data_52387 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52387 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of the C-terminal region of XLF in the full-length XLF protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-08 _Entry.Accession_date 2024-04-08 _Entry.Last_release_date 2024-04-08 _Entry.Original_release_date 2024-04-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 1 _Entry.Generated_software_label $software_1 _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 'Duc Duy' VU . . . 0009-0008-5591-0526 52387 2 Fabien Ferrage . . . . 52387 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52387 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 52387 '15N chemical shifts' 61 52387 '1H chemical shifts' 61 52387 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 . . 2024-06-19 . original BMRB . 52387 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52398 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal region of XRCC4' 52387 BMRB 52399 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for the BRCT1 domain of LIG4' 52387 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52387 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1038/s41594-024-01339-x _Citation.Full_citation . _Citation.Title ; Multivalent interactions of the disordered regions of XLF and XRCC4 foster robust cellular NHEJ and drive the formation of ligation-boosting condensates in vitro ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2024 _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 Duc-Duy Vu . . . . 52387 1 2 Alessio Bonucci . . . . 52387 1 3 Manon Breniere . . . . 52387 1 4 Metztli Cisneros-Aguirre . . . . 52387 1 5 Philippe Pelupessy . . . . 52387 1 6 Ziqing Wang . . . . 52387 1 7 Ludovic Carlier . . . . 52387 1 8 Guillaume Bouvignies . . . . 52387 1 9 Patricia Cortes . . . . 52387 1 10 Aneel Aggarwal . K. . . 52387 1 11 Martin Blackledge . . . . 52387 1 12 Zoher Gueroui . . . . 52387 1 13 Valerie Belle . . . . 52387 1 14 Jeremy Stark . M. . . 52387 1 15 Mauro Modesti . . . . 52387 1 16 Fabien Ferrage . . . . 52387 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52387 _Assembly.ID 1 _Assembly.Name XLF _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 XLF 1 $entity_1 . . yes native no no . . . 52387 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52387 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MEELEQGLLMQPWAWLQLAE NSLLAKVFITKQGYALLVSD LQQVWHEQVDTSVVSQRAKE LNKRLTAPPAAFLCHLDNLL RPLLKDAAHPSEATFSCDCV ADALILRVRSELSGLPFYWN FHCMLASPSLVSQHLIRPLM GMSLALQCQVRELATLLHMK DLEIQDYQESGATLIRDRLK TEPFEENSFLEQFMIEKLPE ACSIGDGKPFVMNLQDLYMA VTTQEVQVGQKHQGAGDPHT SNSASLQGIDSQCVNQPEQL VSSAPTLSAPEKESTGTSGP LQRPQLSKVKRKKPRGLFS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 299 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9H9Q4 . XLF . . . . . . . . . . . . . . 52387 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52387 1 2 . GLU . 52387 1 3 . GLU . 52387 1 4 . LEU . 52387 1 5 . GLU . 52387 1 6 . GLN . 52387 1 7 . GLY . 52387 1 8 . LEU . 52387 1 9 . LEU . 52387 1 10 . MET . 52387 1 11 . GLN . 52387 1 12 . PRO . 52387 1 13 . TRP . 52387 1 14 . ALA . 52387 1 15 . TRP . 52387 1 16 . LEU . 52387 1 17 . GLN . 52387 1 18 . LEU . 52387 1 19 . ALA . 52387 1 20 . GLU . 52387 1 21 . ASN . 52387 1 22 . SER . 52387 1 23 . LEU . 52387 1 24 . LEU . 52387 1 25 . ALA . 52387 1 26 . LYS . 52387 1 27 . VAL . 52387 1 28 . PHE . 52387 1 29 . ILE . 52387 1 30 . THR . 52387 1 31 . LYS . 52387 1 32 . GLN . 52387 1 33 . GLY . 52387 1 34 . TYR . 52387 1 35 . ALA . 52387 1 36 . LEU . 52387 1 37 . LEU . 52387 1 38 . VAL . 52387 1 39 . SER . 52387 1 40 . ASP . 52387 1 41 . LEU . 52387 1 42 . GLN . 52387 1 43 . GLN . 52387 1 44 . VAL . 52387 1 45 . TRP . 52387 1 46 . HIS . 52387 1 47 . GLU . 52387 1 48 . GLN . 52387 1 49 . VAL . 52387 1 50 . ASP . 52387 1 51 . THR . 52387 1 52 . SER . 52387 1 53 . VAL . 52387 1 54 . VAL . 52387 1 55 . SER . 52387 1 56 . GLN . 52387 1 57 . ARG . 52387 1 58 . ALA . 52387 1 59 . LYS . 52387 1 60 . GLU . 52387 1 61 . LEU . 52387 1 62 . ASN . 52387 1 63 . LYS . 52387 1 64 . ARG . 52387 1 65 . LEU . 52387 1 66 . THR . 52387 1 67 . ALA . 52387 1 68 . PRO . 52387 1 69 . PRO . 52387 1 70 . ALA . 52387 1 71 . ALA . 52387 1 72 . PHE . 52387 1 73 . LEU . 52387 1 74 . CYS . 52387 1 75 . HIS . 52387 1 76 . LEU . 52387 1 77 . ASP . 52387 1 78 . ASN . 52387 1 79 . LEU . 52387 1 80 . LEU . 52387 1 81 . ARG . 52387 1 82 . PRO . 52387 1 83 . LEU . 52387 1 84 . LEU . 52387 1 85 . LYS . 52387 1 86 . ASP . 52387 1 87 . ALA . 52387 1 88 . ALA . 52387 1 89 . HIS . 52387 1 90 . PRO . 52387 1 91 . SER . 52387 1 92 . GLU . 52387 1 93 . ALA . 52387 1 94 . THR . 52387 1 95 . PHE . 52387 1 96 . SER . 52387 1 97 . CYS . 52387 1 98 . ASP . 52387 1 99 . CYS . 52387 1 100 . VAL . 52387 1 101 . ALA . 52387 1 102 . ASP . 52387 1 103 . ALA . 52387 1 104 . LEU . 52387 1 105 . ILE . 52387 1 106 . LEU . 52387 1 107 . ARG . 52387 1 108 . VAL . 52387 1 109 . ARG . 52387 1 110 . SER . 52387 1 111 . GLU . 52387 1 112 . LEU . 52387 1 113 . SER . 