data_52055 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52055 _Entry.Title ; HsPEX14 C-terminal region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-24 _Entry.Accession_date 2023-07-24 _Entry.Last_release_date 2023-07-24 _Entry.Original_release_date 2023-07-24 _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 . _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 Stefan Gaussmann . . . 0000-0003-0225-5165 52055 2 Michael Sattler . . . 0000-0002-1594-0527 52055 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52055 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 52055 '15N chemical shifts' 110 52055 '1H chemical shifts' 110 52055 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 . . 2026-10-01 . original BMRB . 52055 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52048 'Human PEX5 TPR domain' 52055 BMRB 52054 'HsPEX14 237-245' 52055 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52055 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Gatekeeping of peroxisomal import by an allosteric modulation of receptor/cargo interactions ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nature Communication' _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 . _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 Stefan Gaussmann . . . . 52055 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52055 _Assembly.ID 1 _Assembly.Name 'PEX14 225-377' _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 'PEX14 225-377' 1 $entity_1 . . yes native no no . . . 52055 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52055 _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 ; NRRQFPPSPSAPKIPSWQIP VKSPSPSSPAAVNHHSSSDI SPVSNESTSSSPGKEGHSPE GSTVTYHLLGPQEEGEGVVD VKGQVRMEVQGEEEKREDKE DEEDEEDDDVSHVDEEDCLG VQREDRRGGDGQINEQVEKL RRPEGASNESERD ; _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 153 _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 ; Sequence of full protein: MASSEQAEQPSQPSSTPGSENVLPREPLIATAVKFLQNSR VRQSPLATRRAFLKKKGLTDEEIDMAFQQSGTAADEPSSL GPATQVVPVQPPHLISQPYSPAGSRWRDYGALAIIMAGIA FGFHQLYKKYLLPLILGGREDRKQLERMEAGLSELSGSVA QTVTQLQTTLASVQELLIQQQQKIQELAHELAAAKATTST NWILESQNINELKSEINSLKGLLLNRRQFPPSPSAPKIPS WQIPVKSPSPSSPAAVNHHSSSDISPVSNESTSSSPGKEG HSPEGSTVTYHLLGPQEEGEGVVDVKGQVRMEVQGEEEKR EDKEDEEDEEDDDVSHVDEEDCLGVQREDRRGGDGQINEQ VEKLRRPEGASNESERD ; _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 O75381 . PEX14_HUMAN . . . . . . . . . . . . . . 52055 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 1 225 ASN . 52055 1 2 226 ARG . 52055 1 3 227 ARG . 52055 1 4 228 GLN . 52055 1 5 229 PHE . 52055 1 6 230 PRO . 52055 1 7 231 PRO . 52055 1 8 232 SER . 52055 1 9 233 PRO . 52055 1 10 234 SER . 52055 1 11 235 ALA . 52055 1 12 236 PRO . 52055 1 13 237 LYS . 52055 1 14 238 ILE . 52055 1 15 239 PRO . 52055 1 16 240 SER . 52055 1 17 241 TRP . 52055 1 18 242 GLN . 52055 1 19 243 ILE . 52055 1 20 244 PRO . 52055 1 21 245 VAL . 52055 1 22 246 LYS . 52055 1 23 247 SER . 52055 1 24 248 PRO . 52055 1 25 249 SER . 52055 1 26 250 PRO . 52055 1 27 251 SER . 52055 1 28 252 SER . 52055 1 29 253 PRO . 52055 1 30 254 ALA . 52055 1 31 255 ALA . 52055 1 32 256 VAL . 52055 1 33 257 ASN . 52055 1 34 258 HIS . 52055 1 35 259 HIS . 52055 1 36 260 SER . 52055 1 37 261 SER . 52055 1 38 262 SER . 52055 1 39 263 ASP . 52055 1 40 264 ILE . 52055 1 41 265 SER . 52055 1 42 266 PRO . 52055 1 43 267 VAL . 52055 1 44 268 SER . 52055 1 45 269 ASN . 52055 1 46 270 GLU . 52055 1 47 271 SER . 52055 1 48 272 THR . 52055 1 49 273 SER . 52055 1 50 274 SER . 52055 1 51 275 SER . 52055 1 52 276 PRO . 52055 1 53 277 GLY . 52055 1 54 278 LYS . 52055 1 55 279 GLU . 52055 1 56 280 GLY . 52055 1 57 281 HIS . 52055 1 58 282 SER . 52055 1 59 283 PRO . 52055 1 60 284 GLU . 52055 1 61 285 GLY . 52055 1 62 286 SER . 52055 1 63 287 THR . 52055 1 64 288 VAL . 52055 1 65 289 THR . 52055 1 66 290 TYR . 52055 1 67 291 HIS . 52055 1 68 292 LEU . 52055 1 69 293 LEU . 52055 1 70 294 GLY . 52055 1 71 295 PRO . 52055 1 72 296 GLN . 52055 1 73 297 GLU . 52055 1 74 298 GLU . 52055 1 75 299 GLY . 52055 1 76 300 GLU . 52055 1 77 301 GLY . 52055 1 78 302 VAL . 52055 1 79 303 VAL . 52055 1 80 304 ASP . 52055 1 81 305 VAL . 52055 1 82 306 LYS . 52055 1 83 307 GLY . 52055 1 84 308 GLN . 52055 1 85 309 VAL . 52055 1 86 310 ARG . 52055 1 87 311 MET . 52055 1 88 312 GLU . 52055 1 89 313 VAL . 52055 1 90 314 GLN . 52055 1 91 315 GLY . 52055 1 92 316 GLU . 52055 1 93 317 GLU . 52055 1 94 318 GLU . 52055 1 95 319 LYS . 52055 1 96 320 ARG . 52055 1 97 321 GLU . 52055 1 98 322 ASP . 52055 1 99 323 LYS . 52055 1 100 324 GLU . 52055 1 101 325 ASP . 52055 1 102 326 GLU . 52055 1 103 327 GLU . 52055 1 104 328 ASP . 52055 1 105 329 GLU . 52055 1 106 330 GLU . 52055 1 107 331 ASP . 52055 1 108 332 ASP . 52055 1 109 333 ASP . 52055 1 110 334 VAL . 52055 1 111 335 SER . 52055 1 112 336 HIS . 52055 1 113 337 VAL . 52055 1 114 338 ASP . 52055 1 115 339 GLU . 52055 1 116 340 GLU . 52055 1 117 341 ASP . 52055 1 118 342 CYS . 52055 1 119 343 LEU . 52055 1 120 344 GLY . 52055 1 121 345 VAL . 52055 1 122 346 GLN . 52055 1 123 347 ARG . 52055 1 124 348 GLU . 52055 1 125 349 ASP . 52055 1 126 350 ARG . 52055 1 127 351 ARG . 52055 1 128 352 GLY . 52055 1 129 353 GLY . 52055 1 130 354 ASP . 52055 1 131 355 GLY . 52055 1 132 356 GLN . 52055 1 133 357 ILE . 52055 1 134 358 ASN . 52055 1 135 359 GLU . 52055 1 136 360 GLN . 52055 1 137 361 VAL . 52055 1 138 362 GLU . 52055 1 139 363 LYS . 52055 1 140 364 LEU . 52055 1 141 365 ARG . 52055 1 142 366 ARG . 52055 1 143 367 PRO . 52055 1 144 368 GLU . 52055 1 145 369 GLY . 52055 1 146 370 ALA . 52055 1 147 371 SER . 52055 1 148 372 ASN . 52055 1 149 373 GLU . 52055 1 150 374 SER . 52055 1 151 375 GLU . 52055 1 152 376 ARG . 52055 1 153 377 ASP . 52055 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 . ASN 1 1 52055 1 . ARG 2 2 52055 1 . ARG 3 3 52055 1 . GLN 4 4 52055 1 . PHE 5 5 52055 1 . PRO 6 6 52055 1 . PRO 7 7 52055 1 . SER 8 8 52055 1 . PRO 9 9 52055 1 . SER 10 10 52055 1 . ALA 11 11 52055 1 . PRO 12 12 52055 1 . LYS 13 13 52055 1 . ILE 14 14 52055 1 . PRO 15 15 52055 1 . SER 16 16 52055 1 . TRP 17 17 52055 1 . GLN 18 18 52055 1 . ILE 19 19 52055 1 . PRO 20 20 52055 1 . VAL 21 21 52055 1 . LYS 22 22 52055 1 . SER 23 23 52055 1 . PRO 24 24 52055 1 . SER 25 25 52055 1 . PRO 26 26 52055 1 . SER 27 27 52055 1 . SER 28 28 52055 1 . PRO 29 29 52055 1 . ALA 30 30 52055 1 . ALA 31 31 52055 1 . VAL 32 32 52055 1 . ASN 33 33 52055 1 . HIS 34 34 52055 1 . HIS 35 35 52055 1 . SER 36 36 52055 1 . SER 37 37 52055 1 . SER 38 38 52055 1 . ASP 39 39 52055 1 . ILE 40 40 52055 1 . SER 41 41 52055 1 . PRO 42 42 52055 1 . VAL 43 43 52055 1 . SER 44 44 52055 1 . ASN 45 45 52055 1 . GLU 46 46 52055 1 . SER 47 47 52055 1 . THR 48 48 52055 1 . SER 49 49 52055 1 . SER 50 50 52055 1 . SER 51 51 52055 1 . PRO 52 52 52055 1 . GLY 53 53 52055 1 . LYS 54 54 52055 1 . GLU 55 55 52055 1 . GLY 56 56 52055 1 . HIS 57 57 52055 1 . SER 58 58 52055 