data_52060 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52060 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the region 310-350 for TDP-43 C-terminal domain engineered variant 5M to A inside CR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-29 _Entry.Accession_date 2023-07-29 _Entry.Last_release_date 2023-07-31 _Entry.Original_release_date 2023-07-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR assignment of region 310-350 of the the 5M-A CR mutant of TDP-43 CTD' _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 Priyesh Mohanty . . . 0000-0003-3919-3527 52060 2 'Jayakrishna Shenoy' 'Krishnashenoy Padmabai' . . . 0000-0002-0360-645X 52060 3 Azamat Rizuan . . . 0000-0003-3590-0829 52060 4 Jose 'Mercado Ortiz' . . . . 52060 5 Nicolas Fawzi . . . 0000-0001-5483-0577 52060 6 Jeetain Mittal . . . 0000-0002-9725-6402 52060 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Brown University' . 52060 2 . 'Texas A&M University' . 52060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 77 52060 '15N chemical shifts' 39 52060 '1H chemical shifts' 39 52060 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 . . 2023-10-28 . original BMRB . 52060 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52061 'the region 310-350 for TDP-43 C-terminal domain engineered variant 6F to A' 52060 BMRB 52062 'the region 310-350 for TDP-43 C-terminal domain engineered variant 5M to A outside CR' 52060 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52060 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37579155 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A synergy between site-specific and transient interactions drives the phase separation of a disordered, low-complexity domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 120 _Citation.Journal_issue 34 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2305625120 _Citation.Page_last e2305625120 _Citation.Year 2023 _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 Priyesh Mohanty . . . . 52060 1 2 'Jayakrishna Shenoy' 'Krishnashenoy Padmabai' . . . . 52060 1 3 Azamat Rizuan . . . . 52060 1 4 Jose 'Mercado Ortiz' . F. . . 52060 1 5 Nicolas Fawzi . L. . . 52060 1 6 Jeetain Mittal . . . . 52060 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'TDP-43, Phase separation, NMR' 52060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52060 _Assembly.ID 1 _Assembly.Name '5M to A IN' _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 '5M to A IN' 1 $entity_1 . . yes native no no . . . 52060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52060 _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 ; GHMNRQLERSGRFGGNPGGF GNQGGFGNSRGGGAGLGNNQ GSNMGGGMNFGAFSINPAAA AAAQAALQSSWGAAGALASQ QNQSGPSGNNQNQGNMQREP NQAFGSGNNSYSGSNSGAAI GWGSASNAGSGSGFNGGFGS SMDSKSSGWGM ; _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment '5M to A Inside CR' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 264 GLY . 