data_53381 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53381 _Entry.Title ; 1H, 15N, CA Chemical Shift Assignments for the region 300-360 for TDP-43 C-terminal domain at pH 7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-06 _Entry.Accession_date 2025-10-06 _Entry.Last_release_date 2025-10-06 _Entry.Original_release_date 2025-10-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 'Jayakrishna Shenoy' 'Krishnashenoy Padmabai' . . . . 53381 2 'Nicolas L.' Fawzi . . . . 53381 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' . 53381 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53381 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 58 53381 '15N chemical shifts' 58 53381 '1H chemical shifts' 58 53381 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 . . 2025-10-31 . original BMRB . 53381 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53381 _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 ; Structural details of helix-mediated multimerization of the conserved region of TDP-43 C-terminal domain ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Jayakrishna Shenoy' 'Krishnashenoy Padmabai' . . . . 53381 1 2 'Nicolas L.' Fawzi . . . . 53381 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53381 _Assembly.ID 1 _Assembly.Name TDP-43_CTD _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 TDP-43_CTD 1 $entity_1 . . yes native no no . . . 53381 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53381 _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 GSNMGGGMNFGAFSINPAMM AAAQAALQSSWGMMGMLASQ 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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 53381 1 2 265 HIS . 53381 1 3 266 MET . 53381 1 4 267 ASN . 53381 1 5 268 ARG . 53381 1 6 269 GLN . 53381 1 7 270 LEU . 53381 1 8 271 GLU . 53381 1 9 272 ARG . 53381 1 10 273 SER . 53381 1 11 274 GLY . 53381 1 12 275 ARG . 53381 1 13 276 PHE . 53381 1 14 277 GLY . 53381 1 15 278 GLY . 53381 1 16 279 ASN . 53381 1 17 280 PRO . 53381 1 18 281 GLY . 53381 1 19 282 GLY . 53381 1 20 283 PHE . 53381 1 21 284 GLY . 53381 1 22 285 ASN . 53381 1 23 286 GLN . 53381 1 24 287 GLY . 53381 1 25 288 GLY . 53381 1 26 289 PHE . 53381 1 27 290 GLY . 53381 1 28 291 ASN . 53381 1 29 292 SER . 53381 1 30 293 ARG . 53381 1 31 294 GLY . 53381 1 32 295 GLY . 53381 1 33 296 GLY . 53381 1 34 297 ALA . 53381 1 35 298 GLY . 53381 1 36 299 LEU . 53381 1 37 300 GLY . 53381 1 38 301 ASN . 53381 1 39 302 ASN . 53381 1 40 303 GLN . 53381 1 41 304 GLY . 53381 1 42 305 SER . 53381 1 43 306 ASN . 53381 1 44 307 MET . 53381 1 45 308 GLY . 53381 1 46 309 GLY . 53381 1 47 310 GLY . 53381 1 48 311 MET . 53381 1 49 312 ASN . 53381 1 50 313 PHE . 53381 1 51 314 GLY . 53381 1 52 315 ALA . 53381 1 53 316 PHE . 53381 1 54 317 SER . 53381 1 55 318 ILE . 53381 1 56 319 ASN . 53381 1 57 320 PRO . 