###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52060
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'NMR chemical shift of 310-350 5M to A in TDP-43 Mutant'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 52060 1
2 '3D CBCA(CO)NH' . . . 52060 1
4 '3D CBCACONH' . . . 52060 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52060 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 47 47 GLY H H 1 8.311 . . . . . . . . 310 G HN . 52060 1
2 . 1 . 1 47 47 GLY CA C 13 45.299 . . . . . . . . 310 G CA . 52060 1
3 . 1 . 1 47 47 GLY N N 15 108.781 . . . . . . . . 310 G N . 52060 1
4 . 1 . 1 48 48 MET H H 1 8.204 . . . . . . . . 311 M HN . 52060 1
5 . 1 . 1 48 48 MET CA C 13 55.483 . . . . . . . . 311 M CA . 52060 1
6 . 1 . 1 48 48 MET CB C 13 32.882 . . . . . . . . 311 M CB . 52060 1
7 . 1 . 1 48 48 MET N N 15 119.399 . . . . . . . . 311 M N . 52060 1
8 . 1 . 1 49 49 ASN H H 1 8.347 . . . . . . . . 312 N HN . 52060 1
9 . 1 . 1 49 49 ASN CA C 13 53.047 . . . . . . . . 312 N CA . 52060 1
10 . 1 . 1 49 49 ASN CB C 13 38.796 . . . . . . . . 312 N CB . 52060 1
11 . 1 . 1 49 49 ASN N N 15 119.407 . . . . . . . . 312 N N . 52060 1
12 . 1 . 1 50 50 PHE H H 1 8.222 . . . . . . . . 313 F HN . 52060 1
13 . 1 . 1 50 50 PHE CA C 13 58.180 . . . . . . . . 313 F CA . 52060 1
14 . 1 . 1 50 50 PHE CB C 13 39.178 . . . . . . . . 313 F CB . 52060 1
15 . 1 . 1 50 50 PHE N N 15 120.861 . . . . . . . . 313 F N . 52060 1
16 . 1 . 1 51 51 GLY H H 1 8.303 . . . . . . . . 314 G HN . 52060 1
17 . 1 . 1 51 51 GLY CA C 13 45.431 . . . . . . . . 314 G CA . 52060 1
18 . 1 . 1 51 51 GLY N N 15 110.042 . . . . . . . . 314 G N . 52060 1
19 . 1 . 1 52 52 ALA H H 1 8.017 . . . . . . . . 315 A HN . 52060 1
20 . 1 . 1 52 52 ALA CA C 13 52.705 . . . . . . . . 315 A CA . 52060 1
21 . 1 . 1 52 52 ALA CB C 13 19.056 . . . . . . . . 315 A CB . 52060 1
22 . 1 . 1 52 52 ALA N N 15 123.597 . . . . . . . . 315 A N . 52060 1
23 . 1 . 1 53 53 PHE H H 1 8.080 . . . . . . . . 316 F HN . 52060 1
24 . 1 . 1 53 53 PHE CA C 13 57.587 . . . . . . . . 316 F CA . 52060 1
25 . 1 . 1 53 53 PHE CB C 13 39.525 . . . . . . . . 316 F CB . 52060 1
26 . 1 . 1 53 53 PHE N N 15 118.363 . . . . . . . . 316 F N . 52060 1
27 . 1 . 1 54 54 SER H H 1 8.046 . . . . . . . . 317 S HN . 52060 1
28 . 1 . 1 54 54 SER CA C 13 58.222 . . . . . . . . 317 S CA . 52060 1
29 . 1 . 1 54 54 SER CB C 13 64.096 . . . . . . . . 317 S CB . 52060 1
30 . 1 . 1 54 54 SER N N 15 116.757 . . . . . . . . 317 S N . 52060 1
31 . 1 . 1 55 55 ILE H H 1 8.058 . . . . . . . . 318 I HN . 52060 1
32 . 1 . 1 55 55 ILE CA C 13 61.089 . . . . . . . . 318 I CA . 52060 1
33 . 1 . 1 55 55 ILE CB C 13 38.881 . . . . . . . . 318 I CB . 52060 1
34 . 1 . 1 55 55 ILE N N 15 121.685 . . . . . . . . 318 I N . 52060 1
35 . 1 . 1 56 56 ASN H H 1 8.410 . . . . . . . . 319 N HN . 52060 1
