data_26823 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26823 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments, HNHA scalar coupling, and 15N backbone relaxation data for TDP-43 C-terminal domain wild type ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-20 _Entry.Accession_date 2016-06-20 _Entry.Last_release_date 2016-08-19 _Entry.Original_release_date 2016-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Alexander Conicella . E. . . 26823 2 Nicolas Fawzi . L. . . 26823 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26823 coupling_constants 1 26823 heteronucl_NOEs 2 26823 heteronucl_T1_relaxation 2 26823 heteronucl_T2_relaxation 2 26823 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 660 26823 '15N chemical shifts' 286 26823 '1H chemical shifts' 292 26823 'T1 relaxation values' 222 26823 'T2 relaxation values' 259 26823 'coupling constants' 101 26823 'heteronuclear NOE values' 196 26823 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 2 . . 2016-10-25 2016-06-20 update BMRB 'update entry citation' 26823 1 . . 2016-08-19 2016-06-20 original author 'original release' 26823 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26826 'A321G mutant' 26823 BMRB 26827 'A321V mutant' 26823 BMRB 26828 'A326P mutant' 26823 BMRB 26829 'Q331K mutant' 26823 BMRB 26830 'M337V mutant' 26823 BMRB 26831 'M337P mutant' 26823 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26823 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27545621 _Citation.Full_citation . _Citation.Title ; ALS Mutations Disrupt Phase Separation Mediated by alpha-Helical Structure in the TDP-43 Low-Complexity C-Terminal Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Cambridge, MA, U.S.)' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 9 _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 1537 _Citation.Page_last 1549 _Citation.Year 2016 _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 Alexander Conicella . E. . . 26823 1 2 Gul Zerze . H. . . 26823 1 3 Jeetain Mittal . . . . 26823 1 4 Nicolas Fawzi . L. . . 26823 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ALS 26823 1 IDP 26823 1 NMR 26823 1 TDP-43 26823 1 'phase separation' 26823 1 'ribonucleoprotein granule' 26823 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26823 _Assembly.ID 1 _Assembly.Name 'WT TDP-43_267-414 Monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'WT TDP-43_267-414 Monomer' 1 $WT_TDP-43_267-414 A . yes 'intrinsically disordered' no no . . . 26823 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WT_TDP-43_267-414 _Entity.Sf_category entity _Entity.Sf_framecode WT_TDP-43_267-414 _Entity.Entry_ID 26823 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WT_TDP-43_267-414 _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 ; Residues 1-3 comprise the cloning artifact left after removal of the N-terminal affinity tag by cleavage with TEV protease. ; _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 . _Entity.Fragment 'TDP-43 C-terminal domain, glycine-rich domain, prion-like domain' _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 -3 GLY . 26823 1 2 -2 HIS . 26823 1 3 -1 MET . 26823 1 4 267 ASN . 26823 1 5 268 ARG . 26823 1 6 269 GLN . 26823 1 7 270 LEU . 26823 1 8 271 GLU . 26823 1 9 272 ARG . 26823 1 10 273 SER . 26823 1 11 274 GLY . 26823 1 12 275 ARG . 26823 1 13 276 PHE . 26823 1 14 277 GLY . 26823 1 15 278 GLY . 26823 1 16 279 ASN . 26823 1 17 280 PRO . 26823 1 18 281 GLY . 26823 1 19 282 GLY . 26823 1 20 283 PHE . 26823 1 21 284 GLY . 26823 1 22 285 ASN . 26823 1 23 286 GLN . 26823 1 24 287 GLY . 26823 1 25 288 GLY . 26823 1 26 289 PHE . 26823 1 27 290 GLY . 26823 1 28 291 ASN . 26823 1 29 292 SER . 26823 1 30 293 ARG . 26823 1 31 294 GLY . 26823 1 32 295 GLY . 26823 1 33 296 GLY . 26823 1 34 297 ALA . 26823 1 35 298 GLY . 26823 1 36 299 LEU . 26823 1 37 300 GLY . 26823 1 38 301 ASN . 26823 1 39 302 ASN . 26823 1 40 303 GLN . 26823 1 41 304 GLY . 26823 1 42 305 SER . 26823 1 43 306 ASN . 26823 1 44 307 MET . 26823 1 45 308 GLY . 26823 1 46 309 GLY . 26823 1 47 310 GLY . 26823 1 48 311 MET . 26823 1 49 312 ASN . 26823 1 50 313 PHE . 26823 1 51 314 GLY . 26823 1 52 315 ALA . 26823 1 53 316 PHE . 26823 1 54 317 SER . 26823 1 55 318 ILE . 26823 1 56 319 ASN . 26823 1 57 320 PRO . 26823 1 58 321 ALA . 26823 1 59 322 MET . 26823 1 60 323 MET . 26823 1 61 324 ALA . 26823 1 62 325 ALA . 26823 1 63 326 ALA . 26823 1 64 327 GLN . 26823 1 65 328 ALA . 26823 1 66 329 ALA . 26823 1 67 330 LEU . 26823 1 68 331 GLN . 26823 1 69 332 SER . 26823 1 70 333 SER . 26823 1 71 334 TRP . 26823 1 72 335 GLY . 26823 1 73 336 MET . 26823 1 74 337 MET . 26823 1 75 338 GLY . 26823 1 76 339 MET . 26823 1 77 340 LEU . 26823 1 78 341 ALA . 26823 1 79 342 SER . 26823 1 80 343 GLN . 26823 1 81 344 GLN . 26823 1 82 345 ASN . 26823 1 83 346 GLN . 26823 1 84 347 SER . 26823 1 85 348 GLY . 26823 1 86 349 PRO . 26823 1 87 350 SER . 26823 1 88 351 GLY . 26823 1 89 352 ASN . 26823 1 90 353 ASN . 26823 1 91 354 GLN . 26823 1 92 355 ASN . 26823 1 93 356 GLN . 26823 1 94 357 GLY . 26823 1 95 358 ASN . 26823 1 96 359 MET . 26823 1 97 360 GLN . 26823 1 98 361 ARG . 26823 1 99 362 GLU . 26823 1 100 363 PRO . 26823 1 101 364 ASN . 26823 1 102 365 GLN . 26823 1 103 366 ALA . 26823 1 104 367 PHE . 26823 1 105 368 GLY . 26823 1 106 369 SER . 26823 1 107 370 GLY . 26823 1 108 371 ASN . 26823 1 109 372 ASN . 26823 1 110 373 SER . 26823 1 111 374 TYR . 26823 1 112 375 SER . 26823 1 113 376 GLY . 26823 1 114 377 SER . 26823 1 115 378 ASN . 26823 1 116 379 SER . 26823 1 117 380 GLY . 26823 1 118 381 ALA . 26823 1 119 382 ALA . 26823 1 120 383 ILE . 26823 1 121 384 GLY . 26823 1 122 385 TRP . 26823 1 123 386 GLY . 26823 1 124 387 SER . 26823 1 125 388 ALA . 26823 1 126 389 SER . 26823 1 127 390 ASN . 26823 1 128 391 ALA . 26823 1 129 392 GLY . 26823 1 130 393 SER . 26823 1 131 394 GLY . 26823 1 132 395 SER . 26823 1 133 396 GLY . 26823 1 134 397 PHE . 26823 1 135 398 ASN . 26823 1 136 399 GLY . 26823 1 137 400 GLY . 26823 1 138 401 PHE . 26823 1 139 402 GLY . 26823 1 140 403 SER . 26823 1 141 404 SER . 26823 1 142 405 MET . 26823 1 143 406 ASP . 26823 1 144 407 SER . 26823 1 145 408 LYS . 26823 1 146 409 SER . 26823 1 147 410 SER . 26823 1 148 411 GLY . 26823 1 149 412 TRP . 26823 1 150 413 GLY . 26823 1 151 414 MET . 26823 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 26823 1 . HIS 2 2 26823 1 . MET 3 3 26823 1 . ASN 4 4 26823 1 . ARG 5 5 26823 1 . GLN 6 6 26823 1 . LEU 7 7 26823 1 . GLU 8 8 26823 1 . ARG 9 9 26823 1 . SER 10 10 26823 1 . GLY 11 11 26823 1 . ARG 12 12 26823 1 . PHE 13 13 26823 1 . GLY 14 14 26823 1 . GLY 15 15 26823 1 . ASN 16 16 26823 1 . PRO 17 17 26823 1 . GLY 18 18 26823 1 . GLY 19 19 26823 1 . PHE 20 20 26823 1 . GLY 21 21 26823 1 . ASN 22 22 26823 1 . GLN 23 23 26823 1 . GLY 24 24 26823 1 . GLY 25 25 26823 1 . PHE 26 26 26823 1 . GLY 27 27 26823 1 . ASN 28 28 26823 1 . SER 29 29 26823 1 . ARG 30 30 26823 1 . GLY 31 31 26823 1 . GLY 32 32 26823 1 . GLY 33 33 26823 1 . ALA 34 34 26823 1 . GLY 35 35 26823 1 . LEU 36 36 26823 1 . GLY 37 37 26823 1 . ASN 38 38 26823 1 . ASN 39 39 26823 1 . GLN 40 40 26823 1 . GLY 41 41 26823 1 . SER 42 42 26823 1 . ASN 43 43 26823 1 . MET 44 44 26823 1 . GLY 45 45 26823 1 . GLY 46 46 26823 1 . GLY 47 47 26823 1 . MET 48 48 26823 1 . ASN 49 49 26823 1 . PHE 50 50 26823 1 . GLY 51 51 26823 1 . ALA 52 52 26823 1 . PHE 53 53 26823 1 . SER 54 54 26823 1 . ILE 55 55 26823 1 . ASN 56 56 26823 1 . PRO 57 57 26823 1 . ALA 58 58 26823 1 . MET 59 59 26823 1 . MET 60 60 26823 1 . ALA 61 61 26823 1 . ALA 62 62 26823 1 . ALA 63 63 26823 1 . GLN 64 64 26823 1 . ALA 65 65 26823 1 . ALA 66 66 26823 1 . LEU 67 67 26823 1 . GLN 68 68 26823 1 . SER 69 69 26823 1 . SER 70 70 26823 1 . TRP 71 71 26823 1 . GLY 72 72 26823 1 . MET 73 73 26823 1 . MET 74 74 26823 1 . GLY 75 75 26823 1 . MET 76 76 26823 1 . LEU 77 77 26823 1 . ALA 78 78 26823 1 . SER 79 79 26823 1 . GLN 80 80 26823 1 . GLN 81 81 26823 1 . ASN 82 82 26823 1 . GLN 83 83 26823 1 . SER 84 84 26823 1 . GLY 85 85 26823 1 . PRO 86 86 26823 1 . SER 87 87 26823 1 . GLY 88 88 26823 1 . ASN 89 89 26823 1 . ASN 90 90 26823 1 . GLN 91 91 26823 1 . ASN 92 92 26823 1 . GLN 93 93 26823 1 . GLY 94 94 26823 1 . ASN 95 95 26823 1 . MET 96 96 26823 1 . GLN 97 97 26823 1 . ARG 98 98 26823 1 . GLU 99 99 26823 1 . PRO 100 100 26823 1 . ASN 101 101 26823 1 . GLN 102 102 26823 1 . ALA 103 103 26823 1 . PHE 104 104 26823 1 . GLY 105 105 26823 1 . SER 106 106 26823 1 . GLY 107 107 26823 1 . ASN 108 108 26823 1 . ASN 109 109 26823 1 . SER 110 110 26823 1 . TYR 111 111 26823 1 . SER 112 112 26823 1 . GLY 113 113 26823 1 . SER 114 114 26823 1 . ASN 115 115 26823 1 . SER 116 116 26823 1 . GLY 117 117 26823 1 . ALA 118 118 26823 1 . ALA 119 119 26823 1 . ILE 120 120 26823 1 . GLY 121 121 26823 1 . TRP 122 122 26823 1 . GLY 123 123 26823 1 . SER 124 124 26823 1 . ALA 125 125 26823 1 . SER 126 126 26823 1 . ASN 127 127 26823 1 . ALA 128 128 26823 1 . GLY 129 129 26823 1 . SER 130 130 26823 1 . GLY 131 131 26823 1 . SER 132 132 26823 1 . GLY 133 133 26823 1 . PHE 134 134 26823 1 . ASN 135 135 26823 1 . GLY 136 136 26823 1 . GLY 137 137 26823 1 . PHE 138 138 26823 1 . GLY 139 139 26823 1 . SER 140 140 26823 1 . SER 141 141 26823 1 . MET 142 142 26823 1 . ASP 143 143 26823 1 . SER 144 144 26823 1 . LYS 145 145 26823 1 . SER 146 146 26823 1 . SER 147 147 26823 1 . GLY 148 148 26823 1 . TRP 149 149 26823 1 . GLY 150 150 26823 1 . MET 151 151 26823 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 26823 _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 $WT_TDP-43_267-414 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26823 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 26823 _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 $WT_TDP-43_267-414 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pJ411 . . . 26823 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample-1 _Sample.Sf_category sample _Sample.Sf_framecode sample-1 _Sample.Entry_ID 26823 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'WT TDP-43_267-414' '[U-99% 13C; U-99% 15N]' . . 1 $WT_TDP-43_267-414 . . 20 . . uM . . . . 26823 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 26823 1 stop_ save_ save_sample-2 _Sample.Sf_category sample _Sample.Sf_framecode sample-2 _Sample.Entry_ID 26823 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'WT TDP-43_267-414' '[U-99% 15N]' . . 1 $WT_TDP-43_267-414 . . 20 . . uM . . . . 26823 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 26823 2 stop_ save_ ####################### # Sample conditions # ####################### save_283_K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 283_K _Sample_condition_list.Entry_ID 26823 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 . pH 26823 1 pressure 1 . atm 26823 1 temperature 283 . K 26823 1 stop_ save_ save_298_K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 298_K _Sample_condition_list.Entry_ID 26823 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 . pH 26823 2 pressure 1 . atm 26823 2 temperature 298 . K 26823 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26823 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26823 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26823 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26823 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26823 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26823 2 'peak picking' 26823 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26823 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26823 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26823 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_III_850_MHz_1H _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_III_850_MHz_1H _NMR_spectrometer.Entry_ID 26823 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_Bruker_Avance_II_500_MHz_1H _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_II_500_MHz_1H _NMR_spectrometer.Entry_ID 26823 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 26823 _NMR_spectrometer_list.ID 1 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 Bruker_Avance_III_850_MHz_1H Bruker Avance . 850 'TCI cryoprobe' . . 26823 1 2 Bruker_Avance_II_500_MHz_1H Bruker Avance . 500 'TCI cryoprobe' . . 26823 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 26823 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample-1 isotropic . . 2 $298_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample-1 isotropic . . 2 $298_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample-1 isotropic . . 2 $298_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample-1 isotropic . . 2 $298_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample-1 isotropic . . 2 $298_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample-1 isotropic . . 1 $283_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample-1 isotropic . . 1 $283_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample-1 isotropic . . 1 $283_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 9 hnhagp3d no . . . . . . . . . . 2 $sample-2 isotropic . . 1 $283_K . . . 2 $Bruker_Avance_II_500_MHz_1H . . . . . . . . . . . . . . . . 26823 1 10 hsqct1etf3gpsitc3d.nlf no . . . . . . . . . . 2 $sample-2 isotropic . . 1 $283_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 11 hsqct2etf3gpsitc3d.ac no . . . . . . . . . . 2 $sample-2 isotropic . . 1 $283_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 12 hsqcnoef3gpsi no . . . . . . . . . . 2 $sample-2 isotropic . . 1 $283_K . . . 1 $Bruker_Avance_III_850_MHz_1H . . . . . . . . . . . . . . . . 26823 1 13 hsqct1etf3gpsitc3d.nlf no . . . . . . . . . . 2 $sample-2 isotropic . . 1 $283_K . . . 2 $Bruker_Avance_II_500_MHz_1H . . . . . . . . . . . . . . . . 26823 1 14 hsqct2etf3gpsitc3d.ac no . . . . . . . . . . 2 $sample-2 isotropic . . 1 $283_K . . . 2 $Bruker_Avance_II_500_MHz_1H . . . . . . . . . . . . . . . . 26823 1 15 hsqcnoef3gpsi no . . . . . . . . . . 2 $sample-2 isotropic . . 1 $283_K . . . 2 $Bruker_Avance_II_500_MHz_1H . . . . . . . . . . . . . . . . 26823 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26823 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26823 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26823 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26823 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_WT_TDP-43_267-414_298_K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode WT_TDP-43_267-414_298_K _Assigned_chem_shift_list.Entry_ID 26823 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $298_K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 26823 1 2 '3D HNCACB' . . . 26823 1 3 '3D CBCA(CO)NH' . . . 26823 1 4 '3D HNCO' . . . 26823 1 5 '3D HN(CA)CO' . . . 26823 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5 5 ARG C C 13 176.287 0.000 . . . . . . 268 R C . 26823 1 2 . 1 1 5 5 ARG CA C 13 56.405 0.000 . . . . . . 268 R CA . 26823 1 3 . 1 1 5 5 ARG CB C 13 30.595 0.007 . . . . . . 268 R CB . 26823 1 4 . 1 1 6 6 GLN H H 1 8.405 0.001 . . . . . . 269 Q H . 26823 1 5 . 1 1 6 6 GLN C C 13 176.129 0.007 . . . . . . 269 Q C . 26823 1 6 . 1 1 6 6 GLN CA C 13 56.249 0.061 . . . . . . 269 Q CA . 26823 1 7 . 1 1 6 6 GLN CB C 13 29.174 0.021 . . . . . . 269 Q CB . 26823 1 8 . 1 1 6 6 GLN N N 15 121.088 0.015 . . . . . . 269 Q N . 26823 1 9 . 1 1 7 7 LEU H H 1 8.200 0.001 . . . . . . 270 L H . 26823 1 10 . 1 1 7 7 LEU C C 13 177.476 0.003 . . . . . . 270 L C . 26823 1 11 . 1 1 7 7 LEU CA C 13 55.359 0.061 . . . . . . 270 L CA . 26823 1 12 . 1 1 7 7 LEU CB C 13 42.319 0.014 . . . . . . 270 L CB . 26823 1 13 . 1 1 7 7 LEU N N 15 122.907 0.010 . . . . . . 270 L N . 26823 1 14 . 1 1 8 8 GLU H H 1 8.326 0.001 . . . . . . 271 E H . 26823 1 15 . 1 1 8 8 GLU C C 13 176.667 0.004 . . . . . . 271 E C . 26823 1 16 . 1 1 8 8 GLU CA C 13 56.767 0.065 . . . . . . 271 E CA . 26823 1 17 . 1 1 8 8 GLU CB C 13 30.230 0.021 . . . . . . 271 E CB . 26823 1 18 . 1 1 8 8 GLU N N 15 121.834 0.007 . . . . . . 271 E N . 26823 1 19 . 1 1 9 9 ARG H H 1 8.367 0.002 . . . . . . 272 R H . 26823 1 20 . 1 1 9 9 ARG C C 13 176.338 0.006 . . . . . . 272 R C . 26823 1 21 . 1 1 9 9 ARG CA C 13 56.369 0.082 . . . . . . 272 R CA . 26823 1 22 . 1 1 9 9 ARG CB C 13 30.594 0.044 . . . . . . 272 R CB . 26823 1 23 . 1 1 9 9 ARG N N 15 121.842 0.009 . . . . . . 272 R N . 26823 1 24 . 1 1 10 10 SER H H 1 8.278 0.003 . . . . . . 273 S H . 26823 1 25 . 1 1 10 10 SER C C 13 175.024 0.020 . . . . . . 273 S C . 26823 1 26 . 1 1 10 10 SER CA C 13 58.611 0.068 . . . . . . 273 S CA . 26823 1 27 . 1 1 10 10 SER CB C 13 63.953 0.016 . . . . . . 273 S CB . 26823 1 28 . 1 1 10 10 SER N N 15 116.310 0.025 . . . . . . 273 S N . 26823 1 29 . 1 1 11 11 GLY H H 1 8.379 0.001 . . . . . . 274 G H . 26823 1 30 . 1 1 11 11 GLY C C 13 174.112 0.015 . . . . . . 274 G C . 26823 1 31 . 1 1 11 11 GLY CA C 13 45.344 0.080 . . . . . . 274 G CA . 26823 1 32 . 1 1 11 11 GLY N N 15 110.444 0.009 . . . . . . 274 G N . 26823 1 33 . 1 1 12 12 ARG H H 1 8.067 0.002 . . . . . . 275 R H . 26823 1 34 . 1 1 12 12 ARG C C 13 176.105 0.001 . . . . . . 275 R C . 26823 1 35 . 1 1 12 12 ARG CA C 13 56.354 0.040 . . . . . . 275 R CA . 26823 1 36 . 1 1 12 12 ARG CB C 13 30.688 0.036 . . . . . . 275 R CB . 26823 1 37 . 1 1 12 12 ARG N N 15 120.341 0.014 . . . . . . 275 R N . 26823 1 38 . 1 1 13 13 PHE H H 1 8.315 0.002 . . . . . . 276 F H . 26823 1 39 . 1 1 13 13 PHE C C 13 176.219 0.011 . . . . . . 276 F C . 26823 1 40 . 1 1 13 13 PHE CA C 13 57.599 0.034 . . . . . . 276 F CA . 26823 1 41 . 1 1 13 13 PHE CB C 13 39.471 0.023 . . . . . . 276 F CB . 26823 1 42 . 1 1 13 13 PHE N N 15 120.864 0.020 . . . . . . 276 F N . 26823 1 43 . 1 1 14 14 GLY H H 1 8.269 0.002 . . . . . . 277 G H . 26823 1 44 . 1 1 14 14 GLY C C 13 174.355 0.022 . . . . . . 277 G C . 26823 1 45 . 1 1 14 14 GLY CA C 13 45.389 0.044 . . . . . . 277 G CA . 26823 1 46 . 1 1 14 14 GLY N N 15 110.717 0.028 . . . . . . 277 G N . 26823 1 47 . 1 1 15 15 GLY H H 1 7.894 0.001 . . . . . . 278 G H . 26823 1 48 . 1 1 15 15 GLY C C 13 173.369 0.000 . . . . . . 278 G C . 26823 1 49 . 1 1 15 15 GLY CA C 13 44.967 0.058 . . . . . . 278 G CA . 26823 1 50 . 1 1 15 15 GLY N N 15 107.819 0.018 . . . . . . 278 G N . 26823 1 51 . 1 1 16 16 ASN H H 1 8.336 0.001 . . . . . . 279 N H . 26823 1 52 . 1 1 16 16 ASN C C 13 173.539 0.000 . . . . . . 279 N C . 26823 1 53 . 1 1 16 16 ASN CA C 13 51.318 0.000 . . . . . . 279 N CA . 26823 1 54 . 1 1 16 16 ASN CB C 13 38.871 0.000 . . . . . . 279 N CB . 26823 1 55 . 1 1 16 16 ASN N N 15 119.017 0.007 . . . . . . 279 N N . 26823 1 56 . 1 1 17 17 PRO C C 13 177.435 0.001 . . . . . . 280 P C . 26823 1 57 . 1 1 17 17 PRO CA C 13 63.883 0.052 . . . . . . 280 P CA . 26823 1 58 . 1 1 17 17 PRO CB C 13 31.909 0.013 . . . . . . 280 P CB . 26823 1 59 . 1 1 18 18 GLY H H 1 8.385 0.001 . . . . . . 281 G H . 26823 1 60 . 1 1 18 18 GLY C C 13 174.494 0.015 . . . . . . 281 G C . 26823 1 61 . 1 1 18 18 GLY CA C 13 45.356 0.069 . . . . . . 281 G CA . 26823 1 62 . 1 1 18 18 GLY N N 15 108.617 0.013 . . . . . . 281 G N . 26823 1 63 . 1 1 19 19 GLY H H 1 8.036 0.004 . . . . . . 282 G H . 26823 1 64 . 1 1 19 19 GLY C C 13 173.966 0.025 . . . . . . 282 G C . 26823 1 65 . 1 1 19 19 GLY CA C 13 45.160 0.013 . . . . . . 282 G CA . 26823 1 66 . 1 1 19 19 GLY N N 15 108.134 0.019 . . . . . . 282 G N . 26823 1 67 . 1 1 20 20 PHE H H 1 8.138 0.002 . . . . . . 283 F H . 26823 1 68 . 1 1 20 20 PHE C C 13 176.465 0.006 . . . . . . 283 F C . 26823 1 69 . 1 1 20 20 PHE CA C 13 57.974 0.047 . . . . . . 283 F CA . 26823 1 70 . 1 1 20 20 PHE CB C 13 39.549 0.018 . . . . . . 283 F CB . 26823 1 71 . 1 1 20 20 PHE N N 15 119.700 0.018 . . . . . . 283 F N . 26823 1 72 . 1 1 21 21 GLY H H 1 8.393 0.002 . . . . . . 284 G H . 26823 1 73 . 1 1 21 21 GLY C C 13 173.949 0.009 . . . . . . 284 G C . 26823 1 74 . 1 1 21 21 GLY CA C 13 45.442 0.007 . . . . . . 284 G CA . 26823 1 75 . 1 1 21 21 GLY N N 15 110.247 0.010 . . . . . . 284 G N . 26823 1 76 . 1 1 22 22 ASN H H 1 8.270 0.003 . . . . . . 285 N H . 26823 1 77 . 1 1 22 22 ASN C C 13 175.518 0.012 . . . . . . 285 N C . 26823 1 78 . 1 1 22 22 ASN CA C 13 53.302 0.043 . . . . . . 285 N CA . 26823 1 79 . 1 1 22 22 ASN CB C 13 38.812 0.025 . . . . . . 285 N CB . 26823 1 80 . 1 1 22 22 ASN N N 15 118.629 0.082 . . . . . . 285 N N . 26823 1 81 . 1 1 23 23 GLN H H 1 8.452 0.002 . . . . . . 286 Q H . 26823 1 82 . 1 1 23 23 GLN C C 13 176.461 0.002 . . . . . . 286 Q C . 26823 1 83 . 1 1 23 23 GLN CA C 13 56.213 0.031 . . . . . . 286 Q CA . 26823 1 84 . 1 1 23 23 GLN CB C 13 29.205 0.046 . . . . . . 286 Q CB . 26823 1 85 . 1 1 23 23 GLN N N 15 120.460 0.016 . . . . . . 286 Q N . 26823 1 86 . 1 1 24 24 GLY H H 1 8.379 0.003 . . . . . . 287 G H . 26823 1 87 . 1 1 24 24 GLY C C 13 174.390 0.028 . . . . . . 287 G C . 26823 1 88 . 1 1 24 24 GLY CA C 13 45.459 0.033 . . . . . . 287 G CA . 26823 1 89 . 1 1 24 24 GLY N N 15 109.388 0.035 . . . . . . 287 G N . 26823 1 90 . 1 1 25 25 GLY H H 1 8.031 0.002 . . . . . . 288 G H . 26823 1 91 . 1 1 25 25 GLY C C 13 173.964 0.030 . . . . . . 288 G C . 26823 1 92 . 1 1 25 25 GLY CA C 13 45.155 0.019 . . . . . . 288 G CA . 26823 1 93 . 1 1 25 25 GLY N N 15 108.103 0.021 . . . . . . 288 G N . 26823 1 94 . 1 1 26 26 PHE H H 1 8.141 0.003 . . . . . . 289 F H . 26823 1 95 . 1 1 26 26 PHE C C 13 176.477 0.010 . . . . . . 289 F C . 26823 1 96 . 1 1 26 26 PHE CA C 13 57.970 0.044 . . . . . . 289 F CA . 26823 1 97 . 1 1 26 26 PHE CB C 13 39.549 0.018 . . . . . . 289 F CB . 26823 1 98 . 1 1 26 26 PHE N N 15 119.685 0.025 . . . . . . 289 F N . 26823 1 99 . 1 1 27 27 GLY H H 1 8.395 0.002 . . . . . . 290 G H . 26823 1 100 . 1 1 27 27 GLY C C 13 173.952 0.007 . . . . . . 290 G C . 26823 1 101 . 1 1 27 27 GLY CA C 13 45.442 0.007 . . . . . . 290 G CA . 26823 1 102 . 1 1 27 27 GLY N N 15 110.247 0.008 . . . . . . 290 G N . 26823 1 103 . 