data_27287 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27287 _Entry.Title ; Catalytic Domain of Human Aprataxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-18 _Entry.Accession_date 2017-10-18 _Entry.Last_release_date 2017-10-18 _Entry.Original_release_date 2017-10-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Geoffrey Mueller . . . . 27287 2 Percy Tumbale . . . . 27287 3 Matthew Schellenberg . . . . 27287 4 Scott Williams . . . . 27287 5 Robert London . . . . 27287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 312 27287 '15N chemical shifts' 149 27287 '1H chemical shifts' 149 27287 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-07-17 . original BMRB . 27287 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27287 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29934293 _Citation.Full_citation . _Citation.Title ; Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 37 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1460-2075 _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 e98875 _Citation.Page_last e98875 _Citation.Year 2018 _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 Percy Tumbale P. . . . 27287 1 2 Matthew Schellenberg M. J. . . 27287 1 3 Geoffrey Mueller G. A. . . 27287 1 4 Emma Fairweather E. . . . 27287 1 5 Mandy Watson M. . . . 27287 1 6 Jessica Little J. N. . . 27287 1 7 Juno Krahn J. . . . 27287 1 8 Ian Waddell I. . . . 27287 1 9 Robert London R. E. . . 27287 1 10 'R Scott' Williams R. S. . . 27287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27287 _Assembly.ID 1 _Assembly.Name APTX _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 APTX 1 $hAPTX A . yes native no no . . . 27287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hAPTX _Entity.Sf_category entity _Entity.Sf_framecode hAPTX _Entity.Entry_ID 27287 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hAPTX _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMKDAPIKKESLGHWSQG LKISMQDPKMQVYKDEQVVV IKDKYPKARYHWLVLPWTSI SSLKAVAREHLELLKHMHTV GEKVIVDFAGSSKLRFRLGY HAIPSMSHVHLHVISQDFDS PCLKNKKHWNSFNTEYFLES QAVIEMVQEAGRVTVRDGMP ELLKLPLRCHECQQLLPSIP QLKEHLRKHWTQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Numbering starts at 151' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 151 GLY . 27287 1 2 152 SER . 27287 1 3 153 HIS . 27287 1 4 154 MET . 27287 1 5 155 LYS . 27287 1 6 156 ASP . 27287 1 7 157 ALA . 27287 1 8 158 PRO . 27287 1 9 159 ILE . 27287 1 10 160 LYS . 27287 1 11 161 LYS . 27287 1 12 162 GLU . 27287 1 13 163 SER . 27287 1 14 164 LEU . 27287 1 15 165 GLY . 27287 1 16 166 HIS . 27287 1 17 167 TRP . 27287 1 18 168 SER . 27287 1 19 169 GLN . 27287 1 20 170 GLY . 27287 1 21 171 LEU . 27287 1 22 172 LYS . 27287 1 23 173 ILE . 27287 1 24 174 SER . 27287 1 25 175 MET . 27287 1 26 176 GLN . 27287 1 27 177 ASP . 27287 1 28 178 PRO . 27287 1 29 179 LYS . 27287 1 30 180 MET . 27287 1 31 181 GLN . 27287 1 32 182 VAL . 27287 1 33 183 TYR . 27287 1 34 184 LYS . 27287 1 35 185 ASP . 27287 1 36 186 GLU . 27287 1 37 187 GLN . 27287 1 38 188 VAL . 27287 1 39 189 VAL . 27287 1 40 190 VAL . 27287 1 41 191 ILE . 27287 1 42 192 LYS . 27287 1 43 193 ASP . 27287 1 44 194 LYS . 27287 1 45 195 TYR . 27287 1 46 196 PRO . 27287 1 47 197 LYS . 27287 1 48 198 ALA . 27287 1 49 199 ARG . 27287 1 50 200 TYR . 27287 1 51 201 HIS . 27287 1 52 202 TRP . 27287 1 53 203 LEU . 27287 1 54 204 VAL . 27287 1 55 205 LEU . 27287 1 56 206 PRO . 27287 1 57 207 TRP . 27287 1 58 208 THR . 27287 1 59 209 SER . 27287 1 60 210 ILE . 27287 1 61 211 SER . 27287 1 62 212 SER . 27287 1 63 213 LEU . 27287 1 64 214 LYS . 27287 1 65 215 ALA . 27287 1 66 216 VAL . 27287 1 67 217 ALA . 27287 1 68 218 ARG . 27287 1 69 219 GLU . 27287 1 70 220 HIS . 27287 1 71 221 LEU . 27287 1 72 222 GLU . 27287 1 73 223 LEU . 27287 1 74 224 LEU . 27287 1 75 225 LYS . 27287 1 76 226 HIS . 27287 1 77 227 MET . 27287 1 78 228 HIS . 27287 1 79 229 THR . 27287 1 80 230 VAL . 27287 1 81 231 GLY . 27287 1 82 232 GLU . 27287 1 83 233 LYS . 27287 1 84 234 VAL . 27287 1 85 235 ILE . 27287 1 86 236 VAL . 27287 1 87 237 ASP . 27287 1 88 238 PHE . 27287 1 89 239 ALA . 27287 1 90 240 GLY . 27287 1 91 241 SER . 27287 1 92 242 SER . 27287 1 93 243 LYS . 27287 1 94 244 LEU . 27287 1 95 245 ARG . 27287 1 96 246 PHE . 27287 1 97 247 ARG . 27287 1 98 248 LEU . 27287 1 99 249 GLY . 27287 1 100 250 TYR . 27287 1 101 251 HIS . 27287 1 102 252 ALA . 27287 1 103 253 ILE . 27287 1 104 254 PRO . 27287 1 105 255 SER . 27287 1 106 256 MET . 27287 1 107 257 SER . 27287 1 108 258 HIS . 27287 1 109 259 VAL . 27287 1 110 260 HIS . 27287 1 111 261 LEU . 27287 1 112 262 HIS . 27287 1 113 263 VAL . 27287 1 114 264 ILE . 27287 1 115 265 SER . 27287 1 116 266 GLN . 27287 1 117 267 ASP . 27287 1 118 268 PHE . 27287 1 119 269 ASP . 27287 1 120 270 SER . 27287 1 121 271 PRO . 27287 1 122 272 CYS . 27287 1 123 273 LEU . 27287 1 124 274 LYS . 27287 1 125 275 ASN . 27287 1 126 276 LYS . 27287 1 127 277 LYS . 27287 1 128 278 HIS . 27287 1 129 279 TRP . 27287 1 130 280 ASN . 27287 1 131 281 SER . 27287 1 132 282 PHE . 27287 1 133 283 ASN . 27287 1 134 284 THR . 27287 1 135 285 GLU . 27287 1 136 286 TYR . 27287 1 137 287 PHE . 27287 1 138 288 LEU . 27287 1 139 289 GLU . 27287 1 140 290 SER . 27287 1 141 291 GLN . 27287 1 142 292 ALA . 27287 1 143 293 VAL . 27287 1 144 294 ILE . 27287 1 145 295 GLU . 27287 1 146 296 MET . 27287 1 147 297 VAL . 27287 1 148 298 GLN . 27287 1 149 299 GLU . 27287 1 150 300 ALA . 27287 1 151 301 GLY . 27287 1 152 302 ARG . 27287 1 153 303 VAL . 27287 1 154 304 THR . 27287 1 155 305 VAL . 27287 1 156 306 ARG . 27287 1 157 307 ASP . 27287 1 158 308 GLY . 27287 1 159 309 MET . 27287 1 160 310 PRO . 27287 1 161 311 GLU . 27287 1 162 312 LEU . 27287 1 163 313 LEU . 27287 1 164 314 LYS . 27287 1 165 315 LEU . 27287 1 166 316 PRO . 27287 1 167 317 LEU . 27287 1 168 318 ARG . 27287 1 169 319 CYS . 27287 1 170 320 HIS . 27287 1 171 321 GLU . 27287 1 172 322 CYS . 27287 1 173 323 GLN . 27287 1 174 324 GLN . 27287 1 175 325 LEU . 27287 1 176 326 LEU . 27287 1 177 327 PRO . 27287 1 178 328 SER . 27287 1 179 329 ILE . 27287 1 180 330 PRO . 27287 1 181 331 GLN . 27287 1 182 332 LEU . 27287 1 183 333 LYS . 27287 1 184 334 GLU . 27287 1 185 335 HIS . 27287 1 186 336 LEU . 27287 1 187 337 ARG . 27287 1 188 338 LYS . 27287 1 189 339 HIS . 27287 1 190 340 TRP . 27287 1 191 341 THR . 27287 1 192 342 GLN . 27287 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 27287 1 . SER 2 2 27287 1 . HIS 3 3 27287 1 . MET 4 4 27287 1 . LYS 5 5 27287 1 . ASP 6 6 27287 1 . ALA 7 7 27287 1 . PRO 8 8 27287 1 . ILE 9 9 27287 1 . LYS 10 10 27287 1 . LYS 11 11 27287 1 . GLU 12 12 27287 1 . SER 13 13 27287 1 . LEU 14 14 27287 1 . GLY 15 15 27287 1 . HIS 16 16 27287 1 . TRP 17 17 27287 1 . SER 18 18 27287 1 . GLN 19 19 27287 1 . GLY 20 20 27287 1 . LEU 21 21 27287 1 . LYS 22 22 27287 1 . ILE 23 23 27287 1 . SER 24 24 27287 1 . MET 25 25 27287 1 . GLN 26 26 27287 1 . ASP 27 27 27287 1 . PRO 28 28 27287 1 . LYS 29 29 27287 1 . MET 30 30 27287 1 . GLN 31 31 27287 1 . VAL 32 32 27287 1 . TYR 33 33 27287 1 . LYS 34 34 27287 1 . ASP 35 35 27287 1 . GLU 36 36 27287 1 . GLN 37 37 27287 1 . VAL 38 38 27287 1 . VAL 39 39 27287 1 . VAL 40 40 27287 1 . ILE 41 41 27287 1 . LYS 42 42 27287 1 . ASP 43 43 27287 1 . LYS 44 44 27287 1 . TYR 45 45 27287 1 . PRO 46 46 27287 1 . LYS 47 47 27287 1 . ALA 48 48 27287 1 . ARG 49 49 27287 1 . TYR 50 50 27287 1 . HIS 51 51 27287 1 . TRP 52 52 27287 1 . LEU 53 53 27287 1 . VAL 54 54 27287 1 . LEU 55 55 27287 1 . PRO 56 56 27287 1 . TRP 57 57 27287 1 . THR 58 58 27287 1 . SER 59 59 27287 1 . ILE 60 60 27287 1 . SER 61 61 27287 1 . SER 62 62 27287 1 . LEU 63 63 27287 1 . LYS 64 64 27287 1 . ALA 65 65 27287 1 . VAL 66 66 27287 1 . ALA 67 67 27287 1 . ARG 68 68 27287 1 . GLU 69 69 27287 1 . HIS 70 70 27287 1 . LEU 71 71 27287 1 . GLU 72 72 