data_27998 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27998 _Entry.Title ; Structural basis for client recognition and activity of Hsp40 chaperones ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-16 _Entry.Accession_date 2019-08-16 _Entry.Last_release_date 2019-08-19 _Entry.Original_release_date 2019-08-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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 Yajun Jiang . . . . 27998 2 Paolo Rossi . . . . 27998 3 Charalampos Kalodimos . G. . . 27998 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'St Jude Children Research Hospital' . 27998 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27998 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 148 27998 '1H chemical shifts' 148 27998 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 . . 2019-11-07 . original BMRB . 27998 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27999 'Sis1 SBD' 27998 BMRB 28000 'Ydj1 SBD' 27998 BMRB 28001 'CbpA SBD' 27998 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27998 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31604242 _Citation.Full_citation . _Citation.Title ; Structural basis for client recognition and activity of Hsp40 chaperones ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 365 _Citation.Journal_issue 6459 _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 1313 _Citation.Page_last 1319 _Citation.Year 2019 _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 Yajun Jiang . . . . 27998 1 2 Paolo Rossi . . . . 27998 1 3 Charalampos Kalodimos . G. . . 27998 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27998 _Assembly.ID 1 _Assembly.Name DnaJB1_SBD _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 DnaJB1_SBD 1 $DnaJB1_SBD A . yes native no no . . . 27998 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaJB1_SBD _Entity.Sf_category entity _Entity.Sf_framecode DnaJB1_SBD _Entity.Entry_ID 27998 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DnaJB1_SBD _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 ; ARKKQDPPVTHDLRVSLEEI YSGCTKKMKISHKRLNPDGK SIRNEDKILTIEVKKGWKEG TKITFPKEGDQTSNNIPADI VFVLKDKPHNIFKRDGSDVI YPARISLREALCGCTVNVPT LDGRTIPVVFKDVIRPGMRR KVPGEGLPLPKTPEKRGDLI IEFEVIFPERIPQTSRTVLE QVLPI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 156 _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 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID chaperone 27998 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 156 ALA . 27998 1 2 157 ARG . 27998 1 3 158 LYS . 27998 1 4 159 LYS . 27998 1 5 160 GLN . 27998 1 6 161 ASP . 27998 1 7 162 PRO . 27998 1 8 163 PRO . 27998 1 9 164 VAL . 27998 1 10 165 THR . 27998 1 11 166 HIS . 27998 1 12 167 ASP . 27998 1 13 168 LEU . 27998 1 14 169 ARG . 27998 1 15 170 VAL . 27998 1 16 171 SER . 27998 1 17 172 LEU . 27998 1 18 173 GLU . 27998 1 19 174 GLU . 27998 1 20 175 ILE . 27998 1 21 176 TYR . 27998 1 22 177 SER . 27998 1 23 178 GLY . 27998 1 24 179 CYS . 27998 1 25 180 THR . 27998 1 26 181 LYS . 27998 1 27 182 LYS . 27998 1 28 183 MET . 27998 1 29 184 LYS . 27998 1 30 185 ILE . 27998 1 31 186 SER . 27998 1 32 187 HIS . 27998 1 33 188 LYS . 27998 1 34 189 ARG . 27998 1 35 190 LEU . 27998 1 36 191 ASN . 27998 1 37 192 PRO . 27998 1 38 193 ASP . 27998 1 39 194 GLY . 27998 1 40 195 LYS . 27998 1 41 196 SER . 27998 1 42 197 ILE . 27998 1 43 198 ARG . 27998 1 44 199 ASN . 27998 1 45 200 GLU . 27998 1 46 201 ASP . 27998 1 47 202 LYS . 27998 1 48 203 ILE . 27998 1 49 204 LEU . 27998 1 50 205 THR . 27998 1 51 206 ILE . 27998 1 52 207 GLU . 27998 1 53 208 VAL . 27998 1 54 209 LYS . 27998 1 55 210 LYS . 27998 1 56 211 GLY . 27998 1 57 212 TRP . 27998 1 58 213 LYS . 27998 1 59 214 GLU . 27998 1 60 215 GLY . 27998 1 61 216 THR . 27998 1 62 217 LYS . 27998 1 63 218 ILE . 27998 1 64 219 THR . 27998 1 65 220 PHE . 27998 1 66 221 PRO . 27998 1 67 222 LYS . 27998 1 68 223 GLU . 27998 1 69 224 GLY . 27998 1 70 225 ASP . 27998 1 71 226 GLN . 27998 1 72 227 THR . 27998 1 73 228 SER . 27998 1 74 229 ASN . 27998 1 75 230 ASN . 27998 1 76 231 ILE . 27998 1 77 232 PRO . 27998 1 78 233 ALA . 27998 1 79 234 ASP . 27998 1 80 235 ILE . 27998 1 81 236 VAL . 27998 1 82 237 PHE . 27998 1 83 238 VAL . 27998 1 84 239 LEU . 27998 1 85 240 LYS . 27998 1 86 241 ASP . 27998 1 87 242 LYS . 