53381 1 58 321 ALA . 53381 1 59 322 MET . 53381 1 60 323 MET . 53381 1 61 324 ALA . 53381 1 62 325 ALA . 53381 1 63 326 ALA . 53381 1 64 327 GLN . 53381 1 65 328 ALA . 53381 1 66 329 ALA . 53381 1 67 330 LEU . 53381 1 68 331 GLN . 53381 1 69 332 SER . 53381 1 70 333 SER . 53381 1 71 334 TRP . 53381 1 72 335 GLY . 53381 1 73 336 MET . 53381 1 74 337 MET . 53381 1 75 338 GLY . 53381 1 76 339 MET . 53381 1 77 340 LEU . 53381 1 78 341 ALA . 53381 1 79 342 SER . 53381 1 80 343 GLN . 53381 1 81 344 GLN . 53381 1 82 345 ASN . 53381 1 83 346 GLN . 53381 1 84 347 SER . 53381 1 85 348 GLY . 53381 1 86 349 PRO . 53381 1 87 350 SER . 53381 1 88 351 GLY . 53381 1 89 352 ASN . 53381 1 90 353 ASN . 53381 1 91 354 GLN . 53381 1 92 355 ASN . 53381 1 93 356 GLN . 53381 1 94 357 GLY . 53381 1 95 358 ASN . 53381 1 96 359 MET . 53381 1 97 360 GLN . 53381 1 98 361 ARG . 53381 1 99 362 GLU . 53381 1 100 363 PRO . 53381 1 101 364 ASN . 53381 1 102 365 GLN . 53381 1 103 366 ALA . 53381 1 104 367 PHE . 53381 1 105 368 GLY . 53381 1 106 369 SER . 53381 1 107 370 GLY . 53381 1 108 371 ASN . 53381 1 109 372 ASN . 53381 1 110 373 SER . 53381 1 111 374 TYR . 53381 1 112 375 SER . 53381 1 113 376 GLY . 53381 1 114 377 SER . 53381 1 115 378 ASN . 53381 1 116 379 SER . 53381 1 117 380 GLY . 53381 1 118 381 ALA . 53381 1 119 382 ALA . 53381 1 120 383 ILE . 53381 1 121 384 GLY . 53381 1 122 385 TRP . 53381 1 123 386 GLY . 53381 1 124 387 SER . 53381 1 125 388 ALA . 53381 1 126 389 SER . 53381 1 127 390 ASN . 53381 1 128 391 ALA . 53381 1 129 392 GLY . 53381 1 130 393 SER . 53381 1 131 394 GLY . 53381 1 132 395 SER . 53381 1 133 396 GLY . 53381 1 134 397 PHE . 53381 1 135 398 ASN . 53381 1 136 399 GLY . 53381 1 137 400 GLY . 53381 1 138 401 PHE . 53381 1 139 402 GLY . 53381 1 140 403 SER . 53381 1 141 404 SER . 53381 1 142 405 MET . 53381 1 143 406 ASP . 53381 1 144 407 SER . 53381 1 145 408 LYS . 53381 1 146 409 SER . 53381 1 147 410 SER . 53381 1 148 411 GLY . 53381 1 149 412 TRP . 53381 1 150 413 GLY . 53381 1 151 414 MET . 53381 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 53381 1 . HIS 2 2 53381 1 . MET 3 3 53381 1 . ASN 4 4 53381 1 . ARG 5 5 53381 1 . GLN 6 6 53381 1 . LEU 7 7 53381 1 . GLU 8 8 53381 1 . ARG 9 9 53381 1 . SER 10 10 53381 1 . GLY 11 11 53381 1 . ARG 12 12 53381 1 . PHE 13 13 53381 1 . GLY 14 14 53381 1 . GLY 15 15 53381 1 . ASN 16 16 53381 1 . PRO 17 17 53381 1 . GLY 18 18 53381 1 . GLY 19 19 53381 1 . PHE 20 20 53381 1 . GLY 21 21 53381 1 . ASN 22 22 53381 1 . GLN 23 23 53381 1 . GLY 24 24 53381 1 . GLY 25 25 53381 1 . PHE 26 26 53381 1 . GLY 27 27 53381 1 . ASN 28 28 53381 1 . SER 29 29 53381 1 . ARG 30 30 53381 1 . GLY 31 31 53381 1 . GLY 32 32 53381 1 . GLY 33 33 53381 1 . ALA 34 34 53381 1 . GLY 35 35 53381 1 . LEU 36 36 53381 1 . GLY 37 37 53381 1 . ASN 38 38 53381 1 . ASN 39 39 