52387 1 114 . GLY . 52387 1 115 . LEU . 52387 1 116 . PRO . 52387 1 117 . PHE . 52387 1 118 . TYR . 52387 1 119 . TRP . 52387 1 120 . ASN . 52387 1 121 . PHE . 52387 1 122 . HIS . 52387 1 123 . CYS . 52387 1 124 . MET . 52387 1 125 . LEU . 52387 1 126 . ALA . 52387 1 127 . SER . 52387 1 128 . PRO . 52387 1 129 . SER . 52387 1 130 . LEU . 52387 1 131 . VAL . 52387 1 132 . SER . 52387 1 133 . GLN . 52387 1 134 . HIS . 52387 1 135 . LEU . 52387 1 136 . ILE . 52387 1 137 . ARG . 52387 1 138 . PRO . 52387 1 139 . LEU . 52387 1 140 . MET . 52387 1 141 . GLY . 52387 1 142 . MET . 52387 1 143 . SER . 52387 1 144 . LEU . 52387 1 145 . ALA . 52387 1 146 . LEU . 52387 1 147 . GLN . 52387 1 148 . CYS . 52387 1 149 . GLN . 52387 1 150 . VAL . 52387 1 151 . ARG . 52387 1 152 . GLU . 52387 1 153 . LEU . 52387 1 154 . ALA . 52387 1 155 . THR . 52387 1 156 . LEU . 52387 1 157 . LEU . 52387 1 158 . HIS . 52387 1 159 . MET . 52387 1 160 . LYS . 52387 1 161 . ASP . 52387 1 162 . LEU . 52387 1 163 . GLU . 52387 1 164 . ILE . 52387 1 165 . GLN . 52387 1 166 . ASP . 52387 1 167 . TYR . 52387 1 168 . GLN . 52387 1 169 . GLU . 52387 1 170 . SER . 52387 1 171 . GLY . 52387 1 172 . ALA . 52387 1 173 . THR . 52387 1 174 . LEU . 52387 1 175 . ILE . 52387 1 176 . ARG . 52387 1 177 . ASP . 52387 1 178 . ARG . 52387 1 179 . LEU . 52387 1 180 . LYS . 52387 1 181 . THR . 52387 1 182 . GLU . 52387 1 183 . PRO . 52387 1 184 . PHE . 52387 1 185 . GLU . 52387 1 186 . GLU . 52387 1 187 . ASN . 52387 1 188 . SER . 52387 1 189 . PHE . 52387 1 190 . LEU . 52387 1 191 . GLU . 52387 1 192 . GLN . 52387 1 193 . PHE . 52387 1 194 . MET . 52387 1 195 . ILE . 52387 1 196 . GLU . 52387 1 197 . LYS . 52387 1 198 . LEU . 52387 1 199 . PRO . 52387 1 200 . GLU . 52387 1 201 . ALA . 52387 1 202 . CYS . 52387 1 203 . SER . 52387 1 204 . ILE . 52387 1 205 . GLY . 52387 1 206 . ASP . 52387 1 207 . GLY . 52387 1 208 . LYS . 52387 1 209 . PRO . 52387 1 210 . PHE . 52387 1 211 . VAL . 52387 1 212 . MET . 52387 1 213 . ASN . 52387 1 214 . LEU . 52387 1 215 . GLN . 52387 1 216 . ASP . 52387 1 217 . LEU . 52387 1 218 . TYR . 52387 1 219 . MET . 52387 1 220 . ALA . 52387 1 221 . VAL . 52387 1 222 . THR . 52387 1 223 . THR . 52387 1 224 . GLN . 52387 1 225 . GLU . 52387 1 226 . VAL . 52387 1 227 . GLN . 52387 1 228 . VAL . 52387 1 229 . GLY . 52387 1 230 . GLN . 52387 1 231 . LYS . 52387 1 232 . HIS . 52387 1 233 . GLN . 52387 1 234 . GLY . 52387 1 235 . ALA . 52387 1 236 . GLY . 52387 1 237 . ASP . 52387 1 238 . PRO . 52387 1 239 . HIS . 52387 1 240 . THR . 52387 1 241 . SER . 52387 1 242 . ASN . 52387 1 243 . SER . 52387 1 244 . ALA . 52387 1 245 . SER . 52387 1 246 . LEU . 52387 1 247 . GLN . 52387 1 248 . GLY . 52387 1 249 . ILE . 52387 1 250 . ASP . 52387 1 251 . SER . 52387 1 252 . GLN . 52387 1 253 . CYS . 52387 1 254 . VAL . 52387 1 255 . ASN . 52387 1 256 . GLN . 52387 1 257 . PRO . 52387 1 258 . GLU . 52387 1 259 . GLN . 52387 1 260 . LEU . 52387 1 261 . VAL . 52387 1 262 . SER . 52387 1 263 . SER . 52387 1 264 . ALA . 52387 1 265 . PRO . 52387 1 266 . THR . 52387 1 267 . LEU . 52387 1 268 . SER . 52387 1 269 . ALA . 52387 1 270 . PRO . 52387 1 271 . GLU . 52387 1 272 . LYS . 52387 1 273 . GLU . 52387 1 274 . SER . 52387 1 275 . THR . 52387 1 276 . GLY . 52387 1 277 . THR . 52387 1 278 . SER . 52387 1 279 . GLY . 52387 1 280 . PRO . 52387 1 281 . LEU . 52387 1 282 . GLN . 52387 1 283 . ARG . 52387 1 284 . PRO . 52387 1 285 . GLN . 52387 1 286 . LEU . 52387 1 287 . SER . 52387 1 288 . LYS . 52387 1 289 . VAL . 52387 1 290 . LYS . 52387 1 291 . ARG . 52387 1 292 . LYS . 52387 1 293 . LYS . 52387 1 294 . PRO . 52387 1 295 . ARG . 52387 1 296 . GLY . 52387 1 297 . LEU . 52387 1 298 . PHE . 52387 1 299 . SER . 52387 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52387 1 . GLU 2 2 52387 1 . GLU 3 3 52387 1 . LEU 4 4 52387 1 . GLU 5 5 52387 1 . GLN 6 6 52387 1 . GLY 7 7 52387 1 . LEU 8 8 52387 1 . LEU 9 9 52387 1 . MET 10 10 52387 1 . GLN 11 11 52387 1 . PRO 12 12 52387 1 . TRP 13 13 52387 1 . ALA 14 14 52387 1 . TRP 15 15 52387 1 . LEU 16 16 52387 1 . GLN 17 17 52387 1 . LEU 18 18 52387 1 . ALA 19 19 52387 1 . GLU 20 20 52387 1 . ASN 21 21 52387 1 . SER 22 22 52387 1 . LEU 23 23 52387 1 . LEU 24 24 52387 1 . ALA 25 25 52387 1 . LYS 26 26 52387 1 . VAL 27 27 52387 1 . PHE 28 28 52387 1 . ILE 29 29 52387 1 . THR 30 30 52387 1 . LYS 31 31 52387 1 . GLN 32 32 52387 1 . GLY 33 33 52387 1 . TYR 34 34 52387 1 . ALA 35 35 52387 1 . LEU 36 36 52387 1 . LEU 37 37 52387 1 . VAL 38 38 52387 1 . SER 39 39 52387 1 . ASP 40 40 52387 1 . LEU 41 41 52387 1 . GLN 42 42 52387 1 . GLN 43 43 52387 1 . VAL 44 44 52387 1 . TRP 45 45 52387 1 . HIS 46 46 52387 1 . GLU 47 47 52387 1 . GLN 48 48 52387 1 . VAL 49 49 52387 1 . ASP 50 50 52387 1 . THR 51 51 52387 1 . SER 52 52 52387 1 . VAL 53 53 52387 1 . VAL 54 54 52387 1 . SER 55 55 52387 1 . GLN 56 56 52387 1 . ARG 57 57 52387 1 . ALA 58 58 52387 1 . LYS 59 59 52387 1 . GLU 60 60 52387 1 . LEU 61 61 52387 1 . ASN 62 62 52387 1 . LYS 63 63 52387 1 . ARG 64 64 52387 1 . LEU 65 65 52387 