1 1 28 28 ASN H H 1 8.273 0.001 . . . . . . 291 N H . 26823 1 104 . 1 1 28 28 ASN C C 13 175.510 0.009 . . . . . . 291 N C . 26823 1 105 . 1 1 28 28 ASN CA C 13 53.236 0.061 . . . . . . 291 N CA . 26823 1 106 . 1 1 28 28 ASN CB C 13 38.916 0.071 . . . . . . 291 N CB . 26823 1 107 . 1 1 28 28 ASN N N 15 118.573 0.028 . . . . . . 291 N N . 26823 1 108 . 1 1 29 29 SER H H 1 8.310 0.001 . . . . . . 292 S H . 26823 1 109 . 1 1 29 29 SER C C 13 174.708 0.008 . . . . . . 292 S C . 26823 1 110 . 1 1 29 29 SER CA C 13 58.706 0.003 . . . . . . 292 S CA . 26823 1 111 . 1 1 29 29 SER CB C 13 63.782 0.031 . . . . . . 292 S CB . 26823 1 112 . 1 1 29 29 SER N N 15 116.153 0.012 . . . . . . 292 S N . 26823 1 113 . 1 1 30 30 ARG H H 1 8.369 0.001 . . . . . . 293 R H . 26823 1 114 . 1 1 30 30 ARG C C 13 176.806 0.010 . . . . . . 293 R C . 26823 1 115 . 1 1 30 30 ARG CA C 13 56.312 0.038 . . . . . . 293 R CA . 26823 1 116 . 1 1 30 30 ARG CB C 13 30.564 0.029 . . . . . . 293 R CB . 26823 1 117 . 1 1 30 30 ARG N N 15 122.429 0.010 . . . . . . 293 R N . 26823 1 118 . 1 1 31 31 GLY H H 1 8.322 0.001 . . . . . . 294 G H . 26823 1 119 . 1 1 31 31 GLY C C 13 174.620 0.004 . . . . . . 294 G C . 26823 1 120 . 1 1 31 31 GLY CA C 13 45.339 0.002 . . . . . . 294 G CA . 26823 1 121 . 1 1 31 31 GLY N N 15 109.460 0.014 . . . . . . 294 G N . 26823 1 122 . 1 1 32 32 GLY H H 1 8.260 0.006 . . . . . . 295 G H . 26823 1 123 . 1 1 32 32 GLY C C 13 174.702 0.004 . . . . . . 295 G C . 26823 1 124 . 1 1 32 32 GLY CA C 13 45.369 0.029 . . . . . . 295 G CA . 26823 1 125 . 1 1 32 32 GLY N N 15 108.594 0.046 . . . . . . 295 G N . 26823 1 126 . 1 1 33 33 GLY H H 1 8.273 0.001 . . . . . . 296 G H . 26823 1 127 . 1 1 33 33 GLY C C 13 174.033 0.064 . . . . . . 296 G C . 26823 1 128 . 1 1 33 33 GLY CA C 13 45.262 0.055 . . . . . . 296 G CA . 26823 1 129 . 1 1 33 33 GLY N N 15 108.510 0.009 . . . . . . 296 G N . 26823 1 130 . 1 1 34 34 ALA H H 1 8.232 0.001 . . . . . . 297 A H . 26823 1 131 . 1 1 34 34 ALA C C 13 178.230 0.000 . . . . . . 297 A C . 26823 1 132 . 1 1 34 34 ALA CA C 13 52.614 0.031 . . . . . . 297 A CA . 26823 1 133 . 1 1 34 34 ALA CB C 13 19.270 0.014 . . . . . . 297 A CB . 26823 1 134 . 1 1 34 34 ALA N N 15 123.624 0.003 . . . . . . 297 A N . 26823 1 135 . 1 1 35 35 GLY H H 1 8.355 0.001 . . . . . . 298 G H . 26823 1 136 . 1 1 35 35 GLY C C 13 174.222 0.007 . . . . . . 298 G C . 26823 1 137 . 1 1 35 35 GLY CA C 13 45.378 0.013 . . . . . . 298 G CA . 26823 1 138 . 1 1 35 35 GLY N N 15 107.952 0.013 . . . . . . 298 G N . 26823 1 139 . 1 1 36 36 LEU H H 1 8.096 0.001 . . . . . . 299 L H . 26823 1 140 . 1 1 36 36 LEU C C 13 177.978 0.001 . . . . . . 299 L C . 26823 1 141 . 1 1 36 36 LEU CA C 13 55.248 0.019 . . . . . . 299 L CA . 26823 1 142 . 1 1 36 36 LEU CB C 13 42.368 0.012 . . . . . . 299 L CB . 26823 1 143 . 1 1 36 36 LEU N N 15 121.267 0.008 . . . . . . 299 L N . 26823 1 144 . 1 1 37 37 GLY H H 1 8.413 0.002 . . . . . . 300 G H . 26823 1 145 . 1 1 37 37 GLY C C 13 173.952 0.006 . . . . . . 300 G C . 26823 1 146 . 1 1 37 37 GLY CA C 13 45.453 0.014 . . . . . . 300 G CA . 26823 1 147 . 1 1 37 37 GLY N N 15 109.107 0.026 . . . . . . 300 G N . 26823 1 148 . 1 1 38 38 ASN H H 1 8.272 0.001 . . . . . . 301 N H . 26823 1 149 . 1 1 38 38 ASN C C 13 175.087 0.047 . . . . . . 301 N C . 26823 1 150 . 1 1 38 38 ASN CA C 13 53.264 0.050 . . . . . . 301 N CA . 26823 1 151 . 1 1 38 38 ASN CB C 13 38.817 0.008 . . . . . . 301 N CB . 26823 1 152 . 1 1 38 38 ASN N N 15 118.553 0.020 . . . . . . 301 N N . 26823 1 153 . 1 1 39 39 ASN H H 1 8.459 0.001 . . . . . . 302 N H . 26823 1 154 . 1 1 39 39 ASN C C 13 175.259 0.026 . . . . . . 302 N C . 26823 1 155 . 1 1 39 39 ASN CA C 13 53.454 0.029 . . . . . . 302 N CA . 26823 1 156 . 1 1 39 39 ASN CB C 13 38.721 0.020 . . . . . . 302 N CB . 26823 1 157 . 1 1 39 39 ASN N N 15 119.004 0.010 . . . . . . 302 N N . 26823 1 158 . 1 1 40 40 GLN H H 1 8.336 0.001 . . . . . . 303 Q H . 26823 1 159 . 1 1 40 40 GLN C C 13 176.476 0.025 . . . . . . 303 Q C . 26823 1 160 . 1 1 40 40 GLN CA C 13 56.256 0.060 . . . . . . 303 Q CA . 26823 1 161 . 1 1 40 40 GLN CB C 13 29.242 0.005 . . . . . . 303 Q CB . 26823 1 162 . 1 1 40 40 GLN N N 15 120.366 0.014 . . . . . . 303 Q N . 26823 1 163 . 1 1 41 41 GLY H H 1 8.387 0.006 . . . . . . 304 G H . 26823 1 164 . 1 1 41 41 GLY C C 13 174.207 0.024 . . . . . . 304 G C . 26823 1 165 . 1 1 41 41 GLY CA C 13 45.438 0.043 . . . . . . 304 G CA . 26823 1 166 . 1 1 41 41 GLY N N 15 109.470 0.026 . . . . . . 304 G N . 26823 1 167 . 1 1 42 42 SER H H 1 8.176 0.003 . . . . . . 305 S H . 26823 1 168 . 1 1 42 42 SER C C 13 174.394 0.003 . . . . . . 305 S C . 26823 1 169 . 1 1 42 42 SER CA C 13 58.448 0.061 . . . . . . 305 S CA . 26823 1 170 . 1 1 42 42 SER CB C 13 63.970 0.014 . . . . . . 305 S CB . 26823 1 171 . 1 1 42 42 SER N N 15 115.406 0.077 . . . . . . 305 S N . 26823 1 172 . 1 1 43 43 ASN H H 1 8.493 0.002 . . . . . . 306 N H . 26823 1 173 . 1 1 43 43 ASN C C 13 175.312 0.013 . . . . . . 306 N C . 26823 1 174 . 1 1 43 43 ASN CA C 13 53.349 0.040 . . . . . . 306 N CA . 26823 1 175 . 1 1 43 43 ASN CB C 13 38.557 0.016 . . . . . . 306 N CB . 26823 1 176 . 1 1 43 43 ASN N N 15 120.415 0.010 . . . . . . 306 N N . 26823 1 177 . 1 1 44 44 MET H H 1 8.303 0.002 . . . . . . 307 M H . 26823 1 178 . 1 1 44 44 MET C C 13 176.781 0.002 . . . . . . 307 M C . 26823 1 179 . 1 1 44 44 MET CA C 13 55.671 0.041 . . . . . . 307 M CA . 26823 1 180 . 1 1 44 44 MET CB C 13 32.557 0.104 . . . . . . 307 M CB . 26823 1 181 . 1 1 44 44 MET N N 15 120.289 0.054 . . . . . . 307 M N . 26823 1 182 . 1 1 45 45 GLY H H 1 8.372 0.002 . . . . . . 308 G H . 26823 1 183 . 1 1 45 45 GLY C C 13 174.682 0.005 . . . . . . 308 G C . 26823 1 184 . 1 1 45 45 GLY CA C 13 45.492 0.000 . . . . . . 308 G CA . 26823 1 185 . 1 1 45 45 GLY N N 15 109.539 0.031 . . . . . . 308 G N . 26823 1 186 . 1 1 46 46 GLY H H 1 8.233 0.001 . . . . . . 309 G H . 26823 1 187 . 1 1 46 46 GLY C C 13 174.717 0.017 . . . . . . 309 G C . 26823 1 188 . 1 1 46 46 GLY CA C 13 45.386 0.074 . . . . . . 309 G CA . 26823 1 189 . 1 1 46 46 GLY N N 15 108.577 0.006 . . . . . . 309 G N . 26823 1 190 . 1 1 47 47 GLY H H 1 8.290 0.001 . . . . . . 310 G H . 26823 1 191 . 1 1 47 47 GLY C C 13 174.067 0.070 . . . . . . 310 G C . 26823 1 192 . 1 1 47 47 GLY CA C 13 45.267 0.012 . . . . . . 310 G CA . 26823 1 193 . 1 1 47 47 GLY N N 15 108.753 0.016 . . . . . . 310 G N . 26823 1 194 . 1 1 48 48 MET H H 1 8.173 0.001 . . . . . . 311 M H . 26823 1 195 . 1 1 48 48 MET C C 13 175.633 0.003 . . . . . . 311 M C . 26823 1 196 . 1 1 48 48 MET CA C 13 55.462 0.056 . . . . . . 311 M CA . 26823 1 197 . 1 1 48 48 MET CB C 13 32.803 0.005 . . . . . . 311 M CB . 26823 1 198 . 1 1 48 48 MET N N 15 119.353 0.008 . . . . . . 311 M N . 26823 1 199 . 1 1 49 49 ASN H H 1 8.314 0.001 . . . . . . 312 N H . 26823 1 200 . 1 1 49 49 ASN C C 13 174.811 0.015 . . . . . . 312 N C . 26823 1 201 . 1 1 49 49 ASN CA C 13 53.006 0.097 . . . . . . 312 N CA . 26823 1 202 . 1 1 49 49 ASN CB C 13 38.775 0.015 . . . . . . 312 N CB . 26823 1 203 . 1 1 49 49 ASN N N 15 119.372 0.013 . . . . . . 312 N N . 26823 1 204 . 1 1 50 50 PHE H H 1 8.214 0.008 . . . . . . 313 F H . 26823 1 205 . 1 1 50 50 PHE C C 13 176.251 0.011 . . . . . . 313 F C . 26823 1 206 . 1 1 50 50 PHE CA C 13 58.153 0.050 . . . . . . 313 F CA . 26823 1 207 . 1 1 50 50 PHE CB C 13 39.309 0.048 . . . . . . 313 F CB . 26823 1 208 . 1 1 50 50 PHE N N 15 120.878 0.025 . . . . . . 313 F N . 26823 1 209 . 1 1 51 51 GLY H H 1 8.281 0.001 . . . . . . 314 G H . 26823 1 210 . 1 1 51 51 GLY C C 13 173.938 0.015 . . . . . . 314 G C . 26823 1 211 . 1 1 51 51 GLY CA C 13 45.483 0.026 . . . . . . 314 G CA . 26823 1 212 . 1 1 51 51 GLY N N 15 109.861 0.014 . . . . . . 314 G N . 26823 1 213 . 1 1 52 52 ALA H H 1 7.994 0.002 . . . . . . 315 A H . 26823 1 214 . 1 1 52 52 ALA C C 13 177.387 0.002 . . . . . . 315 A C . 26823 1 215 . 1 1 52 52 ALA CA C 13 52.628 0.028 . . . . . . 315 A CA . 26823 1 216 . 1 1 52 52 ALA CB C 13 19.029 0.022 . . . . . . 315 A CB . 26823 1 217 . 1 1 52 52 ALA N N 15 123.571 0.008 . . . . . . 315 A N . 26823 1 218 . 1 1 53 53 PHE H H 1 8.025 0.002 . . . . . . 316 F H . 26823 1 219 . 1 1 53 53 PHE C C 13 175.552 0.006 . . . . . . 316 F C . 26823 1 220 . 1 1 53 53 PHE CA C 13 57.543 0.017 . . . . . . 316 F CA . 26823 1 221 . 1 1 53 53 PHE CB C 13 39.482 0.031 . . . . . . 316 F CB . 26823 1 222 . 1 1 53 53 PHE N N 15 118.141 0.012 . . . . . . 316 F N . 26823 1 223 . 1 1 54 54 SER H H 1 8.013 0.002 . . . . . . 317 S H . 26823 1 224 . 1 1 54 54 SER C C 13 173.932 0.018 . . . . . . 317 S C . 26823 1 225 . 1 1 54 54 SER CA C 13 58.254 0.081 . . . . . . 317 S CA . 26823 1 226 . 1 1 54 54 SER CB C 13 63.968 0.039 . . . . . . 317 S CB . 26823 1 227 . 1 1 54 54 SER N N 15 116.568 0.013 . . . . . . 317 S N . 26823 1 228 . 1 1 55 55 ILE H H 1 7.985 0.002 . . . . . . 318 I H . 26823 1 229 . 1 1 55 55 ILE C C 13 175.284 0.019 . . . . . . 318 I C . 26823 1 230 . 1 1 55 55 ILE CA C 13 60.858 0.045 . . . . . . 318 I CA . 26823 1 231 . 1 1 55 55 ILE CB C 13 38.915 0.056 . . . . . . 318 I CB . 26823 1 232 . 1 1 55 55 ILE N N 15 121.334 0.012 . . . . . . 318 I N . 26823 1 233 . 1 1 56 56 ASN H H 1 8.245 0.002 . . . . . . 319 N H . 26823 1 234 . 1 1 56 56 ASN C C 13 173.930 0.000 . . . . . . 319 N C . 26823 1 235 . 1 1 56 56 ASN CA C 13 51.157 0.000 . . . . . . 319 N CA . 26823 1 236 . 1 1 56 56 ASN CB C 13 38.927 0.000 . . . . . . 319 N CB . 26823 1 237 . 1 1 56 56 ASN N N 15 123.305 0.011 . . . . . . 319 N N . 26823 1 238 . 1 1 57 57 PRO C C 13 177.793 0.005 . . . . . . 320 P C . 26823 1 239 . 1 1 57 57 PRO CA C 13 64.661 0.084 . . . . . . 320 P CA . 26823 1 240 . 1 1 57 57 PRO CB C 13 32.052 0.076 . . . . . . 320 P CB . 26823 1 241 . 1 1 58 58 ALA H H 1 8.119 0.001 . . . . . . 321 A H . 26823 1 242 . 1 1 58 58 ALA C C 13 179.290 0.002 . . . . . . 321 A C . 26823 1 243 . 1 1 58 58 ALA CA C 13 53.851 0.026 . . . . . . 321 A CA . 26823 1 244 . 1 1 58 58 ALA CB C 13 18.495 0.027 . . . . . . 321 A CB . 26823 1 245 . 1 1 58 58 ALA N N 15 121.188 0.012 . . . . . . 321 A N . 26823 1 246 . 1 1 59 59 MET H H 1 7.950 0.002 . . . . . . 322 M H . 26823 1 247 . 1 1 59 59 MET C C 13 177.382 0.001 . . . . . . 322 M C . 26823 1 248 . 1 1 59 59 MET CA C 13 56.347 0.024 . . . . . . 322 M CA . 26823 1 249 . 1 1 59 59 MET CB C 13 32.797 0.072 . . . . . . 322 M CB . 26823 1 250 . 1 1 59 59 MET N N 15 118.030 0.009 . . . . . . 322 M N . 26823 1 251 . 1 1 60 60 MET H H 1 7.960 0.002 . . . . . . 323 M H . 26823 1 252 . 1 1 60 60 MET C C 13 177.001 0.020 . . . . . . 323 M C . 26823 1 253 . 1 1 60 60 MET CA C 13 56.863 0.059 . . . . . . 323 M CA . 26823 1 254 . 1 1 60 60 MET CB C 13 32.656 0.050 . . . . . . 323 M CB . 26823 1 255 . 1 1 60 60 MET N N 15 120.267 0.009 . . . . . . 323 M N . 26823 1 256 . 1 1 61 61 ALA H H 1 8.165 0.001 . . . . . . 324 A H . 26823 1 257 . 1 1 61 61 ALA C C 13 179.083 0.003 . . . . . . 324 A C . 26823 1 258 . 1 1 61 61 ALA CA C 13 53.776 0.021 . . . . . . 324 A CA . 26823 1 259 . 1 1 61 61 ALA CB C 13 18.533 0.018 . . . . . . 324 A CB . 26823 1 260 . 1 1 61 61 ALA N N 15 123.387 0.016 . . . . . . 324 A N . 26823 1 261 . 1 1 62 62 ALA H H 1 8.044 0.001 . . . . . . 325 A H . 26823 1 262 . 1 1 62 62 ALA C C 13 179.034 0.001 . . . . . . 325 A C . 26823 1 263 . 1 1 62 62 ALA CA C 13 53.761 0.009 . . . . . . 325 A CA . 26823 1 264 . 1 1 62 62 ALA CB C 13 18.548 0.003 . . . . . . 325 A CB . 26823 1 265 . 1 1 62 62 ALA N N 15 122.007 0.032 . . . . . . 325 A N . 26823 1 266 . 1 1 63 63 ALA H H 1 8.044 0.002 . . . . . . 326 A H . 26823 1 267 . 1 1 63 63 ALA C C 13 179.033 0.016 . . . . . . 326 A C . 26823 1 268 . 1 1 63 63 ALA CA C 13 53.722 0.040 . . . . . . 326 A CA . 26823 1 269 . 1 1 63 63 ALA CB C 13 18.574 0.026 . . . . . . 326 A CB . 26823 1 270 . 1 1 63 63 ALA N N 15 121.953 0.029 . . . . . . 326 A N . 26823 1 271 . 1 1 64 64 GLN H H 1 8.056 0.002 . . . . . . 327 Q H . 26823 1 272 . 1 1 64 64 GLN C C 13 177.151 0.001 . . . . . . 327 Q C . 26823 1 273 . 1 1 64 64 GLN CA C 13 57.320 0.048 . . . . . . 327 Q CA . 26823 1 274 . 1 1 64 64 GLN CB C 13 28.759 0.075 . . . . . . 327 Q CB . 26823 1 275 . 1 1 64 64 GLN N N 15 118.046 0.018 . . . . . . 327 Q N . 26823 1 276 . 1 1 65 65 ALA H H 1 8.049 0.002 . . . . . . 328 A H . 26823 1 277 . 1 1 65 65 ALA C C 13 178.719 0.003 . . . . . . 328 A C . 26823 1 278 . 1 1 65 65 ALA CA C 13 53.748 0.023 . . . . . . 328 A CA . 26823 1 279 . 1 1 65 65 ALA CB C 13 18.542 0.012 . . . . . . 328 A CB . 26823 1 280 . 1 1 65 65 ALA N N 15 123.073 0.022 . . . . . . 328 A N . 26823 1 281 . 1 1 66 66 ALA H H 1 7.914 0.001 . . . . . . 329 A H . 26823 1 282 . 1 1 66 66 ALA C C 13 178.659 0.009 . . . . . . 329 A C . 26823 1 283 . 1 1 66 66 ALA CA C 13 53.379 0.063 . . . . . . 329 A CA . 26823 1 284 . 1 1 66 66 ALA CB C 13 18.671 0.036 . . . . . . 329 A CB . 26823 1 285 . 1 1 66 66 ALA N N 15 121.132 0.010 . . . . . . 329 A N . 26823 1 286 . 1 1 67 67 LEU H H 1 7.834 0.002 . . . . . . 330 L H . 26823 1 287 . 1 1 67 67 LEU C C 13 177.973 0.000 . . . . . . 330 L C . 26823 1 288 . 1 1 67 67 LEU CA C 13 55.993 0.032 . . . . . . 330 L CA . 26823 1 289 . 1 1 67 67 LEU CB C 13 42.107 0.036 . . . . . . 330 L CB . 26823 1 290 . 1 1 67 67 LEU N N 15 119.770 0.020 . . . . . . 330 L N . 26823 1 291 . 1 1 68 68 GLN H H 1 8.039 0.002 . . . . . . 331 Q H . 26823 1 292 . 1 1 68 68 GLN C C 13 176.686 0.005 . . . . . . 331 Q C . 26823 1 293 . 1 1 68 68 GLN CA C 13 56.569 0.036 . . . . . . 331 Q CA . 26823 1 294 . 1 1 68 68 GLN CB C 13 28.981 0.038 . . . . . . 331 Q CB . 26823 1 295 . 1 1 68 68 GLN N N 15 119.119 0.017 . . . . . . 331 Q N . 26823 1 296 . 1 1 69 69 SER H H 1 8.104 0.002 . . . . . . 332 S H . 26823 1 297 . 1 1 69 69 SER C C 13 175.023 0.002 . . . . . . 332 S C . 26823 1 298 . 1 1 69 69 SER CA C 13 58.962 0.039 . . . . . . 332 S CA . 26823 1 299 . 1 1 69 69 SER CB C 13 63.671 0.011 . . . . . . 332 S CB . 26823 1 300 . 1 1 69 69 SER N N 15 115.416 0.017 . . . . . . 332 S N . 26823 1 301 . 1 1 70 70 SER H H 1 8.113 0.002 . . . . . . 333 S H . 26823 1 302 . 1 1 70 70 SER C C 13 174.745 0.004 . . . . . . 333 S C . 26823 1 303 . 1 1 70 70 SER CA C 13 58.994 0.083 . . . . . . 333 S CA . 26823 1 304 . 1 1 70 70 SER CB C 13 63.623 0.052 . . . . . . 333 S CB . 26823 1 305 . 1 1 70 70 SER N N 15 117.150 0.007 . . . . . . 333 S N . 26823 1 306 . 1 1 71 71 TRP H H 1 8.028 0.002 . . . . . . 334 W H . 26823 1 307 . 1 1 71 71 TRP C C 13 177.216 0.001 . . . . . . 334 W C . 26823 1 308 . 1 1 71 71 TRP CA C 13 57.937 0.063 . . . . . . 334 W CA . 26823 1 309 . 1 1 71 71 TRP CB C 13 29.417 0.045 . . . . . . 334 W CB . 26823 1 310 . 1 1 71 71 TRP N N 15 122.383 0.015 . . . . . . 334 W N . 26823 1 311 . 1 1 72 72 GLY H H 1 8.167 0.002 . . . . . . 335 G H . 26823 1 312 . 1 1 72 72 GLY C C 13 174.571 0.028 . . . . . . 335 G C . 26823 1 313 . 1 1 72 72 GLY CA C 13 45.756 0.040 . . . . . . 335 G CA . 26823 1 314 . 1 1 72 72 GLY N N 15 109.230 0.018 . . . . . . 335 G N . 26823 1 315 . 1 1 73 73 MET H H 1 8.041 0.002 . . . . . . 336 M H . 26823 1 316 . 1 1 73 73 MET C C 13 176.708 0.029 . . . . . . 336 M C . 26823 1 317 . 1 1 73 73 MET CA C 13 56.029 0.017 . . . . . . 336 M CA . 26823 1 318 . 1 1 73 73 MET CB C 13 32.710 0.079 . . . . . . 336 M CB . 26823 1 319 . 1 1 73 73 MET N N 15 119.571 0.042 . . . . . . 336 M N . 26823 1 320 . 1 1 74 74 MET H H 1 8.260 0.002 . . . . . . 337 M H . 26823 1 321 . 1 1 74 74 MET C C 13 177.009 0.014 . . . . . . 337 M C . 26823 1 322 . 1 1 74 74 MET CA C 13 56.165 0.041 . . . . . . 337 M CA . 26823 1 323 . 1 1 74 74 MET CB C 13 32.436 0.206 . . . . . . 337 M CB . 26823 1 324 . 1 1 74 74 MET N N 15 119.686 0.014 . . . . . . 337 M N . 26823 1 325 . 1 1 75 75 GLY H H 1 8.257 0.002 . . . . . . 338 G H . 26823 1 326 . 1 1 75 75 GLY C C 13 174.439 0.009 . . . . . . 338 G C . 26823 1 327 . 1 1 75 75 GLY CA C 13 45.727 0.010 . . . . . . 338 G CA . 26823 1 328 . 1 1 75 75 GLY N N 15 109.007 0.027 . . . . . . 338 G N . 26823 1 329 . 1 1 76 76 MET H H 1 8.041 0.002 . . . . . . 339 M H . 26823 1 330 . 1 1 76 76 MET C C 13 176.579 0.005 . . . . . . 339 M C . 26823 1 331 . 1 1 76 76 MET CA C 13 55.989 0.057 . . . . . . 339 M CA . 26823 1 332 . 1 1 76 76 MET CB C 13 32.815 0.024 . . . . . . 339 M CB . 26823 1 333 . 1 1 76 76 MET N N 15 119.635 0.026 . . . . . . 339 M N . 26823 1 334 . 1 1 77 77 LEU H H 1 8.147 0.001 . . . . . . 340 L H . 26823 1 335 . 1 1 77 77 LEU C C 13 177.585 0.007 . . . . . . 340 L C . 26823 1 336 . 1 1 77 77 LEU CA C 13 55.536 0.071 . . . . . . 340 L CA . 26823 1 337 . 1 1 77 77 LEU CB C 13 42.237 0.028 . . . . . . 340 L CB . 26823 1 338 . 1 1 77 77 LEU N N 15 122.258 0.009 . . . . . . 340 L N . 26823 1 339 . 1 1 78 78 ALA H H 1 8.191 0.001 . . . . . . 341 A H . 26823 1 340 . 1 1 78 78 ALA C C 13 178.138 0.006 . . . . . . 341 A C . 26823 1 341 . 1 1 78 78 ALA CA C 13 53.141 0.065 . . . . . . 341 A CA . 26823 1 342 . 1 1 78 78 ALA CB C 13 18.959 0.048 . . . . . . 341 A CB . 26823 1 343 . 1 1 78 78 ALA N N 15 124.021 0.016 . . . . . . 341 A N . 26823 1 344 . 1 1 79 79 SER H H 1 8.079 0.001 . . . . . . 342 S H . 26823 1 345 . 1 1 79 79 SER C C 13 174.906 0.008 . . . . . . 342 S C . 26823 1 346 . 1 1 79 79 SER CA C 13 58.763 0.042 . . . . . . 342 S CA . 26823 1 347 . 1 1 79 79 SER CB C 13 63.666 0.009 . . . . . . 342 S CB . 26823 1 348 . 1 1 79 79 SER N N 15 113.746 0.006 . . . . . . 342 S N . 26823 1 349 . 1 1 80 80 GLN H H 1 8.194 0.001 . . . . . . 343 Q H . 26823 1 350 . 1 1 80 80 GLN C C 13 176.129 0.006 . . . . . . 343 Q C . 26823 1 351 . 1 1 80 80 GLN CA C 13 56.148 0.118 . . . . . . 343 Q CA . 26823 1 352 . 1 1 80 80 GLN CB C 13 29.290 0.032 . . . . . . 343 Q CB . 26823 1 353 . 1 1 80 80 GLN N N 15 121.388 0.013 . . . . . . 343 Q N . 26823 1 354 . 1 1 81 81 GLN H H 1 8.228 0.001 . . . . . . 344 Q H . 26823 1 355 . 1 1 81 81 GLN C C 13 175.807 0.010 . . . . . . 344 Q C . 26823 1 356 . 1 1 81 81 GLN CA C 13 56.177 0.014 . . . . . . 344 Q CA . 26823 1 357 . 1 1 81 81 GLN CB C 13 29.325 0.021 . . . . . . 344 Q CB . 26823 1 358 . 1 1 81 81 GLN N N 15 120.283 0.007 . . . . . . 344 Q N . 26823 1 359 . 1 1 82 82 ASN H H 1 8.396 0.004 . . . . . . 345 N H . 26823 1 360 . 1 1 82 82 ASN C C 13 175.198 0.014 . . . . . . 345 N C . 26823 1 361 . 1 1 82 82 ASN CA C 13 53.476 0.055 . . . . . . 345 N CA . 26823 1 362 . 1 1 82 82 ASN CB C 13 38.797 0.057 . . . . . . 345 N CB . 26823 1 363 . 1 1 82 82 ASN N N 15 119.228 0.010 . . . . . . 345 N N . 26823 1 364 . 1 1 83 83 GLN H H 1 8.352 0.001 . . . . . . 346 Q H . 26823 1 365 . 1 1 83 83 GLN C C 13 175.932 0.007 . . . . . . 346 Q C . 26823 1 366 . 1 1 83 83 GLN CA C 13 56.069 0.081 . . . . . . 346 Q CA . 26823 1 367 . 1 1 83 83 GLN CB C 13 29.409 0.037 . . . . . . 346 Q CB . 26823 1 368 . 1 1 83 83 GLN N N 15 120.631 0.011 . . . . . . 346 Q N . 26823 1 369 . 1 1 84 84 SER H H 1 8.337 0.001 . . . . . . 347 S H . 26823 1 370 . 1 1 84 84 SER C C 13 174.510 0.000 . . . . . . 347 S C . 26823 1 371 . 1 1 84 84 SER CA C 13 58.450 0.034 . . . . . . 347 S CA . 26823 1 372 . 1 1 84 84 SER CB C 13 64.052 0.004 . . . . . . 347 S CB . 26823 1 373 . 1 1 84 84 SER N N 15 116.606 0.008 . . . . . . 347 S N . 26823 1 374 . 1 1 85 85 GLY H H 1 8.187 0.001 . . . . . . 348 G H . 26823 1 375 . 1 1 85 85 GLY C C 13 171.919 0.000 . . . . . . 348 G C . 26823 1 376 . 1 1 85 85 GLY CA C 13 44.705 0.000 . . . . . . 348 G CA . 26823 1 377 . 1 1 85 85 GLY N N 15 110.451 0.011 . . . . . . 348 G N . 26823 1 378 . 1 1 86 86 PRO C C 13 177.399 0.008 . . . . . . 349 P C . 26823 1 379 . 1 1 86 86 PRO CA C 13 63.407 0.000 . . . . . . 349 P CA . 26823 1 380 . 1 1 86 86 PRO CB C 13 32.037 0.004 . . . . . . 349 P CB . 26823 1 381 . 1 1 87 87 SER H H 1 8.443 0.001 . . . . . . 350 S H . 26823 1 382 . 1 1 87 87 SER C C 13 175.118 0.007 . . . . . . 350 S C . 26823 1 383 . 1 1 87 87 SER CA C 13 58.539 0.084 . . . . . . 350 S CA . 26823 1 384 . 1 1 87 87 SER CB C 13 63.968 0.028 . . . . . . 350 S CB . 26823 1 385 . 1 1 87 87 SER N N 15 115.829 0.015 . . . . . . 350 S N . 26823 1 386 . 1 1 88 88 GLY H H 1 8.322 0.001 . . . . . . 351 G H . 26823 1 387 . 1 1 88 88 GLY C C 13 173.935 0.008 . . . . . . 351 G C . 26823 1 388 . 1 1 88 88 GLY CA C 13 45.459 0.023 . . . . . . 351 G CA . 26823 1 389 . 1 1 88 88 GLY N N 15 110.352 0.014 . . . . . . 351 G N . 26823 1 390 . 1 1 89 89 ASN H H 1 8.281 0.009 . . . . . . 352 N H . 26823 1 391 . 1 1 89 89 ASN C C 13 175.133 0.005 . . . . . . 352 N C . 26823 1 392 . 1 1 89 89 ASN CA C 13 53.246 0.068 . . . . . . 352 N CA . 26823 1 393 . 1 1 89 89 ASN CB C 13 38.827 0.001 . . . . . . 352 N CB . 26823 1 394 . 1 1 89 89 ASN N N 15 118.509 0.038 . . . . . . 352 N N . 26823 1 395 . 1 1 90 90 ASN H H 1 8.432 0.002 . . . . . . 353 N H . 26823 1 396 . 1 1 90 90 ASN C C 13 175.326 0.020 . . . . . . 353 N C . 26823 1 397 . 1 1 90 90 ASN CA C 13 53.517 0.055 . . . . . . 353 N CA . 26823 1 398 . 1 1 90 90 ASN CB C 13 38.664 0.053 . . . . . . 353 N CB . 26823 1 399 . 1 1 90 90 ASN N N 15 119.058 0.010 . . . . . . 353 N N . 26823 1 400 . 1 1 91 91 GLN H H 1 8.362 0.002 . . . . . . 354 Q H . 26823 1 401 . 1 1 91 91 GLN C C 13 175.856 0.007 . . . . . . 354 Q C . 26823 1 402 . 1 1 91 91 GLN CA C 13 56.258 0.037 . . . . . . 354 Q CA . 26823 1 403 . 1 1 91 91 GLN CB C 13 29.160 0.031 . . . . . . 354 Q CB . 26823 1 404 . 1 1 91 91 GLN N N 15 120.017 0.012 . . . . . . 354 Q N . 26823 1 405 . 1 1 92 92 ASN H H 1 8.426 0.003 . . . . . . 355 N H . 26823 1 406 . 1 1 92 92 ASN C C 13 175.279 0.009 . . . . . . 355 N C . 26823 1 407 . 1 1 92 92 ASN CA C 13 53.517 0.055 . . . . . . 355 N CA . 26823 1 408 . 1 1 92 92 ASN CB C 13 38.664 0.053 . . . . . . 355 N CB . 26823 1 409 . 1 1 92 92 ASN N N 15 119.027 0.016 . . . . . . 355 N N . 26823 1 410 . 1 1 93 93 GLN H H 1 8.358 0.004 . . . . . . 356 Q H . 26823 1 411 . 1 1 93 93 GLN C C 13 176.497 0.033 . . . . . . 356 Q C . 26823 1 412 . 