53381 1 . GLN 40 40 53381 1 . GLY 41 41 53381 1 . SER 42 42 53381 1 . ASN 43 43 53381 1 . MET 44 44 53381 1 . GLY 45 45 53381 1 . GLY 46 46 53381 1 . GLY 47 47 53381 1 . MET 48 48 53381 1 . ASN 49 49 53381 1 . PHE 50 50 53381 1 . GLY 51 51 53381 1 . ALA 52 52 53381 1 . PHE 53 53 53381 1 . SER 54 54 53381 1 . ILE 55 55 53381 1 . ASN 56 56 53381 1 . PRO 57 57 53381 1 . ALA 58 58 53381 1 . MET 59 59 53381 1 . MET 60 60 53381 1 . ALA 61 61 53381 1 . ALA 62 62 53381 1 . ALA 63 63 53381 1 . GLN 64 64 53381 1 . ALA 65 65 53381 1 . ALA 66 66 53381 1 . LEU 67 67 53381 1 . GLN 68 68 53381 1 . SER 69 69 53381 1 . SER 70 70 53381 1 . TRP 71 71 53381 1 . GLY 72 72 53381 1 . MET 73 73 53381 1 . MET 74 74 53381 1 . GLY 75 75 53381 1 . MET 76 76 53381 1 . LEU 77 77 53381 1 . ALA 78 78 53381 1 . SER 79 79 53381 1 . GLN 80 80 53381 1 . GLN 81 81 53381 1 . ASN 82 82 53381 1 . GLN 83 83 53381 1 . SER 84 84 53381 1 . GLY 85 85 53381 1 . PRO 86 86 53381 1 . SER 87 87 53381 1 . GLY 88 88 53381 1 . ASN 89 89 53381 1 . ASN 90 90 53381 1 . GLN 91 91 53381 1 . ASN 92 92 53381 1 . GLN 93 93 53381 1 . GLY 94 94 53381 1 . ASN 95 95 53381 1 . MET 96 96 53381 1 . GLN 97 97 53381 1 . ARG 98 98 53381 1 . GLU 99 99 53381 1 . PRO 100 100 53381 1 . ASN 101 101 53381 1 . GLN 102 102 53381 1 . ALA 103 103 53381 1 . PHE 104 104 53381 1 . GLY 105 105 53381 1 . SER 106 106 53381 1 . GLY 107 107 53381 1 . ASN 108 108 53381 1 . ASN 109 109 53381 1 . SER 110 110 53381 1 . TYR 111 111 53381 1 . SER 112 112 53381 1 . GLY 113 113 53381 1 . SER 114 114 53381 1 . ASN 115 115 53381 1 . SER 116 116 53381 1 . GLY 117 117 53381 1 . ALA 118 118 53381 1 . ALA 119 119 53381 1 . ILE 120 120 53381 1 . GLY 121 121 53381 1 . TRP 122 122 53381 1 . GLY 123 123 53381 1 . SER 124 124 53381 1 . ALA 125 125 53381 1 . SER 126 126 53381 1 . ASN 127 127 53381 1 . ALA 128 128 53381 1 . GLY 129 129 53381 1 . SER 130 130 53381 1 . GLY 131 131 53381 1 . SER 132 132 53381 1 . GLY 133 133 53381 1 . PHE 134 134 53381 1 . ASN 135 135 53381 1 . GLY 136 136 53381 1 . GLY 137 137 53381 1 . PHE 138 138 53381 1 . GLY 139 139 53381 1 . SER 140 140 53381 1 . SER 141 141 53381 1 . MET 142 142 53381 1 . ASP 143 143 53381 1 . SER 144 144 53381 1 . LYS 145 145 53381 1 . SER 146 146 53381 1 . SER 147 147 53381 1 . GLY 148 148 53381 1 . TRP 149 149 53381 1 . GLY 150 150 53381 1 . MET 151 151 53381 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 53381 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53381 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 53381 _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 . . . 53381 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53381 _Sample.ID 1 _Sample.Name 'TDP-43 CTD' _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 TDP-43_CTD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 13 . . uM . . . . 