1 . THR 66 66 52387 1 . ALA 67 67 52387 1 . PRO 68 68 52387 1 . PRO 69 69 52387 1 . ALA 70 70 52387 1 . ALA 71 71 52387 1 . PHE 72 72 52387 1 . LEU 73 73 52387 1 . CYS 74 74 52387 1 . HIS 75 75 52387 1 . LEU 76 76 52387 1 . ASP 77 77 52387 1 . ASN 78 78 52387 1 . LEU 79 79 52387 1 . LEU 80 80 52387 1 . ARG 81 81 52387 1 . PRO 82 82 52387 1 . LEU 83 83 52387 1 . LEU 84 84 52387 1 . LYS 85 85 52387 1 . ASP 86 86 52387 1 . ALA 87 87 52387 1 . ALA 88 88 52387 1 . HIS 89 89 52387 1 . PRO 90 90 52387 1 . SER 91 91 52387 1 . GLU 92 92 52387 1 . ALA 93 93 52387 1 . THR 94 94 52387 1 . PHE 95 95 52387 1 . SER 96 96 52387 1 . CYS 97 97 52387 1 . ASP 98 98 52387 1 . CYS 99 99 52387 1 . VAL 100 100 52387 1 . ALA 101 101 52387 1 . ASP 102 102 52387 1 . ALA 103 103 52387 1 . LEU 104 104 52387 1 . ILE 105 105 52387 1 . LEU 106 106 52387 1 . ARG 107 107 52387 1 . VAL 108 108 52387 1 . ARG 109 109 52387 1 . SER 110 110 52387 1 . GLU 111 111 52387 1 . LEU 112 112 52387 1 . SER 113 113 52387 1 . GLY 114 114 52387 1 . LEU 115 115 52387 1 . PRO 116 116 52387 1 . PHE 117 117 52387 1 . TYR 118 118 52387 1 . TRP 119 119 52387 1 . ASN 120 120 52387 1 . PHE 121 121 52387 1 . HIS 122 122 52387 1 . CYS 123 123 52387 1 . MET 124 124 52387 1 . LEU 125 125 52387 1 . ALA 126 126 52387 1 . SER 127 127 52387 1 . PRO 128 128 52387 1 . SER 129 129 52387 1 . LEU 130 130 52387 1 . VAL 131 131 52387 1 . SER 132 132 52387 1 . GLN 133 133 52387 1 . HIS 134 134 52387 1 . LEU 135 135 52387 1 . ILE 136 136 52387 1 . ARG 137 137 52387 1 . PRO 138 138 52387 1 . LEU 139 139 52387 1 . MET 140 140 52387 1 . GLY 141 141 52387 1 . MET 142 142 52387 1 . SER 143 143 52387 1 . LEU 144 144 52387 1 . ALA 145 145 52387 1 . LEU 146 146 52387 1 . GLN 147 147 52387 1 . CYS 148 148 52387 1 . GLN 149 149 52387 1 . VAL 150 150 52387 1 . ARG 151 151 52387 1 . GLU 152 152 52387 1 . LEU 153 153 52387 1 . ALA 154 154 52387 1 . THR 155 155 52387 1 . LEU 156 156 52387 1 . LEU 157 157 52387 1 . HIS 158 158 52387 1 . MET 159 159 52387 1 . LYS 160 160 52387 1 . ASP 161 161 52387 1 . LEU 162 162 52387 1 . GLU 163 163 52387 1 . ILE 164 164 52387 1 . GLN 165 165 52387 1 . ASP 166 166 52387 1 . TYR 167 167 52387 1 . GLN 168 168 52387 1 . GLU 169 169 52387 1 . SER 170 170 52387 1 . GLY 171 171 52387 1 . ALA 172 172 52387 1 . THR 173 173 52387 1 . LEU 174 174 52387 1 . ILE 175 175 52387 1 . ARG 176 176 52387 1 . ASP 177 177 52387 1 . ARG 178 178 52387 1 . LEU 179 179 52387 1 . LYS 180 180 52387 1 . THR 181 181 52387 1 . GLU 182 182 52387 1 . PRO 183 183 52387 1 . PHE 184 184 52387 1 . GLU 185 185 52387 1 . GLU 186 186 52387 1 . ASN 187 187 52387 1 . SER 188 188 52387 1 . PHE 189 189 52387 1 . LEU 190 190 52387 1 . GLU 191 191 52387 1 . GLN 192 192 52387 1 . PHE 193 193 52387 1 . MET 194 194 52387 1 . ILE 195 195 52387 1 . GLU 196 196 52387 1 . LYS 197 197 52387 1 . LEU 198 198 52387 1 . PRO 199 199 52387 1 . GLU 200 200 52387 1 . ALA 201 201 52387 1 . CYS 202 202 52387 1 . SER 203 203 52387 1 . ILE 204 204 52387 1 . GLY 205 205 52387 1 . ASP 206 206 52387 1 . GLY 207 207 52387 1 . LYS 208 208 52387 1 . PRO 209 209 52387 1 . PHE 210 210 52387 1 . VAL 211 211 52387 1 . MET 212 212 52387 1 . ASN 213 213 52387 1 . LEU 214 214 52387 1 . GLN 215 215 52387 1 . ASP 216 216 52387 1 . LEU 217 217 52387 1 . TYR 218 218 52387 1 . MET 219 219 52387 1 . ALA 220 220 52387 1 . VAL 221 221 52387 1 . THR 222 222 52387 1 . THR 223 223 52387 1 . GLN 224 224 52387 1 . GLU 225 225 52387 1 . VAL 226 226 52387 1 . GLN 227 227 52387 1 . VAL 228 228 52387 1 . GLY 229 229 52387 1 . GLN 230 230 52387 1 . LYS 231 231 52387 1 . HIS 232 232 52387 1 . GLN 233 233 52387 1 . GLY 234 234 52387 1 . ALA 235 235 52387 1 . GLY 236 236 52387 1 . ASP 237 237 52387 1 . PRO 238 238 52387 1 . HIS 239 239 52387 1 . THR 240 240 52387 1 . SER 241 241 52387 1 . ASN 242 242 52387 1 . SER 243 243 52387 1 . ALA 244 244 52387 1 . SER 245 245 52387 1 . LEU 246 246 52387 1 . GLN 247 247 52387 1 . GLY 248 248 52387 1 . ILE 249 249 52387 1 . ASP 250 250 52387 1 . SER 251 251 52387 1 . GLN 252 252 52387 1 . CYS 253 253 52387 1 . VAL 254 254 52387 1 . ASN 255 255 52387 1 . GLN 256 256 52387 1 . PRO 257 257 52387 1 . GLU 258 258 52387 1 . GLN 259 259 52387 1 . LEU 260 260 52387 1 . VAL 261 261 52387 1 . SER 262 262 52387 1 . SER 263 263 52387 1 . ALA 264 264 52387 1 . PRO 265 265 52387 1 . THR 266 266 52387 1 . LEU 267 267 52387 1 . SER 268 268 52387 1 . ALA 269 269 52387 1 . PRO 270 270 52387 1 . GLU 271 271 52387 1 . LYS 272 272 52387 1 . GLU 273 273 52387 1 . SER 274 274 52387 1 . THR 275 275 52387 1 . GLY 276 276 52387 1 . THR 277 277 52387 1 . SER 278 278 52387 1 . GLY 279 279 52387 1 . PRO 280 280 52387 1 . LEU 281 281 52387 1 . GLN 282 282 52387 1 . ARG 283 283 52387 1 . PRO 284 284 52387 1 . GLN 285 285 52387 1 . LEU 286 286 52387 1 . SER 287 287 52387 1 . LYS 288 288 52387 1 . VAL 289 289 52387 1 . LYS 290 290 52387 1 . ARG 291 291 52387 1 . LYS 292 292 52387 1 . LYS 293 293 52387 1 . PRO 294 294 52387 1 . ARG 295 295 52387 1 . GLY 296 296 52387 1 . LEU 297 297 52387 1 . PHE 298 298 52387 1 . SER 299 299 52387 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52387 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52387 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52387 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET16 . . . 