data_31059 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31059 _Entry.Title ; Tau (297-391) in vitro untwisted fibril ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-11 _Entry.Accession_date 2022-11-11 _Entry.Last_release_date 2022-12-12 _Entry.Original_release_date 2022-12-12 _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 'SOLID-STATE NMR' _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 P. Duan P. . . . 31059 2 A. Dregni A. J. . . 31059 3 N. Mammeri N. E. . . 31059 4 M. Hong M. . . . 31059 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '3-layer structure' . 31059 'AD tau core' . 31059 'PROTEIN FIBRIL' . 31059 'untwisted filament' . 31059 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31059 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 31059 '15N chemical shifts' 51 31059 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 . . 2023-11-06 . original BMRB . 31059 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRBig bmrbig91 'spectra data' 31059 PDB 8F52 'BMRB Entry Tracking System' 31059 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31059 _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 ; Structure of Untwisted Filaments of a Tiny Tau that Encompasses the Alzheimer's Tau b-sheet Core ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 P. Duan P. . . . 31059 1 2 A. Dregni A. J. . . 31059 1 3 N. Mammeri N. E. . . 31059 1 4 M. Hong M. . . . 31059 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31059 _Assembly.ID 1 _Assembly.Name 'Isoform Tau-F of Microtubule-associated protein tau' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31059 1 2 unit_2 1 $entity_1 B B yes . . . . . . 31059 1 3 unit_3 1 $entity_1 C C yes . . . . . . 31059 1 4 unit_4 1 $entity_1 D D yes . . . . . . 31059 1 5 unit_5 1 $entity_1 E E yes . . . . . . 31059 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31059 _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 A,B,C,D,E _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IKHVPGGGSVQIVYKPVDLS KVTSKCGSLGNIHHKPGGGQ VEVKSEKLDFKDRVQSKIGS LDNITHVPGGGNKKIETHKL TFRENAKAKTDHGAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'M0, residues 297-391' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10187.614 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Neurofibrillary tangle protein' common 31059 1 PHF-tau common 31059 1 'Paired helical filament-tau' common 31059 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 1 297 ILE . 31059 1 2 298 LYS . 31059 1 3 299 HIS . 31059 1 4 300 VAL . 31059 1 5 301 PRO . 31059 1 6 302 GLY . 31059 1 7 303 GLY . 31059 1 8 304 GLY . 31059 1 9 305 SER . 31059 1 10 306 VAL . 31059 1 11 307 GLN . 31059 1 12 308 ILE . 31059 1 13 309 VAL . 31059 1 14 310 TYR . 31059 1 15 311 LYS . 31059 1 16 312 PRO . 31059 1 17 313 VAL . 31059 1 18 314 ASP . 31059 1 19 315 LEU . 31059 1 20 316 SER . 31059 1 21 317 LYS . 31059 1 22 318 VAL . 31059 1 23 319 THR . 31059 1 24 320 SER . 31059 1 25 321 LYS . 31059 1 26 322 CYS . 31059 1 27 323 GLY . 31059 1 28 324 SER . 31059 1 29 325 LEU . 31059 1 30 326 GLY . 31059 1 31 327 ASN . 31059 1 32 328 ILE . 31059 1 33 329 HIS . 31059 1 34 330 HIS . 31059 1 35 331 LYS . 31059 1 36 332 PRO . 31059 1 37 333 GLY . 31059 1 38 334 GLY . 31059 1 39 335 GLY . 31059 1 40 336 GLN . 31059 1 41 337 VAL . 31059 1 42 338 GLU . 31059 1 43 339 VAL . 31059 1 44 340 LYS . 31059 1 45 341 SER . 31059 1 46 342 GLU . 31059 1 47 343 LYS . 31059 1 48 344 LEU . 31059 1 49 345 ASP . 31059 1 50 346 PHE . 31059 1 51 347 LYS . 31059 1 52 348 ASP . 31059 1 53 349 ARG . 31059 1 54 350 VAL . 31059 1 55 351 GLN . 31059 1 56 352 SER . 31059 1 57 353 LYS . 31059 1 58 354 ILE . 31059 1 59 355 GLY . 31059 1 60 356 SER . 31059 1 61 357 LEU . 31059 1 62 358 ASP . 31059 1 63 359 ASN . 31059 1 64 360 ILE . 31059 1 65 361 THR . 31059 1 66 362 HIS . 31059 1 67 363 VAL . 31059 1 68 364 PRO . 31059 1 69 365 GLY . 31059 1 70 366 GLY . 31059 1 71 367 GLY . 31059 1 72 368 ASN . 31059 1 73 369 LYS . 31059 1 74 370 LYS . 31059 1 75 371 ILE . 31059 1 76 372 GLU . 31059 1 77 373 THR . 31059 1 78 374 HIS . 