1 . PRO 59 59 52055 1 . GLU 60 60 52055 1 . GLY 61 61 52055 1 . SER 62 62 52055 1 . THR 63 63 52055 1 . VAL 64 64 52055 1 . THR 65 65 52055 1 . TYR 66 66 52055 1 . HIS 67 67 52055 1 . LEU 68 68 52055 1 . LEU 69 69 52055 1 . GLY 70 70 52055 1 . PRO 71 71 52055 1 . GLN 72 72 52055 1 . GLU 73 73 52055 1 . GLU 74 74 52055 1 . GLY 75 75 52055 1 . GLU 76 76 52055 1 . GLY 77 77 52055 1 . VAL 78 78 52055 1 . VAL 79 79 52055 1 . ASP 80 80 52055 1 . VAL 81 81 52055 1 . LYS 82 82 52055 1 . GLY 83 83 52055 1 . GLN 84 84 52055 1 . VAL 85 85 52055 1 . ARG 86 86 52055 1 . MET 87 87 52055 1 . GLU 88 88 52055 1 . VAL 89 89 52055 1 . GLN 90 90 52055 1 . GLY 91 91 52055 1 . GLU 92 92 52055 1 . GLU 93 93 52055 1 . GLU 94 94 52055 1 . LYS 95 95 52055 1 . ARG 96 96 52055 1 . GLU 97 97 52055 1 . ASP 98 98 52055 1 . LYS 99 99 52055 1 . GLU 100 100 52055 1 . ASP 101 101 52055 1 . GLU 102 102 52055 1 . GLU 103 103 52055 1 . ASP 104 104 52055 1 . GLU 105 105 52055 1 . GLU 106 106 52055 1 . ASP 107 107 52055 1 . ASP 108 108 52055 1 . ASP 109 109 52055 1 . VAL 110 110 52055 1 . SER 111 111 52055 1 . HIS 112 112 52055 1 . VAL 113 113 52055 1 . ASP 114 114 52055 1 . GLU 115 115 52055 1 . GLU 116 116 52055 1 . ASP 117 117 52055 1 . CYS 118 118 52055 1 . LEU 119 119 52055 1 . GLY 120 120 52055 1 . VAL 121 121 52055 1 . GLN 122 122 52055 1 . ARG 123 123 52055 1 . GLU 124 124 52055 1 . ASP 125 125 52055 1 . ARG 126 126 52055 1 . ARG 127 127 52055 1 . GLY 128 128 52055 1 . GLY 129 129 52055 1 . ASP 130 130 52055 1 . GLY 131 131 52055 1 . GLN 132 132 52055 1 . ILE 133 133 52055 1 . ASN 134 134 52055 1 . GLU 135 135 52055 1 . GLN 136 136 52055 1 . VAL 137 137 52055 1 . GLU 138 138 52055 1 . LYS 139 139 52055 1 . LEU 140 140 52055 1 . ARG 141 141 52055 1 . ARG 142 142 52055 1 . PRO 143 143 52055 1 . GLU 144 144 52055 1 . GLY 145 145 52055 1 . ALA 146 146 52055 1 . SER 147 147 52055 1 . ASN 148 148 52055 1 . GLU 149 149 52055 1 . SER 150 150 52055 1 . GLU 151 151 52055 1 . ARG 152 152 52055 1 . ASP 153 153 52055 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 52055 _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 . . . . . . . . . . . . . 52055 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 52055 _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 K12 'BL21 DE3' . plasmid . . pETM11 . . . 52055 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52055 _Sample.ID 1 _Sample.Name 'PEX14 225-377 15N13C' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PEX14 225-377' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52055 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52055 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52055 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52055 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 52055 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'PEX14 225-377' _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' 133 . M 52055 1 pH 6.5 . pH 52055 1 pressure 1 . atm 52055 1 temperature 298 . K 52055 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52055 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52055 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52055 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52055 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52055 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52055 3 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 52055 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Chef _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 52055 _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 . . . . . . . . . . . . . . . . . 52055 1 2 '3D CBCANH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52055 1 3 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52055 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52055 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52055 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 52055 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'PEX14 225-377' _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 . . . . . 52055 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52055 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52055 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 52055 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'PEX14 225-377' _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' . . . 52055 1 2 '3D CBCANH' . . . 52055 1 3 '3D CBCA(CO)NH' . . . 52055 1 4 '3D HNCO' . . . 52055 1 5 '3D HN(CA)CO' . . . 52055 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 . . 52055 1 2 $software_2 . . 52055 1 3 $software_3 . . 52055 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 9 9 PRO C C 13 176.916 0.000 . 1 . . . . . 233 PRO C . 52055 1 2 . 1 . 1 9 9 PRO CA C 13 63.473 0.000 . 1 . . . . . 233 PRO CA . 52055 1 3 . 1 . 1 9 9 PRO CB C 13 32.061 0.000 . 1 . . . . . 233 PRO CB . 52055 1 4 . 1 . 1 10 10 SER H H 1 8.196 0.002 . 1 . . . . . 234 SER H . 52055 1 5 . 1 . 1 10 10 SER C C 13 173.748 0.000 . 1 . . . . . 234 SER C . 52055 1 6 . 1 . 1 10 10 SER CA C 13 58.149 0.017 . 1 . . . . . 234 SER CA . 52055 1 7 . 1 . 1 10 10 SER CB C 13 63.907 0.087 . 1 . . . . . 234 SER CB . 52055 1 8 . 1 . 1 10 10 SER N N 15 115.489 0.008 . 1 . . . . . 234 SER N . 52055 1 9 . 1 . 1 11 11 ALA H H 1 8.077 0.001 . 1 . . . . . 235 ALA H . 52055 1 10 . 1 . 1 11 11 ALA C C 13 175.251 0.000 . 1 . . . . . 235 ALA C . 52055 1 11 . 1 . 1 11 11 ALA CA C 13 50.578 0.000 . 1 . . . . . 235 ALA CA . 52055 1 12 . 1 . 1 11 11 ALA CB C 13 18.188 0.000 . 1 . . . . . 235 ALA CB . 52055 1 13 . 1 . 1 11 11 ALA N N 15 126.998 0.014 . 1 . . . . . 235 ALA N . 52055 1 14 . 1 . 1 12 12 PRO C C 13 176.660 0.000 . 1 . . . . . 236 PRO C . 52055 1 15 . 1 . 1 12 12 PRO CA C 13 62.992 0.000 . 1 . . . . . 236 PRO CA . 52055 1 16 . 1 . 1 12 12 PRO CB C 13 32.204 0.000 . 1 . . . . . 236 PRO CB . 52055 1 17 . 1 . 1 13 13 LYS H H 1 8.328 0.001 . 1 . . . . . 237 LYS H . 52055 1 18 . 1 . 1 13 13 LYS C C 13 176.345 0.000 . 1 . . . . . 237 LYS C . 52055 1 19 . 1 . 1 13 13 LYS CA C 13 56.135 0.000 . 1 . . . . . 237 LYS CA . 52055 1 20 . 1 . 1 13 13 LYS CB C 13 32.711 0.000 . 1 . . . . . 237 LYS CB . 52055 1 21 . 1 . 1 13 13 LYS N N 15 121.896 0.015 . 1 . . . . . 237 LYS N . 52055 1 22 . 1 . 1 14 14 ILE H H 1 8.028 0.001 . 1 . . . . . 238 ILE H . 52055 1 23 . 1 . 1 14 14 ILE C C 13 174.304 0.000 . 1 . . . . . 238 ILE C . 52055 1 24 . 1 . 1 14 14 ILE CA C 13 58.492 0.000 . 1 . . . . . 238 ILE CA . 52055 1 25 . 1 . 1 14 14 ILE CB C 13 38.618 0.000 . 1 . . . . . 238 ILE CB . 52055 1 26 . 1 . 1 14 14 ILE N N 15 123.634 0.007 . 1 . . . . . 238 ILE N . 52055 1 27 . 1 . 1 15 15 PRO C C 13 177.202 0.000 . 1 . . . . . 239 PRO C . 52055 1 28 . 1 . 1 15 15 PRO CA C 13 62.800 0.000 . 1 . . . . . 239 PRO CA . 52055 1 29 . 1 . 1 15 15 PRO CB C 13 31.884 0.000 . 1 . . . . . 239 PRO CB . 52055 1 30 . 1 . 1 16 16 SER H H 1 8.309 0.002 . 1 . . . . . 240 SER H . 52055 1 31 . 1 . 