53381 1 2 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 53381 1 3 HEPES 'natural abundance' . . . . . . 20 . . uM . . . . 53381 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53381 1 5 D2O '[U-99% 2H]' . . . . . . 2.76 . . M . . . . 53381 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 53381 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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' 150 . mM 53381 1 pH 7 . pH 53381 1 pressure 1 . atm 53381 1 temperature 298 . K 53381 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53381 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53381 1 processing . 53381 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53381 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53381 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53381 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53381 3 'data analysis' . 53381 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 53381 _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 53381 _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 . . . . . . . . . . . . . . . . . 53381 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53381 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 53381 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 53381 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53381 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 53381 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 53381 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H, 15N, CA Chemical Shift Assignments for the region 300-360 for TDP-43 C-terminal domain at pH 7' _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' . . . 53381 1 2 '3D HNCA' . . . 53381 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 . . 53381 1 2 $software_2 . . 53381 1 3 $software_3 . . 53381 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 37 37 GLY H H 1 8.43 . . . . . . . . 300 GLY H . 53381 1 2 . 1 . 1 37 37 GLY CA C 13 45.42 . . . . . . . . 300 GLY CA . 53381 1 3 . 1 . 1 37 37 GLY N N 15 109.14 . . . . . . . . 300 GLY N . 53381 1 4 . 1 . 1 38 38 ASN H H 1 8.29 . . . . . . . . 301 ASN H . 53381 1 5 . 1 . 1 38 38 ASN CA C 13 53.29 . . . . . . . . 301 ASN CA . 53381 1 6 . 1 . 1 38 38 ASN N N 15 118.55 . . . . . . . . 301 ASN N . 53381 1 7 . 1 . 1 39 39 ASN H H 1 8.48 . . . . . . . . 302 ASN H . 53381 1 8 . 1 . 1 39 39 ASN CA C 13 53.55 . . . . . . . . 302 ASN CA . 53381 1 9 . 1 . 1 39 39 ASN N N 15 119.03 . . . . . . . . 302 ASN N . 53381 1 10 . 1 . 1 40 40 GLN H H 1 8.34 . . . . . . . . 303 GLN H . 53381 1 11 . 1 . 1 40 40 GLN CA C 13 56.35 . . . . . . . . 303 GLN CA . 53381 1 12 . 1 . 1 40 40 GLN N N 15 120.43 . . . . . . . . 303 GLN N . 53381 1 13 . 1 . 1 41 41 GLY H H 1 8.40 . . . . . . . . 304 GLY H . 53381 1 14 . 1 . 1 41 41 GLY CA C 13 45.44 . . . . . . . . 