27287 1 . LEU 73 73 27287 1 . LEU 74 74 27287 1 . LYS 75 75 27287 1 . HIS 76 76 27287 1 . MET 77 77 27287 1 . HIS 78 78 27287 1 . THR 79 79 27287 1 . VAL 80 80 27287 1 . GLY 81 81 27287 1 . GLU 82 82 27287 1 . LYS 83 83 27287 1 . VAL 84 84 27287 1 . ILE 85 85 27287 1 . VAL 86 86 27287 1 . ASP 87 87 27287 1 . PHE 88 88 27287 1 . ALA 89 89 27287 1 . GLY 90 90 27287 1 . SER 91 91 27287 1 . SER 92 92 27287 1 . LYS 93 93 27287 1 . LEU 94 94 27287 1 . ARG 95 95 27287 1 . PHE 96 96 27287 1 . ARG 97 97 27287 1 . LEU 98 98 27287 1 . GLY 99 99 27287 1 . TYR 100 100 27287 1 . HIS 101 101 27287 1 . ALA 102 102 27287 1 . ILE 103 103 27287 1 . PRO 104 104 27287 1 . SER 105 105 27287 1 . MET 106 106 27287 1 . SER 107 107 27287 1 . HIS 108 108 27287 1 . VAL 109 109 27287 1 . HIS 110 110 27287 1 . LEU 111 111 27287 1 . HIS 112 112 27287 1 . VAL 113 113 27287 1 . ILE 114 114 27287 1 . SER 115 115 27287 1 . GLN 116 116 27287 1 . ASP 117 117 27287 1 . PHE 118 118 27287 1 . ASP 119 119 27287 1 . SER 120 120 27287 1 . PRO 121 121 27287 1 . CYS 122 122 27287 1 . LEU 123 123 27287 1 . LYS 124 124 27287 1 . ASN 125 125 27287 1 . LYS 126 126 27287 1 . LYS 127 127 27287 1 . HIS 128 128 27287 1 . TRP 129 129 27287 1 . ASN 130 130 27287 1 . SER 131 131 27287 1 . PHE 132 132 27287 1 . ASN 133 133 27287 1 . THR 134 134 27287 1 . GLU 135 135 27287 1 . TYR 136 136 27287 1 . PHE 137 137 27287 1 . LEU 138 138 27287 1 . GLU 139 139 27287 1 . SER 140 140 27287 1 . GLN 141 141 27287 1 . ALA 142 142 27287 1 . VAL 143 143 27287 1 . ILE 144 144 27287 1 . GLU 145 145 27287 1 . MET 146 146 27287 1 . VAL 147 147 27287 1 . GLN 148 148 27287 1 . GLU 149 149 27287 1 . ALA 150 150 27287 1 . GLY 151 151 27287 1 . ARG 152 152 27287 1 . VAL 153 153 27287 1 . THR 154 154 27287 1 . VAL 155 155 27287 1 . ARG 156 156 27287 1 . ASP 157 157 27287 1 . GLY 158 158 27287 1 . MET 159 159 27287 1 . PRO 160 160 27287 1 . GLU 161 161 27287 1 . LEU 162 162 27287 1 . LEU 163 163 27287 1 . LYS 164 164 27287 1 . LEU 165 165 27287 1 . PRO 166 166 27287 1 . LEU 167 167 27287 1 . ARG 168 168 27287 1 . CYS 169 169 27287 1 . HIS 170 170 27287 1 . GLU 171 171 27287 1 . CYS 172 172 27287 1 . GLN 173 173 27287 1 . GLN 174 174 27287 1 . LEU 175 175 27287 1 . LEU 176 176 27287 1 . PRO 177 177 27287 1 . SER 178 178 27287 1 . ILE 179 179 27287 1 . PRO 180 180 27287 1 . GLN 181 181 27287 1 . LEU 182 182 27287 1 . LYS 183 183 27287 1 . GLU 184 184 27287 1 . HIS 185 185 27287 1 . LEU 186 186 27287 1 . ARG 187 187 27287 1 . LYS 188 188 27287 1 . HIS 189 189 27287 1 . TRP 190 190 27287 1 . THR 191 191 27287 1 . GLN 192 192 27287 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27287 _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 $hAPTX . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27287 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 27287 _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 $hAPTX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 27287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27287 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hAPTX '[U-100% 13C; U-100% 15N]' . . 1 $hAPTX . . 1 . . mM . . . . 27287 1 2 'Na phosphate NaH2PO4' 'natural abundance' . . . . . . 5 . . mM . . . . 27287 1 3 KCl 'natural abundance' . . . . . . 1.3 . . mM . . . . 27287 1 4 NaCl 'natural abundance' . . . . . . 67 . . mM . . . . 27287 1 5 'K phosphate KH2PO4' 'natural abundance' . . . . . . 0.8 . . mM . . . . 27287 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 27287 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1/2 strength PBS' 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' 0.075 . M 27287 1 pH 7.4 . pH 27287 1 pressure 1 . atm 27287 1 temperature 273 . K 27287 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27287 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27287 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27287 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27287 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27287 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27287 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27287 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27287 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 27287 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27287 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27287 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27287 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27287 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27287 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27287 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27287 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 27287 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 27287 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27287 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 27287 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27287 _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' . . . 27287 1 2 '3D HNCA' . . . 27287 1 3 '3D HNCACB' . . . 27287 1 4 '3D HN(CO)CA' . . . 27287 1 5 '3D CBCA(CO)NH' . . . 27287 1 6 '3D HCCH-TOCSY' . . . 27287 1 7 '3D C(CO)NH' . . . 27287 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS CA C 13 63.0302 0.0000 . 1 . . 8819 . . 153 HIS CA . 27287 1 2 . 1 1 3 3 HIS CB C 13 32.0161 0.0000 . 1 . . 11711 . . 153 HIS CB . 27287 1 3 . 1 1 4 4 MET H H 1 8.1600 0.0000 . 1 . . 9856 . . 154 MET H . 27287 1 4 . 1 1 4 4 MET CA C 13 61.0067 0.0000 . 1 . . 10202 . . 154 MET CA . 27287 1 5 . 1 1 4 4 MET CB C 13 38.7703 0.0000 . 1 . . 10232 . . 154 MET CB . 27287 1 6 . 1 1 4 4 MET N N 15 121.1648 0.0000 . 1 . . 9858 . . 154 MET N . 27287 1 7 . 1 1 5 5 LYS H H 1 8.3736 0.0000 . 1 . . 8605 . . 155 LYS H . 27287 1 8 . 1 1 5 5 LYS CB C 13 32.9512 0.0000 . 1 . . 10499 . . 155 LYS CB . 27287 1 9 . 1 1 5 5 LYS N N 15 126.2925 0.0000 . 1 . . 8607 . . 155 LYS N . 27287 1 10 . 1 1 6 6 ASP H H 1 8.2749 0.0000 . 1 . . 11707 . . 156 ASP H . 27287 1 11 . 1 1 6 6 ASP CA C 13 54.2725 0.0000 . 1 . . 9644 . . 156 ASP CA . 27287 1 12 . 1 1 6 6 ASP CB C 13 41.1649 0.0000 . 1 . . 10289 . . 156 ASP CB . 27287 1 13 . 1 1 6 6 ASP N N 15 120.9788 0.0000 . 1 . . 11709 . . 156 ASP N . 27287 1 14 . 1 1 7 7 ALA H H 1 8.0798 0.0000 . 1 . . 10282 . . 157 ALA H . 27287 1 15 . 1 1 7 7 ALA CA C 13 50.7472 0.0000 . 1 . . 11336 . . 157 ALA CA . 27287 1 16 . 1 1 7 7 ALA CB C 13 18.3621 0.0000 . 1 . . 11402 . . 157 ALA CB . 27287 1 17 . 1 1 7 7 ALA N N 15 125.1935 0.0000 . 1 . . 10284 . . 157 ALA N . 27287 1 18 . 1 1 15 15 GLY CA C 13 45.7500 0.0000 . 1 . . 22291 . . 165 GLY CA . 27287 1 19 . 1 1 16 16 HIS H H 1 8.4259 0.0000 . 1 . . 22288 . . 166 HIS H . 27287 1 20 . 1 1 16 16 HIS CA C 13 60.2249 0.0000 . 1 . . 16482 . . 166 HIS CA . 27287 1 21 . 1 1 16 16 HIS CB C 13 31.0155 0.0000 . 1 . . 22340 . . 166 HIS CB . 27287 1 22 . 1 1 16 16 HIS N N 15 120.1161 0.0000 . 1 . . 22289 . . 166 HIS N . 27287 1 23 . 1 1 17 17 TRP H H 1 8.0825 0.0000 . 1 . . 16481 . . 167 TRP H . 27287 1 24 . 1 1 17 17 TRP CA C 13 58.1096 0.0000 . 1 . . 15085 . . 167 TRP CA . 27287 1 25 . 1 1 17 17 TRP N N 15 119.0452 0.0000 . 1 . . 16483 . . 167 TRP N . 27287 1 26 . 1 1 18 18 SER H H 1 9.1441 0.0000 . 1 . . 11779 . . 168 SER H . 27287 1 27 . 1 1 18 18 SER CA C 13 54.4567 0.0000 . 1 . . 10358 . . 168 SER CA . 27287 1 28 . 1 1 18 18 SER N N 15 119.5912 0.0000 . 1 . . 11781 . . 168 SER N . 27287 1 29 . 1 1 19 19 GLN H H 1 7.2012 0.0000 . 1 . . 8788 . . 169 GLN H . 27287 1 30 . 1 1 19 19 GLN CA C 13 56.0217 0.0000 . 1 . . 22450 . . 169 GLN CA . 27287 1 31 . 1 1 19 19 GLN N N 15 122.4534 0.0000 . 1 . . 8790 . . 169 GLN N . 27287 1 32 . 1 1 21 21 LEU CA C 13 57.4860 0.0000 . 1 . . 10772 . . 171 LEU CA . 27287 1 33 . 1 1 21 21 LEU CB C 13 42.1401 0.0000 . 1 . . 10796 . . 171 LEU CB . 27287 1 34 . 