27998 1 88 243 PRO . 27998 1 89 244 HIS . 27998 1 90 245 ASN . 27998 1 91 246 ILE . 27998 1 92 247 PHE . 27998 1 93 248 LYS . 27998 1 94 249 ARG . 27998 1 95 250 ASP . 27998 1 96 251 GLY . 27998 1 97 252 SER . 27998 1 98 253 ASP . 27998 1 99 254 VAL . 27998 1 100 255 ILE . 27998 1 101 256 TYR . 27998 1 102 257 PRO . 27998 1 103 258 ALA . 27998 1 104 259 ARG . 27998 1 105 260 ILE . 27998 1 106 261 SER . 27998 1 107 262 LEU . 27998 1 108 263 ARG . 27998 1 109 264 GLU . 27998 1 110 265 ALA . 27998 1 111 266 LEU . 27998 1 112 267 CYS . 27998 1 113 268 GLY . 27998 1 114 269 CYS . 27998 1 115 270 THR . 27998 1 116 271 VAL . 27998 1 117 272 ASN . 27998 1 118 273 VAL . 27998 1 119 274 PRO . 27998 1 120 275 THR . 27998 1 121 276 LEU . 27998 1 122 277 ASP . 27998 1 123 278 GLY . 27998 1 124 279 ARG . 27998 1 125 280 THR . 27998 1 126 281 ILE . 27998 1 127 282 PRO . 27998 1 128 283 VAL . 27998 1 129 284 VAL . 27998 1 130 285 PHE . 27998 1 131 286 LYS . 27998 1 132 287 ASP . 27998 1 133 288 VAL . 27998 1 134 289 ILE . 27998 1 135 290 ARG . 27998 1 136 291 PRO . 27998 1 137 292 GLY . 27998 1 138 293 MET . 27998 1 139 294 ARG . 27998 1 140 295 ARG . 27998 1 141 296 LYS . 27998 1 142 297 VAL . 27998 1 143 298 PRO . 27998 1 144 299 GLY . 27998 1 145 300 GLU . 27998 1 146 301 GLY . 27998 1 147 302 LEU . 27998 1 148 303 PRO . 27998 1 149 304 LEU . 27998 1 150 305 PRO . 27998 1 151 306 LYS . 27998 1 152 307 THR . 27998 1 153 308 PRO . 27998 1 154 309 GLU . 27998 1 155 310 LYS . 27998 1 156 311 ARG . 27998 1 157 312 GLY . 27998 1 158 313 ASP . 27998 1 159 314 LEU . 27998 1 160 315 ILE . 27998 1 161 316 ILE . 27998 1 162 317 GLU . 27998 1 163 318 PHE . 27998 1 164 319 GLU . 27998 1 165 320 VAL . 27998 1 166 321 ILE . 27998 1 167 322 PHE . 27998 1 168 323 PRO . 27998 1 169 324 GLU . 27998 1 170 325 ARG . 27998 1 171 326 ILE . 27998 1 172 327 PRO . 27998 1 173 328 GLN . 27998 1 174 329 THR . 27998 1 175 330 SER . 27998 1 176 331 ARG . 27998 1 177 332 THR . 27998 1 178 333 VAL . 27998 1 179 334 LEU . 27998 1 180 335 GLU . 27998 1 181 336 GLN . 27998 1 182 337 VAL . 27998 1 183 338 LEU . 27998 1 184 339 PRO . 27998 1 185 340 ILE . 27998 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 . ALA 1 1 27998 1 . ARG 2 2 27998 1 . LYS 3 3 27998 1 . LYS 4 4 27998 1 . GLN 5 5 27998 1 . ASP 6 6 27998 1 . PRO 7 7 27998 1 . PRO 8 8 27998 1 . VAL 9 9 27998 1 . THR 10 10 27998 1 . HIS 11 11 27998 1 . ASP 12 12 27998 1 . LEU 13 13 27998 1 . ARG 14 14 27998 1 . VAL 15 15 27998 1 . SER 16 16 27998 1 . LEU 17 17 27998 1 . GLU 18 18 27998 1 . GLU 19 19 27998 1 . ILE 20 20 27998 1 . TYR 21 21 27998 1 . SER 22 22 27998 1 . GLY 23 23 27998 1 . CYS 24 24 27998 1 . THR 25 25 27998 1 . LYS 26 26 27998 1 . LYS 27 27 27998 1 . MET 28 28 27998 1 . LYS 29 29 27998 1 . ILE 30 30 27998 1 . SER 31 31 27998 1 . HIS 32 32 27998 1 . LYS 33 33 27998 1 . ARG 34 34 27998 1 . LEU 35 35 27998 1 . ASN 36 36 27998 1 . PRO 37 37 27998 1 . ASP 38 38 27998 1 . GLY 39 39 27998 1 . LYS 40 40 27998 1 . SER 41 41 27998 1 . ILE 42 42 27998 1 . ARG 43 43 27998 1 . ASN 44 44 27998 1 . GLU 45 45 27998 1 . ASP 46 46 27998 1 . LYS 47 47 27998 1 . ILE 48 48 27998 1 . LEU 49 49 27998 1 . THR 50 50 27998 1 . ILE 51 51 27998 1 . GLU 52 52 27998 1 . VAL 53 53 27998 1 . LYS 54 54 27998 1 . LYS 55 55 27998 1 . GLY 56 56 27998 1 . TRP 57 57 27998 1 . LYS 58 58 27998 1 . GLU 59 59 27998 1 . GLY 60 60 27998 1 . THR 61 61 27998 1 . LYS 62 62 27998 1 . ILE 63 63 27998 1 . THR 64 64 27998 1 . PHE 65 65 27998 1 . PRO 66 66 27998 1 . LYS 67 67 27998 1 . GLU 68 68 27998 1 . GLY 69 69 27998 1 . ASP 70 70 27998 1 . GLN 71 71 27998 1 . THR 72 72 27998 1 . SER 73 73 27998 1 . ASN 74 74 27998 1 . ASN 75 75 27998 1 . ILE 76 76 27998 1 . PRO 77 77 27998 1 . ALA 78 78 27998 1 . ASP 79 79 27998 1 . ILE 80 80 27998 1 . VAL 81 81 27998 1 . PHE 82 82 27998 1 . VAL 83 83 27998 1 . LEU 84 84 27998 1 . LYS 85 85 27998 1 . ASP 86 86 27998 1 . LYS 87 87 27998 1 . PRO 88 88 27998 1 . HIS 89 89 27998 1 . ASN 90 90 27998 1 . ILE 91 91 27998 1 . PHE 92 92 27998 1 . LYS 93 93 27998 1 . ARG 94 94 27998 1 . ASP 95 95 27998 1 . GLY 96 96 27998 1 . SER 97 97 27998 1 . ASP 98 98 27998 1 . VAL 99 99 27998 1 . ILE 100 100 27998 1 . TYR 101 101 27998 1 . PRO 102 102 27998 1 . ALA 103 103 27998 1 . ARG 104 104 27998 1 . ILE 105 