52060 1 2 265 HIS . 52060 1 3 266 MET . 52060 1 4 267 ASN . 52060 1 5 268 ARG . 52060 1 6 269 GLN . 52060 1 7 270 LEU . 52060 1 8 271 GLU . 52060 1 9 272 ARG . 52060 1 10 273 SER . 52060 1 11 274 GLY . 52060 1 12 275 ARG . 52060 1 13 276 PHE . 52060 1 14 277 GLY . 52060 1 15 278 GLY . 52060 1 16 279 ASN . 52060 1 17 280 PRO . 52060 1 18 281 GLY . 52060 1 19 282 GLY . 52060 1 20 283 PHE . 52060 1 21 284 GLY . 52060 1 22 285 ASN . 52060 1 23 286 GLN . 52060 1 24 287 GLY . 52060 1 25 288 GLY . 52060 1 26 289 PHE . 52060 1 27 290 GLY . 52060 1 28 291 ASN . 52060 1 29 292 SER . 52060 1 30 293 ARG . 52060 1 31 294 GLY . 52060 1 32 295 GLY . 52060 1 33 296 GLY . 52060 1 34 297 ALA . 52060 1 35 298 GLY . 52060 1 36 299 LEU . 52060 1 37 300 GLY . 52060 1 38 301 ASN . 52060 1 39 302 ASN . 52060 1 40 303 GLN . 52060 1 41 304 GLY . 52060 1 42 305 SER . 52060 1 43 306 ASN . 52060 1 44 307 MET . 52060 1 45 308 GLY . 52060 1 46 309 GLY . 52060 1 47 310 GLY . 52060 1 48 311 MET . 52060 1 49 312 ASN . 52060 1 50 313 PHE . 52060 1 51 314 GLY . 52060 1 52 315 ALA . 52060 1 53 316 PHE . 52060 1 54 317 SER . 52060 1 55 318 ILE . 52060 1 56 319 ASN . 52060 1 57 320 PRO . 52060 1 58 321 ALA . 52060 1 59 322 ALA . 52060 1 60 323 ALA . 52060 1 61 324 ALA . 52060 1 62 325 ALA . 52060 1 63 326 ALA . 52060 1 64 327 GLN . 52060 1 65 328 ALA . 52060 1 66 329 ALA . 52060 1 67 330 LEU . 52060 1 68 331 GLN . 52060 1 69 332 SER . 52060 1 70 333 SER . 52060 1 71 334 TRP . 52060 1 72 335 GLY . 52060 1 73 336 ALA . 52060 1 74 337 ALA . 52060 1 75 338 GLY . 52060 1 76 339 ALA . 52060 1 77 340 LEU . 52060 1 78 341 ALA . 52060 1 79 342 SER . 52060 1 80 343 GLN . 52060 1 81 344 GLN . 52060 1 82 345 ASN . 52060 1 83 346 GLN . 52060 1 84 347 SER . 52060 1 85 348 GLY . 52060 1 86 349 PRO . 52060 1 87 350 SER . 52060 1 88 351 GLY . 52060 1 89 352 ASN . 52060 1 90 353 ASN . 52060 1 91 354 GLN . 52060 1 92 355 ASN . 52060 1 93 356 GLN . 52060 1 94 357 GLY . 52060 1 95 358 ASN . 52060 1 96 359 MET . 52060 1 97 360 GLN . 52060 1 98 361 ARG . 52060 1 99 362 GLU . 52060 1 100 363 PRO . 52060 1 101 364 ASN . 52060 1 102 365 GLN . 52060 1 103 366 ALA . 52060 1 104 367 PHE . 52060 1 105 368 GLY . 52060 1 106 369 SER . 52060 1 107 370 GLY . 52060 1 108 371 ASN . 52060 1 109 372 ASN . 52060 1 110 373 SER . 52060 1 111 374 TYR . 52060 1 112 375 SER . 52060 1 113 376 GLY . 52060 1 114 377 SER . 52060 1 115 378 ASN . 52060 1 116 379 SER . 52060 1 117 380 GLY . 52060 1 118 381 ALA . 52060 1 119 382 ALA . 52060 1 120 383 ILE . 52060 1 121 384 GLY . 52060 1 122 385 TRP . 52060 1 123 386 GLY . 52060 1 124 387 SER . 52060 1 125 388 ALA . 52060 1 126 389 SER . 52060 1 127 390 ASN . 52060 1 128 391 ALA . 