52387 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52387 _Sample.ID 1 _Sample.Name XLF _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM Bistris 6.5 150 mM KCl 1 mM EDTA 1 mM DTT ; _Sample.Aggregate_sample_number 1 _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 XLF '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 250 . . uM 10 . . . 52387 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52387 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52387 1 4 Bistris 'natural abundance' . . . . . . 20 . . mM . . . . 52387 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 52387 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 52387 _Sample_condition_list.ID 1 _Sample_condition_list.Name Assignment _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 pH 6.5 . pH 52387 1 pressure 1 . atm 52387 1 temperature 298 . K 52387 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52387 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52387 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52387 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker ENS 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52387 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52387 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52387 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52387 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52387 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52387 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 0 external direct 1 . . . . . 52387 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52387 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name XLF_CTR _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 $chem_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' . . . 52387 1 2 '3D HNCO' . . . 52387 1 3 '3D HNCA' . . . 52387 1 4 '3D HNCACB' . . . 52387 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52387 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 . 1 232 232 HIS H H 1 8.296 0.00 . 1 . . . . . 232 HIS H . 52387 1 2 . 1 . 1 232 232 HIS C C 13 174.914 0.00 . 1 . . . . . 232 HIS C . 52387 1 3 . 1 . 1 232 232 HIS N N 15 120.315 0.00 . 1 . . . . . 232 HIS N . 52387 1 4 . 1 . 1 233 233 GLN H H 1 8.352 0.01 . 1 . . . . . 233 GLN H . 52387 1 5 . 1 . 1 233 233 GLN C C 13 176.326 0.00 . 1 . . . . . 233 GLN C . 52387 1 6 . 1 . 1 233 233 GLN CA C 13 56.096 0.01 . 1 . . . . . 233 GLN CA . 52387 1 7 . 1 . 1 233 233 GLN CB C 13 29.688 0.00 . 1 . . . . . 233 GLN CB . 52387 1 8 . 1 . 1 233 233 GLN N N 15 122.484 0.05 . 1 . . . . . 233 GLN N . 52387 1 9 . 1 . 1 234 234 GLY H H 1 8.446 0.00 . 1 . . . . . 234 GLY H . 52387 1 10 . 1 . 1 234 234 GLY C C 13 173.921 0.00 . 1 . . . . . 234 GLY C . 52387 1 11 . 1 . 1 234 234 GLY CA C 13 45.249 0.03 . 1 . . . . . 234 GLY CA . 52387 1 12 . 1 . 1 234 234 GLY N N 15 111.207 0.01 . 1 . . . . . 234 GLY N . 52387 1 13 . 1 . 1 235 235 ALA H H 1 8.255 0.00 . 1 . . . . . 235 ALA H . 52387 1 14 . 1 . 1 235 235 ALA C C 13 178.186 0.00 . 1 . . . . . 235 ALA C . 52387 1 15 . 1 . 1 235 235 ALA CA C 13 52.684 0.05 . 1 . . . . . 235 ALA CA . 52387 1 16 . 1 . 1 235 235 ALA CB C 13 19.351 0.00 . 1 . . . . . 235 ALA CB . 52387 1 17 . 1 . 1 235 235 ALA N N 15 124.432 0.02 . 1 . . . . . 235 ALA N . 52387 1 18 . 1 . 1 236 236 GLY H H 1 8.329 0.00 . 1 . . . . . 236 GLY H . 52387 1 19 . 1 . 1 236 236 GLY C C 13 173.463 0.00 . 1 . . . . . 236 GLY C . 52387 1 20 . 1 . 1 236 236 GLY CA C 13 44.954 0.03 . 1 . . . . . 236 GLY CA . 52387 1 21 . 1 . 1 236 236 GLY N N 15 108.487 0.03 . 1 . . . . . 236 GLY N . 52387 1 22 . 1 . 1 237 237 ASP H H 1 8.102 0.00 . 1 . . . . . 237 ASP H . 52387 1 23 . 1 . 1 237 237 ASP CA C 13 52.200 0.03 . 1 . . . . . 237 ASP CA . 52387 1 24 . 1 . 1 237 237 ASP CB C 13 41.345 0.00 . 1 . . . . . 237 ASP CB . 52387 1 25 . 1 . 1 237 237 ASP N N 15 122.257 0.06 . 1 . . . . . 237 ASP N . 52387 1 26 . 1 . 1 239 239 HIS H H 1 8.553 0.00 . 1 . . . . . 239 HIS H . 52387 1 27 . 1 . 1 239 239 HIS C C 13 175.279 0.00 . 1 . . . . . 239 HIS C . 52387 1 28 . 1 . 1 239 239 HIS CA C 13 56.206 0.00 . 1 . . . . . 239 HIS CA . 52387 1 29 . 1 . 1 239 239 HIS N N 15 118.766 0.00 . 1 . . . . . 239 HIS N . 52387 1 30 . 1 . 1 240 240 THR H H 1 7.953 0.00 . 1 . . . . . 240 THR H . 52387 1 31 . 1 . 1 240 240 THR C C 13 174.640 0.00 . 1 . . . . . 240 THR C . 52387 1 32 . 1 . 1 240 240 THR CA C 13 61.813 0.02 . 1 . . . . . 240 THR CA . 52387 1 33 . 1 . 1 240 240 THR CB C 13 69.863 0.00 . 1 . . . . . 240 THR CB . 52387 1 34 . 1 . 1 240 240 THR N N 15 114.806 0.01 . 1 . . . . . 240 THR N . 52387 1 35 . 1 . 1 241 241 SER H H 1 8.303 0.00 . 1 . . . . . 241 SER H . 52387 1 36 . 1 . 1 241 241 SER C C 13 174.391 0.00 . 1 . . . . . 241 SER C . 52387 1 37 . 1 . 1 241 241 SER CA C 13 58.436 0.00 . 