105 27998 1 . SER 106 106 27998 1 . LEU 107 107 27998 1 . ARG 108 108 27998 1 . GLU 109 109 27998 1 . ALA 110 110 27998 1 . LEU 111 111 27998 1 . CYS 112 112 27998 1 . GLY 113 113 27998 1 . CYS 114 114 27998 1 . THR 115 115 27998 1 . VAL 116 116 27998 1 . ASN 117 117 27998 1 . VAL 118 118 27998 1 . PRO 119 119 27998 1 . THR 120 120 27998 1 . LEU 121 121 27998 1 . ASP 122 122 27998 1 . GLY 123 123 27998 1 . ARG 124 124 27998 1 . THR 125 125 27998 1 . ILE 126 126 27998 1 . PRO 127 127 27998 1 . VAL 128 128 27998 1 . VAL 129 129 27998 1 . PHE 130 130 27998 1 . LYS 131 131 27998 1 . ASP 132 132 27998 1 . VAL 133 133 27998 1 . ILE 134 134 27998 1 . ARG 135 135 27998 1 . PRO 136 136 27998 1 . GLY 137 137 27998 1 . MET 138 138 27998 1 . ARG 139 139 27998 1 . ARG 140 140 27998 1 . LYS 141 141 27998 1 . VAL 142 142 27998 1 . PRO 143 143 27998 1 . GLY 144 144 27998 1 . GLU 145 145 27998 1 . GLY 146 146 27998 1 . LEU 147 147 27998 1 . PRO 148 148 27998 1 . LEU 149 149 27998 1 . PRO 150 150 27998 1 . LYS 151 151 27998 1 . THR 152 152 27998 1 . PRO 153 153 27998 1 . GLU 154 154 27998 1 . LYS 155 155 27998 1 . ARG 156 156 27998 1 . GLY 157 157 27998 1 . ASP 158 158 27998 1 . LEU 159 159 27998 1 . ILE 160 160 27998 1 . ILE 161 161 27998 1 . GLU 162 162 27998 1 . PHE 163 163 27998 1 . GLU 164 164 27998 1 . VAL 165 165 27998 1 . ILE 166 166 27998 1 . PHE 167 167 27998 1 . PRO 168 168 27998 1 . GLU 169 169 27998 1 . ARG 170 170 27998 1 . ILE 171 171 27998 1 . PRO 172 172 27998 1 . GLN 173 173 27998 1 . THR 174 174 27998 1 . SER 175 175 27998 1 . ARG 176 176 27998 1 . THR 177 177 27998 1 . VAL 178 178 27998 1 . LEU 179 179 27998 1 . GLU 180 180 27998 1 . GLN 181 181 27998 1 . VAL 182 182 27998 1 . LEU 183 183 27998 1 . PRO 184 184 27998 1 . ILE 185 185 27998 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 27998 _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 $DnaJB1_SBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27998 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 27998 _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 $DnaJB1_SBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet16b . . . 27998 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27998 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DnaJB1_SBD '[U-13C; U-15N; U-2H]' . . 1 $DnaJB1_SBD . . 400 . . uM . . . . 27998 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27998 1 3 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 27998 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 27998 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.1 . M 27998 1 pH 7 . pH 27998 1 pressure 1 . atm 27998 1 temperature 305 . K 27998 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27998 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27998 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27998 1 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27998 _Software.ID 2 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27998 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27998 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 27998 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27998 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27998 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 27998 _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 . . . . . . . . . . . . . . . . 27998 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27998 1 3 '3D HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27998 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27998 1 5 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27998 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27998 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 27998 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27998 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27998 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27998 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 27998 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 27998 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27998 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 LYS H H 1 8.143 0.00 . . . . . . . 158 LYS H . 27998 1 2 . 1 1 3 3 LYS N N 15 123.358 0.00 . . . . . . . 158 LYS N . 27998 1 3 . 