304 GLY CA . 53381 1 15 . 1 . 1 41 41 GLY N N 15 109.56 . . . . . . . . 304 GLY N . 53381 1 16 . 1 . 1 42 42 SER H H 1 8.23 . . . . . . . . 305 SER H . 53381 1 17 . 1 . 1 42 42 SER CA C 13 58.53 . . . . . . . . 305 SER CA . 53381 1 18 . 1 . 1 42 42 SER N N 15 115.56 . . . . . . . . 305 SER N . 53381 1 19 . 1 . 1 44 44 MET H H 1 8.31 . . . . . . . . 307 MET H . 53381 1 20 . 1 . 1 44 44 MET CA C 13 55.72 . . . . . . . . 307 MET CA . 53381 1 21 . 1 . 1 44 44 MET N N 15 120.30 . . . . . . . . 307 MET N . 53381 1 22 . 1 . 1 45 45 GLY H H 1 8.39 . . . . . . . . 308 GLY H . 53381 1 23 . 1 . 1 45 45 GLY CA C 13 45.50 . . . . . . . . 308 GLY CA . 53381 1 24 . 1 . 1 45 45 GLY N N 15 109.60 . . . . . . . . 308 GLY N . 53381 1 25 . 1 . 1 46 46 GLY H H 1 8.25 . . . . . . . . 309 GLY H . 53381 1 26 . 1 . 1 46 46 GLY CA C 13 45.45 . . . . . . . . 309 GLY CA . 53381 1 27 . 1 . 1 46 46 GLY N N 15 108.68 . . . . . . . . 309 GLY N . 53381 1 28 . 1 . 1 47 47 GLY H H 1 8.30 . . . . . . . . 310 GLY H . 53381 1 29 . 1 . 1 47 47 GLY CA C 13 45.36 . . . . . . . . 310 GLY CA . 53381 1 30 . 1 . 1 47 47 GLY N N 15 108.87 . . . . . . . . 310 GLY N . 53381 1 31 . 1 . 1 48 48 MET H H 1 8.19 . . . . . . . . 311 MET H . 53381 1 32 . 1 . 1 48 48 MET CA C 13 55.50 . . . . . . . . 311 MET CA . 53381 1 33 . 1 . 1 48 48 MET N N 15 119.38 . . . . . . . . 311 MET N . 53381 1 34 . 1 . 1 49 49 ASN H H 1 8.33 . . . . . . . . 312 ASN H . 53381 1 35 . 1 . 1 49 49 ASN CA C 13 53.08 . . . . . . . . 312 ASN CA . 53381 1 36 . 1 . 1 49 49 ASN N N 15 119.38 . . . . . . . . 312 ASN N . 53381 1 37 . 1 . 1 50 50 PHE H H 1 8.21 . . . . . . . . 313 PHE H . 53381 1 38 . 1 . 1 50 50 PHE CA C 13 58.20 . . . . . . . . 313 PHE CA . 53381 1 39 . 1 . 1 50 50 PHE N N 15 120.86 . . . . . . . . 313 PHE N . 53381 1 40 . 1 . 1 51 51 GLY H H 1 8.29 . . . . . . . . 314 GLY H . 53381 1 41 . 1 . 1 51 51 GLY CA C 13 45.45 . . . . . . . . 314 GLY CA . 53381 1 42 . 1 . 1 51 51 GLY N N 15 109.93 . . . . . . . . 314 GLY N . 53381 1 43 . 1 . 1 52 52 ALA H H 1 8.00 . . . . . . . . 315 ALA H . 53381 1 44 . 1 . 1 52 52 ALA CA C 13 52.73 . . . . . . . . 315 ALA CA . 53381 1 45 . 1 . 1 52 52 ALA N N 15 123.58 . . . . . . . . 315 ALA N . 53381 1 46 . 1 . 1 53 53 PHE H H 1 8.04 . . . . . . . . 316 PHE H . 53381 1 47 . 1 . 1 53 53 PHE CA C 13 57.66 . . . . . . . . 316 PHE CA . 53381 1 48 . 1 . 1 53 53 PHE N N 15 118.15 . . . . . . . . 316 PHE N . 53381 1 49 . 1 . 1 54 54 SER H H 1 8.03 . . . . . . . . 317 SER H . 53381 1 50 . 1 . 1 54 54 SER CA C 13 58.21 . . . . . . . . 317 SER CA . 53381 1 51 . 1 . 1 54 54 SER N N 15 116.63 . . . . . . . . 317 SER N . 53381 1 52 . 1 . 1 55 55 ILE H H 1 7.99 . . . . . . . . 318 ILE H . 53381 1 53 . 1 . 1 55 55 ILE CA C 13 60.96 . . . . . . . . 318 ILE CA . 53381 1 54 . 1 . 1 55 55 ILE N N 15 121.35 . . . . . . . . 318 ILE N . 53381 1 55 . 1 . 