1 1 93 93 GLN CA C 13 56.307 0.016 . . . . . . 356 Q CA . 26823 1 413 . 1 1 93 93 GLN CB C 13 29.222 0.045 . . . . . . 356 Q CB . 26823 1 414 . 1 1 93 93 GLN N N 15 120.037 0.018 . . . . . . 356 Q N . 26823 1 415 . 1 1 94 94 GLY H H 1 8.408 0.002 . . . . . . 357 G H . 26823 1 416 . 1 1 94 94 GLY C C 13 173.955 0.007 . . . . . . 357 G C . 26823 1 417 . 1 1 94 94 GLY CA C 13 45.453 0.014 . . . . . . 357 G CA . 26823 1 418 . 1 1 94 94 GLY N N 15 109.207 0.034 . . . . . . 357 G N . 26823 1 419 . 1 1 95 95 ASN H H 1 8.271 0.003 . . . . . . 358 N H . 26823 1 420 . 1 1 95 95 ASN C C 13 175.362 0.016 . . . . . . 358 N C . 26823 1 421 . 1 1 95 95 ASN CA C 13 53.304 0.016 . . . . . . 358 N CA . 26823 1 422 . 1 1 95 95 ASN CB C 13 38.783 0.067 . . . . . . 358 N CB . 26823 1 423 . 1 1 95 95 ASN N N 15 118.515 0.047 . . . . . . 358 N N . 26823 1 424 . 1 1 96 96 MET H H 1 8.284 0.007 . . . . . . 359 M H . 26823 1 425 . 1 1 96 96 MET C C 13 176.070 0.004 . . . . . . 359 M C . 26823 1 426 . 1 1 96 96 MET CA C 13 55.714 0.002 . . . . . . 359 M CA . 26823 1 427 . 1 1 96 96 MET CB C 13 32.661 0.032 . . . . . . 359 M CB . 26823 1 428 . 1 1 96 96 MET N N 15 120.373 0.041 . . . . . . 359 M N . 26823 1 429 . 1 1 97 97 GLN H H 1 8.329 0.001 . . . . . . 360 Q H . 26823 1 430 . 1 1 97 97 GLN C C 13 175.625 0.005 . . . . . . 360 Q C . 26823 1 431 . 1 1 97 97 GLN CA C 13 55.869 0.002 . . . . . . 360 Q CA . 26823 1 432 . 1 1 97 97 GLN CB C 13 29.261 0.028 . . . . . . 360 Q CB . 26823 1 433 . 1 1 97 97 GLN N N 15 121.215 0.013 . . . . . . 360 Q N . 26823 1 434 . 1 1 98 98 ARG H H 1 8.286 0.001 . . . . . . 361 R H . 26823 1 435 . 1 1 98 98 ARG C C 13 175.908 0.004 . . . . . . 361 R C . 26823 1 436 . 1 1 98 98 ARG CA C 13 55.939 0.064 . . . . . . 361 R CA . 26823 1 437 . 1 1 98 98 ARG CB C 13 31.092 0.037 . . . . . . 361 R CB . 26823 1 438 . 1 1 98 98 ARG N N 15 122.319 0.005 . . . . . . 361 R N . 26823 1 439 . 1 1 99 99 GLU H H 1 8.416 0.001 . . . . . . 362 E H . 26823 1 440 . 1 1 99 99 GLU C C 13 174.776 0.000 . . . . . . 362 E C . 26823 1 441 . 1 1 99 99 GLU CA C 13 54.527 0.000 . . . . . . 362 E CA . 26823 1 442 . 1 1 99 99 GLU CB C 13 29.595 0.000 . . . . . . 362 E CB . 26823 1 443 . 1 1 99 99 GLU N N 15 123.155 0.011 . . . . . . 362 E N . 26823 1 444 . 1 1 100 100 PRO C C 13 176.745 0.007 . . . . . . 363 P C . 26823 1 445 . 1 1 100 100 PRO CA C 13 63.539 0.036 . . . . . . 363 P CA . 26823 1 446 . 1 1 100 100 PRO CB C 13 31.994 0.005 . . . . . . 363 P CB . 26823 1 447 . 1 1 101 101 ASN H H 1 8.470 0.002 . . . . . . 364 N H . 26823 1 448 . 1 1 101 101 ASN C C 13 175.259 0.014 . . . . . . 364 N C . 26823 1 449 . 1 1 101 101 ASN CA C 13 53.480 0.040 . . . . . . 364 N CA . 26823 1 450 . 1 1 101 101 ASN CB C 13 38.598 0.020 . . . . . . 364 N CB . 26823 1 451 . 1 1 101 101 ASN N N 15 117.837 0.014 . . . . . . 364 N N . 26823 1 452 . 1 1 102 102 GLN H H 1 8.209 0.002 . . . . . . 365 Q H . 26823 1 453 . 1 1 102 102 GLN C C 13 175.542 0.004 . . . . . . 365 Q C . 26823 1 454 . 1 1 102 102 GLN CA C 13 55.902 0.014 . . . . . . 365 Q CA . 26823 1 455 . 1 1 102 102 GLN CB C 13 29.458 0.018 . . . . . . 365 Q CB . 26823 1 456 . 1 1 102 102 GLN N N 15 120.584 0.008 . . . . . . 365 Q N . 26823 1 457 . 1 1 103 103 ALA H H 1 8.222 0.001 . . . . . . 366 A H . 26823 1 458 . 1 1 103 103 ALA C C 13 177.423 0.007 . . . . . . 366 A C . 26823 1 459 . 1 1 103 103 ALA CA C 13 52.566 0.033 . . . . . . 366 A CA . 26823 1 460 . 1 1 103 103 ALA CB C 13 19.100 0.052 . . . . . . 366 A CB . 26823 1 461 . 1 1 103 103 ALA N N 15 124.736 0.022 . . . . . . 366 A N . 26823 1 462 . 1 1 104 104 PHE H H 1 8.141 0.001 . . . . . . 367 F H . 26823 1 463 . 1 1 104 104 PHE C C 13 176.377 0.004 . . . . . . 367 F C . 26823 1 464 . 1 1 104 104 PHE CA C 13 57.832 0.062 . . . . . . 367 F CA . 26823 1 465 . 1 1 104 104 PHE CB C 13 39.524 0.012 . . . . . . 367 F CB . 26823 1 466 . 1 1 104 104 PHE N N 15 119.285 0.013 . . . . . . 367 F N . 26823 1 467 . 1 1 105 105 GLY H H 1 8.253 0.005 . . . . . . 368 G H . 26823 1 468 . 1 1 105 105 GLY C C 13 174.143 0.008 . . . . . . 368 G C . 26823 1 469 . 1 1 105 105 GLY CA C 13 45.405 0.026 . . . . . . 368 G CA . 26823 1 470 . 1 1 105 105 GLY N N 15 110.616 0.033 . . . . . . 368 G N . 26823 1 471 . 1 1 106 106 SER H H 1 8.214 0.004 . . . . . . 369 S H . 26823 1 472 . 1 1 106 106 SER C C 13 175.096 0.003 . . . . . . 369 S C . 26823 1 473 . 1 1 106 106 SER CA C 13 58.587 0.078 . . . . . . 369 S CA . 26823 1 474 . 1 1 106 106 SER CB C 13 63.996 0.040 . . . . . . 369 S CB . 26823 1 475 . 1 1 106 106 SER N N 15 115.508 0.007 . . . . . . 369 S N . 26823 1 476 . 1 1 107 107 GLY H H 1 8.460 0.002 . . . . . . 370 G H . 26823 1 477 . 1 1 107 107 GLY C C 13 173.948 0.015 . . . . . . 370 G C . 26823 1 478 . 1 1 107 107 GLY CA C 13 45.447 0.008 . . . . . . 370 G CA . 26823 1 479 . 1 1 107 107 GLY N N 15 110.658 0.085 . . . . . . 370 G N . 26823 1 480 . 1 1 108 108 ASN H H 1 8.272 0.002 . . . . . . 371 N H . 26823 1 481 . 1 1 108 108 ASN C C 13 175.043 0.026 . . . . . . 371 N C . 26823 1 482 . 1 1 108 108 ASN CA C 13 53.255 0.060 . . . . . . 371 N CA . 26823 1 483 . 1 1 108 108 ASN CB C 13 38.809 0.017 . . . . . . 371 N CB . 26823 1 484 . 1 1 108 108 ASN N N 15 118.496 0.052 . . . . . . 371 N N . 26823 1 485 . 1 1 109 109 ASN H H 1 8.403 0.002 . . . . . . 372 N H . 26823 1 486 . 1 1 109 109 ASN C C 13 175.172 0.011 . . . . . . 372 N C . 26823 1 487 . 1 1 109 109 ASN CA C 13 53.395 0.103 . . . . . . 372 N CA . 26823 1 488 . 1 1 109 109 ASN CB C 13 38.861 0.012 . . . . . . 372 N CB . 26823 1 489 . 1 1 109 109 ASN N N 15 119.220 0.008 . . . . . . 372 N N . 26823 1 490 . 1 1 110 110 SER H H 1 8.190 0.001 . . . . . . 373 S H . 26823 1 491 . 1 1 110 110 SER C C 13 174.158 0.004 . . . . . . 373 S C . 26823 1 492 . 1 1 110 110 SER CA C 13 58.629 0.094 . . . . . . 373 S CA . 26823 1 493 . 1 1 110 110 SER CB C 13 63.779 0.022 . . . . . . 373 S CB . 26823 1 494 . 1 1 110 110 SER N N 15 115.678 0.011 . . . . . . 373 S N . 26823 1 495 . 1 1 111 111 TYR H H 1 8.179 0.001 . . . . . . 374 Y H . 26823 1 496 . 1 1 111 111 TYR C C 13 175.894 0.001 . . . . . . 374 Y C . 26823 1 497 . 1 1 111 111 TYR CA C 13 57.981 0.082 . . . . . . 374 Y CA . 26823 1 498 . 1 1 111 111 TYR CB C 13 38.623 0.044 . . . . . . 374 Y CB . 26823 1 499 . 1 1 111 111 TYR N N 15 121.963 0.009 . . . . . . 374 Y N . 26823 1 500 . 1 1 112 112 SER H H 1 8.200 0.001 . . . . . . 375 S H . 26823 1 501 . 1 1 112 112 SER C C 13 174.782 0.006 . . . . . . 375 S C . 26823 1 502 . 1 1 112 112 SER CA C 13 58.299 0.017 . . . . . . 375 S CA . 26823 1 503 . 1 1 112 112 SER CB C 13 63.919 0.029 . . . . . . 375 S CB . 26823 1 504 . 1 1 112 112 SER N N 15 117.815 0.005 . . . . . . 375 S N . 26823 1 505 . 1 1 113 113 GLY H H 1 7.863 0.001 . . . . . . 376 G H . 26823 1 506 . 1 1 113 113 GLY C C 13 174.160 0.022 . . . . . . 376 G C . 26823 1 507 . 1 1 113 113 GLY CA C 13 45.407 0.021 . . . . . . 376 G CA . 26823 1 508 . 1 1 113 113 GLY N N 15 110.348 0.005 . . . . . . 376 G N . 26823 1 509 . 1 1 114 114 SER H H 1 8.178 0.003 . . . . . . 377 S H . 26823 1 510 . 1 1 114 114 SER C C 13 174.443 0.052 . . . . . . 377 S C . 26823 1 511 . 1 1 114 114 SER CA C 13 58.460 0.049 . . . . . . 377 S CA . 26823 1 512 . 1 1 114 114 SER CB C 13 63.947 0.037 . . . . . . 377 S CB . 26823 1 513 . 1 1 114 114 SER N N 15 115.372 0.072 . . . . . . 377 S N . 26823 1 514 . 1 1 115 115 ASN H H 1 8.481 0.003 . . . . . . 378 N H . 26823 1 515 . 1 1 115 115 ASN C C 13 175.330 0.004 . . . . . . 378 N C . 26823 1 516 . 1 1 115 115 ASN CA C 13 53.280 0.040 . . . . . . 378 N CA . 26823 1 517 . 1 1 115 115 ASN CB C 13 38.763 0.004 . . . . . . 378 N CB . 26823 1 518 . 1 1 115 115 ASN N N 15 120.732 0.021 . . . . . . 378 N N . 26823 1 519 . 1 1 116 116 SER H H 1 8.263 0.001 . . . . . . 379 S H . 26823 1 520 . 1 1 116 116 SER C C 13 175.046 0.007 . . . . . . 379 S C . 26823 1 521 . 1 1 116 116 SER CA C 13 58.881 0.160 . . . . . . 379 S CA . 26823 1 522 . 1 1 116 116 SER CB C 13 63.841 0.075 . . . . . . 379 S CB . 26823 1 523 . 1 1 116 116 SER N N 15 116.008 0.012 . . . . . . 379 S N . 26823 1 524 . 1 1 117 117 GLY H H 1 8.365 0.002 . . . . . . 380 G H . 26823 1 525 . 1 1 117 117 GLY C C 13 173.848 0.003 . . . . . . 380 G C . 26823 1 526 . 1 1 117 117 GLY CA C 13 45.383 0.009 . . . . . . 380 G CA . 26823 1 527 . 1 1 117 117 GLY N N 15 110.697 0.020 . . . . . . 380 G N . 26823 1 528 . 1 1 118 118 ALA H H 1 7.965 0.001 . . . . . . 381 A H . 26823 1 529 . 1 1 118 118 ALA C C 13 177.393 0.015 . . . . . . 381 A C . 26823 1 530 . 1 1 118 118 ALA CA C 13 52.413 0.038 . . . . . . 381 A CA . 26823 1 531 . 1 1 118 118 ALA CB C 13 19.363 0.024 . . . . . . 381 A CB . 26823 1 532 . 1 1 118 118 ALA N N 15 123.484 0.006 . . . . . . 381 A N . 26823 1 533 . 1 1 119 119 ALA H H 1 8.128 0.001 . . . . . . 382 A H . 26823 1 534 . 1 1 119 119 ALA C C 13 177.627 0.008 . . . . . . 382 A C . 26823 1 535 . 1 1 119 119 ALA CA C 13 52.408 0.005 . . . . . . 382 A CA . 26823 1 536 . 1 1 119 119 ALA CB C 13 19.060 0.041 . . . . . . 382 A CB . 26823 1 537 . 1 1 119 119 ALA N N 15 123.001 0.007 . . . . . . 382 A N . 26823 1 538 . 1 1 120 120 ILE H H 1 7.946 0.001 . . . . . . 383 I H . 26823 1 539 . 1 1 120 120 ILE C C 13 176.679 0.004 . . . . . . 383 I C . 26823 1 540 . 1 1 120 120 ILE CA C 13 61.301 0.038 . . . . . . 383 I CA . 26823 1 541 . 1 1 120 120 ILE CB C 13 38.644 0.043 . . . . . . 383 I CB . 26823 1 542 . 1 1 120 120 ILE N N 15 119.454 0.013 . . . . . . 383 I N . 26823 1 543 . 1 1 121 121 GLY H H 1 8.266 0.001 . . . . . . 384 G H . 26823 1 544 . 1 1 121 121 GLY C C 13 173.915 0.005 . . . . . . 384 G C . 26823 1 545 . 1 1 121 121 GLY CA C 13 45.257 0.008 . . . . . . 384 G CA . 26823 1 546 . 1 1 121 121 GLY N N 15 112.230 0.008 . . . . . . 384 G N . 26823 1 547 . 1 1 122 122 TRP H H 1 8.025 0.002 . . . . . . 385 W H . 26823 1 548 . 1 1 122 122 TRP C C 13 176.801 0.007 . . . . . . 385 W C . 26823 1 549 . 1 1 122 122 TRP CA C 13 57.569 0.024 . . . . . . 385 W CA . 26823 1 550 . 1 1 122 122 TRP CB C 13 29.635 0.020 . . . . . . 385 W CB . 26823 1 551 . 1 1 122 122 TRP N N 15 121.152 0.011 . . . . . . 385 W N . 26823 1 552 . 1 1 123 123 GLY H H 1 8.266 0.002 . . . . . . 386 G H . 26823 1 553 . 1 1 123 123 GLY C C 13 174.136 0.008 . . . . . . 386 G C . 26823 1 554 . 1 1 123 123 GLY CA C 13 45.430 0.011 . . . . . . 386 G CA . 26823 1 555 . 1 1 123 123 GLY N N 15 110.661 0.024 . . . . . . 386 G N . 26823 1 556 . 1 1 124 124 SER H H 1 8.081 0.002 . . . . . . 387 S H . 26823 1 557 . 1 1 124 124 SER C C 13 174.467 0.005 . . . . . . 387 S C . 26823 1 558 . 1 1 124 124 SER CA C 13 58.370 0.067 . . . . . . 387 S CA . 26823 1 559 . 1 1 124 124 SER CB C 13 63.951 0.034 . . . . . . 387 S CB . 26823 1 560 . 1 1 124 124 SER N N 15 115.578 0.006 . . . . . . 387 S N . 26823 1 561 . 1 1 125 125 ALA H H 1 8.353 0.001 . . . . . . 388 A H . 26823 1 562 . 1 1 125 125 ALA C C 13 177.847 0.003 . . . . . . 388 A C . 26823 1 563 . 1 1 125 125 ALA CA C 13 52.709 0.036 . . . . . . 388 A CA . 26823 1 564 . 1 1 125 125 ALA CB C 13 19.161 0.044 . . . . . . 388 A CB . 26823 1 565 . 1 1 125 125 ALA N N 15 125.668 0.012 . . . . . . 388 A N . 26823 1 566 . 1 1 126 126 SER H H 1 8.188 0.002 . . . . . . 389 S H . 26823 1 567 . 1 1 126 126 SER C C 13 174.392 0.012 . . . . . . 389 S C . 26823 1 568 . 1 1 126 126 SER CA C 13 58.578 0.066 . . . . . . 389 S CA . 26823 1 569 . 1 1 126 126 SER CB C 13 63.760 0.012 . . . . . . 389 S CB . 26823 1 570 . 1 1 126 126 SER N N 15 114.408 0.012 . . . . . . 389 S N . 26823 1 571 . 1 1 127 127 ASN H H 1 8.297 0.001 . . . . . . 390 N H . 26823 1 572 . 1 1 127 127 ASN C C 13 174.968 0.007 . . . . . . 390 N C . 26823 1 573 . 1 1 127 127 ASN CA C 13 53.251 0.066 . . . . . . 390 N CA . 26823 1 574 . 1 1 127 127 ASN CB C 13 38.808 0.026 . . . . . . 390 N CB . 26823 1 575 . 1 1 127 127 ASN N N 15 120.476 0.016 . . . . . . 390 N N . 26823 1 576 . 1 1 128 128 ALA H H 1 8.188 0.002 . . . . . . 391 A H . 26823 1 577 . 1 1 128 128 ALA C C 13 178.138 0.002 . . . . . . 391 A C . 26823 1 578 . 1 1 128 128 ALA CA C 13 52.970 0.084 . . . . . . 391 A CA . 26823 1 579 . 1 1 128 128 ALA CB C 13 19.056 0.028 . . . . . . 391 A CB . 26823 1 580 . 1 1 128 128 ALA N N 15 124.004 0.009 . . . . . . 391 A N . 26823 1 581 . 1 1 129 129 GLY H H 1 8.291 0.001 . . . . . . 392 G H . 26823 1 582 . 1 1 129 129 GLY C C 13 174.376 0.004 . . . . . . 392 G C . 26823 1 583 . 1 1 129 129 GLY CA C 13 45.364 0.016 . . . . . . 392 G CA . 26823 1 584 . 1 1 129 129 GLY N N 15 107.838 0.012 . . . . . . 392 G N . 26823 1 585 . 1 1 130 130 SER H H 1 8.174 0.002 . . . . . . 393 S H . 26823 1 586 . 1 1 130 130 SER C C 13 175.163 0.002 . . . . . . 393 S C . 26823 1 587 . 1 1 130 130 SER CA C 13 58.561 0.057 . . . . . . 393 S CA . 26823 1 588 . 1 1 130 130 SER CB C 13 63.972 0.032 . . . . . . 393 S CB . 26823 1 589 . 1 1 130 130 SER N N 15 115.464 0.057 . . . . . . 393 S N . 26823 1 590 . 1 1 131 131 GLY H H 1 8.459 0.002 . . . . . . 394 G H . 26823 1 591 . 1 1 131 131 GLY C C 13 174.309 0.001 . . . . . . 394 G C . 26823 1 592 . 1 1 131 131 GLY CA C 13 45.412 0.034 . . . . . . 394 G CA . 26823 1 593 . 1 1 131 131 GLY N N 15 110.853 0.049 . . . . . . 394 G N . 26823 1 594 . 1 1 132 132 SER H H 1 8.222 0.003 . . . . . . 395 S H . 26823 1 595 . 1 1 132 132 SER C C 13 175.013 0.008 . . . . . . 395 S C . 26823 1 596 . 1 1 132 132 SER CA C 13 58.615 0.084 . . . . . . 395 S CA . 26823 1 597 . 1 1 132 132 SER CB C 13 63.942 0.004 . . . . . . 395 S CB . 26823 1 598 . 1 1 132 132 SER N N 15 115.516 0.005 . . . . . . 395 S N . 26823 1 599 . 1 1 133 133 GLY H H 1 8.378 0.004 . . . . . . 396 G H . 26823 1 600 . 1 1 133 133 GLY C C 13 173.858 0.007 . . . . . . 396 G C . 26823 1 601 . 1 1 133 133 GLY CA C 13 45.283 0.073 . . . . . . 396 G CA . 26823 1 602 . 1 1 133 133 GLY N N 15 110.472 0.077 . . . . . . 396 G N . 26823 1 603 . 1 1 134 134 PHE H H 1 8.110 0.002 . . . . . . 397 F H . 26823 1 604 . 1 1 134 134 PHE C C 13 175.751 0.004 . . . . . . 397 F C . 26823 1 605 . 1 1 134 134 PHE CA C 13 57.939 0.039 . . . . . . 397 F CA . 26823 1 606 . 1 1 134 134 PHE CB C 13 39.505 0.028 . . . . . . 397 F CB . 26823 1 607 . 1 1 134 134 PHE N N 15 120.223 0.024 . . . . . . 397 F N . 26823 1 608 . 1 1 135 135 ASN H H 1 8.415 0.002 . . . . . . 398 N H . 26823 1 609 . 1 1 135 135 ASN C C 13 175.350 0.005 . . . . . . 398 N C . 26823 1 610 . 1 1 135 135 ASN CA C 13 53.066 0.035 . . . . . . 398 N CA . 26823 1 611 . 1 1 135 135 ASN CB C 13 38.794 0.020 . . . . . . 398 N CB . 26823 1 612 . 1 1 135 135 ASN N N 15 121.471 0.017 . . . . . . 398 N N . 26823 1 613 . 1 1 136 136 GLY H H 1 7.788 0.001 . . . . . . 399 G H . 26823 1 614 . 1 1 136 136 GLY C C 13 174.416 0.063 . . . . . . 399 G C . 26823 1 615 . 1 1 136 136 GLY CA C 13 45.496 0.098 . . . . . . 399 G CA . 26823 1 616 . 1 1 136 136 GLY N N 15 108.482 0.018 . . . . . . 399 G N . 26823 1 617 . 1 1 137 137 GLY H H 1 8.106 0.001 . . . . . . 400 G H . 26823 1 618 . 1 1 137 137 GLY C C 13 173.964 0.020 . . . . . . 400 G C . 26823 1 619 . 1 1 137 137 GLY CA C 13 45.098 0.090 . . . . . . 400 G CA . 26823 1 620 . 1 1 137 137 GLY N N 15 108.272 0.005 . . . . . . 400 G N . 26823 1 621 . 1 1 138 138 PHE H H 1 8.117 0.001 . . . . . . 401 F H . 26823 1 622 . 1 1 138 138 PHE C C 13 176.416 0.003 . . . . . . 401 F C . 26823 1 623 . 1 1 138 138 PHE CA C 13 58.055 0.046 . . . . . . 401 F CA . 26823 1 624 . 1 1 138 138 PHE CB C 13 39.573 0.082 . . . . . . 401 F CB . 26823 1 625 . 1 1 138 138 PHE N N 15 119.905 0.017 . . . . . . 401 F N . 26823 1 626 . 1 1 139 139 GLY H H 1 8.371 0.002 . . . . . . 402 G H . 26823 1 627 . 1 1 139 139 GLY C C 13 174.064 0.009 . . . . . . 402 G C . 26823 1 628 . 1 1 139 139 GLY CA C 13 45.378 0.020 . . . . . . 402 G CA . 26823 1 629 . 1 1 139 139 GLY N N 15 110.711 0.013 . . . . . . 402 G N . 26823 1 630 . 1 1 140 140 SER H H 1 8.173 0.002 . . . . . . 403 S H . 26823 1 631 . 1 1 140 140 SER C C 13 174.752 0.003 . . . . . . 403 S C . 26823 1 632 . 1 1 140 140 SER CA C 13 58.397 0.112 . . . . . . 403 S CA . 26823 1 633 . 1 1 140 140 SER CB C 13 64.031 0.047 . . . . . . 403 S CB . 26823 1 634 . 1 1 140 140 SER N N 15 115.498 0.042 . . . . . . 403 S N . 26823 1 635 . 1 1 141 141 SER H H 1 8.397 0.001 . . . . . . 404 S H . 26823 1 636 . 1 1 141 141 SER C C 13 174.740 0.011 . . . . . . 404 S C . 26823 1 637 . 1 1 141 141 SER CA C 13 58.640 0.071 . . . . . . 404 S CA . 26823 1 638 . 1 1 141 141 SER CB C 13 63.769 0.054 . . . . . . 404 S CB . 26823 1 639 . 1 1 141 141 SER N N 15 117.557 0.011 . . . . . . 404 S N . 26823 1 640 . 1 1 142 142 MET H H 1 8.351 0.001 . . . . . . 405 M H . 26823 1 641 . 1 1 142 142 MET C C 13 175.975 0.007 . . . . . . 405 M C . 26823 1 642 . 1 1 142 142 MET CA C 13 55.791 0.058 . . . . . . 405 M CA . 26823 1 643 . 1 1 142 142 MET CB C 13 32.640 0.045 . . . . . . 405 M CB . 26823 1 644 . 1 1 142 142 MET N N 15 121.706 0.019 . . . . . . 405 M N . 26823 1 645 . 1 1 143 143 ASP H H 1 8.200 0.001 . . . . . . 406 D H . 26823 1 646 . 1 1 143 143 ASP C C 13 176.425 0.011 . . . . . . 406 D C . 26823 1 647 . 1 1 143 143 ASP CA C 13 54.356 0.060 . . . . . . 406 D CA . 26823 1 648 . 1 1 143 143 ASP CB C 13 41.290 0.027 . . . . . . 406 D CB . 26823 1 649 . 1 1 143 143 ASP N N 15 120.945 0.018 . . . . . . 406 D N . 26823 1 650 . 1 1 144 144 SER H H 1 8.209 0.001 . . . . . . 407 S H . 26823 1 651 . 1 1 144 144 SER C C 13 174.895 0.005 . . . . . . 407 S C . 26823 1 652 . 1 1 144 144 SER CA C 13 58.968 0.090 . . . . . . 407 S CA . 26823 1 653 . 1 1 144 144 SER CB C 13 63.615 0.025 . . . . . . 407 S CB . 26823 1 654 . 1 1 144 144 SER N N 15 116.564 0.005 . . . . . . 407 S N . 26823 1 655 . 1 1 145 145 LYS H H 1 8.280 0.002 . . . . . . 408 K H . 26823 1 656 . 1 1 145 145 LYS C C 13 176.935 0.001 . . . . . . 408 K C . 26823 1 657 . 1 1 145 145 LYS CA C 13 56.568 0.025 . . . . . . 408 K CA . 26823 1 658 . 1 1 145 145 LYS CB C 13 32.625 0.015 . . . . . . 408 K CB . 26823 1 659 . 1 1 145 145 LYS N N 15 122.508 0.007 . . . . . . 408 K N . 26823 1 660 . 1 1 146 146 SER H H 1 8.173 0.001 . . . . . . 409 S H . 26823 1 661 . 1 1 146 146 SER C C 13 174.713 0.001 . . . . . . 409 S C . 26823 1 662 . 1 1 146 146 SER CA C 13 58.534 0.087 . . . . . . 409 S CA . 26823 1 663 . 1 1 146 146 SER CB C 13 63.829 0.000 . . . . . . 409 S CB . 26823 1 664 . 1 1 146 146 SER N N 15 116.070 0.020 . . . . . . 409 S N . 26823 1 665 . 1 1 147 147 SER H H 1 8.255 0.001 . . . . . . 410 S H . 26823 1 666 . 1 1 147 147 SER C C 13 174.849 0.014 . . . . . . 410 S C . 26823 1 667 . 1 1 147 147 SER CA C 13 58.772 0.075 . . . . . . 410 S CA . 26823 1 668 . 1 1 147 147 SER CB C 13 63.826 0.015 . . . . . . 410 S CB . 26823 1 669 . 1 1 147 147 SER N N 15 117.426 0.005 . . . . . . 410 S N . 26823 1 670 . 1 1 148 148 GLY H H 1 8.270 0.002 . . . . . . 411 G H . 26823 1 671 . 1 1 148 148 GLY C C 13 173.831 0.011 . . . . . . 411 G C . 26823 1 672 . 1 1 148 148 GLY CA C 13 45.352 0.012 . . . . . . 411 G CA . 26823 1 673 . 1 1 148 148 GLY N N 15 110.234 0.016 . . . . . . 411 G N . 26823 1 674 . 1 1 149 149 TRP H H 1 8.002 0.001 . . . . . . 412 W H . 26823 1 675 . 1 1 149 149 TRP C C 13 176.679 0.009 . . . . . . 412 W C . 26823 1 676 . 1 1 149 149 TRP CA C 13 57.605 0.032 . . . . . . 412 W CA . 26823 1 677 . 1 1 149 149 TRP CB C 13 29.539 0.017 . . . . . . 412 W CB . 26823 1 678 . 1 1 149 149 TRP N N 15 120.858 0.010 . . . . . . 412 W N . 26823 1 679 . 1 1 150 150 GLY H H 1 8.226 0.001 . . . . . . 413 G H . 26823 1 680 . 1 1 150 150 GLY C C 13 173.097 0.000 . . . . . . 413 G C . 26823 1 681 . 1 1 150 150 GLY CA C 13 45.504 0.010 . . . . . . 413 G CA . 26823 1 682 . 1 1 150 150 GLY N N 15 111.395 0.010 . . . . . . 413 G N . 26823 1 683 . 1 1 151 151 MET H H 1 7.635 0.002 . . . . . . 414 M H . 26823 1 684 . 1 1 151 151 MET C C 13 173.340 0.000 . . . . . . 414 M C . 26823 1 685 . 1 1 151 151 MET CA C 13 56.907 0.000 . . . . . . 414 M CA . 26823 1 686 . 1 1 151 151 MET CB C 13 33.739 0.000 . . . . . . 414 M CB . 26823 1 687 . 1 1 151 151 MET N N 15 124.562 0.012 . . . . . . 414 M N . 26823 1 stop_ save_ save_WT_TDP-43_267-414_283_K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode WT_TDP-43_267-414_283_K _Assigned_chem_shift_list.Entry_ID 26823 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $283_K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 6 '2D 1H-15N HSQC' . . . 26823 2 7 '3D HNCACB' . . . 26823 2 8 '3D CBCA(CO)NH' . . . 26823 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 4 4 ASN H H 1 8.677 0.001 . . . . . . 267 N H . 26823 2 2 . 1 1 4 4 ASN CA C 13 53.305 0.067 . . . . . . 267 N CA . 26823 2 3 . 1 1 4 4 ASN CB C 13 38.598 0.024 . . . . . . 267 N CB . 26823 2 4 . 1 1 4 4 ASN N N 15 120.920 0.011 . . . . . . 267 N N . 26823 2 5 . 1 1 5 5 ARG H H 1 8.469 0.002 . . . . . . 268 R H . 26823 2 6 . 1 1 5 5 ARG CA C 13 56.499 0.026 . . . . . . 268 R CA . 26823 2 7 . 1 1 5 5 ARG CB C 13 30.559 0.049 . . . . . . 268 R CB . 26823 2 8 . 1 1 5 5 ARG N N 15 122.124 0.007 . . . . . . 268 R N . 26823 2 9 . 1 1 6 6 GLN H H 1 8.486 0.001 . . . . . . 269 Q H . 26823 2 10 . 1 1 6 6 GLN CA C 13 56.266 0.075 . . . . . . 269 Q CA . 26823 2 11 . 1 1 6 6 GLN CB C 13 29.100 0.011 . . . . . . 269 Q CB . 26823 2 12 . 1 1 6 6 GLN N N 15 121.272 0.003 . . . . . . 269 Q N . 26823 2 13 . 1 1 7 7 LEU H H 1 8.291 0.000 . . . . . . 270 L H . 26823 2 14 . 1 1 7 7 LEU CA C 13 55.346 0.019 . . . . . . 270 L CA . 26823 2 15 . 1 1 7 7 LEU CB C 13 42.233 0.028 . . . . . . 270 L CB . 26823 2 16 . 1 1 7 7 LEU N N 15 123.077 0.013 . . . . . . 270 L N . 26823 2 17 . 1 1 8 8 GLU H H 1 8.397 0.001 . . . . . . 271 E H . 26823 2 18 . 1 1 8 8 GLU CA C 13 56.726 0.039 . . . . . . 271 E CA . 26823 2 19 . 1 1 8 8 GLU CB C 13 30.150 0.000 . . . . . . 271 E CB . 26823 2 20 . 1 1 8 8 GLU N N 15 122.001 0.017 . . . . . . 271 E N . 26823 2 21 . 1 1 9 9 ARG H H 1 8.463 0.002 . . . . . . 272 R H . 26823 2 22 . 1 1 9 9 ARG CA C 13 56.400 0.081 . . . . . . 