52060 1 129 392 GLY . 52060 1 130 393 SER . 52060 1 131 394 GLY . 52060 1 132 395 SER . 52060 1 133 396 GLY . 52060 1 134 397 PHE . 52060 1 135 398 ASN . 52060 1 136 399 GLY . 52060 1 137 400 GLY . 52060 1 138 401 PHE . 52060 1 139 402 GLY . 52060 1 140 403 SER . 52060 1 141 404 SER . 52060 1 142 405 MET . 52060 1 143 406 ASP . 52060 1 144 407 SER . 52060 1 145 408 LYS . 52060 1 146 409 SER . 52060 1 147 410 SER . 52060 1 148 411 GLY . 52060 1 149 412 TRP . 52060 1 150 413 GLY . 52060 1 151 414 MET . 52060 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52060 1 . HIS 2 2 52060 1 . MET 3 3 52060 1 . ASN 4 4 52060 1 . ARG 5 5 52060 1 . GLN 6 6 52060 1 . LEU 7 7 52060 1 . GLU 8 8 52060 1 . ARG 9 9 52060 1 . SER 10 10 52060 1 . GLY 11 11 52060 1 . ARG 12 12 52060 1 . PHE 13 13 52060 1 . GLY 14 14 52060 1 . GLY 15 15 52060 1 . ASN 16 16 52060 1 . PRO 17 17 52060 1 . GLY 18 18 52060 1 . GLY 19 19 52060 1 . PHE 20 20 52060 1 . GLY 21 21 52060 1 . ASN 22 22 52060 1 . GLN 23 23 52060 1 . GLY 24 24 52060 1 . GLY 25 25 52060 1 . PHE 26 26 52060 1 . GLY 27 27 52060 1 . ASN 28 28 52060 1 . SER 29 29 52060 1 . ARG 30 30 52060 1 . GLY 31 31 52060 1 . GLY 32 32 52060 1 . GLY 33 33 52060 1 . ALA 34 34 52060 1 . GLY 35 35 52060 1 . LEU 36 36 52060 1 . GLY 37 37 52060 1 . ASN 38 38 52060 1 . ASN 39 39 52060 1 . GLN 40 40 52060 1 . GLY 41 41 52060 1 . SER 42 42 52060 1 . ASN 43 43 52060 1 . MET 44 44 52060 1 . GLY 45 45 52060 1 . GLY 46 46 52060 1 . GLY 47 47 52060 1 . MET 48 48 52060 1 . ASN 49 49 52060 1 . PHE 50 50 52060 1 . GLY 51 51 52060 1 . ALA 52 52 52060 1 . PHE 53 53 52060 1 . SER 54 54 52060 1 . ILE 55 55 52060 1 . ASN 56 56 52060 1 . PRO 57 57 52060 1 . ALA 58 58 52060 1 . ALA 59 59 52060 1 . ALA 60 60 52060 1 . ALA 61 61 52060 1 . ALA 62 62 52060 1 . ALA 63 63 52060 1 . GLN 64 64 52060 1 . ALA 65 65 52060 1 . ALA 66 66 52060 1 . LEU 67 67 52060 1 . GLN 68 68 52060 1 . SER 69 69 52060 1 . SER 70 70 52060 1 . TRP 71 71 52060 1 . GLY 72 72 52060 1 . ALA 73 73 52060 1 . ALA 74 74 52060 1 . GLY 75 75 52060 1 . ALA 76 76 52060 1 . LEU 77 77 52060 1 . ALA 78 78 52060 1 . SER 79 79 52060 1 . GLN 80 80 52060 1 . GLN 81 81 52060 1 . ASN 82 82 52060 1 . GLN 83 83 52060 1 . SER 84 84 52060 1 . GLY 85 85 52060 1 . PRO 86 86 52060 1 . SER 87 87 52060 1 . GLY 88 88 52060 1 . ASN 89 89 52060 1 . ASN 90 90 52060 1 . GLN 91 91 52060 1 . ASN 92 92 52060 1 . GLN 93 93 52060 1 . GLY 94 94 52060 1 . ASN 95 95 52060 1 . MET 96 96 52060 1 . GLN 97 97 52060 1 . ARG 98 98 52060 1 . GLU 99 99 52060 1 . PRO 100 100 52060 1 . ASN 101 101 52060 1 . GLN 102 102 52060 1 . ALA 103 103 52060 1 . PHE 104 104 52060 1 . GLY 105 105 52060 1 . SER 106 106 52060 1 . GLY 107 107 52060 1 . ASN 108 108 52060 1 . ASN 109 109 52060 1 . SER 110 110 52060 1 . TYR 111 111 52060 1 . SER 112 112 52060 1 . GLY 