 . . . . 338 Glu HG2 . 25893 1 1408 . 1 1 129 129 GLU HG3 H 1 2.157 0.020 . 2 . . . . 338 Glu HG3 . 25893 1 1409 . 1 1 129 129 GLU CA C 13 58.155 0.100 . 1 . . . . 338 Glu CA . 25893 1 1410 . 1 1 129 129 GLU CB C 13 28.481 0.100 . 1 . . . . 338 Glu CB . 25893 1 1411 . 1 1 129 129 GLU CG C 13 36.721 0.100 . 1 . . . . 338 Glu CG . 25893 1 1412 . 1 1 129 129 GLU N N 15 116.922 0.100 . 1 . . . . 338 Glu N . 25893 1 1413 . 1 1 130 130 PHE H H 1 7.672 0.020 . 1 . . . . 339 Phe HN . 25893 1 1414 . 1 1 130 130 PHE HA H 1 4.492 0.020 . 1 . . . . 339 Phe HA . 25893 1 1415 . 1 1 130 130 PHE HB2 H 1 2.799 0.020 . 2 . . . . 339 Phe HB2 . 25893 1 1416 . 1 1 130 130 PHE HB3 H 1 3.034 0.020 . 2 . . . . 339 Phe HB3 . 25893 1 1417 . 1 1 130 130 PHE HD1 H 1 7.178 0.020 . 1 . . . . 339 Phe HD* . 25893 1 1418 . 1 1 130 130 PHE HD2 H 1 7.178 0.020 . 1 . . . . 339 Phe HD* . 25893 1 1419 . 1 1 130 130 PHE HE1 H 1 7.280 0.020 . 1 . . . . 339 Phe HE1 . 25893 1 1420 . 1 1 130 130 PHE CA C 13 58.024 0.100 . 1 . . . . 339 Phe CA . 25893 1 1421 . 1 1 130 130 PHE CB C 13 39.721 0.100 . 1 . . . . 339 Phe CB . 25893 1 1422 . 1 1 130 130 PHE CD1 C 13 131.721 0.100 . 1 . . . . 339 Phe CD* . 25893 1 1423 . 1 1 130 130 PHE CD2 C 13 131.721 0.100 . 1 . . . . 339 Phe CD* . 25893 1 1424 . 1 1 130 130 PHE CE1 C 13 131.258 0.100 . 1 . . . . 339 Phe CE* . 25893 1 1425 . 1 1 130 130 PHE CE2 C 13 131.258 0.100 . 1 . . . . 339 Phe CE* . 25893 1 1426 . 1 1 130 130 PHE N N 15 120.170 0.100 . 1 . . . . 339 Phe N . 25893 1 1427 . 1 1 131 131 ARG H H 1 7.561 0.020 . 1 . . . . 340 Arg HN . 25893 1 1428 . 1 1 131 131 ARG HA H 1 4.002 0.020 . 1 . . . . 340 Arg HA . 25893 1 1429 . 1 1 131 131 ARG HB2 H 1 1.727 0.020 . 2 . . . . 340 Arg HB2 . 25893 1 1430 . 1 1 131 131 ARG HB3 H 1 1.727 0.020 . 2 . . . . 340 Arg HB3 . 25893 1 1431 . 1 1 131 131 ARG HD2 H 1 3.179 0.020 . 2 . . . . 340 Arg HD2 . 25893 1 1432 . 1 1 131 131 ARG HD3 H 1 3.179 0.020 . 2 . . . . 340 Arg HD3 . 25893 1 1433 . 1 1 131 131 ARG CA C 13 57.643 0.100 . 1 . . . . 340 Arg CA . 25893 1 1434 . 1 1 131 131 ARG CB C 13 30.322 0.100 . 1 . . . . 340 Arg CB . 25893 1 1435 . 1 1 131 131 ARG CD C 13 43.545 0.100 . 1 . . . . 340 Arg CD . 25893 1 1436 . 1 1 131 131 ARG CG C 13 27.058 0.100 . 1 . . . . 340 Arg CG . 25893 1 1437 . 1 1 131 131 ARG N N 15 122.452 0.100 . 1 . . . . 340 Arg N . 25893 1 1438 . 1 1 132 132 GLU H H 1 8.067 0.020 . 1 . . . . 341 Glu HN . 25893 1 1439 . 1 1 132 132 GLU HA H 1 4.238 0.020 . 1 . . . . 341 Glu HA . 25893 1 1440 . 1 1 132 132 GLU HB2 H 1 1.877 0.020 . 2 . . . . 341 Glu HB2 . 25893 1 1441 . 1 1 132 132 GLU HB3 H 1 2.068 0.020 . 2 . . . . 341 Glu HB3 . 25893 1 1442 . 1 1 132 132 GLU HG2 H 1 2.188 0.020 . 2 . . . . 341 Glu HG2 . 25893 1 1443 . 1 1 132 132 GLU HG3 H 1 2.283 0.020 . 2 . . . . 341 Glu HG3 . 25893 1 1444 . 1 1 132 132 GLU CA C 13 56.847 0.100 . 1 . . . . 341 Glu CA . 25893 1 1445 . 1 1 132 132 GLU CB C 13 29.736 0.100 . 1 . . . . 341 Glu CB . 25893 1 1446 . 1 1 132 132 GLU CG C 13 36.443 0.100 . 1 . . . . 341 Glu CG . 25893 1 1447 . 1 1 132 132 GLU N N 15 118.497 0.100 . 1 . . . . 341 Glu N . 25893 1 1448 . 1 1 133 133 ILE H H 1 7.826 0.020 . 1 . . . . 342 Ile HN . 25893 1 1449 . 1 1 133 133 ILE HA H 1 4.197 0.020 . 1 . . . . 342 Ile HA . 25893 1 1450 . 1 1 133 133 ILE HB H 1 2.072 0.020 . 1 . . . . 342 Ile HB . 25893 1 1451 . 1 1 133 133 ILE HD11 H 1 0.880 0.020 . 1 . . . . 342 Ile HD1* . 25893 1 1452 . 1 1 133 133 ILE HD12 H 1 0.880 0.020 . 1 . . . . 342 Ile HD1* . 25893 1 1453 . 1 1 133 133 ILE HD13 H 1 0.880 0.020 . 1 . . . . 342 Ile HD1* . 25893 1 1454 . 1 1 133 133 ILE HG12 H 1 1.332 0.020 . 2 . . . . 342 Ile HG11 . 25893 1 1455 . 1 1 133 133 ILE HG13 H 1 1.528 0.020 . 2 . . . . 342 Ile HG12 . 25893 1 1456 . 1 1 133 133 ILE HG21 H 1 0.984 0.020 . 1 . . . . 342 Ile HG2* . 