1 1 4 4 LYS H H 1 8.211 0.00 . . . . . . . 159 LYS H . 27998 1 4 . 1 1 4 4 LYS N N 15 122.943 0.00 . . . . . . . 159 LYS N . 27998 1 5 . 1 1 5 5 GLN H H 1 8.475 0.00 . . . . . . . 160 GLN H . 27998 1 6 . 1 1 5 5 GLN N N 15 124.432 0.00 . . . . . . . 160 GLN N . 27998 1 7 . 1 1 6 6 ASP H H 1 7.887 0.00 . . . . . . . 161 ASP H . 27998 1 8 . 1 1 6 6 ASP N N 15 129.276 0.00 . . . . . . . 161 ASP N . 27998 1 9 . 1 1 9 9 VAL H H 1 8.328 0.00 . . . . . . . 164 VAL H . 27998 1 10 . 1 1 9 9 VAL N N 15 124.989 0.00 . . . . . . . 164 VAL N . 27998 1 11 . 1 1 10 10 THR H H 1 7.877 0.00 . . . . . . . 165 THR H . 27998 1 12 . 1 1 10 10 THR N N 15 120.521 0.00 . . . . . . . 165 THR N . 27998 1 13 . 1 1 11 11 HIS H H 1 8.845 0.00 . . . . . . . 166 HIS H . 27998 1 14 . 1 1 11 11 HIS N N 15 124.700 0.00 . . . . . . . 166 HIS N . 27998 1 15 . 1 1 12 12 ASP H H 1 8.737 0.00 . . . . . . . 167 ASP H . 27998 1 16 . 1 1 12 12 ASP N N 15 123.277 0.00 . . . . . . . 167 ASP N . 27998 1 17 . 1 1 13 13 LEU H H 1 8.919 0.00 . . . . . . . 168 LEU H . 27998 1 18 . 1 1 13 13 LEU N N 15 126.421 0.00 . . . . . . . 168 LEU N . 27998 1 19 . 1 1 14 14 ARG H H 1 8.688 0.00 . . . . . . . 169 ARG H . 27998 1 20 . 1 1 14 14 ARG N N 15 126.773 0.00 . . . . . . . 169 ARG N . 27998 1 21 . 1 1 15 15 VAL H H 1 8.734 0.00 . . . . . . . 170 VAL H . 27998 1 22 . 1 1 15 15 VAL N N 15 120.349 0.00 . . . . . . . 170 VAL N . 27998 1 23 . 1 1 16 16 SER H H 1 9.502 0.00 . . . . . . . 171 SER H . 27998 1 24 . 1 1 16 16 SER N N 15 124.052 0.00 . . . . . . . 171 SER N . 27998 1 25 . 1 1 17 17 LEU H H 1 9.320 0.00 . . . . . . . 172 LEU H . 27998 1 26 . 1 1 17 17 LEU N N 15 123.374 0.00 . . . . . . . 172 LEU N . 27998 1 27 . 1 1 21 21 TYR H H 1 8.242 0.00 . . . . . . . 176 TYR H . 27998 1 28 . 1 1 21 21 TYR N N 15 121.546 0.00 . . . . . . . 176 TYR N . 27998 1 29 . 1 1 22 22 SER H H 1 7.651 0.00 . . . . . . . 177 SER H . 27998 1 30 . 1 1 22 22 SER N N 15 108.590 0.00 . . . . . . . 177 SER N . 27998 1 31 . 1 1 23 23 GLY H H 1 7.771 0.00 . . . . . . . 178 GLY H . 27998 1 32 . 1 1 23 23 GLY N N 15 113.388 0.00 . . . . . . . 178 GLY N . 27998 1 33 . 1 1 24 24 CYS H H 1 8.433 0.00 . . . . . . . 179 CYS H . 27998 1 34 . 1 1 24 24 CYS N N 15 112.854 0.00 . . . . . . . 179 CYS N . 27998 1 35 . 1 1 25 25 THR H H 1 7.842 0.58 . . . . . . . 180 THR H . 27998 1 36 . 1 1 25 25 THR N N 15 121.678 5.07 . . . . . . . 180 THR N . 27998 1 37 . 1 1 26 26 LYS H H 1 9.136 0.00 . . . . . . . 181 LYS H . 27998 1 38 . 1 1 26 26 LYS N N 15 126.565 0.00 . . . . . . . 181 LYS N . 27998 1 39 . 1 1 27 27 LYS H H 1 8.328 0.00 . . . . . . . 182 LYS H . 27998 1 40 . 1 1 27 27 LYS N N 15 122.620 0.00 . . . . . . . 182 LYS N . 27998 1 41 . 1 1 28 28 MET H H 1 8.634 0.00 . . . . . . . 183 MET H . 27998 1 42 . 1 1 28 28 MET N N 15 123.214 0.00 . . . . . . . 183 MET N . 27998 1 43 . 1 1 29 29 LYS H H 1 8.439 0.00 . . . . . . . 184 LYS H . 27998 1 44 . 1 1 29 29 LYS N N 15 126.480 0.00 . . . . . . . 184 LYS N . 27998 1 45 . 1 1 30 30 ILE H H 1 8.922 0.00 . . . . . . . 185 ILE H . 27998 1 46 . 1 1 30 30 ILE N N 15 123.414 0.00 . . . . . . . 185 ILE N . 27998 1 47 . 1 1 31 31 SER H H 1 8.181 0.00 . . . . . . . 186 SER H . 27998 1 48 . 1 1 31 31 SER N N 15 117.323 0.00 . . . . . . . 186 SER N . 27998 1 49 . 1 1 32 32 HIS H H 1 9.001 0.00 . . . . . . . 187 HIS H . 27998 1 50 . 1 1 32 32 HIS N N 15 121.588 0.00 . . . . . . . 187 HIS N . 27998 1 51 . 1 1 33 33 LYS H H 1 8.770 0.00 . . . . . . . 188 LYS H . 27998 1 52 . 1 1 33 33 LYS N N 15 123.627 0.00 . . . . . . . 188 LYS N . 27998 1 53 . 1 1 34 34 ARG H H 1 9.003 0.00 . . . . . . . 189 ARG H . 27998 1 54 . 1 1 34 34 ARG N N 15 123.484 0.00 . . . . . . . 189 ARG N . 27998 1 55 . 1 1 35 35 LEU H H 1 8.037 0.00 . . . . . . . 190 LEU H . 27998 1 56 . 1 1 35 35 LEU N N 15 123.003 0.00 . . . . . . . 190 LEU N . 27998 1 57 . 1 1 36 36 ASN H H 1 8.613 0.00 . . . . . . . 191 ASN H . 27998 1 58 . 1 1 36 36 ASN N N 15 124.208 0.00 . . . . . . . 191 ASN N . 27998 1 59 . 1 1 38 38 ASP H H 1 7.540 0.00 . . . . . . . 193 ASP H . 27998 1 60 . 1 1 38 38 ASP N N 15 114.406 0.00 . . . . . . . 193 ASP N . 27998 1 61 . 1 1 39 39 GLY H H 1 8.360 0.00 . . . . . . . 194 GLY H . 27998 1 62 . 1 1 39 39 GLY N N 15 108.989 0.00 . . . . . . . 194 GLY N . 27998 1 63 . 1 1 40 40 LYS H H 1 8.538 0.00 . . . . . . . 