113 113 52060 1 . SER 114 114 52060 1 . ASN 115 115 52060 1 . SER 116 116 52060 1 . GLY 117 117 52060 1 . ALA 118 118 52060 1 . ALA 119 119 52060 1 . ILE 120 120 52060 1 . GLY 121 121 52060 1 . TRP 122 122 52060 1 . GLY 123 123 52060 1 . SER 124 124 52060 1 . ALA 125 125 52060 1 . SER 126 126 52060 1 . ASN 127 127 52060 1 . ALA 128 128 52060 1 . GLY 129 129 52060 1 . SER 130 130 52060 1 . GLY 131 131 52060 1 . SER 132 132 52060 1 . GLY 133 133 52060 1 . PHE 134 134 52060 1 . ASN 135 135 52060 1 . GLY 136 136 52060 1 . GLY 137 137 52060 1 . PHE 138 138 52060 1 . GLY 139 139 52060 1 . SER 140 140 52060 1 . SER 141 141 52060 1 . MET 142 142 52060 1 . ASP 143 143 52060 1 . SER 144 144 52060 1 . LYS 145 145 52060 1 . SER 146 146 52060 1 . SER 147 147 52060 1 . GLY 148 148 52060 1 . TRP 149 149 52060 1 . GLY 150 150 52060 1 . MET 151 151 52060 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 52060 _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 . . . . . . . . . . . . . 52060 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 52060 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pJ411 . . . 52060 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52060 _Sample.ID 1 _Sample.Name '20 uM 5M to A Inside TDP-43 CTD mutant at pH 6.1 and 298K' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '5M to A IN' '[U-100% 15N]' . . 1 $entity_1 . . 20 . . uM . . . . 52060 1 2 '5M to A IN' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 20 . . uM . . . . 52060 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 52060 _Sample_condition_list.ID 1 _Sample_condition_list.Name '5M to A IN TDP-43 CTD' _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 . M 52060 1 pH 6.1 . pH 52060 1 pressure 1 . atm 52060 1 temperature 298 . K 52060 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52060 _Software.ID 1 _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 'data analysis' . 52060 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52060 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 52060 _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 . . . . . . . . . . . . . . . . . 52060 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52060 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52060 1 4 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52060 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52060 1 6 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52060 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 52060 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Water _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25144953 . . . . . 52060 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52060 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 52060 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 52060 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NMR chemical shift of 310-350 5M to A in TDP-43 Mutant' _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' . . . 