1 56 56 ASN H H 1 8.26 . . . . . . . . 319 ASN H . 53381 1 56 . 1 . 1 56 56 ASN CA C 13 51.16 . . . . . . . . 319 ASN CA . 53381 1 57 . 1 . 1 56 56 ASN N N 15 123.31 . . . . . . . . 319 ASN N . 53381 1 58 . 1 . 1 57 57 PRO CA C 13 64.81 . . . . . . . . 320 PRO CA . 53381 1 59 . 1 . 1 58 58 ALA H H 1 8.14 . . . . . . . . 321 ALA H . 53381 1 60 . 1 . 1 58 58 ALA CA C 13 53.91 . . . . . . . . 321 ALA CA . 53381 1 61 . 1 . 1 58 58 ALA N N 15 121.26 . . . . . . . . 321 ALA N . 53381 1 62 . 1 . 1 59 59 MET H H 1 7.97 . . . . . . . . 322 MET H . 53381 1 63 . 1 . 1 59 59 MET CA C 13 56.43 . . . . . . . . 322 MET CA . 53381 1 64 . 1 . 1 59 59 MET N N 15 118.04 . . . . . . . . 322 MET N . 53381 1 65 . 1 . 1 60 60 MET H H 1 7.97 . . . . . . . . 323 MET H . 53381 1 66 . 1 . 1 60 60 MET CA C 13 56.93 . . . . . . . . 323 MET CA . 53381 1 67 . 1 . 1 60 60 MET N N 15 120.28 . . . . . . . . 323 MET N . 53381 1 68 . 1 . 1 61 61 ALA H H 1 8.18 . . . . . . . . 324 ALA H . 53381 1 69 . 1 . 1 61 61 ALA CA C 13 53.84 . . . . . . . . 324 ALA CA . 53381 1 70 . 1 . 1 61 61 ALA N N 15 123.42 . . . . . . . . 324 ALA N . 53381 1 71 . 1 . 1 62 62 ALA H H 1 8.06 . . . . . . . . 325 ALA H . 53381 1 72 . 1 . 1 62 62 ALA CA C 13 53.80 . . . . . . . . 325 ALA CA . 53381 1 73 . 1 . 1 62 62 ALA N N 15 122.07 . . . . . . . . 325 ALA N . 53381 1 74 . 1 . 1 63 63 ALA H H 1 8.06 . . . . . . . . 326 ALA H . 53381 1 75 . 1 . 1 63 63 ALA CA C 13 53.79 . . . . . . . . 326 ALA CA . 53381 1 76 . 1 . 1 63 63 ALA N N 15 121.94 . . . . . . . . 326 ALA N . 53381 1 77 . 1 . 1 64 64 GLN H H 1 8.07 . . . . . . . . 327 GLN H . 53381 1 78 . 1 . 1 64 64 GLN CA C 13 57.29 . . . . . . . . 327 GLN CA . 53381 1 79 . 1 . 1 64 64 GLN N N 15 118.07 . . . . . . . . 327 GLN N . 53381 1 80 . 1 . 1 65 65 ALA H H 1 8.06 . . . . . . . . 328 ALA H . 53381 1 81 . 1 . 1 65 65 ALA CA C 13 53.82 . . . . . . . . 328 ALA CA . 53381 1 82 . 1 . 1 65 65 ALA N N 15 123.12 . . . . . . . . 328 ALA N . 53381 1 83 . 1 . 1 66 66 ALA H H 1 7.92 . . . . . . . . 329 ALA H . 53381 1 84 . 1 . 1 66 66 ALA CA C 13 53.38 . . . . . . . . 329 ALA CA . 53381 1 85 . 1 . 1 66 66 ALA N N 15 121.17 . . . . . . . . 329 ALA N . 53381 1 86 . 1 . 1 67 67 LEU H H 1 7.85 . . . . . . . . 330 LEU H . 53381 1 87 . 1 . 1 67 67 LEU CA C 13 56.06 . . . . . . . . 330 LEU CA . 53381 1 88 . 1 . 1 67 67 LEU N N 15 119.81 . . . . . . . . 330 LEU N . 53381 1 89 . 1 . 1 68 68 GLN H H 1 8.05 . . . . . . . . 331 GLN H . 53381 1 90 . 1 . 1 68 68 GLN CA C 13 56.63 . . . . . . . . 331 GLN CA . 53381 1 91 . 1 . 1 68 68 GLN N N 15 119.14 . . . . . . . . 331 GLN N . 53381 1 92 . 1 . 1 69 69 SER H H 1 8.13 . . . . . . . . 332 SER H . 53381 1 93 . 1 . 1 69 69 SER CA C 13 59.00 . . . . . . . . 332 SER CA . 53381 1 94 . 1 . 1 69 69 SER N N 15 115.57 . . . . . . . . 332 SER N . 53381 1 95 . 1 . 1 70 70 SER H H 1 8.13 . . . . . . . . 