195 LYS H . 27998 1 64 . 1 1 40 40 LYS N N 15 119.452 0.00 . . . . . . . 195 LYS N . 27998 1 65 . 1 1 41 41 SER H H 1 8.906 0.00 . . . . . . . 196 SER H . 27998 1 66 . 1 1 41 41 SER N N 15 117.512 0.00 . . . . . . . 196 SER N . 27998 1 67 . 1 1 42 42 ILE H H 1 8.214 0.00 . . . . . . . 197 ILE H . 27998 1 68 . 1 1 42 42 ILE N N 15 119.353 0.00 . . . . . . . 197 ILE N . 27998 1 69 . 1 1 43 43 ARG H H 1 8.963 0.00 . . . . . . . 198 ARG H . 27998 1 70 . 1 1 43 43 ARG N N 15 124.384 0.00 . . . . . . . 198 ARG N . 27998 1 71 . 1 1 44 44 ASN H H 1 8.594 0.00 . . . . . . . 199 ASN H . 27998 1 72 . 1 1 44 44 ASN N N 15 121.267 0.00 . . . . . . . 199 ASN N . 27998 1 73 . 1 1 45 45 GLU H H 1 8.770 0.00 . . . . . . . 200 GLU H . 27998 1 74 . 1 1 45 45 GLU N N 15 124.468 0.00 . . . . . . . 200 GLU N . 27998 1 75 . 1 1 46 46 ASP H H 1 8.413 0.00 . . . . . . . 201 ASP H . 27998 1 76 . 1 1 46 46 ASP N N 15 123.953 0.00 . . . . . . . 201 ASP N . 27998 1 77 . 1 1 47 47 LYS H H 1 8.843 0.00 . . . . . . . 202 LYS H . 27998 1 78 . 1 1 47 47 LYS N N 15 123.215 0.00 . . . . . . . 202 LYS N . 27998 1 79 . 1 1 48 48 ILE H H 1 8.310 0.00 . . . . . . . 203 ILE H . 27998 1 80 . 1 1 48 48 ILE N N 15 124.443 0.00 . . . . . . . 203 ILE N . 27998 1 81 . 1 1 49 49 LEU H H 1 8.876 0.00 . . . . . . . 204 LEU H . 27998 1 82 . 1 1 49 49 LEU N N 15 130.165 0.00 . . . . . . . 204 LEU N . 27998 1 83 . 1 1 50 50 THR H H 1 8.336 0.00 . . . . . . . 205 THR H . 27998 1 84 . 1 1 50 50 THR N N 15 119.369 0.00 . . . . . . . 205 THR N . 27998 1 85 . 1 1 51 51 ILE H H 1 9.080 0.00 . . . . . . . 206 ILE H . 27998 1 86 . 1 1 51 51 ILE N N 15 128.254 0.00 . . . . . . . 206 ILE N . 27998 1 87 . 1 1 52 52 GLU H H 1 8.512 0.00 . . . . . . . 207 GLU H . 27998 1 88 . 1 1 52 52 GLU N N 15 128.693 0.00 . . . . . . . 207 GLU N . 27998 1 89 . 1 1 53 53 VAL H H 1 8.645 0.00 . . . . . . . 208 VAL H . 27998 1 90 . 1 1 53 53 VAL N N 15 127.381 0.00 . . . . . . . 208 VAL N . 27998 1 91 . 1 1 55 55 LYS H H 1 7.629 0.00 . . . . . . . 210 LYS H . 27998 1 92 . 1 1 55 55 LYS N N 15 116.683 0.00 . . . . . . . 210 LYS N . 27998 1 93 . 1 1 56 56 GLY H H 1 8.688 0.00 . . . . . . . 211 GLY H . 27998 1 94 . 1 1 56 56 GLY N N 15 106.096 0.00 . . . . . . . 211 GLY N . 27998 1 95 . 1 1 57 57 TRP H H 1 7.450 0.00 . . . . . . . 212 TRP H . 27998 1 96 . 1 1 57 57 TRP N N 15 121.858 0.00 . . . . . . . 212 TRP N . 27998 1 97 . 1 1 60 60 GLY H H 1 9.310 0.00 . . . . . . . 215 GLY H . 27998 1 98 . 1 1 60 60 GLY N N 15 115.411 0.00 . . . . . . . 215 GLY N . 27998 1 99 . 1 1 61 61 THR H H 1 7.504 0.00 . . . . . . . 216 THR H . 27998 1 100 . 1 1 61 61 THR N N 15 119.563 0.00 . . . . . . . 216 THR N . 27998 1 101 . 1 1 62 62 LYS H H 1 8.214 0.00 . . . . . . . 217 LYS H . 27998 1 102 . 1 1 62 62 LYS N N 15 126.367 0.00 . . . . . . . 217 LYS N . 27998 1 103 . 1 1 63 63 ILE H H 1 9.353 0.00 . . . . . . . 218 ILE H . 27998 1 104 . 1 1 63 63 ILE N N 15 126.602 0.00 . . . . . . . 218 ILE N . 27998 1 105 . 1 1 64 64 THR H H 1 8.390 0.00 . . . . . . . 219 THR H . 27998 1 106 . 1 1 64 64 THR N N 15 123.446 0.00 . . . . . . . 219 THR N . 27998 1 107 . 1 1 65 65 PHE H H 1 9.817 0.00 . . . . . . . 220 PHE H . 27998 1 108 . 1 1 65 65 PHE N N 15 128.618 0.00 . . . . . . . 220 PHE N . 27998 1 109 . 1 1 67 67 LYS H H 1 9.432 0.00 . . . . . . . 222 LYS H . 27998 1 110 . 1 1 67 67 LYS N N 15 117.615 0.00 . . . . . . . 222 LYS N . 27998 1 111 . 1 1 68 68 GLU H H 1 6.763 0.00 . . . . . . . 223 GLU H . 27998 1 112 . 1 1 68 68 GLU N N 15 116.575 0.00 . . . . . . . 223 GLU N . 27998 1 113 . 1 1 69 69 GLY H H 1 9.237 0.00 . . . . . . . 224 GLY H . 27998 1 114 . 1 1 69 69 GLY N N 15 109.417 0.00 . . . . . . . 224 GLY N . 27998 1 115 . 1 1 70 70 ASP H H 1 8.801 0.00 . . . . . . . 225 ASP H . 27998 1 116 . 1 1 70 70 ASP N N 15 119.185 0.00 . . . . . . . 225 ASP N . 27998 1 117 . 1 1 71 71 GLN H H 1 8.381 0.00 . . . . . . . 226 GLN H . 27998 1 118 . 1 1 71 71 GLN N N 15 124.039 0.00 . . . . . . . 226 GLN N . 27998 1 119 . 1 1 72 72 THR H H 1 8.123 0.00 . . . . . . . 227 THR H . 27998 1 120 . 1 1 72 72 THR N N 15 113.195 0.00 . . . . . . . 227 THR N . 27998 1 121 . 1 1 75 75 ASN H H 1 7.633 0.00 . . . . . . . 230 ASN H . 27998 1 122 . 1 1 75 75 ASN N N 15 119.133 0.00 . . . . . . . 230 ASN N . 27998 1 123 . 