data_52062
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52062
_Entry.Title
;
Backbone 1H and 15N Chemical Shift Assignments for the region 310-350 for TDP-43 C-terminal domain engineered variant 5M to A outside CR
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2023-07-30
_Entry.Accession_date 2023-07-30
_Entry.Last_release_date 2023-07-31
_Entry.Original_release_date 2023-07-31
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 'Jayakrishna Shenoy' 'Krishnashenoy Padmabai' . . . 0000-0002-0360-645X 52062
2 Priyesh Mohanty . . . . 52062
3 Azamat Rizuan . . . . 52062
4 Jose 'Mercado Ortiz' . F. . . 52062
5 Nicolas Fawzi . L. . . 52062
6 Jeetain Mittal . . . . 52062
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'Brown University' . 52062
2 . 'Texas A&M University' . 52062
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52062
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'15N chemical shifts' 39 52062
'1H chemical shifts' 39 52062
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2023-10-28 . original BMRB . 52062
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 52060 'the region 310-350 for TDP-43 C-terminal domain engineered variant 5M to A inside CR' 52062
BMRB 52061 'the region 310-350 for TDP-43 C-terminal domain engineered variant 6F to A' 52062
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52062
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 37579155
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
A synergy between site-specific and transient interactions drives the phase separation of a disordered, low-complexity domain
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.'
_Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America'
_Citation.Journal_volume 120
_Citation.Journal_issue 34
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 1091-6490
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first e2305625120
_Citation.Page_last e2305625120
_Citation.Year 2023
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Priyesh Mohanty . . . . 52062 1
2 'Jayakrishna Shenoy' 'Krishnashenoy Padmabai' . . . . 52062 1
3 Azamat Rizuan . . . . 52062 1
4 Jose 'Mercado Ortiz' . F. . . 52062 1
5 Nicolas Fawzi . L. . . 52062 1
6 Jeetain Mittal . . . . 52062 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'TDP-43, NMR, Phase separation' 52062 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52062
_Assembly.ID 1
_Assembly.Name '5M to A IDR TDP-43 mutant'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 '5M to A IDR' 1 $entity_1 . . yes native no no . . . 52062 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52062
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
NRQLERSGRFGGNPGGFGNQ
GGFGNSRGGGAGLGNNQGSN
AGGGANFGAFSINPAMMAAA
QAALQSSWGMMGMLASQQNQ
SGPSGNNQNQGNAQREPNQA
FGSGNNSYSGSNSGAAIGWG
SASNAGSGSGFNGGFGSSAD
SKSSGWGA
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 148
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 267 ASN . 52062 1
2 268 ARG . 52062 1
3 269 GLN . 52062 1
4 270 LEU . 52062 1
5 271 GLU . 52062 1
6 272 ARG . 52062 1
7 273 SER . 52062 1
8 274 GLY . 52062 1
9 275 ARG . 52062 1
10 276 PHE . 52062 1
11 277 GLY . 52062 1
12 278 GLY . 52062 1
13 279 ASN . 52062 1
14 280 PRO . 52062 1
15 281 GLY . 52062 1
16 282 GLY . 52062 1
17 283 PHE . 52062 1
18 284 GLY . 52062 1
19 285 ASN . 52062 1
20 286 GLN . 52062 1
21 287 GLY . 52062 1
22 288 GLY . 52062 1