25893 1 1457 . 1 1 133 133 ILE HG22 H 1 0.984 0.020 . 1 . . . . 342 Ile HG2* . 25893 1 1458 . 1 1 133 133 ILE HG23 H 1 0.984 0.020 . 1 . . . . 342 Ile HG2* . 25893 1 1459 . 1 1 133 133 ILE CA C 13 61.070 0.100 . 1 . . . . 342 Ile CA . 25893 1 1460 . 1 1 133 133 ILE CB C 13 37.663 0.100 . 1 . . . . 342 Ile CB . 25893 1 1461 . 1 1 133 133 ILE CD1 C 13 13.212 0.100 . 1 . . . . 342 Ile CD . 25893 1 1462 . 1 1 133 133 ILE CG1 C 13 27.598 0.100 . 1 . . . . 342 Ile CG1 . 25893 1 1463 . 1 1 133 133 ILE CG2 C 13 18.171 0.100 . 1 . . . . 342 Ile CG2 . 25893 1 1464 . 1 1 133 133 ILE N N 15 121.790 0.100 . 1 . . . . 342 Ile N . 25893 1 1465 . 1 1 134 134 SER HA H 1 3.902 0.020 . 1 . . . . 343 Ser HA . 25893 1 1466 . 1 1 134 134 SER HB2 H 1 3.881 0.020 . 2 . . . . 343 Ser HB2 . 25893 1 1467 . 1 1 134 134 SER HB3 H 1 3.955 0.020 . 2 . . . . 343 Ser HB3 . 25893 1 1468 . 1 1 134 134 SER CA C 13 62.516 0.100 . 1 . . . . 343 Ser CA . 25893 1 1469 . 1 1 134 134 SER CB C 13 62.739 0.100 . 1 . . . . 343 Ser CB . 25893 1 1470 . 1 1 135 135 TYR H H 1 8.282 0.020 . 1 . . . . 344 Tyr HN . 25893 1 1471 . 1 1 135 135 TYR HA H 1 4.129 0.020 . 1 . . . . 344 Tyr HA . 25893 1 1472 . 1 1 135 135 TYR HB2 H 1 2.768 0.020 . 2 . . . . 344 Tyr HB2 . 25893 1 1473 . 1 1 135 135 TYR HB3 H 1 3.039 0.020 . 2 . . . . 344 Tyr HB3 . 25893 1 1474 . 1 1 135 135 TYR HD1 H 1 6.965 0.020 . 1 . . . . 344 Tyr HD* . 25893 1 1475 . 1 1 135 135 TYR HD2 H 1 6.965 0.020 . 1 . . . . 344 Tyr HD* . 25893 1 1476 . 1 1 135 135 TYR HE1 H 1 6.740 0.020 . 1 . . . . 344 Tyr HE* . 25893 1 1477 . 1 1 135 135 TYR HE2 H 1 6.740 0.020 . 1 . . . . 344 Tyr HE* . 25893 1 1478 . 1 1 135 135 TYR CA C 13 61.172 0.100 . 1 . . . . 344 Tyr CA . 25893 1 1479 . 1 1 135 135 TYR CB C 13 39.118 0.100 . 1 . . . . 344 Tyr CB . 25893 1 1480 . 1 1 135 135 TYR CD1 C 13 132.767 0.100 . 1 . . . . 344 Tyr CD* . 25893 1 1481 . 1 1 135 135 TYR CD2 C 13 132.767 0.100 . 1 . . . . 344 Tyr CD* . 25893 1 1482 . 1 1 135 135 TYR CE1 C 13 118.406 0.100 . 1 . . . . 344 Tyr CE* . 25893 1 1483 . 1 1 135 135 TYR CE2 C 13 118.406 0.100 . 1 . . . . 344 Tyr CE* . 25893 1 1484 . 1 1 135 135 TYR N N 15 120.416 0.100 . 1 . . . . 344 Tyr N . 25893 1 1485 . 1 1 136 136 LEU H H 1 7.250 0.020 . 1 . . . . 345 Leu HN . 25893 1 1486 . 1 1 136 136 LEU HA H 1 4.031 0.020 . 1 . . . . 345 Leu HA . 25893 1 1487 . 1 1 136 136 LEU HB2 H 1 1.613 0.020 . 2 . . . . 345 Leu HB2 . 25893 1 1488 . 1 1 136 136 LEU HB3 H 1 1.820 0.020 . 2 . . . . 345 Leu HB3 . 25893 1 1489 . 1 1 136 136 LEU HD11 H 1 0.851 0.020 . 2 . . . . 345 Leu HD1* . 25893 1 1490 . 1 1 136 136 LEU HD12 H 1 0.851 0.020 . 2 . . . . 345 Leu HD1* . 25893 1 1491 . 1 1 136 136 LEU HD13 H 1 0.851 0.020 . 2 . . . . 345 Leu HD1* . 25893 1 1492 . 1 1 136 136 LEU HD21 H 1 0.965 0.020 . 2 . . . . 345 Leu HD2* . 25893 1 1493 . 1 1 136 136 LEU HD22 H 1 0.965 0.020 . 2 . . . . 345 Leu HD2* . 25893 1 1494 . 1 1 136 136 LEU HD23 H 1 0.965 0.020 . 2 . . . . 345 Leu HD2* . 25893 1 1495 . 1 1 136 136 LEU CA C 13 56.713 0.100 . 1 . . . . 345 Leu CA . 25893 1 1496 . 1 1 136 136 LEU CB C 13 41.538 0.100 . 1 . . . . 345 Leu CB . 25893 1 1497 . 1 1 136 136 LEU CD1 C 13 23.611 0.100 . 2 . . . . 345 Leu CD1 . 25893 1 1498 . 1 1 136 136 LEU CD2 C 13 25.639 0.100 . 2 . . . . 345 Leu CD2 . 25893 1 1499 . 1 1 136 136 LEU CG C 13 27.493 0.100 . 1 . . . . 345 Leu CG . 25893 1 1500 . 1 1 136 136 LEU N N 15 115.715 0.100 . 1 . . . . 345 Leu N . 25893 1 1501 . 1 1 137 137 LYS H H 1 7.853 0.020 . 1 . . . . 346 Lys HN . 25893 1 1502 . 1 1 137 137 LYS HA H 1 4.049 0.020 . 1 . . . . 346 Lys HA . 25893 1 1503 . 1 1 137 137 LYS HB2 H 1 1.874 0.020 . 2 . . . . 346 Lys HB2 . 25893 1 1504 . 1 1 137 137 LYS HB3 H 1 1.874 0.020 . 2 . . . . 346 Lys HB3 . 25893 1 1505 . 1 1 137 137 LYS HD2 H 1 1.691 0.020 . 2 . . . . 346 Lys HD2 . 25893 1 1506 . 