1 16 16 SER C C 13 174.707 0.000 . 1 . . . . . 240 SER C . 52055 1 32 . 1 . 1 16 16 SER CA C 13 59.420 0.010 . 1 . . . . . 240 SER CA . 52055 1 33 . 1 . 1 16 16 SER CB C 13 63.496 0.002 . 1 . . . . . 240 SER CB . 52055 1 34 . 1 . 1 16 16 SER N N 15 116.112 0.006 . 1 . . . . . 240 SER N . 52055 1 35 . 1 . 1 17 17 TRP H H 1 7.547 0.001 . 1 . . . . . 241 TRP H . 52055 1 36 . 1 . 1 17 17 TRP C C 13 175.909 0.000 . 1 . . . . . 241 TRP C . 52055 1 37 . 1 . 1 17 17 TRP CA C 13 57.059 0.020 . 1 . . . . . 241 TRP CA . 52055 1 38 . 1 . 1 17 17 TRP CB C 13 28.945 0.012 . 1 . . . . . 241 TRP CB . 52055 1 39 . 1 . 1 17 17 TRP N N 15 120.237 0.008 . 1 . . . . . 241 TRP N . 52055 1 40 . 1 . 1 18 18 GLN H H 1 7.683 0.004 . 1 . . . . . 242 GLN H . 52055 1 41 . 1 . 1 18 18 GLN C C 13 175.081 0.000 . 1 . . . . . 242 GLN C . 52055 1 42 . 1 . 1 18 18 GLN CA C 13 55.508 0.010 . 1 . . . . . 242 GLN CA . 52055 1 43 . 1 . 1 18 18 GLN CB C 13 29.504 0.052 . 1 . . . . . 242 GLN CB . 52055 1 44 . 1 . 1 18 18 GLN N N 15 121.514 0.007 . 1 . . . . . 242 GLN N . 52055 1 45 . 1 . 1 19 19 ILE H H 1 7.792 0.001 . 1 . . . . . 243 ILE H . 52055 1 46 . 1 . 1 19 19 ILE C C 13 174.508 0.000 . 1 . . . . . 243 ILE C . 52055 1 47 . 1 . 1 19 19 ILE CA C 13 58.964 0.000 . 1 . . . . . 243 ILE CA . 52055 1 48 . 1 . 1 19 19 ILE CB C 13 38.483 0.000 . 1 . . . . . 243 ILE CB . 52055 1 49 . 1 . 1 19 19 ILE N N 15 123.708 0.003 . 1 . . . . . 243 ILE N . 52055 1 50 . 1 . 1 20 20 PRO C C 13 176.703 0.000 . 1 . . . . . 244 PRO C . 52055 1 51 . 1 . 1 20 20 PRO CA C 13 63.247 0.000 . 1 . . . . . 244 PRO CA . 52055 1 52 . 1 . 1 20 20 PRO CB C 13 32.074 0.000 . 1 . . . . . 244 PRO CB . 52055 1 53 . 1 . 1 21 21 VAL H H 1 8.094 0.001 . 1 . . . . . 245 VAL H . 52055 1 54 . 1 . 1 21 21 VAL C C 13 176.130 0.008 . 1 . . . . . 245 VAL C . 52055 1 55 . 1 . 1 21 21 VAL CA C 13 62.282 0.015 . 1 . . . . . 245 VAL CA . 52055 1 56 . 1 . 1 21 21 VAL CB C 13 32.798 0.004 . 1 . . . . . 245 VAL CB . 52055 1 57 . 1 . 1 21 21 VAL N N 15 120.823 0.015 . 1 . . . . . 245 VAL N . 52055 1 58 . 1 . 1 22 22 LYS H H 1 8.295 0.001 . 1 . . . . . 246 LYS H . 52055 1 59 . 1 . 1 22 22 LYS C C 13 176.156 0.000 . 1 . . . . . 246 LYS C . 52055 1 60 . 1 . 1 22 22 LYS CA C 13 56.101 0.000 . 1 . . . . . 246 LYS CA . 52055 1 61 . 1 . 1 22 22 LYS CB C 13 33.196 0.094 . 1 . . . . . 246 LYS CB . 52055 1 62 . 1 . 1 22 22 LYS N N 15 125.489 0.008 . 1 . . . . . 246 LYS N . 52055 1 63 . 1 . 1 23 23 SER H H 1 8.326 0.001 . 1 . . . . . 247 SER H . 52055 1 64 . 1 . 1 23 23 SER C C 13 176.169 0.000 . 1 . . . . . 247 SER C . 52055 1 65 . 1 . 1 23 23 SER CA C 13 56.365 0.000 . 1 . . . . . 247 SER CA . 52055 1 66 . 1 . 1 23 23 SER CB C 13 63.242 0.000 . 1 . . . . . 247 SER CB . 52055 1 67 . 1 . 1 23 23 SER N N 15 119.328 0.007 . 1 . . . . . 247 SER N . 52055 1 68 . 1 . 1 26 26 PRO C C 13 176.932 0.000 . 1 . . . . . 250 PRO C . 52055 1 69 . 1 . 1 26 26 PRO CA C 13 63.110 0.000 . 1 . . . . . 250 PRO CA . 52055 1 70 . 1 . 1 26 26 PRO CB C 13 31.984 0.000 . 1 . . . . . 250 PRO CB . 52055 1 71 . 1 . 1 27 27 SER H H 1 8.266 0.001 . 1 . . . . . 251 SER H . 52055 1 72 . 1 . 1 27 27 SER C C 13 174.191 0.002 . 1 . . . . . 251 SER C . 52055 1 73 . 1 . 1 27 27 SER CA C 13 58.395 0.000 . 1 . . . . . 251 SER CA . 52055 1 74 . 1 . 1 27 27 SER CB C 13 63.882 0.000 . 1 . . . . . 251 SER CB . 52055 1 75 . 1 . 1 27 27 SER N N 15 115.609 0.012 . 1 . . . . . 251 SER N . 52055 1 76 . 1 . 1 28 28 SER H H 1 8.133 0.001 . 1 . . . . . 252 SER H . 52055 1 77 . 1 . 1 28 28 SER C C 13 172.675 0.000 . 1 . . . . . 252 SER C . 52055 1 78 . 1 . 1 28 28 SER CA C 13 56.216 0.000 . 1 . . . . . 252 SER CA . 52055 1 79 . 1 . 1 28 28 SER CB C 13 63.465 0.000 . 1 . . . . . 252 SER CB . 52055 1 80 . 1 . 1 28 28 SER N N 15 118.568 0.022 . 1 . . . . . 252 SER N . 52055 1 81 . 1 . 1 29 29 PRO C C 13 176.656 0.000 . 1 . . . . . 253 PRO C . 52055 1 82 . 1 . 1 29 29 PRO CA C 13 63.486 0.000 . 1 . . . . . 253 PRO CA . 52055 1 83 . 1 . 1 29 29 PRO CB C 13 32.043 0.000 . 1 . . . . . 253 PRO CB . 52055 1 84 . 1 . 1 30 30 ALA H H 1 8.181 0.001 . 1 . . . . . 254 ALA H . 52055 1 85 . 1 . 1 30 30 ALA C C 13 177.506 0.002 . 1 . . . . . 254 ALA C . 52055 1 86 . 1 . 1 30 30 ALA CA C 13 52.456 0.000 . 1 . . . . . 254 ALA CA . 52055 1 87 . 1 . 1 30 30 ALA CB C 13 19.075 0.055 . 1 . . . . . 254 ALA CB . 52055 1 88 . 1 . 1 30 30 ALA N N 15 123.518 0.009 . 1 . . . . . 254 ALA N . 52055 1 89 . 1 . 1 31 31 ALA H H 1 8.091 0.001 . 1 . . . . . 255 ALA H . 52055 1 90 . 1 . 1 31 31 ALA C C 13 177.664 0.019 . 1 . . . . . 255 ALA C . 52055 1 91 . 1 . 1 31 31 ALA CA C 13 52.438 0.017 . 1 . . . . . 255 ALA CA . 52055 1 92 . 1 . 1 31 31 ALA CB C 13 19.192 0.011 . 1 . . . . . 255 ALA CB . 52055 1 93 . 1 . 1 31 31 ALA N N 15 123.176 0.002 . 1 . . . . . 255 ALA N . 52055 1 94 . 1 . 1 32 32 VAL H H 1 7.932 0.000 . 1 . . . . . 256 VAL H . 52055 1 95 . 1 . 1 32 32 VAL C C 13 175.679 0.003 . 1 . . . . . 256 VAL C . 52055 1 96 . 1 . 1 32 32 VAL CA C 13 62.306 0.015 . 1 . . . . . 256 VAL CA . 52055 1 97 . 1 . 1 32 32 VAL CB C 13 32.838 0.061 . 1 . . . . . 256 VAL CB . 52055 1 98 . 1 . 1 32 32 VAL N N 15 118.878 0.005 . 1 . . . . . 256 VAL N . 52055 1 99 . 1 . 1 33 33 ASN H H 1 8.323 0.001 . 1 . . . . . 257 ASN H . 52055 1 100 . 1 . 1 33 33 ASN C C 13 174.818 0.000 . 1 . . . . . 257 ASN C . 52055 1 101 . 1 . 1 33 33 ASN CA C 13 52.908 0.000 . 1 . . . . . 257 ASN CA . 52055 1 102 . 1 . 1 33 33 ASN CB C 13 38.919 0.000 . 1 . . . . . 257 ASN CB . 52055 1 103 . 1 . 1 33 33 ASN N N 15 121.801 0.013 . 1 . . . . . 257 ASN N . 52055 1 104 . 1 . 1 37 37 SER H H 1 8.429 0.002 . 1 . . . . . 261 SER H . 52055 1 105 . 1 . 1 37 37 SER C C 13 174.636 0.000 . 1 . . . . . 261 SER C . 52055 1 106 . 1 . 1 37 37 SER CA C 13 58.626 0.000 . 1 . . . . . 261 SER CA . 52055 1 107 . 1 . 1 37 37 SER CB C 13 63.789 0.000 . 1 . . . . . 261 SER CB . 52055 1 108 . 1 . 1 37 37 SER N N 15 118.082 0.007 . 1 . . . . . 261 SER N . 52055 1 109 . 1 . 1 38 38 SER H H 1 8.240 0.001 . 1 . . . . . 262 SER H . 52055 1 110 . 1 . 1 38 38 SER C C 13 174.107 0.007 . 1 . . . . . 262 SER C . 52055 1 111 . 1 . 1 38 38 SER CA C 13 58.621 0.028 . 1 . . . . . 262 SER CA . 52055 1 112 . 1 . 1 38 38 SER CB C 13 63.781 0.006 . 1 . . . . . 262 SER CB . 52055 1 113 . 1 . 1 38 38 SER N N 15 117.162 0.005 . 1 . . . . . 262 SER N . 52055 1 114 . 1 . 1 39 39 ASP H H 1 8.169 0.000 . 1 . . . . . 263 ASP H . 52055 1 115 . 1 . 1 39 39 ASP C C 13 175.897 0.007 . 1 . . . . . 263 ASP C . 52055 1 116 . 1 . 1 39 39 ASP CA C 13 54.535 0.021 . 1 . . . . . 263 ASP CA . 52055 1 117 . 1 . 1 39 39 ASP CB C 13 41.079 0.011 . 1 . . . . . 263 ASP CB . 52055 1 118 . 1 . 1 39 39 ASP N N 15 122.302 0.007 . 1 . . . . . 263 ASP N . 52055 1 119 . 1 . 1 40 40 ILE H H 1 7.902 0.000 . 1 . . . . . 264 ILE H . 52055 1 120 . 1 . 1 40 40 ILE C C 13 176.073 0.004 . 1 . . . . . 264 ILE C . 52055 1 121 . 1 . 1 40 40 ILE CA C 13 60.981 0.020 . 1 . . . . . 264 ILE CA . 52055 1 122 . 1 . 1 40 40 ILE CB C 13 38.781 0.057 . 