1 1 22 22 LYS H H 1 8.0032 0.0000 . 1 . . 12806 . . 172 LYS H . 27287 1 35 . 1 1 22 22 LYS CA C 13 59.2558 0.0000 . 1 . . 9998 . . 172 LYS CA . 27287 1 36 . 1 1 22 22 LYS CB C 13 32.0391 0.0000 . 1 . . 12185 . . 172 LYS CB . 27287 1 37 . 1 1 22 22 LYS N N 15 118.2848 0.0000 . 1 . . 12807 . . 172 LYS N . 27287 1 38 . 1 1 23 23 ILE H H 1 7.6490 0.0000 . 1 . . 12184 . . 173 ILE H . 27287 1 39 . 1 1 23 23 ILE CA C 13 63.4221 0.0000 . 1 . . 22447 . . 173 ILE CA . 27287 1 40 . 1 1 23 23 ILE CB C 13 37.9711 0.0000 . 1 . . 12161 . . 173 ILE CB . 27287 1 41 . 1 1 23 23 ILE N N 15 117.7872 0.0000 . 1 . . 12186 . . 173 ILE N . 27287 1 42 . 1 1 24 24 SER CA C 13 61.8591 0.0000 . 1 . . 18540 . . 174 SER CA . 27287 1 43 . 1 1 24 24 SER CB C 13 63.4992 0.0000 . 1 . . 18598 . . 174 SER CB . 27287 1 44 . 1 1 25 25 MET H H 1 8.0784 0.0000 . 1 . . 18473 . . 175 MET H . 27287 1 45 . 1 1 25 25 MET CA C 13 57.9994 0.0000 . 1 . . 23314 . . 175 MET CA . 27287 1 46 . 1 1 25 25 MET CB C 13 33.7506 0.0000 . 1 . . 18619 . . 175 MET CB . 27287 1 47 . 1 1 25 25 MET N N 15 116.8767 0.0000 . 1 . . 18475 . . 175 MET N . 27287 1 48 . 1 1 26 26 GLN H H 1 7.3041 0.0000 . 1 . . 23273 . . 176 GLN H . 27287 1 49 . 1 1 26 26 GLN CA C 13 55.7495 0.0000 . 1 . . 23362 . . 176 GLN CA . 27287 1 50 . 1 1 26 26 GLN CB C 13 29.7508 0.0000 . 1 . . 23353 . . 176 GLN CB . 27287 1 51 . 1 1 26 26 GLN N N 15 113.1744 0.0000 . 1 . . 23275 . . 176 GLN N . 27287 1 52 . 1 1 27 27 ASP H H 1 8.3473 0.0000 . 1 . . 14023 . . 177 ASP H . 27287 1 53 . 1 1 27 27 ASP CA C 13 52.9997 0.0000 . 1 . . 14035 . . 177 ASP CA . 27287 1 54 . 1 1 27 27 ASP CB C 13 40.7502 0.0000 . 1 . . 14026 . . 177 ASP CB . 27287 1 55 . 1 1 27 27 ASP N N 15 123.3556 0.0000 . 1 . . 14024 . . 177 ASP N . 27287 1 56 . 1 1 28 28 PRO CA C 13 64.6394 0.0000 . 1 . . 9209 . . 178 PRO CA . 27287 1 57 . 1 1 28 28 PRO CB C 13 32.3309 0.0000 . 1 . . 10922 . . 178 PRO CB . 27287 1 58 . 1 1 29 29 LYS H H 1 8.2867 0.0000 . 1 . . 9208 . . 179 LYS H . 27287 1 59 . 1 1 29 29 LYS CA C 13 58.0603 0.0000 . 1 . . 10889 . . 179 LYS CA . 27287 1 60 . 1 1 29 29 LYS CB C 13 31.8903 0.0000 . 1 . . 10931 . . 179 LYS CB . 27287 1 61 . 1 1 29 29 LYS N N 15 115.3816 0.0000 . 1 . . 9210 . . 179 LYS N . 27287 1 62 . 1 1 30 30 MET H H 1 7.8924 0.0000 . 1 . . 12322 . . 180 MET H . 27287 1 63 . 1 1 30 30 MET CA C 13 54.3266 0.0000 . 1 . . 23190 . . 180 MET CA . 27287 1 64 . 1 1 30 30 MET CB C 13 33.2222 0.0000 . 1 . . 12317 . . 180 MET CB . 27287 1 65 . 1 1 30 30 MET N N 15 115.1293 0.0000 . 1 . . 12324 . . 180 MET N . 27287 1 66 . 1 1 31 31 GLN H H 1 7.0933 0.0000 . 1 . . 23184 . . 181 GLN H . 27287 1 67 . 1 1 31 31 GLN CA C 13 55.8392 0.0000 . 1 . . 11303 . . 181 GLN CA . 27287 1 68 . 1 1 31 31 GLN CB C 13 28.2508 0.0000 . 1 . . 12206 . . 181 GLN CB . 27287 1 69 . 1 1 31 31 GLN N N 15 117.7456 0.0000 . 1 . . 23185 . . 181 GLN N . 27287 1 70 . 1 1 32 32 VAL H H 1 8.9400 0.0000 . 1 . . 11269 . . 182 VAL H . 27287 1 71 . 1 1 32 32 VAL CA C 13 62.9182 0.0000 . 1 . . 8972 . . 182 VAL CA . 27287 1 72 . 1 1 32 32 VAL CB C 13 32.7467 0.0000 . 1 . . 11372 . . 182 VAL CB . 27287 1 73 . 1 1 32 32 VAL N N 15 124.3347 0.0000 . 1 . . 11271 . . 182 VAL N . 27287 1 74 . 1 1 33 33 TYR H H 1 7.3981 0.0000 . 1 . . 9874 . . 183 TYR H . 27287 1 75 . 1 1 33 33 TYR CA C 13 57.4152 0.0000 . 1 . . 10211 . . 183 TYR CA . 27287 1 76 . 1 1 33 33 TYR CB C 13 41.4792 0.0000 . 1 . . 11216 . . 183 TYR CB . 27287 1 77 . 1 1 33 33 TYR N N 15 118.8629 0.0000 . 1 . . 9876 . . 183 TYR N . 27287 1 78 . 1 1 34 34 LYS H H 1 7.4626 0.0000 . 1 . . 11218 . . 184 LYS H . 27287 1 79 . 1 1 34 34 LYS CA C 13 56.2606 0.0000 . 1 . . 8771 . . 184 LYS CA . 27287 1 80 . 1 1 34 34 LYS CB C 13 35.9634 0.0000 . 1 . . 10373 . . 184 LYS CB . 27287 1 81 . 1 1 34 34 LYS N N 15 126.0718 0.0000 . 1 . . 11220 . . 184 LYS N . 27287 1 82 . 1 1 35 35 ASP H H 1 9.3176 0.0000 . 1 . . 11491 . . 185 ASP H . 27287 1 83 . 1 1 35 35 ASP CA C 13 53.5825 0.0000 . 1 . . 9278 . . 185 ASP CA . 27287 1 84 . 1 1 35 35 ASP CB C 13 40.9856 0.0000 . 1 . . 10916 . . 185 ASP CB . 27287 1 85 . 1 1 35 35 ASP N N 15 122.9915 0.0000 . 1 . . 11493 . . 185 ASP N . 27287 1 86 . 1 1 36 36 GLU H H 1 8.9169 0.0000 . 1 . . 12229 . . 186 GLU H . 27287 1 87 . 1 1 36 36 GLU CA C 13 58.7899 0.0000 . 1 . . 10736 . . 186 GLU CA . 27287 1 88 . 1 1 36 36 GLU CB C 13 29.2130 0.0000 . 1 . . 17949 . . 186 GLU CB . 27287 1 89 . 1 1 36 36 GLU N N 15 116.0006 0.0000 . 1 . . 12231 . . 186 GLU N . 27287 1 90 . 1 1 37 37 GLN H H 1 9.5839 0.0000 . 1 . . 12166 . . 187 GLN H . 27287 1 91 . 1 1 37 37 GLN CA C 13 58.3704 0.0000 . 1 . . 18612 . . 187 GLN CA . 27287 1 92 . 1 1 37 37 GLN CB C 13 33.2506 0.0000 . 1 . . 12167 . . 187 GLN CB . 27287 1 93 . 1 1 37 37 GLN N N 15 117.4022 0.0000 . 1 . . 12168 . . 187 GLN N . 27287 1 94 . 1 1 38 38 VAL H H 1 8.9579 0.0000 . 1 . . 10960 . . 188 VAL H . 27287 1 95 . 1 1 38 38 VAL CA C 13 57.9655 0.0000 . 1 . . 10001 . . 188 VAL CA . 27287 1 96 . 1 1 38 38 VAL CB C 13 37.4625 0.0000 . 1 . . 12155 . . 188 VAL CB . 27287 1 97 . 1 1 38 38 VAL N N 15 114.6768 0.0000 . 1 . . 10962 . . 188 VAL N . 27287 1 98 . 1 1 39 39 VAL H H 1 8.5596 0.0000 . 1 . . 10768 . . 189 VAL H . 27287 1 99 . 1 1 39 39 VAL CA C 13 59.2159 0.0000 . 1 . . 10250 . . 189 VAL CA . 27287 1 100 . 1 1 39 39 VAL CB C 13 35.5820 0.0000 . 1 . . 10298 . . 189 VAL CB . 27287 1 101 . 1 1 39 39 VAL N N 15 117.4429 0.0000 . 1 . . 10770 . . 189 VAL N . 27287 1 102 . 1 1 40 40 VAL H H 1 8.7072 0.0000 . 1 . . 11368 . . 190 VAL H . 27287 1 103 . 1 1 40 40 VAL CA C 13 59.8175 0.0000 . 1 . . 8687 . . 190 VAL CA . 27287 1 104 . 1 1 40 40 VAL CB C 13 33.4497 0.0000 . 1 . . 11378 . . 190 VAL CB . 27287 1 105 . 1 1 40 40 VAL N N 15 125.1506 0.0000 . 1 . . 11370 . . 190 VAL N . 27287 1 106 . 1 1 42 42 LYS CA C 13 57.1643 0.0000 . 1 . . 9632 . . 192 LYS CA . 27287 1 107 . 1 1 42 42 LYS CB C 13 32.9811 0.0000 . 1 . . 23387 . . 192 LYS CB . 27287 1 108 . 1 1 43 43 ASP H H 1 7.6754 0.0000 . 1 . . 11356 . . 193 ASP H . 27287 1 109 . 1 1 43 43 ASP CA C 13 55.7516 0.0000 . 1 . . 9563 . . 193 ASP CA . 27287 1 110 . 1 1 43 43 ASP CB C 13 41.9420 0.0000 . 1 . . 10235 . . 193 ASP CB . 27287 1 111 . 1 1 43 43 ASP N N 15 124.2689 0.0000 . 1 . . 11358 . . 193 ASP N . 27287 1 112 . 1 1 44 44 LYS H H 1 7.5152 0.0000 . 1 . . 10234 . . 194 LYS H . 27287 1 113 . 1 1 44 44 LYS CA C 13 58.1096 0.0000 . 1 . . 14998 . . 194 LYS CA . 27287 1 114 . 1 1 44 44 LYS CB C 13 33.0006 0.0000 . 1 . . 22872 . . 194 LYS CB . 27287 1 115 . 1 1 44 44 LYS N N 15 126.1486 0.0000 . 1 . . 10236 . . 194 LYS N . 27287 1 116 . 1 1 45 45 TYR H H 1 9.0931 0.0000 . 1 . . 9067 . . 195 TYR H . 27287 1 117 . 1 1 45 45 TYR CA C 13 53.9754 0.0000 . 1 . . 11867 . . 195 TYR CA . 27287 1 118 . 1 1 45 45 TYR CB C 13 38.5003 0.0000 . 1 . . 15040 . . 195 TYR CB . 27287 1 119 . 1 1 45 45 TYR N N 15 119.6287 0.0000 . 1 . . 9069 . . 195 TYR N . 27287 1 120 . 1 1 46 46 PRO CA C 13 61.9881 0.0000 . 1 . . 11117 . . 196 PRO CA . 27287 1 121 . 1 1 46 46 PRO CB C 13 33.2506 0.0000 . 1 . . 23393 . . 196 PRO CB . 27287 1 122 . 1 1 47 47 LYS H H 1 11.6619 0.0000 . 1 . . 11116 . . 197 LYS H . 27287 1 123 . 1 1 47 47 LYS CA C 13 54.2122 0.0000 . 1 . . 12398 . . 197 LYS CA . 27287 1 124 . 1 1 47 47 LYS CB C 13 30.4782 0.0000 . 1 . . 11003 . . 197 LYS CB . 27287 1 125 . 1 1 47 47 LYS N N 15 126.6157 0.0000 . 1 . . 11118 . . 197 LYS N . 27287 1 126 . 1 1 48 48 ALA H H 1 7.1146 0.0000 . 1 . . 9334 . . 198 ALA H . 27287 1 127 . 1 1 48 48 ALA CA C 13 50.6123 0.0000 . 1 . . 9341 . . 198 ALA CA . 27287 1 128 . 1 1 48 48 ALA CB C 13 24.5228 0.0000 . 1 . . 10529 . . 198 ALA CB . 27287 1 129 . 1 1 48 48 ALA N N 15 114.0669 0.0000 . 1 . . 9336 . . 198 ALA N . 27287 1 130 . 1 1 49 49 ARG H H 1 9.8280 0.0000 . 1 . . 11743 . . 199 ARG H . 27287 1 131 . 1 1 49 49 ARG CA C 13 60.0553 0.0000 . 1 . . 12239 . . 199 ARG CA . 27287 1 132 . 