1 1 76 76 ILE H H 1 8.138 0.00 . . . . . . . 231 ILE H . 27998 1 124 . 1 1 76 76 ILE N N 15 122.138 0.00 . . . . . . . 231 ILE N . 27998 1 125 . 1 1 78 78 ALA H H 1 8.723 0.00 . . . . . . . 233 ALA H . 27998 1 126 . 1 1 78 78 ALA N N 15 123.167 0.00 . . . . . . . 233 ALA N . 27998 1 127 . 1 1 79 79 ASP H H 1 8.950 0.00 . . . . . . . 234 ASP H . 27998 1 128 . 1 1 79 79 ASP N N 15 120.946 0.00 . . . . . . . 234 ASP N . 27998 1 129 . 1 1 80 80 ILE H H 1 7.997 0.00 . . . . . . . 235 ILE H . 27998 1 130 . 1 1 80 80 ILE N N 15 120.751 0.00 . . . . . . . 235 ILE N . 27998 1 131 . 1 1 81 81 VAL H H 1 8.903 0.00 . . . . . . . 236 VAL H . 27998 1 132 . 1 1 81 81 VAL N N 15 129.374 0.00 . . . . . . . 236 VAL N . 27998 1 133 . 1 1 82 82 PHE H H 1 9.363 0.00 . . . . . . . 237 PHE H . 27998 1 134 . 1 1 82 82 PHE N N 15 125.227 0.00 . . . . . . . 237 PHE N . 27998 1 135 . 1 1 83 83 VAL H H 1 8.694 0.00 . . . . . . . 238 VAL H . 27998 1 136 . 1 1 83 83 VAL N N 15 122.235 0.00 . . . . . . . 238 VAL N . 27998 1 137 . 1 1 84 84 LEU H H 1 8.709 0.00 . . . . . . . 239 LEU H . 27998 1 138 . 1 1 84 84 LEU N N 15 129.654 0.00 . . . . . . . 239 LEU N . 27998 1 139 . 1 1 85 85 LYS H H 1 8.779 0.00 . . . . . . . 240 LYS H . 27998 1 140 . 1 1 85 85 LYS N N 15 125.816 0.00 . . . . . . . 240 LYS N . 27998 1 141 . 1 1 86 86 ASP H H 1 9.391 0.00 . . . . . . . 241 ASP H . 27998 1 142 . 1 1 86 86 ASP N N 15 123.814 0.00 . . . . . . . 241 ASP N . 27998 1 143 . 1 1 87 87 LYS H H 1 8.352 0.00 . . . . . . . 242 LYS H . 27998 1 144 . 1 1 87 87 LYS N N 15 126.443 0.00 . . . . . . . 242 LYS N . 27998 1 145 . 1 1 93 93 LYS H H 1 8.864 0.00 . . . . . . . 248 LYS H . 27998 1 146 . 1 1 93 93 LYS N N 15 118.545 0.00 . . . . . . . 248 LYS N . 27998 1 147 . 1 1 94 94 ARG H H 1 8.997 0.00 . . . . . . . 249 ARG H . 27998 1 148 . 1 1 94 94 ARG N N 15 125.758 0.00 . . . . . . . 249 ARG N . 27998 1 149 . 1 1 95 95 ASP H H 1 8.585 0.00 . . . . . . . 250 ASP H . 27998 1 150 . 1 1 95 95 ASP N N 15 127.809 0.00 . . . . . . . 250 ASP N . 27998 1 151 . 1 1 96 96 GLY H H 1 8.882 0.00 . . . . . . . 251 GLY H . 27998 1 152 . 1 1 96 96 GLY N N 15 114.514 0.00 . . . . . . . 251 GLY N . 27998 1 153 . 1 1 97 97 SER H H 1 9.202 0.00 . . . . . . . 252 SER H . 27998 1 154 . 1 1 97 97 SER N N 15 125.372 0.00 . . . . . . . 252 SER N . 27998 1 155 . 1 1 98 98 ASP H H 1 8.081 0.00 . . . . . . . 253 ASP H . 27998 1 156 . 1 1 98 98 ASP N N 15 123.207 0.00 . . . . . . . 253 ASP N . 27998 1 157 . 1 1 99 99 VAL H H 1 8.250 0.00 . . . . . . . 254 VAL H . 27998 1 158 . 1 1 99 99 VAL N N 15 113.870 0.00 . . . . . . . 254 VAL N . 27998 1 159 . 1 1 100 100 ILE H H 1 9.288 0.00 . . . . . . . 255 ILE H . 27998 1 160 . 1 1 100 100 ILE N N 15 125.515 0.00 . . . . . . . 255 ILE N . 27998 1 161 . 1 1 101 101 TYR H H 1 9.585 0.00 . . . . . . . 256 TYR H . 27998 1 162 . 1 1 101 101 TYR N N 15 129.171 0.00 . . . . . . . 256 TYR N . 27998 1 163 . 1 1 103 103 ALA H H 1 7.887 0.00 . . . . . . . 258 ALA H . 27998 1 164 . 1 1 103 103 ALA N N 15 129.276 0.00 . . . . . . . 258 ALA N . 27998 1 165 . 1 1 104 104 ARG H H 1 8.135 0.00 . . . . . . . 259 ARG H . 27998 1 166 . 1 1 104 104 ARG N N 15 124.012 0.00 . . . . . . . 259 ARG N . 27998 1 167 . 1 1 105 105 ILE H H 1 8.636 0.00 . . . . . . . 260 ILE H . 27998 1 168 . 1 1 105 105 ILE N N 15 119.637 0.00 . . . . . . . 260 ILE N . 27998 1 169 . 1 1 106 106 SER H H 1 8.856 0.00 . . . . . . . 261 SER H . 27998 1 170 . 1 1 106 106 SER N N 15 117.809 0.00 . . . . . . . 261 SER N . 27998 1 171 . 1 1 107 107 LEU H H 1 7.640 0.00 . . . . . . . 262 LEU H . 27998 1 172 . 1 1 107 107 LEU N N 15 121.256 0.00 . . . . . . . 262 LEU N . 27998 1 173 . 1 1 108 108 ARG H H 1 8.667 0.00 . . . . . . . 263 ARG H . 27998 1 174 . 1 1 108 108 ARG N N 15 118.754 0.00 . . . . . . . 263 ARG N . 27998 1 175 . 1 1 109 109 GLU H H 1 7.688 0.00 . . . . . . . 264 GLU H . 27998 1 176 . 1 1 109 109 GLU N N 15 119.600 0.00 . . . . . . . 264 GLU N . 27998 1 177 . 1 1 110 110 ALA H H 1 8.145 0.00 . . . . . . . 265 ALA H . 27998 1 178 . 1 1 110 110 ALA N N 15 120.548 0.00 . . . . . . . 265 ALA N . 27998 1 179 . 1 1 111 111 LEU H H 1 7.696 0.00 . . . . . . . 266 LEU H . 27998 1 180 . 1 1 111 111 LEU N N 15 111.702 0.00 . . . . . . . 266 LEU N . 27998 1 181 . 1 1 112 112 CYS H H 1 8.131 0.00 . . . . . . . 267 CYS H . 