1 . . . . . 241 SER CA . 52387 1 38 . 1 . 1 241 241 SER CB C 13 64.027 0.00 . 1 . . . . . 241 SER CB . 52387 1 39 . 1 . 1 241 241 SER N N 15 118.502 0.02 . 1 . . . . . 241 SER N . 52387 1 40 . 1 . 1 242 242 ASN H H 1 8.450 0.00 . 1 . . . . . 242 ASN H . 52387 1 41 . 1 . 1 242 242 ASN C C 13 175.500 0.00 . 1 . . . . . 242 ASN C . 52387 1 42 . 1 . 1 242 242 ASN CA C 13 53.333 0.00 . 1 . . . . . 242 ASN CA . 52387 1 43 . 1 . 1 242 242 ASN N N 15 121.603 0.02 . 1 . . . . . 242 ASN N . 52387 1 44 . 1 . 1 243 243 SER H H 1 8.250 0.00 . 1 . . . . . 243 SER H . 52387 1 45 . 1 . 1 243 243 SER C C 13 174.648 0.00 . 1 . . . . . 243 SER C . 52387 1 46 . 1 . 1 243 243 SER CA C 13 59.207 0.15 . 1 . . . . . 243 SER CA . 52387 1 47 . 1 . 1 243 243 SER CB C 13 63.654 0.00 . 1 . . . . . 243 SER CB . 52387 1 48 . 1 . 1 243 243 SER N N 15 116.915 0.01 . 1 . . . . . 243 SER N . 52387 1 49 . 1 . 1 244 244 ALA H H 1 8.282 0.00 . 1 . . . . . 244 ALA H . 52387 1 50 . 1 . 1 244 244 ALA C C 13 178.023 0.00 . 1 . . . . . 244 ALA C . 52387 1 51 . 1 . 1 244 244 ALA CA C 13 52.955 0.01 . 1 . . . . . 244 ALA CA . 52387 1 52 . 1 . 1 244 244 ALA CB C 13 18.957 0.19 . 1 . . . . . 244 ALA CB . 52387 1 53 . 1 . 1 244 244 ALA N N 15 126.370 0.01 . 1 . . . . . 244 ALA N . 52387 1 54 . 1 . 1 245 245 SER H H 1 8.111 0.00 . 1 . . . . . 245 SER H . 52387 1 55 . 1 . 1 245 245 SER C C 13 174.830 0.00 . 1 . . . . . 245 SER C . 52387 1 56 . 1 . 1 245 245 SER CA C 13 58.582 0.08 . 1 . . . . . 245 SER CA . 52387 1 57 . 1 . 1 245 245 SER CB C 13 63.736 0.00 . 1 . . . . . 245 SER CB . 52387 1 58 . 1 . 1 245 245 SER N N 15 114.983 0.01 . 1 . . . . . 245 SER N . 52387 1 59 . 1 . 1 246 246 LEU H H 1 8.133 0.00 . 1 . . . . . 246 LEU H . 52387 1 60 . 1 . 1 246 246 LEU C C 13 177.351 0.00 . 1 . . . . . 246 LEU C . 52387 1 61 . 1 . 1 246 246 LEU CA C 13 55.401 0.01 . 1 . . . . . 246 LEU CA . 52387 1 62 . 1 . 1 246 246 LEU CB C 13 42.018 0.11 . 1 . . . . . 246 LEU CB . 52387 1 63 . 1 . 1 246 246 LEU N N 15 124.323 0.01 . 1 . . . . . 246 LEU N . 52387 1 64 . 1 . 1 247 247 GLN H H 1 8.187 0.00 . 1 . . . . . 247 GLN H . 52387 1 65 . 1 . 1 247 247 GLN C C 13 176.450 0.00 . 1 . . . . . 247 GLN C . 52387 1 66 . 1 . 1 247 247 GLN CA C 13 56.021 0.06 . 1 . . . . . 247 GLN CA . 52387 1 67 . 1 . 1 247 247 GLN CB C 13 29.520 0.00 . 1 . . . . . 247 GLN CB . 52387 1 68 . 1 . 1 247 247 GLN N N 15 120.696 0.02 . 1 . . . . . 247 GLN N . 52387 1 69 . 1 . 1 248 248 GLY H H 1 8.326 0.00 . 1 . . . . . 248 GLY H . 52387 1 70 . 1 . 1 248 248 GLY C C 13 174.310 0.00 . 1 . . . . . 248 GLY C . 52387 1 71 . 1 . 1 248 248 GLY CA C 13 45.404 0.05 . 1 . . . . . 248 GLY CA . 52387 1 72 . 1 . 1 248 248 GLY N N 15 110.540 0.02 . 1 . . . . . 248 GLY N . 52387 1 73 . 1 . 1 249 249 ILE H H 1 7.936 0.00 . 1 . . . . . 249 ILE H . 52387 1 74 . 1 . 1 249 249 ILE C C 13 176.116 0.00 . 1 . . . . . 249 ILE C . 52387 1 75 . 1 . 1 249 249 ILE CA C 13 61.363 0.05 . 1 . . . . . 249 ILE CA . 52387 1 76 . 1 . 1 249 249 ILE CB C 13 38.900 0.05 . 1 . . . . . 249 ILE CB . 52387 1 77 . 1 . 1 249 249 ILE N N 15 120.240 0.01 . 1 . . . . . 249 ILE N . 52387 1 78 . 1 . 1 250 250 ASP H H 1 8.391 0.00 . 1 . . . . . 250 ASP H . 52387 1 79 . 1 . 1 250 250 ASP C C 13 176.531 0.00 . 1 . . . . . 250 ASP C . 52387 1 80 . 1 . 1 250 250 ASP CA C 13 54.408 0.03 . 1 . . . . . 250 ASP CA . 52387 1 81 . 1 . 1 250 250 ASP CB C 13 41.229 0.00 . 1 . . . . . 250 ASP CB . 52387 1 82 . 1 . 1 250 250 ASP N N 15 124.300 0.01 . 1 . . . . . 250 ASP N . 52387 1 83 . 1 . 1 251 251 SER H H 1 8.162 0.00 . 1 . . . . . 251 SER H . 52387 1 84 . 1 . 1 251 251 SER C C 13 174.793 0.00 . 1 . . . . . 251 SER C . 52387 1 85 . 1 . 1 251 251 SER CA C 13 58.920 0.03 . 1 . . . . . 251 SER CA . 52387 1 86 . 1 . 1 251 251 SER CB C 13 63.735 0.01 . 1 . . . . . 251 SER CB . 52387 1 87 . 1 . 1 251 251 SER N N 15 117.061 0.03 . 1 . . . . . 251 SER N . 52387 1 88 . 1 . 1 252 252 GLN H H 1 8.341 0.00 . 1 . . . . . 252 GLN H . 52387 1 89 . 1 . 1 252 252 GLN C C 13 175.984 0.00 . 1 . . . . . 252 GLN C . 52387 1 90 . 1 . 1 252 252 GLN CA C 13 56.058 0.07 . 1 . . . . . 252 GLN CA . 52387 1 91 . 1 . 1 252 252 GLN CB C 13 29.271 0.00 . 1 . . . . . 252 GLN CB . 52387 1 92 . 1 . 1 252 252 GLN N N 15 121.850 0.01 . 1 . . . . . 252 GLN N . 52387 1 93 . 1 . 1 253 253 CYS H H 1 8.202 0.01 . 1 . . . . . 253 CYS H . 52387 1 94 . 1 . 1 253 253 CYS C C 13 174.609 0.00 . 1 . . . . . 253 CYS C . 52387 1 95 . 1 . 1 253 253 CYS CA C 13 58.764 0.05 . 1 . . . . . 253 CYS CA . 52387 1 96 . 1 . 1 253 253 CYS CB C 13 27.878 0.01 . 1 . . . . . 253 CYS CB . 52387 1 97 . 1 . 1 253 253 CYS N N 15 120.506 0.07 . 1 . . . . . 253 CYS N . 52387 1 98 . 1 . 1 254 254 VAL H H 1 8.103 0.00 . 1 . . . . . 254 VAL H . 52387 1 99 . 1 . 1 254 254 VAL C C 13 175.717 0.00 . 1 . . . . . 254 VAL C . 52387 1 100 . 1 . 1 254 254 VAL CA C 13 62.427 0.02 . 1 . . . . . 254 VAL CA . 52387 1 101 . 1 . 1 254 254 VAL CB C 13 32.825 0.13 . 1 . . . . . 254 VAL CB . 52387 1 102 . 1 . 1 254 254 VAL N N 15 122.337 0.03 . 1 . . . . . 254 VAL N . 52387 1 103 . 1 . 1 255 255 ASN H H 1 8.395 0.00 . 