31059 1 79 375 LYS . 31059 1 80 376 LEU . 31059 1 81 377 THR . 31059 1 82 378 PHE . 31059 1 83 379 ARG . 31059 1 84 380 GLU . 31059 1 85 381 ASN . 31059 1 86 382 ALA . 31059 1 87 383 LYS . 31059 1 88 384 ALA . 31059 1 89 385 LYS . 31059 1 90 386 THR . 31059 1 91 387 ASP . 31059 1 92 388 HIS . 31059 1 93 389 GLY . 31059 1 94 390 ALA . 31059 1 95 391 GLU . 31059 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 . ILE 1 1 31059 1 . LYS 2 2 31059 1 . HIS 3 3 31059 1 . VAL 4 4 31059 1 . PRO 5 5 31059 1 . GLY 6 6 31059 1 . GLY 7 7 31059 1 . GLY 8 8 31059 1 . SER 9 9 31059 1 . VAL 10 10 31059 1 . GLN 11 11 31059 1 . ILE 12 12 31059 1 . VAL 13 13 31059 1 . TYR 14 14 31059 1 . LYS 15 15 31059 1 . PRO 16 16 31059 1 . VAL 17 17 31059 1 . ASP 18 18 31059 1 . LEU 19 19 31059 1 . SER 20 20 31059 1 . LYS 21 21 31059 1 . VAL 22 22 31059 1 . THR 23 23 31059 1 . SER 24 24 31059 1 . LYS 25 25 31059 1 . CYS 26 26 31059 1 . GLY 27 27 31059 1 . SER 28 28 31059 1 . LEU 29 29 31059 1 . GLY 30 30 31059 1 . ASN 31 31 31059 1 . ILE 32 32 31059 1 . HIS 33 33 31059 1 . HIS 34 34 31059 1 . LYS 35 35 31059 1 . PRO 36 36 31059 1 . GLY 37 37 31059 1 . GLY 38 38 31059 1 . GLY 39 39 31059 1 . GLN 40 40 31059 1 . VAL 41 41 31059 1 . GLU 42 42 31059 1 . VAL 43 43 31059 1 . LYS 44 44 31059 1 . SER 45 45 31059 1 . GLU 46 46 31059 1 . LYS 47 47 31059 1 . LEU 48 48 31059 1 . ASP 49 49 31059 1 . PHE 50 50 31059 1 . LYS 51 51 31059 1 . ASP 52 52 31059 1 . ARG 53 53 31059 1 . VAL 54 54 31059 1 . GLN 55 55 31059 1 . SER 56 56 31059 1 . LYS 57 57 31059 1 . ILE 58 58 31059 1 . GLY 59 59 31059 1 . SER 60 60 31059 1 . LEU 61 61 31059 1 . ASP 62 62 31059 1 . ASN 63 63 31059 1 . ILE 64 64 31059 1 . THR 65 65 31059 1 . HIS 66 66 31059 1 . VAL 67 67 31059 1 . PRO 68 68 31059 1 . GLY 69 69 31059 1 . GLY 70 70 31059 1 . GLY 71 71 31059 1 . ASN 72 72 31059 1 . LYS 73 73 31059 1 . LYS 74 74 31059 1 . ILE 75 75 31059 1 . GLU 76 76 31059 1 . THR 77 77 31059 1 . HIS 78 78 31059 1 . LYS 79 79 31059 1 . LEU 80 80 31059 1 . THR 81 81 31059 1 . PHE 82 82 31059 1 . ARG 83 83 31059 1 . GLU 84 84 31059 1 . ASN 85 85 31059 1 . ALA 86 86 31059 1 . LYS 87 87 31059 1 . ALA 88 88 31059 1 . LYS 89 89 31059 1 . THR 90 90 31059 1 . ASP 91 91 31059 1 . HIS 92 92 31059 1 . GLY 93 93 31059 1 . ALA 94 94 31059 1 . GLU 95 95 31059 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31059 _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 . . . . . . . . . . . 'MAPT, MAPTL, MTBT1, TAU' . 31059 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 31059 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 31059 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31059 _Sample.ID 1 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '50 % w/w [U-100% 13C; U-100% 15N] Tau (297-391), 200 mM MgCl2, 10 mM potassium phosphate' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10 mM potassium phosphate' _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 'Tau (297-391)' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 50 . . '% w/w' . . . . 31059 1 2 MgCl2 'natural abundance' . . . . . . 200 . . mM . . . . 31059 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31059 _Sample.ID 2 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '50 % w/w 50% UCN diluted with NA Tau (297-391), 200 mM MgCl2, 10 mM potassium phosphate' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10 mM potassium phosphate' _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 'Tau (297-391)' '50% UCN diluted with NA' . . 1 $entity_1 . . 50 . . '% w/w' . . . . 31059 2 2 MgCl2 'natural abundance' . . . . . . 200 . . mM . . . . 31059 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31059 _Sample.ID 3 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '50 % w/w [1,3-13C]glycerol, U-15N Tau (297-391), 200 mM MgCl2, 10 mM potassium phosphate' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10 mM potassium phosphate' _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 'Tau (297-391)' '[1,3-13C]glycerol, U-15N' . . 1 $entity_1 . . 50 . . '% w/w' . . . . 31059 3 2 MgCl2 'natural abundance' . . . . . . 