1 . . . . . 264 ILE CB . 52055 1 123 . 1 . 1 40 40 ILE N N 15 120.107 0.009 . 1 . . . . . 264 ILE N . 52055 1 124 . 1 . 1 41 41 SER H H 1 8.300 0.001 . 1 . . . . . 265 SER H . 52055 1 125 . 1 . 1 41 41 SER C C 13 172.648 0.000 . 1 . . . . . 265 SER C . 52055 1 126 . 1 . 1 41 41 SER CA C 13 56.441 0.070 . 1 . . . . . 265 SER CA . 52055 1 127 . 1 . 1 41 41 SER CB C 13 63.318 0.004 . 1 . . . . . 265 SER CB . 52055 1 128 . 1 . 1 41 41 SER N N 15 121.363 0.016 . 1 . . . . . 265 SER N . 52055 1 129 . 1 . 1 42 42 PRO C C 13 176.924 0.000 . 1 . . . . . 266 PRO C . 52055 1 130 . 1 . 1 42 42 PRO CA C 13 63.345 0.000 . 1 . . . . . 266 PRO CA . 52055 1 131 . 1 . 1 42 42 PRO CB C 13 32.054 0.000 . 1 . . . . . 266 PRO CB . 52055 1 132 . 1 . 1 43 43 VAL H H 1 8.081 0.001 . 1 . . . . . 267 VAL H . 52055 1 133 . 1 . 1 43 43 VAL C C 13 176.199 0.009 . 1 . . . . . 267 VAL C . 52055 1 134 . 1 . 1 43 43 VAL CA C 13 62.190 0.094 . 1 . . . . . 267 VAL CA . 52055 1 135 . 1 . 1 43 43 VAL CB C 13 32.729 0.088 . 1 . . . . . 267 VAL CB . 52055 1 136 . 1 . 1 43 43 VAL N N 15 119.819 0.012 . 1 . . . . . 267 VAL N . 52055 1 137 . 1 . 1 44 44 SER H H 1 8.278 0.001 . 1 . . . . . 268 SER H . 52055 1 138 . 1 . 1 44 44 SER C C 13 174.335 0.003 . 1 . . . . . 268 SER C . 52055 1 139 . 1 . 1 44 44 SER CA C 13 58.023 0.035 . 1 . . . . . 268 SER CA . 52055 1 140 . 1 . 1 44 44 SER CB C 13 63.918 0.032 . 1 . . . . . 268 SER CB . 52055 1 141 . 1 . 1 44 44 SER N N 15 119.217 0.004 . 1 . . . . . 268 SER N . 52055 1 142 . 1 . 1 45 45 ASN H H 1 8.467 0.001 . 1 . . . . . 269 ASN H . 52055 1 143 . 1 . 1 45 45 ASN C C 13 175.220 0.002 . 1 . . . . . 269 ASN C . 52055 1 144 . 1 . 1 45 45 ASN CA C 13 53.416 0.014 . 1 . . . . . 269 ASN CA . 52055 1 145 . 1 . 1 45 45 ASN CB C 13 38.969 0.003 . 1 . . . . . 269 ASN CB . 52055 1 146 . 1 . 1 45 45 ASN N N 15 121.414 0.019 . 1 . . . . . 269 ASN N . 52055 1 147 . 1 . 1 46 46 GLU H H 1 8.346 0.001 . 1 . . . . . 270 GLU H . 52055 1 148 . 1 . 1 46 46 GLU C C 13 176.667 0.003 . 1 . . . . . 270 GLU C . 52055 1 149 . 1 . 1 46 46 GLU CA C 13 56.993 0.007 . 1 . . . . . 270 GLU CA . 52055 1 150 . 1 . 1 46 46 GLU CB C 13 30.192 0.000 . 1 . . . . . 270 GLU CB . 52055 1 151 . 1 . 1 46 46 GLU N N 15 120.963 0.052 . 1 . . . . . 270 GLU N . 52055 1 152 . 1 . 1 47 47 SER H H 1 8.328 0.001 . 1 . . . . . 271 SER H . 52055 1 153 . 1 . 1 47 47 SER C C 13 174.996 0.003 . 1 . . . . . 271 SER C . 52055 1 154 . 1 . 1 47 47 SER CA C 13 58.622 0.027 . 1 . . . . . 271 SER CA . 52055 1 155 . 1 . 1 47 47 SER CB C 13 63.748 0.024 . 1 . . . . . 271 SER CB . 52055 1 156 . 1 . 1 47 47 SER N N 15 116.641 0.011 . 1 . . . . . 271 SER N . 52055 1 157 . 1 . 1 48 48 THR H H 1 8.108 0.001 . 1 . . . . . 272 THR H . 52055 1 158 . 1 . 1 48 48 THR C C 13 174.765 0.019 . 1 . . . . . 272 THR C . 52055 1 159 . 1 . 1 48 48 THR CA C 13 62.001 0.032 . 1 . . . . . 272 THR CA . 52055 1 160 . 1 . 1 48 48 THR CB C 13 69.700 0.018 . 1 . . . . . 272 THR CB . 52055 1 161 . 1 . 1 48 48 THR N N 15 115.365 0.020 . 1 . . . . . 272 THR N . 52055 1 162 . 1 . 1 49 49 SER H H 1 8.217 0.001 . 1 . . . . . 273 SER H . 52055 1 163 . 1 . 1 49 49 SER C C 13 174.485 0.003 . 1 . . . . . 273 SER C . 52055 1 164 . 1 . 1 49 49 SER CA C 13 58.521 0.012 . 1 . . . . . 273 SER CA . 52055 1 165 . 1 . 1 49 49 SER CB C 13 63.882 0.008 . 1 . . . . . 273 SER CB . 52055 1 166 . 1 . 1 49 49 SER N N 15 117.692 0.005 . 1 . . . . . 273 SER N . 52055 1 167 . 1 . 1 50 50 SER H H 1 8.244 0.001 . 1 . . . . . 274 SER H . 52055 1 168 . 1 . 1 50 50 SER C C 13 174.108 0.003 . 1 . . . . . 274 SER C . 52055 1 169 . 1 . 1 50 50 SER CA C 13 58.376 0.072 . 1 . . . . . 274 SER CA . 52055 1 170 . 1 . 1 50 50 SER CB C 13 63.803 0.000 . 1 . . . . . 274 SER CB . 52055 1 171 . 1 . 1 50 50 SER N N 15 117.637 0.018 . 1 . . . . . 274 SER N . 52055 1 172 . 1 . 1 51 51 SER H H 1 8.212 0.001 . 1 . . . . . 275 SER H . 52055 1 173 . 1 . 1 51 51 SER C C 13 172.595 0.000 . 1 . . . . . 275 SER C . 52055 1 174 . 1 . 1 51 51 SER CA C 13 56.382 0.000 . 1 . . . . . 275 SER CA . 52055 1 175 . 1 . 1 51 51 SER CB C 13 63.472 0.000 . 1 . . . . . 275 SER CB . 52055 1 176 . 1 . 1 51 51 SER N N 15 118.575 0.005 . 1 . . . . . 275 SER N . 52055 1 177 . 1 . 1 52 52 PRO C C 13 177.567 0.000 . 1 . . . . . 276 PRO C . 52055 1 178 . 1 . 1 52 52 PRO CA C 13 63.643 0.000 . 1 . . . . . 276 PRO CA . 52055 1 179 . 1 . 1 52 52 PRO CB C 13 32.062 0.000 . 1 . . . . . 276 PRO CB . 52055 1 180 . 1 . 1 53 53 GLY H H 1 8.400 0.004 . 1 . . . . . 277 GLY H . 52055 1 181 . 1 . 1 53 53 GLY C C 13 174.233 0.001 . 1 . . . . . 277 GLY C . 52055 1 182 . 1 . 1 53 53 GLY CA C 13 45.275 0.013 . 1 . . . . . 277 GLY CA . 52055 1 183 . 1 . 1 53 53 GLY N N 15 109.293 0.020 . 1 . . . . . 277 GLY N . 52055 1 184 . 1 . 1 54 54 LYS H H 1 8.087 0.001 . 1 . . . . . 278 LYS H . 52055 1 185 . 1 . 1 54 54 LYS C C 13 176.695 0.008 . 1 . . . . . 278 LYS C . 52055 1 186 . 1 . 1 54 54 LYS CA C 13 56.233 0.005 . 1 . . . . . 278 LYS CA . 52055 1 187 . 1 . 1 54 54 LYS CB C 13 33.109 0.000 . 1 . . . . . 278 LYS CB . 52055 1 188 . 1 . 1 54 54 LYS N N 15 120.781 0.013 . 1 . . . . . 278 LYS N . 52055 1 189 . 1 . 1 55 55 GLU H H 1 8.504 0.001 . 1 . . . . . 279 GLU H . 52055 1 190 . 1 . 1 55 55 GLU C C 13 176.980 0.000 . 1 . . . . . 279 GLU C . 52055 1 191 . 1 . 1 55 55 GLU CA C 13 57.046 0.009 . 1 . . . . . 279 GLU CA . 52055 1 192 . 1 . 1 55 55 GLU CB C 13 29.872 0.032 . 1 . . . . . 279 GLU CB . 52055 1 193 . 1 . 1 55 55 GLU N N 15 121.785 0.011 . 1 . . . . . 279 GLU N . 52055 1 194 . 1 . 1 56 56 GLY H H 1 8.320 0.004 . 1 . . . . . 280 GLY H . 52055 1 195 . 1 . 1 56 56 GLY C C 13 173.753 0.008 . 1 . . . . . 280 GLY C . 52055 1 196 . 1 . 1 56 56 GLY CA C 13 45.244 0.032 . 1 . . . . . 280 GLY CA . 52055 1 197 . 1 . 1 56 56 GLY N N 15 109.740 0.013 . 1 . . . . . 280 GLY N . 52055 1 198 . 1 . 1 57 57 HIS H H 1 8.119 0.002 . 1 . . . . . 281 HIS H . 52055 1 199 . 1 . 1 57 57 HIS C C 13 174.764 0.000 . 1 . . . . . 281 HIS C . 52055 1 200 . 1 . 1 57 57 HIS CA C 13 55.569 0.000 . 1 . . . . . 281 HIS CA . 52055 1 201 . 1 . 1 57 57 HIS CB C 13 30.401 0.000 . 1 . . . . . 281 HIS CB . 52055 1 202 . 1 . 1 57 57 HIS N N 15 118.660 0.013 . 1 . . . . . 281 HIS N . 52055 1 203 . 1 . 1 58 58 SER H H 1 8.361 0.002 . 1 . . . . . 282 SER H . 52055 1 204 . 1 . 1 58 58 SER C C 13 172.787 0.000 . 1 . . . . . 282 SER C . 52055 1 205 . 1 . 1 58 58 SER CA C 13 56.316 0.000 . 1 . . . . . 282 SER CA . 52055 1 206 . 1 . 1 58 58 SER CB C 13 63.222 0.000 . 1 . . . . . 282 SER CB . 52055 1 207 . 1 . 1 58 58 SER N N 15 119.165 0.015 . 1 . . . . . 282 SER N . 52055 1 208 . 1 . 1 59 59 PRO C C 13 176.988 0.000 . 1 . . . . . 283 PRO C . 52055 1 209 . 1 . 1 59 59 PRO CA C 13 63.192 0.000 . 1 . . . . . 283 PRO CA . 52055 1 210 . 1 . 1 59 59 PRO CB C 13 32.032 0.000 . 1 . . . . . 283 PRO CB . 52055 1 211 . 1 . 1 60 60 GLU H H 1 8.573 0.001 . 1 . . . . . 284 GLU H . 52055 1 212 . 1 . 1 60 60 GLU C C 13 177.119 0.015 . 1 . . . . . 284 GLU C . 