1 1 49 49 ARG CB C 13 30.4255 0.0000 . 1 . . 11699 . . 199 ARG CB . 27287 1 133 . 1 1 49 49 ARG N N 15 121.1437 0.0000 . 1 . . 11745 . . 199 ARG N . 27287 1 134 . 1 1 50 50 TYR H H 1 7.9889 0.0000 . 1 . . 12238 . . 200 TYR H . 27287 1 135 . 1 1 50 50 TYR CA C 13 56.5488 0.0000 . 1 . . 10445 . . 200 TYR CA . 27287 1 136 . 1 1 50 50 TYR CB C 13 40.2630 0.0000 . 1 . . 11684 . . 200 TYR CB . 27287 1 137 . 1 1 50 50 TYR N N 15 115.3602 0.0000 . 1 . . 12240 . . 200 TYR N . 27287 1 138 . 1 1 51 51 HIS H H 1 7.7515 0.0000 . 1 . . 10489 . . 201 HIS H . 27287 1 139 . 1 1 51 51 HIS CA C 13 53.8711 0.0000 . 1 . . 9566 . . 201 HIS CA . 27287 1 140 . 1 1 51 51 HIS CB C 13 33.5081 0.0000 . 1 . . 11723 . . 201 HIS CB . 27287 1 141 . 1 1 51 51 HIS N N 15 122.0240 0.0000 . 1 . . 10491 . . 201 HIS N . 27287 1 142 . 1 1 52 52 TRP H H 1 9.6797 0.0000 . 1 . . 9565 . . 202 TRP H . 27287 1 143 . 1 1 52 52 TRP CA C 13 57.7498 0.0000 . 1 . . 9026 . . 202 TRP CA . 27287 1 144 . 1 1 52 52 TRP CB C 13 32.0006 0.0000 . 1 . . 14566 . . 202 TRP CB . 27287 1 145 . 1 1 52 52 TRP N N 15 126.5037 0.0000 . 1 . . 9567 . . 202 TRP N . 27287 1 146 . 1 1 53 53 LEU H H 1 9.2675 0.0000 . 1 . . 9928 . . 203 LEU H . 27287 1 147 . 1 1 53 53 LEU CA C 13 52.4997 0.0000 . 1 . . 13550 . . 203 LEU CA . 27287 1 148 . 1 1 53 53 LEU CB C 13 43.7741 0.0000 . 1 . . 11642 . . 203 LEU CB . 27287 1 149 . 1 1 53 53 LEU N N 15 119.0282 0.0000 . 1 . . 9930 . . 203 LEU N . 27287 1 150 . 1 1 54 54 VAL H H 1 9.5041 0.0000 . 1 . . 11527 . . 204 VAL H . 27287 1 151 . 1 1 54 54 VAL CA C 13 61.5123 0.0000 . 1 . . 9515 . . 204 VAL CA . 27287 1 152 . 1 1 54 54 VAL CB C 13 31.5007 0.0000 . 1 . . 13268 . . 204 VAL CB . 27287 1 153 . 1 1 54 54 VAL N N 15 122.0531 0.0000 . 1 . . 11529 . . 204 VAL N . 27287 1 154 . 1 1 55 55 LEU H H 1 9.2588 0.0000 . 1 . . 8668 . . 205 LEU H . 27287 1 155 . 1 1 55 55 LEU CA C 13 52.1289 0.0000 . 1 . . 11192 . . 205 LEU CA . 27287 1 156 . 1 1 55 55 LEU CB C 13 43.2723 0.0000 . 1 . . 11201 . . 205 LEU CB . 27287 1 157 . 1 1 55 55 LEU N N 15 127.0272 0.0000 . 1 . . 8670 . . 205 LEU N . 27287 1 158 . 1 1 56 56 PRO CA C 13 61.2116 0.0000 . 1 . . 11816 . . 206 PRO CA . 27287 1 159 . 1 1 56 56 PRO CB C 13 32.0596 0.0000 . 1 . . 11732 . . 206 PRO CB . 27287 1 160 . 1 1 57 57 TRP H H 1 7.6530 0.0000 . 1 . . 11815 . . 207 TRP H . 27287 1 161 . 1 1 57 57 TRP CA C 13 59.4749 0.0000 . 1 . . 18702 . . 207 TRP CA . 27287 1 162 . 1 1 57 57 TRP CB C 13 29.7514 0.0000 . 1 . . 11741 . . 207 TRP CB . 27287 1 163 . 1 1 57 57 TRP N N 15 120.4246 0.0000 . 1 . . 11817 . . 207 TRP N . 27287 1 164 . 1 1 58 58 THR H H 1 8.2257 0.0000 . 1 . . 18687 . . 208 THR H . 27287 1 165 . 1 1 58 58 THR CA C 13 62.5550 0.0000 . 1 . . 15177 . . 208 THR CA . 27287 1 166 . 1 1 58 58 THR CB C 13 69.5411 0.0000 . 1 . . 15189 . . 208 THR CB . 27287 1 167 . 1 1 58 58 THR N N 15 115.1516 0.0000 . 1 . . 18688 . . 208 THR N . 27287 1 168 . 1 1 59 59 SER H H 1 8.2887 0.0000 . 1 . . 15173 . . 209 SER H . 27287 1 169 . 1 1 59 59 SER CA C 13 58.3838 0.0000 . 1 . . 15194 . . 209 SER CA . 27287 1 170 . 1 1 59 59 SER CB C 13 63.2979 0.0000 . 1 . . 15174 . . 209 SER CB . 27287 1 171 . 1 1 59 59 SER N N 15 120.1777 0.0000 . 1 . . 15175 . . 209 SER N . 27287 1 172 . 1 1 60 60 ILE H H 1 8.2969 0.0000 . 1 . . 8566 . . 210 ILE H . 27287 1 173 . 1 1 60 60 ILE CA C 13 60.8444 0.0000 . 1 . . 10400 . . 210 ILE CA . 27287 1 174 . 1 1 60 60 ILE N N 15 128.8937 0.0000 . 1 . . 8568 . . 210 ILE N . 27287 1 175 . 1 1 61 61 SER H H 1 8.7870 0.0000 . 1 . . 10399 . . 211 SER H . 27287 1 176 . 1 1 61 61 SER CA C 13 61.5947 0.0000 . 1 . . 21224 . . 211 SER CA . 27287 1 177 . 1 1 61 61 SER CB C 13 63.4625 0.0000 . 1 . . 22617 . . 211 SER CB . 27287 1 178 . 1 1 61 61 SER N N 15 121.1277 0.0000 . 1 . . 10401 . . 211 SER N . 27287 1 179 . 1 1 62 62 SER H H 1 7.1165 0.0000 . 1 . . 21215 . . 212 SER H . 27287 1 180 . 1 1 62 62 SER CA C 13 57.5640 0.0000 . 1 . . 21239 . . 212 SER CA . 27287 1 181 . 1 1 62 62 SER CB C 13 65.2239 0.0000 . 1 . . 21236 . . 212 SER CB . 27287 1 182 . 1 1 62 62 SER N N 15 109.9012 0.0000 . 1 . . 21216 . . 212 SER N . 27287 1 183 . 1 1 64 64 LYS CA C 13 58.4939 0.0000 . 1 . . 9023 . . 214 LYS CA . 27287 1 184 . 1 1 64 64 LYS CB C 13 32.0650 0.0000 . 1 . . 10688 . . 214 LYS CB . 27287 1 185 . 1 1 65 65 ALA H H 1 7.2913 0.0000 . 1 . . 9085 . . 215 ALA H . 27287 1 186 . 1 1 65 65 ALA CA C 13 51.4134 0.0000 . 1 . . 10646 . . 215 ALA CA . 27287 1 187 . 1 1 65 65 ALA CB C 13 19.7230 0.0000 . 1 . . 10721 . . 215 ALA CB . 27287 1 188 . 1 1 65 65 ALA N N 15 119.8716 0.0000 . 1 . . 9087 . . 215 ALA N . 27287 1 189 . 1 1 66 66 VAL H H 1 6.7217 0.0000 . 1 . . 11968 . . 216 VAL H . 27287 1 190 . 1 1 66 66 VAL CA C 13 62.8893 0.0000 . 1 . . 11066 . . 216 VAL CA . 27287 1 191 . 1 1 66 66 VAL CB C 13 31.5007 0.0000 . 1 . . 11969 . . 216 VAL CB . 27287 1 192 . 1 1 66 66 VAL N N 15 118.9481 0.0000 . 1 . . 11970 . . 216 VAL N . 27287 1 193 . 1 1 67 67 ALA H H 1 11.4644 0.0000 . 1 . . 11065 . . 217 ALA H . 27287 1 194 . 1 1 67 67 ALA CA C 13 50.8405 0.0000 . 1 . . 9425 . . 217 ALA CA . 27287 1 195 . 1 1 67 67 ALA CB C 13 23.0552 0.0000 . 1 . . 11996 . . 217 ALA CB . 27287 1 196 . 1 1 67 67 ALA N N 15 134.61 0.0000 . 1 . . 11067 . . 217 ALA N . 27287 1 197 . 1 1 68 68 ARG H H 1 8.4700 0.0000 . 1 . . 10642 . . 218 ARG H . 27287 1 198 . 1 1 68 68 ARG CA C 13 60.7493 0.0000 . 1 . . 8978 . . 218 ARG CA . 27287 1 199 . 1 1 68 68 ARG CB C 13 29.5008 0.0000 . 1 . . 11978 . . 218 ARG CB . 27287 1 200 . 1 1 68 68 ARG N N 15 119.9968 0.0000 . 1 . . 10644 . . 218 ARG N . 27287 1 201 . 1 1 69 69 GLU H H 1 9.0621 0.0000 . 1 . . 21609 . . 219 GLU H . 27287 1 202 . 1 1 69 69 GLU CA C 13 58.3965 0.0000 . 1 . . 10589 . . 219 GLU CA . 27287 1 203 . 1 1 69 69 GLU CB C 13 28.3207 0.0000 . 1 . . 21612 . . 219 GLU CB . 27287 1 204 . 1 1 69 69 GLU N N 15 117.3394 0.0000 . 1 . . 21610 . . 219 GLU N . 27287 1 205 . 1 1 70 70 HIS H H 1 8.0885 0.0000 . 1 . . 10588 . . 220 HIS H . 27287 1 206 . 1 1 70 70 HIS CA C 13 57.7323 0.0000 . 1 . . 10430 . . 220 HIS CA . 27287 1 207 . 1 1 70 70 HIS CB C 13 32.0635 0.0000 . 1 . . 11948 . . 220 HIS CB . 27287 1 208 . 1 1 70 70 HIS N N 15 119.5333 0.0000 . 1 . . 10590 . . 220 HIS N . 27287 1 209 . 1 1 71 71 LEU H H 1 7.8753 0.0000 . 1 . . 12722 . . 221 LEU H . 27287 1 210 . 1 1 71 71 LEU CA C 13 59.5303 0.0000 . 1 . . 10871 . . 221 LEU CA . 27287 1 211 . 1 1 71 71 LEU CB C 13 42.5002 0.0000 . 1 . . 18061 . . 221 LEU CB . 27287 1 212 . 1 1 71 71 LEU N N 15 121.3986 0.0000 . 1 . . 12723 . . 221 LEU N . 27287 1 213 . 1 1 72 72 GLU H H 1 8.5619 0.0000 . 1 . . 10909 . . 222 GLU H . 27287 1 214 . 1 1 72 72 GLU CA C 13 60.0748 0.0000 . 1 . . 9605 . . 222 GLU CA . 27287 1 215 . 1 1 72 72 GLU CB C 13 28.2615 0.0000 . 1 . . 11399 . . 222 GLU CB . 27287 1 216 . 1 1 72 72 GLU N N 15 116.2626 0.0000 . 1 . . 10911 . . 222 GLU N . 27287 1 217 . 1 1 73 73 LEU H H 1 8.1024 0.0000 . 1 . . 11398 . . 223 LEU H . 27287 1 218 . 1 1 73 73 LEU CA C 13 58.2024 0.0000 . 1 . . 15716 . . 223 LEU CA . 27287 1 219 . 1 1 73 73 LEU CB C 13 41.5002 0.0000 . 1 . . 14509 . . 223 LEU CB . 27287 1 220 . 1 1 73 73 LEU N N 15 124.3060 0.0000 . 1 . . 11400 . . 223 LEU N . 27287 1 221 . 1 1 74 74 LEU H H 1 8.5547 0.0000 . 1 . . 15695 . . 224 LEU H . 27287 1 222 . 1 1 74 74 LEU CA C 13 58.4071 0.0000 . 1 . . 9761 . . 224 LEU CA . 27287 1 223 . 1 1 74 74 LEU CB C 13 42.0138 0.0000 . 1 . . 10484 . . 224 LEU CB . 27287 1 224 . 1 1 74 74 LEU N N 15 119.8291 0.0000 . 1 . . 15696 . . 224 LEU N . 27287 1 225 . 1 1 75 75 LYS H H 1 8.8849 0.0000 . 1 . . 11530 . . 225 LYS H . 27287 1 226 . 1 1 75 75 LYS CA C 13 57.2063 0.0000 . 1 . . 11567 . . 225 LYS CA . 27287 1 227 . 1 1 75 75 LYS CB C 13 33.0006 0.0000 . 1 . . 22871 . . 225 LYS CB . 27287 1 228 . 1 1 75 75 LYS N N 15 122.0216 0.0000 . 1 . . 11532 . . 225 LYS N . 27287 1 229 . 1 1 76 76 HIS H H 1 8.0839 0.0000 . 