272 R CA . 26823 2 23 . 1 1 9 9 ARG CB C 13 30.552 0.032 . . . . . . 272 R CB . 26823 2 24 . 1 1 9 9 ARG N N 15 122.123 0.017 . . . . . . 272 R N . 26823 2 25 . 1 1 10 10 SER H H 1 8.367 0.002 . . . . . . 273 S H . 26823 2 26 . 1 1 10 10 SER CA C 13 58.642 0.092 . . . . . . 273 S CA . 26823 2 27 . 1 1 10 10 SER CB C 13 63.936 0.031 . . . . . . 273 S CB . 26823 2 28 . 1 1 10 10 SER N N 15 116.530 0.015 . . . . . . 273 S N . 26823 2 29 . 1 1 11 11 GLY H H 1 8.461 0.001 . . . . . . 274 G H . 26823 2 30 . 1 1 11 11 GLY CA C 13 45.285 0.031 . . . . . . 274 G CA . 26823 2 31 . 1 1 11 11 GLY N N 15 110.627 0.020 . . . . . . 274 G N . 26823 2 32 . 1 1 12 12 ARG H H 1 8.140 0.002 . . . . . . 275 R H . 26823 2 33 . 1 1 12 12 ARG CA C 13 56.296 0.028 . . . . . . 275 R CA . 26823 2 34 . 1 1 12 12 ARG CB C 13 30.614 0.007 . . . . . . 275 R CB . 26823 2 35 . 1 1 12 12 ARG N N 15 120.454 0.009 . . . . . . 275 R N . 26823 2 36 . 1 1 13 13 PHE H H 1 8.421 0.001 . . . . . . 276 F H . 26823 2 37 . 1 1 13 13 PHE CA C 13 57.692 0.000 . . . . . . 276 F CA . 26823 2 38 . 1 1 13 13 PHE CB C 13 39.320 0.000 . . . . . . 276 F CB . 26823 2 39 . 1 1 13 13 PHE N N 15 121.051 0.008 . . . . . . 276 F N . 26823 2 40 . 1 1 14 14 GLY H H 1 8.340 0.004 . . . . . . 277 G H . 26823 2 41 . 1 1 14 14 GLY CA C 13 45.283 0.000 . . . . . . 277 G CA . 26823 2 42 . 1 1 14 14 GLY N N 15 110.915 0.026 . . . . . . 277 G N . 26823 2 43 . 1 1 15 15 GLY H H 1 7.950 0.001 . . . . . . 278 G H . 26823 2 44 . 1 1 15 15 GLY CA C 13 44.916 0.045 . . . . . . 278 G CA . 26823 2 45 . 1 1 15 15 GLY N N 15 107.863 0.003 . . . . . . 278 G N . 26823 2 46 . 1 1 16 16 ASN H H 1 8.424 0.001 . . . . . . 279 N H . 26823 2 47 . 1 1 16 16 ASN CA C 13 51.341 0.000 . . . . . . 279 N CA . 26823 2 48 . 1 1 16 16 ASN CB C 13 38.690 0.000 . . . . . . 279 N CB . 26823 2 49 . 1 1 16 16 ASN N N 15 119.085 0.009 . . . . . . 279 N N . 26823 2 50 . 1 1 17 17 PRO CA C 13 63.859 0.080 . . . . . . 280 P CA . 26823 2 51 . 1 1 17 17 PRO CB C 13 31.895 0.012 . . . . . . 280 P CB . 26823 2 52 . 1 1 18 18 GLY H H 1 8.482 0.002 . . . . . . 281 G H . 26823 2 53 . 1 1 18 18 GLY CA C 13 45.223 0.021 . . . . . . 281 G CA . 26823 2 54 . 1 1 18 18 GLY N N 15 108.860 0.012 . . . . . . 281 G N . 26823 2 55 . 1 1 19 19 GLY H H 1 8.097 0.001 . . . . . . 282 G H . 26823 2 56 . 1 1 19 19 GLY CA C 13 45.115 0.029 . . . . . . 282 G CA . 26823 2 57 . 1 1 19 19 GLY N N 15 108.246 0.013 . . . . . . 282 G N . 26823 2 58 . 1 1 20 20 PHE H H 1 8.225 0.001 . . . . . . 283 F H . 26823 2 59 . 1 1 20 20 PHE CA C 13 58.025 0.025 . . . . . . 283 F CA . 26823 2 60 . 1 1 20 20 PHE CB C 13 39.519 0.014 . . . . . . 283 F CB . 26823 2 61 . 1 1 20 20 PHE N N 15 119.812 0.026 . . . . . . 283 F N . 26823 2 62 . 1 1 21 21 GLY H H 1 8.483 0.001 . . . . . . 284 G H . 26823 2 63 . 1 1 21 21 GLY CA C 13 45.407 0.030 . . . . . . 284 G CA . 26823 2 64 . 1 1 21 21 GLY N N 15 110.447 0.004 . . . . . . 284 G N . 26823 2 65 . 1 1 22 22 ASN H H 1 8.334 0.001 . . . . . . 285 N H . 26823 2 66 . 1 1 22 22 ASN CA C 13 53.259 0.041 . . . . . . 285 N CA . 26823 2 67 . 1 1 22 22 ASN CB C 13 38.755 0.029 . . . . . . 285 N CB . 26823 2 68 . 1 1 22 22 ASN N N 15 118.811 0.000 . . . . . . 285 N N . 26823 2 69 . 1 1 23 23 GLN H H 1 8.544 0.001 . . . . . . 286 Q H . 26823 2 70 . 1 1 23 23 GLN CA C 13 55.960 0.194 . . . . . . 286 Q CA . 26823 2 71 . 1 1 23 23 GLN CB C 13 29.126 0.017 . . . . . . 286 Q CB . 26823 2 72 . 1 1 23 23 GLN N N 15 120.595 0.003 . . . . . . 286 Q N . 26823 2 73 . 1 1 24 24 GLY H H 1 8.456 0.001 . . . . . . 287 G H . 26823 2 74 . 1 1 24 24 GLY CA C 13 45.468 0.039 . . . . . . 287 G CA . 26823 2 75 . 1 1 24 24 GLY N N 15 109.508 0.000 . . . . . . 287 G N . 26823 2 76 . 1 1 25 25 GLY H H 1 8.074 0.001 . . . . . . 288 G H . 26823 2 77 . 1 1 25 25 GLY CA C 13 45.039 0.014 . . . . . . 288 G CA . 26823 2 78 . 1 1 25 25 GLY N N 15 108.150 0.017 . . . . . . 288 G N . 26823 2 79 . 1 1 26 26 PHE H H 1 8.235 0.000 . . . . . . 289 F H . 26823 2 80 . 1 1 26 26 PHE CA C 13 58.011 0.019 . . . . . . 289 F CA . 26823 2 81 . 1 1 26 26 PHE CB C 13 39.528 0.018 . . . . . . 289 F CB . 26823 2 82 . 1 1 26 26 PHE N N 15 119.754 0.001 . . . . . . 289 F N . 26823 2 83 . 1 1 27 27 GLY H H 1 8.483 0.001 . . . . . . 290 G H . 26823 2 84 . 1 1 27 27 GLY CA C 13 45.389 0.029 . . . . . . 290 G CA . 26823 2 85 . 1 1 27 27 GLY N N 15 110.441 0.024 . . . . . . 290 G N . 26823 2 86 . 1 1 28 28 ASN H H 1 8.339 0.001 . . . . . . 291 N H . 26823 2 87 . 1 1 28 28 ASN CA C 13 53.145 0.080 . . . . . . 291 N CA . 26823 2 88 . 1 1 28 28 ASN CB C 13 38.856 0.054 . . . . . . 291 N CB . 26823 2 89 . 1 1 28 28 ASN N N 15 118.679 0.015 . . . . . . 291 N N . 26823 2 90 . 1 1 29 29 SER H H 1 8.390 0.001 . . . . . . 292 S H . 26823 2 91 . 1 1 29 29 SER CA C 13 58.772 0.033 . . . . . . 292 S CA . 26823 2 92 . 1 1 29 29 SER CB C 13 63.682 0.015 . . . . . . 292 S CB . 26823 2 93 . 1 1 29 29 SER N N 15 116.321 0.016 . . . . . . 292 S N . 26823 2 94 . 1 1 30 30 ARG H H 1 8.452 0.001 . . . . . . 293 R H . 26823 2 95 . 1 1 30 30 ARG CA C 13 56.334 0.039 . . . . . . 293 R CA . 26823 2 96 . 1 1 30 30 ARG CB C 13 30.483 0.023 . . . . . . 293 R CB . 26823 2 97 . 1 1 30 30 ARG N N 15 122.574 0.012 . . . . . . 293 R N . 26823 2 98 . 1 1 31 31 GLY H H 1 8.395 0.001 . . . . . . 294 G H . 26823 2 99 . 1 1 31 31 GLY CA C 13 45.282 0.011 . . . . . . 294 G CA . 26823 2 100 . 1 1 31 31 GLY N N 15 109.585 0.013 . . . . . . 294 G N . 26823 2 101 . 1 1 32 32 GLY H H 1 8.332 0.001 . . . . . . 295 G H . 26823 2 102 . 1 1 32 32 GLY CA C 13 45.308 0.021 . . . . . . 295 G CA . 26823 2 103 . 1 1 32 32 GLY N N 15 108.710 0.008 . . . . . . 295 G N . 26823 2 104 . 1 1 33 33 GLY H H 1 8.348 0.001 . . . . . . 296 G H . 26823 2 105 . 1 1 33 33 GLY CA C 13 45.186 0.051 . . . . . . 296 G CA . 26823 2 106 . 1 1 33 33 GLY N N 15 108.635 0.012 . . . . . . 296 G N . 26823 2 107 . 1 1 34 34 ALA H H 1 8.322 0.001 . . . . . . 297 A H . 26823 2 108 . 1 1 34 34 ALA CA C 13 52.634 0.024 . . . . . . 297 A CA . 26823 2 109 . 1 1 34 34 ALA CB C 13 19.213 0.021 . . . . . . 297 A CB . 26823 2 110 . 1 1 34 34 ALA N N 15 123.691 0.006 . . . . . . 297 A N . 26823 2 111 . 1 1 35 35 GLY H H 1 8.435 0.001 . . . . . . 298 G H . 26823 2 112 . 1 1 35 35 GLY CA C 13 45.285 0.014 . . . . . . 298 G CA . 26823 2 113 . 1 1 35 35 GLY N N 15 108.106 0.009 . . . . . . 298 G N . 26823 2 114 . 1 1 36 36 LEU H H 1 8.188 0.001 . . . . . . 299 L H . 26823 2 115 . 1 1 36 36 LEU CA C 13 55.234 0.032 . . . . . . 299 L CA . 26823 2 116 . 1 1 36 36 LEU CB C 13 42.327 0.022 . . . . . . 299 L CB . 26823 2 117 . 1 1 36 36 LEU N N 15 121.312 0.007 . . . . . . 299 L N . 26823 2 118 . 1 1 37 37 GLY H H 1 8.503 0.001 . . . . . . 300 G H . 26823 2 119 . 1 1 37 37 GLY CA C 13 45.376 0.028 . . . . . . 300 G CA . 26823 2 120 . 1 1 37 37 GLY N N 15 109.288 0.031 . . . . . . 300 G N . 26823 2 121 . 1 1 38 38 ASN H H 1 8.341 0.003 . . . . . . 301 N H . 26823 2 122 . 1 1 38 38 ASN CA C 13 53.172 0.093 . . . . . . 301 N CA . 26823 2 123 . 1 1 38 38 ASN CB C 13 38.742 0.012 . . . . . . 301 N CB . 26823 2 124 . 1 1 38 38 ASN N N 15 118.665 0.015 . . . . . . 301 N N . 26823 2 125 . 1 1 39 39 ASN H H 1 8.539 0.001 . . . . . . 302 N H . 26823 2 126 . 1 1 39 39 ASN CA C 13 53.457 0.049 . . . . . . 302 N CA . 26823 2 127 . 1 1 39 39 ASN CB C 13 38.632 0.016 . . . . . . 302 N CB . 26823 2 128 . 1 1 39 39 ASN N N 15 119.113 0.005 . . . . . . 302 N N . 26823 2 129 . 1 1 40 40 GLN H H 1 8.417 0.001 . . . . . . 303 Q H . 26823 2 130 . 1 1 40 40 GLN CA C 13 56.263 0.063 . . . . . . 303 Q CA . 26823 2 131 . 1 1 40 40 GLN CB C 13 29.191 0.017 . . . . . . 303 Q CB . 26823 2 132 . 1 1 40 40 GLN N N 15 120.449 0.010 . . . . . . 303 Q N . 26823 2 133 . 1 1 41 41 GLY H H 1 8.466 0.001 . . . . . . 304 G H . 26823 2 134 . 1 1 41 41 GLY CA C 13 45.403 0.000 . . . . . . 304 G CA . 26823 2 135 . 1 1 41 41 GLY N N 15 109.631 0.034 . . . . . . 304 G N . 26823 2 136 . 1 1 42 42 SER H H 1 8.247 0.000 . . . . . . 305 S H . 26823 2 137 . 1 1 42 42 SER CA C 13 58.393 0.013 . . . . . . 305 S CA . 26823 2 138 . 1 1 42 42 SER CB C 13 63.880 0.052 . . . . . . 305 S CB . 26823 2 139 . 1 1 42 42 SER N N 15 115.627 0.000 . . . . . . 305 S N . 26823 2 140 . 1 1 43 43 ASN H H 1 8.570 0.002 . . . . . . 306 N H . 26823 2 141 . 1 1 43 43 ASN CA C 13 53.397 0.065 . . . . . . 306 N CA . 26823 2 142 . 1 1 43 43 ASN CB C 13 38.531 0.030 . . . . . . 306 N CB . 26823 2 143 . 1 1 43 43 ASN N N 15 120.571 0.033 . . . . . . 306 N N . 26823 2 144 . 1 1 44 44 MET H H 1 8.383 0.001 . . . . . . 307 M H . 26823 2 145 . 1 1 44 44 MET CA C 13 55.687 0.073 . . . . . . 307 M CA . 26823 2 146 . 1 1 44 44 MET CB C 13 32.363 0.081 . . . . . . 307 M CB . 26823 2 147 . 1 1 44 44 MET N N 15 120.382 0.010 . . . . . . 307 M N . 26823 2 148 . 1 1 45 45 GLY H H 1 8.453 0.002 . . . . . . 308 G H . 26823 2 149 . 1 1 45 45 GLY CA C 13 45.431 0.022 . . . . . . 308 G CA . 26823 2 150 . 1 1 45 45 GLY N N 15 109.696 0.009 . . . . . . 308 G N . 26823 2 151 . 1 1 46 46 GLY H H 1 8.308 0.001 . . . . . . 309 G H . 26823 2 152 . 1 1 46 46 GLY CA C 13 45.331 0.058 . . . . . . 309 G CA . 26823 2 153 . 1 1 46 46 GLY N N 15 108.693 0.008 . . . . . . 309 G N . 26823 2 154 . 1 1 47 47 GLY H H 1 8.366 0.001 . . . . . . 310 G H . 26823 2 155 . 1 1 47 47 GLY CA C 13 45.200 0.006 . . . . . . 310 G CA . 26823 2 156 . 1 1 47 47 GLY N N 15 108.865 0.010 . . . . . . 310 G N . 26823 2 157 . 1 1 48 48 MET H H 1 8.254 0.000 . . . . . . 311 M H . 26823 2 158 . 1 1 48 48 MET CA C 13 55.398 0.044 . . . . . . 311 M CA . 26823 2 159 . 1 1 48 48 MET CB C 13 32.735 0.100 . . . . . . 311 M CB . 26823 2 160 . 1 1 48 48 MET N N 15 119.427 0.006 . . . . . . 311 M N . 26823 2 161 . 1 1 49 49 ASN H H 1 8.396 0.002 . . . . . . 312 N H . 26823 2 162 . 1 1 49 49 ASN CA C 13 52.986 0.041 . . . . . . 312 N CA . 26823 2 163 . 1 1 49 49 ASN CB C 13 38.661 0.020 . . . . . . 312 N CB . 26823 2 164 . 1 1 49 49 ASN N N 15 119.472 0.015 . . . . . . 312 N N . 26823 2 165 . 1 1 50 50 PHE H H 1 8.304 0.003 . . . . . . 313 F H . 26823 2 166 . 1 1 50 50 PHE CA C 13 58.178 0.081 . . . . . . 313 F CA . 26823 2 167 . 1 1 50 50 PHE CB C 13 39.255 0.089 . . . . . . 313 F CB . 26823 2 168 . 1 1 50 50 PHE N N 15 121.044 0.015 . . . . . . 313 F N . 26823 2 169 . 1 1 51 51 GLY H H 1 8.361 0.001 . . . . . . 314 G H . 26823 2 170 . 1 1 51 51 GLY CA C 13 45.393 0.039 . . . . . . 314 G CA . 26823 2 171 . 1 1 51 51 GLY N N 15 110.050 0.010 . . . . . . 314 G N . 26823 2 172 . 1 1 52 52 ALA H H 1 8.079 0.002 . . . . . . 315 A H . 26823 2 173 . 1 1 52 52 ALA CA C 13 52.729 0.123 . . . . . . 315 A CA . 26823 2 174 . 1 1 52 52 ALA CB C 13 19.040 0.005 . . . . . . 315 A CB . 26823 2 175 . 1 1 52 52 ALA N N 15 123.667 0.012 . . . . . . 315 A N . 26823 2 176 . 1 1 53 53 PHE H H 1 8.124 0.003 . . . . . . 316 F H . 26823 2 177 . 1 1 53 53 PHE CA C 13 57.572 0.075 . . . . . . 316 F CA . 26823 2 178 . 1 1 53 53 PHE CB C 13 39.499 0.033 . . . . . . 316 F CB . 26823 2 179 . 1 1 53 53 PHE N N 15 118.364 0.028 . . . . . . 316 F N . 26823 2 180 . 1 1 54 54 SER H H 1 8.067 0.002 . . . . . . 317 S H . 26823 2 181 . 1 1 54 54 SER CA C 13 58.155 0.083 . . . . . . 317 S CA . 26823 2 182 . 1 1 54 54 SER CB C 13 63.993 0.069 . . . . . . 317 S CB . 26823 2 183 . 1 1 54 54 SER N N 15 116.798 0.014 . . . . . . 317 S N . 26823 2 184 . 1 1 55 55 ILE H H 1 8.094 0.002 . . . . . . 318 I H . 26823 2 185 . 1 1 55 55 ILE CA C 13 60.843 0.101 . . . . . . 318 I CA . 26823 2 186 . 1 1 55 55 ILE CB C 13 38.856 0.062 . . . . . . 318 I CB . 26823 2 187 . 1 1 55 55 ILE N N 15 121.574 0.025 . . . . . . 318 I N . 26823 2 188 . 1 1 56 56 ASN H H 1 8.321 0.002 . . . . . . 319 N H . 26823 2 189 . 1 1 56 56 ASN CA C 13 52.680 0.000 . . . . . . 319 N CA . 26823 2 190 . 1 1 56 56 ASN N N 15 123.675 0.027 . . . . . . 319 N N . 26823 2 191 . 1 1 57 57 PRO CA C 13 64.698 0.041 . . . . . . 320 P CA . 26823 2 192 . 1 1 57 57 PRO CB C 13 31.977 0.000 . . . . . . 320 P CB . 26823 2 193 . 1 1 58 58 ALA H H 1 8.190 0.002 . . . . . . 321 A H . 26823 2 194 . 1 1 58 58 ALA CA C 13 53.917 0.058 . . . . . . 321 A CA . 26823 2 195 . 1 1 58 58 ALA CB C 13 18.338 0.008 . . . . . . 321 A CB . 26823 2 196 . 1 1 58 58 ALA N N 15 121.384 0.041 . . . . . . 321 A N . 26823 2 197 . 1 1 59 59 MET H H 1 8.025 0.002 . . . . . . 322 M H . 26823 2 198 . 1 1 59 59 MET CA C 13 56.611 0.021 . . . . . . 322 M CA . 26823 2 199 . 1 1 59 59 MET CB C 13 32.592 0.000 . . . . . . 322 M CB . 26823 2 200 . 1 1 59 59 MET N N 15 118.550 0.030 . . . . . . 322 M N . 26823 2 201 . 1 1 60 60 MET H H 1 8.053 0.003 . . . . . . 323 M H . 26823 2 202 . 1 1 60 60 MET CA C 13 56.966 0.009 . . . . . . 323 M CA . 26823 2 203 . 1 1 60 60 MET CB C 13 32.617 0.000 . . . . . . 323 M CB . 26823 2 204 . 1 1 60 60 MET N N 15 120.604 0.031 . . . . . . 323 M N . 26823 2 205 . 1 1 61 61 ALA H H 1 8.257 0.002 . . . . . . 324 A H . 26823 2 206 . 1 1 61 61 ALA CA C 13 53.932 0.044 . . . . . . 324 A CA . 26823 2 207 . 1 1 61 61 ALA CB C 13 18.306 0.006 . . . . . . 324 A CB . 26823 2 208 . 1 1 61 61 ALA N N 15 123.412 0.014 . . . . . . 324 A N . 26823 2 209 . 1 1 62 62 ALA H H 1 8.120 0.006 . . . . . . 325 A H . 26823 2 210 . 1 1 62 62 ALA CA C 13 53.969 0.013 . . . . . . 325 A CA . 26823 2 211 . 1 1 62 62 ALA CB C 13 18.323 0.009 . . . . . . 325 A CB . 26823 2 212 . 1 1 62 62 ALA N N 15 122.190 0.028 . . . . . . 325 A N . 26823 2 213 . 1 1 63 63 ALA H H 1 8.098 0.004 . . . . . . 326 A H . 26823 2 214 . 1 1 63 63 ALA CA C 13 53.956 0.018 . . . . . . 326 A CA . 26823 2 215 . 1 1 63 63 ALA CB C 13 18.639 0.163 . . . . . . 326 A CB . 26823 2 216 . 1 1 63 63 ALA N N 15 122.164 0.016 . . . . . . 326 A N . 26823 2 217 . 1 1 64 64 GLN H H 1 8.110 0.004 . . . . . . 327 Q H . 26823 2 218 . 1 1 64 64 GLN CA C 13 57.500 0.064 . . . . . . 327 Q CA . 26823 2 219 . 1 1 64 64 GLN CB C 13 28.630 0.046 . . . . . . 327 Q CB . 26823 2 220 . 1 1 64 64 GLN N N 15 118.325 0.018 . . . . . . 327 Q N . 26823 2 221 . 1 1 65 65 ALA H H 1 8.101 0.004 . . . . . . 328 A H . 26823 2 222 . 1 1 65 65 ALA CA C 13 53.895 0.020 . . . . . . 328 A CA . 26823 2 223 . 1 1 65 65 ALA CB C 13 18.300 0.022 . . . . . . 328 A CB . 26823 2 224 . 1 1 65 65 ALA N N 15 122.998 0.045 . . . . . . 328 A N . 26823 2 225 . 1 1 66 66 ALA H H 1 7.938 0.002 . . . . . . 329 A H . 26823 2 226 . 1 1 66 66 ALA HB1 H 1 1.403 0.000 . . . . . . 329 A HB . 26823 2 227 . 1 1 66 66 ALA HB2 H 1 1.403 0.000 . . . . . . 329 A HB . 26823 2 228 . 1 1 66 66 ALA HB3 H 1 1.403 0.000 . . . . . . 329 A HB . 26823 2 229 . 1 1 66 66 ALA CA C 13 53.544 0.153 . . . . . . 329 A CA . 26823 2 230 . 1 1 66 66 ALA CB C 13 18.501 0.016 . . . . . . 329 A CB . 26823 2 231 . 1 1 66 66 ALA N N 15 121.145 0.013 . . . . . . 329 A N . 26823 2 232 . 1 1 67 67 LEU H H 1 7.851 0.004 . . . . . . 330 L H . 26823 2 233 . 1 1 67 67 LEU CA C 13 56.201 0.024 . . . . . . 330 L CA . 26823 2 234 . 1 1 67 67 LEU CB C 13 42.035 0.007 . . . . . . 330 L CB . 26823 2 235 . 1 1 67 67 LEU N N 15 119.916 0.008 . . . . . . 330 L N . 26823 2 236 . 1 1 68 68 GLN H H 1 8.075 0.002 . . . . . . 331 Q H . 26823 2 237 . 1 1 68 68 GLN CA C 13 56.662 0.033 . . . . . . 331 Q CA . 26823 2 238 . 1 1 68 68 GLN CB C 13 28.752 0.017 . . . . . . 331 Q CB . 26823 2 239 . 1 1 68 68 GLN N N 15 119.089 0.023 . . . . . . 331 Q N . 26823 2 240 . 1 1 69 69 SER H H 1 8.155 0.002 . . . . . . 332 S H . 26823 2 241 . 1 1 69 69 SER CA C 13 58.859 0.308 . . . . . . 332 S CA . 26823 2 242 . 1 1 69 69 SER CB C 13 63.710 0.162 . . . . . . 332 S CB . 26823 2 243 . 1 1 69 69 SER N N 15 115.465 0.029 . . . . . . 332 S N . 26823 2 244 . 1 1 70 70 SER H H 1 8.151 0.002 . . . . . . 333 S H . 26823 2 245 . 1 1 70 70 SER CA C 13 59.150 0.059 . . . . . . 333 S CA . 26823 2 246 . 1 1 70 70 SER CB C 13 63.523 0.006 . . . . . . 333 S CB . 26823 2 247 . 1 1 70 70 SER N N 15 117.338 0.019 . . . . . . 333 S N . 26823 2 248 . 1 1 71 71 TRP H H 1 8.080 0.004 . . . . . . 334 W H . 26823 2 249 . 1 1 71 71 TRP CA C 13 58.002 0.021 . . . . . . 334 W CA . 26823 2 250 . 1 1 71 71 TRP CB C 13 29.403 0.048 . . . . . . 334 W CB . 26823 2 251 . 1 1 71 71 TRP N N 15 122.566 0.011 . . . . . . 334 W N . 26823 2 252 . 1 1 72 72 GLY H H 1 8.232 0.003 . . . . . . 335 G H . 26823 2 253 . 1 1 72 72 GLY CA C 13 45.693 0.074 . . . . . . 335 G CA . 26823 2 254 . 1 1 72 72 GLY N N 15 109.322 0.047 . . . . . . 335 G N . 26823 2 255 . 1 1 73 73 MET H H 1 8.105 0.002 . . . . . . 336 M H . 26823 2 256 . 1 1 73 73 MET CA C 13 56.070 0.090 . . . . . . 336 M CA . 26823 2 257 . 1 1 73 73 MET CB C 13 32.481 0.203 . . . . . . 336 M CB . 26823 2 258 . 1 1 73 73 MET N N 15 119.669 0.026 . . . . . . 336 M N . 26823 2 259 . 1 1 74 74 MET H H 1 8.335 0.003 . . . . . . 337 M H . 26823 2 260 . 1 1 74 74 MET CA C 13 56.209 0.025 . . . . . . 337 M CA . 26823 2 261 . 1 1 74 74 MET CB C 13 32.281 0.094 . . . . . . 337 M CB . 26823 2 262 . 1 1 74 74 MET N N 15 119.747 0.039 . . . . . . 337 M N . 26823 2 263 . 1 1 75 75 GLY H H 1 8.315 0.002 . . . . . . 338 G H . 26823 2 264 . 1 1 75 75 GLY CA C 13 45.655 0.028 . . . . . . 338 G CA . 26823 2 265 . 1 1 75 75 GLY N N 15 109.163 0.031 . . . . . . 338 G N . 26823 2 266 . 1 1 76 76 MET H H 1 8.103 0.001 . . . . . . 339 M H . 26823 2 267 . 1 1 76 76 MET CA C 13 56.093 0.077 . . . . . . 339 M CA . 26823 2 268 . 1 1 76 76 MET CB C 13 32.676 0.013 . . . . . . 339 M CB . 26823 2 269 . 1 1 76 76 MET N N 15 119.775 0.032 . . . . . . 339 M N . 26823 2 270 . 1 1 77 77 LEU H H 1 8.240 0.002 . . . . . . 340 L H . 26823 2 271 . 1 1 77 77 LEU CA C 13 55.518 0.088 . . . . . . 340 L CA . 26823 2 272 . 1 1 77 77 LEU CB C 13 42.139 0.049 . . . . . . 340 L CB . 26823 2 273 . 1 1 77 77 LEU N N 15 122.406 0.030 . . . . . . 340 L N . 26823 2 274 . 1 1 78 78 ALA H H 1 8.285 0.009 . . . . . . 341 A H . 26823 2 275 . 1 1 78 78 ALA HB1 H 1 1.365 0.000 . . . . . . 341 A HB . 26823 2 276 . 1 1 78 78 ALA HB2 H 1 1.365 0.000 . . . . . . 341 A HB . 26823 2 277 . 1 1 78 78 ALA HB3 H 1 1.365 0.000 . . . . . . 341 A HB . 26823 2 278 . 1 1 78 78 ALA CA C 13 53.248 0.071 . . . . . . 341 A CA . 26823 2 279 . 1 1 78 78 ALA CB C 13 18.859 0.014 . . . . . . 341 A CB . 26823 2 280 . 1 1 78 78 ALA N N 15 124.174 0.035 . . . . . . 341 A N . 26823 2 281 . 1 1 79 79 SER H H 1 8.153 0.001 . . . . . . 342 S H . 26823 2 282 . 1 1 79 79 SER CA C 13 58.839 0.039 . . . . . . 342 S CA . 26823 2 283 . 1 1 79 79 SER CB C 13 63.544 0.016 . . . . . . 342 S CB . 26823 2 284 . 1 1 79 79 SER N N 15 113.847 0.010 . . . . . . 342 S N . 26823 2 285 . 1 1 80 80 GLN H H 1 8.237 0.001 . . . . . . 343 Q H . 26823 2 286 . 1 1 80 80 GLN CA C 13 56.136 0.049 . . . . . . 343 Q CA . 26823 2 287 . 1 1 80 80 GLN CB C 13 29.224 0.003 . . . . . . 343 Q CB . 26823 2 288 . 1 1 80 80 GLN N N 15 121.477 0.018 . . . . . . 343 Q N . 26823 2 289 . 1 1 81 81 GLN H H 1 8.271 0.001 . . . . . . 344 Q H . 26823 2 290 . 1 1 81 81 GLN CA C 13 56.125 0.067 . . . . . . 344 Q CA . 26823 2 291 . 1 1 81 81 GLN CB C 13 29.290 0.041 . . . . . . 344 Q CB . 26823 2 292 . 1 1 81 81 GLN N N 15 120.359 0.009 . . . . . . 344 Q N . 26823 2 293 . 1 1 82 82 ASN H H 1 8.473 0.003 . . . . . . 345 N H . 26823 2 294 . 1 1 82 82 ASN CA C 13 53.467 0.038 . . . . . . 345 N CA . 26823 2 295 . 1 1 82 82 ASN CB C 13 38.723 0.041 . . . . . . 345 N CB . 26823 2 296 . 1 1 82 82 ASN N N 15 119.328 0.022 . . . . . . 345 N N . 26823 2 297 . 1 1 83 83 GLN H H 1 8.433 0.002 . . . . . . 346 Q H . 26823 2 298 . 1 1 83 83 GLN CA C 13 56.009 0.063 . . . . . . 346 Q CA . 26823 2 299 . 1 1 83 83 GLN CB C 13 29.354 0.036 . . . . . . 346 Q CB . 26823 2 300 . 1 1 83 83 GLN N N 15 120.760 0.014 . . . . . . 346 Q N . 26823 2 301 . 1 1 84 84 SER H H 1 8.415 0.001 . . . . . . 347 S H . 26823 2 302 . 1 1 84 84 SER CA C 13 58.501 0.079 . . . . . . 347 S CA . 26823 2 303 . 1 1 84 84 SER CB C 13 64.030 0.038 . . . . . . 347 S CB . 26823 2 304 . 1 1 84 84 SER N N 15 116.749 0.007 . . . . . . 347 S N . 26823 2 305 . 1 1 85 85 GLY H H 1 8.260 0.002 . . . . . . 348 G H . 26823 2 306 . 1 1 85 85 GLY CA C 13 44.716 0.000 . . . . . . 348 G CA . 26823 2 307 . 1 1 85 85 GLY N N 15 110.554 0.020 . . . . . . 348 G N . 26823 2 308 . 1 1 86 86 PRO CA C 13 63.381 0.000 . . . . . . 349 P CA . 26823 2 309 . 1 1 86 86 PRO CB C 13 32.060 0.027 . . . . . . 349 P CB . 26823 2 310 . 1 1 87 87 SER H H 1 8.546 0.001 . . . . . . 350 S H . 26823 2 311 . 1 1 87 87 SER CA C 13 58.607 0.084 . . . . . . 350 S CA . 26823 2 312 . 1 1 87 87 SER CB C 13 63.893 0.075 . . . . . . 350 S CB . 26823 2 313 . 1 1 87 87 SER N N 15 116.032 0.005 . . . . . . 350 S N . 26823 2 314 . 1 1 88 88 GLY H H 1 8.393 0.003 . . . . . . 351 G H . 26823 2 315 . 1 1 88 88 GLY CA C 13 45.357 0.050 . . . . . . 351 G CA . 26823 2 316 . 1 1 88 88 GLY N N 15 110.499 0.009 . . . . . . 351 G N . 26823 2 317 . 1 1 89 89 ASN H H 1 8.353 0.001 . . . . . . 352 N H . 26823 2 318 . 1 1 89 89 ASN CA C 13 53.160 0.046 . . . . . . 352 N CA . 26823 2 319 . 1 1 89 89 ASN CB C 13 38.768 0.022 . . . . . . 352 N CB . 26823 2 320 . 1 1 89 89 ASN N N 15 118.548 0.019 . . . . . . 352 N N . 26823 2 321 . 1 1 90 90 ASN H H 1 8.512 0.002 . . . . . . 353 N H . 26823 2 322 . 1 1 90 90 ASN CA C 13 53.506 0.000 . . . . . . 353 N CA . 26823 2 323 . 1 1 90 90 ASN CB C 13 38.620 0.000 . . . . . . 353 N CB . 26823 2 324 . 1 1 90 90 ASN N N 15 119.164 0.014 . . . . . . 353 N N . 26823 2 325 . 1 1 91 91 GLN H H 1 8.438 0.002 . . . . . . 354 Q H . 26823 2 326 . 1 1 91 91 GLN CA C 13 56.250 0.039 . . . . . . 354 Q CA . 26823 2 327 . 1 1 91 91 GLN CB C 13 29.084 0.009 . . . . . . 354 Q CB . 26823 2 328 . 1 1 91 91 GLN N N 15 120.087 0.004 . . . . . . 354 Q N . 26823 2 329 . 1 1 92 92 ASN H H 1 8.504 0.001 . . . . . . 355 N H . 26823 2 330 . 1 1 92 92 ASN CA C 13 53.485 0.000 . . . . . . 355 N CA . 26823 2 331 . 1 1 92 92 ASN CB C 13 38.638 0.000 . . . . . . 355 N CB . 26823 2 332 . 1 1 92 92 ASN N N 15 119.088 0.013 . . . . . . 355 N N . 26823 2 333 . 