23 289 PHE . 52062 1
24 290 GLY . 52062 1
25 291 ASN . 52062 1
26 292 SER . 52062 1
27 293 ARG . 52062 1
28 294 GLY . 52062 1
29 295 GLY . 52062 1
30 296 GLY . 52062 1
31 297 ALA . 52062 1
32 298 GLY . 52062 1
33 299 LEU . 52062 1
34 300 GLY . 52062 1
35 301 ASN . 52062 1
36 302 ASN . 52062 1
37 303 GLN . 52062 1
38 304 GLY . 52062 1
39 305 SER . 52062 1
40 306 ASN . 52062 1
41 307 ALA . 52062 1
42 308 GLY . 52062 1
43 309 GLY . 52062 1
44 310 GLY . 52062 1
45 311 ALA . 52062 1
46 312 ASN . 52062 1
47 313 PHE . 52062 1
48 314 GLY . 52062 1
49 315 ALA . 52062 1
50 316 PHE . 52062 1
51 317 SER . 52062 1
52 318 ILE . 52062 1
53 319 ASN . 52062 1
54 320 PRO . 52062 1
55 321 ALA . 52062 1
56 322 MET . 52062 1
57 323 MET . 52062 1
58 324 ALA . 52062 1
59 325 ALA . 52062 1
60 326 ALA . 52062 1
61 327 GLN . 52062 1
62 328 ALA . 52062 1
63 329 ALA . 52062 1
64 330 LEU . 52062 1
65 331 GLN . 52062 1
66 332 SER . 52062 1
67 333 SER . 52062 1
68 334 TRP . 52062 1
69 335 GLY . 52062 1
70 336 MET . 52062 1
71 337 MET . 52062 1
72 338 GLY . 52062 1
73 339 MET . 52062 1
74 340 LEU . 52062 1
75 341 ALA . 52062 1
76 342 SER . 52062 1
77 343 GLN . 52062 1
78 344 GLN . 52062 1
79 345 ASN . 52062 1
80 346 GLN . 52062 1
81 347 SER . 52062 1
82 348 GLY . 52062 1
83 349 PRO . 52062 1
84 350 SER . 52062 1
85 351 GLY . 52062 1
86 352 ASN . 52062 1
87 353 ASN . 52062 1
88 354 GLN . 52062 1
89 355 ASN . 52062 1
90 356 GLN . 52062 1
91 357 GLY . 52062 1
92 358 ASN . 52062 1
93 359 ALA . 52062 1
94 360 GLN . 52062 1
95 361 ARG . 52062 1
96 362 GLU . 52062 1
97 363 PRO . 52062 1
98 364 ASN . 52062 1
99 365 GLN . 52062 1
100 366 ALA . 52062 1
101 367 PHE . 52062 1
102 368 GLY . 52062 1
103 369 SER . 52062 1
104 370 GLY . 52062 1
105 371 ASN . 52062 1
106 372 ASN . 52062 1
107 373 SER . 52062 1
108 374 TYR . 52062 1
109 375 SER . 52062 1
110 376 GLY . 52062 1
111 377 SER . 52062 1
112 378 ASN . 52062 1
113 379 SER . 52062 1
114 380 GLY . 52062 1
115 381 ALA . 52062 1
116 382 ALA . 52062 1
117 383 ILE . 52062 1
118 384 GLY . 52062 1
119 385 TRP . 52062 1
120 386 GLY . 52062 1
121 387 SER . 52062 1
122 388 ALA . 52062 1
123 389 SER . 52062 1
124 390 ASN . 52062 1
125 391 ALA . 52062 1
126 392 GLY . 52062 1
127 393 SER . 52062 1
128 394 GLY . 52062 1
129 395 SER . 52062 1
130 396 GLY . 52062 1
131 397 PHE . 52062 1
132 398 ASN . 52062 1
133 399 GLY . 52062 1
134 400 GLY . 52062 1
135 401 PHE . 52062 1
136 402 GLY . 52062 1
137 403 SER . 52062 1
138 404 SER . 52062 1
139 405 ALA . 52062 1
140 406 ASP . 52062 1
141 407 SER . 52062 1
142 408 LYS . 52062 1
143 409 SER . 52062 1
144 410 SER . 52062 1
145 411 GLY . 52062 1
146 412 TRP . 52062 1
147 413 GLY . 52062 1
148 414 ALA . 52062 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ASN 1 1 52062 1
. ARG 2 2 52062 1
. GLN 3 3 52062 1
. LEU 4 4 52062 1
. GLU 5 5 52062 1
. ARG 6 6 52062 1
. SER 7 7 52062 1
. GLY 8 8 52062 1
. ARG 9 9 52062 1
. PHE 10 10 52062 1
. GLY 11 11 52062 1
. GLY 12 12 52062 1
. ASN 13 13 52062 1
. PRO 14 14 52062 1
. GLY 15 15 52062 1
. GLY 16 16 52062 1
. PHE 17 17 52062 1
. GLY 18 18 52062 1
. ASN 19 19 52062 1
. GLN 20 20 52062 1
. GLY 21 21 52062 1
. GLY 22 22 52062 1
. PHE 23 23 52062 1
. GLY 24 24 52062 1
. ASN 25 25 52062 1
. SER 26 26 52062 1
. ARG 27 27 52062 1
. GLY 28 28 52062 1
. GLY 29 29 52062 1
. GLY 30 30 52062 1
. ALA 31 31 52062 1
. GLY 32 32 52062 1
. LEU 33 33 52062 1
. GLY 34 34 52062 1