1 . . 8836 . . 226 HIS H . 27287 1 230 . 1 1 76 76 HIS CB C 13 31.2798 0.0000 . 1 . . 22930 . . 226 HIS CB . 27287 1 231 . 1 1 76 76 HIS N N 15 121.0417 0.0000 . 1 . . 8838 . . 226 HIS N . 27287 1 232 . 1 1 77 77 MET H H 1 9.0965 0.0000 . 1 . . 21614 . . 227 MET H . 27287 1 233 . 1 1 77 77 MET CA C 13 60.7124 0.0000 . 1 . . 10757 . . 227 MET CA . 27287 1 234 . 1 1 77 77 MET N N 15 117.3721 0.0000 . 1 . . 21615 . . 227 MET N . 27287 1 235 . 1 1 78 78 HIS H H 1 7.4967 0.0000 . 1 . . 12181 . . 228 HIS H . 27287 1 236 . 1 1 78 78 HIS CA C 13 60.9993 0.0000 . 1 . . 18983 . . 228 HIS CA . 27287 1 237 . 1 1 78 78 HIS CB C 13 32.2506 0.0000 . 1 . . 18869 . . 228 HIS CB . 27287 1 238 . 1 1 78 78 HIS N N 15 117.7486 0.0000 . 1 . . 12183 . . 228 HIS N . 27287 1 239 . 1 1 79 79 THR H H 1 8.2028 0.0000 . 1 . . 18707 . . 229 THR H . 27287 1 240 . 1 1 79 79 THR CA C 13 66.5178 0.0000 . 1 . . 10328 . . 229 THR CA . 27287 1 241 . 1 1 79 79 THR CB C 13 68.8141 0.0000 . 1 . . 18894 . . 229 THR CB . 27287 1 242 . 1 1 79 79 THR N N 15 115.0255 0.0000 . 1 . . 18709 . . 229 THR N . 27287 1 243 . 1 1 80 80 VAL H H 1 8.4994 0.0000 . 1 . . 10324 . . 230 VAL H . 27287 1 244 . 1 1 80 80 VAL CA C 13 66.5460 0.0000 . 1 . . 12533 . . 230 VAL CA . 27287 1 245 . 1 1 80 80 VAL CB C 13 31.0007 0.0000 . 1 . . 14073 . . 230 VAL CB . 27287 1 246 . 1 1 80 80 VAL N N 15 123.3335 0.0000 . 1 . . 10326 . . 230 VAL N . 27287 1 247 . 1 1 81 81 GLY H H 1 8.1679 0.0000 . 1 . . 9445 . . 231 GLY H . 27287 1 248 . 1 1 81 81 GLY CA C 13 48.1184 0.0000 . 1 . . 18355 . . 231 GLY CA . 27287 1 249 . 1 1 81 81 GLY N N 15 108.3271 0.0000 . 1 . . 9447 . . 231 GLY N . 27287 1 250 . 1 1 82 82 GLU H H 1 7.8651 0.0000 . 1 . . 18340 . . 232 GLU H . 27287 1 251 . 1 1 82 82 GLU CA C 13 59.7402 0.0000 . 1 . . 11552 . . 232 GLU CA . 27287 1 252 . 1 1 82 82 GLU CB C 13 29.4957 0.0000 . 1 . . 18352 . . 232 GLU CB . 27287 1 253 . 1 1 82 82 GLU N N 15 117.2237 0.0000 . 1 . . 18341 . . 232 GLU N . 27287 1 254 . 1 1 83 83 LYS H H 1 7.6750 0.0000 . 1 . . 10522 . . 233 LYS H . 27287 1 255 . 1 1 83 83 LYS CA C 13 58.8196 0.0000 . 1 . . 9920 . . 233 LYS CA . 27287 1 256 . 1 1 83 83 LYS CB C 13 32.2659 0.0000 . 1 . . 11726 . . 233 LYS CB . 27287 1 257 . 1 1 83 83 LYS N N 15 121.9336 0.0000 . 1 . . 10524 . . 233 LYS N . 27287 1 258 . 1 1 84 84 VAL H H 1 7.9772 0.0000 . 1 . . 11959 . . 234 VAL H . 27287 1 259 . 1 1 84 84 VAL CA C 13 66.0560 0.0000 . 1 . . 9869 . . 234 VAL CA . 27287 1 260 . 1 1 84 84 VAL CB C 13 30.7507 0.0000 . 1 . . 22434 . . 234 VAL CB . 27287 1 261 . 1 1 84 84 VAL N N 15 118.6432 0.0000 . 1 . . 11961 . . 234 VAL N . 27287 1 262 . 1 1 85 85 ILE H H 1 6.8838 0.0000 . 1 . . 11926 . . 235 ILE H . 27287 1 263 . 1 1 85 85 ILE CA C 13 65.9009 0.0000 . 1 . . 10733 . . 235 ILE CA . 27287 1 264 . 1 1 85 85 ILE CB C 13 37.5004 0.0000 . 1 . . 12164 . . 235 ILE CB . 27287 1 265 . 1 1 85 85 ILE N N 15 118.5925 0.0000 . 1 . . 11928 . . 235 ILE N . 27287 1 266 . 1 1 86 86 VAL H H 1 6.9344 0.0000 . 1 . . 10732 . . 236 VAL H . 27287 1 267 . 1 1 86 86 VAL CA C 13 66.2491 0.0000 . 1 . . 15827 . . 236 VAL CA . 27287 1 268 . 1 1 86 86 VAL CB C 13 31.7367 0.0000 . 1 . . 10673 . . 236 VAL CB . 27287 1 269 . 1 1 86 86 VAL N N 15 117.9164 0.0000 . 1 . . 10734 . . 236 VAL N . 27287 1 270 . 1 1 87 87 ASP H H 1 8.4103 0.0000 . 1 . . 9865 . . 237 ASP H . 27287 1 271 . 1 1 87 87 ASP CA C 13 56.9094 0.0000 . 1 . . 10097 . . 237 ASP CA . 27287 1 272 . 1 1 87 87 ASP CB C 13 40.3220 0.0000 . 1 . . 11915 . . 237 ASP CB . 27287 1 273 . 1 1 87 87 ASP N N 15 119.1545 0.0000 . 1 . . 9867 . . 237 ASP N . 27287 1 274 . 1 1 88 88 PHE H H 1 8.2208 0.0000 . 1 . . 10096 . . 238 PHE H . 27287 1 275 . 1 1 88 88 PHE CA C 13 59.2063 0.0000 . 1 . . 14009 . . 238 PHE CA . 27287 1 276 . 1 1 88 88 PHE CB C 13 40.6800 0.0000 . 1 . . 14021 . . 238 PHE CB . 27287 1 277 . 1 1 88 88 PHE N N 15 114.5140 0.0000 . 1 . . 10098 . . 238 PHE N . 27287 1 278 . 1 1 89 89 ALA H H 1 8.3167 0.0000 . 1 . . 13994 . . 239 ALA H . 27287 1 279 . 1 1 89 89 ALA CA C 13 52.1022 0.0000 . 1 . . 9386 . . 239 ALA CA . 27287 1 280 . 1 1 89 89 ALA CB C 13 19.4171 0.0000 . 1 . . 14001 . . 239 ALA CB . 27287 1 281 . 1 1 89 89 ALA N N 15 123.3776 0.0000 . 1 . . 13996 . . 239 ALA N . 27287 1 282 . 1 1 90 90 GLY H H 1 7.9823 0.0000 . 1 . . 12514 . . 240 GLY H . 27287 1 283 . 1 1 90 90 GLY CA C 13 47.7370 0.0000 . 1 . . 12521 . . 240 GLY CA . 27287 1 284 . 1 1 90 90 GLY N N 15 109.8643 0.0000 . 1 . . 12516 . . 240 GLY N . 27287 1 285 . 1 1 93 93 LYS CA C 13 56.8634 0.0000 . 1 . . 9809 . . 243 LYS CA . 27287 1 286 . 1 1 93 93 LYS CB C 13 30.7564 0.0000 . 1 . . 10514 . . 243 LYS CB . 27287 1 287 . 1 1 94 94 LEU H H 1 7.7348 0.0000 . 1 . . 9808 . . 244 LEU H . 27287 1 288 . 1 1 94 94 LEU CA C 13 54.6130 0.0000 . 1 . . 8912 . . 244 LEU CA . 27287 1 289 . 1 1 94 94 LEU CB C 13 43.9957 0.0000 . 1 . . 11897 . . 244 LEU CB . 27287 1 290 . 1 1 94 94 LEU N N 15 120.4925 0.0000 . 1 . . 9810 . . 244 LEU N . 27287 1 291 . 1 1 95 95 ARG H H 1 8.1484 0.0000 . 1 . . 11599 . . 245 ARG H . 27287 1 292 . 1 1 95 95 ARG CA C 13 55.2968 0.0000 . 1 . . 14831 . . 245 ARG CA . 27287 1 293 . 1 1 95 95 ARG N N 15 120.4147 0.0000 . 1 . . 11601 . . 245 ARG N . 27287 1 294 . 1 1 96 96 PHE H H 1 8.7377 0.0000 . 1 . . 14715 . . 246 PHE H . 27287 1 295 . 1 1 96 96 PHE CA C 13 57.3551 0.0000 . 1 . . 12263 . . 246 PHE CA . 27287 1 296 . 1 1 96 96 PHE CB C 13 45.2074 0.0000 . 1 . . 12299 . . 246 PHE CB . 27287 1 297 . 1 1 96 96 PHE N N 15 119.6533 0.0000 . 1 . . 14717 . . 246 PHE N . 27287 1 298 . 1 1 97 97 ARG H H 1 8.4402 0.0000 . 1 . . 12262 . . 247 ARG H . 27287 1 299 . 1 1 97 97 ARG CA C 13 56.1676 0.0000 . 1 . . 11570 . . 247 ARG CA . 27287 1 300 . 1 1 97 97 ARG CB C 13 35.4934 0.0000 . 1 . . 11693 . . 247 ARG CB . 27287 1 301 . 1 1 97 97 ARG N N 15 116.4422 0.0000 . 1 . . 12264 . . 247 ARG N . 27287 1 302 . 1 1 98 98 LEU H H 1 9.0787 0.0000 . 1 . . 11644 . . 248 LEU H . 27287 1 303 . 1 1 98 98 LEU CA C 13 54.3184 0.0000 . 1 . . 11009 . . 248 LEU CA . 27287 1 304 . 1 1 98 98 LEU CB C 13 44.1627 0.0000 . 1 . . 11645 . . 248 LEU CB . 27287 1 305 . 1 1 98 98 LEU N N 15 121.9583 0.0000 . 1 . . 11646 . . 248 LEU N . 27287 1 306 . 1 1 99 99 GLY H H 1 9.0005 0.0000 . 1 . . 9379 . . 249 GLY H . 27287 1 307 . 1 1 99 99 GLY CA C 13 46.8966 0.0000 . 1 . . 12293 . . 249 GLY CA . 27287 1 308 . 1 1 99 99 GLY N N 15 111.0586 0.0000 . 1 . . 9381 . . 249 GLY N . 27287 1 309 . 1 1 100 100 TYR H H 1 8.7736 0.0000 . 1 . . 10903 . . 250 TYR H . 27287 1 310 . 1 1 100 100 TYR CA C 13 56.7495 0.0000 . 1 . . 22004 . . 250 TYR CA . 27287 1 311 . 1 1 100 100 TYR N N 15 116.3837 0.0000 . 1 . . 10905 . . 250 TYR N . 27287 1 312 . 1 1 101 101 HIS H H 1 8.5716 0.0000 . 1 . . 15721 . . 251 HIS H . 27287 1 313 . 1 1 101 101 HIS CA C 13 55.1630 0.0000 . 1 . . 14315 . . 251 HIS CA . 27287 1 314 . 1 1 101 101 HIS N N 15 119.5840 0.0000 . 1 . . 15722 . . 251 HIS N . 27287 1 315 . 1 1 102 102 ALA H H 1 8.5039 0.0000 . 1 . . 14312 . . 252 ALA H . 27287 1 316 . 1 1 102 102 ALA CA C 13 54.4546 0.0000 . 1 . . 10118 . . 252 ALA CA . 27287 1 317 . 1 1 102 102 ALA CB C 13 18.9791 0.0000 . 1 . . 14324 . . 252 ALA CB . 27287 1 318 . 1 1 102 102 ALA N N 15 122.7980 0.0000 . 1 . . 14313 . . 252 ALA N . 27287 1 319 . 1 1 103 103 ILE H H 1 6.1241 0.0000 . 1 . . 9352 . . 253 ILE H . 27287 1 320 . 1 1 103 103 ILE CA C 13 57.2099 0.0000 . 1 . . 12458 . . 253 ILE CA . 27287 1 321 . 1 1 103 103 ILE CB C 13 39.0003 0.0000 . 1 . . 20451 . . 253 ILE CB . 27287 1 322 . 1 1 103 103 ILE N N 15 112.8320 0.0000 . 1 . . 9354 . . 253 ILE N . 27287 1 323 . 1 1 110 110 HIS CA C 13 56.0615 0.0000 . 1 . . 10268 . . 260 HIS CA . 27287 1 324 . 1 1 110 110 HIS CB C 13 33.0084 0.0000 . 1 . . 10304 . . 260 HIS CB . 27287 1 325 . 1 1 111 111 LEU H H 1 8.4192 0.0000 . 1 . . 9637 . . 261 LEU H . 27287 1 326 . 1 1 111 111 LEU CA C 13 54.1758 0.0000 . 