27998 1 182 . 1 1 112 112 CYS N N 15 113.303 0.00 . . . . . . . 267 CYS N . 27998 1 183 . 1 1 113 113 GLY H H 1 7.620 0.00 . . . . . . . 268 GLY H . 27998 1 184 . 1 1 113 113 GLY N N 15 114.058 0.00 . . . . . . . 268 GLY N . 27998 1 185 . 1 1 114 114 CYS H H 1 8.237 0.00 . . . . . . . 269 CYS H . 27998 1 186 . 1 1 114 114 CYS N N 15 114.948 0.00 . . . . . . . 269 CYS N . 27998 1 187 . 1 1 115 115 THR H H 1 8.451 0.00 . . . . . . . 270 THR H . 27998 1 188 . 1 1 115 115 THR N N 15 117.957 0.00 . . . . . . . 270 THR N . 27998 1 189 . 1 1 116 116 VAL H H 1 9.331 0.00 . . . . . . . 271 VAL H . 27998 1 190 . 1 1 116 116 VAL N N 15 128.567 0.00 . . . . . . . 271 VAL N . 27998 1 191 . 1 1 117 117 ASN H H 1 8.814 0.00 . . . . . . . 272 ASN H . 27998 1 192 . 1 1 117 117 ASN N N 15 127.732 0.00 . . . . . . . 272 ASN N . 27998 1 193 . 1 1 118 118 VAL H H 1 8.734 0.00 . . . . . . . 273 VAL H . 27998 1 194 . 1 1 118 118 VAL N N 15 129.165 0.00 . . . . . . . 273 VAL N . 27998 1 195 . 1 1 120 120 THR H H 1 7.530 0.00 . . . . . . . 275 THR H . 27998 1 196 . 1 1 120 120 THR N N 15 103.673 0.00 . . . . . . . 275 THR N . 27998 1 197 . 1 1 121 121 LEU H H 1 9.136 0.00 . . . . . . . 276 LEU H . 27998 1 198 . 1 1 121 121 LEU N N 15 121.805 0.00 . . . . . . . 276 LEU N . 27998 1 199 . 1 1 122 122 ASP H H 1 7.967 0.00 . . . . . . . 277 ASP H . 27998 1 200 . 1 1 122 122 ASP N N 15 113.026 0.00 . . . . . . . 277 ASP N . 27998 1 201 . 1 1 123 123 GLY H H 1 7.513 0.00 . . . . . . . 278 GLY H . 27998 1 202 . 1 1 123 123 GLY N N 15 107.553 0.00 . . . . . . . 278 GLY N . 27998 1 203 . 1 1 124 124 ARG H H 1 7.446 0.00 . . . . . . . 279 ARG H . 27998 1 204 . 1 1 124 124 ARG N N 15 119.960 0.00 . . . . . . . 279 ARG N . 27998 1 205 . 1 1 125 125 THR H H 1 7.890 0.00 . . . . . . . 280 THR H . 27998 1 206 . 1 1 125 125 THR N N 15 114.006 0.00 . . . . . . . 280 THR N . 27998 1 207 . 1 1 126 126 ILE H H 1 9.353 0.00 . . . . . . . 281 ILE H . 27998 1 208 . 1 1 126 126 ILE N N 15 126.602 0.00 . . . . . . . 281 ILE N . 27998 1 209 . 1 1 128 128 VAL H H 1 9.098 0.00 . . . . . . . 283 VAL H . 27998 1 210 . 1 1 128 128 VAL N N 15 128.907 0.00 . . . . . . . 283 VAL N . 27998 1 211 . 1 1 129 129 VAL H H 1 8.142 0.00 . . . . . . . 284 VAL H . 27998 1 212 . 1 1 129 129 VAL N N 15 127.984 0.00 . . . . . . . 284 VAL N . 27998 1 213 . 1 1 130 130 PHE H H 1 9.314 0.00 . . . . . . . 285 PHE H . 27998 1 214 . 1 1 130 130 PHE N N 15 127.363 0.00 . . . . . . . 285 PHE N . 27998 1 215 . 1 1 132 132 ASP H H 1 7.760 0.00 . . . . . . . 287 ASP H . 27998 1 216 . 1 1 132 132 ASP N N 15 120.365 0.00 . . . . . . . 287 ASP N . 27998 1 217 . 1 1 133 133 VAL H H 1 7.673 0.00 . . . . . . . 288 VAL H . 27998 1 218 . 1 1 133 133 VAL N N 15 119.241 0.00 . . . . . . . 288 VAL N . 27998 1 219 . 1 1 134 134 ILE H H 1 8.576 0.00 . . . . . . . 289 ILE H . 27998 1 220 . 1 1 134 134 ILE N N 15 131.695 0.00 . . . . . . . 289 ILE N . 27998 1 221 . 1 1 135 135 ARG H H 1 6.258 0.00 . . . . . . . 290 ARG H . 27998 1 222 . 1 1 135 135 ARG N N 15 120.738 0.00 . . . . . . . 290 ARG N . 27998 1 223 . 1 1 137 137 GLY H H 1 8.349 0.00 . . . . . . . 292 GLY H . 27998 1 224 . 1 1 137 137 GLY N N 15 114.051 0.00 . . . . . . . 292 GLY N . 27998 1 225 . 1 1 138 138 MET H H 1 7.872 0.00 . . . . . . . 293 MET H . 27998 1 226 . 1 1 138 138 MET N N 15 121.793 0.00 . . . . . . . 293 MET N . 27998 1 227 . 1 1 139 139 ARG H H 1 8.318 0.00 . . . . . . . 294 ARG H . 27998 1 228 . 1 1 139 139 ARG N N 15 122.946 0.00 . . . . . . . 294 ARG N . 27998 1 229 . 1 1 141 141 LYS H H 1 8.952 0.00 . . . . . . . 296 LYS H . 27998 1 230 . 1 1 141 141 LYS N N 15 126.333 0.00 . . . . . . . 296 LYS N . 27998 1 231 . 1 1 142 142 VAL H H 1 9.886 0.00 . . . . . . . 297 VAL H . 27998 1 232 . 1 1 142 142 VAL N N 15 128.192 0.00 . . . . . . . 297 VAL N . 27998 1 233 . 1 1 144 144 GLY H H 1 8.909 0.00 . . . . . . . 299 GLY H . 27998 1 234 . 1 1 144 144 GLY N N 15 110.584 0.00 . . . . . . . 299 GLY N . 27998 1 235 . 1 1 145 145 GLU H H 1 6.377 0.00 . . . . . . . 300 GLU H . 27998 1 236 . 1 1 145 145 GLU N N 15 114.687 0.00 . . . . . . . 300 GLU N . 27998 1 237 . 1 1 146 146 GLY H H 1 7.929 0.00 . . . . . . . 301 GLY H . 27998 1 238 . 1 1 146 146 GLY N N 15 108.367 0.00 . . . . . . . 301 GLY N . 27998 1 239 . 1 1 147 147 LEU H H 1 8.567 0.00 . . . . . . . 