1 . . . . . 255 ASN H . 52387 1 104 . 1 . 1 255 255 ASN C C 13 177.195 0.00 . 1 . . . . . 255 ASN C . 52387 1 105 . 1 . 1 255 255 ASN CA C 13 53.226 0.04 . 1 . . . . . 255 ASN CA . 52387 1 106 . 1 . 1 255 255 ASN CB C 13 39.058 0.00 . 1 . . . . . 255 ASN CB . 52387 1 107 . 1 . 1 255 255 ASN N N 15 122.543 0.02 . 1 . . . . . 255 ASN N . 52387 1 108 . 1 . 1 256 256 GLN H H 1 8.264 0.00 . 1 . . . . . 256 GLN H . 52387 1 109 . 1 . 1 256 256 GLN CA C 13 53.765 0.06 . 1 . . . . . 256 GLN CA . 52387 1 110 . 1 . 1 256 256 GLN CB C 13 29.034 0.00 . 1 . . . . . 256 GLN CB . 52387 1 111 . 1 . 1 256 256 GLN N N 15 122.155 0.05 . 1 . . . . . 256 GLN N . 52387 1 112 . 1 . 1 257 257 PRO C C 13 177.069 0.00 . 1 . . . . . 257 PRO C . 52387 1 113 . 1 . 1 257 257 PRO CA C 13 63.421 0.00 . 1 . . . . . 257 PRO CA . 52387 1 114 . 1 . 1 257 257 PRO CB C 13 32.057 0.00 . 1 . . . . . 257 PRO CB . 52387 1 115 . 1 . 1 258 258 GLU H H 1 8.544 0.00 . 1 . . . . . 258 GLU H . 52387 1 116 . 1 . 1 258 258 GLU C C 13 176.568 0.00 . 1 . . . . . 258 GLU C . 52387 1 117 . 1 . 1 258 258 GLU CA C 13 56.980 0.03 . 1 . . . . . 258 GLU CA . 52387 1 118 . 1 . 1 258 258 GLU CB C 13 30.104 0.00 . 1 . . . . . 258 GLU CB . 52387 1 119 . 1 . 1 258 258 GLU N N 15 121.366 0.01 . 1 . . . . . 258 GLU N . 52387 1 120 . 1 . 1 259 259 GLN H H 1 8.298 0.00 . 1 . . . . . 259 GLN H . 52387 1 121 . 1 . 1 259 259 GLN C C 13 175.716 0.00 . 1 . . . . . 259 GLN C . 52387 1 122 . 1 . 1 259 259 GLN CA C 13 55.759 0.04 . 1 . . . . . 259 GLN CA . 52387 1 123 . 1 . 1 259 259 GLN CB C 13 29.619 0.00 . 1 . . . . . 259 GLN CB . 52387 1 124 . 1 . 1 259 259 GLN N N 15 121.593 0.01 . 1 . . . . . 259 GLN N . 52387 1 125 . 1 . 1 260 260 LEU H H 1 8.205 0.00 . 1 . . . . . 260 LEU H . 52387 1 126 . 1 . 1 260 260 LEU C C 13 177.293 0.00 . 1 . . . . . 260 LEU C . 52387 1 127 . 1 . 1 260 260 LEU CA C 13 55.289 0.05 . 1 . . . . . 260 LEU CA . 52387 1 128 . 1 . 1 260 260 LEU CB C 13 42.359 0.04 . 1 . . . . . 260 LEU CB . 52387 1 129 . 1 . 1 260 260 LEU N N 15 124.279 0.01 . 1 . . . . . 260 LEU N . 52387 1 130 . 1 . 1 261 261 VAL H H 1 8.079 0.00 . 1 . . . . . 261 VAL H . 52387 1 131 . 1 . 1 261 261 VAL C C 13 176.145 0.00 . 1 . . . . . 261 VAL C . 52387 1 132 . 1 . 1 261 261 VAL CA C 13 62.292 0.04 . 1 . . . . . 261 VAL CA . 52387 1 133 . 1 . 1 261 261 VAL CB C 13 32.857 0.00 . 1 . . . . . 261 VAL CB . 52387 1 134 . 1 . 1 261 261 VAL N N 15 121.757 0.08 . 1 . . . . . 261 VAL N . 52387 1 135 . 1 . 1 262 262 SER H H 1 8.335 0.00 . 1 . . . . . 262 SER H . 52387 1 136 . 1 . 1 262 262 SER C C 13 174.476 0.00 . 1 . . . . . 262 SER C . 52387 1 137 . 1 . 1 262 262 SER CA C 13 58.118 0.04 . 1 . . . . . 262 SER CA . 52387 1 138 . 1 . 1 262 262 SER CB C 13 64.022 0.00 . 1 . . . . . 262 SER CB . 52387 1 139 . 1 . 1 262 262 SER N N 15 120.061 0.03 . 1 . . . . . 262 SER N . 52387 1 140 . 1 . 1 263 263 SER H H 1 8.263 0.00 . 1 . . . . . 263 SER H . 52387 1 141 . 1 . 1 263 263 SER C C 13 173.704 0.00 . 1 . . . . . 263 SER C . 52387 1 142 . 1 . 1 263 263 SER CA C 13 58.123 0.02 . 1 . . . . . 263 SER CA . 52387 1 143 . 1 . 1 263 263 SER CB C 13 64.025 0.02 . 1 . . . . . 263 SER CB . 52387 1 144 . 1 . 1 263 263 SER N N 15 118.642 0.02 . 1 . . . . . 263 SER N . 52387 1 145 . 1 . 1 264 264 ALA H H 1 8.199 0.00 . 1 . . . . . 264 ALA H . 52387 1 146 . 1 . 1 264 264 ALA CA C 13 50.700 0.02 . 1 . . . . . 264 ALA CA . 52387 1 147 . 1 . 1 264 264 ALA CB C 13 18.243 0.00 . 1 . . . . . 264 ALA CB . 52387 1 148 . 1 . 1 264 264 ALA N N 15 127.519 0.01 . 1 . . . . . 264 ALA N . 52387 1 149 . 1 . 1 265 265 PRO C C 13 177.049 0.00 . 1 . . . . . 265 PRO C . 52387 1 150 . 1 . 1 265 265 PRO CA C 13 63.207 0.00 . 1 . . . . . 265 PRO CA . 52387 1 151 . 1 . 1 265 265 PRO CB C 13 32.061 0.00 . 1 . . . . . 265 PRO CB . 52387 1 152 . 1 . 1 266 266 THR H H 1 8.186 0.00 . 1 . . . . . 266 THR H . 52387 1 153 . 1 . 1 266 266 THR C C 13 174.514 0.00 . 1 . . . . . 266 THR C . 52387 1 154 . 1 . 1 266 266 THR CA C 13 61.886 0.07 . 1 . . . . . 266 THR CA . 52387 1 155 . 1 . 1 266 266 THR CB C 13 69.797 0.03 . 1 . . . . . 266 THR CB . 52387 1 156 . 1 . 1 266 266 THR N N 15 115.334 0.02 . 1 . . . . . 266 THR N . 52387 1 157 . 1 . 1 267 267 LEU H H 1 8.232 0.00 . 1 . . . . . 267 LEU H . 52387 1 158 . 1 . 1 267 267 LEU C C 13 177.163 0.00 . 1 . . . . . 267 LEU C . 52387 1 159 . 1 . 1 267 267 LEU CA C 13 55.092 0.01 . 1 . . . . . 267 LEU CA . 52387 1 160 . 1 . 1 267 267 LEU CB C 13 42.550 0.08 . 1 . . . . . 267 LEU CB . 52387 1 161 . 1 . 1 267 267 LEU N N 15 125.484 0.01 . 1 . . . . . 267 LEU N . 52387 1 162 . 1 . 1 268 268 SER H H 1 8.226 0.00 . 1 . . . . . 268 SER H . 52387 1 163 . 1 . 1 268 268 SER C C 13 173.621 0.00 . 1 . . . . . 268 SER C . 52387 1 164 . 1 . 1 268 268 SER CA C 13 58.101 0.04 . 1 . . . . . 268 SER CA . 52387 1 165 . 1 . 1 268 268 SER CB C 13 63.972 0.04 . 1 . . . . . 268 SER CB . 52387 1 166 . 1 . 1 268 268 SER N N 15 117.630 0.03 . 1 . . . . . 268 SER N . 52387 1 167 . 1 . 1 269 269 ALA H H 1 8.252 0.00 . 1 . . . . . 269 ALA H . 52387 1 168 . 1 . 