1 . . 8729 . . 261 LEU CA . 27287 1 327 . 1 1 111 111 LEU CB C 13 45.1316 0.0000 . 1 . . 11348 . . 261 LEU CB . 27287 1 328 . 1 1 111 111 LEU N N 15 124.2664 0.0000 . 1 . . 9639 . . 261 LEU N . 27287 1 329 . 1 1 112 112 HIS H H 1 9.4809 0.0000 . 1 . . 10285 . . 262 HIS H . 27287 1 330 . 1 1 112 112 HIS CA C 13 57.2652 0.0000 . 1 . . 11432 . . 262 HIS CA . 27287 1 331 . 1 1 112 112 HIS CB C 13 34.5005 0.0000 . 1 . . 13526 . . 262 HIS CB . 27287 1 332 . 1 1 112 112 HIS N N 15 125.3005 0.0000 . 1 . . 10287 . . 262 HIS N . 27287 1 333 . 1 1 113 113 VAL H H 1 9.3664 0.0000 . 1 . . 11497 . . 263 VAL H . 27287 1 334 . 1 1 113 113 VAL CA C 13 62.2764 0.0000 . 1 . . 9665 . . 263 VAL CA . 27287 1 335 . 1 1 113 113 VAL CB C 13 33.1464 0.0000 . 1 . . 11498 . . 263 VAL CB . 27287 1 336 . 1 1 113 113 VAL N N 15 123.4218 0.0000 . 1 . . 11499 . . 263 VAL N . 27287 1 337 . 1 1 114 114 ILE H H 1 8.9796 0.0000 . 1 . . 8764 . . 264 ILE H . 27287 1 338 . 1 1 114 114 ILE CA C 13 58.4022 0.0000 . 1 . . 10157 . . 264 ILE CA . 27287 1 339 . 1 1 114 114 ILE N N 15 123.2941 0.0000 . 1 . . 8766 . . 264 ILE N . 27287 1 340 . 1 1 115 115 SER H H 1 8.7694 0.0000 . 1 . . 11092 . . 265 SER H . 27287 1 341 . 1 1 115 115 SER CA C 13 58.8128 0.0000 . 1 . . 20801 . . 265 SER CA . 27287 1 342 . 1 1 115 115 SER CB C 13 62.9992 0.0000 . 1 . . 11093 . . 265 SER CB . 27287 1 343 . 1 1 115 115 SER N N 15 128.5566 0.0000 . 1 . . 11094 . . 265 SER N . 27287 1 344 . 1 1 116 116 GLN H H 1 7.5066 0.0000 . 1 . . 12508 . . 266 GLN H . 27287 1 345 . 1 1 116 116 GLN CA C 13 55.2069 0.0000 . 1 . . 17535 . . 266 GLN CA . 27287 1 346 . 1 1 116 116 GLN N N 15 110.4240 0.0000 . 1 . . 12510 . . 266 GLN N . 27287 1 347 . 1 1 117 117 ASP H H 1 9.2116 0.0000 . 1 . . 17523 . . 267 ASP H . 27287 1 348 . 1 1 117 117 ASP CA C 13 54.7923 0.0000 . 1 . . 12581 . . 267 ASP CA . 27287 1 349 . 1 1 117 117 ASP CB C 13 40.6689 0.0000 . 1 . . 17532 . . 267 ASP CB . 27287 1 350 . 1 1 117 117 ASP N N 15 117.1495 0.0000 . 1 . . 17525 . . 267 ASP N . 27287 1 351 . 1 1 118 118 PHE H H 1 5.9110 0.0000 . 1 . . 11089 . . 268 PHE H . 27287 1 352 . 1 1 118 118 PHE CA C 13 60.6597 0.0000 . 1 . . 12578 . . 268 PHE CA . 27287 1 353 . 1 1 118 118 PHE CB C 13 37.7420 0.0000 . 1 . . 12584 . . 268 PHE CB . 27287 1 354 . 1 1 118 118 PHE N N 15 106.8059 0.0000 . 1 . . 11091 . . 268 PHE N . 27287 1 355 . 1 1 119 119 ASP H H 1 9.0831 0.0000 . 1 . . 21459 . . 269 ASP H . 27287 1 356 . 1 1 119 119 ASP CA C 13 52.2181 0.0000 . 1 . . 23250 . . 269 ASP CA . 27287 1 357 . 1 1 119 119 ASP CB C 13 40.0463 0.0000 . 1 . . 23265 . . 269 ASP CB . 27287 1 358 . 1 1 119 119 ASP N N 15 117.5764 0.0000 . 1 . . 21461 . . 269 ASP N . 27287 1 359 . 1 1 120 120 SER H H 1 7.3511 0.0000 . 1 . . 23244 . . 270 SER H . 27287 1 360 . 1 1 120 120 SER CA C 13 53.3492 0.0000 . 1 . . 23268 . . 270 SER CA . 27287 1 361 . 1 1 120 120 SER CB C 13 65.2434 0.0000 . 1 . . 23256 . . 270 SER CB . 27287 1 362 . 1 1 120 120 SER N N 15 113.0822 0.0000 . 1 . . 23246 . . 270 SER N . 27287 1 363 . 1 1 121 121 PRO CA C 13 63.6397 0.0000 . 1 . . 12017 . . 271 PRO CA . 27287 1 364 . 1 1 121 121 PRO CB C 13 32.2037 0.0000 . 1 . . 10997 . . 271 PRO CB . 27287 1 365 . 1 1 122 122 CYS H H 1 7.9586 0.0000 . 1 . . 10996 . . 272 CYS H . 27287 1 366 . 1 1 122 122 CYS CA C 13 59.3179 0.0000 . 1 . . 10424 . . 272 CYS CA . 27287 1 367 . 1 1 122 122 CYS CB C 13 26.7838 0.0000 . 1 . . 10526 . . 272 CYS CB . 27287 1 368 . 1 1 122 122 CYS N N 15 114.4195 0.0000 . 1 . . 10998 . . 272 CYS N . 27287 1 369 . 1 1 123 123 LEU H H 1 7.0943 0.0000 . 1 . . 11620 . . 273 LEU H . 27287 1 370 . 1 1 123 123 LEU CA C 13 55.7635 0.0000 . 1 . . 9554 . . 273 LEU CA . 27287 1 371 . 1 1 123 123 LEU CB C 13 41.2502 0.0000 . 1 . . 11690 . . 273 LEU CB . 27287 1 372 . 1 1 123 123 LEU N N 15 121.4285 0.0000 . 1 . . 11622 . . 273 LEU N . 27287 1 373 . 1 1 124 124 LYS H H 1 10.3126 0.0000 . 1 . . 9550 . . 274 LYS H . 27287 1 374 . 1 1 124 124 LYS CA C 13 57.1316 0.0000 . 1 . . 18450 . . 274 LYS CA . 27287 1 375 . 1 1 124 124 LYS N N 15 127.1914 0.0000 . 1 . . 9552 . . 274 LYS N . 27287 1 376 . 1 1 125 125 ASN H H 1 8.1132 0.0000 . 1 . . 18441 . . 275 ASN H . 27287 1 377 . 1 1 125 125 ASN CA C 13 52.1139 0.0000 . 1 . . 18456 . . 275 ASN CA . 27287 1 378 . 1 1 125 125 ASN CB C 13 41.2451 0.0000 . 1 . . 18459 . . 275 ASN CB . 27287 1 379 . 1 1 125 125 ASN N N 15 117.1192 0.0000 . 1 . . 18442 . . 275 ASN N . 27287 1 380 . 1 1 128 128 HIS CA C 13 58.0888 0.0000 . 1 . . 10046 . . 278 HIS CA . 27287 1 381 . 1 1 128 128 HIS CB C 13 33.3074 0.0000 . 1 . . 22435 . . 278 HIS CB . 27287 1 382 . 1 1 129 129 TRP H H 1 7.6218 0.0000 . 1 . . 10045 . . 279 TRP H . 27287 1 383 . 1 1 129 129 TRP CA C 13 60.4845 0.0000 . 1 . . 12227 . . 279 TRP CA . 27287 1 384 . 1 1 129 129 TRP CB C 13 30.5107 0.0000 . 1 . . 12326 . . 279 TRP CB . 27287 1 385 . 1 1 129 129 TRP N N 15 115.6996 0.0000 . 1 . . 10047 . . 279 TRP N . 27287 1 386 . 1 1 130 130 ASN H H 1 9.1307 0.0000 . 1 . . 12226 . . 280 ASN H . 27287 1 387 . 1 1 130 130 ASN CA C 13 55.1317 0.0000 . 1 . . 9179 . . 280 ASN CA . 27287 1 388 . 1 1 130 130 ASN CB C 13 39.0003 0.0000 . 1 . . 12302 . . 280 ASN CB . 27287 1 389 . 1 1 130 130 ASN N N 15 116.3048 0.0000 . 1 . . 12228 . . 280 ASN N . 27287 1 390 . 1 1 131 131 SER H H 1 8.0192 0.0000 . 1 . . 9178 . . 281 SER H . 27287 1 391 . 1 1 131 131 SER CA C 13 60.6881 0.0000 . 1 . . 20385 . . 281 SER CA . 27287 1 392 . 1 1 131 131 SER CB C 13 61.9993 0.0000 . 1 . . 20318 . . 281 SER CB . 27287 1 393 . 1 1 131 131 SER N N 15 117.0323 0.0000 . 1 . . 9180 . . 281 SER N . 27287 1 394 . 1 1 132 132 PHE H H 1 6.4909 0.0000 . 1 . . 12908 . . 282 PHE H . 27287 1 395 . 1 1 132 132 PHE CA C 13 59.0795 0.0000 . 1 . . 10964 . . 282 PHE CA . 27287 1 396 . 1 1 132 132 PHE CB C 13 42.6773 0.0000 . 1 . . 20189 . . 282 PHE CB . 27287 1 397 . 1 1 132 132 PHE N N 15 112.7116 0.0000 . 1 . . 12909 . . 282 PHE N . 27287 1 398 . 1 1 133 133 ASN H H 1 6.7668 0.0000 . 1 . . 9313 . . 283 ASN H . 27287 1 399 . 1 1 133 133 ASN CA C 13 54.5572 0.0000 . 1 . . 10145 . . 283 ASN CA . 27287 1 400 . 1 1 133 133 ASN CB C 13 39.9173 0.0000 . 1 . . 12569 . . 283 ASN CB . 27287 1 401 . 1 1 133 133 ASN N N 15 114.0801 0.0000 . 1 . . 9315 . . 283 ASN N . 27287 1 402 . 1 1 134 134 THR H H 1 7.1500 0.0000 . 1 . . 12547 . . 284 THR H . 27287 1 403 . 1 1 134 134 THR CA C 13 60.9638 0.0000 . 1 . . 9878 . . 284 THR CA . 27287 1 404 . 1 1 134 134 THR N N 15 107.7714 0.0000 . 1 . . 12549 . . 284 THR N . 27287 1 405 . 1 1 135 135 GLU H H 1 9.2959 0.0000 . 1 . . 11971 . . 285 GLU H . 27287 1 406 . 1 1 135 135 GLU CA C 13 58.7705 0.0000 . 1 . . 9014 . . 285 GLU CA . 27287 1 407 . 1 1 135 135 GLU CB C 13 28.7760 0.0000 . 1 . . 11972 . . 285 GLU CB . 27287 1 408 . 1 1 135 135 GLU N N 15 119.8893 0.0000 . 1 . . 11973 . . 285 GLU N . 27287 1 409 . 1 1 136 136 TYR H H 1 7.8335 0.0000 . 1 . . 12758 . . 286 TYR H . 27287 1 410 . 1 1 136 136 TYR CA C 13 60.2141 0.0000 . 1 . . 18378 . . 286 TYR CA . 27287 1 411 . 1 1 136 136 TYR CB C 13 40.2237 0.0000 . 1 . . 11918 . . 286 TYR CB . 27287 1 412 . 1 1 136 136 TYR N N 15 119.6775 0.0000 . 1 . . 12759 . . 286 TYR N . 27287 1 413 . 1 1 137 137 PHE H H 1 7.8661 0.0000 . 1 . . 18360 . . 287 PHE H . 27287 1 414 . 1 1 137 137 PHE CA C 13 56.4592 0.0000 . 1 . . 11099 . . 287 PHE CA . 27287 1 415 . 1 1 137 137 PHE CB C 13 38.8490 0.0000 . 1 . . 18375 . . 287 PHE CB . 27287 1 416 . 1 1 137 137 PHE N N 15 117.4815 0.0000 . 1 . . 18361 . . 287 PHE N . 27287 1 417 . 1 1 138 138 LEU H H 1 9.0797 0.0000 . 1 . . 11104 . . 288 LEU H . 27287 1 418 . 1 1 138 138 LEU CA C 13 54.1003 0.0000 . 1 . . 9695 . . 288 LEU CA . 27287 1 419 . 1 1 138 138 LEU CB C 13 43.3935 0.0000 . 1 . . 11468 . . 288 LEU CB . 27287 1 420 . 1 1 138 138 LEU N N 15 129.0042 0.0000 . 1 . . 11106 . . 288 LEU N . 27287 1 421 . 