200 . . mM . . . . 31059 3 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 31059 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.61 . M 31059 1 pH 5.5 0.5 pH 31059 1 pressure 1 . atm 31059 1 temperature 287 3 K 31059 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31059 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 4.1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31059 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31059 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31059 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31059 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31059 2 'structure calculation' . 31059 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31059 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31059 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31059 3 'peak picking' . 31059 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 31059 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31059 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31059 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 900 . . . 31059 1 2 NMR_spectrometer_2 Bruker AVANCE . 800 . . . 31059 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 31059 _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 13C-detected NCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31059 1 2 '3D NCACX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31059 1 3 '3D NCOCX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31059 1 4 '3D CONCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31059 1 5 '2D 13C-detected CORD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31059 1 6 '2D 13C-detected long, CORD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31059 1 7 '2D 13C-detected long, CORD' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31059 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 31059 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 0.0 external direct 1 . . . . . 31059 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.0 external direct 1 . . . . . 31059 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 31059 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 13C-detected NCACB' . . . 31059 1 2 '3D NCACX' . . . 31059 1 3 '3D NCOCX' . . . 31059 1 4 '3D CONCACB' . . . 31059 1 5 '2D 13C-detected CORD' . . . 31059 1 6 '2D 13C-detected long, CORD' . . . 31059 1 7 '2D 13C-detected long, CORD' . . . 31059 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 SER C C 13 171.798 0.028 . 1 . . . . A 305 SER C . 31059 1 2 . 1 . 1 9 9 SER CA C 13 56.432 0.140 . 1 . . . . A 305 SER CA . 31059 1 3 . 1 . 1 9 9 SER CB C 13 62.896 0.144 . 1 . . . . A 305 SER CB . 31059 1 4 . 1 . 1 9 9 SER N N 15 116.880 0.140 . 1 . . . . A 305 SER N . 31059 1 5 . 1 . 1 10 10 VAL C C 13 172.728 0.061 . 1 . . . . A 306 VAL C . 31059 1 6 . 1 . 1 10 10 VAL CA C 13 59.783 0.047 . 1 . . . . A 306 VAL CA . 31059 1 7 . 1 . 1 10 10 VAL CB C 13 33.998 0.090 . 1 . . . . A 306 VAL CB . 31059 1 8 . 1 . 1 10 10 VAL CG1 C 13 19.055 0.085 . 1 . . . . A 306 VAL CG1 . 31059 1 9 . 1 . 1 10 10 VAL N N 15 122.898 0.099 . 1 . . . . A 306 VAL N . 31059 1 10 . 1 . 1 11 11 GLN C C 13 171.834 0.061 . 1 . . . . A 307 GLN C . 31059 1 11 . 1 . 1 11 11 GLN CA C 13 52.428 0.048 . 1 . . . . A 307 GLN CA . 31059 1 12 . 1 . 1 11 11 GLN CB C 13 31.055 0.064 . 1 . . . . A 307 GLN CB . 31059 1 13 . 1 . 1 11 11 GLN CG C 13 32.691 0.094 . 1 . . . . A 307 GLN CG . 31059 1 14 . 1 . 1 11 11 GLN CD C 13 177.294 0.074 . 1 . . . . A 307 GLN CD . 31059 1 15 . 1 . 1 11 11 GLN N N 15 129.652 0.079 . 1 . . . . A 307 GLN N . 31059 1 16 . 1 . 1 12 12 ILE CA C 13 58.129 0.104 . 1 . . . . A 308 ILE CA . 31059 1 17 . 1 . 1 12 12 ILE CB C 13 39.089 0.100 . 1 . . . . A 308 ILE CB . 31059 1 18 . 1 . 1 12 12 ILE CG1 C 13 25.408 0.071 . 1 . . . . A 308 ILE CG1 . 31059 1 19 . 1 . 1 12 12 ILE CG2 C 13 14.917 0.078 . 1 . . . . A 308 ILE CG2 . 31059 1 20 . 1 . 1 12 12 ILE CD1 C 13 12.596 0.072 . 1 . . . . A 308 ILE CD1 . 31059 1 21 . 1 . 1 12 12 ILE N N 15 126.951 0.122 . 1 . . . . A 308 ILE N . 