1 1 137 137 LYS HD3 H 1 1.691 0.020 . 2 . . . . 346 Lys HD3 . 25893 1 1507 . 1 1 137 137 LYS HE2 H 1 2.989 0.020 . 2 . . . . 346 Lys HE2 . 25893 1 1508 . 1 1 137 137 LYS HE3 H 1 2.989 0.020 . 2 . . . . 346 Lys HE3 . 25893 1 1509 . 1 1 137 137 LYS HG2 H 1 1.451 0.020 . 2 . . . . 346 Lys HG2 . 25893 1 1510 . 1 1 137 137 LYS HG3 H 1 1.504 0.020 . 2 . . . . 346 Lys HG3 . 25893 1 1511 . 1 1 137 137 LYS CA C 13 58.746 0.100 . 1 . . . . 346 Lys CA . 25893 1 1512 . 1 1 137 137 LYS CB C 13 32.358 0.100 . 1 . . . . 346 Lys CB . 25893 1 1513 . 1 1 137 137 LYS CD C 13 29.168 0.100 . 1 . . . . 346 Lys CD . 25893 1 1514 . 1 1 137 137 LYS CE C 13 42.148 0.100 . 1 . . . . 346 Lys CE . 25893 1 1515 . 1 1 137 137 LYS CG C 13 25.080 0.100 . 1 . . . . 346 Lys CG . 25893 1 1516 . 1 1 137 137 LYS N N 15 119.314 0.100 . 1 . . . . 346 Lys N . 25893 1 1517 . 1 1 138 138 LYS H H 1 7.586 0.020 . 1 . . . . 347 Lys HN . 25893 1 1518 . 1 1 138 138 LYS HA H 1 4.159 0.020 . 1 . . . . 347 Lys HA . 25893 1 1519 . 1 1 138 138 LYS HB2 H 1 1.730 0.020 . 2 . . . . 347 Lys HB2 . 25893 1 1520 . 1 1 138 138 LYS HB3 H 1 1.859 0.020 . 2 . . . . 347 Lys HB3 . 25893 1 1521 . 1 1 138 138 LYS HD2 H 1 1.586 0.020 . 2 . . . . 347 Lys HD2 . 25893 1 1522 . 1 1 138 138 LYS HD3 H 1 1.586 0.020 . 2 . . . . 347 Lys HD3 . 25893 1 1523 . 1 1 138 138 LYS HE2 H 1 2.913 0.020 . 2 . . . . 347 Lys HE2 . 25893 1 1524 . 1 1 138 138 LYS HE3 H 1 2.913 0.020 . 2 . . . . 347 Lys HE3 . 25893 1 1525 . 1 1 138 138 LYS HG2 H 1 1.384 0.020 . 2 . . . . 347 Lys HG2 . 25893 1 1526 . 1 1 138 138 LYS HG3 H 1 1.410 0.020 . 2 . . . . 347 Lys HG3 . 25893 1 1527 . 1 1 138 138 LYS CA C 13 57.168 0.100 . 1 . . . . 347 Lys CA . 25893 1 1528 . 1 1 138 138 LYS CB C 13 32.691 0.100 . 1 . . . . 347 Lys CB . 25893 1 1529 . 1 1 138 138 LYS CD C 13 29.210 0.100 . 1 . . . . 347 Lys CD . 25893 1 1530 . 1 1 138 138 LYS CE C 13 42.190 0.100 . 1 . . . . 347 Lys CE . 25893 1 1531 . 1 1 138 138 LYS CG C 13 25.080 0.100 . 1 . . . . 347 Lys CG . 25893 1 1532 . 1 1 138 138 LYS N N 15 116.623 0.100 . 1 . . . . 347 Lys N . 25893 1 1533 . 1 1 139 139 LEU H H 1 7.326 0.020 . 1 . . . . 348 Leu HN . 25893 1 1534 . 1 1 139 139 LEU HA H 1 4.157 0.020 . 1 . . . . 348 Leu HA . 25893 1 1535 . 1 1 139 139 LEU HB2 H 1 1.557 0.020 . 2 . . . . 348 Leu HB2 . 25893 1 1536 . 1 1 139 139 LEU HB3 H 1 1.557 0.020 . 2 . . . . 348 Leu HB3 . 25893 1 1537 . 1 1 139 139 LEU HD11 H 1 0.770 0.020 . 2 . . . . 348 Leu HD1* . 25893 1 1538 . 1 1 139 139 LEU HD12 H 1 0.770 0.020 . 2 . . . . 348 Leu HD1* . 25893 1 1539 . 1 1 139 139 LEU HD13 H 1 0.770 0.020 . 2 . . . . 348 Leu HD1* . 25893 1 1540 . 1 1 139 139 LEU HD21 H 1 0.809 0.020 . 1 . . . . 348 Leu HD2* . 25893 1 1541 . 1 1 139 139 LEU HD22 H 1 0.809 0.020 . 1 . . . . 348 Leu HD2* . 25893 1 1542 . 1 1 139 139 LEU HD23 H 1 0.809 0.020 . 1 . . . . 348 Leu HD2* . 25893 1 1543 . 1 1 139 139 LEU CA C 13 55.580 0.100 . 1 . . . . 348 Leu CA . 25893 1 1544 . 1 1 139 139 LEU CB C 13 42.148 0.100 . 1 . . . . 348 Leu CB . 25893 1 1545 . 1 1 139 139 LEU CD1 C 13 24.085 0.100 . 2 . . . . 348 Leu CD1 . 25893 1 1546 . 1 1 139 139 LEU CD2 C 13 25.043 0.100 . 2 . . . . 348 Leu CD2 . 25893 1 1547 . 1 1 139 139 LEU N N 15 120.125 0.100 . 1 . . . . 348 Leu N . 25893 1 1548 . 1 1 140 140 LYS H H 1 7.997 0.020 . 1 . . . . 349 Lys HN . 25893 1 1549 . 1 1 140 140 LYS HA H 1 4.302 0.020 . 1 . . . . 349 Lys HA . 25893 1 1550 . 1 1 140 140 LYS HB2 H 1 1.804 0.020 . 2 . . . . 349 Lys HB2 . 25893 1 1551 . 1 1 140 140 LYS HB3 H 1 1.804 0.020 . 2 . . . . 349 Lys HB3 . 25893 1 1552 . 1 1 140 140 LYS CA C 13 56.473 0.100 . 1 . . . . 349 Lys CA . 25893 1 1553 . 1 1 140 140 LYS CB C 13 32.569 0.100 . 1 . . . . 349 Lys CB . 25893 1 1554 . 1 1 140 140 LYS CD C 13 29.210 0.100 . 1 . . . . 349 Lys CD . 25893 1 1555 . 1 1 140 140 LYS CE C 13 42.275 0.100 . 