36 . 1 . 1 56 56 ASN CA C 13 51.116 . . . . . . . . 319 N CA . 52060 1
37 . 1 . 1 56 56 ASN CB C 13 38.821 . . . . . . . . 319 N CB . 52060 1
38 . 1 . 1 56 56 ASN N N 15 123.190 . . . . . . . . 319 N N . 52060 1
39 . 1 . 1 57 57 PRO CA C 13 64.361 . . . . . . . . 320 P CA . 52060 1
40 . 1 . 1 57 57 PRO CB C 13 31.995 . . . . . . . . 320 P CB . 52060 1
41 . 1 . 1 58 58 ALA H H 1 8.150 . . . . . . . . 321 A HN . 52060 1
42 . 1 . 1 58 58 ALA CA C 13 53.512 . . . . . . . . 321 A CA . 52060 1
43 . 1 . 1 58 58 ALA CB C 13 18.551 . . . . . . . . 321 A CB . 52060 1
44 . 1 . 1 58 58 ALA N N 15 121.863 . . . . . . . . 321 A N . 52060 1
45 . 1 . 1 59 59 ALA H H 1 7.907 . . . . . . . . 322 A HN . 52060 1
46 . 1 . 1 59 59 ALA CA C 13 53.452 . . . . . . . . 322 A CA . 52060 1
47 . 1 . 1 59 59 ALA CB C 13 18.650 . . . . . . . . 322 A CB . 52060 1
48 . 1 . 1 59 59 ALA N N 15 122.552 . . . . . . . . 322 A N . 52060 1
49 . 1 . 1 60 60 ALA H H 1 8.092 . . . . . . . . 323 A HN . 52060 1
50 . 1 . 1 60 60 ALA CA C 13 53.708 . . . . . . . . 323 A CA . 52060 1
51 . 1 . 1 60 60 ALA CB C 13 18.461 . . . . . . . . 323 A CB . 52060 1
52 . 1 . 1 60 60 ALA N N 15 121.966 . . . . . . . . 323 A N . 52060 1
53 . 1 . 1 61 61 ALA H H 1 8.094 . . . . . . . . 324 A HN . 52060 1
54 . 1 . 1 61 61 ALA CA C 13 53.637 . . . . . . . . 324 A CA . 52060 1
55 . 1 . 1 61 61 ALA CB C 13 18.599 . . . . . . . . 324 A CB . 52060 1
56 . 1 . 1 61 61 ALA N N 15 122.572 . . . . . . . . 324 A N . 52060 1
57 . 1 . 1 62 62 ALA H H 1 8.023 . . . . . . . . 325 A HN . 52060 1
58 . 1 . 1 62 62 ALA CA C 13 53.678 . . . . . . . . 325 A CA . 52060 1
59 . 1 . 1 62 62 ALA CB C 13 18.526 . . . . . . . . 325 A CB . 52060 1
60 . 1 . 1 62 62 ALA N N 15 122.161 . . . . . . . . 325 A N . 52060 1
61 . 1 . 1 63 63 ALA H H 1 8.025 . . . . . . . . 326 A HN . 52060 1
62 . 1 . 1 63 63 ALA CA C 13 53.658 . . . . . . . . 326 A CA . 52060 1
63 . 1 . 1 63 63 ALA CB C 13 18.510 . . . . . . . . 326 A CB . 52060 1
64 . 1 . 1 63 63 ALA N N 15 122.125 . . . . . . . . 326 A N . 52060 1
65 . 1 . 1 64 64 GLN H H 1 8.049 . . . . . . . . 327 Q HN . 52060 1
66 . 1 . 1 64 64 GLN CA C 13 57.095 . . . . . . . . 327 Q CA . 52060 1
67 . 1 . 1 64 64 GLN CB C 13 28.823 . . . . . . . . 327 Q CB . 52060 1
68 . 1 . 1 64 64 GLN N N 15 118.412 . . . . . . . . 327 Q N . 52060 1
69 . 1 . 1 65 65 ALA H H 1 8.083 . . . . . . . . 328 A HN . 52060 1
70 . 1 . 1 65 65 ALA CA C 13 53.611 . . . . . . . . 328 A CA . 52060 1
71 . 1 . 1 65 65 ALA CB C 13 18.426 . . . . . . . . 328 A CB . 52060 1
72 . 1 . 1 65 65 ALA N N 15 123.426 . . . . . . . . 328 A N . 52060 1
73 . 1 . 1 66 66 ALA H H 1 7.958 . . . . . . . . 329 A HN . 52060 1
74 . 1 . 1 66 66 ALA CA C 13 53.234 . . . . . . . . 329 A CA . 52060 1
75 . 1 . 1 66 66 ALA CB C 13 18.591 . . . . . . . . 329 A CB . 52060 1