1 1 93 93 GLN H H 1 8.431 0.004 . . . . . . 356 Q H . 26823 2 334 . 1 1 93 93 GLN CA C 13 56.300 0.041 . . . . . . 356 Q CA . 26823 2 335 . 1 1 93 93 GLN CB C 13 29.203 0.010 . . . . . . 356 Q CB . 26823 2 336 . 1 1 93 93 GLN N N 15 120.098 0.002 . . . . . . 356 Q N . 26823 2 337 . 1 1 94 94 GLY H H 1 8.482 0.002 . . . . . . 357 G H . 26823 2 338 . 1 1 94 94 GLY CA C 13 45.388 0.062 . . . . . . 357 G CA . 26823 2 339 . 1 1 94 94 GLY N N 15 109.393 0.026 . . . . . . 357 G N . 26823 2 340 . 1 1 95 95 ASN H H 1 8.348 0.006 . . . . . . 358 N H . 26823 2 341 . 1 1 95 95 ASN CA C 13 53.227 0.027 . . . . . . 358 N CA . 26823 2 342 . 1 1 95 95 ASN CB C 13 38.710 0.070 . . . . . . 358 N CB . 26823 2 343 . 1 1 95 95 ASN N N 15 118.601 0.051 . . . . . . 358 N N . 26823 2 344 . 1 1 96 96 MET H H 1 8.357 0.002 . . . . . . 359 M H . 26823 2 345 . 1 1 96 96 MET CA C 13 55.618 0.050 . . . . . . 359 M CA . 26823 2 346 . 1 1 96 96 MET CB C 13 32.530 0.067 . . . . . . 359 M CB . 26823 2 347 . 1 1 96 96 MET N N 15 120.485 0.006 . . . . . . 359 M N . 26823 2 348 . 1 1 97 97 GLN H H 1 8.404 0.002 . . . . . . 360 Q H . 26823 2 349 . 1 1 97 97 GLN CA C 13 55.852 0.047 . . . . . . 360 Q CA . 26823 2 350 . 1 1 97 97 GLN CB C 13 29.225 0.031 . . . . . . 360 Q CB . 26823 2 351 . 1 1 97 97 GLN N N 15 121.334 0.023 . . . . . . 360 Q N . 26823 2 352 . 1 1 98 98 ARG H H 1 8.377 0.001 . . . . . . 361 R H . 26823 2 353 . 1 1 98 98 ARG CA C 13 55.929 0.098 . . . . . . 361 R CA . 26823 2 354 . 1 1 98 98 ARG CB C 13 31.041 0.032 . . . . . . 361 R CB . 26823 2 355 . 1 1 98 98 ARG N N 15 122.555 0.023 . . . . . . 361 R N . 26823 2 356 . 1 1 99 99 GLU H H 1 8.504 0.001 . . . . . . 362 E H . 26823 2 357 . 1 1 99 99 GLU CA C 13 54.398 0.000 . . . . . . 362 E CA . 26823 2 358 . 1 1 99 99 GLU CB C 13 29.513 0.000 . . . . . . 362 E CB . 26823 2 359 . 1 1 99 99 GLU N N 15 123.370 0.022 . . . . . . 362 E N . 26823 2 360 . 1 1 100 100 PRO CA C 13 63.498 0.099 . . . . . . 363 P CA . 26823 2 361 . 1 1 100 100 PRO CB C 13 32.047 0.001 . . . . . . 363 P CB . 26823 2 362 . 1 1 101 101 ASN H H 1 8.579 0.001 . . . . . . 364 N H . 26823 2 363 . 1 1 101 101 ASN CA C 13 53.438 0.080 . . . . . . 364 N CA . 26823 2 364 . 1 1 101 101 ASN CB C 13 38.556 0.076 . . . . . . 364 N CB . 26823 2 365 . 1 1 101 101 ASN N N 15 118.040 0.010 . . . . . . 364 N N . 26823 2 366 . 1 1 102 102 GLN H H 1 8.293 0.002 . . . . . . 365 Q H . 26823 2 367 . 1 1 102 102 GLN CA C 13 55.877 0.090 . . . . . . 365 Q CA . 26823 2 368 . 1 1 102 102 GLN CB C 13 29.421 0.024 . . . . . . 365 Q CB . 26823 2 369 . 1 1 102 102 GLN N N 15 120.787 0.026 . . . . . . 365 Q N . 26823 2 370 . 1 1 103 103 ALA H H 1 8.317 0.001 . . . . . . 366 A H . 26823 2 371 . 1 1 103 103 ALA CA C 13 52.542 0.025 . . . . . . 366 A CA . 26823 2 372 . 1 1 103 103 ALA CB C 13 19.053 0.040 . . . . . . 366 A CB . 26823 2 373 . 1 1 103 103 ALA N N 15 124.967 0.018 . . . . . . 366 A N . 26823 2 374 . 1 1 104 104 PHE H H 1 8.256 0.001 . . . . . . 367 F H . 26823 2 375 . 1 1 104 104 PHE CA C 13 57.824 0.093 . . . . . . 367 F CA . 26823 2 376 . 1 1 104 104 PHE CB C 13 39.432 0.046 . . . . . . 367 F CB . 26823 2 377 . 1 1 104 104 PHE N N 15 119.583 0.009 . . . . . . 367 F N . 26823 2 378 . 1 1 105 105 GLY H H 1 8.330 0.003 . . . . . . 368 G H . 26823 2 379 . 1 1 105 105 GLY CA C 13 45.259 0.013 . . . . . . 368 G CA . 26823 2 380 . 1 1 105 105 GLY N N 15 110.900 0.014 . . . . . . 368 G N . 26823 2 381 . 1 1 106 106 SER H H 1 8.284 0.001 . . . . . . 369 S H . 26823 2 382 . 1 1 106 106 SER CA C 13 58.602 0.092 . . . . . . 369 S CA . 26823 2 383 . 1 1 106 106 SER CB C 13 63.929 0.026 . . . . . . 369 S CB . 26823 2 384 . 1 1 106 106 SER N N 15 115.626 0.005 . . . . . . 369 S N . 26823 2 385 . 1 1 107 107 GLY H H 1 8.543 0.001 . . . . . . 370 G H . 26823 2 386 . 1 1 107 107 GLY CA C 13 45.399 0.036 . . . . . . 370 G CA . 26823 2 387 . 1 1 107 107 GLY N N 15 110.767 0.000 . . . . . . 370 G N . 26823 2 388 . 1 1 108 108 ASN H H 1 8.329 0.002 . . . . . . 371 N H . 26823 2 389 . 1 1 108 108 ASN CA C 13 53.172 0.046 . . . . . . 371 N CA . 26823 2 390 . 1 1 108 108 ASN CB C 13 38.702 0.026 . . . . . . 371 N CB . 26823 2 391 . 1 1 108 108 ASN N N 15 118.516 0.001 . . . . . . 371 N N . 26823 2 392 . 1 1 109 109 ASN H H 1 8.481 0.002 . . . . . . 372 N H . 26823 2 393 . 1 1 109 109 ASN CA C 13 53.320 0.071 . . . . . . 372 N CA . 26823 2 394 . 1 1 109 109 ASN CB C 13 38.784 0.033 . . . . . . 372 N CB . 26823 2 395 . 1 1 109 109 ASN N N 15 119.354 0.004 . . . . . . 372 N N . 26823 2 396 . 1 1 110 110 SER H H 1 8.261 0.001 . . . . . . 373 S H . 26823 2 397 . 1 1 110 110 SER CA C 13 58.615 0.038 . . . . . . 373 S CA . 26823 2 398 . 1 1 110 110 SER CB C 13 63.748 0.038 . . . . . . 373 S CB . 26823 2 399 . 1 1 110 110 SER N N 15 115.803 0.013 . . . . . . 373 S N . 26823 2 400 . 1 1 111 111 TYR H H 1 8.261 0.001 . . . . . . 374 Y H . 26823 2 401 . 1 1 111 111 TYR CA C 13 58.049 0.085 . . . . . . 374 Y CA . 26823 2 402 . 1 1 111 111 TYR CB C 13 38.595 0.014 . . . . . . 374 Y CB . 26823 2 403 . 1 1 111 111 TYR N N 15 122.121 0.017 . . . . . . 374 Y N . 26823 2 404 . 1 1 112 112 SER H H 1 8.283 0.001 . . . . . . 375 S H . 26823 2 405 . 1 1 112 112 SER CA C 13 58.307 0.091 . . . . . . 375 S CA . 26823 2 406 . 1 1 112 112 SER CB C 13 63.875 0.019 . . . . . . 375 S CB . 26823 2 407 . 1 1 112 112 SER N N 15 118.053 0.010 . . . . . . 375 S N . 26823 2 408 . 1 1 113 113 GLY H H 1 7.894 0.001 . . . . . . 376 G H . 26823 2 409 . 1 1 113 113 GLY CA C 13 45.324 0.021 . . . . . . 376 G CA . 26823 2 410 . 1 1 113 113 GLY N N 15 110.480 0.012 . . . . . . 376 G N . 26823 2 411 . 1 1 114 114 SER H H 1 8.254 0.002 . . . . . . 377 S H . 26823 2 412 . 1 1 114 114 SER CA C 13 58.497 0.060 . . . . . . 377 S CA . 26823 2 413 . 1 1 114 114 SER CB C 13 63.862 0.034 . . . . . . 377 S CB . 26823 2 414 . 1 1 114 114 SER N N 15 115.377 0.002 . . . . . . 377 S N . 26823 2 415 . 1 1 115 115 ASN H H 1 8.559 0.002 . . . . . . 378 N H . 26823 2 416 . 1 1 115 115 ASN CA C 13 53.247 0.077 . . . . . . 378 N CA . 26823 2 417 . 1 1 115 115 ASN CB C 13 38.671 0.028 . . . . . . 378 N CB . 26823 2 418 . 1 1 115 115 ASN N N 15 120.864 0.023 . . . . . . 378 N N . 26823 2 419 . 1 1 116 116 SER H H 1 8.336 0.001 . . . . . . 379 S H . 26823 2 420 . 1 1 116 116 SER CA C 13 58.856 0.056 . . . . . . 379 S CA . 26823 2 421 . 1 1 116 116 SER CB C 13 63.741 0.009 . . . . . . 379 S CB . 26823 2 422 . 1 1 116 116 SER N N 15 116.171 0.014 . . . . . . 379 S N . 26823 2 423 . 1 1 117 117 GLY H H 1 8.437 0.002 . . . . . . 380 G H . 26823 2 424 . 1 1 117 117 GLY CA C 13 45.284 0.017 . . . . . . 380 G CA . 26823 2 425 . 1 1 117 117 GLY N N 15 110.859 0.007 . . . . . . 380 G N . 26823 2 426 . 1 1 118 118 ALA H H 1 8.028 0.000 . . . . . . 381 A H . 26823 2 427 . 1 1 118 118 ALA CA C 13 52.406 0.037 . . . . . . 381 A CA . 26823 2 428 . 1 1 118 118 ALA CB C 13 19.273 0.036 . . . . . . 381 A CB . 26823 2 429 . 1 1 118 118 ALA N N 15 123.569 0.006 . . . . . . 381 A N . 26823 2 430 . 1 1 119 119 ALA H H 1 8.217 0.001 . . . . . . 382 A H . 26823 2 431 . 1 1 119 119 ALA CA C 13 52.410 0.045 . . . . . . 382 A CA . 26823 2 432 . 1 1 119 119 ALA CB C 13 18.982 0.056 . . . . . . 382 A CB . 26823 2 433 . 1 1 119 119 ALA N N 15 123.170 0.006 . . . . . . 382 A N . 26823 2 434 . 1 1 120 120 ILE H H 1 8.062 0.001 . . . . . . 383 I H . 26823 2 435 . 1 1 120 120 ILE CA C 13 61.338 0.058 . . . . . . 383 I CA . 26823 2 436 . 1 1 120 120 ILE CB C 13 38.641 0.054 . . . . . . 383 I CB . 26823 2 437 . 1 1 120 120 ILE N N 15 119.801 0.008 . . . . . . 383 I N . 26823 2 438 . 1 1 121 121 GLY H H 1 8.365 0.003 . . . . . . 384 G H . 26823 2 439 . 1 1 121 121 GLY CA C 13 45.157 0.014 . . . . . . 384 G CA . 26823 2 440 . 1 1 121 121 GLY N N 15 112.521 0.009 . . . . . . 384 G N . 26823 2 441 . 1 1 122 122 TRP H H 1 8.120 0.001 . . . . . . 385 W H . 26823 2 442 . 1 1 122 122 TRP CA C 13 57.672 0.054 . . . . . . 385 W CA . 26823 2 443 . 1 1 122 122 TRP CB C 13 29.584 0.015 . . . . . . 385 W CB . 26823 2 444 . 1 1 122 122 TRP N N 15 121.334 0.010 . . . . . . 385 W N . 26823 2 445 . 1 1 123 123 GLY H H 1 8.339 0.002 . . . . . . 386 G H . 26823 2 446 . 1 1 123 123 GLY CA C 13 45.328 0.009 . . . . . . 386 G CA . 26823 2 447 . 1 1 123 123 GLY N N 15 110.915 0.019 . . . . . . 386 G N . 26823 2 448 . 1 1 124 124 SER H H 1 8.154 0.001 . . . . . . 387 S H . 26823 2 449 . 1 1 124 124 SER CA C 13 58.441 0.092 . . . . . . 387 S CA . 26823 2 450 . 1 1 124 124 SER CB C 13 63.932 0.014 . . . . . . 387 S CB . 26823 2 451 . 1 1 124 124 SER N N 15 115.700 0.012 . . . . . . 387 S N . 26823 2 452 . 1 1 125 125 ALA H H 1 8.445 0.001 . . . . . . 388 A H . 26823 2 453 . 1 1 125 125 ALA CA C 13 52.740 0.019 . . . . . . 388 A CA . 26823 2 454 . 1 1 125 125 ALA CB C 13 19.067 0.020 . . . . . . 388 A CB . 26823 2 455 . 1 1 125 125 ALA N N 15 125.794 0.011 . . . . . . 388 A N . 26823 2 456 . 1 1 126 126 SER H H 1 8.265 0.000 . . . . . . 389 S H . 26823 2 457 . 1 1 126 126 SER CA C 13 58.581 0.102 . . . . . . 389 S CA . 26823 2 458 . 1 1 126 126 SER CB C 13 63.742 0.063 . . . . . . 389 S CB . 26823 2 459 . 1 1 126 126 SER N N 15 114.570 0.010 . . . . . . 389 S N . 26823 2 460 . 1 1 127 127 ASN H H 1 8.361 0.002 . . . . . . 390 N H . 26823 2 461 . 1 1 127 127 ASN CA C 13 53.127 0.067 . . . . . . 390 N CA . 26823 2 462 . 1 1 127 127 ASN CB C 13 38.741 0.008 . . . . . . 390 N CB . 26823 2 463 . 1 1 127 127 ASN N N 15 120.607 0.016 . . . . . . 390 N N . 26823 2 464 . 1 1 128 128 ALA H H 1 8.261 0.001 . . . . . . 391 A H . 26823 2 465 . 1 1 128 128 ALA CA C 13 52.977 0.049 . . . . . . 391 A CA . 26823 2 466 . 1 1 128 128 ALA CB C 13 19.041 0.018 . . . . . . 391 A CB . 26823 2 467 . 1 1 128 128 ALA N N 15 124.110 0.011 . . . . . . 391 A N . 26823 2 468 . 1 1 129 129 GLY H H 1 8.365 0.001 . . . . . . 392 G H . 26823 2 469 . 1 1 129 129 GLY CA C 13 45.295 0.022 . . . . . . 392 G CA . 26823 2 470 . 1 1 129 129 GLY N N 15 107.975 0.006 . . . . . . 392 G N . 26823 2 471 . 1 1 130 130 SER H H 1 8.255 0.002 . . . . . . 393 S H . 26823 2 472 . 1 1 130 130 SER CA C 13 58.578 0.071 . . . . . . 393 S CA . 26823 2 473 . 1 1 130 130 SER CB C 13 63.907 0.031 . . . . . . 393 S CB . 26823 2 474 . 1 1 130 130 SER N N 15 115.505 0.014 . . . . . . 393 S N . 26823 2 475 . 1 1 131 131 GLY H H 1 8.540 0.001 . . . . . . 394 G H . 26823 2 476 . 1 1 131 131 GLY CA C 13 45.359 0.022 . . . . . . 394 G CA . 26823 2 477 . 1 1 131 131 GLY N N 15 111.055 0.000 . . . . . . 394 G N . 26823 2 478 . 1 1 132 132 SER H H 1 8.306 0.001 . . . . . . 395 S H . 26823 2 479 . 1 1 132 132 SER CA C 13 58.629 0.112 . . . . . . 395 S CA . 26823 2 480 . 1 1 132 132 SER CB C 13 63.925 0.026 . . . . . . 395 S CB . 26823 2 481 . 1 1 132 132 SER N N 15 115.654 0.004 . . . . . . 395 S N . 26823 2 482 . 1 1 133 133 GLY H H 1 8.461 0.001 . . . . . . 396 G H . 26823 2 483 . 1 1 133 133 GLY CA C 13 45.158 0.060 . . . . . . 396 G CA . 26823 2 484 . 1 1 133 133 GLY N N 15 110.627 0.024 . . . . . . 396 G N . 26823 2 485 . 1 1 134 134 PHE H H 1 8.188 0.001 . . . . . . 397 F H . 26823 2 486 . 1 1 134 134 PHE CA C 13 57.993 0.037 . . . . . . 397 F CA . 26823 2 487 . 1 1 134 134 PHE CB C 13 39.514 0.011 . . . . . . 397 F CB . 26823 2 488 . 1 1 134 134 PHE N N 15 120.357 0.019 . . . . . . 397 F N . 26823 2 489 . 1 1 135 135 ASN H H 1 8.510 0.001 . . . . . . 398 N H . 26823 2 490 . 1 1 135 135 ASN CA C 13 52.989 0.061 . . . . . . 398 N CA . 26823 2 491 . 1 1 135 135 ASN CB C 13 38.716 0.040 . . . . . . 398 N CB . 26823 2 492 . 1 1 135 135 ASN N N 15 121.697 0.006 . . . . . . 398 N N . 26823 2 493 . 1 1 136 136 GLY H H 1 7.845 0.001 . . . . . . 399 G H . 26823 2 494 . 1 1 136 136 GLY CA C 13 45.460 0.109 . . . . . . 399 G CA . 26823 2 495 . 1 1 136 136 GLY N N 15 108.512 0.024 . . . . . . 399 G N . 26823 2 496 . 1 1 137 137 GLY H H 1 8.173 0.001 . . . . . . 400 G H . 26823 2 497 . 1 1 137 137 GLY CA C 13 45.019 0.085 . . . . . . 400 G CA . 26823 2 498 . 1 1 137 137 GLY N N 15 108.362 0.012 . . . . . . 400 G N . 26823 2 499 . 1 1 138 138 PHE H H 1 8.199 0.002 . . . . . . 401 F H . 26823 2 500 . 1 1 138 138 PHE CA C 13 58.095 0.022 . . . . . . 401 F CA . 26823 2 501 . 1 1 138 138 PHE CB C 13 39.508 0.026 . . . . . . 401 F CB . 26823 2 502 . 1 1 138 138 PHE N N 15 120.016 0.007 . . . . . . 401 F N . 26823 2 503 . 1 1 139 139 GLY H H 1 8.457 0.001 . . . . . . 402 G H . 26823 2 504 . 1 1 139 139 GLY CA C 13 45.273 0.004 . . . . . . 402 G CA . 26823 2 505 . 1 1 139 139 GLY N N 15 110.928 0.022 . . . . . . 402 G N . 26823 2 506 . 1 1 140 140 SER H H 1 8.249 0.001 . . . . . . 403 S H . 26823 2 507 . 1 1 140 140 SER CA C 13 58.400 0.150 . . . . . . 403 S CA . 26823 2 508 . 1 1 140 140 SER CB C 13 64.020 0.070 . . . . . . 403 S CB . 26823 2 509 . 1 1 140 140 SER N N 15 115.600 0.027 . . . . . . 403 S N . 26823 2 510 . 1 1 141 141 SER H H 1 8.488 0.000 . . . . . . 404 S H . 26823 2 511 . 1 1 141 141 SER CA C 13 58.660 0.039 . . . . . . 404 S CA . 26823 2 512 . 1 1 141 141 SER CB C 13 63.700 0.055 . . . . . . 404 S CB . 26823 2 513 . 1 1 141 141 SER N N 15 117.762 0.004 . . . . . . 404 S N . 26823 2 514 . 1 1 142 142 MET H H 1 8.424 0.002 . . . . . . 405 M H . 26823 2 515 . 1 1 142 142 MET CA C 13 55.745 0.086 . . . . . . 405 M CA . 26823 2 516 . 1 1 142 142 MET CB C 13 32.513 0.064 . . . . . . 405 M CB . 26823 2 517 . 1 1 142 142 MET N N 15 121.820 0.010 . . . . . . 405 M N . 26823 2 518 . 1 1 143 143 ASP H H 1 8.252 0.001 . . . . . . 406 D H . 26823 2 519 . 1 1 143 143 ASP CA C 13 54.349 0.073 . . . . . . 406 D CA . 26823 2 520 . 1 1 143 143 ASP CB C 13 41.152 0.037 . . . . . . 406 D CB . 26823 2 521 . 1 1 143 143 ASP N N 15 121.065 0.006 . . . . . . 406 D N . 26823 2 522 . 1 1 144 144 SER H H 1 8.278 0.001 . . . . . . 407 S H . 26823 2 523 . 1 1 144 144 SER CA C 13 58.956 0.045 . . . . . . 407 S CA . 26823 2 524 . 1 1 144 144 SER CB C 13 63.513 0.022 . . . . . . 407 S CB . 26823 2 525 . 1 1 144 144 SER N N 15 116.766 0.008 . . . . . . 407 S N . 26823 2 526 . 1 1 145 145 LYS H H 1 8.348 0.001 . . . . . . 408 K H . 26823 2 527 . 1 1 145 145 LYS CA C 13 56.563 0.028 . . . . . . 408 K CA . 26823 2 528 . 1 1 145 145 LYS CB C 13 32.564 0.023 . . . . . . 408 K CB . 26823 2 529 . 1 1 145 145 LYS N N 15 122.611 0.025 . . . . . . 408 K N . 26823 2 530 . 1 1 146 146 SER H H 1 8.235 0.001 . . . . . . 409 S H . 26823 2 531 . 1 1 146 146 SER CA C 13 58.526 0.064 . . . . . . 409 S CA . 26823 2 532 . 1 1 146 146 SER CB C 13 63.796 0.029 . . . . . . 409 S CB . 26823 2 533 . 1 1 146 146 SER N N 15 116.248 0.014 . . . . . . 409 S N . 26823 2 534 . 1 1 147 147 SER H H 1 8.348 0.001 . . . . . . 410 S H . 26823 2 535 . 1 1 147 147 SER CA C 13 58.789 0.032 . . . . . . 410 S CA . 26823 2 536 . 1 1 147 147 SER CB C 13 63.742 0.023 . . . . . . 410 S CB . 26823 2 537 . 1 1 147 147 SER N N 15 117.674 0.004 . . . . . . 410 S N . 26823 2 538 . 1 1 148 148 GLY H H 1 8.351 0.002 . . . . . . 411 G H . 26823 2 539 . 1 1 148 148 GLY CA C 13 45.268 0.020 . . . . . . 411 G CA . 26823 2 540 . 1 1 148 148 GLY N N 15 110.412 0.015 . . . . . . 411 G N . 26823 2 541 . 1 1 149 149 TRP H H 1 8.065 0.001 . . . . . . 412 W H . 26823 2 542 . 1 1 149 149 TRP CA C 13 57.714 0.040 . . . . . . 412 W CA . 26823 2 543 . 1 1 149 149 TRP CB C 13 29.470 0.005 . . . . . . 412 W CB . 26823 2 544 . 1 1 149 149 TRP N N 15 121.047 0.011 . . . . . . 412 W N . 26823 2 545 . 1 1 150 150 GLY H H 1 8.305 0.001 . . . . . . 413 G H . 26823 2 546 . 1 1 150 150 GLY CA C 13 45.436 0.020 . . . . . . 413 G CA . 26823 2 547 . 1 1 150 150 GLY N N 15 111.722 0.020 . . . . . . 413 G N . 26823 2 548 . 1 1 151 151 MET H H 1 7.696 0.003 . . . . . . 414 M H . 26823 2 549 . 1 1 151 151 MET CA C 13 56.779 0.000 . . . . . . 414 M CA . 26823 2 550 . 1 1 151 151 MET CB C 13 33.554 0.000 . . . . . . 414 M CB . 26823 2 551 . 1 1 151 151 MET N N 15 124.542 0.007 . . . . . . 414 M N . 26823 2 stop_ save_ ######################## # Coupling constants # ######################## save_WT_TDP-43_267-414_3JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode WT_TDP-43_267-414_3JHNHA _Coupling_constant_list.Entry_ID 26823 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $283_K _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 9 hnhagp3d . . . 26823 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 ASN HN H 1 . . 1 1 4 4 ASN HA H 1 . 6.738680695295079 . . 0.323965482474291 . . . 267 ASN HN . 267 ASN HA . 26823 1 2 3JHNHA . 1 1 6 6 GLN HN H 1 . . 1 1 6 6 GLN HA H 1 . 6.232835536425143 . . 0.14588656130236544 . . . 269 GLN HN . 269 GLN HA . 26823 1 3 3JHNHA . 1 1 7 7 LEU HN H 1 . . 1 1 7 7 LEU HA H 1 . 5.959418397714929 . . 0.1365240939780632 . . . 270 LEU HN . 270 LEU HA . 26823 1 4 3JHNHA . 1 1 8 8 GLU HN H 1 . . 1 1 8 8 GLU HA H 1 . 5.836791379204779 . . 0.13871824720965265 . . . 271 GLU HN . 271 GLU HA . 26823 1 5 3JHNHA . 1 1 9 9 ARG HN H 1 . . 1 1 9 9 ARG HA H 1 . 6.041617027482297 . . 0.1248027286614759 . . . 272 ARG HN . 272 ARG HA . 26823 1 6 3JHNHA . 1 1 10 10 SER HN H 1 . . 1 1 10 10 SER HA H 1 . 6.297896872862946 . . 0.19804676686144518 . . . 273 SER HN . 273 SER HA . 26823 1 7 3JHNHA . 1 1 12 12 ARG HN H 1 . . 1 1 12 12 ARG HA H 1 . 5.777744677037054 . . 0.2496687795949919 . . . 275 ARG HN . 275 ARG HA . 26823 1 8 3JHNHA . 1 1 13 13 PHE HN H 1 . . 1 1 13 13 PHE HA H 1 . 6.092331589727809 . . 0.17208266660638483 . . . 276 PHE HN . 276 PHE HA . 26823 1 9 3JHNHA . 1 1 15 15 GLY HN H 1 . . 1 1 15 15 GLY HA H 1 . 6.0367819479179445 . . 0.18145006201121028 . . . 278 GLY HN . 278 GLY HA . 26823 1 10 3JHNHA . 1 1 16 16 ASN HN H 1 . . 1 1 16 16 ASN HA H 1 . 6.883785251331518 . . 0.20606991529258156 . . . 279 ASN HN . 279 ASN HA . 26823 1 11 3JHNHA . 1 1 18 18 GLY HN H 1 . . 1 1 18 18 GLY HA H 1 . 6.63035596312576 . . 0.19342846937687064 . . . 281 GLY HN . 281 GLY HA . 26823 1 12 3JHNHA . 1 1 19 19 GLY HN H 1 . . 1 1 19 19 GLY HA H 1 . 6.906270454474759 . . 0.09802213542972815 . . . 282 GLY HN . 282 GLY HA . 26823 1 13 3JHNHA . 1 1 20 20 PHE HN H 1 . . 1 1 20 20 PHE HA H 1 . 6.69133762210868 . . 0.07359144828202524 . . . 283 PHE HN . 283 PHE HA . 26823 1 14 3JHNHA . 1 1 23 23 GLN HN H 1 . . 1 1 23 23 GLN HA H 1 . 6.1208519076572365 . . 0.16352490091303995 . . . 286 GLN HN . 286 GLN HA . 26823 1 15 3JHNHA . 1 1 24 24 GLY HN H 1 . . 1 1 24 24 GLY HA H 1 . 6.7370501386801696 . . 0.06571578124583777 . . . 287 GLY HN . 287 GLY HA . 26823 1 16 3JHNHA . 1 1 25 25 GLY HN H 1 . . 1 1 25 25 GLY HA H 1 . 6.906270454474759 . . 0.09802213542972815 . . . 288 GLY HN . 288 GLY HA . 26823 1 17 3JHNHA . 1 1 26 26 PHE HN H 1 . . 1 1 26 26 PHE HA H 1 . 6.69133762210868 . . 0.07359144828202524 . . . 289 PHE HN . 289 PHE HA . 26823 1 18 3JHNHA . 1 1 29 29 SER HN H 1 . . 1 1 29 29 SER HA H 1 . 6.334797302768379 . . 0.21614053146117485 . . . 292 SER HN . 292 SER HA . 26823 1 19 3JHNHA . 1 1 30 30 ARG HN H 1 . . 1 1 30 30 ARG HA H 1 . 6.449842294140592 . . 0.21434264734393516 . . . 293 ARG HN . 293 ARG HA . 26823 1 20 3JHNHA . 1 1 31 31 GLY HN H 1 . . 1 1 31 31 GLY HA H 1 . 6.5769851298230515 . . 0.19464171152347376 . . . 294 GLY HN . 294 GLY HA . 26823 1 21 3JHNHA . 1 1 32 32 GLY HN H 1 . . 1 1 32 32 GLY HA H 1 . 6.9520276908093965 . . 0.07935935436477237 . . . 295 GLY HN . 295 GLY HA . 26823 1 22 3JHNHA . 1 1 33 33 GLY HN H 1 . . 1 1 33 33 GLY HA H 1 . 6.9520276908093965 . . 0.07935935436477237 . . . 296 GLY HN . 296 GLY HA . 26823 1 23 3JHNHA . 1 1 35 35 GLY HN H 1 . . 1 1 35 35 GLY HA H 1 . 6.215716075977772 . . 0.12685896598185753 . . . 298 GLY HN . 298 GLY HA . 26823 1 24 3JHNHA . 1 1 37 37 GLY HN H 1 . . 1 1 37 37 GLY HA H 1 . 6.8485518608867615 . . 0.08804087987032894 . . . 300 GLY HN . 300 GLY HA . 26823 1 25 3JHNHA . 1 1 39 39 ASN HN H 1 . . 1 1 39 39 ASN HA H 1 . 7.189224368201021 . . 0.14901087615020714 . . . 302 ASN HN . 302 ASN HA . 26823 1 26 3JHNHA . 1 1 40 40 GLN HN H 1 . . 1 1 40 40 GLN HA H 1 . 6.249841050161914 . . 0.1265713343268562 . . . 303 GLN HN . 303 GLN HA . 26823 1 27 3JHNHA . 1 1 43 43 ASN HN H 1 . . 1 1 43 43 ASN HA H 1 . 6.779557744126025 . . 0.17065361308391402 . . . 306 ASN HN . 306 ASN HA . 26823 1 28 3JHNHA . 1 1 44 44 MET HN H 1 . . 1 1 44 44 MET HA H 1 . 6.671065801703927 . . 0.13128103771594368 . . . 307 MET HN . 307 MET HA . 26823 1 29 3JHNHA . 1 1 46 46 GLY HN H 1 . . 1 1 46 46 GLY HA H 1 . 7.302589758711017 . . 0.0984228036404291 . . . 309 GLY HN . 309 GLY HA . 26823 1 30 3JHNHA . 1 1 47 47 GLY HN H 1 . . 1 1 47 47 GLY HA H 1 . 6.995971643996182 . . 0.08601632272852822 . . . 310 GLY HN . 310 GLY HA . 26823 1 31 3JHNHA . 1 1 49 49 ASN HN H 1 . . 1 1 49 49 ASN HA H 1 . 7.417389367112703 . . 0.15965996795213577 . . . 312 ASN HN . 312 ASN HA . 26823 1 32 3JHNHA . 1 1 50 50 PHE HN H 1 . . 1 1 50 50 PHE HA H 1 . 5.301233620078299 . . 0.15841657640125284 . . . 313 PHE HN . 313 PHE HA . 26823 1 33 3JHNHA . 1 1 51 51 GLY HN H 1 . . 1 1 51 51 GLY HA H 1 . 6.174367124709805 . . 0.21763925993470767 . . . 314 GLY HN . 314 GLY HA . 26823 1 34 3JHNHA . 1 1 52 52 ALA HN H 1 . . 1 1 52 52 ALA HA H 1 . 4.921762223905936 . . 0.20788280746785137 . . . 315 ALA HN . 315 ALA HA . 26823 1 35 3JHNHA . 1 1 54 54 SER HN H 1 . . 1 1 54 54 SER HA H 1 . 6.2600995245816105 . . 0.20689259438930474 . . . 317 SER HN . 317 SER HA . 26823 1 36 3JHNHA . 1 1 55 55 ILE HN H 1 . . 1 1 55 55 ILE HA H 1 . 6.4561340663348465 . . 0.23913350645808684 . . . 318 ILE HN . 318 ILE HA . 26823 1 37 3JHNHA . 1 1 59 59 MET HN H 1 . . 1 1 59 59 MET HA H 1 . 6.275939099574368 . . 0.25847548605423576 . . . 322 MET HN . 322 MET HA . 26823 1 38 3JHNHA . 1 1 60 60 MET HN H 1 . . 1 1 60 60 MET HA H 1 . 5.607202191228632 . . 0.3805230566014801 . . . 323 MET HN . 323 MET HA . 26823 1 39 3JHNHA . 1 1 61 61 ALA HN H 1 . . 1 1 61 61 ALA HA H 1 . 4.412897492910162 . . 0.34908369177263054 . . . 324 ALA HN . 324 ALA HA . 26823 1 40 3JHNHA . 1 1 62 62 ALA HN H 1 . . 1 1 62 62 ALA HA H 1 . 4.115647954693262 . . 0.34956733757594627 . . . 