. ASN 35 35 52062 1
. ASN 36 36 52062 1
. GLN 37 37 52062 1
. GLY 38 38 52062 1
. SER 39 39 52062 1
. ASN 40 40 52062 1
. ALA 41 41 52062 1
. GLY 42 42 52062 1
. GLY 43 43 52062 1
. GLY 44 44 52062 1
. ALA 45 45 52062 1
. ASN 46 46 52062 1
. PHE 47 47 52062 1
. GLY 48 48 52062 1
. ALA 49 49 52062 1
. PHE 50 50 52062 1
. SER 51 51 52062 1
. ILE 52 52 52062 1
. ASN 53 53 52062 1
. PRO 54 54 52062 1
. ALA 55 55 52062 1
. MET 56 56 52062 1
. MET 57 57 52062 1
. ALA 58 58 52062 1
. ALA 59 59 52062 1
. ALA 60 60 52062 1
. GLN 61 61 52062 1
. ALA 62 62 52062 1
. ALA 63 63 52062 1
. LEU 64 64 52062 1
. GLN 65 65 52062 1
. SER 66 66 52062 1
. SER 67 67 52062 1
. TRP 68 68 52062 1
. GLY 69 69 52062 1
. MET 70 70 52062 1
. MET 71 71 52062 1
. GLY 72 72 52062 1
. MET 73 73 52062 1
. LEU 74 74 52062 1
. ALA 75 75 52062 1
. SER 76 76 52062 1
. GLN 77 77 52062 1
. GLN 78 78 52062 1
. ASN 79 79 52062 1
. GLN 80 80 52062 1
. SER 81 81 52062 1
. GLY 82 82 52062 1
. PRO 83 83 52062 1
. SER 84 84 52062 1
. GLY 85 85 52062 1
. ASN 86 86 52062 1
. ASN 87 87 52062 1
. GLN 88 88 52062 1
. ASN 89 89 52062 1
. GLN 90 90 52062 1
. GLY 91 91 52062 1
. ASN 92 92 52062 1
. ALA 93 93 52062 1
. GLN 94 94 52062 1
. ARG 95 95 52062 1
. GLU 96 96 52062 1
. PRO 97 97 52062 1
. ASN 98 98 52062 1
. GLN 99 99 52062 1
. ALA 100 100 52062 1
. PHE 101 101 52062 1
. GLY 102 102 52062 1
. SER 103 103 52062 1
. GLY 104 104 52062 1
. ASN 105 105 52062 1
. ASN 106 106 52062 1
. SER 107 107 52062 1
. TYR 108 108 52062 1
. SER 109 109 52062 1
. GLY 110 110 52062 1
. SER 111 111 52062 1
. ASN 112 112 52062 1
. SER 113 113 52062 1
. GLY 114 114 52062 1
. ALA 115 115 52062 1
. ALA 116 116 52062 1
. ILE 117 117 52062 1
. GLY 118 118 52062 1
. TRP 119 119 52062 1
. GLY 120 120 52062 1
. SER 121 121 52062 1
. ALA 122 122 52062 1
. SER 123 123 52062 1
. ASN 124 124 52062 1
. ALA 125 125 52062 1
. GLY 126 126 52062 1
. SER 127 127 52062 1
. GLY 128 128 52062 1
. SER 129 129 52062 1
. GLY 130 130 52062 1
. PHE 131 131 52062 1
. ASN 132 132 52062 1
. GLY 133 133 52062 1
. GLY 134 134 52062 1
. PHE 135 135 52062 1
. GLY 136 136 52062 1
. SER 137 137 52062 1
. SER 138 138 52062 1
. ALA 139 139 52062 1
. ASP 140 140 52062 1
. SER 141 141 52062 1
. LYS 142 142 52062 1
. SER 143 143 52062 1
. SER 144 144 52062 1
. GLY 145 145 52062 1
. TRP 146 146 52062 1
. GLY 147 147 52062 1
. ALA 148 148 52062 1
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 52062
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52062 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 52062
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pJ411 . . . 52062 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52062
_Sample.ID 1
_Sample.Name '20 uM 5M to A IDR TDP-43 CTD mutant'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 '5M to A IDR TDP-43 mutant' '[U-100% 15N]' . . 1 $entity_1 . . 20 . . uM . . . . 52062 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 52062
_Sample_condition_list.ID 1
_Sample_condition_list.Name '20 uM 5M to A IDR TDP-43 CTD mutant'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0 . M 52062 1
pH 6.1 . pH 52062 1
pressure 1 . atm 52062 1
temperature 298 . K 52062 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52062
_Software.ID 1
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52062 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52062
_Software.ID 2
_Software.Type .