31059 1 22 . 1 . 1 13 13 VAL C C 13 170.540 0.071 . 1 . . . . A 309 VAL C . 31059 1 23 . 1 . 1 13 13 VAL CA C 13 59.409 0.059 . 1 . . . . A 309 VAL CA . 31059 1 24 . 1 . 1 13 13 VAL CB C 13 32.002 0.075 . 1 . . . . A 309 VAL CB . 31059 1 25 . 1 . 1 13 13 VAL CG1 C 13 19.487 0.054 . 2 . . . . A 309 VAL CG1 . 31059 1 26 . 1 . 1 13 13 VAL CG2 C 13 17.962 0.059 . 2 . . . . A 309 VAL CG2 . 31059 1 27 . 1 . 1 13 13 VAL N N 15 128.144 0.104 . 1 . . . . A 309 VAL N . 31059 1 28 . 1 . 1 14 14 TYR C C 13 170.969 0.072 . 1 . . . . A 310 TYR C . 31059 1 29 . 1 . 1 14 14 TYR CA C 13 55.149 0.080 . 1 . . . . A 310 TYR CA . 31059 1 30 . 1 . 1 14 14 TYR CB C 13 37.989 0.061 . 1 . . . . A 310 TYR CB . 31059 1 31 . 1 . 1 14 14 TYR CG C 13 124.839 0.053 . 1 . . . . A 310 TYR CG . 31059 1 32 . 1 . 1 14 14 TYR CD1 C 13 132.496 0.137 . 1 . . . . A 310 TYR CD1 . 31059 1 33 . 1 . 1 14 14 TYR CD2 C 13 132.496 0.137 . 1 . . . . A 310 TYR CD2 . 31059 1 34 . 1 . 1 14 14 TYR CE1 C 13 115.554 0.000 . 1 . . . . A 310 TYR CE1 . 31059 1 35 . 1 . 1 14 14 TYR CE2 C 13 115.554 0.000 . 1 . . . . A 310 TYR CE2 . 31059 1 36 . 1 . 1 14 14 TYR CZ C 13 155.560 0.085 . 1 . . . . A 310 TYR CZ . 31059 1 37 . 1 . 1 14 14 TYR N N 15 132.262 0.057 . 1 . . . . A 310 TYR N . 31059 1 38 . 1 . 1 15 15 LYS C C 13 169.274 0.042 . 1 . . . . A 311 LYS C . 31059 1 39 . 1 . 1 15 15 LYS CA C 13 52.020 0.053 . 1 . . . . A 311 LYS CA . 31059 1 40 . 1 . 1 15 15 LYS CB C 13 32.696 0.075 . 1 . . . . A 311 LYS CB . 31059 1 41 . 1 . 1 15 15 LYS CG C 13 22.767 0.052 . 1 . . . . A 311 LYS CG . 31059 1 42 . 1 . 1 15 15 LYS CD C 13 28.381 0.050 . 1 . . . . A 311 LYS CD . 31059 1 43 . 1 . 1 15 15 LYS CE C 13 40.029 0.073 . 1 . . . . A 311 LYS CE . 31059 1 44 . 1 . 1 15 15 LYS N N 15 124.958 0.073 . 1 . . . . A 311 LYS N . 31059 1 45 . 1 . 1 16 16 PRO C C 13 172.945 0.060 . 1 . . . . A 312 PRO C . 31059 1 46 . 1 . 1 16 16 PRO CA C 13 61.533 0.054 . 1 . . . . A 312 PRO CA . 31059 1 47 . 1 . 1 16 16 PRO CB C 13 30.928 0.063 . 1 . . . . A 312 PRO CB . 31059 1 48 . 1 . 1 16 16 PRO CG C 13 25.560 0.067 . 1 . . . . A 312 PRO CG . 31059 1 49 . 1 . 1 16 16 PRO CD C 13 48.889 0.047 . 1 . . . . A 312 PRO CD . 31059 1 50 . 1 . 1 16 16 PRO N N 15 135.873 0.081 . 1 . . . . A 312 PRO N . 31059 1 51 . 1 . 1 17 17 VAL C C 13 172.638 0.083 . 1 . . . . A 313 VAL C . 31059 1 52 . 1 . 1 17 17 VAL CA C 13 59.563 0.069 . 1 . . . . A 313 VAL CA . 31059 1 53 . 1 . 1 17 17 VAL CB C 13 33.659 0.101 . 1 . . . . A 313 VAL CB . 31059 1 54 . 1 . 1 17 17 VAL CG1 C 13 19.675 0.065 . 2 . . . . A 313 VAL CG1 . 31059 1 55 . 1 . 1 17 17 VAL CG2 C 13 18.890 0.066 . 2 . . . . A 313 VAL CG2 . 31059 1 56 . 1 . 1 17 17 VAL N N 15 119.813 0.104 . 1 . . . . A 313 VAL N . 31059 1 57 . 1 . 1 18 18 ASP C C 13 171.568 0.089 . 1 . . . . A 314 ASP C . 31059 1 58 . 1 . 1 18 18 ASP CA C 13 51.179 0.040 . 1 . . . . A 314 ASP CA . 31059 1 59 . 1 . 1 18 18 ASP CB C 13 43.884 0.108 . 1 . . . . A 314 ASP CB . 31059 1 60 . 1 . 1 18 18 ASP CG C 13 179.858 0.092 . 1 . . . . A 314 ASP CG . 31059 1 61 . 1 . 1 18 18 ASP N N 15 127.988 0.087 . 1 . . . . A 314 ASP N . 31059 1 62 . 1 . 1 19 19 LEU C C 13 171.316 0.053 . 1 . . . . A 315 LEU C . 31059 1 63 . 1 . 1 19 19 LEU CA C 13 51.135 0.052 . 1 . . . . A 315 LEU CA . 31059 1 64 . 1 . 1 19 19 LEU CB C 13 43.279 0.071 . 1 . . . . A 315 LEU CB . 31059 1 65 . 1 . 1 19 19 LEU CG C 13 25.638 0.068 . 1 . . . . A 315 LEU CG . 31059 1 66 . 1 . 1 19 19 LEU CD1 C 13 23.726 0.087 . 1 . . . . A 315 LEU CD1 . 31059 1 67 . 1 . 1 19 19 LEU N N 15 124.048 0.097 . 1 . . . . A 315 LEU N . 31059 1 68 . 1 . 1 20 20 SER C C 13 172.557 0.081 . 1 . . . . A 316 SER C . 31059 1 69 . 1 . 1 20 20 SER CA C 13 53.983 0.067 . 1 . . . . A 316 SER CA . 31059 1 70 . 1 . 1 20 20 SER CB C 13 63.232 0.136 . 1 . . . . A 316 SER CB . 31059 1 71 . 1 . 1 20 20 SER N N 15 120.497 0.092 . 1 . . . . A 316 SER N . 31059 1 72 . 1 . 1 21 21 LYS C C 13 172.111 0.048 . 1 . . . . A 317 LYS C . 31059 1 73 . 1 . 1 21 21 LYS CA C 13 52.758 0.054 . 1 . . . . A 317 LYS CA . 31059 1 74 . 1 . 1 21 21 LYS CB C 13 35.169 0.012 . 1 . . . . A 317 LYS CB . 