1 . . . . 349 Lys CE . 25893 1 1556 . 1 1 140 140 LYS N N 15 121.856 0.100 . 1 . . . . 349 Lys N . 25893 1 1557 . 1 1 141 141 VAL H H 1 7.888 0.020 . 1 . . . . 350 Val HN . 25893 1 1558 . 1 1 141 141 VAL HA H 1 4.130 0.020 . 1 . . . . 350 Val HA . 25893 1 1559 . 1 1 141 141 VAL HB H 1 2.096 0.020 . 1 . . . . 350 Val HB . 25893 1 1560 . 1 1 141 141 VAL HG11 H 1 0.881 0.020 . 2 . . . . 350 Val HG1* . 25893 1 1561 . 1 1 141 141 VAL HG12 H 1 0.881 0.020 . 2 . . . . 350 Val HG1* . 25893 1 1562 . 1 1 141 141 VAL HG13 H 1 0.881 0.020 . 2 . . . . 350 Val HG1* . 25893 1 1563 . 1 1 141 141 VAL HG21 H 1 0.912 0.020 . 2 . . . . 350 Val HG2* . 25893 1 1564 . 1 1 141 141 VAL HG22 H 1 0.912 0.020 . 2 . . . . 350 Val HG2* . 25893 1 1565 . 1 1 141 141 VAL HG23 H 1 0.912 0.020 . 2 . . . . 350 Val HG2* . 25893 1 1566 . 1 1 141 141 VAL CA C 13 61.968 0.100 . 1 . . . . 350 Val CA . 25893 1 1567 . 1 1 141 141 VAL CB C 13 33.323 0.100 . 1 . . . . 350 Val CB . 25893 1 1568 . 1 1 141 141 VAL CG1 C 13 20.694 0.100 . 2 . . . . 350 Val CG1 . 25893 1 1569 . 1 1 141 141 VAL CG2 C 13 21.801 0.100 . 2 . . . . 350 Val CG2 . 25893 1 1570 . 1 1 141 141 VAL N N 15 119.849 0.100 . 1 . . . . 350 Val N . 25893 1 1571 . 1 1 142 142 LYS H H 1 8.236 0.020 . 1 . . . . 351 Lys HN . 25893 1 1572 . 1 1 142 142 LYS HA H 1 4.363 0.020 . 1 . . . . 351 Lys HA . 25893 1 1573 . 1 1 142 142 LYS HB2 H 1 1.740 0.020 . 2 . . . . 351 Lys HB2 . 25893 1 1574 . 1 1 142 142 LYS HB3 H 1 1.817 0.020 . 2 . . . . 351 Lys HB3 . 25893 1 1575 . 1 1 142 142 LYS HG2 H 1 1.437 0.020 . 2 . . . . 351 Lys HG2 . 25893 1 1576 . 1 1 142 142 LYS HG3 H 1 1.505 0.020 . 2 . . . . 351 Lys HG3 . 25893 1 1577 . 1 1 142 142 LYS CA C 13 55.840 0.100 . 1 . . . . 351 Lys CA . 25893 1 1578 . 1 1 142 142 LYS CB C 13 33.573 0.100 . 1 . . . . 351 Lys CB . 25893 1 1579 . 1 1 142 142 LYS CD C 13 29.247 0.100 . 1 . . . . 351 Lys CD . 25893 1 1580 . 1 1 142 142 LYS CE C 13 42.466 0.100 . 1 . . . . 351 Lys CE . 25893 1 1581 . 1 1 142 142 LYS CG C 13 24.991 0.100 . 1 . . . . 351 Lys CG . 25893 1 1582 . 1 1 142 142 LYS N N 15 124.858 0.100 . 1 . . . . 351 Lys N . 25893 1 1583 . 1 1 143 143 LYS H H 1 8.240 0.020 . 1 . . . . 352 Lys HN . 25893 1 1584 . 1 1 143 143 LYS HA H 1 4.358 0.020 . 1 . . . . 352 Lys HA . 25893 1 1585 . 1 1 143 143 LYS HB2 H 1 1.769 0.020 . 2 . . . . 352 Lys HB2 . 25893 1 1586 . 1 1 143 143 LYS HB3 H 1 1.774 0.020 . 2 . . . . 352 Lys HB3 . 25893 1 1587 . 1 1 143 143 LYS HD2 H 1 1.685 0.020 . 2 . . . . 352 Lys HD2 . 25893 1 1588 . 1 1 143 143 LYS HD3 H 1 1.685 0.020 . 2 . . . . 352 Lys HD3 . 25893 1 1589 . 1 1 143 143 LYS HE2 H 1 3.008 0.020 . 2 . . . . 352 Lys HE2 . 25893 1 1590 . 1 1 143 143 LYS HE3 H 1 3.008 0.020 . 2 . . . . 352 Lys HE3 . 25893 1 1591 . 1 1 143 143 LYS HG2 H 1 1.409 0.020 . 2 . . . . 352 Lys HG2 . 25893 1 1592 . 1 1 143 143 LYS HG3 H 1 1.416 0.020 . 2 . . . . 352 Lys HG3 . 25893 1 1593 . 1 1 143 143 LYS CA C 13 56.721 0.100 . 1 . . . . 352 Lys CA . 25893 1 1594 . 1 1 143 143 LYS CB C 13 32.700 0.100 . 1 . . . . 352 Lys CB . 25893 1 1595 . 1 1 143 143 LYS CD C 13 29.123 0.100 . 1 . . . . 352 Lys CD . 25893 1 1596 . 1 1 143 143 LYS CE C 13 41.911 0.100 . 1 . . . . 352 Lys CE . 25893 1 1597 . 1 1 143 143 LYS CG C 13 24.412 0.100 . 1 . . . . 352 Lys CG . 25893 1 1598 . 1 1 143 143 LYS N N 15 123.046 0.100 . 1 . . . . 352 Lys N . 25893 1 1599 . 1 1 144 144 GLN H H 1 8.586 0.020 . 1 . . . . 353 Gln HN . 25893 1 1600 . 1 1 144 144 GLN HA H 1 4.663 0.020 . 1 . . . . 353 Gln HA . 25893 1 1601 . 1 1 144 144 GLN HB2 H 1 2.027 0.020 . 2 . . . . 353 Gln HB2 . 25893 1 1602 . 1 1 144 144 GLN HB3 H 1 2.145 0.020 . 2 . . . . 353 Gln HB3 . 25893 1 1603 . 1 1 144 144 GLN HE21 H 1 7.649 0.020 . 1 . . . . 353 Gln HE21 . 25893 1 1604 . 1 1 144 144 GLN HE22 H 1 6.621 0.020 . 1 . . . . 