325 ALA HN . 325 ALA HA . 26823 1 41 3JHNHA . 1 1 63 63 ALA HN H 1 . . 1 1 63 63 ALA HA H 1 . 4.350546118698568 . . 0.3062274798701443 . . . 326 ALA HN . 326 ALA HA . 26823 1 42 3JHNHA . 1 1 65 65 ALA HN H 1 . . 1 1 65 65 ALA HA H 1 . 4.019334901390134 . . 0.43370019382112623 . . . 328 ALA HN . 328 ALA HA . 26823 1 43 3JHNHA . 1 1 66 66 ALA HN H 1 . . 1 1 66 66 ALA HA H 1 . 4.3636424139443815 . . 0.35845083331563465 . . . 329 ALA HN . 329 ALA HA . 26823 1 44 3JHNHA . 1 1 67 67 LEU HN H 1 . . 1 1 67 67 LEU HA H 1 . 5.227007116454231 . . 0.38707867991877176 . . . 330 LEU HN . 330 LEU HA . 26823 1 45 3JHNHA . 1 1 68 68 GLN HN H 1 . . 1 1 68 68 GLN HA H 1 . 5.371061986502133 . . 0.32730328539183073 . . . 331 GLN HN . 331 GLN HA . 26823 1 46 3JHNHA . 1 1 69 69 SER HN H 1 . . 1 1 69 69 SER HA H 1 . 6.056789264387468 . . 0.11652852334467934 . . . 332 SER HN . 332 SER HA . 26823 1 47 3JHNHA . 1 1 70 70 SER HN H 1 . . 1 1 70 70 SER HA H 1 . 6.068515975763524 . . 0.37975057075008234 . . . 333 SER HN . 333 SER HA . 26823 1 48 3JHNHA . 1 1 71 71 TRP HN H 1 . . 1 1 71 71 TRP HA H 1 . 5.599661801644494 . . 0.3227834847541846 . . . 334 TRP HN . 334 TRP HA . 26823 1 49 3JHNHA . 1 1 72 72 GLY HN H 1 . . 1 1 72 72 GLY HA H 1 . 6.186228623164322 . . 0.31590200968318705 . . . 335 GLY HN . 335 GLY HA . 26823 1 50 3JHNHA . 1 1 74 74 MET HN H 1 . . 1 1 74 74 MET HA H 1 . 5.67355353996234 . . 0.2528537956911334 . . . 337 MET HN . 337 MET HA . 26823 1 51 3JHNHA . 1 1 75 75 GLY HN H 1 . . 1 1 75 75 GLY HA H 1 . 6.497181488744955 . . 0.27596190304578183 . . . 338 GLY HN . 338 GLY HA . 26823 1 52 3JHNHA . 1 1 77 77 LEU HN H 1 . . 1 1 77 77 LEU HA H 1 . 5.553501412564796 . . 0.21645942853424227 . . . 340 LEU HN . 340 LEU HA . 26823 1 53 3JHNHA . 1 1 78 78 ALA HN H 1 . . 1 1 78 78 ALA HA H 1 . 4.906482985812706 . . 0.19131474820292915 . . . 341 ALA HN . 341 ALA HA . 26823 1 54 3JHNHA . 1 1 79 79 SER HN H 1 . . 1 1 79 79 SER HA H 1 . 5.500154288702432 . . 0.17742588452289265 . . . 342 SER HN . 342 SER HA . 26823 1 55 3JHNHA . 1 1 80 80 GLN HN H 1 . . 1 1 80 80 GLN HA H 1 . 6.43782041182689 . . 0.18726546150476775 . . . 343 GLN HN . 343 GLN HA . 26823 1 56 3JHNHA . 1 1 81 81 GLN HN H 1 . . 1 1 81 81 GLN HA H 1 . 5.9190122066685475 . . 0.17331555723756953 . . . 344 GLN HN . 344 GLN HA . 26823 1 57 3JHNHA . 1 1 83 83 GLN HN H 1 . . 1 1 83 83 GLN HA H 1 . 6.043385361352049 . . 0.13597761437138622 . . . 346 GLN HN . 346 GLN HA . 26823 1 58 3JHNHA . 1 1 84 84 SER HN H 1 . . 1 1 84 84 SER HA H 1 . 6.689061278393214 . . 0.13918550845759636 . . . 347 SER HN . 347 SER HA . 26823 1 59 3JHNHA . 1 1 85 85 GLY HN H 1 . . 1 1 85 85 GLY HA H 1 . 6.241760261748357 . . 0.11155493683227835 . . . 348 GLY HN . 348 GLY HA . 26823 1 60 3JHNHA . 1 1 87 87 SER HN H 1 . . 1 1 87 87 SER HA H 1 . 6.479810289580052 . . 0.14862765134414424 . . . 350 SER HN . 350 SER HA . 26823 1 61 3JHNHA . 1 1 88 88 GLY HN H 1 . . 1 1 88 88 GLY HA H 1 . 6.68519552267811 . . 0.15224424554120208 . . . 351 GLY HN . 351 GLY HA . 26823 1 62 3JHNHA . 1 1 94 94 GLY HN H 1 . . 1 1 94 94 GLY HA H 1 . 6.8398988890720105 . . 0.0891262222477458 . . . 357 GLY HN . 357 GLY HA . 26823 1 63 3JHNHA . 1 1 97 97 GLN HN H 1 . . 1 1 97 97 GLN HA H 1 . 6.1123772876630404 . . 0.13292916944547883 . . . 360 GLN HN . 360 GLN HA . 26823 1 64 3JHNHA . 1 1 98 98 ARG HN H 1 . . 1 1 98 98 ARG HA H 1 . 6.611212376153457 . . 0.13999114173438887 . . . 361 ARG HN . 361 ARG HA . 26823 1 65 3JHNHA . 1 1 99 99 GLU HN H 1 . . 1 1 99 99 GLU HA H 1 . 5.631160602792137 . . 0.17613215173197982 . . . 362 GLU HN . 362 GLU HA . 26823 1 66 3JHNHA . 1 1 101 101 ASN HN H 1 . . 1 1 101 101 ASN HA H 1 . 6.414709126437652 . . 0.16045192919942153 . . . 364 ASN HN . 364 ASN HA . 26823 1 67 3JHNHA . 1 1 102 102 GLN HN H 1 . . 1 1 102 102 GLN HA H 1 . 5.561297995290166 . . 0.15007190209319798 . . . 365 GLN HN . 365 GLN HA . 26823 1 68 3JHNHA . 1 1 103 103 ALA HN H 1 . . 1 1 103 103 ALA HA H 1 . 5.408431493141168 . . 0.1501816678510659 . . . 366 ALA HN . 366 ALA HA . 26823 1 69 3JHNHA . 1 1 107 107 GLY HN H 1 . . 1 1 107 107 GLY HA H 1 . 6.799661775045777 . . 0.13549410680126872 . . . 370 GLY HN . 370 GLY HA . 26823 1 70 3JHNHA . 1 1 111 111 TYR HN H 1 . . 1 1 111 111 TYR HA H 1 . 6.5919873847598 . . 0.14817558573732992 . . . 374 TYR HN . 374 TYR HA . 26823 1 71 3JHNHA . 1 1 112 112 SER HN H 1 . . 1 1 112 112 SER HA H 1 . 6.376923904911911 . . 0.1728399283984583 . . . 375 SER HN . 375 SER HA . 26823 1 72 3JHNHA . 1 1 113 113 GLY HN H 1 . . 1 1 113 113 GLY HA H 1 . 5.622465541695763 . . 0.22536496695657693 . . . 376 GLY HN . 376 GLY HA . 26823 1 73 3JHNHA . 1 1 115 115 ASN HN H 1 . . 1 1 115 115 ASN HA H 1 . 6.415771889578592 . . 0.1903233509805773 . . . 378 ASN HN . 378 ASN HA . 26823 1 74 3JHNHA . 1 1 116 116 SER HN H 1 . . 1 1 116 116 SER HA H 1 . 6.1170229144892145 . . 0.18371052094616402 . . . 379 SER HN . 379 SER HA . 26823 1 75 3JHNHA . 1 1 118 118 ALA HN H 1 . . 1 1 118 118 ALA HA H 1 . 5.2671620553985825 . . 0.1255126895438039 . . . 381 ALA HN . 381 ALA HA . 26823 1 76 3JHNHA . 1 1 119 119 ALA HN H 1 . . 1 1 119 119 ALA HA H 1 . 5.207894602663525 . . 0.1200977490825057 . . . 382 ALA HN . 382 ALA HA . 26823 1 77 3JHNHA . 1 1 120 120 ILE HN H 1 . . 1 1 120 120 ILE HA H 1 . 6.147719472820888 . . 0.11498607414195039 . . . 383 ILE HN . 383 ILE HA . 26823 1 78 3JHNHA . 1 1 121 121 GLY HN H 1 . . 1 1 121 121 GLY HA H 1 . 6.373836391952245 . . 0.1503362213287467 . . . 384 GLY HN . 384 GLY HA . 26823 1 79 3JHNHA . 1 1 122 122 TRP HN H 1 . . 1 1 122 122 TRP HA H 1 . 6.26385847919089 . . 0.13618163451798093 . . . 385 TRP HN . 385 TRP HA . 26823 1 80 3JHNHA . 1 1 124 124 SER HN H 1 . . 1 1 124 124 SER HA H 1 . 7.16221539914492 . . 0.15094817766602908 . . . 387 SER HN . 387 SER HA . 26823 1 81 3JHNHA . 1 1 125 125 ALA HN H 1 . . 1 1 125 125 ALA HA H 1 . 5.330540588262757 . . 0.16587280123154802 . . . 388 ALA HN . 388 ALA HA . 26823 1 82 3JHNHA . 1 1 126 126 SER HN H 1 . . 1 1 126 126 SER HA H 1 . 6.182006110913993 . . 0.1344728442610954 . . . 389 SER HN . 389 SER HA . 26823 1 83 3JHNHA . 1 1 128 128 ALA HN H 1 . . 1 1 128 128 ALA HA H 1 . 5.164719749556014 . . 0.14332776041280226 . . . 391 ALA HN . 391 ALA HA . 26823 1 84 3JHNHA . 1 1 129 129 GLY HN H 1 . . 1 1 129 129 GLY HA H 1 . 6.364516408139793 . . 0.13152691021446117 . . . 392 GLY HN . 392 GLY HA . 26823 1 85 3JHNHA . 1 1 131 131 GLY HN H 1 . . 1 1 131 131 GLY HA H 1 . 6.59968429364606 . . 0.10748638669359067 . . . 394 GLY HN . 394 GLY HA . 26823 1 86 3JHNHA . 1 1 134 134 PHE HN H 1 . . 1 1 134 134 PHE HA H 1 . 6.444766145190015 . . 0.120013528474189 . . . 397 PHE HN . 397 PHE HA . 26823 1 87 3JHNHA . 1 1 135 135 ASN HN H 1 . . 1 1 135 135 ASN HA H 1 . 7.084598729265385 . . 0.15348315865375906 . . . 398 ASN HN . 398 ASN HA . 26823 1 88 3JHNHA . 1 1 136 136 GLY HN H 1 . . 1 1 136 136 GLY HA H 1 . 5.9661339756692735 . . 0.1783213749509862 . . . 399 GLY HN . 399 GLY HA . 26823 1 89 3JHNHA . 1 1 137 137 GLY HN H 1 . . 1 1 137 137 GLY HA H 1 . 6.336188455395706 . . 0.15022289675517797 . . . 400 GLY HN . 400 GLY HA . 26823 1 90 3JHNHA . 1 1 138 138 PHE HN H 1 . . 1 1 138 138 PHE HA H 1 . 6.628161025277162 . . 0.10670611279254683 . . . 401 PHE HN . 401 PHE HA . 26823 1 91 3JHNHA . 1 1 141 141 SER HN H 1 . . 1 1 141 141 SER HA H 1 . 6.214430891014504 . . 0.1777946954190961 . . . 404 SER HN . 404 SER HA . 26823 1 92 3JHNHA . 1 1 142 142 MET HN H 1 . . 1 1 142 142 MET HA H 1 . 6.236588723527479 . . 0.1346776205474285 . . . 405 MET HN . 405 MET HA . 26823 1 93 3JHNHA . 1 1 143 143 ASP HN H 1 . . 1 1 143 143 ASP HA H 1 . 6.461672571151699 . . 0.11615816155780312 . . . 406 ASP HN . 406 ASP HA . 26823 1 94 3JHNHA . 1 1 144 144 SER HN H 1 . . 1 1 144 144 SER HA H 1 . 5.547445564308838 . . 0.15264450073779745 . . . 407 SER HN . 407 SER HA . 26823 1 95 3JHNHA . 1 1 145 145 LYS HN H 1 . . 1 1 145 145 LYS HA H 1 . 6.5097109846122745 . . 0.11932171455031249 . . . 408 LYS HN . 408 LYS HA . 26823 1 96 3JHNHA . 1 1 146 146 SER HN H 1 . . 1 1 146 146 SER HA H 1 . 6.034022348681859 . . 0.1402885007799206 . . . 409 SER HN . 409 SER HA . 26823 1 97 3JHNHA . 1 1 147 147 SER HN H 1 . . 1 1 147 147 SER HA H 1 . 5.7605985733653755 . . 0.15789749848369894 . . . 410 SER HN . 410 SER HA . 26823 1 98 3JHNHA . 1 1 148 148 GLY HN H 1 . . 1 1 148 148 GLY HA H 1 . 6.320635611257508 . . 0.1425809412846064 . . . 411 GLY HN . 411 GLY HA . 26823 1 99 3JHNHA . 1 1 149 149 TRP HN H 1 . . 1 1 149 149 TRP HA H 1 . 6.020061740778649 . . 0.0968880835942123 . . . 412 TRP HN . 412 TRP HA . 26823 1 100 3JHNHA . 1 1 150 150 GLY HN H 1 . . 1 1 150 150 GLY HA H 1 . 6.114397340219857 . . 0.12650731696830864 . . . 413 GLY HN . 413 GLY HA . 26823 1 101 3JHNHA . 1 1 151 151 MET HN H 1 . . 1 1 151 151 MET HA H 1 . 8.643508423904233 . . 0.06569694427419392 . . . 414 MET HN . 414 MET HA . 26823 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_WT_TDP-43_267-414_850_MHz_HetNOE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode WT_TDP-43_267-414_850_MHz_HetNOE _Heteronucl_NOE_list.Entry_ID 26823 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $283_K _Heteronucl_NOE_list.Spectrometer_frequency_1H 850 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 hsqcnoef3gpsi . . . 26823 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 ASN N N 15 . 1 1 4 4 ASN H H 1 0.188852 0.0758604 . . . 267 ASN N . 267 ASN H 26823 1 2 . 1 1 6 6 GLN N N 15 . 1 1 6 6 GLN H H 1 0.514044 0.0601132 . . . 269 GLN N . 269 GLN H 26823 1 3 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.575106 0.0692789 . . . 270 LEU N . 270 LEU H 26823 1 4 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.394885 0.0605043 . . . 271 GLU N . 271 GLU H 26823 1 5 . 1 1 9 9 ARG N N 15 . 1 1 9 9 ARG H H 1 0.483474 0.0446668 . . . 272 ARG N . 272 ARG H 26823 1 6 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.386435 0.0696266 . . . 273 SER N . 273 SER H 26823 1 7 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.516201 0.0870248 . . . 275 ARG N . 275 ARG H 26823 1 8 . 1 1 13 13 PHE N N 15 . 1 1 13 13 PHE H H 1 0.513953 0.101402 . . . 276 PHE N . 276 PHE H 26823 1 9 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.299744 0.0753746 . . . 278 GLY N . 278 GLY H 26823 1 10 . 1 1 16 16 ASN N N 15 . 1 1 16 16 ASN H H 1 0.502433 0.0804647 . . . 279 ASN N . 279 ASN H 26823 1 11 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.491919 0.069849 . . . 281 GLY N . 281 GLY H 26823 1 12 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.575168 0.0859521 . . . 282 GLY N . 282 GLY H 26823 1 13 . 1 1 23 23 GLN N N 15 . 1 1 23 23 GLN H H 1 0.371797 0.0637635 . . . 286 GLN N . 286 GLN H 26823 1 14 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 0.51997 0.0862134 . . . 288 GLY N . 288 GLY H 26823 1 15 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.347559 0.0651948 . . . 292 SER N . 292 SER H 26823 1 16 . 1 1 30 30 ARG N N 15 . 1 1 30 30 ARG H H 1 0.404744 0.0645383 . . . 293 ARG N . 293 ARG H 26823 1 17 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.394205 0.0749063 . . . 294 GLY N . 294 GLY H 26823 1 18 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.519047 0.0712058 . . . 295 GLY N . 295 GLY H 26823 1 19 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.44402 0.0617978 . . . 296 GLY N . 296 GLY H 26823 1 20 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.306768 0.0618717 . . . 298 GLY N . 298 GLY H 26823 1 21 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.470653 0.062503 . . . 300 GLY N . 300 GLY H 26823 1 22 . 1 1 39 39 ASN N N 15 . 1 1 39 39 ASN H H 1 0.593028 0.0757453 . . . 302 ASN N . 302 ASN H 26823 1 23 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.344025 0.0601344 . . . 303 GLN N . 303 GLN H 26823 1 24 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.302564 0.0722713 . . . 306 ASN N . 306 ASN H 26823 1 25 . 1 1 44 44 MET N N 15 . 1 1 44 44 MET H H 1 0.400126 0.07004 . . . 307 MET N . 307 MET H 26823 1 26 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.434888 0.0683052 . . . 309 GLY N . 309 GLY H 26823 1 27 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.327083 0.0566703 . . . 310 GLY N . 310 GLY H 26823 1 28 . 1 1 49 49 ASN N N 15 . 1 1 49 49 ASN H H 1 0.532276 0.0774309 . . . 312 ASN N . 312 ASN H 26823 1 29 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.477075 0.08295 . . . 313 PHE N . 313 PHE H 26823 1 30 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.515052 0.0761301 . . . 314 GLY N . 314 GLY H 26823 1 31 . 1 1 52 52 ALA N N 15 . 1 1 52 52 ALA H H 1 0.402808 0.073381 . . . 315 ALA N . 315 ALA H 26823 1 32 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 0.422217 0.0792579 . . . 316 PHE N . 316 PHE H 26823 1 33 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.444621 0.0899658 . . . 317 SER N . 317 SER H 26823 1 34 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.695943 0.148871 . . . 318 ILE N . 318 ILE H 26823 1 35 . 1 1 59 59 MET N N 15 . 1 1 59 59 MET H H 1 0.614691 0.121594 . . . 322 MET N . 322 MET H 26823 1 36 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 0.531823 0.126355 . . . 323 MET N . 323 MET H 26823 1 37 . 1 1 61 61 ALA N N 15 . 1 1 61 61 ALA H H 1 0.542782 0.0926515 . . . 324 ALA N . 324 ALA H 26823 1 38 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.480579 0.121545 . . . 325 ALA N . 325 ALA H 26823 1 39 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.56095 0.126054 . . . 326 ALA N . 326 ALA H 26823 1 40 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.640515 0.143806 . . . 328 ALA N . 328 ALA H 26823 1 41 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.607199 0.142004 . . . 329 ALA N . 329 ALA H 26823 1 42 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.586993 0.149025 . . . 330 LEU N . 330 LEU H 26823 1 43 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.63452 0.165584 . . . 331 GLN N . 331 GLN H 26823 1 44 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.493455 0.113208 . . . 333 SER N . 333 SER H 26823 1 45 . 1 1 71 71 TRP N N 15 . 1 1 71 71 TRP H H 1 0.61286 0.123139 . . . 334 TRP N . 334 TRP H 26823 1 46 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.803407 0.141225 . . . 335 GLY N . 335 GLY H 26823 1 47 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.447243 0.0951196 . . . 337 MET N . 337 MET H 26823 1 48 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.445976 0.0836087 . . . 338 GLY N . 338 GLY H 26823 1 49 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.630765 0.101301 . . . 340 LEU N . 340 LEU H 26823 1 50 . 1 1 78 78 ALA N N 15 . 1 1 78 78 ALA H H 1 0.425894 0.0726438 . . . 341 ALA N . 341 ALA H 26823 1 51 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.400793 0.077929 . . . 342 SER N . 342 SER H 26823 1 52 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.482165 0.0871307 . . . 343 GLN N . 343 GLN H 26823 1 53 . 1 1 81 81 GLN N N 15 . 1 1 81 81 GLN H H 1 0.685286 0.102481 . . . 344 GLN N . 344 GLN H 26823 1 54 . 1 1 83 83 GLN N N 15 . 1 1 83 83 GLN H H 1 0.451996 0.0696964 . . . 346 GLN N . 346 GLN H 26823 1 55 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.331183 0.0585697 . . . 347 SER N . 347 SER H 26823 1 56 . 1 1 85 85 GLY N N 15 . 1 1 85 85 GLY H H 1 0.406481 0.0634637 . . . 348 GLY N . 348 GLY H 26823 1 57 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.389205 0.0675562 . . . 350 SER N . 350 SER H 26823 1 58 . 1 1 88 88 GLY N N 15 . 1 1 88 88 GLY H H 1 0.306445 0.0683419 . . . 351 GLY N . 351 GLY H 26823 1 59 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.557017 0.0697017 . . . 357 GLY N . 357 GLY H 26823 1 60 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.280008 0.0612859 . . . 360 GLN N . 360 GLN H 26823 1 61 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.406346 0.0732784 . . . 361 ARG N . 361 ARG H 26823 1 62 . 1 1 99 99 GLU N N 15 . 1 1 99 99 GLU H H 1 0.603224 0.0811291 . . . 362 GLU N . 362 GLU H 26823 1 63 . 1 1 101 101 ASN N N 15 . 1 1 101 101 ASN H H 1 0.592197 0.0896042 . . . 364 ASN N . 364 ASN H 26823 1 64 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.543345 0.0941813 . . . 365 GLN N . 365 GLN H 26823 1 65 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.485361 0.0677657 . . . 366 ALA N . 366 ALA H 26823 1 66 . 1 1 106 106 SER N N 15 . 1 1 106 106 SER H H 1 0.484621 0.0631196 . . . 369 SER N . 369 SER H 26823 1 67 . 1 1 107 107 GLY N N 15 . 1 1 107 107 GLY H H 1 0.452329 0.0669372 . . . 370 GLY N . 370 GLY H 26823 1 68 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.462553 0.0693787 . . . 374 TYR N . 374 TYR H 26823 1 69 . 1 1 112 112 SER N N 15 . 1 1 112 112 SER H H 1 0.527576 0.0706071 . . . 375 SER N . 375 SER H 26823 1 70 . 1 1 113 113 GLY N N 15 . 1 1 113 113 GLY H H 1 0.434792 0.0751619 . . . 376 GLY N . 376 GLY H 26823 1 71 . 1 1 115 115 ASN N N 15 . 1 1 115 115 ASN H H 1 0.347115 0.0767125 . . . 378 ASN N . 378 ASN H 26823 1 72 . 1 1 116 116 SER N N 15 . 1 1 116 116 SER H H 1 0.395521 0.0574733 . . . 379 SER N . 379 SER H 26823 1 73 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.415417 0.0637843 . . . 380 GLY N . 380 GLY H 26823 1 74 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.40644 0.0520911 . . . 381 ALA N . 381 ALA H 26823 1 75 . 1 1 119 119 ALA N N 15 . 1 1 119 119 ALA H H 1 0.397051 0.0585936 . . . 382 ALA N . 382 ALA H 26823 1 76 . 1 1 120 120 ILE N N 15 . 1 1 120 120 ILE H H 1 0.36131 0.076061 . . . 383 ILE N . 383 ILE H 26823 1 77 . 1 1 121 121 GLY N N 15 . 1 1 121 121 GLY H H 1 0.419854 0.0684464 . . . 384 GLY N . 384 GLY H 26823 1 78 . 1 1 122 122 TRP N N 15 . 1 1 122 122 TRP H H 1 0.488485 0.0668248 . . . 385 TRP N . 385 TRP H 26823 1 79 . 1 1 125 125 ALA N N 15 . 1 1 125 125 ALA H H 1 0.498195 0.0625662 . . . 388 ALA N . 388 ALA H 26823 1 80 . 1 1 126 126 SER N N 15 . 1 1 126 126 SER H H 1 0.361587 0.052366 . . . 389 SER N . 389 SER H 26823 1 81 . 1 1 128 128 ALA N N 15 . 1 1 128 128 ALA H H 1 0.547023 0.0549715 . . . 391 ALA N . 391 ALA H 26823 1 82 . 1 1 129 129 GLY N N 15 . 1 1 129 129 GLY H H 1 0.237256 0.0604244 . . . 392 GLY N . 392 GLY H 26823 1 83 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.277433 0.0555496 . . . 394 GLY N . 394 GLY H 26823 1 84 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.433508 0.0656465 . . . 395 SER N . 395 SER H 26823 1 85 . 1 1 134 134 PHE N N 15 . 1 1 134 134 PHE H H 1 0.468916 0.0649474 . . . 397 PHE N . 397 PHE H 26823 1 86 . 1 1 135 135 ASN N N 15 . 1 1 135 135 ASN H H 1 0.439071 0.0721847 . . . 398 ASN N . 398 ASN H 26823 1 87 . 1 1 136 136 GLY N N 15 . 1 1 136 136 GLY H H 1 0.399477 0.0873428 . . . 399 GLY N . 399 GLY H 26823 1 88 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.503667 0.0749303 . . . 400 GLY N . 400 GLY H 26823 1 89 . 1 1 138 138 PHE N N 15 . 1 1 138 138 PHE H H 1 0.454453 0.0691381 . . . 401 PHE N . 401 PHE H 26823 1 90 . 1 1 139 139 GLY N N 15 . 1 1 139 139 GLY H H 1 0.38494 0.0667549 . . . 402 GLY N . 402 GLY H 26823 1 91 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 0.510756 0.0742006 . . . 404 SER N . 404 SER H 26823 1 92 . 1 1 142 142 MET N N 15 . 1 1 142 142 MET H H 1 0.295745 0.0559548 . . . 405 MET N . 405 MET H 26823 1 93 . 1 1 143 143 ASP N N 15 . 1 1 143 143 ASP H H 1 0.664845 0.0727225 . . . 406 ASP N . 406 ASP H 26823 1 94 . 1 1 144 144 SER N N 15 . 1 1 144 144 SER H H 1 0.56463 0.0659788 . . . 407 SER N . 407 SER H 26823 1 95 . 1 1 145 145 LYS N N 15 . 1 1 145 145 LYS H H 1 0.451872 0.0621829 . . . 408 LYS N . 408 LYS H 26823 1 96 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.388399 0.0610915 . . . 409 SER N . 409 SER H 26823 1 97 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.436769 0.0599626 . . . 410 SER N . 410 SER H 26823 1 98 . 1 1 148 148 GLY N N 15 . 1 1 148 148 GLY H H 1 0.443209 0.0725889 . . . 411 GLY N . 411 GLY H 26823 1 99 . 1 1 149 149 TRP N N 15 . 1 1 149 149 TRP H H 1 0.517553 0.0607119 . . . 412 TRP N . 412 TRP H 26823 1 100 . 1 1 150 150 GLY N N 15 . 1 1 150 150 GLY H H 1 0.249187 0.0520062 . . . 413 GLY N . 413 GLY H 26823 1 101 . 1 1 151 151 MET N N 15 . 1 1 151 151 MET H H 1 -0.06942 -0.0558437 . . . 414 MET N . 414 MET H 26823 1 stop_ save_ save_WT_TDP-43_267-414_500_MHz_HetNOE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode WT_TDP-43_267-414_500_MHz_HetNOE _Heteronucl_NOE_list.Entry_ID 26823 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $283_K _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 hsqcnoef3gpsi . . . 26823 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 ASN N N 15 . 1 1 4 4 ASN H H 1 -0.278665 -0.0726276 . . . 267 ASN N . 267 ASN H 26823 2 2 . 1 1 6 6 GLN N N 15 . 1 1 6 6 GLN H H 1 -0.114276 -0.0499826 . . . 269 GLN N . 269 GLN H 26823 2 3 . 1 1 7 7 LEU N N 15 . 1 1 7 7 LEU H H 1 0.132665 0.0532943 . . . 270 LEU N . 270 LEU H 26823 2 4 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.0441663 0.0478331 . . . 271 GLU N . 271 GLU H 26823 2 5 . 1 1 9 9 ARG N N 15 . 1 1 9 9 ARG H H 1 -0.11795 -0.0336161 . . . 272 ARG N . 272 ARG H 26823 2 6 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.107516 0.070118 . . . 273 SER N . 273 SER H 26823 2 7 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.0596667 0.0621432 . . . 275 ARG N . 275 ARG H 26823 2 8 . 1 1 13 13 PHE N N 15 . 1 1 13 13 PHE H H 1 -0.0584987 -0.0586101 . . . 276 PHE N . 276 PHE H 26823 2 9 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.0957489 0.0536538 . . . 278 GLY N . 278 GLY H 26823 2 10 . 1 1 16 16 ASN N N 15 . 1 1 16 16 ASN H H 1 0.0647521 0.071111 . . . 279 ASN N . 279 ASN H 26823 2 11 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 -0.0407116 -0.0585816 . . . 281 GLY N . 281 GLY H 26823 2 12 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 -0.0114028 -0.0502069 . . . 282 GLY N . 282 GLY H 26823 2 13 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 -0.0476029 -0.0481187 . . . 287 GLY N . 