1 1 139 139 GLU H H 1 8.8356 0.0000 . 1 . . 10366 . . 289 GLU H . 27287 1 422 . 1 1 139 139 GLU CA C 13 57.6405 0.0000 . 1 . . 22430 . . 289 GLU CA . 27287 1 423 . 1 1 139 139 GLU CB C 13 29.9908 0.0000 . 1 . . 22429 . . 289 GLU CB . 27287 1 424 . 1 1 139 139 GLU N N 15 123.4455 0.0000 . 1 . . 10368 . . 289 GLU N . 27287 1 425 . 1 1 140 140 SER H H 1 9.1483 0.0000 . 1 . . 12692 . . 290 SER H . 27287 1 426 . 1 1 140 140 SER CA C 13 61.7739 0.0000 . 1 . . 10079 . . 290 SER CA . 27287 1 427 . 1 1 140 140 SER N N 15 120.1808 0.0000 . 1 . . 12693 . . 290 SER N . 27287 1 428 . 1 1 141 141 GLN H H 1 9.1969 0.0000 . 1 . . 9289 . . 291 GLN H . 27287 1 429 . 1 1 141 141 GLN CA C 13 58.8741 0.0000 . 1 . . 10619 . . 291 GLN CA . 27287 1 430 . 1 1 141 141 GLN CB C 13 27.9699 0.0000 . 1 . . 11993 . . 291 GLN CB . 27287 1 431 . 1 1 141 141 GLN N N 15 114.3181 0.0000 . 1 . . 9291 . . 291 GLN N . 27287 1 432 . 1 1 142 142 ALA H H 1 6.9213 0.0000 . 1 . . 11992 . . 292 ALA H . 27287 1 433 . 1 1 142 142 ALA CA C 13 54.9612 0.0000 . 1 . . 8903 . . 292 ALA CA . 27287 1 434 . 1 1 142 142 ALA CB C 13 18.0447 0.0000 . 1 . . 10535 . . 292 ALA CB . 27287 1 435 . 1 1 142 142 ALA N N 15 120.1644 0.0000 . 1 . . 11994 . . 292 ALA N . 27287 1 436 . 1 1 143 143 VAL H H 1 8.1029 0.0000 . 1 . . 8812 . . 293 VAL H . 27287 1 437 . 1 1 143 143 VAL CA C 13 67.4883 0.0000 . 1 . . 22306 . . 293 VAL CA . 27287 1 438 . 1 1 143 143 VAL N N 15 121.5952 0.0000 . 1 . . 8814 . . 293 VAL N . 27287 1 439 . 1 1 144 144 ILE H H 1 8.4198 0.0000 . 1 . . 22302 . . 294 ILE H . 27287 1 440 . 1 1 144 144 ILE CA C 13 66.6053 0.0000 . 1 . . 10724 . . 294 ILE CA . 27287 1 441 . 1 1 144 144 ILE CB C 13 38.5021 0.0000 . 1 . . 12140 . . 294 ILE CB . 27287 1 442 . 1 1 144 144 ILE N N 15 119.8764 0.0000 . 1 . . 22304 . . 294 ILE N . 27287 1 443 . 1 1 145 145 GLU H H 1 7.9633 0.0000 . 1 . . 12139 . . 295 GLU H . 27287 1 444 . 1 1 145 145 GLU CA C 13 59.7901 0.0000 . 1 . . 9911 . . 295 GLU CA . 27287 1 445 . 1 1 145 145 GLU CB C 13 29.4083 0.0000 . 1 . . 11987 . . 295 GLU CB . 27287 1 446 . 1 1 145 145 GLU N N 15 117.7606 0.0000 . 1 . . 12141 . . 295 GLU N . 27287 1 447 . 1 1 146 146 MET H H 1 8.1524 0.0000 . 1 . . 10600 . . 296 MET H . 27287 1 448 . 1 1 146 146 MET CA C 13 60.1567 0.0000 . 1 . . 16479 . . 296 MET CA . 27287 1 449 . 1 1 146 146 MET CB C 13 33.7052 0.0000 . 1 . . 11951 . . 296 MET CB . 27287 1 450 . 1 1 146 146 MET N N 15 119.3057 0.0000 . 1 . . 10602 . . 296 MET N . 27287 1 451 . 1 1 147 147 VAL H H 1 8.0573 0.0000 . 1 . . 16461 . . 297 VAL H . 27287 1 452 . 1 1 147 147 VAL CA C 13 66.8255 0.0000 . 1 . . 14704 . . 297 VAL CA . 27287 1 453 . 1 1 147 147 VAL CB C 13 30.6107 0.0000 . 1 . . 16476 . . 297 VAL CB . 27287 1 454 . 1 1 147 147 VAL N N 15 119.0543 0.0000 . 1 . . 16462 . . 297 VAL N . 27287 1 455 . 1 1 148 148 GLN H H 1 8.7474 0.0000 . 1 . . 14689 . . 298 GLN H . 27287 1 456 . 1 1 148 148 GLN CA C 13 59.7144 0.0000 . 1 . . 9995 . . 298 GLN CA . 27287 1 457 . 1 1 148 148 GLN CB C 13 29.2819 0.0000 . 1 . . 12197 . . 298 GLN CB . 27287 1 458 . 1 1 148 148 GLN N N 15 119.8026 0.0000 . 1 . . 14690 . . 298 GLN N . 27287 1 459 . 1 1 149 149 GLU H H 1 8.3155 0.0000 . 1 . . 12172 . . 299 GLU H . 27287 1 460 . 1 1 149 149 GLU CA C 13 58.5787 0.0000 . 1 . . 9887 . . 299 GLU CA . 27287 1 461 . 1 1 149 149 GLU CB C 13 30.5748 0.0000 . 1 . . 11945 . . 299 GLU CB . 27287 1 462 . 1 1 149 149 GLU N N 15 117.2763 0.0000 . 1 . . 12174 . . 299 GLU N . 27287 1 463 . 1 1 150 150 ALA H H 1 8.6040 0.0000 . 1 . . 11791 . . 300 ALA H . 27287 1 464 . 1 1 150 150 ALA CA C 13 52.2005 0.0000 . 1 . . 11075 . . 300 ALA CA . 27287 1 465 . 1 1 150 150 ALA CB C 13 21.2509 0.0000 . 1 . . 11999 . . 300 ALA CB . 27287 1 466 . 1 1 150 150 ALA N N 15 119.7719 0.0000 . 1 . . 11793 . . 300 ALA N . 27287 1 467 . 1 1 151 151 GLY H H 1 8.2576 0.0000 . 1 . . 12574 . . 301 GLY H . 27287 1 468 . 1 1 151 151 GLY CA C 13 46.1472 0.0000 . 1 . . 10121 . . 301 GLY CA . 27287 1 469 . 1 1 151 151 GLY N N 15 108.8129 0.0000 . 1 . . 12576 . . 301 GLY N . 27287 1 470 . 1 1 152 152 ARG H H 1 7.2108 0.0000 . 1 . . 12463 . . 302 ARG H . 27287 1 471 . 1 1 152 152 ARG CA C 13 54.1578 0.0000 . 1 . . 8795 . . 302 ARG CA . 27287 1 472 . 1 1 152 152 ARG CB C 13 32.0852 0.0000 . 1 . . 12485 . . 302 ARG CB . 27287 1 473 . 1 1 152 152 ARG N N 15 112.5640 0.0000 . 1 . . 12465 . . 302 ARG N . 27287 1 474 . 1 1 153 153 VAL H H 1 9.6609 0.0000 . 1 . . 11419 . . 303 VAL H . 27287 1 475 . 1 1 153 153 VAL CA C 13 62.0002 0.0000 . 1 . . 10256 . . 303 VAL CA . 27287 1 476 . 1 1 153 153 VAL CB C 13 32.7702 0.0000 . 1 . . 11384 . . 303 VAL CB . 27287 1 477 . 1 1 153 153 VAL N N 15 122.5849 0.0000 . 1 . . 11421 . . 303 VAL N . 27287 1 478 . 1 1 154 154 THR H H 1 7.8497 0.0000 . 1 . . 11383 . . 304 THR H . 27287 1 479 . 1 1 154 154 THR CA C 13 62.7219 0.0000 . 1 . . 8582 . . 304 THR CA . 27287 1 480 . 1 1 154 154 THR CB C 13 69.1813 0.0000 . 1 . . 10172 . . 304 THR CB . 27287 1 481 . 1 1 154 154 THR N N 15 125.5914 0.0000 . 1 . . 11385 . . 304 THR N . 27287 1 482 . 1 1 155 155 VAL H H 1 8.3472 0.0000 . 1 . . 11113 . . 305 VAL H . 27287 1 483 . 1 1 155 155 VAL CA C 13 60.9922 0.0000 . 1 . . 11126 . . 305 VAL CA . 27287 1 484 . 1 1 155 155 VAL CB C 13 33.2377 0.0000 . 1 . . 10244 . . 305 VAL CB . 27287 1 485 . 1 1 155 155 VAL N N 15 127.4397 0.0000 . 1 . . 11115 . . 305 VAL N . 27287 1 486 . 1 1 156 156 ARG H H 1 8.6251 0.0000 . 1 . . 11125 . . 306 ARG H . 27287 1 487 . 1 1 156 156 ARG CA C 13 56.4995 0.0000 . 1 . . 15257 . . 306 ARG CA . 27287 1 488 . 1 1 156 156 ARG CB C 13 30.7507 0.0000 . 1 . . 11237 . . 306 ARG CB . 27287 1 489 . 1 1 156 156 ARG N N 15 127.5964 0.0000 . 1 . . 11127 . . 306 ARG N . 27287 1 490 . 1 1 157 157 ASP H H 1 8.3498 0.0000 . 1 . . 15202 . . 307 ASP H . 27287 1 491 . 1 1 157 157 ASP CA C 13 55.2732 0.0000 . 1 . . 15306 . . 307 ASP CA . 27287 1 492 . 1 1 157 157 ASP CB C 13 41.5002 0.0000 . 1 . . 15231 . . 307 ASP CB . 27287 1 493 . 1 1 157 157 ASP N N 15 120.1161 0.0000 . 1 . . 15204 . . 307 ASP N . 27287 1 494 . 1 1 160 160 PRO CA C 13 66.2676 0.0000 . 1 . . 10028 . . 310 PRO CA . 27287 1 495 . 1 1 160 160 PRO CB C 13 30.8870 0.0000 . 1 . . 11963 . . 310 PRO CB . 27287 1 496 . 1 1 161 161 GLU H H 1 7.7737 0.0000 . 1 . . 12250 . . 311 GLU H . 27287 1 497 . 1 1 161 161 GLU CA C 13 58.6390 0.0000 . 1 . . 10415 . . 311 GLU CA . 27287 1 498 . 1 1 161 161 GLU CB C 13 28.7508 0.0000 . 1 . . 16265 . . 311 GLU CB . 27287 1 499 . 1 1 161 161 GLU N N 15 115.4115 0.0000 . 1 . . 12252 . . 311 GLU N . 27287 1 500 . 1 1 162 162 LEU H H 1 7.9827 0.0000 . 1 . . 11548 . . 312 LEU H . 27287 1 501 . 1 1 162 162 LEU CA C 13 57.0257 0.0000 . 1 . . 11012 . . 312 LEU CA . 27287 1 502 . 1 1 162 162 LEU CB C 13 40.9681 0.0000 . 1 . . 11675 . . 312 LEU CB . 27287 1 503 . 1 1 162 162 LEU N N 15 120.5927 0.0000 . 1 . . 11550 . . 312 LEU N . 27287 1 504 . 1 1 163 163 LEU H H 1 7.0410 0.0000 . 1 . . 12451 . . 313 LEU H . 27287 1 505 . 1 1 163 163 LEU CA C 13 56.0232 0.0000 . 1 . . 10019 . . 313 LEU CA . 27287 1 506 . 1 1 163 163 LEU CB C 13 40.7357 0.0000 . 1 . . 12467 . . 313 LEU CB . 27287 1 507 . 1 1 163 163 LEU N N 15 111.2633 0.0000 . 1 . . 12453 . . 313 LEU N . 27287 1 508 . 1 1 164 164 LYS H H 1 7.3495 0.0000 . 1 . . 10810 . . 314 LYS H . 27287 1 509 . 1 1 164 164 LYS CA C 13 55.7915 0.0000 . 1 . . 8783 . . 314 LYS CA . 27287 1 510 . 1 1 164 164 LYS CB C 13 33.1901 0.0000 . 1 . . 10385 . . 314 LYS CB . 27287 1 511 . 1 1 164 164 LYS N N 15 117.8055 0.0000 . 1 . . 10812 . . 314 LYS N . 27287 1 512 . 1 1 165 165 LEU H H 1 6.9746 0.0000 . 1 . . 11503 . . 315 LEU H . 27287 1 513 . 1 1 165 165 LEU CA C 13 54.8542 0.0000 . 1 . . 11450 . . 315 LEU CA . 27287 1 514 . 1 1 165 165 LEU CB C 13 41.0071 0.0000 . 1 . . 11486 . . 315 LEU CB . 27287 1 515 . 1 1 165 165 LEU N N 15 122.7961 0.0000 . 1 . . 11505 . . 315 LEU N . 27287 1 516 . 