76 . 1 . 1 66 66 ALA N N 15 121.415 . . . . . . . . 329 A N . 52060 1
77 . 1 . 1 67 67 LEU H H 1 7.875 . . . . . . . . 330 L HN . 52060 1
78 . 1 . 1 67 67 LEU CA C 13 55.886 . . . . . . . . 330 L CA . 52060 1
79 . 1 . 1 67 67 LEU CB C 13 42.238 . . . . . . . . 330 L CB . 52060 1
80 . 1 . 1 67 67 LEU N N 15 120.067 . . . . . . . . 330 L N . 52060 1
81 . 1 . 1 68 68 GLN H H 1 8.095 . . . . . . . . 331 Q HN . 52060 1
82 . 1 . 1 68 68 GLN CA C 13 56.426 . . . . . . . . 331 Q CA . 52060 1
83 . 1 . 1 68 68 GLN CB C 13 28.992 . . . . . . . . 331 Q CB . 52060 1
84 . 1 . 1 68 68 GLN N N 15 119.545 . . . . . . . . 331 Q N . 52060 1
85 . 1 . 1 69 69 SER H H 1 8.156 . . . . . . . . 332 S HN . 52060 1
86 . 1 . 1 69 69 SER CA C 13 58.915 . . . . . . . . 332 S CA . 52060 1
87 . 1 . 1 69 69 SER CB C 13 63.780 . . . . . . . . 332 S CB . 52060 1
88 . 1 . 1 69 69 SER N N 15 115.834 . . . . . . . . 332 S N . 52060 1
89 . 1 . 1 70 70 SER H H 1 8.135 . . . . . . . . 333 S HN . 52060 1
90 . 1 . 1 70 70 SER CA C 13 58.867 . . . . . . . . 333 S CA . 52060 1
91 . 1 . 1 70 70 SER CB C 13 63.784 . . . . . . . . 333 S CB . 52060 1
92 . 1 . 1 70 70 SER N N 15 117.245 . . . . . . . . 333 S N . 52060 1
93 . 1 . 1 71 71 TRP H H 1 8.060 . . . . . . . . 334 W HN . 52060 1
94 . 1 . 1 71 71 TRP CA C 13 57.642 . . . . . . . . 334 W CA . 52060 1
95 . 1 . 1 71 71 TRP CB C 13 29.473 . . . . . . . . 334 W CB . 52060 1
96 . 1 . 1 71 71 TRP N N 15 122.601 . . . . . . . . 334 W N . 52060 1
97 . 1 . 1 72 72 GLY H H 1 8.153 . . . . . . . . 335 G HN . 52060 1
98 . 1 . 1 72 72 GLY CA C 13 45.442 . . . . . . . . 335 G CA . 52060 1
99 . 1 . 1 72 72 GLY N N 15 109.985 . . . . . . . . 335 G N . 52060 1
100 . 1 . 1 73 73 ALA H H 1 8.053 . . . . . . . . 336 A HN . 52060 1
101 . 1 . 1 73 73 ALA CA C 13 52.820 . . . . . . . . 336 A CA . 52060 1
102 . 1 . 1 73 73 ALA CB C 13 19.043 . . . . . . . . 336 A CB . 52060 1
103 . 1 . 1 73 73 ALA N N 15 123.897 . . . . . . . . 336 A N . 52060 1
104 . 1 . 1 74 74 ALA H H 1 8.275 . . . . . . . . 337 A HN . 52060 1
105 . 1 . 1 74 74 ALA CA C 13 52.977 . . . . . . . . 337 A CA . 52060 1
106 . 1 . 1 74 74 ALA CB C 13 18.994 . . . . . . . . 337 A CB . 52060 1
107 . 1 . 1 74 74 ALA N N 15 122.453 . . . . . . . . 337 A N . 52060 1
108 . 1 . 1 75 75 GLY H H 1 8.219 . . . . . . . . 338 G HN . 52060 1
109 . 1 . 1 75 75 GLY CA C 13 45.419 . . . . . . . . 338 G CA . 52060 1
110 . 1 . 1 75 75 GLY N N 15 107.703 . . . . . . . . 338 G N . 52060 1
111 . 1 . 1 76 76 ALA H H 1 8.034 . . . . . . . . 339 A HN . 52060 1
112 . 1 . 1 76 76 ALA CA C 13 52.920 . . . . . . . . 339 A CA . 52060 1
113 . 1 . 1 76 76 ALA CB C 13 19.023 . . . . . . . . 339 A CB . 52060 1
114 . 1 . 1 76 76 ALA N N 15 123.556 . . . . . . . . 339 A N . 52060 1
115 . 1 . 1 77 77 LEU H H 1 8.102 . . . . . . . . 340 L HN . 52060 1