_Software.Name CcpNMR
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52062 2
'data analysis' . 52062 2
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 52062
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker Avance 850 MHz'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 850
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52062
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52062 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 52062
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name Water
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52062 1
N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 52062 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52062
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '5M to A IDR TDP-43 CTD mutant'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 52062 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52062 1
2 $software_2 . . 52062 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 44 44 GLY H H 1 8.312 . . . . . . . . 310 G HN . 52062 1
2 . 1 . 1 44 44 GLY N N 15 108.820 . . . . . . . . 310 G N . 52062 1
3 . 1 . 1 45 45 ALA H H 1 8.175 . . . . . . . . 311 A HN . 52062 1
4 . 1 . 1 45 45 ALA N N 15 119.372 . . . . . . . . 311 A N . 52062 1
5 . 1 . 1 46 46 ASN H H 1 8.299 . . . . . . . . 312 N HN . 52062 1
6 . 1 . 1 46 46 ASN N N 15 119.151 . . . . . . . . 312 N N . 52062 1
7 . 1 . 1 47 47 PHE H H 1 8.156 . . . . . . . . 313 F HN . 52062 1
8 . 1 . 1 47 47 PHE N N 15 120.589 . . . . . . . . 313 F N . 52062 1
9 . 1 . 1 48 48 GLY H H 1 8.302 . . . . . . . . 314 G HN . 52062 1
10 . 1 . 1 48 48 GLY N N 15 109.932 . . . . . . . . 314 G N . 52062 1
11 . 1 . 1 49 49 ALA H H 1 8.007 . . . . . . . . 315 A HN . 52062 1
12 . 1 . 1 49 49 ALA N N 15 123.604 . . . . . . . . 315 A N . 52062 1
13 . 1 . 1 50 50 PHE H H 1 8.077 . . . . . . . . 316 F HN . 52062 1
14 . 1 . 1 50 50 PHE N N 15 118.345 . . . . . . . . 316 F N . 52062 1
15 . 1 . 1 51 51 SER H H 1 8.037 . . . . . . . . 317 S HN . 52062 1
16 . 1 . 1 51 51 SER N N 15 116.794 . . . . . . . . 317 S N . 52062 1
17 . 1 . 1 52 52 ILE H H 1 8.030 . . . . . . . . 318 I HN . 52062 1
18 . 1 . 1 52 52 ILE N N 15 121.557 . . . . . . . . 318 I N . 52062 1
19 . 1 . 1 53 53 ASN H H 1 8.297 . . . . . . . . 319 N HN . 52062 1
20 . 1 . 1 53 53 ASN N N 15 123.504 . . . . . . . . 319 N N . 52062 1
21 . 1 . 1 55 55 ALA H H 1 8.141 . . . . . . . . 321 A HN . 52062 1
22 . 1 . 1 55 55 ALA N N 15 121.337 . . . . . . . . 321 A N . 52062 1
23 . 1 . 1 56 56 MET H H 1 7.976 . . . . . . . . 322 M HN . 52062 1
24 . 1 . 1 56 56 MET N N 15 118.149 . . . . . . . . 322 M N . 52062 1
25 . 1 . 1 57 57 MET H H 1 7.994 . . . . . . . . 323 M HN . 52062 1
26 . 1 . 1 57 57 MET N N 15 120.445 . . . . . . . . 323 M N . 52062 1
27 . 1 . 1 58 58 ALA H H 1 8.189 . . . . . . . . 324 A HN . 52062 1
28 . 1 . 1 58 58 ALA N N 15 123.592 . . . . . . . . 324 A N . 52062 1
29 . 1 . 1 59 59 ALA H H 1 8.081 . . . . . . . . 325 A HN . 52062 1
30 . 1 . 1 59 59 ALA N N 15 122.175 . . . . . . . . 325 A N . 52062 1
31 . 1 . 1 60 60 ALA H H 1 8.062 . . . . . . . . 326 A HN . 52062 1
32 . 1 . 1 60 60 ALA N N 15 122.013 . . . . . . . . 326 A N . 52062 1