52055 1 213 . 1 . 1 60 60 GLU CA C 13 57.068 0.008 . 1 . . . . . 284 GLU CA . 52055 1 214 . 1 . 1 60 60 GLU CB C 13 30.102 0.010 . 1 . . . . . 284 GLU CB . 52055 1 215 . 1 . 1 60 60 GLU N N 15 121.303 0.006 . 1 . . . . . 284 GLU N . 52055 1 216 . 1 . 1 61 61 GLY H H 1 8.330 0.002 . 1 . . . . . 285 GLY H . 52055 1 217 . 1 . 1 61 61 GLY C C 13 174.235 0.000 . 1 . . . . . 285 GLY C . 52055 1 218 . 1 . 1 61 61 GLY CA C 13 45.338 0.011 . 1 . . . . . 285 GLY CA . 52055 1 219 . 1 . 1 61 61 GLY N N 15 110.058 0.016 . 1 . . . . . 285 GLY N . 52055 1 220 . 1 . 1 62 62 SER H H 1 8.097 0.001 . 1 . . . . . 286 SER H . 52055 1 221 . 1 . 1 62 62 SER C C 13 174.786 0.000 . 1 . . . . . 286 SER C . 52055 1 222 . 1 . 1 62 62 SER CA C 13 58.556 0.049 . 1 . . . . . 286 SER CA . 52055 1 223 . 1 . 1 62 62 SER N N 15 115.362 0.017 . 1 . . . . . 286 SER N . 52055 1 224 . 1 . 1 63 63 THR H H 1 8.177 0.001 . 1 . . . . . 287 THR H . 52055 1 225 . 1 . 1 63 63 THR C C 13 174.459 0.006 . 1 . . . . . 287 THR C . 52055 1 226 . 1 . 1 63 63 THR CA C 13 62.194 0.021 . 1 . . . . . 287 THR CA . 52055 1 227 . 1 . 1 63 63 THR CB C 13 69.723 0.024 . 1 . . . . . 287 THR CB . 52055 1 228 . 1 . 1 63 63 THR N N 15 116.261 0.012 . 1 . . . . . 287 THR N . 52055 1 229 . 1 . 1 64 64 VAL H H 1 8.046 0.003 . 1 . . . . . 288 VAL H . 52055 1 230 . 1 . 1 64 64 VAL C C 13 175.928 0.000 . 1 . . . . . 288 VAL C . 52055 1 231 . 1 . 1 64 64 VAL CA C 13 62.346 0.088 . 1 . . . . . 288 VAL CA . 52055 1 232 . 1 . 1 64 64 VAL CB C 13 32.798 0.012 . 1 . . . . . 288 VAL CB . 52055 1 233 . 1 . 1 64 64 VAL N N 15 122.803 0.020 . 1 . . . . . 288 VAL N . 52055 1 234 . 1 . 1 65 65 THR H H 1 8.058 0.001 . 1 . . . . . 289 THR H . 52055 1 235 . 1 . 1 65 65 THR C C 13 173.881 0.003 . 1 . . . . . 289 THR C . 52055 1 236 . 1 . 1 65 65 THR CA C 13 61.756 0.077 . 1 . . . . . 289 THR CA . 52055 1 237 . 1 . 1 65 65 THR CB C 13 69.827 0.060 . 1 . . . . . 289 THR CB . 52055 1 238 . 1 . 1 65 65 THR N N 15 118.012 0.007 . 1 . . . . . 289 THR N . 52055 1 239 . 1 . 1 66 66 TYR H H 1 8.067 0.006 . 1 . . . . . 290 TYR H . 52055 1 240 . 1 . 1 66 66 TYR C C 13 175.227 0.000 . 1 . . . . . 290 TYR C . 52055 1 241 . 1 . 1 66 66 TYR CA C 13 57.769 0.000 . 1 . . . . . 290 TYR CA . 52055 1 242 . 1 . 1 66 66 TYR CB C 13 38.968 0.000 . 1 . . . . . 290 TYR CB . 52055 1 243 . 1 . 1 66 66 TYR N N 15 122.832 0.015 . 1 . . . . . 290 TYR N . 52055 1 244 . 1 . 1 67 67 HIS H H 1 8.200 0.003 . 1 . . . . . 291 HIS H . 52055 1 245 . 1 . 1 67 67 HIS C C 13 174.288 0.000 . 1 . . . . . 291 HIS C . 52055 1 246 . 1 . 1 67 67 HIS CA C 13 55.617 0.000 . 1 . . . . . 291 HIS CA . 52055 1 247 . 1 . 1 67 67 HIS CB C 13 30.186 0.008 . 1 . . . . . 291 HIS CB . 52055 1 248 . 1 . 1 67 67 HIS N N 15 120.970 0.020 . 1 . . . . . 291 HIS N . 52055 1 249 . 1 . 1 68 68 LEU H H 1 8.084 0.002 . 1 . . . . . 292 LEU H . 52055 1 250 . 1 . 1 68 68 LEU CA C 13 55.349 0.000 . 1 . . . . . 292 LEU CA . 52055 1 251 . 1 . 1 68 68 LEU CB C 13 42.290 0.000 . 1 . . . . . 292 LEU CB . 52055 1 252 . 1 . 1 68 68 LEU N N 15 123.645 0.008 . 1 . . . . . 292 LEU N . 52055 1 253 . 1 . 1 69 69 LEU H H 1 8.179 0.001 . 1 . . . . . 293 LEU H . 52055 1 254 . 1 . 1 69 69 LEU C C 13 177.384 0.006 . 1 . . . . . 293 LEU C . 52055 1 255 . 1 . 1 69 69 LEU CA C 13 55.027 0.025 . 1 . . . . . 293 LEU CA . 52055 1 256 . 1 . 1 69 69 LEU CB C 13 42.544 0.040 . 1 . . . . . 293 LEU CB . 52055 1 257 . 1 . 1 69 69 LEU N N 15 122.888 0.010 . 1 . . . . . 293 LEU N . 52055 1 258 . 1 . 1 70 70 GLY H H 1 8.153 0.001 . 1 . . . . . 294 GLY H . 52055 1 259 . 1 . 1 70 70 GLY C C 13 171.746 0.000 . 1 . . . . . 294 GLY C . 52055 1 260 . 1 . 1 70 70 GLY CA C 13 44.529 0.000 . 1 . . . . . 294 GLY CA . 52055 1 261 . 1 . 1 70 70 GLY N N 15 109.671 0.010 . 1 . . . . . 294 GLY N . 52055 1 262 . 1 . 1 71 71 PRO C C 13 177.299 0.000 . 1 . . . . . 295 PRO C . 52055 1 263 . 1 . 1 71 71 PRO CA C 13 63.473 0.000 . 1 . . . . . 295 PRO CA . 52055 1 264 . 1 . 1 71 71 PRO CB C 13 32.039 0.000 . 1 . . . . . 295 PRO CB . 52055 1 265 . 1 . 1 72 72 GLN H H 1 8.476 0.001 . 1 . . . . . 296 GLN H . 52055 1 266 . 1 . 1 72 72 GLN C C 13 176.010 0.002 . 1 . . . . . 296 GLN C . 52055 1 267 . 1 . 1 72 72 GLN CA C 13 55.880 0.000 . 1 . . . . . 296 GLN CA . 52055 1 268 . 1 . 1 72 72 GLN CB C 13 29.520 0.000 . 1 . . . . . 296 GLN CB . 52055 1 269 . 1 . 1 72 72 GLN N N 15 120.298 0.005 . 1 . . . . . 296 GLN N . 52055 1 270 . 1 . 1 73 73 GLU H H 1 8.299 0.001 . 1 . . . . . 297 GLU H . 52055 1 271 . 1 . 1 73 73 GLU C C 13 176.428 0.000 . 1 . . . . . 297 GLU C . 52055 1 272 . 1 . 1 73 73 GLU CA C 13 56.430 0.000 . 1 . . . . . 297 GLU CA . 52055 1 273 . 1 . 1 73 73 GLU CB C 13 30.456 0.000 . 1 . . . . . 297 GLU CB . 52055 1 274 . 1 . 1 73 73 GLU N N 15 121.859 0.020 . 1 . . . . . 297 GLU N . 52055 1 275 . 1 . 1 75 75 GLY H H 1 8.325 0.001 . 1 . . . . . 299 GLY H . 52055 1 276 . 1 . 1 75 75 GLY C C 13 174.057 0.013 . 1 . . . . . 299 GLY C . 52055 1 277 . 1 . 1 75 75 GLY CA C 13 45.245 0.027 . 1 . . . . . 299 GLY CA . 52055 1 278 . 1 . 1 75 75 GLY N N 15 109.771 0.020 . 1 . . . . . 299 GLY N . 52055 1 279 . 1 . 1 76 76 GLU H H 1 8.250 0.002 . 1 . . . . . 300 GLU H . 52055 1 280 . 1 . 1 76 76 GLU C C 13 177.054 0.005 . 1 . . . . . 300 GLU C . 52055 1 281 . 1 . 1 76 76 GLU CA C 13 56.625 0.073 . 1 . . . . . 300 GLU CA . 52055 1 282 . 1 . 1 76 76 GLU CB C 13 30.394 0.027 . 1 . . . . . 300 GLU CB . 52055 1 283 . 1 . 1 76 76 GLU N N 15 120.522 0.007 . 1 . . . . . 300 GLU N . 52055 1 284 . 1 . 1 77 77 GLY H H 1 8.417 0.001 . 1 . . . . . 301 GLY H . 52055 1 285 . 1 . 1 77 77 GLY C C 13 173.898 0.003 . 1 . . . . . 301 GLY C . 52055 1 286 . 1 . 1 77 77 GLY CA C 13 45.324 0.006 . 1 . . . . . 301 GLY CA . 52055 1 287 . 1 . 1 77 77 GLY N N 15 110.027 0.004 . 1 . . . . . 301 GLY N . 52055 1 288 . 1 . 1 78 78 VAL H H 1 7.894 0.004 . 1 . . . . . 302 VAL H . 52055 1 289 . 1 . 1 78 78 VAL C C 13 176.199 0.000 . 1 . . . . . 302 VAL C . 52055 1 290 . 1 . 1 78 78 VAL CA C 13 62.409 0.081 . 1 . . . . . 302 VAL CA . 52055 1 291 . 1 . 1 78 78 VAL CB C 13 32.546 0.000 . 1 . . . . . 302 VAL CB . 52055 1 292 . 1 . 1 78 78 VAL N N 15 119.716 0.004 . 1 . . . . . 302 VAL N . 52055 1 293 . 1 . 1 79 79 VAL H H 1 8.134 0.002 . 1 . . . . . 303 VAL H . 52055 1 294 . 1 . 1 79 79 VAL C C 13 175.572 0.001 . 1 . . . . . 303 VAL C . 52055 1 295 . 1 . 1 79 79 VAL CA C 13 62.139 0.043 . 1 . . . . . 303 VAL CA . 52055 1 296 . 1 . 1 79 79 VAL CB C 13 33.000 0.028 . 1 . . . . . 303 VAL CB . 52055 1 297 . 1 . 1 79 79 VAL N N 15 124.004 0.002 . 1 . . . . . 303 VAL N . 52055 1 298 . 1 . 1 80 80 ASP H H 1 8.343 0.002 . 1 . . . . . 304 ASP H . 52055 1 299 . 1 . 1 80 80 ASP C C 13 176.298 0.006 . 1 . . . . . 304 ASP C . 52055 1 300 . 1 . 1 80 80 ASP CA C 13 53.917 0.007 . 1 . . . . . 304 ASP CA . 52055 1 301 . 1 . 1 80 80 ASP CB C 13 41.305 0.006 . 1 . . . . . 304 ASP CB . 52055 1 302 . 1 . 1 80 80 ASP N N 15 124.727 0.005 . 1 . . . . . 304 ASP N . 52055 1 303 . 1 . 1 81 81 VAL H H 1 8.065 0.001 . 