52060 1 2 '3D CBCA(CO)NH' . . . 52060 1 4 '3D CBCACONH' . . . 52060 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 . . 52060 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 47 47 GLY H H 1 8.311 . . . . . . . . 310 G HN . 52060 1 2 . 1 . 1 47 47 GLY CA C 13 45.299 . . . . . . . . 310 G CA . 52060 1 3 . 1 . 1 47 47 GLY N N 15 108.781 . . . . . . . . 310 G N . 52060 1 4 . 1 . 1 48 48 MET H H 1 8.204 . . . . . . . . 311 M HN . 52060 1 5 . 1 . 1 48 48 MET CA C 13 55.483 . . . . . . . . 311 M CA . 52060 1 6 . 1 . 1 48 48 MET CB C 13 32.882 . . . . . . . . 311 M CB . 52060 1 7 . 1 . 1 48 48 MET N N 15 119.399 . . . . . . . . 311 M N . 52060 1 8 . 1 . 1 49 49 ASN H H 1 8.347 . . . . . . . . 312 N HN . 52060 1 9 . 1 . 1 49 49 ASN CA C 13 53.047 . . . . . . . . 312 N CA . 52060 1 10 . 1 . 1 49 49 ASN CB C 13 38.796 . . . . . . . . 312 N CB . 52060 1 11 . 1 . 1 49 49 ASN N N 15 119.407 . . . . . . . . 312 N N . 52060 1 12 . 1 . 1 50 50 PHE H H 1 8.222 . . . . . . . . 313 F HN . 52060 1 13 . 1 . 1 50 50 PHE CA C 13 58.180 . . . . . . . . 313 F CA . 52060 1 14 . 1 . 1 50 50 PHE CB C 13 39.178 . . . . . . . . 313 F CB . 52060 1 15 . 1 . 1 50 50 PHE N N 15 120.861 . . . . . . . . 313 F N . 52060 1 16 . 1 . 1 51 51 GLY H H 1 8.303 . . . . . . . . 314 G HN . 52060 1 17 . 1 . 1 51 51 GLY CA C 13 45.431 . . . . . . . . 314 G CA . 52060 1 18 . 1 . 1 51 51 GLY N N 15 110.042 . . . . . . . . 314 G N . 52060 1 19 . 1 . 1 52 52 ALA H H 1 8.017 . . . . . . . . 315 A HN . 52060 1 20 . 1 . 1 52 52 ALA CA C 13 52.705 . . . . . . . . 315 A CA . 52060 1 21 . 1 . 1 52 52 ALA CB C 13 19.056 . . . . . . . . 315 A CB . 52060 1 22 . 1 . 1 52 52 ALA N N 15 123.597 . . . . . . . . 315 A N . 52060 1 23 . 1 . 1 53 53 PHE H H 1 8.080 . . . . . . . . 316 F HN . 52060 1 24 . 1 . 1 53 53 PHE CA C 13 57.587 . . . . . . . . 316 F CA . 52060 1 25 . 1 . 1 53 53 PHE CB C 13 39.525 . . . . . . . . 316 F CB . 52060 1 26 . 1 . 1 53 53 PHE N N 15 118.363 . . . . . . . . 316 F N . 52060 1 27 . 1 . 1 54 54 SER H H 1 8.046 . . . . . . . . 317 S HN . 52060 1 28 . 1 . 1 54 54 SER CA C 13 58.222 . . . . . . . . 317 S CA . 52060 1 29 . 1 . 1 54 54 SER CB C 13 64.096 . . . . . . . . 317 S CB . 52060 1 30 . 1 . 1 54 54 SER N N 15 116.757 . . . . . . . . 317 S N . 52060 1 31 . 1 . 1 55 55 ILE H H 1 8.058 . . . . . . . . 318 I HN . 52060 1 32 . 1 . 1 55 55 ILE CA C 13 61.089 . . . . . . . . 318 I CA . 52060 1 33 . 1 . 1 55 55 ILE CB C 13 38.881 . . . . . . . . 318 I CB . 52060 1 34 . 1 . 1 55 55 ILE N N 15 121.685 . . . . . . . . 318 I N . 52060 1 35 . 1 . 1 56 56 ASN H H 1 8.410 . . . . . . . . 319 N HN . 52060 1 36 . 1 . 