353 Gln HE22 . 25893 1 1605 . 1 1 144 144 GLN HG2 H 1 2.147 0.020 . 2 . . . . 353 Gln HG2 . 25893 1 1606 . 1 1 144 144 GLN HG3 H 1 2.444 0.020 . 2 . . . . 353 Gln HG3 . 25893 1 1607 . 1 1 144 144 GLN CA C 13 54.856 0.100 . 1 . . . . 353 Gln CA . 25893 1 1608 . 1 1 144 144 GLN CB C 13 31.787 0.100 . 1 . . . . 353 Gln CB . 25893 1 1609 . 1 1 144 144 GLN CG C 13 33.304 0.100 . 1 . . . . 353 Gln CG . 25893 1 1610 . 1 1 144 144 GLN N N 15 122.423 0.100 . 1 . . . . 353 Gln N . 25893 1 1611 . 1 1 144 144 GLN NE2 N 15 111.708 0.100 . 1 . . . . 353 Gln NE2 . 25893 1 1612 . 1 1 145 145 ASP H H 1 8.235 0.020 . 1 . . . . 354 Asp HN . 25893 1 1613 . 1 1 145 145 ASP HA H 1 4.938 0.020 . 1 . . . . 354 Asp HA . 25893 1 1614 . 1 1 145 145 ASP HB2 H 1 2.449 0.020 . 2 . . . . 354 Asp HB2 . 25893 1 1615 . 1 1 145 145 ASP HB3 H 1 2.741 0.020 . 2 . . . . 354 Asp HB3 . 25893 1 1616 . 1 1 145 145 ASP CA C 13 53.497 0.100 . 1 . . . . 354 Asp CA . 25893 1 1617 . 1 1 145 145 ASP CB C 13 42.637 0.100 . 1 . . . . 354 Asp CB . 25893 1 1618 . 1 1 145 145 ASP N N 15 119.231 0.100 . 1 . . . . 354 Asp N . 25893 1 1619 . 1 1 146 146 ARG H H 1 8.292 0.020 . 1 . . . . 355 Arg HN . 25893 1 1620 . 1 1 146 146 ARG HA H 1 3.512 0.020 . 1 . . . . 355 Arg HA . 25893 1 1621 . 1 1 146 146 ARG HB2 H 1 0.148 0.020 . 2 . . . . 355 Arg HB2 . 25893 1 1622 . 1 1 146 146 ARG HB3 H 1 1.063 0.020 . 2 . . . . 355 Arg HB3 . 25893 1 1623 . 1 1 146 146 ARG HD2 H 1 2.082 0.020 . 2 . . . . 355 Arg HD2 . 25893 1 1624 . 1 1 146 146 ARG HD3 H 1 2.295 0.020 . 2 . . . . 355 Arg HD3 . 25893 1 1625 . 1 1 146 146 ARG HG2 H 1 0.365 0.020 . 2 . . . . 355 Arg HG2 . 25893 1 1626 . 1 1 146 146 ARG HG3 H 1 0.543 0.020 . 2 . . . . 355 Arg HG3 . 25893 1 1627 . 1 1 146 146 ARG CA C 13 56.848 0.100 . 1 . . . . 355 Arg CA . 25893 1 1628 . 1 1 146 146 ARG CB C 13 30.356 0.100 . 1 . . . . 355 Arg CB . 25893 1 1629 . 1 1 146 146 ARG CD C 13 43.736 0.100 . 1 . . . . 355 Arg CD . 25893 1 1630 . 1 1 146 146 ARG CG C 13 27.207 0.100 . 1 . . . . 355 Arg CG . 25893 1 1631 . 1 1 146 146 ARG N N 15 124.335 0.100 . 1 . . . . 355 Arg N . 25893 1 1632 . 1 1 147 147 ILE H H 1 8.822 0.020 . 1 . . . . 356 Ile HN . 25893 1 1633 . 1 1 147 147 ILE HA H 1 4.120 0.020 . 1 . . . . 356 Ile HA . 25893 1 1634 . 1 1 147 147 ILE HB H 1 1.481 0.020 . 1 . . . . 356 Ile HB . 25893 1 1635 . 1 1 147 147 ILE HD11 H 1 0.773 0.020 . 1 . . . . 356 Ile HD1* . 25893 1 1636 . 1 1 147 147 ILE HD12 H 1 0.773 0.020 . 1 . . . . 356 Ile HD1* . 25893 1 1637 . 1 1 147 147 ILE HD13 H 1 0.773 0.020 . 1 . . . . 356 Ile HD1* . 25893 1 1638 . 1 1 147 147 ILE HG12 H 1 1.086 0.020 . 2 . . . . 356 Ile HG11 . 25893 1 1639 . 1 1 147 147 ILE HG13 H 1 1.558 0.020 . 2 . . . . 356 Ile HG12 . 25893 1 1640 . 1 1 147 147 ILE HG21 H 1 0.857 0.020 . 1 . . . . 356 Ile HG2* . 25893 1 1641 . 1 1 147 147 ILE HG22 H 1 0.857 0.020 . 1 . . . . 356 Ile HG2* . 25893 1 1642 . 1 1 147 147 ILE HG23 H 1 0.857 0.020 . 1 . . . . 356 Ile HG2* . 25893 1 1643 . 1 1 147 147 ILE CA C 13 60.790 0.100 . 1 . . . . 356 Ile CA . 25893 1 1644 . 1 1 147 147 ILE CB C 13 39.285 0.100 . 1 . . . . 356 Ile CB . 25893 1 1645 . 1 1 147 147 ILE CD1 C 13 13.940 0.100 . 1 . . . . 356 Ile CD . 25893 1 1646 . 1 1 147 147 ILE CG1 C 13 27.557 0.100 . 1 . . . . 356 Ile CG1 . 25893 1 1647 . 1 1 147 147 ILE CG2 C 13 18.401 0.100 . 1 . . . . 356 Ile CG2 . 25893 1 1648 . 1 1 147 147 ILE N N 15 127.765 0.100 . 1 . . . . 356 Ile N . 25893 1 1649 . 1 1 148 148 PHE H H 1 8.669 0.020 . 1 . . . . 357 Phe HN . 25893 1 1650 . 1 1 148 148 PHE HA H 1 4.830 0.020 . 1 . . . . 357 Phe HA . 25893 1 1651 . 1 1 148 148 PHE HB2 H 1 2.687 0.020 . 2 . . . . 357 Phe HB2 . 25893 1 1652 . 1 1 148 148 PHE HB3 H 1 3.111 0.020 . 2 . . . . 357 Phe HB3 . 25893 1 1653 . 1 1 148 148 PHE HD1 H 1 7.352 0.020 . 1 . . . . 357 Phe HD* . 25893 1 1654 . 