1 . . . . . 305 VAL H . 52055 1 304 . 1 . 1 81 81 VAL C C 13 176.547 0.013 . 1 . . . . . 305 VAL C . 52055 1 305 . 1 . 1 81 81 VAL CA C 13 62.662 0.008 . 1 . . . . . 305 VAL CA . 52055 1 306 . 1 . 1 81 81 VAL CB C 13 32.364 0.022 . 1 . . . . . 305 VAL CB . 52055 1 307 . 1 . 1 81 81 VAL N N 15 121.017 0.008 . 1 . . . . . 305 VAL N . 52055 1 308 . 1 . 1 82 82 LYS H H 1 8.301 0.001 . 1 . . . . . 306 LYS H . 52055 1 309 . 1 . 1 82 82 LYS C C 13 177.328 0.006 . 1 . . . . . 306 LYS C . 52055 1 310 . 1 . 1 82 82 LYS CA C 13 56.772 0.049 . 1 . . . . . 306 LYS CA . 52055 1 311 . 1 . 1 82 82 LYS CB C 13 32.522 0.019 . 1 . . . . . 306 LYS CB . 52055 1 312 . 1 . 1 82 82 LYS N N 15 123.891 0.007 . 1 . . . . . 306 LYS N . 52055 1 313 . 1 . 1 83 83 GLY H H 1 8.253 0.001 . 1 . . . . . 307 GLY H . 52055 1 314 . 1 . 1 83 83 GLY C C 13 174.022 0.000 . 1 . . . . . 307 GLY C . 52055 1 315 . 1 . 1 83 83 GLY CA C 13 45.438 0.000 . 1 . . . . . 307 GLY CA . 52055 1 316 . 1 . 1 83 83 GLY N N 15 109.272 0.021 . 1 . . . . . 307 GLY N . 52055 1 317 . 1 . 1 84 84 GLN H H 1 8.066 0.000 . 1 . . . . . 308 GLN H . 52055 1 318 . 1 . 1 84 84 GLN C C 13 175.923 0.000 . 1 . . . . . 308 GLN C . 52055 1 319 . 1 . 1 84 84 GLN CA C 13 55.781 0.040 . 1 . . . . . 308 GLN CA . 52055 1 320 . 1 . 1 84 84 GLN CB C 13 29.631 0.014 . 1 . . . . . 308 GLN CB . 52055 1 321 . 1 . 1 84 84 GLN N N 15 119.856 0.003 . 1 . . . . . 308 GLN N . 52055 1 322 . 1 . 1 85 85 VAL H H 1 8.130 0.002 . 1 . . . . . 309 VAL H . 52055 1 323 . 1 . 1 85 85 VAL C C 13 175.918 0.000 . 1 . . . . . 309 VAL C . 52055 1 324 . 1 . 1 85 85 VAL CA C 13 62.410 0.005 . 1 . . . . . 309 VAL CA . 52055 1 325 . 1 . 1 85 85 VAL CB C 13 32.726 0.017 . 1 . . . . . 309 VAL CB . 52055 1 326 . 1 . 1 85 85 VAL N N 15 122.026 0.003 . 1 . . . . . 309 VAL N . 52055 1 327 . 1 . 1 86 86 ARG H H 1 8.372 0.001 . 1 . . . . . 310 ARG H . 52055 1 328 . 1 . 1 86 86 ARG C C 13 175.904 0.000 . 1 . . . . . 310 ARG C . 52055 1 329 . 1 . 1 86 86 ARG CA C 13 55.923 0.024 . 1 . . . . . 310 ARG CA . 52055 1 330 . 1 . 1 86 86 ARG CB C 13 30.898 0.013 . 1 . . . . . 310 ARG CB . 52055 1 331 . 1 . 1 86 86 ARG N N 15 125.499 0.005 . 1 . . . . . 310 ARG N . 52055 1 332 . 1 . 1 87 87 MET H H 1 8.399 0.001 . 1 . . . . . 311 MET H . 52055 1 333 . 1 . 1 87 87 MET C C 13 175.926 0.000 . 1 . . . . . 311 MET C . 52055 1 334 . 1 . 1 87 87 MET CA C 13 55.424 0.000 . 1 . . . . . 311 MET CA . 52055 1 335 . 1 . 1 87 87 MET CB C 13 33.051 0.000 . 1 . . . . . 311 MET CB . 52055 1 336 . 1 . 1 87 87 MET N N 15 122.794 0.021 . 1 . . . . . 311 MET N . 52055 1 337 . 1 . 1 88 88 GLU H H 1 8.435 0.001 . 1 . . . . . 312 GLU H . 52055 1 338 . 1 . 1 88 88 GLU C C 13 176.235 0.003 . 1 . . . . . 312 GLU C . 52055 1 339 . 1 . 1 88 88 GLU CA C 13 56.491 0.010 . 1 . . . . . 312 GLU CA . 52055 1 340 . 1 . 1 88 88 GLU CB C 13 30.338 0.000 . 1 . . . . . 312 GLU CB . 52055 1 341 . 1 . 1 88 88 GLU N N 15 122.695 0.010 . 1 . . . . . 312 GLU N . 52055 1 342 . 1 . 1 89 89 VAL H H 1 8.160 0.002 . 1 . . . . . 313 VAL H . 52055 1 343 . 1 . 1 89 89 VAL C C 13 176.017 0.001 . 1 . . . . . 313 VAL C . 52055 1 344 . 1 . 1 89 89 VAL CA C 13 62.252 0.000 . 1 . . . . . 313 VAL CA . 52055 1 345 . 1 . 1 89 89 VAL CB C 13 32.838 0.000 . 1 . . . . . 313 VAL CB . 52055 1 346 . 1 . 1 89 89 VAL N N 15 121.581 0.022 . 1 . . . . . 313 VAL N . 52055 1 347 . 1 . 1 90 90 GLN H H 1 8.446 0.001 . 1 . . . . . 314 GLN H . 52055 1 348 . 1 . 1 90 90 GLN C C 13 176.321 0.004 . 1 . . . . . 314 GLN C . 52055 1 349 . 1 . 1 90 90 GLN CA C 13 56.030 0.014 . 1 . . . . . 314 GLN CA . 52055 1 350 . 1 . 1 90 90 GLN CB C 13 29.593 0.008 . 1 . . . . . 314 GLN CB . 52055 1 351 . 1 . 1 90 90 GLN N N 15 124.729 0.037 . 1 . . . . . 314 GLN N . 52055 1 352 . 1 . 1 91 91 GLY H H 1 8.439 0.001 . 1 . . . . . 315 GLY H . 52055 1 353 . 1 . 1 91 91 GLY C C 13 174.026 0.000 . 1 . . . . . 315 GLY C . 52055 1 354 . 1 . 1 91 91 GLY CA C 13 45.235 0.008 . 1 . . . . . 315 GLY CA . 52055 1 355 . 1 . 1 91 91 GLY N N 15 110.965 0.002 . 1 . . . . . 315 GLY N . 52055 1 356 . 1 . 1 94 94 GLU H H 1 8.343 0.001 . 1 . . . . . 318 GLU H . 52055 1 357 . 1 . 1 94 94 GLU C C 13 176.202 0.003 . 1 . . . . . 318 GLU C . 52055 1 358 . 1 . 1 94 94 GLU CA C 13 56.425 0.048 . 1 . . . . . 318 GLU CA . 52055 1 359 . 1 . 1 94 94 GLU CB C 13 30.318 0.051 . 1 . . . . . 318 GLU CB . 52055 1 360 . 1 . 1 94 94 GLU N N 15 122.367 0.023 . 1 . . . . . 318 GLU N . 52055 1 361 . 1 . 1 95 95 LYS H H 1 8.283 0.001 . 1 . . . . . 319 LYS H . 52055 1 362 . 1 . 1 95 95 LYS C C 13 176.273 0.013 . 1 . . . . . 319 LYS C . 52055 1 363 . 1 . 1 95 95 LYS CA C 13 56.212 0.000 . 1 . . . . . 319 LYS CA . 52055 1 364 . 1 . 1 95 95 LYS CB C 13 32.947 0.000 . 1 . . . . . 319 LYS CB . 52055 1 365 . 1 . 1 95 95 LYS N N 15 123.427 0.007 . 1 . . . . . 319 LYS N . 52055 1 366 . 1 . 1 96 96 ARG H H 1 8.369 0.002 . 1 . . . . . 320 ARG H . 52055 1 367 . 1 . 1 96 96 ARG C C 13 176.250 0.008 . 1 . . . . . 320 ARG C . 52055 1 368 . 1 . 1 96 96 ARG CA C 13 55.965 0.003 . 1 . . . . . 320 ARG CA . 52055 1 369 . 1 . 1 96 96 ARG CB C 13 31.018 0.015 . 1 . . . . . 320 ARG CB . 52055 1 370 . 1 . 1 96 96 ARG N N 15 123.713 0.011 . 1 . . . . . 320 ARG N . 52055 1 371 . 1 . 1 97 97 GLU H H 1 8.522 0.001 . 1 . . . . . 321 GLU H . 52055 1 372 . 1 . 1 97 97 GLU C C 13 175.964 0.000 . 1 . . . . . 321 GLU C . 52055 1 373 . 1 . 1 97 97 GLU CA C 13 56.478 0.000 . 1 . . . . . 321 GLU CA . 52055 1 374 . 1 . 1 97 97 GLU CB C 13 30.389 0.000 . 1 . . . . . 321 GLU CB . 52055 1 375 . 1 . 1 97 97 GLU N N 15 122.544 0.002 . 1 . . . . . 321 GLU N . 52055 1 376 . 1 . 1 99 99 LYS H H 1 8.134 0.001 . 1 . . . . . 323 LYS H . 52055 1 377 . 1 . 1 99 99 LYS C C 13 176.409 0.000 . 1 . . . . . 323 LYS C . 52055 1 378 . 1 . 1 99 99 LYS CA C 13 55.922 0.046 . 1 . . . . . 323 LYS CA . 52055 1 379 . 1 . 1 99 99 LYS CB C 13 33.333 0.008 . 1 . . . . . 323 LYS CB . 52055 1 380 . 1 . 1 99 99 LYS N N 15 121.517 0.039 . 1 . . . . . 323 LYS N . 52055 1 381 . 1 . 1 100 100 GLU H H 1 8.475 0.002 . 1 . . . . . 324 GLU H . 52055 1 382 . 1 . 1 100 100 GLU C C 13 176.228 0.000 . 1 . . . . . 324 GLU C . 52055 1 383 . 1 . 1 100 100 GLU CA C 13 56.467 0.000 . 1 . . . . . 324 GLU CA . 52055 1 384 . 1 . 1 100 100 GLU CB C 13 30.236 0.000 . 1 . . . . . 324 GLU CB . 52055 1 385 . 1 . 1 100 100 GLU N N 15 122.666 0.007 . 1 . . . . . 324 GLU N . 52055 1 386 . 1 . 1 104 104 ASP H H 1 8.348 0.000 . 1 . . . . . 328 ASP H . 52055 1 387 . 1 . 1 104 104 ASP C C 13 176.259 0.000 . 1 . . . . . 328 ASP C . 52055 1 388 . 1 . 1 104 104 ASP CA C 13 54.184 0.001 . 1 . . . . . 328 ASP CA . 52055 1 389 . 1 . 1 104 104 ASP CB C 13 40.984 0.010 . 1 . . . . . 328 ASP CB . 52055 1 390 . 1 . 1 104 104 ASP N N 15 121.326 0.005 . 1 . . . . . 328 ASP N . 52055 1 391 . 1 . 1 105 105 GLU H H 1 8.182 0.001 . 1 . . . . . 329 GLU H . 52055 1 392 . 1 . 1 105 105 GLU C C 13 176.425 0.003 . 1 . . . . . 329 GLU C . 52055 1 393 . 1 . 1 105 105 GLU CA C 13 56.527 0.000 . 1 . . . . . 