287 GLY H 26823 2 14 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 -0.0830472 -0.0423866 . . . 288 GLY N . 288 GLY H 26823 2 15 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 -0.0815668 -0.0625779 . . . 292 SER N . 292 SER H 26823 2 16 . 1 1 30 30 ARG N N 15 . 1 1 30 30 ARG H H 1 -0.159565 -0.0595899 . . . 293 ARG N . 293 ARG H 26823 2 17 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 -0.0900238 -0.0592944 . . . 294 GLY N . 294 GLY H 26823 2 18 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 -0.0411096 -0.0376607 . . . 295 GLY N . 295 GLY H 26823 2 19 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 -0.00161925 -0.039585 . . . 296 GLY N . 296 GLY H 26823 2 20 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 -0.326614 -0.048951 . . . 298 GLY N . 298 GLY H 26823 2 21 . 1 1 39 39 ASN N N 15 . 1 1 39 39 ASN H H 1 -0.0815799 -0.0525593 . . . 302 ASN N . 302 ASN H 26823 2 22 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 -0.0457644 -0.0488399 . . . 303 GLN N . 303 GLN H 26823 2 23 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.13407 0.05067 . . . 306 ASN N . 306 ASN H 26823 2 24 . 1 1 44 44 MET N N 15 . 1 1 44 44 MET H H 1 0.0272984 0.049521 . . . 307 MET N . 307 MET H 26823 2 25 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 -0.199847 -0.0465001 . . . 310 GLY N . 310 GLY H 26823 2 26 . 1 1 49 49 ASN N N 15 . 1 1 49 49 ASN H H 1 -0.0149801 -0.0592266 . . . 312 ASN N . 312 ASN H 26823 2 27 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.165371 0.0555907 . . . 313 PHE N . 313 PHE H 26823 2 28 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.0634536 0.0681491 . . . 314 GLY N . 314 GLY H 26823 2 29 . 1 1 52 52 ALA N N 15 . 1 1 52 52 ALA H H 1 0.175216 0.0532865 . . . 315 ALA N . 315 ALA H 26823 2 30 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.18282 0.0609654 . . . 317 SER N . 317 SER H 26823 2 31 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.273472 0.0929514 . . . 318 ILE N . 318 ILE H 26823 2 32 . 1 1 59 59 MET N N 15 . 1 1 59 59 MET H H 1 0.200434 0.0774497 . . . 322 MET N . 322 MET H 26823 2 33 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 0.285033 0.0820178 . . . 323 MET N . 323 MET H 26823 2 34 . 1 1 61 61 ALA N N 15 . 1 1 61 61 ALA H H 1 0.359714 0.0904104 . . . 324 ALA N . 324 ALA H 26823 2 35 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.443495 0.0795038 . . . 325 ALA N . 325 ALA H 26823 2 36 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.301364 0.0662799 . . . 326 ALA N . 326 ALA H 26823 2 37 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.426949 0.122544 . . . 328 ALA N . 328 ALA H 26823 2 38 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.30008 0.083367 . . . 329 ALA N . 329 ALA H 26823 2 39 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.338858 0.0930419 . . . 330 LEU N . 330 LEU H 26823 2 40 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.427766 0.114114 . . . 331 GLN N . 331 GLN H 26823 2 41 . 1 1 69 69 SER N N 15 . 1 1 69 69 SER H H 1 0.272129 0.0812925 . . . 332 SER N . 332 SER H 26823 2 42 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.16531 0.0835546 . . . 333 SER N . 333 SER H 26823 2 43 . 1 1 71 71 TRP N N 15 . 1 1 71 71 TRP H H 1 0.289252 0.0843439 . . . 334 TRP N . 334 TRP H 26823 2 44 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.347582 0.0983563 . . . 335 GLY N . 335 GLY H 26823 2 45 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.207299 0.0898607 . . . 337 MET N . 337 MET H 26823 2 46 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.278359 0.0850987 . . . 338 GLY N . 338 GLY H 26823 2 47 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.253642 0.0733668 . . . 340 LEU N . 340 LEU H 26823 2 48 . 1 1 78 78 ALA N N 15 . 1 1 78 78 ALA H H 1 0.185974 0.0551664 . . . 341 ALA N . 341 ALA H 26823 2 49 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.0728879 0.0527656 . . . 342 SER N . 342 SER H 26823 2 50 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.0862225 0.0677233 . . . 343 GLN N . 343 GLN H 26823 2 51 . 1 1 81 81 GLN N N 15 . 1 1 81 81 GLN H H 1 0.181226 0.0616184 . . . 344 GLN N . 344 GLN H 26823 2 52 . 1 1 83 83 GLN N N 15 . 1 1 83 83 GLN H H 1 -0.174252 -0.0555087 . . . 346 GLN N . 346 GLN H 26823 2 53 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 -0.057892 -0.0521336 . . . 347 SER N . 347 SER H 26823 2 54 . 1 1 85 85 GLY N N 15 . 1 1 85 85 GLY H H 1 -0.0463624 -0.044898 . . . 348 GLY N . 348 GLY H 26823 2 55 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 -0.227628 -0.0519521 . . . 350 SER N . 350 SER H 26823 2 56 . 1 1 88 88 GLY N N 15 . 1 1 88 88 GLY H H 1 -0.125714 -0.0549637 . . . 351 GLY N . 351 GLY H 26823 2 57 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.0157173 0.0565827 . . . 360 GLN N . 360 GLN H 26823 2 58 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.0210391 0.0548681 . . . 361 ARG N . 361 ARG H 26823 2 59 . 1 1 99 99 GLU N N 15 . 1 1 99 99 GLU H H 1 0.182015 0.061228 . . . 362 GLU N . 362 GLU H 26823 2 60 . 1 1 101 101 ASN N N 15 . 1 1 101 101 ASN H H 1 0.144425 0.0586447 . . . 364 ASN N . 364 ASN H 26823 2 61 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.197161 0.0582068 . . . 365 GLN N . 365 GLN H 26823 2 62 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.151554 0.0492733 . . . 366 ALA N . 366 ALA H 26823 2 63 . 1 1 107 107 GLY N N 15 . 1 1 107 107 GLY H H 1 -0.0654063 -0.0468143 . . . 370 GLY N . 370 GLY H 26823 2 64 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.152848 0.0633206 . . . 374 TYR N . 374 TYR H 26823 2 65 . 1 1 112 112 SER N N 15 . 1 1 112 112 SER H H 1 0.0796614 0.0640166 . . . 375 SER N . 375 SER H 26823 2 66 . 1 1 113 113 GLY N N 15 . 1 1 113 113 GLY H H 1 0.107715 0.0563569 . . . 376 GLY N . 376 GLY H 26823 2 67 . 1 1 115 115 ASN N N 15 . 1 1 115 115 ASN H H 1 -0.0607393 -0.0745022 . . . 378 ASN N . 378 ASN H 26823 2 68 . 1 1 116 116 SER N N 15 . 1 1 116 116 SER H H 1 -0.00862987 -0.0525073 . . . 379 SER N . 379 SER H 26823 2 69 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.0275187 0.0396949 . . . 381 ALA N . 381 ALA H 26823 2 70 . 1 1 119 119 ALA N N 15 . 1 1 119 119 ALA H H 1 -0.043187 -0.0422147 . . . 382 ALA N . 382 ALA H 26823 2 71 . 1 1 120 120 ILE N N 15 . 1 1 120 120 ILE H H 1 -0.173476 -0.0541975 . . . 383 ILE N . 383 ILE H 26823 2 72 . 1 1 121 121 GLY N N 15 . 1 1 121 121 GLY H H 1 0.0244579 0.0547312 . . . 384 GLY N . 384 GLY H 26823 2 73 . 1 1 122 122 TRP N N 15 . 1 1 122 122 TRP H H 1 0.0406394 0.0474 . . . 385 TRP N . 385 TRP H 26823 2 74 . 1 1 124 124 SER N N 15 . 1 1 124 124 SER H H 1 0.0225841 0.0461973 . . . 387 SER N . 387 SER H 26823 2 75 . 1 1 125 125 ALA N N 15 . 1 1 125 125 ALA H H 1 -0.099581 -0.0464356 . . . 388 ALA N . 388 ALA H 26823 2 76 . 1 1 126 126 SER N N 15 . 1 1 126 126 SER H H 1 -0.0352558 -0.0422195 . . . 389 SER N . 389 SER H 26823 2 77 . 1 1 128 128 ALA N N 15 . 1 1 128 128 ALA H H 1 0.0582783 0.040181 . . . 391 ALA N . 391 ALA H 26823 2 78 . 1 1 129 129 GLY N N 15 . 1 1 129 129 GLY H H 1 -0.184461 -0.0481064 . . . 392 GLY N . 392 GLY H 26823 2 79 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 -0.200239 -0.0454458 . . . 394 GLY N . 394 GLY H 26823 2 80 . 1 1 134 134 PHE N N 15 . 1 1 134 134 PHE H H 1 -0.0339831 -0.0476002 . . . 397 PHE N . 397 PHE H 26823 2 81 . 1 1 135 135 ASN N N 15 . 1 1 135 135 ASN H H 1 -0.0713105 -0.061702 . . . 398 ASN N . 398 ASN H 26823 2 82 . 1 1 136 136 GLY N N 15 . 1 1 136 136 GLY H H 1 0.0404198 0.0539173 . . . 399 GLY N . 399 GLY H 26823 2 83 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.110709 0.0484596 . . . 400 GLY N . 400 GLY H 26823 2 84 . 1 1 138 138 PHE N N 15 . 1 1 138 138 PHE H H 1 0.0588025 0.0508824 . . . 401 PHE N . 401 PHE H 26823 2 85 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 -0.124518 -0.0521386 . . . 404 SER N . 404 SER H 26823 2 86 . 1 1 142 142 MET N N 15 . 1 1 142 142 MET H H 1 -0.0706366 -0.0471489 . . . 405 MET N . 405 MET H 26823 2 87 . 1 1 143 143 ASP N N 15 . 1 1 143 143 ASP H H 1 0.111065 0.0480418 . . . 406 ASP N . 406 ASP H 26823 2 88 . 1 1 144 144 SER N N 15 . 1 1 144 144 SER H H 1 0.0677448 0.0446901 . . . 407 SER N . 407 SER H 26823 2 89 . 1 1 145 145 LYS N N 15 . 1 1 145 145 LYS H H 1 0.0489498 0.051747 . . . 408 LYS N . 408 LYS H 26823 2 90 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 -0.0717365 -0.044999 . . . 409 SER N . 409 SER H 26823 2 91 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 -0.157156 -0.0477221 . . . 410 SER N . 410 SER H 26823 2 92 . 1 1 148 148 GLY N N 15 . 1 1 148 148 GLY H H 1 -0.212951 -0.0499073 . . . 411 GLY N . 411 GLY H 26823 2 93 . 1 1 149 149 TRP N N 15 . 1 1 149 149 TRP H H 1 -0.369653 -0.0415239 . . . 412 TRP N . 412 TRP H 26823 2 94 . 1 1 150 150 GLY N N 15 . 1 1 150 150 GLY H H 1 -0.342151 -0.0454907 . . . 413 GLY N . 413 GLY H 26823 2 95 . 1 1 151 151 MET N N 15 . 1 1 151 151 MET H H 1 -0.745793 -0.0516545 . . . 414 MET N . 414 MET H 26823 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_WT_TDP-43_267-414_850_MHz_R1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode WT_TDP-43_267-414_850_MHz_R1 _Heteronucl_T1_list.Entry_ID 26823 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $283_K _Heteronucl_T1_list.Spectrometer_frequency_1H 850 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 10 hsqct1etf3gpsitc3d.nlf . . . 26823 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 ASN N N 15 1.643756 0.139889 . . 267 ASN N 26823 1 2 . 1 1 6 6 GLN N N 15 1.906251 0.084273 . . 269 GLN N 26823 1 3 . 1 1 7 7 LEU N N 15 1.946772 0.083161 . . 270 LEU N 26823 1 4 . 1 1 8 8 GLU N N 15 1.904645 0.071111 . . 271 GLU N 26823 1 5 . 1 1 9 9 ARG N N 15 1.874355 0.059859 . . 272 ARG N 26823 1 6 . 1 1 10 10 SER N N 15 1.784131 0.107354 . . 273 SER N 26823 1 7 . 1 1 12 12 ARG N N 15 2.076283 0.123465 . . 275 ARG N 26823 1 8 . 1 1 13 13 PHE N N 15 1.937482 0.123276 . . 276 PHE N 26823 1 9 . 1 1 15 15 GLY N N 15 1.817710 0.117478 . . 278 GLY N 26823 1 10 . 1 1 16 16 ASN N N 15 1.884308 0.102922 . . 279 ASN N 26823 1 11 . 1 1 18 18 GLY N N 15 1.734372 0.100145 . . 281 GLY N 26823 1 12 . 1 1 19 19 GLY N N 15 1.744289 0.099576 . . 282 GLY N 26823 1 13 . 1 1 20 20 PHE N N 15 1.812473 0.081369 . . 283 PHE N 26823 1 14 . 1 1 22 22 ASN N N 15 1.731116 0.103218 . . 285 ASN N 26823 1 15 . 1 1 23 23 GLN N N 15 1.718108 0.095711 . . 286 GLN N 26823 1 16 . 1 1 24 24 GLY N N 15 1.884905 0.086578 . . 287 GLY N 26823 1 17 . 1 1 25 25 GLY N N 15 1.902495 0.097372 . . 288 GLY N 26823 1 18 . 1 1 26 26 PHE N N 15 1.680522 0.072368 . . 289 PHE N 26823 1 19 . 1 1 29 29 SER N N 15 1.844319 0.108489 . . 292 SER N 26823 1 20 . 1 1 30 30 ARG N N 15 1.962740 0.104282 . . 293 ARG N 26823 1 21 . 1 1 31 31 GLY N N 15 1.791579 0.101491 . . 294 GLY N 26823 1 22 . 1 1 32 32 GLY N N 15 1.796315 0.077946 . . 295 GLY N 26823 1 23 . 1 1 33 33 GLY N N 15 1.625957 0.071170 . . 296 GLY N 26823 1 24 . 1 1 35 35 GLY N N 15 1.496004 0.063833 . . 298 GLY N 26823 1 25 . 1 1 37 37 GLY N N 15 1.666274 0.067946 . . 300 GLY N 26823 1 26 . 1 1 39 39 ASN N N 15 1.852404 0.098190 . . 302 ASN N 26823 1 27 . 1 1 40 40 GLN N N 15 1.694545 0.072087 . . 303 GLN N 26823 1 28 . 1 1 41 41 GLY N N 15 1.776205 0.078268 . . 304 GLY N 26823 1 29 . 1 1 43 43 ASN N N 15 1.711990 0.105124 . . 306 ASN N 26823 1 30 . 1 1 44 44 MET N N 15 1.751689 0.078438 . . 307 MET N 26823 1 31 . 1 1 45 45 GLY N N 15 1.722285 0.080912 . . 308 GLY N 26823 1 32 . 1 1 46 46 GLY N N 15 1.645106 0.077161 . . 309 GLY N 26823 1 33 . 1 1 47 47 GLY N N 15 1.681080 0.073420 . . 310 GLY N 26823 1 34 . 1 1 48 48 MET N N 15 1.622423 0.072610 . . 311 MET N 26823 1 35 . 1 1 49 49 ASN N N 15 1.511716 0.086820 . . 312 ASN N 26823 1 36 . 1 1 50 50 PHE N N 15 1.632131 0.085940 . . 313 PHE N 26823 1 37 . 1 1 51 51 GLY N N 15 1.836306 0.095558 . . 314 GLY N 26823 1 38 . 1 1 52 52 ALA N N 15 1.962877 0.100762 . . 315 ALA N 26823 1 39 . 1 1 53 53 PHE N N 15 1.560904 0.088684 . . 316 PHE N 26823 1 40 . 1 1 54 54 SER N N 15 1.668131 0.114423 . . 317 SER N 26823 1 41 . 1 1 55 55 ILE N N 15 1.623472 0.137366 . . 318 ILE N 26823 1 42 . 1 1 59 59 MET N N 15 1.527431 0.121742 . . 322 MET N 26823 1 43 . 1 1 60 60 MET N N 15 1.804409 0.161152 . . 323 MET N 26823 1 44 . 1 1 61 61 ALA N N 15 1.380971 0.136510 . . 324 ALA N 26823 1 45 . 1 1 62 62 ALA N N 15 1.513009 0.123691 . . 325 ALA N 26823 1 46 . 1 1 63 63 ALA N N 15 1.668303 0.109379 . . 326 ALA N 26823 1 47 . 1 1 65 65 ALA N N 15 1.912272 0.178929 . . 328 ALA N 26823 1 48 . 1 1 66 66 ALA N N 15 1.612066 0.125928 . . 329 ALA N 26823 1 49 . 1 1 67 67 LEU N N 15 1.403220 0.125428 . . 330 LEU N 26823 1 50 . 1 1 68 68 GLN N N 15 1.320050 0.122331 . . 331 GLN N 26823 1 51 . 1 1 69 69 SER N N 15 1.668136 0.168773 . . 332 SER N 26823 1 52 . 1 1 70 70 SER N N 15 1.489534 0.153400 . . 333 SER N 26823 1 53 . 1 1 71 71 TRP N N 15 1.676671 0.158283 . . 334 TRP N 26823 1 54 . 1 1 72 72 GLY N N 15 1.434404 0.158464 . . 335 GLY N 26823 1 55 . 1 1 73 73 MET N N 15 1.867662 0.127631 . . 336 MET N 26823 1 56 . 1 1 74 74 MET N N 15 1.649338 0.119569 . . 337 MET N 26823 1 57 . 1 1 75 75 GLY N N 15 1.735064 0.135935 . . 338 GLY N 26823 1 58 . 1 1 76 76 MET N N 15 1.706775 0.112519 . . 339 MET N 26823 1 59 . 1 1 77 77 LEU N N 15 1.704286 0.098692 . . 340 LEU N 26823 1 60 . 1 1 78 78 ALA N N 15 1.829600 0.092550 . . 341 ALA N 26823 1 61 . 1 1 79 79 SER N N 15 1.539192 0.086204 . . 342 SER N 26823 1 62 . 1 1 80 80 GLN N N 15 1.873917 0.104331 . . 343 GLN N 26823 1 63 . 1 1 81 81 GLN N N 15 1.710619 0.093760 . . 344 GLN N 26823 1 64 . 1 1 83 83 GLN N N 15 1.581460 0.074408 . . 346 GLN N 26823 1 65 . 1 1 84 84 SER N N 15 1.666636 0.070555 . . 347 SER N 26823 1 66 . 1 1 85 85 GLY N N 15 1.629258 0.066018 . . 348 GLY N 26823 1 67 . 1 1 87 87 SER N N 15 1.519928 0.071859 . . 350 SER N 26823 1 68 . 1 1 88 88 GLY N N 15 1.900192 0.084247 . . 351 GLY N 26823 1 69 . 1 1 94 94 GLY N N 15 1.663118 0.076209 . . 357 GLY N 26823 1 70 . 1 1 96 96 MET N N 15 1.779450 0.071094 . . 359 MET N 26823 1 71 . 1 1 97 97 GLN N N 15 1.592842 0.070977 . . 360 GLN N 26823 1 72 . 1 1 98 98 ARG N N 15 1.639429 0.082067 . . 361 ARG N 26823 1 73 . 1 1 99 99 GLU N N 15 1.742877 0.091194 . . 362 GLU N 26823 1 74 . 1 1 101 101 ASN N N 15 1.663433 0.085799 . . 364 ASN N 26823 1 75 . 1 1 102 102 GLN N N 15 1.733036 0.081736 . . 365 GLN N 26823 1 76 . 1 1 103 103 ALA N N 15 1.685009 0.073605 . . 366 ALA N 26823 1 77 . 1 1 104 104 PHE N N 15 1.635237 0.070731 . . 367 PHE N 26823 1 78 . 1 1 106 106 SER N N 15 1.711243 0.070247 . . 369 SER N 26823 1 79 . 1 1 107 107 GLY N N 15 1.777846 0.080566 . . 370 GLY N 26823 1 80 . 1 1 108 108 ASN N N 15 1.892524 0.079674 . . 371 ASN N 26823 1 81 . 1 1 110 110 SER N N 15 1.730360 0.076792 . . 373 SER N 26823 1 82 . 1 1 111 111 TYR N N 15 1.939299 0.095572 . . 374 TYR N 26823 1 83 . 1 1 112 112 SER N N 15 1.683823 0.092901 . . 375 SER N 26823 1 84 . 1 1 113 113 GLY N N 15 1.763996 0.102754 . . 376 GLY N 26823 1 85 . 1 1 114 114 SER N N 15 1.835818 0.075617 . . 377 SER N 26823 1 86 . 1 1 115 115 ASN N N 15 1.772880 0.129052 . . 378 ASN N 26823 1 87 . 1 1 116 116 SER N N 15 1.691726 0.074556 . . 379 SER N 26823 1 88 . 1 1 117 117 GLY N N 15 1.777993 0.073385 . . 380 GLY N 26823 1 89 . 1 1 118 118 ALA N N 15 1.773759 0.059466 . . 381 ALA N 26823 1 90 . 1 1 119 119 ALA N N 15 1.543834 0.052628 . . 382 ALA N 26823 1 91 . 1 1 120 120 ILE N N 15 1.465072 0.061208 . . 383 ILE N 26823 1 92 . 1 1 121 121 GLY N N 15 1.833215 0.084428 . . 384 GLY N 26823 1 93 . 1 1 122 122 TRP N N 15 1.691272 0.071689 . . 385 TRP N 26823 1 94 . 1 1 124 124 SER N N 15 1.664514 0.077147 . . 387 SER N 26823 1 95 . 1 1 125 125 ALA N N 15 1.723841 0.071152 . . 388 ALA N 26823 1 96 . 1 1 126 126 SER N N 15 1.658012 0.062829 . . 389 SER N 26823 1 97 . 1 1 127 127 ASN N N 15 1.884076 0.089366 . . 390 ASN N 26823 1 98 . 1 1 128 128 ALA N N 15 1.745877 0.063563 . . 391 ALA N 26823 1 99 . 1 1 129 129 GLY N N 15 1.524297 0.070242 . . 392 GLY N 26823 1 100 . 1 1 130 130 SER N N 15 1.803192 0.082744 . . 393 SER N 26823 1 101 . 1 1 131 131 GLY N N 15 1.696845 0.071463 . . 394 GLY N 26823 1 102 . 1 1 132 132 SER N N 15 1.628242 0.069995 . . 395 SER N 26823 1 103 . 1 1 134 134 PHE N N 15 1.658757 0.076249 . . 397 PHE N 26823 1 104 . 1 1 135 135 ASN N N 15 1.822269 0.104690 . . 398 ASN N 26823 1 105 . 1 1 136 136 GLY N N 15 1.818828 0.102563 . . 399 GLY N 26823 1 106 . 1 1 137 137 GLY N N 15 1.730341 0.098335 . . 400 GLY N 26823 1 107 . 1 1 138 138 PHE N N 15 1.964013 0.086537 . . 401 PHE N 26823 1 108 . 1 1 139 139 GLY N N 15 1.821304 0.079200 . . 402 GLY N 26823 1 109 . 1 1 141 141 SER N N 15 1.785590 0.077821 . . 404 SER N 26823 1 110 . 1 1 142 142 MET N N 15 1.817993 0.073144 . . 405 MET N 26823 1 111 . 1 1 143 143 ASP N N 15 1.866186 0.069373 . . 406 ASP N 26823 1 112 . 1 1 144 144 SER N N 15 1.786143 0.077178 . . 407 SER N 26823 1 113 . 1 1 145 145 LYS N N 15 1.878321 0.076828 . . 408 LYS N 26823 1 114 . 1 1 146 146 SER N N 15 1.789959 0.078450 . . 409 SER N 26823 1 115 . 1 1 147 147 SER N N 15 1.758957 0.068186 . . 410 SER N 26823 1 116 . 1 1 148 148 GLY N N 15 1.658891 0.067702 . . 411 GLY N 26823 1 117 . 1 1 149 149 TRP N N 15 1.728562 0.056780 . . 412 TRP N 26823 1 118 . 1 1 150 150 GLY N N 15 1.600088 0.052920 . . 413 GLY N 26823 1 119 . 1 1 151 151 MET N N 15 1.305728 0.043001 . . 414 MET N 26823 1 stop_ save_ save_WT_TDP-43_267-414_500_MHz_R1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode WT_TDP-43_267-414_500_MHz_R1 _Heteronucl_T1_list.Entry_ID 26823 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $283_K _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 10 hsqct1etf3gpsitc3d.nlf . . . 26823 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 ASN N N 15 1.315402 0.135542 . . 267 ASN N 26823 2 2 . 1 1 6 6 GLN N N 15 1.832864 0.098354 . . 269 GLN N 26823 2 3 . 1 1 7 7 LEU N N 15 1.913918 0.097998 . . 270 LEU N 26823 2 4 . 1 1 8 8 GLU N N 15 1.806658 0.085383 . . 271 GLU N 26823 2 5 . 1 1 9 9 ARG N N 15 1.801776 0.066805 . . 272 ARG N 26823 2 6 . 1 1 10 10 SER N N 15 2.065485 0.159093 . . 273 SER N 26823 2 7 . 1 1 12 12 ARG N N 15 1.815731 0.133107 . . 275 ARG N 26823 2 8 . 1 1 13 13 PHE N N 15 2.024115 0.145555 . . 276 PHE N 26823 2 9 . 1 1 15 15 GLY N N 15 1.546285 0.095822 . . 278 GLY N 26823 2 10 . 1 1 16 16 ASN N N 15 1.456103 0.115350 . . 279 ASN N 26823 2 11 . 1 1 18 18 GLY N N 15 1.944336 0.119871 . . 281 GLY N 26823 2 12 . 1 1 19 19 GLY N N 15 1.967048 0.087401 . . 282 GLY N 26823 2 13 . 1 1 23 23 GLN N N 15 1.777382 0.106584 . . 286 GLN N 26823 2 14 . 1 1 24 24 GLY N N 15 1.858598 0.094016 . . 287 GLY N 26823 2 15 . 1 1 25 25 GLY N N 15 1.798772 0.077293 . . 288 GLY N 26823 2 16 . 1 1 29 29 SER N N 15 1.403928 0.121849 . . 292 SER N 26823 2 17 . 1 1 30 30 ARG N N 15 1.861277 0.151129 . . 293 ARG N 26823 2 18 . 1 1 31 31 GLY N N 15 1.604585 0.106327 . . 294 GLY N 26823 2 19 . 1 1 33 33 GLY N N 15 1.537260 0.068760 . . 296 GLY N 26823 2 20 . 1 1 34 34 ALA N N 15 1.703973 0.048212 . . 297 ALA N 26823 2 21 . 1 1 35 35 GLY N N 15 1.560095 0.071358 . . 298 GLY N 26823 2 22 . 1 1 37 37 GLY N N 15 1.644902 0.068045 . . 300 GLY N 26823 2 23 . 1 1 40 40 GLN N N 15 1.898837 0.089026 . . 303 GLN N 26823 2 24 . 1 1 43 43 ASN N N 15 1.836371 0.108205 . . 306 ASN N 26823 2 25 . 1 1 44 44 MET N N 15 1.893301 0.097393 . . 307 MET N 26823 2 26 . 1 1 47 47 GLY N N 15 1.432162 0.073205 . . 310 GLY N 26823 2 27 . 1 1 48 48 MET N N 15 1.723996 0.081540 . . 311 MET N 26823 2 28 . 1 1 49 49 ASN N N 15 1.665135 0.109666 . . 312 ASN N 26823 2 29 . 1 1 50 50 PHE N N 15 1.820306 0.102294 . . 313 PHE N 26823 2 30 . 1 1 51 51 GLY N N 15 2.079013 0.137522 . . 314 GLY N 26823 2 31 . 1 1 52 52 ALA N N 15 1.967601 0.103445 . . 315 ALA N 26823 2 32 . 1 1 54 54 SER N N 15 1.911907 0.143983 . . 317 SER N 26823 2 33 . 1 1 55 55 ILE N N 15 1.966364 0.143800 . . 318 ILE N 26823 2 34 . 1 1 59 59 MET N N 15 2.299285 0.179905 . . 322 MET N 26823 2 35 . 1 1 60 60 MET N N 15 2.076883 0.173051 . . 323 MET N 26823 2 36 . 1 1 61 61 ALA N N 15 1.953179 0.155395 . . 324 ALA N 26823 2 37 . 1 1 62 62 ALA N N 15 1.966280 0.154635 . . 325 ALA N 26823 2 38 . 1 1 63 63 ALA N N 15 2.146976 0.156783 . . 326 ALA N 26823 2 39 . 1 1 65 65 ALA N N 15 2.167048 0.190294 . . 328 ALA N 26823 2 40 . 1 1 66 66 ALA N N 15 1.911500 0.137600 . . 329 ALA N 26823 2 41 . 1 1 67 67 LEU N N 15 1.901883 0.175272 . . 330 LEU N 26823 2 42 . 1 1 68 68 GLN N N 15 2.162631 0.215655 . . 331 GLN N 26823 2 43 . 1 1 69 69 SER N N 15 1.987769 0.173502 . . 332 SER N 26823 2 44 . 1 1 70 70 SER N N 15 2.309069 0.225592 . . 333 SER N 26823 2 45 . 1 1 71 71 TRP N N 15 2.313532 0.180288 . . 334 TRP N 26823 2 46 . 1 1 72 72 GLY N N 15 1.972678 0.169882 . . 335 GLY N 26823 2 47 . 1 1 73 73 MET N N 15 2.007360 0.114331 . . 336 MET N 26823 2 48 . 1 1 74 74 MET N N 15 1.886889 0.140318 . . 337 MET N 26823 2 49 . 1 1 75 75 GLY N N 15 1.969433 0.143637 . . 338 GLY N 26823 2 50 . 1 1 76 76 MET N N 15 1.934116 0.107688 . . 339 MET N 26823 2 51 . 1 1 77 77 LEU N N 15 1.701518 0.116904 . . 340 LEU N 26823 2 52 . 1 1 78 78 ALA N N 15 1.903283 0.106397 . . 341 ALA N 26823 2 53 . 1 1 79 79 SER N N 15 2.106473 0.112729 . . 342 SER N 26823 2 54 . 1 1 80 80 GLN N N 15 2.051176 0.132556 . . 343 GLN N 26823 2 55 . 1 1 81 81 GLN N N 15 1.958993 0.107265 . . 344 GLN N 26823 2 56 . 1 1 83 83 GLN N N 15 1.737197 0.094162 . . 346 GLN N 26823 2 57 . 1 1 84 84 SER N N 15 1.731580 0.086198 . . 347 SER N 26823 2 58 . 1 1 85 85 GLY N N 15 1.560652 0.060415 . . 348 GLY N 26823 2 59 . 1 1 87 87 SER N N 15 1.456776 0.079503 . . 350 SER N 26823 2 60 . 1 1 88 88 GLY N N 15 1.617954 0.092599 . . 351 GLY N 26823 2 61 . 1 1 94 94 GLY N N 15 1.667657 0.077075 . . 357 GLY N 26823 2 62 . 1 1 97 97 GLN N N 15 1.879195 0.094311 . . 360 GLN N 26823 2 63 . 1 1 98 98 ARG N N 15 2.103757 0.114101 . . 361 ARG N 26823 2 64 . 1 1 99 99 GLU N N 15 1.849125 0.100767 . . 