31059 1 75 . 1 . 1 21 21 LYS CG C 13 23.448 0.142 . 1 . . . . A 317 LYS CG . 31059 1 76 . 1 . 1 21 21 LYS CD C 13 28.322 0.057 . 1 . . . . A 317 LYS CD . 31059 1 77 . 1 . 1 21 21 LYS CE C 13 39.994 0.064 . 1 . . . . A 317 LYS CE . 31059 1 78 . 1 . 1 21 21 LYS N N 15 122.656 0.036 . 1 . . . . A 317 LYS N . 31059 1 79 . 1 . 1 22 22 VAL C C 13 173.408 0.069 . 1 . . . . A 318 VAL C . 31059 1 80 . 1 . 1 22 22 VAL CA C 13 59.038 0.065 . 1 . . . . A 318 VAL CA . 31059 1 81 . 1 . 1 22 22 VAL CB C 13 33.511 0.066 . 1 . . . . A 318 VAL CB . 31059 1 82 . 1 . 1 22 22 VAL CG1 C 13 20.276 0.054 . 2 . . . . A 318 VAL CG1 . 31059 1 83 . 1 . 1 22 22 VAL CG2 C 13 19.873 0.050 . 2 . . . . A 318 VAL CG2 . 31059 1 84 . 1 . 1 22 22 VAL N N 15 124.637 0.073 . 1 . . . . A 318 VAL N . 31059 1 85 . 1 . 1 23 23 THR C C 13 170.929 0.057 . 1 . . . . A 319 THR C . 31059 1 86 . 1 . 1 23 23 THR CA C 13 59.508 0.059 . 1 . . . . A 319 THR CA . 31059 1 87 . 1 . 1 23 23 THR CB C 13 67.791 0.078 . 1 . . . . A 319 THR CB . 31059 1 88 . 1 . 1 23 23 THR CG2 C 13 19.559 0.058 . 1 . . . . A 319 THR CG2 . 31059 1 89 . 1 . 1 23 23 THR N N 15 127.357 0.095 . 1 . . . . A 319 THR N . 31059 1 90 . 1 . 1 24 24 SER C C 13 170.523 0.046 . 1 . . . . A 320 SER C . 31059 1 91 . 1 . 1 24 24 SER CA C 13 53.283 0.055 . 1 . . . . A 320 SER CA . 31059 1 92 . 1 . 1 24 24 SER CB C 13 63.789 0.077 . 1 . . . . A 320 SER CB . 31059 1 93 . 1 . 1 24 24 SER N N 15 122.024 0.131 . 1 . . . . A 320 SER N . 31059 1 94 . 1 . 1 25 25 LYS C C 13 175.510 0.050 . 1 . . . . A 321 LYS C . 31059 1 95 . 1 . 1 25 25 LYS CA C 13 52.977 0.048 . 1 . . . . A 321 LYS CA . 31059 1 96 . 1 . 1 25 25 LYS CB C 13 35.539 0.058 . 1 . . . . A 321 LYS CB . 31059 1 97 . 1 . 1 25 25 LYS CG C 13 23.681 0.085 . 1 . . . . A 321 LYS CG . 31059 1 98 . 1 . 1 25 25 LYS CD C 13 27.774 0.135 . 1 . . . . A 321 LYS CD . 31059 1 99 . 1 . 1 25 25 LYS CE C 13 40.012 0.062 . 1 . . . . A 321 LYS CE . 31059 1 100 . 1 . 1 25 25 LYS N N 15 123.393 0.078 . 1 . . . . A 321 LYS N . 31059 1 101 . 1 . 1 26 26 CYS C C 13 170.695 0.098 . 1 . . . . A 322 CYS C . 31059 1 102 . 1 . 1 26 26 CYS CA C 13 57.889 0.110 . 1 . . . . A 322 CYS CA . 31059 1 103 . 1 . 1 26 26 CYS CB C 13 22.764 0.079 . 1 . . . . A 322 CYS CB . 31059 1 104 . 1 . 1 26 26 CYS N N 15 123.711 0.076 . 1 . . . . A 322 CYS N . 31059 1 105 . 1 . 1 27 27 GLY C C 13 172.097 0.067 . 1 . . . . A 323 GLY C . 31059 1 106 . 1 . 1 27 27 GLY CA C 13 45.583 0.075 . 1 . . . . A 323 GLY CA . 31059 1 107 . 1 . 1 27 27 GLY N N 15 115.012 0.153 . 1 . . . . A 323 GLY N . 31059 1 108 . 1 . 1 28 28 SER C C 13 170.976 0.044 . 1 . . . . A 324 SER C . 31059 1 109 . 1 . 1 28 28 SER CA C 13 56.534 0.099 . 1 . . . . A 324 SER CA . 31059 1 110 . 1 . 1 28 28 SER CB C 13 64.895 0.064 . 1 . . . . A 324 SER CB . 31059 1 111 . 1 . 1 28 28 SER N N 15 112.646 0.137 . 1 . . . . A 324 SER N . 31059 1 112 . 1 . 1 29 29 LEU C C 13 175.540 0.041 . 1 . . . . A 325 LEU C . 31059 1 113 . 1 . 1 29 29 LEU CA C 13 53.282 0.057 . 1 . . . . A 325 LEU CA . 31059 1 114 . 1 . 1 29 29 LEU CB C 13 44.783 0.104 . 1 . . . . A 325 LEU CB . 31059 1 115 . 1 . 1 29 29 LEU CG C 13 27.731 0.061 . 1 . . . . A 325 LEU CG . 31059 1 116 . 1 . 1 29 29 LEU CD1 C 13 23.599 0.041 . 1 . . . . A 325 LEU CD1 . 31059 1 117 . 1 . 1 29 29 LEU N N 15 118.248 0.062 . 1 . . . . A 325 LEU N . 31059 1 118 . 1 . 1 30 30 GLY C C 13 168.144 0.053 . 1 . . . . A 326 GLY C . 31059 1 119 . 1 . 1 30 30 GLY CA C 13 43.121 0.104 . 1 . . . . A 326 GLY CA . 31059 1 120 . 1 . 1 30 30 GLY N N 15 107.028 0.119 . 1 . . . . A 326 GLY N . 31059 1 121 . 1 . 1 31 31 ASN C C 13 171.301 0.087 . 1 . . . . A 327 ASN C . 31059 1 122 . 1 . 1 31 31 ASN CA C 13 50.523 0.092 . 1 . . . . A 327 ASN CA . 31059 1 123 . 1 . 1 31 31 ASN CB C 13 41.283 0.146 . 1 . . . . A 327 ASN CB . 31059 1 124 . 1 . 1 31 31 ASN CG C 13 173.619 0.017 . 1 . . . . A 327 ASN CG . 31059 1 125 . 1 . 1 31 31 ASN N N 15 125.912 0.128 . 1 . . . . A 327 ASN N . 31059 1 126 . 1 . 1 32 32 ILE C C 13 174.103 0.045 . 1 . . . . A 328 ILE C . 31059 1 127 . 1 . 1 32 32 ILE CA C 13 58.731 0.072 . 1 . . . . A 328 ILE CA . 