1 269 269 ALA CA C 13 50.763 0.01 . 1 . . . . . 269 ALA CA . 52387 1 169 . 1 . 1 269 269 ALA CB C 13 18.286 0.00 . 1 . . . . . 269 ALA CB . 52387 1 170 . 1 . 1 269 269 ALA N N 15 127.488 0.01 . 1 . . . . . 269 ALA N . 52387 1 171 . 1 . 1 270 270 PRO C C 13 177.175 0.00 . 1 . . . . . 270 PRO C . 52387 1 172 . 1 . 1 270 270 PRO CA C 13 63.323 0.02 . 1 . . . . . 270 PRO CA . 52387 1 173 . 1 . 1 271 271 GLU H H 1 8.502 0.00 . 1 . . . . . 271 GLU H . 52387 1 174 . 1 . 1 271 271 GLU C C 13 176.740 0.00 . 1 . . . . . 271 GLU C . 52387 1 175 . 1 . 1 271 271 GLU CA C 13 56.781 0.13 . 1 . . . . . 271 GLU CA . 52387 1 176 . 1 . 1 271 271 GLU CB C 13 30.165 0.00 . 1 . . . . . 271 GLU CB . 52387 1 177 . 1 . 1 271 271 GLU N N 15 121.440 0.01 . 1 . . . . . 271 GLU N . 52387 1 178 . 1 . 1 272 272 LYS H H 1 8.255 0.00 . 1 . . . . . 272 LYS H . 52387 1 179 . 1 . 1 272 272 LYS C C 13 176.609 0.00 . 1 . . . . . 272 LYS C . 52387 1 180 . 1 . 1 272 272 LYS CA C 13 56.527 0.03 . 1 . . . . . 272 LYS CA . 52387 1 181 . 1 . 1 272 272 LYS CB C 13 33.164 0.00 . 1 . . . . . 272 LYS CB . 52387 1 182 . 1 . 1 272 272 LYS N N 15 122.572 0.01 . 1 . . . . . 272 LYS N . 52387 1 183 . 1 . 1 273 273 GLU H H 1 8.374 0.00 . 1 . . . . . 273 GLU H . 52387 1 184 . 1 . 1 273 273 GLU C C 13 176.638 0.00 . 1 . . . . . 273 GLU C . 52387 1 185 . 1 . 1 273 273 GLU CA C 13 56.701 0.06 . 1 . . . . . 273 GLU CA . 52387 1 186 . 1 . 1 273 273 GLU CB C 13 30.273 0.03 . 1 . . . . . 273 GLU CB . 52387 1 187 . 1 . 1 273 273 GLU N N 15 122.423 0.04 . 1 . . . . . 273 GLU N . 52387 1 188 . 1 . 1 274 274 SER H H 1 8.376 0.00 . 1 . . . . . 274 SER H . 52387 1 189 . 1 . 1 274 274 SER C C 13 174.992 0.00 . 1 . . . . . 274 SER C . 52387 1 190 . 1 . 1 274 274 SER CA C 13 58.332 0.12 . 1 . . . . . 274 SER CA . 52387 1 191 . 1 . 1 274 274 SER CB C 13 63.671 0.07 . 1 . . . . . 274 SER CB . 52387 1 192 . 1 . 1 274 274 SER N N 15 117.563 0.01 . 1 . . . . . 274 SER N . 52387 1 193 . 1 . 1 275 275 THR H H 1 8.194 0.00 . 1 . . . . . 275 THR H . 52387 1 194 . 1 . 1 275 275 THR C C 13 175.291 0.00 . 1 . . . . . 275 THR C . 52387 1 195 . 1 . 1 275 275 THR CA C 13 62.086 0.03 . 1 . . . . . 275 THR CA . 52387 1 196 . 1 . 1 275 275 THR CB C 13 69.820 0.00 . 1 . . . . . 275 THR CB . 52387 1 197 . 1 . 1 275 275 THR N N 15 116.054 0.01 . 1 . . . . . 275 THR N . 52387 1 198 . 1 . 1 276 276 GLY H H 1 8.381 0.00 . 1 . . . . . 276 GLY H . 52387 1 199 . 1 . 1 276 276 GLY C C 13 174.506 0.00 . 1 . . . . . 276 GLY C . 52387 1 200 . 1 . 1 276 276 GLY CA C 13 45.553 0.03 . 1 . . . . . 276 GLY CA . 52387 1 201 . 1 . 1 276 276 GLY N N 15 111.572 0.02 . 1 . . . . . 276 GLY N . 52387 1 202 . 1 . 1 277 277 THR H H 1 8.066 0.00 . 1 . . . . . 277 THR H . 52387 1 203 . 1 . 1 277 277 THR C C 13 174.738 0.00 . 1 . . . . . 277 THR C . 52387 1 204 . 1 . 1 277 277 THR CA C 13 61.730 0.07 . 1 . . . . . 277 THR CA . 52387 1 205 . 1 . 1 277 277 THR CB C 13 69.884 0.00 . 1 . . . . . 277 THR CB . 52387 1 206 . 1 . 1 277 277 THR N N 15 113.782 0.02 . 1 . . . . . 277 THR N . 52387 1 207 . 1 . 1 278 278 SER H H 1 8.306 0.00 . 1 . . . . . 278 SER H . 52387 1 208 . 1 . 1 278 278 SER C C 13 174.537 0.00 . 1 . . . . . 278 SER C . 52387 1 209 . 1 . 1 278 278 SER CA C 13 58.362 0.10 . 1 . . . . . 278 SER CA . 52387 1 210 . 1 . 1 278 278 SER CB C 13 64.153 0.00 . 1 . . . . . 278 SER CB . 52387 1 211 . 1 . 1 278 278 SER N N 15 118.503 0.01 . 1 . . . . . 278 SER N . 52387 1 212 . 1 . 1 279 279 GLY H H 1 8.200 0.00 . 1 . . . . . 279 GLY H . 52387 1 213 . 1 . 1 279 279 GLY CA C 13 44.844 0.00 . 1 . . . . . 279 GLY CA . 52387 1 214 . 1 . 1 279 279 GLY N N 15 111.381 0.00 . 1 . . . . . 279 GLY N . 52387 1 215 . 1 . 1 280 280 PRO C C 13 174.612 0.00 . 1 . . . . . 280 PRO C . 52387 1 216 . 1 . 1 280 280 PRO CA C 13 63.306 0.00 . 1 . . . . . 280 PRO CA . 52387 1 217 . 1 . 1 281 281 LEU H H 1 8.272 0.01 . 1 . . . . . 281 LEU H . 52387 1 218 . 1 . 1 281 281 LEU C C 13 177.369 0.00 . 1 . . . . . 281 LEU C . 52387 1 219 . 1 . 1 281 281 LEU CA C 13 55.242 0.08 . 1 . . . . . 281 LEU CA . 52387 1 220 . 1 . 1 281 281 LEU CB C 13 42.108 0.00 . 1 . . . . . 281 LEU CB . 52387 1 221 . 1 . 1 281 281 LEU N N 15 122.120 0.03 . 1 . . . . . 281 LEU N . 52387 1 222 . 1 . 1 282 282 GLN H H 1 8.196 0.00 . 1 . . . . . 282 GLN H . 52387 1 223 . 1 . 1 282 282 GLN C C 13 176.302 0.00 . 1 . . . . . 282 GLN C . 52387 1 224 . 1 . 1 282 282 GLN CA C 13 55.509 0.03 . 1 . . . . . 282 GLN CA . 52387 1 225 . 1 . 1 282 282 GLN CB C 13 29.550 0.00 . 1 . . . . . 282 GLN CB . 52387 1 226 . 1 . 1 282 282 GLN N N 15 121.543 0.01 . 1 . . . . . 282 GLN N . 52387 1 227 . 1 . 1 283 283 ARG H H 1 8.266 0.00 . 1 . . . . . 283 ARG H . 52387 1 228 . 1 . 1 283 283 ARG CA C 13 54.181 0.00 . 1 . . . . . 283 ARG CA . 52387 1 229 . 1 . 1 283 283 ARG CB C 13 30.203 0.00 . 1 . . . . . 283 ARG CB . 52387 1 230 . 1 . 1 283 283 ARG N N 15 123.715 0.05 . 1 . . . . . 283 ARG N . 52387 1 231 . 1 . 1 284 284 PRO C C 13 176.888 0.00 . 1 . . . . . 284 PRO C . 52387 1 232 . 1 . 1 284 284 PRO CA C 13 63.300 0.04 . 1 . . . . . 284 PRO CA . 52387 1 233 . 1 . 