116 . 1 . 1 77 77 LEU CA C 13 55.471 . . . . . . . . 340 L CA . 52060 1
117 . 1 . 1 77 77 LEU CB C 13 42.254 . . . . . . . . 340 L CB . 52060 1
118 . 1 . 1 77 77 LEU N N 15 120.562 . . . . . . . . 340 L N . 52060 1
119 . 1 . 1 78 78 ALA H H 1 8.161 . . . . . . . . 341 A HN . 52060 1
120 . 1 . 1 78 78 ALA CA C 13 53.060 . . . . . . . . 341 A CA . 52060 1
121 . 1 . 1 78 78 ALA CB C 13 18.939 . . . . . . . . 341 A CB . 52060 1
122 . 1 . 1 78 78 ALA N N 15 124.056 . . . . . . . . 341 A N . 52060 1
123 . 1 . 1 79 79 SER H H 1 8.114 . . . . . . . . 342 S HN . 52060 1
124 . 1 . 1 79 79 SER CA C 13 58.727 . . . . . . . . 342 S CA . 52060 1
125 . 1 . 1 79 79 SER CB C 13 63.780 . . . . . . . . 342 S CB . 52060 1
126 . 1 . 1 79 79 SER N N 15 113.956 . . . . . . . . 342 S N . 52060 1
127 . 1 . 1 80 80 GLN H H 1 8.240 . . . . . . . . 343 Q HN . 52060 1
128 . 1 . 1 80 80 GLN CA C 13 56.175 . . . . . . . . 343 Q CA . 52060 1
129 . 1 . 1 80 80 GLN CB C 13 29.243 . . . . . . . . 343 Q CB . 52060 1
130 . 1 . 1 80 80 GLN N N 15 121.556 . . . . . . . . 343 Q N . 52060 1
131 . 1 . 1 81 81 GLN H H 1 8.286 . . . . . . . . 344 Q HN . 52060 1
132 . 1 . 1 81 81 GLN CA C 13 56.167 . . . . . . . . 344 Q CA . 52060 1
133 . 1 . 1 81 81 GLN CB C 13 29.334 . . . . . . . . 344 Q CB . 52060 1
134 . 1 . 1 81 81 GLN N N 15 120.471 . . . . . . . . 344 Q N . 52060 1
135 . 1 . 1 82 82 ASN H H 1 8.428 . . . . . . . . 345 N HN . 52060 1
136 . 1 . 1 82 82 ASN CA C 13 53.448 . . . . . . . . 345 N CA . 52060 1
137 . 1 . 1 82 82 ASN CB C 13 38.814 . . . . . . . . 345 N CB . 52060 1
138 . 1 . 1 82 82 ASN N N 15 119.329 . . . . . . . . 345 N N . 52060 1
139 . 1 . 1 83 83 GLN H H 1 8.383 . . . . . . . . 346 Q HN . 52060 1
140 . 1 . 1 83 83 GLN CA C 13 56.057 . . . . . . . . 346 Q CA . 52060 1
141 . 1 . 1 83 83 GLN CB C 13 29.372 . . . . . . . . 346 Q CB . 52060 1
142 . 1 . 1 83 83 GLN N N 15 120.725 . . . . . . . . 346 Q N . 52060 1
143 . 1 . 1 84 84 SER H H 1 8.362 . . . . . . . . 347 S HN . 52060 1
144 . 1 . 1 84 84 SER CA C 13 58.483 . . . . . . . . 347 S CA . 52060 1
145 . 1 . 1 84 84 SER CB C 13 64.118 . . . . . . . . 347 S CB . 52060 1
146 . 1 . 1 84 84 SER N N 15 116.697 . . . . . . . . 347 S N . 52060 1
147 . 1 . 1 85 85 GLY H H 1 8.213 . . . . . . . . 348 G HN . 52060 1
148 . 1 . 1 85 85 GLY CA C 13 44.722 . . . . . . . . 348 G CA . 52060 1
149 . 1 . 1 85 85 GLY N N 15 110.515 . . . . . . . . 348 G N . 52060 1
150 . 1 . 1 86 86 PRO CA C 13 63.504 . . . . . . . . 349 P CA . 52060 1
151 . 1 . 1 86 86 PRO CB C 13 32.068 . . . . . . . . 349 P CB . 52060 1
152 . 1 . 1 87 87 SER H H 1 8.465 . . . . . . . . 350 S HN . 52060 1
153 . 1 . 1 87 87 SER CA C 13 58.562 . . . . . . . . 350 S CA . 52060 1
154 . 1 . 1 87 87 SER CB C 13 64.113 . . . . . . . . 350 S CB . 52060 1
155 . 1 . 1 87 87 SER N N 15 115.914 . . . . . . . . 350 S N . 52060 1
stop_
save_