31059 1 128 . 1 . 1 32 32 ILE CB C 13 42.170 0.139 . 1 . . . . A 328 ILE CB . 31059 1 129 . 1 . 1 32 32 ILE CG1 C 13 26.307 0.070 . 1 . . . . A 328 ILE CG1 . 31059 1 130 . 1 . 1 32 32 ILE CG2 C 13 15.377 0.054 . 1 . . . . A 328 ILE CG2 . 31059 1 131 . 1 . 1 32 32 ILE CD1 C 13 13.664 0.088 . 1 . . . . A 328 ILE CD1 . 31059 1 132 . 1 . 1 32 32 ILE N N 15 120.299 0.068 . 1 . . . . A 328 ILE N . 31059 1 133 . 1 . 1 33 33 HIS CB C 13 28.426 0.041 . 1 . . . . A 329 HIS CB . 31059 1 134 . 1 . 1 33 33 HIS N N 15 130.983 0.041 . 1 . . . . A 329 HIS N . 31059 1 135 . 1 . 1 34 34 HIS C C 13 169.548 0.079 . 1 . . . . A 330 HIS C . 31059 1 136 . 1 . 1 34 34 HIS CA C 13 53.630 0.084 . 1 . . . . A 330 HIS CA . 31059 1 137 . 1 . 1 34 34 HIS CB C 13 30.590 0.126 . 1 . . . . A 330 HIS CB . 31059 1 138 . 1 . 1 34 34 HIS CG C 13 134.462 0.174 . 1 . . . . A 330 HIS CG . 31059 1 139 . 1 . 1 34 34 HIS CD2 C 13 114.031 0.127 . 1 . . . . A 330 HIS CD2 . 31059 1 140 . 1 . 1 35 35 LYS C C 13 168.632 0.021 . 1 . . . . A 331 LYS C . 31059 1 141 . 1 . 1 35 35 LYS CA C 13 55.086 0.093 . 1 . . . . A 331 LYS CA . 31059 1 142 . 1 . 1 35 35 LYS CB C 13 30.495 0.068 . 1 . . . . A 331 LYS CB . 31059 1 143 . 1 . 1 35 35 LYS CG C 13 23.673 0.082 . 1 . . . . A 331 LYS CG . 31059 1 144 . 1 . 1 35 35 LYS CD C 13 27.851 0.079 . 1 . . . . A 331 LYS CD . 31059 1 145 . 1 . 1 35 35 LYS CE C 13 39.548 0.125 . 1 . . . . A 331 LYS CE . 31059 1 146 . 1 . 1 35 35 LYS N N 15 128.975 0.083 . 1 . . . . A 331 LYS N . 31059 1 147 . 1 . 1 36 36 PRO C C 13 175.103 0.119 . 1 . . . . A 332 PRO C . 31059 1 148 . 1 . 1 36 36 PRO CA C 13 61.559 0.047 . 1 . . . . A 332 PRO CA . 31059 1 149 . 1 . 1 36 36 PRO CB C 13 30.472 0.075 . 1 . . . . A 332 PRO CB . 31059 1 150 . 1 . 1 36 36 PRO CG C 13 27.180 0.090 . 1 . . . . A 332 PRO CG . 31059 1 151 . 1 . 1 36 36 PRO CD C 13 47.611 0.078 . 1 . . . . A 332 PRO CD . 31059 1 152 . 1 . 1 37 37 GLY C C 13 173.155 0.071 . 1 . . . . A 333 GLY C . 31059 1 153 . 1 . 1 37 37 GLY CA C 13 43.012 0.073 . 1 . . . . A 333 GLY CA . 31059 1 154 . 1 . 1 37 37 GLY N N 15 111.134 0.086 . 1 . . . . A 333 GLY N . 31059 1 155 . 1 . 1 38 38 GLY C C 13 174.744 0.057 . 1 . . . . A 334 GLY C . 31059 1 156 . 1 . 1 38 38 GLY CA C 13 42.104 0.063 . 1 . . . . A 334 GLY CA . 31059 1 157 . 1 . 1 38 38 GLY N N 15 111.247 0.045 . 1 . . . . A 334 GLY N . 31059 1 158 . 1 . 1 39 39 GLY C C 13 171.243 0.066 . 1 . . . . A 335 GLY C . 31059 1 159 . 1 . 1 39 39 GLY CA C 13 42.182 0.050 . 1 . . . . A 335 GLY CA . 31059 1 160 . 1 . 1 39 39 GLY N N 15 106.955 0.128 . 1 . . . . A 335 GLY N . 31059 1 161 . 1 . 1 40 40 GLN C C 13 170.768 0.057 . 1 . . . . A 336 GLN C . 31059 1 162 . 1 . 1 40 40 GLN CA C 13 54.600 0.064 . 1 . . . . A 336 GLN CA . 31059 1 163 . 1 . 1 40 40 GLN CB C 13 25.627 0.076 . 1 . . . . A 336 GLN CB . 31059 1 164 . 1 . 1 40 40 GLN CG C 13 28.129 0.072 . 1 . . . . A 336 GLN CG . 31059 1 165 . 1 . 1 40 40 GLN CD C 13 174.483 0.033 . 1 . . . . A 336 GLN CD . 31059 1 166 . 1 . 1 40 40 GLN N N 15 122.247 0.090 . 1 . . . . A 336 GLN N . 31059 1 167 . 1 . 1 41 41 VAL C C 13 171.531 0.068 . 1 . . . . A 337 VAL C . 31059 1 168 . 1 . 1 41 41 VAL CA C 13 59.350 0.068 . 1 . . . . A 337 VAL CA . 31059 1 169 . 1 . 1 41 41 VAL CB C 13 34.065 0.101 . 1 . . . . A 337 VAL CB . 31059 1 170 . 1 . 1 41 41 VAL CG1 C 13 18.970 0.084 . 2 . . . . A 337 VAL CG1 . 31059 1 171 . 1 . 1 41 41 VAL CG2 C 13 18.776 0.025 . 2 . . . . A 337 VAL CG2 . 31059 1 172 . 1 . 1 41 41 VAL N N 15 119.426 0.075 . 1 . . . . A 337 VAL N . 31059 1 173 . 1 . 1 42 42 GLU C C 13 171.534 0.074 . 1 . . . . A 338 GLU C . 31059 1 174 . 1 . 1 42 42 GLU CA C 13 52.266 0.047 . 1 . . . . A 338 GLU CA . 31059 1 175 . 1 . 1 42 42 GLU CB C 13 30.668 0.090 . 1 . . . . A 338 GLU CB . 31059 1 176 . 1 . 1 42 42 GLU CG C 13 32.730 0.058 . 1 . . . . A 338 GLU CG . 31059 1 177 . 1 . 1 42 42 GLU N N 15 131.521 0.096 . 1 . . . . A 338 GLU N . 31059 1 178 . 1 . 1 43 43 VAL C C 13 173.210 0.056 . 1 . . . . A 339 VAL C . 31059 1 179 . 1 . 1 43 43 VAL CA C 13 57.714 0.070 . 1 . . . . A 339 VAL CA . 31059 1 180 . 1 . 