1 1 148 148 PHE HD2 H 1 7.352 0.020 . 1 . . . . 357 Phe HD* . 25893 1 1655 . 1 1 148 148 PHE HE1 H 1 7.382 0.020 . 1 . . . . 357 Phe HE1 . 25893 1 1656 . 1 1 148 148 PHE CA C 13 55.980 0.100 . 1 . . . . 357 Phe CA . 25893 1 1657 . 1 1 148 148 PHE CB C 13 40.278 0.100 . 1 . . . . 357 Phe CB . 25893 1 1658 . 1 1 148 148 PHE CD1 C 13 132.529 0.100 . 1 . . . . 357 Phe CD* . 25893 1 1659 . 1 1 148 148 PHE CD2 C 13 132.529 0.100 . 1 . . . . 357 Phe CD* . 25893 1 1660 . 1 1 148 148 PHE CE1 C 13 131.258 0.100 . 1 . . . . 357 Phe CE* . 25893 1 1661 . 1 1 148 148 PHE CE2 C 13 131.258 0.100 . 1 . . . . 357 Phe CE* . 25893 1 1662 . 1 1 148 148 PHE N N 15 125.437 0.100 . 1 . . . . 357 Phe N . 25893 1 1663 . 1 1 149 149 PRO HA H 1 4.615 0.020 . 1 . . . . 358 Pro HA . 25893 1 1664 . 1 1 149 149 PRO HB2 H 1 2.033 0.020 . 2 . . . . 358 Pro HB2 . 25893 1 1665 . 1 1 149 149 PRO HB3 H 1 2.419 0.020 . 2 . . . . 358 Pro HB3 . 25893 1 1666 . 1 1 149 149 PRO HD2 H 1 3.935 0.020 . 2 . . . . 358 Pro HD2 . 25893 1 1667 . 1 1 149 149 PRO HD3 H 1 4.016 0.020 . 2 . . . . 358 Pro HD3 . 25893 1 1668 . 1 1 149 149 PRO HG2 H 1 2.134 0.020 . 2 . . . . 358 Pro HG2 . 25893 1 1669 . 1 1 149 149 PRO HG3 H 1 2.236 0.020 . 2 . . . . 358 Pro HG3 . 25893 1 1670 . 1 1 149 149 PRO CA C 13 61.447 0.100 . 1 . . . . 358 Pro CA . 25893 1 1671 . 1 1 149 149 PRO CB C 13 31.023 0.100 . 1 . . . . 358 Pro CB . 25893 1 1672 . 1 1 149 149 PRO CD C 13 50.921 0.100 . 1 . . . . 358 Pro CD . 25893 1 1673 . 1 1 149 149 PRO CG C 13 27.728 0.100 . 1 . . . . 358 Pro CG . 25893 1 1674 . 1 1 150 150 PRO HA H 1 4.502 0.020 . 1 . . . . 359 Pro HA . 25893 1 1675 . 1 1 150 150 PRO HB2 H 1 1.964 0.020 . 2 . . . . 359 Pro HB2 . 25893 1 1676 . 1 1 150 150 PRO HB3 H 1 2.339 0.020 . 2 . . . . 359 Pro HB3 . 25893 1 1677 . 1 1 150 150 PRO HD2 H 1 3.748 0.020 . 2 . . . . 359 Pro HD2 . 25893 1 1678 . 1 1 150 150 PRO HD3 H 1 3.748 0.020 . 2 . . . . 359 Pro HD3 . 25893 1 1679 . 1 1 150 150 PRO HG2 H 1 2.074 0.020 . 2 . . . . 359 Pro HG2 . 25893 1 1680 . 1 1 150 150 PRO HG3 H 1 2.074 0.020 . 2 . . . . 359 Pro HG3 . 25893 1 1681 . 1 1 150 150 PRO CA C 13 63.244 0.100 . 1 . . . . 359 Pro CA . 25893 1 1682 . 1 1 150 150 PRO CB C 13 31.969 0.100 . 1 . . . . 359 Pro CB . 25893 1 1683 . 1 1 150 150 PRO CD C 13 50.577 0.100 . 1 . . . . 359 Pro CD . 25893 1 1684 . 1 1 150 150 PRO CG C 13 27.511 0.100 . 1 . . . . 359 Pro CG . 25893 1 1685 . 1 1 151 151 GLU H H 1 8.652 0.020 . 1 . . . . 360 Glu HN . 25893 1 1686 . 1 1 151 151 GLU HA H 1 4.345 0.020 . 1 . . . . 360 Glu HA . 25893 1 1687 . 1 1 151 151 GLU HB2 H 1 2.009 0.020 . 2 . . . . 360 Glu HB2 . 25893 1 1688 . 1 1 151 151 GLU HB3 H 1 2.073 0.020 . 2 . . . . 360 Glu HB3 . 25893 1 1689 . 1 1 151 151 GLU HG2 H 1 2.300 0.020 . 2 . . . . 360 Glu HG2 . 25893 1 1690 . 1 1 151 151 GLU HG3 H 1 2.300 0.020 . 2 . . . . 360 Glu HG3 . 25893 1 1691 . 1 1 151 151 GLU CA C 13 57.036 0.100 . 1 . . . . 360 Glu CA . 25893 1 1692 . 1 1 151 151 GLU CB C 13 30.302 0.100 . 1 . . . . 360 Glu CB . 25893 1 1693 . 1 1 151 151 GLU CG C 13 36.415 0.100 . 1 . . . . 360 Glu CG . 25893 1 1694 . 1 1 151 151 GLU N N 15 121.088 0.100 . 1 . . . . 360 Glu N . 25893 1 1695 . 1 1 152 152 THR H H 1 8.223 0.020 . 1 . . . . 361 Thr HN . 25893 1 1696 . 1 1 152 152 THR HA H 1 4.414 0.020 . 1 . . . . 361 Thr HA . 25893 1 1697 . 1 1 152 152 THR HB H 1 4.265 0.020 . 1 . . . . 361 Thr HB . 25893 1 1698 . 1 1 152 152 THR HG21 H 1 1.236 0.020 . 1 . . . . 361 Thr HG2* . 25893 1 1699 . 1 1 152 152 THR HG22 H 1 1.236 0.020 . 1 . . . . 361 Thr HG2* . 25893 1 1700 . 1 1 152 152 THR HG23 H 1 1.236 0.020 . 1 . . . . 361 Thr HG2* . 25893 1 1701 . 1 1 152 152 THR CA C 13 61.879 0.100 . 1 . . . . 361 Thr CA . 25893 1 1702 . 1 1 152 152 THR CB C 13 69.992 0.100 . 1 . . . . 361 Thr CB . 25893 1 1703 . 1 1 152 152 THR CG2 C 13 21.818 0.100 . 