329 GLU CA . 52055 1 394 . 1 . 1 105 105 GLU CB C 13 30.405 0.000 . 1 . . . . . 329 GLU CB . 52055 1 395 . 1 . 1 105 105 GLU N N 15 121.682 0.033 . 1 . . . . . 329 GLU N . 52055 1 396 . 1 . 1 106 106 GLU H H 1 8.395 0.001 . 1 . . . . . 330 GLU H . 52055 1 397 . 1 . 1 106 106 GLU C C 13 176.893 0.000 . 1 . . . . . 330 GLU C . 52055 1 398 . 1 . 1 106 106 GLU CA C 13 56.858 0.000 . 1 . . . . . 330 GLU CA . 52055 1 399 . 1 . 1 106 106 GLU CB C 13 30.488 0.000 . 1 . . . . . 330 GLU CB . 52055 1 400 . 1 . 1 106 106 GLU N N 15 121.806 0.004 . 1 . . . . . 330 GLU N . 52055 1 401 . 1 . 1 109 109 ASP CA C 13 54.415 0.000 . 1 . . . . . 333 ASP CA . 52055 1 402 . 1 . 1 109 109 ASP CB C 13 41.074 0.000 . 1 . . . . . 333 ASP CB . 52055 1 403 . 1 . 1 110 110 VAL H H 1 7.913 0.002 . 1 . . . . . 334 VAL H . 52055 1 404 . 1 . 1 110 110 VAL C C 13 176.227 0.002 . 1 . . . . . 334 VAL C . 52055 1 405 . 1 . 1 110 110 VAL CA C 13 62.296 0.015 . 1 . . . . . 334 VAL CA . 52055 1 406 . 1 . 1 110 110 VAL CB C 13 32.471 0.029 . 1 . . . . . 334 VAL CB . 52055 1 407 . 1 . 1 110 110 VAL N N 15 119.743 0.019 . 1 . . . . . 334 VAL N . 52055 1 408 . 1 . 1 111 111 SER H H 1 8.247 0.001 . 1 . . . . . 335 SER H . 52055 1 409 . 1 . 1 111 111 SER C C 13 174.392 0.000 . 1 . . . . . 335 SER C . 52055 1 410 . 1 . 1 111 111 SER CA C 13 58.633 0.013 . 1 . . . . . 335 SER CA . 52055 1 411 . 1 . 1 111 111 SER CB C 13 63.700 0.007 . 1 . . . . . 335 SER CB . 52055 1 412 . 1 . 1 111 111 SER N N 15 118.538 0.014 . 1 . . . . . 335 SER N . 52055 1 413 . 1 . 1 112 112 HIS H H 1 8.368 0.002 . 1 . . . . . 336 HIS H . 52055 1 414 . 1 . 1 112 112 HIS C C 13 174.388 0.009 . 1 . . . . . 336 HIS C . 52055 1 415 . 1 . 1 112 112 HIS CA C 13 55.471 0.064 . 1 . . . . . 336 HIS CA . 52055 1 416 . 1 . 1 112 112 HIS CB C 13 29.258 0.010 . 1 . . . . . 336 HIS CB . 52055 1 417 . 1 . 1 112 112 HIS N N 15 121.261 0.017 . 1 . . . . . 336 HIS N . 52055 1 418 . 1 . 1 113 113 VAL H H 1 7.989 0.001 . 1 . . . . . 337 VAL H . 52055 1 419 . 1 . 1 113 113 VAL C C 13 175.577 0.000 . 1 . . . . . 337 VAL C . 52055 1 420 . 1 . 1 113 113 VAL CA C 13 62.296 0.000 . 1 . . . . . 337 VAL CA . 52055 1 421 . 1 . 1 113 113 VAL CB C 13 32.923 0.058 . 1 . . . . . 337 VAL CB . 52055 1 422 . 1 . 1 113 113 VAL N N 15 121.755 0.010 . 1 . . . . . 337 VAL N . 52055 1 423 . 1 . 1 118 118 CYS H H 1 8.236 0.000 . 1 . . . . . 342 CYS H . 52055 1 424 . 1 . 1 118 118 CYS C C 13 174.941 0.003 . 1 . . . . . 342 CYS C . 52055 1 425 . 1 . 1 118 118 CYS CA C 13 58.816 0.009 . 1 . . . . . 342 CYS CA . 52055 1 426 . 1 . 1 118 118 CYS CB C 13 27.727 0.007 . 1 . . . . . 342 CYS CB . 52055 1 427 . 1 . 1 118 118 CYS N N 15 119.416 0.003 . 1 . . . . . 342 CYS N . 52055 1 428 . 1 . 1 119 119 LEU H H 1 8.256 0.000 . 1 . . . . . 343 LEU H . 52055 1 429 . 1 . 1 119 119 LEU C C 13 178.043 0.003 . 1 . . . . . 343 LEU C . 52055 1 430 . 1 . 1 119 119 LEU CA C 13 55.883 0.013 . 1 . . . . . 343 LEU CA . 52055 1 431 . 1 . 1 119 119 LEU CB C 13 42.094 0.017 . 1 . . . . . 343 LEU CB . 52055 1 432 . 1 . 1 119 119 LEU N N 15 123.380 0.021 . 1 . . . . . 343 LEU N . 52055 1 433 . 1 . 1 120 120 GLY H H 1 8.253 0.002 . 1 . . . . . 344 GLY H . 52055 1 434 . 1 . 1 120 120 GLY C C 13 174.292 0.005 . 1 . . . . . 344 GLY C . 52055 1 435 . 1 . 1 120 120 GLY CA C 13 45.511 0.040 . 1 . . . . . 344 GLY CA . 52055 1 436 . 1 . 1 120 120 GLY N N 15 109.146 0.042 . 1 . . . . . 344 GLY N . 52055 1 437 . 1 . 1 121 121 VAL H H 1 7.805 0.001 . 1 . . . . . 345 VAL H . 52055 1 438 . 1 . 1 121 121 VAL C C 13 176.221 0.004 . 1 . . . . . 345 VAL C . 52055 1 439 . 1 . 1 121 121 VAL CA C 13 62.397 0.000 . 1 . . . . . 345 VAL CA . 52055 1 440 . 1 . 1 121 121 VAL CB C 13 32.690 0.001 . 1 . . . . . 345 VAL CB . 52055 1 441 . 1 . 1 121 121 VAL N N 15 119.211 0.004 . 1 . . . . . 345 VAL N . 52055 1 442 . 1 . 1 122 122 GLN H H 1 8.426 0.001 . 1 . . . . . 346 GLN H . 52055 1 443 . 1 . 1 122 122 GLN C C 13 175.936 0.007 . 1 . . . . . 346 GLN C . 52055 1 444 . 1 . 1 122 122 GLN CA C 13 55.864 0.000 . 1 . . . . . 346 GLN CA . 52055 1 445 . 1 . 1 122 122 GLN CB C 13 29.220 0.030 . 1 . . . . . 346 GLN CB . 52055 1 446 . 1 . 1 122 122 GLN N N 15 124.063 0.011 . 1 . . . . . 346 GLN N . 52055 1 447 . 1 . 1 123 123 ARG H H 1 8.321 0.002 . 1 . . . . . 347 ARG H . 52055 1 448 . 1 . 1 123 123 ARG C C 13 176.433 0.000 . 1 . . . . . 347 ARG C . 52055 1 449 . 1 . 1 123 123 ARG CA C 13 56.176 0.000 . 1 . . . . . 347 ARG CA . 52055 1 450 . 1 . 1 123 123 ARG CB C 13 31.031 0.000 . 1 . . . . . 347 ARG CB . 52055 1 451 . 1 . 1 123 123 ARG N N 15 122.841 0.011 . 1 . . . . . 347 ARG N . 52055 1 452 . 1 . 1 124 124 GLU H H 1 8.484 0.002 . 1 . . . . . 348 GLU H . 52055 1 453 . 1 . 1 124 124 GLU C C 13 176.078 0.000 . 1 . . . . . 348 GLU C . 52055 1 454 . 1 . 1 124 124 GLU CA C 13 56.558 0.000 . 1 . . . . . 348 GLU CA . 52055 1 455 . 1 . 1 124 124 GLU CB C 13 30.330 0.000 . 1 . . . . . 348 GLU CB . 52055 1 456 . 1 . 1 124 124 GLU N N 15 121.938 0.004 . 1 . . . . . 348 GLU N . 52055 1 457 . 1 . 1 125 125 ASP H H 1 8.352 0.001 . 1 . . . . . 349 ASP H . 52055 1 458 . 1 . 1 125 125 ASP C C 13 175.952 0.000 . 1 . . . . . 349 ASP C . 52055 1 459 . 1 . 1 125 125 ASP CA C 13 54.214 0.000 . 1 . . . . . 349 ASP CA . 52055 1 460 . 1 . 1 125 125 ASP CB C 13 41.389 0.000 . 1 . . . . . 349 ASP CB . 52055 1 461 . 1 . 1 125 125 ASP N N 15 122.280 0.030 . 1 . . . . . 349 ASP N . 52055 1 462 . 1 . 1 128 128 GLY H H 1 8.376 0.001 . 1 . . . . . 352 GLY H . 52055 1 463 . 1 . 1 128 128 GLY C C 13 174.703 0.000 . 1 . . . . . 352 GLY C . 52055 1 464 . 1 . 1 128 128 GLY CA C 13 45.272 0.052 . 1 . . . . . 352 GLY CA . 52055 1 465 . 1 . 1 128 128 GLY N N 15 109.595 0.018 . 1 . . . . . 352 GLY N . 52055 1 466 . 1 . 1 129 129 GLY H H 1 8.226 0.001 . 1 . . . . . 353 GLY H . 52055 1 467 . 1 . 1 129 129 GLY C C 13 174.172 0.003 . 1 . . . . . 353 GLY C . 52055 1 468 . 1 . 1 129 129 GLY CA C 13 45.359 0.002 . 1 . . . . . 353 GLY CA . 52055 1 469 . 1 . 1 129 129 GLY N N 15 108.955 0.210 . 1 . . . . . 353 GLY N . 52055 1 470 . 1 . 1 130 130 ASP H H 1 8.255 0.001 . 1 . . . . . 354 ASP H . 52055 1 471 . 1 . 1 130 130 ASP C C 13 177.000 0.005 . 1 . . . . . 354 ASP C . 52055 1 472 . 1 . 1 130 130 ASP CA C 13 54.474 0.020 . 1 . . . . . 354 ASP CA . 52055 1 473 . 1 . 1 130 130 ASP CB C 13 41.195 0.018 . 1 . . . . . 354 ASP CB . 52055 1 474 . 1 . 1 130 130 ASP N N 15 120.145 0.008 . 1 . . . . . 354 ASP N . 52055 1 475 . 1 . 1 131 131 GLY H H 1 8.362 0.000 . 1 . . . . . 355 GLY H . 52055 1 476 . 1 . 1 131 131 GLY C C 13 174.279 0.000 . 1 . . . . . 355 GLY C . 52055 1 477 . 1 . 1 131 131 GLY CA C 13 45.563 0.001 . 1 . . . . . 355 GLY CA . 52055 1 478 . 1 . 1 131 131 GLY N N 15 109.068 0.008 . 1 . . . . . 355 GLY N . 52055 1 479 . 1 . 1 132 132 GLN H H 1 8.116 0.000 . 1 . . . . . 356 GLN H . 52055 1 480 . 1 . 1 132 132 GLN C C 13 176.147 0.000 . 1 . . . . . 356 GLN C . 52055 1 481 . 1 . 1 132 132 GLN CA C 13 55.971 0.000 . 1 . . . . . 356 GLN CA . 