1 43 43 VAL CB C 13 32.212 0.072 . 1 . . . . A 339 VAL CB . 31059 1 181 . 1 . 1 43 43 VAL CG1 C 13 19.657 0.080 . 2 . . . . A 339 VAL CG1 . 31059 1 182 . 1 . 1 43 43 VAL CG2 C 13 19.091 0.058 . 2 . . . . A 339 VAL CG2 . 31059 1 183 . 1 . 1 43 43 VAL N N 15 127.450 0.083 . 1 . . . . A 339 VAL N . 31059 1 184 . 1 . 1 44 44 LYS C C 13 172.942 0.054 . 1 . . . . A 340 LYS C . 31059 1 185 . 1 . 1 44 44 LYS CA C 13 52.479 0.067 . 1 . . . . A 340 LYS CA . 31059 1 186 . 1 . 1 44 44 LYS CB C 13 36.038 0.042 . 1 . . . . A 340 LYS CB . 31059 1 187 . 1 . 1 44 44 LYS CG C 13 22.036 0.071 . 1 . . . . A 340 LYS CG . 31059 1 188 . 1 . 1 44 44 LYS CD C 13 29.661 0.057 . 1 . . . . A 340 LYS CD . 31059 1 189 . 1 . 1 44 44 LYS CE C 13 40.125 0.070 . 1 . . . . A 340 LYS CE . 31059 1 190 . 1 . 1 44 44 LYS N N 15 115.697 0.096 . 1 . . . . A 340 LYS N . 31059 1 191 . 1 . 1 45 45 SER C C 13 170.394 0.060 . 1 . . . . A 341 SER C . 31059 1 192 . 1 . 1 45 45 SER CA C 13 54.768 0.057 . 1 . . . . A 341 SER CA . 31059 1 193 . 1 . 1 45 45 SER CB C 13 62.670 0.057 . 1 . . . . A 341 SER CB . 31059 1 194 . 1 . 1 45 45 SER N N 15 112.047 0.083 . 1 . . . . A 341 SER N . 31059 1 195 . 1 . 1 46 46 GLU C C 13 173.172 0.067 . 1 . . . . A 342 GLU C . 31059 1 196 . 1 . 1 46 46 GLU CA C 13 53.352 0.040 . 1 . . . . A 342 GLU CA . 31059 1 197 . 1 . 1 46 46 GLU CB C 13 31.778 0.062 . 1 . . . . A 342 GLU CB . 31059 1 198 . 1 . 1 46 46 GLU CG C 13 32.818 0.084 . 1 . . . . A 342 GLU CG . 31059 1 199 . 1 . 1 46 46 GLU CD C 13 179.423 0.057 . 1 . . . . A 342 GLU CD . 31059 1 200 . 1 . 1 46 46 GLU N N 15 132.420 0.090 . 1 . . . . A 342 GLU N . 31059 1 201 . 1 . 1 47 47 LYS C C 13 171.908 0.054 . 1 . . . . A 343 LYS C . 31059 1 202 . 1 . 1 47 47 LYS CA C 13 53.411 0.038 . 1 . . . . A 343 LYS CA . 31059 1 203 . 1 . 1 47 47 LYS CB C 13 33.918 0.066 . 1 . . . . A 343 LYS CB . 31059 1 204 . 1 . 1 47 47 LYS CG C 13 23.465 0.081 . 1 . . . . A 343 LYS CG . 31059 1 205 . 1 . 1 47 47 LYS CD C 13 28.077 0.063 . 1 . . . . A 343 LYS CD . 31059 1 206 . 1 . 1 47 47 LYS CE C 13 42.938 0.087 . 1 . . . . A 343 LYS CE . 31059 1 207 . 1 . 1 47 47 LYS N N 15 130.606 0.107 . 1 . . . . A 343 LYS N . 31059 1 208 . 1 . 1 48 48 LEU C C 13 172.541 0.048 . 1 . . . . A 344 LEU C . 31059 1 209 . 1 . 1 48 48 LEU CA C 13 52.958 0.072 . 1 . . . . A 344 LEU CA . 31059 1 210 . 1 . 1 48 48 LEU CB C 13 42.801 0.028 . 1 . . . . A 344 LEU CB . 31059 1 211 . 1 . 1 48 48 LEU CG C 13 28.322 0.071 . 1 . . . . A 344 LEU CG . 31059 1 212 . 1 . 1 48 48 LEU CD1 C 13 24.368 0.050 . 2 . . . . A 344 LEU CD1 . 31059 1 213 . 1 . 1 48 48 LEU CD2 C 13 22.406 0.137 . 2 . . . . A 344 LEU CD2 . 31059 1 214 . 1 . 1 48 48 LEU N N 15 127.318 0.101 . 1 . . . . A 344 LEU N . 31059 1 215 . 1 . 1 49 49 ASP C C 13 172.578 0.000 . 1 . . . . A 345 ASP C . 31059 1 216 . 1 . 1 49 49 ASP CA C 13 51.111 0.077 . 1 . . . . A 345 ASP CA . 31059 1 217 . 1 . 1 49 49 ASP CB C 13 42.725 0.067 . 1 . . . . A 345 ASP CB . 31059 1 218 . 1 . 1 49 49 ASP CG C 13 178.529 0.090 . 1 . . . . A 345 ASP CG . 31059 1 219 . 1 . 1 49 49 ASP N N 15 123.954 0.132 . 1 . . . . A 345 ASP N . 31059 1 220 . 1 . 1 50 50 PHE C C 13 172.892 0.018 . 1 . . . . A 346 PHE C . 31059 1 221 . 1 . 1 50 50 PHE CA C 13 53.930 0.144 . 1 . . . . A 346 PHE CA . 31059 1 222 . 1 . 1 50 50 PHE CB C 13 39.628 0.000 . 1 . . . . A 346 PHE CB . 31059 1 223 . 1 . 1 50 50 PHE CG C 13 134.781 0.083 . 1 . . . . A 346 PHE CG . 31059 1 224 . 1 . 1 51 51 LYS C C 13 174.001 0.080 . 1 . . . . A 347 LYS C . 31059 1 225 . 1 . 1 51 51 LYS CA C 13 52.854 0.047 . 1 . . . . A 347 LYS CA . 31059 1 226 . 1 . 1 51 51 LYS CB C 13 31.147 0.082 . 1 . . . . A 347 LYS CB . 31059 1 227 . 1 . 1 51 51 LYS CG C 13 22.759 0.060 . 1 . . . . A 347 LYS CG . 31059 1 228 . 1 . 1 51 51 LYS CD C 13 28.110 0.123 . 1 . . . . A 347 LYS CD . 31059 1 229 . 1 . 1 51 51 LYS N N 15 128.540 0.079 . 1 . . . . A 347 LYS N . 31059 1 230 . 1 . 1 52 52 ASP C C 13 175.468 0.092 . 1 . . . . A 348 ASP C . 31059 1 231 . 1 . 1 52 52 ASP CA C 13 53.168 0.059 . 1 . . . . A 348 ASP CA . 31059 1 232 . 1 . 1 52 52 ASP CB C 13 39.953 0.087 . 