1 . . . . 361 Thr CG2 . 25893 1 1704 . 1 1 152 152 THR N N 15 114.538 0.100 . 1 . . . . 361 Thr N . 25893 1 1705 . 1 1 153 153 SER H H 1 8.307 0.020 . 1 . . . . 362 Ser HN . 25893 1 1706 . 1 1 153 153 SER HA H 1 4.453 0.020 . 1 . . . . 362 Ser HA . 25893 1 1707 . 1 1 153 153 SER HB2 H 1 3.889 0.020 . 2 . . . . 362 Ser HB2 . 25893 1 1708 . 1 1 153 153 SER HB3 H 1 3.917 0.020 . 2 . . . . 362 Ser HB3 . 25893 1 1709 . 1 1 153 153 SER CA C 13 58.489 0.100 . 1 . . . . 362 Ser CA . 25893 1 1710 . 1 1 153 153 SER CB C 13 64.087 0.100 . 1 . . . . 362 Ser CB . 25893 1 1711 . 1 1 153 153 SER N N 15 118.069 0.100 . 1 . . . . 362 Ser N . 25893 1 1712 . 1 1 154 154 ASN H H 1 8.358 0.020 . 1 . . . . 363 Asn HN . 25893 1 1713 . 1 1 154 154 ASN HA H 1 4.678 0.020 . 1 . . . . 363 Asn HA . 25893 1 1714 . 1 1 154 154 ASN HB2 H 1 2.775 0.020 . 2 . . . . 363 Asn HB2 . 25893 1 1715 . 1 1 154 154 ASN HB3 H 1 2.777 0.020 . 2 . . . . 363 Asn HB3 . 25893 1 1716 . 1 1 154 154 ASN HD21 H 1 7.785 0.020 . 1 . . . . 363 Asn HD21 . 25893 1 1717 . 1 1 154 154 ASN HD22 H 1 7.052 0.020 . 1 . . . . 363 Asn HD22 . 25893 1 1718 . 1 1 154 154 ASN CA C 13 53.848 0.100 . 1 . . . . 363 Asn CA . 25893 1 1719 . 1 1 154 154 ASN CB C 13 38.766 0.100 . 1 . . . . 363 Asn CB . 25893 1 1720 . 1 1 154 154 ASN N N 15 123.536 0.100 . 1 . . . . 363 Asn N . 25893 1 1721 . 1 1 154 154 ASN ND2 N 15 113.797 0.100 . 1 . . . . 363 Asn ND2 . 25893 1 1722 . 1 1 155 155 SER H H 1 8.589 0.020 . 1 . . . . 364 Ser HN . 25893 1 1723 . 1 1 155 155 SER HA H 1 4.474 0.020 . 1 . . . . 364 Ser HA . 25893 1 1724 . 1 1 155 155 SER HB2 H 1 3.876 0.020 . 2 . . . . 364 Ser HB2 . 25893 1 1725 . 1 1 155 155 SER HB3 H 1 3.940 0.020 . 2 . . . . 364 Ser HB3 . 25893 1 1726 . 1 1 155 155 SER CA C 13 58.831 0.100 . 1 . . . . 364 Ser CA . 25893 1 1727 . 1 1 155 155 SER CB C 13 63.871 0.100 . 1 . . . . 364 Ser CB . 25893 1 1728 . 1 1 155 155 SER N N 15 122.516 0.100 . 1 . . . . 364 Ser N . 25893 1 1729 . 1 1 156 156 SER H H 1 8.340 0.020 . 1 . . . . 365 Ser HN . 25893 1 1730 . 1 1 156 156 SER HA H 1 4.456 0.020 . 1 . . . . 365 Ser HA . 25893 1 1731 . 1 1 156 156 SER HB2 H 1 3.917 0.020 . 2 . . . . 365 Ser HB2 . 25893 1 1732 . 1 1 156 156 SER HB3 H 1 3.917 0.020 . 2 . . . . 365 Ser HB3 . 25893 1 1733 . 1 1 156 156 SER CA C 13 59.026 0.100 . 1 . . . . 365 Ser CA . 25893 1 1734 . 1 1 156 156 SER CB C 13 63.959 0.100 . 1 . . . . 365 Ser CB . 25893 1 1735 . 1 1 156 156 SER N N 15 117.666 0.100 . 1 . . . . 365 Ser N . 25893 1 1736 . 1 1 157 157 GLY H H 1 8.340 0.020 . 1 . . . . 366 Gly HN . 25893 1 1737 . 1 1 157 157 GLY HA2 H 1 3.965 0.020 . 2 . . . . 366 Gly HA2 . 25893 1 1738 . 1 1 157 157 GLY HA3 H 1 3.965 0.020 . 2 . . . . 366 Gly HA3 . 25893 1 1739 . 1 1 157 157 GLY CA C 13 45.475 0.100 . 1 . . . . 366 Gly CA . 25893 1 1740 . 1 1 157 157 GLY N N 15 110.679 0.100 . 1 . . . . 366 Gly N . 25893 1 1741 . 1 1 158 158 ARG H H 1 8.011 0.020 . 1 . . . . 367 Arg HN . 25893 1 1742 . 1 1 158 158 ARG HA H 1 4.356 0.020 . 1 . . . . 367 Arg HA . 25893 1 1743 . 1 1 158 158 ARG HB2 H 1 1.744 0.020 . 2 . . . . 367 Arg HB2 . 25893 1 1744 . 1 1 158 158 ARG HB3 H 1 1.812 0.020 . 2 . . . . 367 Arg HB3 . 25893 1 1745 . 1 1 158 158 ARG HD2 H 1 3.191 0.020 . 2 . . . . 367 Arg HD2 . 25893 1 1746 . 1 1 158 158 ARG HD3 H 1 3.191 0.020 . 2 . . . . 367 Arg HD3 . 25893 1 1747 . 1 1 158 158 ARG HG2 H 1 1.565 0.020 . 2 . . . . 367 Arg HG2 . 25893 1 1748 . 1 1 158 158 ARG HG3 H 1 1.607 0.020 . 2 . . . . 367 Arg HG3 . 25893 1 1749 . 1 1 158 158 ARG CA C 13 56.156 0.100 . 1 . . . . 367 Arg CA . 25893 1 1750 . 1 1 158 158 ARG CB C 13 31.088 0.100 . 1 . . . . 367 Arg CB . 25893 1 1751 . 1 1 158 158 ARG CD C 13 43.504 0.100 . 1 . . . . 367 Arg CD . 25893 1 1752 . 1 1 158 158 ARG CG C 13 27.245 0.100 . 1 . . . . 367 Arg CG . 25893 1 1753 . 