1 56 56 ASN CA C 13 51.116 . . . . . . . . 319 N CA . 52060 1 37 . 1 . 1 56 56 ASN CB C 13 38.821 . . . . . . . . 319 N CB . 52060 1 38 . 1 . 1 56 56 ASN N N 15 123.190 . . . . . . . . 319 N N . 52060 1 39 . 1 . 1 57 57 PRO CA C 13 64.361 . . . . . . . . 320 P CA . 52060 1 40 . 1 . 1 57 57 PRO CB C 13 31.995 . . . . . . . . 320 P CB . 52060 1 41 . 1 . 1 58 58 ALA H H 1 8.150 . . . . . . . . 321 A HN . 52060 1 42 . 1 . 1 58 58 ALA CA C 13 53.512 . . . . . . . . 321 A CA . 52060 1 43 . 1 . 1 58 58 ALA CB C 13 18.551 . . . . . . . . 321 A CB . 52060 1 44 . 1 . 1 58 58 ALA N N 15 121.863 . . . . . . . . 321 A N . 52060 1 45 . 1 . 1 59 59 ALA H H 1 7.907 . . . . . . . . 322 A HN . 52060 1 46 . 1 . 1 59 59 ALA CA C 13 53.452 . . . . . . . . 322 A CA . 52060 1 47 . 1 . 1 59 59 ALA CB C 13 18.650 . . . . . . . . 322 A CB . 52060 1 48 . 1 . 1 59 59 ALA N N 15 122.552 . . . . . . . . 322 A N . 52060 1 49 . 1 . 1 60 60 ALA H H 1 8.092 . . . . . . . . 323 A HN . 52060 1 50 . 1 . 1 60 60 ALA CA C 13 53.708 . . . . . . . . 323 A CA . 52060 1 51 . 1 . 1 60 60 ALA CB C 13 18.461 . . . . . . . . 323 A CB . 52060 1 52 . 1 . 1 60 60 ALA N N 15 121.966 . . . . . . . . 323 A N . 52060 1 53 . 1 . 1 61 61 ALA H H 1 8.094 . . . . . . . . 324 A HN . 52060 1 54 . 1 . 1 61 61 ALA CA C 13 53.637 . . . . . . . . 324 A CA . 52060 1 55 . 1 . 1 61 61 ALA CB C 13 18.599 . . . . . . . . 324 A CB . 52060 1 56 . 1 . 1 61 61 ALA N N 15 122.572 . . . . . . . . 324 A N . 52060 1 57 . 1 . 1 62 62 ALA H H 1 8.023 . . . . . . . . 325 A HN . 52060 1 58 . 1 . 1 62 62 ALA CA C 13 53.678 . . . . . . . . 325 A CA . 52060 1 59 . 1 . 1 62 62 ALA CB C 13 18.526 . . . . . . . . 325 A CB . 52060 1 60 . 1 . 1 62 62 ALA N N 15 122.161 . . . . . . . . 325 A N . 52060 1 61 . 1 . 1 63 63 ALA H H 1 8.025 . . . . . . . . 326 A HN . 52060 1 62 . 1 . 1 63 63 ALA CA C 13 53.658 . . . . . . . . 326 A CA . 52060 1 63 . 1 . 1 63 63 ALA CB C 13 18.510 . . . . . . . . 326 A CB . 52060 1 64 . 1 . 1 63 63 ALA N N 15 122.125 . . . . . . . . 326 A N . 52060 1 65 . 1 . 1 64 64 GLN H H 1 8.049 . . . . . . . . 327 Q HN . 52060 1 66 . 1 . 1 64 64 GLN CA C 13 57.095 . . . . . . . . 327 Q CA . 52060 1 67 . 1 . 1 64 64 GLN CB C 13 28.823 . . . . . . . . 327 Q CB . 52060 1 68 . 1 . 1 64 64 GLN N N 15 118.412 . . . . . . . . 327 Q N . 52060 1 69 . 1 . 1 65 65 ALA H H 1 8.083 . . . . . . . . 328 A HN . 52060 1 70 . 1 . 1 65 65 ALA CA C 13 53.611 . . . . . . . . 328 A CA . 52060 1 71 . 1 . 1 65 65 ALA CB C 13 18.426 . . . . . . . . 328 A CB . 52060 1 72 . 1 . 1 65 65 ALA N N 15 123.426 . . . . . . . . 328 A N . 52060 1 73 . 1 . 1 66 66 ALA H H 1 7.958 . . . . . . . . 329 A HN . 52060 1 74 . 1 . 1 66 66 ALA CA C 13 53.234 . . . . . . . . 329 A CA . 52060 1 75 . 1 . 1 66 66 ALA CB C 13 18.591 . . . . . . . . 329 A CB . 52060 1 76 . 1 . 1 66 66 ALA N N 15 121.415 . . . . . . . . 