1 . . . . A 348 ASP CB . 31059 1 233 . 1 . 1 52 52 ASP N N 15 124.723 0.111 . 1 . . . . A 348 ASP N . 31059 1 234 . 1 . 1 53 53 ARG C C 13 171.328 0.062 . 1 . . . . A 349 ARG C . 31059 1 235 . 1 . 1 53 53 ARG CA C 13 53.329 0.043 . 1 . . . . A 349 ARG CA . 31059 1 236 . 1 . 1 53 53 ARG CB C 13 30.326 0.044 . 1 . . . . A 349 ARG CB . 31059 1 237 . 1 . 1 53 53 ARG CG C 13 26.162 0.054 . 1 . . . . A 349 ARG CG . 31059 1 238 . 1 . 1 53 53 ARG CD C 13 41.953 0.069 . 1 . . . . A 349 ARG CD . 31059 1 239 . 1 . 1 53 53 ARG CZ C 13 157.356 0.078 . 1 . . . . A 349 ARG CZ . 31059 1 240 . 1 . 1 53 53 ARG N N 15 120.284 0.118 . 1 . . . . A 349 ARG N . 31059 1 241 . 1 . 1 53 53 ARG NE N 15 84.902 0.073 . 1 . . . . A 349 ARG NE . 31059 1 242 . 1 . 1 54 54 VAL C C 13 172.543 0.058 . 1 . . . . A 350 VAL C . 31059 1 243 . 1 . 1 54 54 VAL CA C 13 59.063 0.072 . 1 . . . . A 350 VAL CA . 31059 1 244 . 1 . 1 54 54 VAL CB C 13 30.328 0.139 . 1 . . . . A 350 VAL CB . 31059 1 245 . 1 . 1 54 54 VAL CG1 C 13 20.330 0.042 . 2 . . . . A 350 VAL CG1 . 31059 1 246 . 1 . 1 54 54 VAL CG2 C 13 18.660 0.038 . 2 . . . . A 350 VAL CG2 . 31059 1 247 . 1 . 1 54 54 VAL N N 15 128.644 0.095 . 1 . . . . A 350 VAL N . 31059 1 248 . 1 . 1 55 55 GLN C C 13 171.079 0.055 . 1 . . . . A 351 GLN C . 31059 1 249 . 1 . 1 55 55 GLN CA C 13 51.932 0.043 . 1 . . . . A 351 GLN CA . 31059 1 250 . 1 . 1 55 55 GLN CB C 13 32.597 0.063 . 1 . . . . A 351 GLN CB . 31059 1 251 . 1 . 1 55 55 GLN CG C 13 27.510 0.022 . 1 . . . . A 351 GLN CG . 31059 1 252 . 1 . 1 55 55 GLN CD C 13 177.876 0.092 . 1 . . . . A 351 GLN CD . 31059 1 253 . 1 . 1 55 55 GLN N N 15 121.805 0.080 . 1 . . . . A 351 GLN N . 31059 1 254 . 1 . 1 56 56 SER C C 13 172.601 0.074 . 1 . . . . A 352 SER C . 31059 1 255 . 1 . 1 56 56 SER CA C 13 53.942 0.079 . 1 . . . . A 352 SER CA . 31059 1 256 . 1 . 1 56 56 SER CB C 13 63.316 0.071 . 1 . . . . A 352 SER CB . 31059 1 257 . 1 . 1 56 56 SER N N 15 117.874 0.092 . 1 . . . . A 352 SER N . 31059 1 258 . 1 . 1 57 57 LYS C C 13 172.212 0.061 . 1 . . . . A 353 LYS C . 31059 1 259 . 1 . 1 57 57 LYS CA C 13 53.473 0.058 . 1 . . . . A 353 LYS CA . 31059 1 260 . 1 . 1 57 57 LYS CB C 13 33.698 0.095 . 1 . . . . A 353 LYS CB . 31059 1 261 . 1 . 1 57 57 LYS CG C 13 23.680 0.073 . 1 . . . . A 353 LYS CG . 31059 1 262 . 1 . 1 57 57 LYS CD C 13 28.007 0.063 . 1 . . . . A 353 LYS CD . 31059 1 263 . 1 . 1 57 57 LYS CE C 13 40.825 0.096 . 1 . . . . A 353 LYS CE . 31059 1 264 . 1 . 1 57 57 LYS N N 15 132.695 0.100 . 1 . . . . A 353 LYS N . 31059 1 265 . 1 . 1 58 58 ILE C C 13 175.305 0.078 . 1 . . . . A 354 ILE C . 31059 1 266 . 1 . 1 58 58 ILE CA C 13 57.119 0.058 . 1 . . . . A 354 ILE CA . 31059 1 267 . 1 . 1 58 58 ILE CB C 13 40.767 0.063 . 1 . . . . A 354 ILE CB . 31059 1 268 . 1 . 1 58 58 ILE CG1 C 13 25.289 0.086 . 1 . . . . A 354 ILE CG1 . 31059 1 269 . 1 . 1 58 58 ILE CG2 C 13 15.918 0.047 . 1 . . . . A 354 ILE CG2 . 31059 1 270 . 1 . 1 58 58 ILE CD1 C 13 12.466 0.083 . 1 . . . . A 354 ILE CD1 . 31059 1 271 . 1 . 1 58 58 ILE N N 15 125.569 0.111 . 1 . . . . A 354 ILE N . 31059 1 272 . 1 . 1 59 59 GLY C C 13 171.720 0.021 . 1 . . . . A 355 GLY C . 31059 1 273 . 1 . 1 59 59 GLY CA C 13 46.692 0.120 . 1 . . . . A 355 GLY CA . 31059 1 274 . 1 . 1 59 59 GLY N N 15 118.634 0.120 . 1 . . . . A 355 GLY N . 31059 1 275 . 1 . 1 60 60 SER C C 13 169.213 0.039 . 1 . . . . A 356 SER C . 31059 1 276 . 1 . 1 60 60 SER CA C 13 54.361 0.095 . 1 . . . . A 356 SER CA . 31059 1 277 . 1 . 1 60 60 SER CB C 13 63.866 0.076 . 1 . . . . A 356 SER CB . 31059 1 278 . 1 . 1 60 60 SER N N 15 115.498 0.108 . 1 . . . . A 356 SER N . 31059 1 279 . 1 . 1 61 61 LEU CA C 13 52.295 0.041 . 1 . . . . A 357 LEU CA . 31059 1 280 . 1 . 1 61 61 LEU CB C 13 43.482 0.085 . 1 . . . . A 357 LEU CB . 31059 1 281 . 1 . 1 61 61 LEU CG C 13 27.375 0.075 . 1 . . . . A 357 LEU CG . 31059 1 282 . 1 . 1 61 61 LEU CD1 C 13 23.885 0.044 . 2 . . . . A 357 LEU CD1 . 31059 1 283 . 1 . 1 61 61 LEU CD2 C 13 22.791 0.054 . 2 . . . . A 357 LEU CD2 . 31059 1 284 . 1 . 1 61 61 LEU N N 15 129.010 0.216 . 1 . . . . A 357 LEU N . 31059 1 stop_ save_