333 SER H . 53381 1 96 . 1 . 1 70 70 SER N N 15 117.19 . . . . . . . . 333 SER N . 53381 1 97 . 1 . 1 71 71 TRP H H 1 8.04 . . . . . . . . 334 TRP H . 53381 1 98 . 1 . 1 71 71 TRP CA C 13 57.97 . . . . . . . . 334 TRP CA . 53381 1 99 . 1 . 1 71 71 TRP N N 15 122.42 . . . . . . . . 334 TRP N . 53381 1 100 . 1 . 1 72 72 GLY H H 1 8.19 . . . . . . . . 335 GLY H . 53381 1 101 . 1 . 1 72 72 GLY CA C 13 45.80 . . . . . . . . 335 GLY CA . 53381 1 102 . 1 . 1 72 72 GLY N N 15 109.30 . . . . . . . . 335 GLY N . 53381 1 103 . 1 . 1 73 73 MET H H 1 8.06 . . . . . . . . 336 MET H . 53381 1 104 . 1 . 1 73 73 MET CA C 13 56.05 . . . . . . . . 336 MET CA . 53381 1 105 . 1 . 1 73 73 MET N N 15 119.56 . . . . . . . . 336 MET N . 53381 1 106 . 1 . 1 74 74 MET H H 1 8.27 . . . . . . . . 337 MET H . 53381 1 107 . 1 . 1 74 74 MET CA C 13 56.22 . . . . . . . . 337 MET CA . 53381 1 108 . 1 . 1 74 74 MET N N 15 119.71 . . . . . . . . 337 MET N . 53381 1 109 . 1 . 1 75 75 GLY H H 1 8.28 . . . . . . . . 338 GLY H . 53381 1 110 . 1 . 1 75 75 GLY CA C 13 45.75 . . . . . . . . 338 GLY CA . 53381 1 111 . 1 . 1 75 75 GLY N N 15 109.06 . . . . . . . . 338 GLY N . 53381 1 112 . 1 . 1 76 76 MET H H 1 8.06 . . . . . . . . 339 MET H . 53381 1 113 . 1 . 1 76 76 MET CA C 13 56.04 . . . . . . . . 339 MET CA . 53381 1 114 . 1 . 1 76 76 MET N N 15 119.71 . . . . . . . . 339 MET N . 53381 1 115 . 1 . 1 77 77 LEU H H 1 8.16 . . . . . . . . 340 LEU H . 53381 1 116 . 1 . 1 77 77 LEU CA C 13 55.51 . . . . . . . . 340 LEU CA . 53381 1 117 . 1 . 1 77 77 LEU N N 15 122.25 . . . . . . . . 340 LEU N . 53381 1 118 . 1 . 1 78 78 ALA H H 1 8.20 . . . . . . . . 341 ALA H . 53381 1 119 . 1 . 1 78 78 ALA CA C 13 53.11 . . . . . . . . 341 ALA CA . 53381 1 120 . 1 . 1 78 78 ALA N N 15 124.04 . . . . . . . . 341 ALA N . 53381 1 121 . 1 . 1 79 79 SER H H 1 8.09 . . . . . . . . 342 SER H . 53381 1 122 . 1 . 1 79 79 SER CA C 13 58.86 . . . . . . . . 342 SER CA . 53381 1 123 . 1 . 1 79 79 SER N N 15 113.76 . . . . . . . . 342 SER N . 53381 1 124 . 1 . 1 80 80 GLN H H 1 8.20 . . . . . . . . 343 GLN H . 53381 1 125 . 1 . 1 80 80 GLN CA C 13 56.23 . . . . . . . . 343 GLN CA . 53381 1 126 . 1 . 1 80 80 GLN N N 15 121.39 . . . . . . . . 343 GLN N . 53381 1 127 . 1 . 1 81 81 GLN H H 1 8.24 . . . . . . . . 344 GLN H . 53381 1 128 . 1 . 1 81 81 GLN CA C 13 56.22 . . . . . . . . 344 GLN CA . 53381 1 129 . 1 . 1 81 81 GLN N N 15 120.28 . . . . . . . . 344 GLN N . 53381 1 130 . 1 . 1 82 82 ASN H H 1 8.41 . . . . . . . . 345 ASN H . 53381 1 131 . 1 . 1 82 82 ASN CA C 13 53.47 . . . . . . . . 345 ASN CA . 53381 1 132 . 1 . 1 82 82 ASN N N 15 119.27 . . . . . . . . 345 ASN N . 53381 1 133 . 1 . 1 83 83 GLN H H 1 8.36 . . . . . . . . 346 GLN H . 53381 1 134 . 1 . 1 83 83 GLN CA C 13 56.23 . . . . . . . . 346 GLN CA . 53381 1 135 . 1 . 