329 A N . 52060 1 77 . 1 . 1 67 67 LEU H H 1 7.875 . . . . . . . . 330 L HN . 52060 1 78 . 1 . 1 67 67 LEU CA C 13 55.886 . . . . . . . . 330 L CA . 52060 1 79 . 1 . 1 67 67 LEU CB C 13 42.238 . . . . . . . . 330 L CB . 52060 1 80 . 1 . 1 67 67 LEU N N 15 120.067 . . . . . . . . 330 L N . 52060 1 81 . 1 . 1 68 68 GLN H H 1 8.095 . . . . . . . . 331 Q HN . 52060 1 82 . 1 . 1 68 68 GLN CA C 13 56.426 . . . . . . . . 331 Q CA . 52060 1 83 . 1 . 1 68 68 GLN CB C 13 28.992 . . . . . . . . 331 Q CB . 52060 1 84 . 1 . 1 68 68 GLN N N 15 119.545 . . . . . . . . 331 Q N . 52060 1 85 . 1 . 1 69 69 SER H H 1 8.156 . . . . . . . . 332 S HN . 52060 1 86 . 1 . 1 69 69 SER CA C 13 58.915 . . . . . . . . 332 S CA . 52060 1 87 . 1 . 1 69 69 SER CB C 13 63.780 . . . . . . . . 332 S CB . 52060 1 88 . 1 . 1 69 69 SER N N 15 115.834 . . . . . . . . 332 S N . 52060 1 89 . 1 . 1 70 70 SER H H 1 8.135 . . . . . . . . 333 S HN . 52060 1 90 . 1 . 1 70 70 SER CA C 13 58.867 . . . . . . . . 333 S CA . 52060 1 91 . 1 . 1 70 70 SER CB C 13 63.784 . . . . . . . . 333 S CB . 52060 1 92 . 1 . 1 70 70 SER N N 15 117.245 . . . . . . . . 333 S N . 52060 1 93 . 1 . 1 71 71 TRP H H 1 8.060 . . . . . . . . 334 W HN . 52060 1 94 . 1 . 1 71 71 TRP CA C 13 57.642 . . . . . . . . 334 W CA . 52060 1 95 . 1 . 1 71 71 TRP CB C 13 29.473 . . . . . . . . 334 W CB . 52060 1 96 . 1 . 1 71 71 TRP N N 15 122.601 . . . . . . . . 334 W N . 52060 1 97 . 1 . 1 72 72 GLY H H 1 8.153 . . . . . . . . 335 G HN . 52060 1 98 . 1 . 1 72 72 GLY CA C 13 45.442 . . . . . . . . 335 G CA . 52060 1 99 . 1 . 1 72 72 GLY N N 15 109.985 . . . . . . . . 335 G N . 52060 1 100 . 1 . 1 73 73 ALA H H 1 8.053 . . . . . . . . 336 A HN . 52060 1 101 . 1 . 1 73 73 ALA CA C 13 52.820 . . . . . . . . 336 A CA . 52060 1 102 . 1 . 1 73 73 ALA CB C 13 19.043 . . . . . . . . 336 A CB . 52060 1 103 . 1 . 1 73 73 ALA N N 15 123.897 . . . . . . . . 336 A N . 52060 1 104 . 1 . 1 74 74 ALA H H 1 8.275 . . . . . . . . 337 A HN . 52060 1 105 . 1 . 1 74 74 ALA CA C 13 52.977 . . . . . . . . 337 A CA . 52060 1 106 . 1 . 1 74 74 ALA CB C 13 18.994 . . . . . . . . 337 A CB . 52060 1 107 . 1 . 1 74 74 ALA N N 15 122.453 . . . . . . . . 337 A N . 52060 1 108 . 1 . 1 75 75 GLY H H 1 8.219 . . . . . . . . 338 G HN . 52060 1 109 . 1 . 1 75 75 GLY CA C 13 45.419 . . . . . . . . 338 G CA . 52060 1 110 . 1 . 1 75 75 GLY N N 15 107.703 . . . . . . . . 338 G N . 52060 1 111 . 1 . 1 76 76 ALA H H 1 8.034 . . . . . . . . 339 A HN . 52060 1 112 . 1 . 1 76 76 ALA CA C 13 52.920 . . . . . . . . 339 A CA . 52060 1 113 . 1 . 1 76 76 ALA CB C 13 19.023 . . . . . . . . 339 A CB . 52060 1 114 . 1 . 1 76 76 ALA N N 15 123.556 . . . . . . . . 339 A N . 52060 1 115 . 1 . 1 77 77 LEU H H 1 8.102 . . . . . . . . 340 L HN . 52060 1 116 . 1 . 1 77 77 LEU CA C 13 55.471 . . . . . . . . 