1 1 158 158 ARG N N 15 120.646 0.100 . 1 . . . . 367 Arg N . 25893 1 1754 . 1 1 159 159 ILE H H 1 8.254 0.020 . 1 . . . . 368 Ile HN . 25893 1 1755 . 1 1 159 159 ILE HA H 1 4.196 0.020 . 1 . . . . 368 Ile HA . 25893 1 1756 . 1 1 159 159 ILE HB H 1 1.853 0.020 . 1 . . . . 368 Ile HB . 25893 1 1757 . 1 1 159 159 ILE HD11 H 1 0.849 0.020 . 1 . . . . 368 Ile HD1* . 25893 1 1758 . 1 1 159 159 ILE HD12 H 1 0.849 0.020 . 1 . . . . 368 Ile HD1* . 25893 1 1759 . 1 1 159 159 ILE HD13 H 1 0.849 0.020 . 1 . . . . 368 Ile HD1* . 25893 1 1760 . 1 1 159 159 ILE HG12 H 1 1.191 0.020 . 2 . . . . 368 Ile HG11 . 25893 1 1761 . 1 1 159 159 ILE HG13 H 1 1.485 0.020 . 2 . . . . 368 Ile HG12 . 25893 1 1762 . 1 1 159 159 ILE HG21 H 1 0.875 0.020 . 1 . . . . 368 Ile HG2* . 25893 1 1763 . 1 1 159 159 ILE HG22 H 1 0.875 0.020 . 1 . . . . 368 Ile HG2* . 25893 1 1764 . 1 1 159 159 ILE HG23 H 1 0.875 0.020 . 1 . . . . 368 Ile HG2* . 25893 1 1765 . 1 1 159 159 ILE CA C 13 61.167 0.100 . 1 . . . . 368 Ile CA . 25893 1 1766 . 1 1 159 159 ILE CB C 13 38.616 0.100 . 1 . . . . 368 Ile CB . 25893 1 1767 . 1 1 159 159 ILE CD1 C 13 12.790 0.100 . 1 . . . . 368 Ile CD . 25893 1 1768 . 1 1 159 159 ILE CG1 C 13 27.378 0.100 . 1 . . . . 368 Ile CG1 . 25893 1 1769 . 1 1 159 159 ILE CG2 C 13 17.580 0.100 . 1 . . . . 368 Ile CG2 . 25893 1 1770 . 1 1 159 159 ILE N N 15 123.253 0.100 . 1 . . . . 368 Ile N . 25893 1 1771 . 1 1 160 160 VAL H H 1 8.317 0.020 . 1 . . . . 369 Val HN . 25893 1 1772 . 1 1 160 160 VAL HA H 1 4.229 0.020 . 1 . . . . 369 Val HA . 25893 1 1773 . 1 1 160 160 VAL HB H 1 2.086 0.020 . 1 . . . . 369 Val HB . 25893 1 1774 . 1 1 160 160 VAL HG11 H 1 0.943 0.020 . 2 . . . . 369 Val HG1* . 25893 1 1775 . 1 1 160 160 VAL HG12 H 1 0.943 0.020 . 2 . . . . 369 Val HG1* . 25893 1 1776 . 1 1 160 160 VAL HG13 H 1 0.943 0.020 . 2 . . . . 369 Val HG1* . 25893 1 1777 . 1 1 160 160 VAL HG21 H 1 0.950 0.020 . 2 . . . . 369 Val HG2* . 25893 1 1778 . 1 1 160 160 VAL HG22 H 1 0.950 0.020 . 2 . . . . 369 Val HG2* . 25893 1 1779 . 1 1 160 160 VAL HG23 H 1 0.950 0.020 . 2 . . . . 369 Val HG2* . 25893 1 1780 . 1 1 160 160 VAL CA C 13 62.315 0.100 . 1 . . . . 369 Val CA . 25893 1 1781 . 1 1 160 160 VAL CB C 13 32.928 0.100 . 1 . . . . 369 Val CB . 25893 1 1782 . 1 1 160 160 VAL CG1 C 13 20.649 0.100 . 2 . . . . 369 Val CG1 . 25893 1 1783 . 1 1 160 160 VAL CG2 C 13 21.400 0.100 . 2 . . . . 369 Val CG2 . 25893 1 1784 . 1 1 160 160 VAL N N 15 125.598 0.100 . 1 . . . . 369 Val N . 25893 1 1785 . 1 1 161 161 THR H H 1 8.250 0.020 . 1 . . . . 370 Thr HN . 25893 1 1786 . 1 1 161 161 THR HA H 1 4.414 0.020 . 1 . . . . 370 Thr HA . 25893 1 1787 . 1 1 161 161 THR HB H 1 4.297 0.020 . 1 . . . . 370 Thr HB . 25893 1 1788 . 1 1 161 161 THR HG21 H 1 1.178 0.020 . 1 . . . . 370 Thr HG2* . 25893 1 1789 . 1 1 161 161 THR HG22 H 1 1.178 0.020 . 1 . . . . 370 Thr HG2* . 25893 1 1790 . 1 1 161 161 THR HG23 H 1 1.178 0.020 . 1 . . . . 370 Thr HG2* . 25893 1 1791 . 1 1 161 161 THR CA C 13 61.393 0.100 . 1 . . . . 370 Thr CA . 25893 1 1792 . 1 1 161 161 THR CB C 13 70.085 0.100 . 1 . . . . 370 Thr CB . 25893 1 1793 . 1 1 161 161 THR CG2 C 13 21.478 0.100 . 1 . . . . 370 Thr CG2 . 25893 1 1794 . 1 1 161 161 THR N N 15 118.156 0.100 . 1 . . . . 370 Thr N . 25893 1 1795 . 1 1 162 162 ASP H H 1 7.927 0.020 . 1 . . . . 371 Asp HN . 25893 1 1796 . 1 1 162 162 ASP HA H 1 4.403 0.020 . 1 . . . . 371 Asp HA . 25893 1 1797 . 1 1 162 162 ASP HB2 H 1 2.566 0.020 . 2 . . . . 371 Asp HB2 . 25893 1 1798 . 1 1 162 162 ASP HB3 H 1 2.668 0.020 . 2 . . . . 371 Asp HB3 . 25893 1 1799 . 1 1 162 162 ASP CA C 13 56.051 0.100 . 1 . . . . 371 Asp CA . 25893 1 1800 . 1 1 162 162 ASP CB C 13 42.408 0.100 . 1 . . . . 371 Asp CB . 25893 1 1801 . 1 1 162 162 ASP N N 15 128.214 0.100 . 1 . . . . 371 Asp N . 25893 1 stop_ save_