1 83 83 GLN N N 15 120.68 . . . . . . . . 346 GLN N . 53381 1 136 . 1 . 1 84 84 SER H H 1 8.35 . . . . . . . . 347 SER H . 53381 1 137 . 1 . 1 84 84 SER CA C 13 58.52 . . . . . . . . 347 SER CA . 53381 1 138 . 1 . 1 84 84 SER N N 15 116.69 . . . . . . . . 347 SER N . 53381 1 139 . 1 . 1 85 85 GLY H H 1 8.20 . . . . . . . . 348 GLY H . 53381 1 140 . 1 . 1 85 85 GLY CA C 13 44.72 . . . . . . . . 348 GLY CA . 53381 1 141 . 1 . 1 85 85 GLY N N 15 110.50 . . . . . . . . 348 GLY N . 53381 1 142 . 1 . 1 87 87 SER H H 1 8.46 . . . . . . . . 350 SER H . 53381 1 143 . 1 . 1 87 87 SER CA C 13 58.59 . . . . . . . . 350 SER CA . 53381 1 144 . 1 . 1 87 87 SER N N 15 115.89 . . . . . . . . 350 SER N . 53381 1 145 . 1 . 1 88 88 GLY H H 1 8.33 . . . . . . . . 351 GLY H . 53381 1 146 . 1 . 1 88 88 GLY CA C 13 45.44 . . . . . . . . 351 GLY CA . 53381 1 147 . 1 . 1 88 88 GLY N N 15 110.40 . . . . . . . . 351 GLY N . 53381 1 148 . 1 . 1 89 89 ASN H H 1 8.29 . . . . . . . . 352 ASN H . 53381 1 149 . 1 . 1 89 89 ASN CA C 13 53.33 . . . . . . . . 352 ASN CA . 53381 1 150 . 1 . 1 89 89 ASN N N 15 118.52 . . . . . . . . 352 ASN N . 53381 1 151 . 1 . 1 90 90 ASN H H 1 8.44 . . . . . . . . 353 ASN H . 53381 1 152 . 1 . 1 90 90 ASN CA C 13 53.48 . . . . . . . . 353 ASN CA . 53381 1 153 . 1 . 1 90 90 ASN N N 15 119.08 . . . . . . . . 353 ASN N . 53381 1 154 . 1 . 1 91 91 GLN H H 1 8.38 . . . . . . . . 354 GLN H . 53381 1 155 . 1 . 1 91 91 GLN CA C 13 56.37 . . . . . . . . 354 GLN CA . 53381 1 156 . 1 . 1 91 91 GLN N N 15 120.03 . . . . . . . . 354 GLN N . 53381 1 157 . 1 . 1 92 92 ASN H H 1 8.44 . . . . . . . . 355 ASN H . 53381 1 158 . 1 . 1 92 92 ASN CA C 13 53.48 . . . . . . . . 355 ASN CA . 53381 1 159 . 1 . 1 92 92 ASN N N 15 119.07 . . . . . . . . 355 ASN N . 53381 1 160 . 1 . 1 93 93 GLN H H 1 8.37 . . . . . . . . 356 GLN H . 53381 1 161 . 1 . 1 93 93 GLN CA C 13 56.39 . . . . . . . . 356 GLN CA . 53381 1 162 . 1 . 1 93 93 GLN N N 15 120.06 . . . . . . . . 356 GLN N . 53381 1 163 . 1 . 1 94 94 GLY H H 1 8.42 . . . . . . . . 357 GLY H . 53381 1 164 . 1 . 1 94 94 GLY CA C 13 45.49 . . . . . . . . 357 GLY CA . 53381 1 165 . 1 . 1 94 94 GLY N N 15 109.29 . . . . . . . . 357 GLY N . 53381 1 166 . 1 . 1 95 95 ASN H H 1 8.30 . . . . . . . . 358 ASN H . 53381 1 167 . 1 . 1 95 95 ASN CA C 13 53.30 . . . . . . . . 358 ASN CA . 53381 1 168 . 1 . 1 95 95 ASN N N 15 118.51 . . . . . . . . 358 ASN N . 53381 1 169 . 1 . 1 96 96 MET H H 1 8.30 . . . . . . . . 359 MET H . 53381 1 170 . 1 . 1 96 96 MET CA C 13 55.72 . . . . . . . . 359 MET CA . 53381 1 171 . 1 . 1 96 96 MET N N 15 120.41 . . . . . . . . 359 MET N . 53381 1 172 . 1 . 1 97 97 GLN H H 1 8.34 . . . . . . . . 360 GLN H . 53381 1 173 . 1 . 1 97 97 GLN CA C 13 55.91 . . . . . . . . 360 GLN CA . 53381 1 174 . 1 . 1 97 97 GLN N N 15 121.25 . . . . . . . . 360 GLN N . 53381 1 stop_ save_