1 284 284 PRO CB C 13 31.970 0.00 . 1 . . . . . 284 PRO CB . 52387 1 234 . 1 . 1 285 285 GLN H H 1 8.496 0.00 . 1 . . . . . 285 GLN H . 52387 1 235 . 1 . 1 285 285 GLN C C 13 176.109 0.00 . 1 . . . . . 285 GLN C . 52387 1 236 . 1 . 1 285 285 GLN CA C 13 55.825 0.00 . 1 . . . . . 285 GLN CA . 52387 1 237 . 1 . 1 285 285 GLN N N 15 121.327 0.08 . 1 . . . . . 285 GLN N . 52387 1 238 . 1 . 1 286 286 LEU H H 1 8.244 0.00 . 1 . . . . . 286 LEU H . 52387 1 239 . 1 . 1 286 286 LEU C C 13 177.437 0.00 . 1 . . . . . 286 LEU C . 52387 1 240 . 1 . 1 286 286 LEU CA C 13 55.384 0.04 . 1 . . . . . 286 LEU CA . 52387 1 241 . 1 . 1 286 286 LEU CB C 13 42.630 0.00 . 1 . . . . . 286 LEU CB . 52387 1 242 . 1 . 1 286 286 LEU N N 15 124.159 0.04 . 1 . . . . . 286 LEU N . 52387 1 243 . 1 . 1 287 287 SER H H 1 8.223 0.00 . 1 . . . . . 287 SER H . 52387 1 244 . 1 . 1 287 287 SER C C 13 174.660 0.00 . 1 . . . . . 287 SER C . 52387 1 245 . 1 . 1 287 287 SER CA C 13 58.453 0.00 . 1 . . . . . 287 SER CA . 52387 1 246 . 1 . 1 287 287 SER N N 15 116.881 0.01 . 1 . . . . . 287 SER N . 52387 1 247 . 1 . 1 288 288 LYS H H 1 8.311 0.00 . 1 . . . . . 288 LYS H . 52387 1 248 . 1 . 1 288 288 LYS C C 13 176.562 0.00 . 1 . . . . . 288 LYS C . 52387 1 249 . 1 . 1 288 288 LYS CA C 13 56.485 0.04 . 1 . . . . . 288 LYS CA . 52387 1 250 . 1 . 1 288 288 LYS N N 15 123.930 0.02 . 1 . . . . . 288 LYS N . 52387 1 251 . 1 . 1 289 289 VAL H H 1 7.936 0.00 . 1 . . . . . 289 VAL H . 52387 1 252 . 1 . 1 289 289 VAL C C 13 176.022 0.00 . 1 . . . . . 289 VAL C . 52387 1 253 . 1 . 1 289 289 VAL CA C 13 62.436 0.02 . 1 . . . . . 289 VAL CA . 52387 1 254 . 1 . 1 289 289 VAL CB C 13 32.824 0.00 . 1 . . . . . 289 VAL CB . 52387 1 255 . 1 . 1 289 289 VAL N N 15 121.358 0.01 . 1 . . . . . 289 VAL N . 52387 1 256 . 1 . 1 290 290 LYS H H 1 8.330 0.00 . 1 . . . . . 290 LYS H . 52387 1 257 . 1 . 1 290 290 LYS C C 13 175.585 0.00 . 1 . . . . . 290 LYS C . 52387 1 258 . 1 . 1 290 290 LYS CA C 13 56.109 0.13 . 1 . . . . . 290 LYS CA . 52387 1 259 . 1 . 1 290 290 LYS CB C 13 32.942 0.01 . 1 . . . . . 290 LYS CB . 52387 1 260 . 1 . 1 290 290 LYS N N 15 126.502 0.01 . 1 . . . . . 290 LYS N . 52387 1 261 . 1 . 1 291 291 ARG H H 1 8.265 0.00 . 1 . . . . . 291 ARG H . 52387 1 262 . 1 . 1 291 291 ARG C C 13 176.085 0.00 . 1 . . . . . 291 ARG C . 52387 1 263 . 1 . 1 291 291 ARG CA C 13 55.855 0.03 . 1 . . . . . 291 ARG CA . 52387 1 264 . 1 . 1 291 291 ARG CB C 13 30.252 0.00 . 1 . . . . . 291 ARG CB . 52387 1 265 . 1 . 1 291 291 ARG N N 15 123.719 0.03 . 1 . . . . . 291 ARG N . 52387 1 266 . 1 . 1 292 292 LYS H H 1 8.357 0.00 . 1 . . . . . 292 LYS H . 52387 1 267 . 1 . 1 292 292 LYS C C 13 176.240 0.00 . 1 . . . . . 292 LYS C . 52387 1 268 . 1 . 1 292 292 LYS CA C 13 56.311 0.16 . 1 . . . . . 292 LYS CA . 52387 1 269 . 1 . 1 292 292 LYS N N 15 124.175 0.02 . 1 . . . . . 292 LYS N . 52387 1 270 . 1 . 1 293 293 LYS H H 1 8.330 0.00 . 1 . . . . . 293 LYS H . 52387 1 271 . 1 . 1 293 293 LYS CA C 13 54.271 0.06 . 1 . . . . . 293 LYS CA . 52387 1 272 . 1 . 1 293 293 LYS CB C 13 32.921 0.00 . 1 . . . . . 293 LYS CB . 52387 1 273 . 1 . 1 293 293 LYS N N 15 124.966 0.01 . 1 . . . . . 293 LYS N . 52387 1 274 . 1 . 1 294 294 PRO C C 13 176.740 0.00 . 1 . . . . . 294 PRO C . 52387 1 275 . 1 . 1 295 295 ARG H H 1 8.411 0.00 . 1 . . . . . 295 ARG H . 52387 1 276 . 1 . 1 295 295 ARG C C 13 176.811 0.00 . 1 . . . . . 295 ARG C . 52387 1 277 . 1 . 1 295 295 ARG CA C 13 56.410 0.07 . 1 . . . . . 295 ARG CA . 52387 1 278 . 1 . 1 295 295 ARG CB C 13 30.855 0.00 . 1 . . . . . 295 ARG CB . 52387 1 279 . 1 . 1 295 295 ARG N N 15 122.048 0.02 . 1 . . . . . 295 ARG N . 52387 1 280 . 1 . 1 296 296 GLY H H 1 8.326 0.01 . 1 . . . . . 296 GLY H . 52387 1 281 . 1 . 1 296 296 GLY C C 13 173.771 0.00 . 1 . . . . . 296 GLY C . 52387 1 282 . 1 . 1 296 296 GLY CA C 13 45.259 0.07 . 1 . . . . . 296 GLY CA . 52387 1 283 . 1 . 1 296 296 GLY N N 15 110.564 0.02 . 1 . . . . . 296 GLY N . 52387 1 284 . 1 . 1 297 297 LEU H H 1 8.024 0.00 . 1 . . . . . 297 LEU H . 52387 1 285 . 1 . 1 297 297 LEU C C 13 177.082 0.00 . 1 . . . . . 297 LEU C . 52387 1 286 . 1 . 1 297 297 LEU CA C 13 55.520 0.05 . 1 . . . . . 297 LEU CA . 52387 1 287 . 1 . 1 297 297 LEU CB C 13 42.361 0.00 . 1 . . . . . 297 LEU CB . 52387 1 288 . 1 . 1 297 297 LEU N N 15 122.209 0.02 . 1 . . . . . 297 LEU N . 52387 1 289 . 1 . 1 298 298 PHE H H 1 8.192 0.00 . 1 . . . . . 298 PHE H . 52387 1 290 . 1 . 1 298 298 PHE C C 13 174.949 0.00 . 1 . . . . . 298 PHE C . 52387 1 291 . 1 . 1 298 298 PHE CA C 13 57.392 0.08 . 1 . . . . . 298 PHE CA . 52387 1 292 . 1 . 1 298 298 PHE CB C 13 39.614 0.01 . 1 . . . . . 298 PHE CB . 52387 1 293 . 1 . 1 298 298 PHE N N 15 120.236 0.03 . 1 . . . . . 298 PHE N . 52387 1 294 . 1 . 1 299 299 SER H H 1 7.742 0.00 . 1 . . . . . 299 SER H . 52387 1 295 . 1 . 1 299 299 SER CA C 13 60.026 0.00 . 1 . . . . . 299 SER CA . 52387 1 296 . 1 . 1 299 299 SER CB C 13 64.972 0.00 . 1 . . . . . 299 SER CB . 52387 1 297 . 1 . 1 299 299 SER N N 15 122.503 0.01 . 1 . . . . . 299 SER N . 52387 1 stop_ save_