362 GLU N 26823 2 65 . 1 1 101 101 ASN N N 15 1.904252 0.096334 . . 364 ASN N 26823 2 66 . 1 1 102 102 GLN N N 15 1.785624 0.100091 . . 365 GLN N 26823 2 67 . 1 1 103 103 ALA N N 15 1.882319 0.084045 . . 366 ALA N 26823 2 68 . 1 1 104 104 PHE N N 15 1.836932 0.085493 . . 367 PHE N 26823 2 69 . 1 1 107 107 GLY N N 15 1.636927 0.078886 . . 370 GLY N 26823 2 70 . 1 1 111 111 TYR N N 15 1.809020 0.105244 . . 374 TYR N 26823 2 71 . 1 1 112 112 SER N N 15 1.773780 0.115598 . . 375 SER N 26823 2 72 . 1 1 113 113 GLY N N 15 1.722324 0.092640 . . 376 GLY N 26823 2 73 . 1 1 115 115 ASN N N 15 1.635075 0.144112 . . 378 ASN N 26823 2 74 . 1 1 116 116 SER N N 15 1.629574 0.106980 . . 379 SER N 26823 2 75 . 1 1 117 117 GLY N N 15 1.897122 0.066063 . . 380 GLY N 26823 2 76 . 1 1 118 118 ALA N N 15 1.815409 0.059839 . . 381 ALA N 26823 2 77 . 1 1 119 119 ALA N N 15 1.606472 0.064472 . . 382 ALA N 26823 2 78 . 1 1 120 120 ILE N N 15 1.664167 0.067693 . . 383 ILE N 26823 2 79 . 1 1 121 121 GLY N N 15 1.668037 0.088023 . . 384 GLY N 26823 2 80 . 1 1 122 122 TRP N N 15 1.948637 0.086300 . . 385 TRP N 26823 2 81 . 1 1 124 124 SER N N 15 1.752803 0.084090 . . 387 SER N 26823 2 82 . 1 1 125 125 ALA N N 15 1.595716 0.072807 . . 388 ALA N 26823 2 83 . 1 1 126 126 SER N N 15 1.666742 0.079289 . . 389 SER N 26823 2 84 . 1 1 128 128 ALA N N 15 1.603469 0.068966 . . 391 ALA N 26823 2 85 . 1 1 129 129 GLY N N 15 1.611768 0.077570 . . 392 GLY N 26823 2 86 . 1 1 131 131 GLY N N 15 1.546143 0.081269 . . 394 GLY N 26823 2 87 . 1 1 134 134 PHE N N 15 1.774136 0.077654 . . 397 PHE N 26823 2 88 . 1 1 135 135 ASN N N 15 1.739493 0.121891 . . 398 ASN N 26823 2 89 . 1 1 136 136 GLY N N 15 1.787707 0.086807 . . 399 GLY N 26823 2 90 . 1 1 137 137 GLY N N 15 1.794322 0.096921 . . 400 GLY N 26823 2 91 . 1 1 138 138 PHE N N 15 1.702909 0.079613 . . 401 PHE N 26823 2 92 . 1 1 139 139 GLY N N 15 1.935610 0.071428 . . 402 GLY N 26823 2 93 . 1 1 141 141 SER N N 15 1.725481 0.092701 . . 404 SER N 26823 2 94 . 1 1 142 142 MET N N 15 1.704476 0.076693 . . 405 MET N 26823 2 95 . 1 1 143 143 ASP N N 15 1.816866 0.083614 . . 406 ASP N 26823 2 96 . 1 1 144 144 SER N N 15 1.730688 0.091049 . . 407 SER N 26823 2 97 . 1 1 145 145 LYS N N 15 2.018381 0.092849 . . 408 LYS N 26823 2 98 . 1 1 146 146 SER N N 15 1.723801 0.094409 . . 409 SER N 26823 2 99 . 1 1 147 147 SER N N 15 1.554027 0.079353 . . 410 SER N 26823 2 100 . 1 1 148 148 GLY N N 15 1.616664 0.074308 . . 411 GLY N 26823 2 101 . 1 1 149 149 TRP N N 15 1.577662 0.052792 . . 412 TRP N 26823 2 102 . 1 1 150 150 GLY N N 15 1.369591 0.054466 . . 413 GLY N 26823 2 103 . 1 1 151 151 MET N N 15 1.166751 0.039671 . . 414 MET N 26823 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_WT_TDP-43_267-414_850_MHz_R2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode WT_TDP-43_267-414_850_MHz_R2 _Heteronucl_T2_list.Entry_ID 26823 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $283_K _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 850 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 11 hsqct2etf3gpsitc3d.ac . . . 26823 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 ASN N N 15 3.831561 0.288092 . . . . 267 ASN N 26823 1 2 . 1 1 6 6 GLN N N 15 4.601263 0.178668 . . . . 269 GLN N 26823 1 3 . 1 1 7 7 LEU N N 15 5.036656 0.202131 . . . . 270 LEU N 26823 1 4 . 1 1 8 8 GLU N N 15 4.746953 0.178375 . . . . 271 GLU N 26823 1 5 . 1 1 9 9 ARG N N 15 4.258404 0.129765 . . . . 272 ARG N 26823 1 6 . 1 1 10 10 SER N N 15 5.505041 0.223734 . . . . 273 SER N 26823 1 7 . 1 1 12 12 ARG N N 15 5.298316 0.268369 . . . . 275 ARG N 26823 1 8 . 1 1 13 13 PHE N N 15 5.171424 0.265137 . . . . 276 PHE N 26823 1 9 . 1 1 15 15 GLY N N 15 4.750573 0.276795 . . . . 278 GLY N 26823 1 10 . 1 1 16 16 ASN N N 15 5.194536 0.232164 . . . . 279 ASN N 26823 1 11 . 1 1 18 18 GLY N N 15 5.447266 0.271521 . . . . 281 GLY N 26823 1 12 . 1 1 19 19 GLY N N 15 4.892603 0.245437 . . . . 282 GLY N 26823 1 13 . 1 1 20 20 PHE N N 15 4.842996 0.197987 . . . . 283 PHE N 26823 1 14 . 1 1 22 22 ASN N N 15 4.954947 0.226998 . . . . 285 ASN N 26823 1 15 . 1 1 23 23 GLN N N 15 4.689877 0.213256 . . . . 286 GLN N 26823 1 16 . 1 1 24 24 GLY N N 15 4.842211 0.210075 . . . . 287 GLY N 26823 1 17 . 1 1 25 25 GLY N N 15 5.251481 0.244647 . . . . 288 GLY N 26823 1 18 . 1 1 26 26 PHE N N 15 4.808777 0.180036 . . . . 289 PHE N 26823 1 19 . 1 1 29 29 SER N N 15 4.754047 0.205110 . . . . 292 SER N 26823 1 20 . 1 1 30 30 ARG N N 15 4.535234 0.215450 . . . . 293 ARG N 26823 1 21 . 1 1 31 31 GLY N N 15 4.352797 0.198727 . . . . 294 GLY N 26823 1 22 . 1 1 32 32 GLY N N 15 4.279364 0.167910 . . . . 295 GLY N 26823 1 23 . 1 1 33 33 GLY N N 15 5.450999 0.184385 . . . . 296 GLY N 26823 1 24 . 1 1 35 35 GLY N N 15 4.339420 0.154936 . . . . 298 GLY N 26823 1 25 . 1 1 37 37 GLY N N 15 4.427695 0.164408 . . . . 300 GLY N 26823 1 26 . 1 1 39 39 ASN N N 15 4.901340 0.210742 . . . . 302 ASN N 26823 1 27 . 1 1 40 40 GLN N N 15 4.670675 0.176924 . . . . 303 GLN N 26823 1 28 . 1 1 41 41 GLY N N 15 4.562878 0.177355 . . . . 304 GLY N 26823 1 29 . 1 1 43 43 ASN N N 15 4.734872 0.224274 . . . . 306 ASN N 26823 1 30 . 1 1 44 44 MET N N 15 4.409211 0.168107 . . . . 307 MET N 26823 1 31 . 1 1 45 45 GLY N N 15 5.021190 0.181352 . . . . 308 GLY N 26823 1 32 . 1 1 46 46 GLY N N 15 5.025215 0.185304 . . . . 309 GLY N 26823 1 33 . 1 1 47 47 GLY N N 15 4.030348 0.157937 . . . . 310 GLY N 26823 1 34 . 1 1 48 48 MET N N 15 5.246692 0.186953 . . . . 311 MET N 26823 1 35 . 1 1 49 49 ASN N N 15 5.464837 0.249718 . . . . 312 ASN N 26823 1 36 . 1 1 50 50 PHE N N 15 6.230649 0.263693 . . . . 313 PHE N 26823 1 37 . 1 1 51 51 GLY N N 15 6.822883 0.305873 . . . . 314 GLY N 26823 1 38 . 1 1 52 52 ALA N N 15 7.572751 0.309142 . . . . 315 ALA N 26823 1 39 . 1 1 53 53 PHE N N 15 6.937473 0.344457 . . . . 316 PHE N 26823 1 40 . 1 1 54 54 SER N N 15 6.956615 0.384146 . . . . 317 SER N 26823 1 41 . 1 1 55 55 ILE N N 15 7.485034 0.501644 . . . . 318 ILE N 26823 1 42 . 1 1 59 59 MET N N 15 11.368037 0.816307 . . . . 322 MET N 26823 1 43 . 1 1 60 60 MET N N 15 12.012062 1.026616 . . . . 323 MET N 26823 1 44 . 1 1 61 61 ALA N N 15 12.563340 0.927744 . . . . 324 ALA N 26823 1 45 . 1 1 62 62 ALA N N 15 12.410994 0.975445 . . . . 325 ALA N 26823 1 46 . 1 1 63 63 ALA N N 15 11.944430 0.706880 . . . . 326 ALA N 26823 1 47 . 1 1 65 65 ALA N N 15 11.764102 1.082594 . . . . 328 ALA N 26823 1 48 . 1 1 66 66 ALA N N 15 12.015812 0.911209 . . . . 329 ALA N 26823 1 49 . 1 1 67 67 LEU N N 15 12.437492 0.968448 . . . . 330 LEU N 26823 1 50 . 1 1 68 68 GLN N N 15 11.470109 1.111069 . . . . 331 GLN N 26823 1 51 . 1 1 69 69 SER N N 15 11.283166 0.857419 . . . . 332 SER N 26823 1 52 . 1 1 70 70 SER N N 15 9.358244 0.679818 . . . . 333 SER N 26823 1 53 . 1 1 71 71 TRP N N 15 10.509848 0.759979 . . . . 334 TRP N 26823 1 54 . 1 1 72 72 GLY N N 15 11.368195 0.974007 . . . . 335 GLY N 26823 1 55 . 1 1 73 73 MET N N 15 7.900932 0.490216 . . . . 336 MET N 26823 1 56 . 1 1 74 74 MET N N 15 8.297774 0.517907 . . . . 337 MET N 26823 1 57 . 1 1 75 75 GLY N N 15 9.601757 0.542991 . . . . 338 GLY N 26823 1 58 . 1 1 76 76 MET N N 15 8.537466 0.449511 . . . . 339 MET N 26823 1 59 . 1 1 77 77 LEU N N 15 7.517006 0.396387 . . . . 340 LEU N 26823 1 60 . 1 1 78 78 ALA N N 15 8.092596 0.353163 . . . . 341 ALA N 26823 1 61 . 1 1 79 79 SER N N 15 6.810232 0.284805 . . . . 342 SER N 26823 1 62 . 1 1 80 80 GLN N N 15 6.514472 0.310202 . . . . 343 GLN N 26823 1 63 . 1 1 81 81 GLN N N 15 6.147266 0.261306 . . . . 344 GLN N 26823 1 64 . 1 1 83 83 GLN N N 15 5.164646 0.194385 . . . . 346 GLN N 26823 1 65 . 1 1 84 84 SER N N 15 4.495455 0.161817 . . . . 347 SER N 26823 1 66 . 1 1 85 85 GLY N N 15 4.250543 0.150267 . . . . 348 GLY N 26823 1 67 . 1 1 87 87 SER N N 15 4.212252 0.168353 . . . . 350 SER N 26823 1 68 . 1 1 88 88 GLY N N 15 3.990508 0.172662 . . . . 351 GLY N 26823 1 69 . 1 1 94 94 GLY N N 15 5.172788 0.201263 . . . . 357 GLY N 26823 1 70 . 1 1 96 96 MET N N 15 5.099679 0.177684 . . . . 359 MET N 26823 1 71 . 1 1 97 97 GLN N N 15 5.818995 0.199456 . . . . 360 GLN N 26823 1 72 . 1 1 98 98 ARG N N 15 5.404216 0.244113 . . . . 361 ARG N 26823 1 73 . 1 1 99 99 GLU N N 15 5.982504 0.255710 . . . . 362 GLU N 26823 1 74 . 1 1 101 101 ASN N N 15 5.927530 0.264497 . . . . 364 ASN N 26823 1 75 . 1 1 102 102 GLN N N 15 5.527274 0.219386 . . . . 365 GLN N 26823 1 76 . 1 1 103 103 ALA N N 15 5.983797 0.224653 . . . . 366 ALA N 26823 1 77 . 1 1 104 104 PHE N N 15 4.960800 0.197841 . . . . 367 PHE N 26823 1 78 . 1 1 106 106 SER N N 15 4.560582 0.169867 . . . . 369 SER N 26823 1 79 . 1 1 107 107 GLY N N 15 4.391205 0.172812 . . . . 370 GLY N 26823 1 80 . 1 1 108 108 ASN N N 15 5.088044 0.182333 . . . . 371 ASN N 26823 1 81 . 1 1 110 110 SER N N 15 5.225346 0.188154 . . . . 373 SER N 26823 1 82 . 1 1 111 111 TYR N N 15 5.707347 0.223204 . . . . 374 TYR N 26823 1 83 . 1 1 112 112 SER N N 15 5.032231 0.233933 . . . . 375 SER N 26823 1 84 . 1 1 113 113 GLY N N 15 4.657240 0.259305 . . . . 376 GLY N 26823 1 85 . 1 1 114 114 SER N N 15 4.558227 0.159572 . . . . 377 SER N 26823 1 86 . 1 1 115 115 ASN N N 15 4.537689 0.257539 . . . . 378 ASN N 26823 1 87 . 1 1 116 116 SER N N 15 4.510412 0.166330 . . . . 379 SER N 26823 1 88 . 1 1 117 117 GLY N N 15 4.225346 0.168784 . . . . 380 GLY N 26823 1 89 . 1 1 118 118 ALA N N 15 5.209535 0.162701 . . . . 381 ALA N 26823 1 90 . 1 1 119 119 ALA N N 15 4.894908 0.157550 . . . . 382 ALA N 26823 1 91 . 1 1 120 120 ILE N N 15 5.394330 0.193244 . . . . 383 ILE N 26823 1 92 . 1 1 121 121 GLY N N 15 5.491786 0.203915 . . . . 384 GLY N 26823 1 93 . 1 1 122 122 TRP N N 15 5.582422 0.204278 . . . . 385 TRP N 26823 1 94 . 1 1 124 124 SER N N 15 5.478006 0.189834 . . . . 387 SER N 26823 1 95 . 1 1 125 125 ALA N N 15 5.279431 0.173656 . . . . 388 ALA N 26823 1 96 . 1 1 126 126 SER N N 15 4.301821 0.152968 . . . . 389 SER N 26823 1 97 . 1 1 127 127 ASN N N 15 4.483661 0.187144 . . . . 390 ASN N 26823 1 98 . 1 1 128 128 ALA N N 15 4.687023 0.150488 . . . . 391 ALA N 26823 1 99 . 1 1 129 129 GLY N N 15 4.414448 0.159262 . . . . 392 GLY N 26823 1 100 . 1 1 130 130 SER N N 15 5.085932 0.178839 . . . . 393 SER N 26823 1 101 . 1 1 131 131 GLY N N 15 3.712896 0.163223 . . . . 394 GLY N 26823 1 102 . 1 1 132 132 SER N N 15 4.251651 0.158524 . . . . 395 SER N 26823 1 103 . 1 1 134 134 PHE N N 15 4.472059 0.163910 . . . . 397 PHE N 26823 1 104 . 1 1 135 135 ASN N N 15 5.066860 0.234177 . . . . 398 ASN N 26823 1 105 . 1 1 136 136 GLY N N 15 5.442364 0.266548 . . . . 399 GLY N 26823 1 106 . 1 1 137 137 GLY N N 15 5.228105 0.237751 . . . . 400 GLY N 26823 1 107 . 1 1 138 138 PHE N N 15 4.535710 0.170082 . . . . 401 PHE N 26823 1 108 . 1 1 139 139 GLY N N 15 4.187797 0.166875 . . . . 402 GLY N 26823 1 109 . 1 1 141 141 SER N N 15 4.859149 0.178261 . . . . 404 SER N 26823 1 110 . 1 1 142 142 MET N N 15 4.500384 0.163466 . . . . 405 MET N 26823 1 111 . 1 1 143 143 ASP N N 15 4.369528 0.154555 . . . . 406 ASP N 26823 1 112 . 1 1 144 144 SER N N 15 4.285399 0.159208 . . . . 407 SER N 26823 1 113 . 1 1 145 145 LYS N N 15 4.147933 0.158341 . . . . 408 LYS N 26823 1 114 . 1 1 146 146 SER N N 15 4.652602 0.171712 . . . . 409 SER N 26823 1 115 . 1 1 147 147 SER N N 15 4.130048 0.151243 . . . . 410 SER N 26823 1 116 . 1 1 148 148 GLY N N 15 4.559282 0.158440 . . . . 411 GLY N 26823 1 117 . 1 1 149 149 TRP N N 15 4.203185 0.130609 . . . . 412 TRP N 26823 1 118 . 1 1 150 150 GLY N N 15 3.433935 0.122410 . . . . 413 GLY N 26823 1 119 . 1 1 151 151 MET N N 15 3.530867 0.117529 . . . . 414 MET N 26823 1 stop_ save_ save_WT_TDP-43_267-414_500_MHz_R2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode WT_TDP-43_267-414_500_MHz_R2 _Heteronucl_T2_list.Entry_ID 26823 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $283_K _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 11 hsqct2etf3gpsitc3d.ac . . . 26823 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 ASN N N 15 2.716074 0.407890 . . . . 267 ASN N 26823 2 2 . 1 1 6 6 GLN N N 15 3.326811 0.280407 . . . . 269 GLN N 26823 2 3 . 1 1 7 7 LEU N N 15 3.547734 0.303798 . . . . 270 LEU N 26823 2 4 . 1 1 8 8 GLU N N 15 3.515088 0.309003 . . . . 271 GLU N 26823 2 5 . 1 1 9 9 ARG N N 15 3.679347 0.213290 . . . . 272 ARG N 26823 2 6 . 1 1 10 10 SER N N 15 4.249262 0.436117 . . . . 273 SER N 26823 2 7 . 1 1 11 11 GLY N N 15 3.323153 0.170000 . . . . 274 GLY N 26823 2 8 . 1 1 12 12 ARG N N 15 4.084885 0.437173 . . . . 275 ARG N 26823 2 9 . 1 1 13 13 PHE N N 15 3.537533 0.397188 . . . . 276 PHE N 26823 2 10 . 1 1 14 14 GLY N N 15 3.545315 0.144363 . . . . 277 GLY N 26823 2 11 . 1 1 15 15 GLY N N 15 3.069859 0.287205 . . . . 278 GLY N 26823 2 12 . 1 1 16 16 ASN N N 15 3.840966 0.414479 . . . . 279 ASN N 26823 2 13 . 1 1 18 18 GLY N N 15 3.394946 0.333492 . . . . 281 GLY N 26823 2 14 . 1 1 19 19 GLY N N 15 3.446585 0.268170 . . . . 282 GLY N 26823 2 15 . 1 1 20 20 PHE N N 15 3.447164 0.224591 . . . . 283 PHE N 26823 2 16 . 1 1 21 21 GLY N N 15 3.299547 0.192697 . . . . 284 GLY N 26823 2 17 . 1 1 22 22 ASN N N 15 3.511996 0.331397 . . . . 285 ASN N 26823 2 18 . 1 1 23 23 GLN N N 15 4.060672 0.325613 . . . . 286 GLN N 26823 2 19 . 1 1 24 24 GLY N N 15 3.393900 0.292390 . . . . 287 GLY N 26823 2 20 . 1 1 25 25 GLY N N 15 3.221464 0.239661 . . . . 288 GLY N 26823 2 21 . 1 1 26 26 PHE N N 15 3.447164 0.224591 . . . . 289 PHE N 26823 2 22 . 1 1 27 27 GLY N N 15 3.299547 0.192697 . . . . 290 GLY N 26823 2 23 . 1 1 28 28 ASN N N 15 3.620938 0.178789 . . . . 291 ASN N 26823 2 24 . 1 1 29 29 SER N N 15 3.476921 0.399076 . . . . 292 SER N 26823 2 25 . 1 1 30 30 ARG N N 15 3.751361 0.379458 . . . . 293 ARG N 26823 2 26 . 1 1 31 31 GLY N N 15 2.882554 0.308116 . . . . 294 GLY N 26823 2 27 . 1 1 32 32 GLY N N 15 2.992095 0.201691 . . . . 295 GLY N 26823 2 28 . 1 1 33 33 GLY N N 15 2.971849 0.217786 . . . . 296 GLY N 26823 2 29 . 1 1 34 34 ALA N N 15 3.445612 0.176906 . . . . 297 ALA N 26823 2 30 . 1 1 35 35 GLY N N 15 2.786391 0.221818 . . . . 298 GLY N 26823 2 31 . 1 1 36 36 LEU N N 15 3.598403 0.194734 . . . . 299 LEU N 26823 2 32 . 1 1 37 37 GLY N N 15 2.869656 0.208176 . . . . 300 GLY N 26823 2 33 . 1 1 38 38 ASN N N 15 3.620938 0.178789 . . . . 301 ASN N 26823 2 34 . 1 1 39 39 ASN N N 15 3.770228 0.334914 . . . . 302 ASN N 26823 2 35 . 1 1 40 40 GLN N N 15 3.856054 0.287774 . . . . 303 GLN N 26823 2 36 . 1 1 41 41 GLY N N 15 3.161175 0.184540 . . . . 304 GLY N 26823 2 37 . 1 1 42 42 SER N N 15 3.303671 0.148318 . . . . 305 SER N 26823 2 38 . 1 1 43 43 ASN N N 15 3.798112 0.350831 . . . . 306 ASN N 26823 2 39 . 1 1 44 44 MET N N 15 3.564112 0.311995 . . . . 307 MET N 26823 2 40 . 1 1 45 45 GLY N N 15 3.161175 0.184540 . . . . 308 GLY N 26823 2 41 . 1 1 46 46 GLY N N 15 3.192674 0.222032 . . . . 309 GLY N 26823 2 42 . 1 1 47 47 GLY N N 15 2.762835 0.236698 . . . . 310 GLY N 26823 2 43 . 1 1 48 48 MET N N 15 3.746244 0.288552 . . . . 311 MET N 26823 2 44 . 1 1 49 49 ASN N N 15 4.592744 0.443946 . . . . 312 ASN N 26823 2 45 . 1 1 50 50 PHE N N 15 4.455644 0.424074 . . . . 313 PHE N 26823 2 46 . 1 1 51 51 GLY N N 15 4.147468 0.430691 . . . . 314 GLY N 26823 2 47 . 1 1 52 52 ALA N N 15 4.754437 0.420643 . . . . 315 ALA N 26823 2 48 . 1 1 53 53 PHE N N 15 5.816085 0.420818 . . . . 316 PHE N 26823 2 49 . 1 1 54 54 SER N N 15 5.074230 0.543216 . . . . 317 SER N 26823 2 50 . 1 1 55 55 ILE N N 15 5.585775 0.709812 . . . . 318 ILE N 26823 2 51 . 1 1 59 59 MET N N 15 8.944357 1.308961 . . . . 322 MET N 26823 2 52 . 1 1 60 60 MET N N 15 6.748418 1.053771 . . . . 323 MET N 26823 2 53 . 1 1 61 61 ALA N N 15 8.951216 1.491299 . . . . 324 ALA N 26823 2 54 . 1 1 62 62 ALA N N 15 9.268563 1.233060 . . . . 325 ALA N 26823 2 55 . 1 1 63 63 ALA N N 15 8.213275 1.150189 . . . . 326 ALA N 26823 2 56 . 1 1 65 65 ALA N N 15 7.954871 1.348824 . . . . 328 ALA N 26823 2 57 . 1 1 66 66 ALA N N 15 8.412336 1.199760 . . . . 329 ALA N 26823 2 58 . 1 1 67 67 LEU N N 15 7.647171 1.177486 . . . . 330 LEU N 26823 2 59 . 1 1 68 68 GLN N N 15 9.573326 1.606793 . . . . 331 GLN N 26823 2 60 . 1 1 69 69 SER N N 15 7.217259 1.061973 . . . . 332 SER N 26823 2 61 . 1 1 70 70 SER N N 15 7.917795 1.172829 . . . . 333 SER N 26823 2 62 . 1 1 71 71 TRP N N 15 8.465268 1.074594 . . . . 334 TRP N 26823 2 63 . 1 1 72 72 GLY N N 15 7.660161 1.298822 . . . . 335 GLY N 26823 2 64 . 1 1 73 73 MET N N 15 6.241262 0.614384 . . . . 336 MET N 26823 2 65 . 1 1 74 74 MET N N 15 6.639701 0.781811 . . . . 337 MET N 26823 2 66 . 1 1 75 75 GLY N N 15 5.122459 0.632440 . . . . 338 GLY N 26823 2 67 . 1 1 76 76 MET N N 15 5.693701 0.502692 . . . . 339 MET N 26823 2 68 . 1 1 77 77 LEU N N 15 5.499435 0.607209 . . . . 340 LEU N 26823 2 69 . 1 1 78 78 ALA N N 15 4.869075 0.441517 . . . . 341 ALA N 26823 2 70 . 1 1 79 79 SER N N 15 4.735056 0.418291 . . . . 342 SER N 26823 2 71 . 1 1 80 80 GLN N N 15 4.472838 0.474421 . . . . 343 GLN N 26823 2 72 . 1 1 81 81 GLN N N 15 4.571534 0.433422 . . . . 344 GLN N 26823 2 73 . 1 1 82 82 ASN N N 15 3.740773 0.205719 . . . . 345 ASN N 26823 2 74 . 1 1 83 83 GLN N N 15 3.360106 0.320035 . . . . 346 GLN N 26823 2 75 . 1 1 84 84 SER N N 15 3.235206 0.287458 . . . . 347 SER N 26823 2 76 . 1 1 85 85 GLY N N 15 2.876210 0.215601 . . . . 348 GLY N 26823 2 77 . 1 1 87 87 SER N N 15 3.231139 0.269299 . . . . 350 SER N 26823 2 78 . 1 1 88 88 GLY N N 15 2.792580 0.262478 . . . . 351 GLY N 26823 2 79 . 1 1 89 89 ASN N N 15 3.464552 0.171799 . . . . 352 ASN N 26823 2 80 . 1 1 90 90 ASN N N 15 3.411009 0.205729 . . . . 353 ASN N 26823 2 81 . 1 1 91 91 GLN N N 15 3.469224 0.165012 . . . . 354 GLN N 26823 2 82 . 1 1 92 92 ASN N N 15 3.411009 0.205729 . . . . 355 ASN N 26823 2 83 . 1 1 93 93 GLN N N 15 3.469224 0.165012 . . . . 356 GLN N 26823 2 84 . 1 1 94 94 GLY N N 15 3.217970 0.241807 . . . . 357 GLY N 26823 2 85 . 1 1 95 95 ASN N N 15 3.464552 0.171799 . . . . 358 ASN N 26823 2 86 . 1 1 96 96 MET N N 15 3.728883 0.261696 . . . . 359 MET N 26823 2 87 . 1 1 97 97 GLN N N 15 3.882993 0.328573 . . . . 360 GLN N 26823 2 88 . 1 1 98 98 ARG N N 15 4.452746 0.398785 . . . . 361 ARG N 26823 2 89 . 1 1 99 99 GLU N N 15 3.997002 0.369529 . . . . 362 GLU N 26823 2 90 . 1 1 101 101 ASN N N 15 4.466019 0.360101 . . . . 364 ASN N 26823 2 91 . 1 1 102 102 GLN N N 15 4.513463 0.380042 . . . . 365 GLN N 26823 2 92 . 1 1 103 103 ALA N N 15 3.606449 0.299044 . . . . 366 ALA N 26823 2 93 . 1 1 104 104 PHE N N 15 3.485194 0.288395 . . . . 367 PHE N 26823 2 94 . 1 1 105 105 GLY N N 15 3.545315 0.144363 . . . . 368 GLY N 26823 2 95 . 1 1 106 106 SER N N 15 3.381476 0.195953 . . . . 369 SER N 26823 2 96 . 1 1 107 107 GLY N N 15 3.408384 0.254761 . . . . 370 GLY N 26823 2 97 . 1 1 108 108 ASN N N 15 3.631298 0.278871 . . . . 371 ASN N 26823 2 98 . 1 1 109 109 ASN N N 15 3.740773 0.205719 . . . . 372 ASN N 26823 2 99 . 1 1 110 110 SER N N 15 3.966417 0.303027 . . . . 373 SER N 26823 2 100 . 1 1 111 111 TYR N N 15 3.697846 0.347047 . . . . 374 TYR N 26823 2 101 . 1 1 112 112 SER N N 15 4.151567 0.405785 . . . . 375 SER N 26823 2 102 . 1 1 113 113 GLY N N 15 3.316830 0.302224 . . . . 376 GLY N 26823 2 103 . 1 1 114 114 SER N N 15 3.706207 0.285227 . . . . 377 SER N 26823 2 104 . 1 1 115 115 ASN N N 15 3.527936 0.407500 . . . . 378 ASN N 26823 2 105 . 1 1 116 116 SER N N 15 3.135768 0.292911 . . . . 379 SER N 26823 2 106 . 1 1 117 117 GLY N N 15 3.568564 0.219016 . . . . 380 GLY N 26823 2 107 . 1 1 118 118 ALA N N 15 3.388847 0.200413 . . . . 381 ALA N 26823 2 108 . 1 1 119 119 ALA N N 15 3.362537 0.225703 . . . . 382 ALA N 26823 2 109 . 1 1 120 120 ILE N N 15 3.490387 0.256842 . . . . 383 ILE N 26823 2 110 . 1 1 121 121 GLY N N 15 3.477937 0.331457 . . . . 384 GLY N 26823 2 111 . 1 1 122 122 TRP N N 15 4.101423 0.316413 . . . . 385 TRP N 26823 2 112 . 1 1 123 123 GLY N N 15 3.545315 0.144363 . . . . 386 GLY N 26823 2 113 . 1 1 124 124 SER N N 15 3.698051 0.285909 . . . . 387 SER N 26823 2 114 . 1 1 125 125 ALA N N 15 3.471569 0.264705 . . . . 388 ALA N 26823 2 115 . 1 1 126 126 SER N N 15 3.556314 0.270955 . . . . 389 SER N 26823 2 116 . 1 1 127 127 ASN N N 15 3.728883 0.261696 . . . . 390 ASN N 26823 2 117 . 1 1 128 128 ALA N N 15 3.080190 0.224673 . . . . 391 ALA N 26823 2 118 . 1 1 129 129 GLY N N 15 2.830433 0.246387 . . . . 392 GLY N 26823 2 119 . 1 1 130 130 SER N N 15 3.540247 0.223500 . . . . 393 SER N 26823 2 120 . 1 1 131 131 GLY N N 15 2.976899 0.245456 . . . . 394 GLY N 26823 2 121 . 1 1 132 132 SER N N 15 3.381476 0.195953 . . . . 395 SER N 26823 2 122 . 1 1 133 133 GLY N N 15 3.323153 0.170000 . . . . 396 GLY N 26823 2 123 . 1 1 134 134 PHE N N 15 3.248298 0.260334 . . . . 397 PHE N 26823 2 124 . 1 1 135 135 ASN N N 15 3.217301 0.369147 . . . . 398 ASN N 26823 2 125 . 1 1 136 136 GLY N N 15 3.459501 0.277126 . . . . 399 GLY N 26823 2 126 . 1 1 137 137 GLY N N 15 3.099353 0.281447 . . . . 400 GLY N 26823 2 127 . 1 1 138 138 PHE N N 15 3.214366 0.264253 . . . . 401 PHE N 26823 2 128 . 1 1 139 139 GLY N N 15 3.478282 0.222859 . . . . 402 GLY N 26823 2 129 . 1 1 140 140 SER N N 15 3.303671 0.148318 . . . . 403 SER N 26823 2 130 . 1 1 141 141 SER N N 15 2.999275 0.282560 . . . . 404 SER N 26823 2 131 . 1 1 142 142 MET N N 15 3.421754 0.282222 . . . . 405 MET N 26823 2 132 . 1 1 143 143 ASP N N 15 3.436406 0.265548 . . . . 406 ASP N 26823 2 133 . 1 1 144 144 SER N N 15 3.333611 0.282181 . . . . 407 SER N 26823 2 134 . 1 1 145 145 LYS N N 15 3.137765 0.269141 . . . . 408 LYS N 26823 2 135 . 1 1 146 146 SER N N 15 3.020623 0.260695 . . . . 409 SER N 26823 2 136 . 1 1 147 147 SER N N 15 2.922365 0.256165 . . . . 410 SER N 26823 2 137 . 1 1 148 148 GLY N N 15 3.013229 0.248535 . . . . 411 GLY N 26823 2 138 . 1 1 149 149 TRP N N 15 3.013808 0.189125 . . . . 412 TRP N 26823 2 139 . 1 1 150 150 GLY N N 15 2.576797 0.206976 . . . . 413 GLY N 26823 2 140 . 1 1 151 151 MET N N 15 2.158540 0.161303 . . . . 414 MET N 26823 2 stop_ save_