52055 1 482 . 1 . 1 132 132 GLN CB C 13 29.421 0.000 . 1 . . . . . 356 GLN CB . 52055 1 483 . 1 . 1 132 132 GLN N N 15 119.764 0.005 . 1 . . . . . 356 GLN N . 52055 1 484 . 1 . 1 136 136 GLN H H 1 8.297 0.001 . 1 . . . . . 360 GLN H . 52055 1 485 . 1 . 1 136 136 GLN C C 13 176.308 0.021 . 1 . . . . . 360 GLN C . 52055 1 486 . 1 . 1 136 136 GLN CA C 13 56.219 0.000 . 1 . . . . . 360 GLN CA . 52055 1 487 . 1 . 1 136 136 GLN CB C 13 29.046 0.013 . 1 . . . . . 360 GLN CB . 52055 1 488 . 1 . 1 136 136 GLN N N 15 120.737 0.014 . 1 . . . . . 360 GLN N . 52055 1 489 . 1 . 1 137 137 VAL H H 1 7.936 0.001 . 1 . . . . . 361 VAL H . 52055 1 490 . 1 . 1 137 137 VAL C C 13 176.559 0.005 . 1 . . . . . 361 VAL C . 52055 1 491 . 1 . 1 137 137 VAL CA C 13 63.141 0.014 . 1 . . . . . 361 VAL CA . 52055 1 492 . 1 . 1 137 137 VAL CB C 13 32.667 0.011 . 1 . . . . . 361 VAL CB . 52055 1 493 . 1 . 1 137 137 VAL N N 15 120.734 0.005 . 1 . . . . . 361 VAL N . 52055 1 494 . 1 . 1 138 138 GLU H H 1 8.354 0.001 . 1 . . . . . 362 GLU H . 52055 1 495 . 1 . 1 138 138 GLU C C 13 176.750 0.011 . 1 . . . . . 362 GLU C . 52055 1 496 . 1 . 1 138 138 GLU CA C 13 57.168 0.000 . 1 . . . . . 362 GLU CA . 52055 1 497 . 1 . 1 138 138 GLU CB C 13 30.048 0.005 . 1 . . . . . 362 GLU CB . 52055 1 498 . 1 . 1 138 138 GLU N N 15 123.656 0.004 . 1 . . . . . 362 GLU N . 52055 1 499 . 1 . 1 139 139 LYS H H 1 8.140 0.002 . 1 . . . . . 363 LYS H . 52055 1 500 . 1 . 1 139 139 LYS C C 13 176.620 0.013 . 1 . . . . . 363 LYS C . 52055 1 501 . 1 . 1 139 139 LYS CA C 13 56.719 0.018 . 1 . . . . . 363 LYS CA . 52055 1 502 . 1 . 1 139 139 LYS CB C 13 32.803 0.011 . 1 . . . . . 363 LYS CB . 52055 1 503 . 1 . 1 139 139 LYS N N 15 121.813 0.020 . 1 . . . . . 363 LYS N . 52055 1 504 . 1 . 1 140 140 LEU H H 1 7.981 0.001 . 1 . . . . . 364 LEU H . 52055 1 505 . 1 . 1 140 140 LEU C C 13 177.173 0.001 . 1 . . . . . 364 LEU C . 52055 1 506 . 1 . 1 140 140 LEU CA C 13 55.195 0.012 . 1 . . . . . 364 LEU CA . 52055 1 507 . 1 . 1 140 140 LEU CB C 13 42.284 0.035 . 1 . . . . . 364 LEU CB . 52055 1 508 . 1 . 1 140 140 LEU N N 15 122.092 0.012 . 1 . . . . . 364 LEU N . 52055 1 509 . 1 . 1 141 141 ARG H H 1 8.120 0.002 . 1 . . . . . 365 ARG H . 52055 1 510 . 1 . 1 141 141 ARG C C 13 175.933 0.001 . 1 . . . . . 365 ARG C . 52055 1 511 . 1 . 1 141 141 ARG CA C 13 56.002 0.045 . 1 . . . . . 365 ARG CA . 52055 1 512 . 1 . 1 141 141 ARG CB C 13 30.750 0.000 . 1 . . . . . 365 ARG CB . 52055 1 513 . 1 . 1 141 141 ARG N N 15 122.015 0.018 . 1 . . . . . 365 ARG N . 52055 1 514 . 1 . 1 142 142 ARG H H 1 8.268 0.001 . 1 . . . . . 366 ARG H . 52055 1 515 . 1 . 1 142 142 ARG C C 13 174.226 0.000 . 1 . . . . . 366 ARG C . 52055 1 516 . 1 . 1 142 142 ARG CA C 13 53.926 0.000 . 1 . . . . . 366 ARG CA . 52055 1 517 . 1 . 1 142 142 ARG CB C 13 30.174 0.000 . 1 . . . . . 366 ARG CB . 52055 1 518 . 1 . 1 142 142 ARG N N 15 123.755 0.007 . 1 . . . . . 366 ARG N . 52055 1 519 . 1 . 1 143 143 PRO CA C 13 63.564 0.000 . 1 . . . . . 367 PRO CA . 52055 1 520 . 1 . 1 143 143 PRO CB C 13 32.047 0.000 . 1 . . . . . 367 PRO CB . 52055 1 521 . 1 . 1 144 144 GLU H H 1 8.486 0.001 . 1 . . . . . 368 GLU H . 52055 1 522 . 1 . 1 144 144 GLU C C 13 177.124 0.018 . 1 . . . . . 368 GLU C . 52055 1 523 . 1 . 1 144 144 GLU CA C 13 57.085 0.025 . 1 . . . . . 368 GLU CA . 52055 1 524 . 1 . 1 144 144 GLU CB C 13 30.060 0.030 . 1 . . . . . 368 GLU CB . 52055 1 525 . 1 . 1 144 144 GLU N N 15 121.085 0.011 . 1 . . . . . 368 GLU N . 52055 1 526 . 1 . 1 145 145 GLY H H 1 8.355 0.001 . 1 . . . . . 369 GLY H . 52055 1 527 . 1 . 1 145 145 GLY C C 13 173.814 0.000 . 1 . . . . . 369 GLY C . 52055 1 528 . 1 . 1 145 145 GLY CA C 13 45.231 0.000 . 1 . . . . . 369 GLY CA . 52055 1 529 . 1 . 1 145 145 GLY N N 15 110.215 0.007 . 1 . . . . . 369 GLY N . 52055 1 530 . 1 . 1 146 146 ALA H H 1 8.048 0.001 . 1 . . . . . 370 ALA H . 52055 1 531 . 1 . 1 146 146 ALA C C 13 177.841 0.001 . 1 . . . . . 370 ALA C . 52055 1 532 . 1 . 1 146 146 ALA CA C 13 52.452 0.001 . 1 . . . . . 370 ALA CA . 52055 1 533 . 1 . 1 146 146 ALA CB C 13 19.417 0.011 . 1 . . . . . 370 ALA CB . 52055 1 534 . 1 . 1 146 146 ALA N N 15 123.670 0.004 . 1 . . . . . 370 ALA N . 52055 1 535 . 1 . 1 147 147 SER H H 1 8.318 0.000 . 1 . . . . . 371 SER H . 52055 1 536 . 1 . 1 147 147 SER C C 13 174.437 0.001 . 1 . . . . . 371 SER C . 52055 1 537 . 1 . 1 147 147 SER CA C 13 58.435 0.018 . 1 . . . . . 371 SER CA . 52055 1 538 . 1 . 1 147 147 SER CB C 13 63.848 0.018 . 1 . . . . . 371 SER CB . 52055 1 539 . 1 . 1 147 147 SER N N 15 115.250 0.006 . 1 . . . . . 371 SER N . 52055 1 540 . 1 . 1 148 148 ASN H H 1 8.431 0.000 . 1 . . . . . 372 ASN H . 52055 1 541 . 1 . 1 148 148 ASN C C 13 175.388 0.001 . 1 . . . . . 372 ASN C . 52055 1 542 . 1 . 1 148 148 ASN CA C 13 53.408 0.013 . 1 . . . . . 372 ASN CA . 52055 1 543 . 1 . 1 148 148 ASN CB C 13 38.916 0.004 . 1 . . . . . 372 ASN CB . 52055 1 544 . 1 . 1 148 148 ASN N N 15 120.657 0.005 . 1 . . . . . 372 ASN N . 52055 1 545 . 1 . 1 149 149 GLU H H 1 8.374 0.001 . 1 . . . . . 373 GLU H . 52055 1 546 . 1 . 1 149 149 GLU C C 13 176.565 0.000 . 1 . . . . . 373 GLU C . 52055 1 547 . 1 . 1 149 149 GLU CA C 13 57.099 0.020 . 1 . . . . . 373 GLU CA . 52055 1 548 . 1 . 1 149 149 GLU CB C 13 30.091 0.013 . 1 . . . . . 373 GLU CB . 52055 1 549 . 1 . 1 149 149 GLU N N 15 121.203 0.047 . 1 . . . . . 373 GLU N . 52055 1 550 . 1 . 1 150 150 SER H H 1 8.224 0.001 . 1 . . . . . 374 SER H . 52055 1 551 . 1 . 1 150 150 SER C C 13 174.507 0.002 . 1 . . . . . 374 SER C . 52055 1 552 . 1 . 1 150 150 SER CA C 13 58.701 0.016 . 1 . . . . . 374 SER CA . 52055 1 553 . 1 . 1 150 150 SER CB C 13 63.884 0.014 . 1 . . . . . 374 SER CB . 52055 1 554 . 1 . 1 150 150 SER N N 15 116.049 0.005 . 1 . . . . . 374 SER N . 52055 1 555 . 1 . 1 151 151 GLU H H 1 8.277 0.000 . 1 . . . . . 375 GLU H . 52055 1 556 . 1 . 1 151 151 GLU C C 13 176.144 0.000 . 1 . . . . . 375 GLU C . 52055 1 557 . 1 . 1 151 151 GLU CA C 13 56.643 0.000 . 1 . . . . . 375 GLU CA . 52055 1 558 . 1 . 1 151 151 GLU CB C 13 30.076 0.002 . 1 . . . . . 375 GLU CB . 52055 1 559 . 1 . 1 151 151 GLU N N 15 122.396 0.003 . 1 . . . . . 375 GLU N . 52055 1 560 . 1 . 1 152 152 ARG H H 1 8.128 0.001 . 1 . . . . . 376 ARG H . 52055 1 561 . 1 . 1 152 152 ARG C C 13 175.059 0.000 . 1 . . . . . 376 ARG C . 52055 1 562 . 1 . 1 152 152 ARG CA C 13 55.878 0.000 . 1 . . . . . 376 ARG CA . 52055 1 563 . 1 . 1 152 152 ARG CB C 13 31.252 0.011 . 1 . . . . . 376 ARG CB . 52055 1 564 . 1 . 1 152 152 ARG N N 15 121.573 0.010 . 1 . . . . . 376 ARG N . 52055 1 565 . 1 . 1 153 153 ASP H H 1 7.899 0.001 . 1 . . . . . 377 ASP H . 52055 1 566 . 1 . 1 153 153 ASP C C 13 180.874 0.000 . 1 . . . . . 377 ASP C . 52055 1 567 . 1 . 1 153 153 ASP CA C 13 55.979 0.000 . 1 . . . . . 377 ASP CA . 52055 1 568 . 1 . 1 153 153 ASP CB C 13 42.135 0.000 . 1 . . . . . 377 ASP CB . 52055 1 569 . 1 . 1 153 153 ASP N N 15 126.781 0.003 . 1 . . . . . 377 ASP N . 52055 1 stop_ save_