302 LEU H . 27998 1 240 . 1 1 147 147 LEU N N 15 121.639 0.00 . . . . . . . 302 LEU N . 27998 1 241 . 1 1 149 149 LEU H H 1 8.251 0.00 . . . . . . . 304 LEU H . 27998 1 242 . 1 1 149 149 LEU N N 15 127.491 0.00 . . . . . . . 304 LEU N . 27998 1 243 . 1 1 154 154 GLU H H 1 9.036 0.00 . . . . . . . 309 GLU H . 27998 1 244 . 1 1 154 154 GLU N N 15 119.959 0.00 . . . . . . . 309 GLU N . 27998 1 245 . 1 1 155 155 LYS H H 1 8.464 0.00 . . . . . . . 310 LYS H . 27998 1 246 . 1 1 155 155 LYS N N 15 123.480 0.00 . . . . . . . 310 LYS N . 27998 1 247 . 1 1 156 156 ARG H H 1 8.076 0.00 . . . . . . . 311 ARG H . 27998 1 248 . 1 1 156 156 ARG N N 15 118.630 0.00 . . . . . . . 311 ARG N . 27998 1 249 . 1 1 157 157 GLY H H 1 8.564 0.00 . . . . . . . 312 GLY H . 27998 1 250 . 1 1 157 157 GLY N N 15 107.026 0.00 . . . . . . . 312 GLY N . 27998 1 251 . 1 1 158 158 ASP H H 1 9.216 0.00 . . . . . . . 313 ASP H . 27998 1 252 . 1 1 158 158 ASP N N 15 119.368 0.00 . . . . . . . 313 ASP N . 27998 1 253 . 1 1 159 159 LEU H H 1 7.591 0.00 . . . . . . . 314 LEU H . 27998 1 254 . 1 1 159 159 LEU N N 15 122.535 0.00 . . . . . . . 314 LEU N . 27998 1 255 . 1 1 160 160 ILE H H 1 9.651 0.00 . . . . . . . 315 ILE H . 27998 1 256 . 1 1 160 160 ILE N N 15 128.521 0.00 . . . . . . . 315 ILE N . 27998 1 257 . 1 1 161 161 ILE H H 1 9.110 0.00 . . . . . . . 316 ILE H . 27998 1 258 . 1 1 161 161 ILE N N 15 129.439 0.00 . . . . . . . 316 ILE N . 27998 1 259 . 1 1 162 162 GLU H H 1 8.070 0.00 . . . . . . . 317 GLU H . 27998 1 260 . 1 1 162 162 GLU N N 15 128.074 0.00 . . . . . . . 317 GLU N . 27998 1 261 . 1 1 163 163 PHE H H 1 8.512 0.00 . . . . . . . 318 PHE H . 27998 1 262 . 1 1 163 163 PHE N N 15 125.519 0.00 . . . . . . . 318 PHE N . 27998 1 263 . 1 1 164 164 GLU H H 1 8.973 0.00 . . . . . . . 319 GLU H . 27998 1 264 . 1 1 164 164 GLU N N 15 126.464 0.00 . . . . . . . 319 GLU N . 27998 1 265 . 1 1 165 165 VAL H H 1 8.598 0.00 . . . . . . . 320 VAL H . 27998 1 266 . 1 1 165 165 VAL N N 15 125.691 0.00 . . . . . . . 320 VAL N . 27998 1 267 . 1 1 166 166 ILE H H 1 9.423 0.00 . . . . . . . 321 ILE H . 27998 1 268 . 1 1 166 166 ILE N N 15 130.009 0.00 . . . . . . . 321 ILE N . 27998 1 269 . 1 1 167 167 PHE H H 1 9.466 0.00 . . . . . . . 322 PHE H . 27998 1 270 . 1 1 167 167 PHE N N 15 133.648 0.00 . . . . . . . 322 PHE N . 27998 1 271 . 1 1 169 169 GLU H H 1 8.613 0.00 . . . . . . . 324 GLU H . 27998 1 272 . 1 1 169 169 GLU N N 15 119.605 0.00 . . . . . . . 324 GLU N . 27998 1 273 . 1 1 170 170 ARG H H 1 7.515 0.00 . . . . . . . 325 ARG H . 27998 1 274 . 1 1 170 170 ARG N N 15 114.058 0.00 . . . . . . . 325 ARG N . 27998 1 275 . 1 1 171 171 ILE H H 1 8.776 0.00 . . . . . . . 326 ILE H . 27998 1 276 . 1 1 171 171 ILE N N 15 121.771 0.00 . . . . . . . 326 ILE N . 27998 1 277 . 1 1 175 175 SER H H 1 7.105 0.00 . . . . . . . 330 SER H . 27998 1 278 . 1 1 175 175 SER N N 15 116.447 0.00 . . . . . . . 330 SER N . 27998 1 279 . 1 1 176 176 ARG H H 1 8.051 0.00 . . . . . . . 331 ARG H . 27998 1 280 . 1 1 176 176 ARG N N 15 123.601 0.00 . . . . . . . 331 ARG N . 27998 1 281 . 1 1 177 177 THR H H 1 7.951 0.00 . . . . . . . 332 THR H . 27998 1 282 . 1 1 177 177 THR N N 15 112.898 0.00 . . . . . . . 332 THR N . 27998 1 283 . 1 1 178 178 VAL H H 1 6.840 0.00 . . . . . . . 333 VAL H . 27998 1 284 . 1 1 178 178 VAL N N 15 120.791 0.00 . . . . . . . 333 VAL N . 27998 1 285 . 1 1 179 179 LEU H H 1 8.166 0.00 . . . . . . . 334 LEU H . 27998 1 286 . 1 1 179 179 LEU N N 15 120.617 0.00 . . . . . . . 334 LEU N . 27998 1 287 . 1 1 180 180 GLU H H 1 7.891 0.00 . . . . . . . 335 GLU H . 27998 1 288 . 1 1 180 180 GLU N N 15 116.674 0.00 . . . . . . . 335 GLU N . 27998 1 289 . 1 1 181 181 GLN H H 1 7.248 0.00 . . . . . . . 336 GLN H . 27998 1 290 . 1 1 181 181 GLN N N 15 114.398 0.00 . . . . . . . 336 GLN N . 27998 1 291 . 1 1 182 182 VAL H H 1 7.604 0.00 . . . . . . . 337 VAL H . 27998 1 292 . 1 1 182 182 VAL N N 15 111.404 0.00 . . . . . . . 337 VAL N . 27998 1 293 . 1 1 183 183 LEU H H 1 7.777 0.00 . . . . . . . 338 LEU H . 27998 1 294 . 1 1 183 183 LEU N N 15 123.244 0.00 . . . . . . . 338 LEU N . 27998 1 295 . 1 1 185 185 ILE H H 1 7.562 0.00 . . . . . . . 340 ILE H . 27998 1 296 . 1 1 185 185 ILE N N 15 122.975 0.00 . . . . . . . 340 ILE N . 27998 1 stop_ save_