340 L CA . 52060 1 117 . 1 . 1 77 77 LEU CB C 13 42.254 . . . . . . . . 340 L CB . 52060 1 118 . 1 . 1 77 77 LEU N N 15 120.562 . . . . . . . . 340 L N . 52060 1 119 . 1 . 1 78 78 ALA H H 1 8.161 . . . . . . . . 341 A HN . 52060 1 120 . 1 . 1 78 78 ALA CA C 13 53.060 . . . . . . . . 341 A CA . 52060 1 121 . 1 . 1 78 78 ALA CB C 13 18.939 . . . . . . . . 341 A CB . 52060 1 122 . 1 . 1 78 78 ALA N N 15 124.056 . . . . . . . . 341 A N . 52060 1 123 . 1 . 1 79 79 SER H H 1 8.114 . . . . . . . . 342 S HN . 52060 1 124 . 1 . 1 79 79 SER CA C 13 58.727 . . . . . . . . 342 S CA . 52060 1 125 . 1 . 1 79 79 SER CB C 13 63.780 . . . . . . . . 342 S CB . 52060 1 126 . 1 . 1 79 79 SER N N 15 113.956 . . . . . . . . 342 S N . 52060 1 127 . 1 . 1 80 80 GLN H H 1 8.240 . . . . . . . . 343 Q HN . 52060 1 128 . 1 . 1 80 80 GLN CA C 13 56.175 . . . . . . . . 343 Q CA . 52060 1 129 . 1 . 1 80 80 GLN CB C 13 29.243 . . . . . . . . 343 Q CB . 52060 1 130 . 1 . 1 80 80 GLN N N 15 121.556 . . . . . . . . 343 Q N . 52060 1 131 . 1 . 1 81 81 GLN H H 1 8.286 . . . . . . . . 344 Q HN . 52060 1 132 . 1 . 1 81 81 GLN CA C 13 56.167 . . . . . . . . 344 Q CA . 52060 1 133 . 1 . 1 81 81 GLN CB C 13 29.334 . . . . . . . . 344 Q CB . 52060 1 134 . 1 . 1 81 81 GLN N N 15 120.471 . . . . . . . . 344 Q N . 52060 1 135 . 1 . 1 82 82 ASN H H 1 8.428 . . . . . . . . 345 N HN . 52060 1 136 . 1 . 1 82 82 ASN CA C 13 53.448 . . . . . . . . 345 N CA . 52060 1 137 . 1 . 1 82 82 ASN CB C 13 38.814 . . . . . . . . 345 N CB . 52060 1 138 . 1 . 1 82 82 ASN N N 15 119.329 . . . . . . . . 345 N N . 52060 1 139 . 1 . 1 83 83 GLN H H 1 8.383 . . . . . . . . 346 Q HN . 52060 1 140 . 1 . 1 83 83 GLN CA C 13 56.057 . . . . . . . . 346 Q CA . 52060 1 141 . 1 . 1 83 83 GLN CB C 13 29.372 . . . . . . . . 346 Q CB . 52060 1 142 . 1 . 1 83 83 GLN N N 15 120.725 . . . . . . . . 346 Q N . 52060 1 143 . 1 . 1 84 84 SER H H 1 8.362 . . . . . . . . 347 S HN . 52060 1 144 . 1 . 1 84 84 SER CA C 13 58.483 . . . . . . . . 347 S CA . 52060 1 145 . 1 . 1 84 84 SER CB C 13 64.118 . . . . . . . . 347 S CB . 52060 1 146 . 1 . 1 84 84 SER N N 15 116.697 . . . . . . . . 347 S N . 52060 1 147 . 1 . 1 85 85 GLY H H 1 8.213 . . . . . . . . 348 G HN . 52060 1 148 . 1 . 1 85 85 GLY CA C 13 44.722 . . . . . . . . 348 G CA . 52060 1 149 . 1 . 1 85 85 GLY N N 15 110.515 . . . . . . . . 348 G N . 52060 1 150 . 1 . 1 86 86 PRO CA C 13 63.504 . . . . . . . . 349 P CA . 52060 1 151 . 1 . 1 86 86 PRO CB C 13 32.068 . . . . . . . . 349 P CB . 52060 1 152 . 1 . 1 87 87 SER H H 1 8.465 . . . . . . . . 350 S HN . 52060 1 153 . 1 . 1 87 87 SER CA C 13 58.562 . . . . . . . . 350 S CA . 52060 1 154 . 1 . 1 87 87 SER CB C 13 64.113 . . . . . . . . 350 S CB . 52060 1 155 . 1 . 1 87 87 SER N N 15 115.914 . . . . . . . . 350 S N . 52060 1 stop_ save_