1 1 166 166 PRO CA C 13 62.8453 0.0000 . 1 . . 9668 . . 316 PRO CA . 27287 1 517 . 1 1 166 166 PRO CB C 13 32.5759 0.0000 . 1 . . 10382 . . 316 PRO CB . 27287 1 518 . 1 1 167 167 LEU H H 1 8.5131 0.0000 . 1 . . 11443 . . 317 LEU H . 27287 1 519 . 1 1 167 167 LEU CA C 13 55.6079 0.0000 . 1 . . 8900 . . 317 LEU CA . 27287 1 520 . 1 1 167 167 LEU CB C 13 41.8025 0.0000 . 1 . . 10487 . . 317 LEU CB . 27287 1 521 . 1 1 167 167 LEU N N 15 122.4824 0.0000 . 1 . . 11445 . . 317 LEU N . 27287 1 522 . 1 1 168 168 ARG H H 1 7.6148 0.0000 . 1 . . 8899 . . 318 ARG H . 27287 1 523 . 1 1 168 168 ARG CA C 13 54.0252 0.0000 . 1 . . 8666 . . 318 ARG CA . 27287 1 524 . 1 1 168 168 ARG CB C 13 33.7506 0.0000 . 1 . . 13344 . . 318 ARG CB . 27287 1 525 . 1 1 168 168 ARG N N 15 122.0435 0.0000 . 1 . . 8901 . . 318 ARG N . 27287 1 526 . 1 1 169 169 CYS H H 1 8.6005 0.0000 . 1 . . 11194 . . 319 CYS H . 27287 1 527 . 1 1 169 169 CYS CA C 13 61.5208 0.0000 . 1 . . 23003 . . 319 CYS CA . 27287 1 528 . 1 1 169 169 CYS CB C 13 30.2881 0.0000 . 1 . . 11246 . . 319 CYS CB . 27287 1 529 . 1 1 169 169 CYS N N 15 126.7225 0.0000 . 1 . . 11196 . . 319 CYS N . 27287 1 530 . 1 1 170 170 HIS CA C 13 58.6052 0.0000 . 1 . . 11279 . . 320 HIS CA . 27287 1 531 . 1 1 170 170 HIS CB C 13 30.4966 0.0000 . 1 . . 10301 . . 320 HIS CB . 27287 1 532 . 1 1 171 171 GLU H H 1 9.1567 0.0000 . 1 . . 11278 . . 321 GLU H . 27287 1 533 . 1 1 171 171 GLU CA C 13 57.5997 0.0000 . 1 . . 10010 . . 321 GLU CA . 27287 1 534 . 1 1 171 171 GLU CB C 13 29.2508 0.0000 . 1 . . 11387 . . 321 GLU CB . 27287 1 535 . 1 1 171 171 GLU N N 15 125.7264 0.0000 . 1 . . 11280 . . 321 GLU N . 27287 1 536 . 1 1 172 172 CYS H H 1 8.2639 0.0000 . 1 . . 10780 . . 322 CYS H . 27287 1 537 . 1 1 172 172 CYS CA C 13 58.6025 0.0000 . 1 . . 10052 . . 322 CYS CA . 27287 1 538 . 1 1 172 172 CYS CB C 13 31.9847 0.0000 . 1 . . 12179 . . 322 CYS CB . 27287 1 539 . 1 1 172 172 CYS N N 15 117.0643 0.0000 . 1 . . 10782 . . 322 CYS N . 27287 1 540 . 1 1 173 173 GLN H H 1 7.4733 0.0000 . 1 . . 12349 . . 323 GLN H . 27287 1 541 . 1 1 173 173 GLN CA C 13 58.6377 0.0000 . 1 . . 10403 . . 323 GLN CA . 27287 1 542 . 1 1 173 173 GLN CB C 13 25.6548 0.0000 . 1 . . 12347 . . 323 GLN CB . 27287 1 543 . 1 1 173 173 GLN N N 15 114.9037 0.0000 . 1 . . 12351 . . 323 GLN N . 27287 1 544 . 1 1 174 174 GLN H H 1 7.8562 0.0000 . 1 . . 11539 . . 324 GLN H . 27287 1 545 . 1 1 174 174 GLN CA C 13 57.5923 0.0000 . 1 . . 8708 . . 324 GLN CA . 27287 1 546 . 1 1 174 174 GLN CB C 13 30.0546 0.0000 . 1 . . 10316 . . 324 GLN CB . 27287 1 547 . 1 1 174 174 GLN N N 15 121.5435 0.0000 . 1 . . 11541 . . 324 GLN N . 27287 1 548 . 1 1 175 175 LEU H H 1 8.3473 0.0000 . 1 . . 11392 . . 325 LEU H . 27287 1 549 . 1 1 175 175 LEU CA C 13 54.9429 0.0000 . 1 . . 9557 . . 325 LEU CA . 27287 1 550 . 1 1 175 175 LEU CB C 13 42.9913 0.0000 . 1 . . 11207 . . 325 LEU CB . 27287 1 551 . 1 1 175 175 LEU N N 15 125.2472 0.0000 . 1 . . 11394 . . 325 LEU N . 27287 1 552 . 1 1 176 176 LEU H H 1 8.3908 0.0000 . 1 . . 8653 . . 326 LEU H . 27287 1 553 . 1 1 176 176 LEU CB C 13 44.2479 0.0000 . 1 . . 11204 . . 326 LEU CB . 27287 1 554 . 1 1 176 176 LEU N N 15 126.6403 0.0000 . 1 . . 8655 . . 326 LEU N . 27287 1 555 . 1 1 177 177 PRO CA C 13 64.3000 0.0000 . 1 . . . . . 327 PRO CA . 27287 1 556 . 1 1 177 177 PRO CB C 13 32.7000 0.0000 . 1 . . . . . 327 PRO CB . 27287 1 557 . 1 1 178 178 SER H H 1 6.7978 0.0000 . 1 . . . . . 328 SER H . 27287 1 558 . 1 1 178 178 SER CA C 13 56.3500 0.0000 . 1 . . . . . 328 SER CA . 27287 1 559 . 1 1 178 178 SER CB C 13 66.1000 0.0000 . 1 . . . . . 328 SER CB . 27287 1 560 . 1 1 178 178 SER N N 15 109.0388 0.0000 . 1 . . . . . 328 SER N . 27287 1 561 . 1 1 180 180 PRO CA C 13 66.6125 0.0000 . 1 . . 10952 . . 330 PRO CA . 27287 1 562 . 1 1 180 180 PRO CB C 13 31.0657 0.0000 . 1 . . 11000 . . 330 PRO CB . 27287 1 563 . 1 1 181 181 GLN H H 1 7.1690 0.0000 . 1 . . 10951 . . 331 GLN H . 27287 1 564 . 1 1 181 181 GLN CA C 13 58.9542 0.0000 . 1 . . 8696 . . 331 GLN CA . 27287 1 565 . 1 1 181 181 GLN CB C 13 28.7921 0.0000 . 1 . . 10319 . . 331 GLN CB . 27287 1 566 . 1 1 181 181 GLN N N 15 114.0161 0.0000 . 1 . . 10953 . . 331 GLN N . 27287 1 567 . 1 1 182 182 LEU H H 1 8.3177 0.0000 . 1 . . 11395 . . 332 LEU H . 27287 1 568 . 1 1 182 182 LEU CA C 13 58.8686 0.0000 . 1 . . 9131 . . 332 LEU CA . 27287 1 569 . 1 1 182 182 LEU CB C 13 41.8078 0.0000 . 1 . . 11360 . . 332 LEU CB . 27287 1 570 . 1 1 182 182 LEU N N 15 124.6774 0.0000 . 1 . . 11397 . . 332 LEU N . 27287 1 571 . 1 1 183 183 LYS H H 1 8.6633 0.0000 . 1 . . 12028 . . 333 LYS H . 27287 1 572 . 1 1 183 183 LYS CA C 13 60.7694 0.0000 . 1 . . 10763 . . 333 LYS CA . 27287 1 573 . 1 1 183 183 LYS CB C 13 32.3162 0.0000 . 1 . . 10841 . . 333 LYS CB . 27287 1 574 . 1 1 183 183 LYS N N 15 118.3350 0.0000 . 1 . . 12030 . . 333 LYS N . 27287 1 575 . 1 1 184 184 GLU H H 1 7.3816 0.0000 . 1 . . 10840 . . 334 GLU H . 27287 1 576 . 1 1 184 184 GLU CA C 13 58.9012 0.0000 . 1 . . 10580 . . 334 GLU CA . 27287 1 577 . 1 1 184 184 GLU CB C 13 29.7585 0.0000 . 1 . . 10697 . . 334 GLU CB . 27287 1 578 . 1 1 184 184 GLU N N 15 117.3271 0.0000 . 1 . . 10842 . . 334 GLU N . 27287 1 579 . 1 1 185 185 HIS H H 1 7.9504 0.0000 . 1 . . 11983 . . 335 HIS H . 27287 1 580 . 1 1 185 185 HIS CA C 13 59.9759 0.0000 . 1 . . 9116 . . 335 HIS CA . 27287 1 581 . 1 1 185 185 HIS CB C 13 28.4570 0.0000 . 1 . . 11984 . . 335 HIS CB . 27287 1 582 . 1 1 185 185 HIS N N 15 119.9638 0.0000 . 1 . . 11985 . . 335 HIS N . 27287 1 583 . 1 1 186 186 LEU H H 1 8.5961 0.0000 . 1 . . 12794 . . 336 LEU H . 27287 1 584 . 1 1 186 186 LEU CA C 13 58.1100 0.0000 . 1 . . 10094 . . 336 LEU CA . 27287 1 585 . 1 1 186 186 LEU CB C 13 41.9252 0.0000 . 1 . . 10991 . . 336 LEU CB . 27287 1 586 . 1 1 186 186 LEU N N 15 117.5132 0.0000 . 1 . . 12795 . . 336 LEU N . 27287 1 587 . 1 1 187 187 ARG H H 1 6.6272 0.0000 . 1 . . 12890 . . 337 ARG H . 27287 1 588 . 1 1 187 187 ARG CA C 13 58.1430 0.0000 . 1 . . 10058 . . 337 ARG CA . 27287 1 589 . 1 1 187 187 ARG CB C 13 29.7507 0.0000 . 1 . . 19399 . . 337 ARG CB . 27287 1 590 . 1 1 187 187 ARG N N 15 114.1551 0.0000 . 1 . . 12891 . . 337 ARG N . 27287 1 591 . 1 1 188 188 LYS H H 1 7.3528 0.0000 . 1 . . 12844 . . 338 LYS H . 27287 1 592 . 1 1 188 188 LYS CA C 13 57.9656 0.0000 . 1 . . 9263 . . 338 LYS CA . 27287 1 593 . 1 1 188 188 LYS CB C 13 31.2654 0.0000 . 1 . . 10943 . . 338 LYS CB . 27287 1 594 . 1 1 188 188 LYS N N 15 116.5776 0.0000 . 1 . . 12845 . . 338 LYS N . 27287 1 595 . 1 1 189 189 HIS H H 1 7.4116 0.0000 . 1 . . 12280 . . 339 HIS H . 27287 1 596 . 1 1 189 189 HIS CA C 13 55.6076 0.0000 . 1 . . 10640 . . 339 HIS CA . 27287 1 597 . 1 1 189 189 HIS CB C 13 28.6370 0.0000 . 1 . . 12344 . . 339 HIS CB . 27287 1 598 . 1 1 189 189 HIS N N 15 114.9615 0.0000 . 1 . . 12282 . . 339 HIS N . 27287 1 599 . 1 1 190 190 TRP H H 1 7.3527 0.0000 . 1 . . 9061 . . 340 TRP H . 27287 1 600 . 1 1 190 190 TRP CA C 13 55.9569 0.0000 . 1 . . 12392 . . 340 TRP CA . 27287 1 601 . 1 1 190 190 TRP CB C 13 29.5978 0.0000 . 1 . . 11006 . . 340 TRP CB . 27287 1 602 . 1 1 190 190 TRP N N 15 120.2417 0.0000 . 1 . . 9063 . . 340 TRP N . 27287 1 603 . 1 1 191 191 THR H H 1 8.0727 0.0000 . 1 . . 12433 . . 341 THR H . 27287 1 604 . 1 1 191 191 THR CA C 13 61.8558 0.0000 . 1 . . 10205 . . 341 THR CA . 27287 1 605 . 1 1 191 191 THR CB C 13 70.0213 0.0000 . 1 . . 10175 . . 341 THR CB . 27287 1 606 . 1 1 191 191 THR N N 15 114.3287 0.0000 . 1 . . 12435 . . 341 THR N . 27287 1 607 . 1 1 192 192 GLN H H 1 8.0035 0.0000 . 1 . . 11263 . . 342 GLN H . 27287 1 608 . 1 1 192 192 GLN CA C 13 57.6911 0.0000 . 1 . . 11168 . . 342 GLN CA . 27287 1 609 . 1 1 192 192 GLN CB C 13 30.4224 0.0000 . 1 . . 11255 . . 342 GLN CB . 27287 1 610 . 1 1 192 192 GLN N N 15 127.5105 0.0000 . 1 . . 11265 . . 342 GLN N . 27287 1 stop_ save_