33 . 1 . 1 61 61 GLN H H 1 8.070 . . . . . . . . 327 Q HN . 52062 1
34 . 1 . 1 61 61 GLN N N 15 118.200 . . . . . . . . 327 Q N . 52062 1
35 . 1 . 1 62 62 ALA H H 1 8.081 . . . . . . . . 328 A HN . 52062 1
36 . 1 . 1 62 62 ALA N N 15 123.270 . . . . . . . . 328 A N . 52062 1
37 . 1 . 1 63 63 ALA H H 1 7.938 . . . . . . . . 329 A HN . 52062 1
38 . 1 . 1 63 63 ALA N N 15 121.225 . . . . . . . . 329 A N . 52062 1
39 . 1 . 1 64 64 LEU H H 1 7.846 . . . . . . . . 330 L HN . 52062 1
40 . 1 . 1 64 64 LEU N N 15 119.884 . . . . . . . . 330 L N . 52062 1
41 . 1 . 1 65 65 GLN H H 1 8.065 . . . . . . . . 331 Q HN . 52062 1
42 . 1 . 1 65 65 GLN N N 15 119.268 . . . . . . . . 331 Q N . 52062 1
43 . 1 . 1 66 66 SER H H 1 8.133 . . . . . . . . 332 S HN . 52062 1
44 . 1 . 1 66 66 SER N N 15 115.569 . . . . . . . . 332 S N . 52062 1
45 . 1 . 1 67 67 SER H H 1 8.134 . . . . . . . . 333 S HN . 52062 1
46 . 1 . 1 67 67 SER N N 15 117.216 . . . . . . . . 333 S N . 52062 1
47 . 1 . 1 68 68 TRP H H 1 8.044 . . . . . . . . 334 W HN . 52062 1
48 . 1 . 1 68 68 TRP N N 15 122.459 . . . . . . . . 334 W N . 52062 1
49 . 1 . 1 69 69 GLY H H 1 8.187 . . . . . . . . 335 G HN . 52062 1
50 . 1 . 1 69 69 GLY N N 15 109.356 . . . . . . . . 335 G N . 52062 1
51 . 1 . 1 70 70 MET H H 1 8.064 . . . . . . . . 336 M HN . 52062 1
52 . 1 . 1 70 70 MET N N 15 119.568 . . . . . . . . 336 M N . 52062 1
53 . 1 . 1 71 71 MET H H 1 8.286 . . . . . . . . 337 M HN . 52062 1
54 . 1 . 1 71 71 MET N N 15 119.806 . . . . . . . . 337 M N . 52062 1
55 . 1 . 1 72 72 GLY H H 1 8.280 . . . . . . . . 338 G HN . 52062 1
56 . 1 . 1 72 72 GLY N N 15 109.117 . . . . . . . . 338 G N . 52062 1
57 . 1 . 1 73 73 MET H H 1 8.066 . . . . . . . . 339 M HN . 52062 1
58 . 1 . 1 73 73 MET N N 15 119.714 . . . . . . . . 339 M N . 52062 1
59 . 1 . 1 74 74 LEU H H 1 8.175 . . . . . . . . 340 L HN . 52062 1
60 . 1 . 1 74 74 LEU N N 15 122.380 . . . . . . . . 340 L N . 52062 1
61 . 1 . 1 75 75 ALA H H 1 8.219 . . . . . . . . 341 A HN . 52062 1
62 . 1 . 1 75 75 ALA N N 15 124.119 . . . . . . . . 341 A N . 52062 1
63 . 1 . 1 76 76 SER H H 1 8.101 . . . . . . . . 342 S HN . 52062 1
64 . 1 . 1 76 76 SER N N 15 113.795 . . . . . . . . 342 S N . 52062 1
65 . 1 . 1 77 77 GLN H H 1 8.212 . . . . . . . . 343 Q HN . 52062 1
66 . 1 . 1 77 77 GLN N N 15 121.447 . . . . . . . . 343 Q N . 52062 1
67 . 1 . 1 78 78 GLN H H 1 8.247 . . . . . . . . 344 Q HN . 52062 1
68 . 1 . 1 78 78 GLN N N 15 120.356 . . . . . . . . 344 Q N . 52062 1
69 . 1 . 1 79 79 ASN H H 1 8.415 . . . . . . . . 345 N HN . 52062 1
70 . 1 . 1 79 79 ASN N N 15 119.267 . . . . . . . . 345 N N . 52062 1
71 . 1 . 1 80 80 GLN H H 1 8.375 . . . . . . . . 346 Q HN . 52062 1
72 . 1 . 1 80 80 GLN N N 15 120.709 . . . . . . . . 346 Q N . 52062 1
73 . 1 . 1 81 81 SER H H 1 8.357 . . . . . . . . 347 S HN . 52062 1
74 . 1 . 1 81 81 SER N N 15 116.684 . . . . . . . . 347 S N . 52062 1
75 . 1 . 1 82 82 GLY H H 1 8.209 . . . . . . . . 348 G HN . 52062 1
76 . 1 . 1 82 82 GLY N N 15 110.502 . . . . . . . . 348 G N . 52062 1
77 . 1 . 1 84 84 SER H H 1 8.468 . . . . . . . . 350 S HN . 52062 1
78 . 1 . 1 84 84 SER N N 15 115.915 . . . . . . . . 350 S N . 52062 1
stop_
save_