Content for NMR-STAR saveframe, assigned_chemical_shifts_1
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 52405
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name MrREM22
_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' . . . 52405 1
2 '2D 1H-1H TOCSY' . . . 52405 1
3 '2D 1H-1H NOESY' . . . 52405 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 . . 52405 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 1 1 THR H H 1 8.119 0.002 . 1 . . 1366 . . 1 THR H . 52405 1
2 . 1 . 1 1 1 THR HA H 1 4.177 0.003 . 1 . . 1367 . . 1 THR HA . 52405 1
3 . 1 . 1 1 1 THR HB H 1 4.088 0.006 . 1 . . 1368 . . 1 THR HB . 52405 1
4 . 1 . 1 1 1 THR HG1 H 1 5.239 0.003 . 1 . . 1396 . . 1 THR HG1 . 52405 1
5 . 1 . 1 1 1 THR HG21 H 1 1.106 0.005 . 1 . . 1365 . . 1 THR HG21 . 52405 1
6 . 1 . 1 1 1 THR HG22 H 1 1.106 0.005 . 1 . . 1365 . . 1 THR HG22 . 52405 1
7 . 1 . 1 1 1 THR HG23 H 1 1.106 0.005 . 1 . . 1365 . . 1 THR HG23 . 52405 1
8 . 1 . 1 2 2 ARG H H 1 8.835 0.002 . 1 . . 1276 . . 2 ARG H . 52405 1
9 . 1 . 1 2 2 ARG HA H 1 4.255 0.005 . 1 . . 1278 . . 2 ARG HA . 52405 1
10 . 1 . 1 2 2 ARG HB2 H 1 1.661 0.001 . 2 . . 1392 . . 2 ARG HB2 . 52405 1
11 . 1 . 1 2 2 ARG HB3 H 1 1.732 0.005 . 2 . . 1393 . . 2 ARG HB3 . 52405 1
12 . 1 . 1 2 2 ARG HG2 H 1 1.542 0.012 . 1 . . 1391 . . 2 ARG HG2 . 52405 1
13 . 1 . 1 2 2 ARG HD2 H 1 3.100 0.004 . 1 . . 1279 . . 2 ARG HD2 . 52405 1
14 . 1 . 1 2 2 ARG HE H 1 8.375 0.005 . 1 . . 1390 . . 2 ARG HE . 52405 1
15 . 1 . 1 2 2 ARG N N 15 124.173 . . 1 . . 1277 . . 2 ARG N . 52405 1
16 . 1 . 1 3 3 GLY H H 1 8.308 0.002 . 1 . . 1286 . . 3 GLY H . 52405 1
17 . 1 . 1 3 3 GLY HA2 H 1 3.834 0.002 . 1 . . 1285 . . 3 GLY HA2 . 52405 1
18 . 1 . 1 3 3 GLY N N 15 110.509 . . 1 . . 1287 . . 3 GLY N . 52405 1
19 . 1 . 1 4 4 TYR H H 1 8.065 0.005 . 1 . . 1327 . . 4 TYR H . 52405 1
20 . 1 . 1 4 4 TYR HA H 1 4.451 0.005 . 1 . . 1326 . . 4 TYR HA . 52405 1
21 . 1 . 1 4 4 TYR HB2 H 1 2.881 0.003 . 2 . . 1355 . . 4 TYR HB2 . 52405 1
22 . 1 . 1 4 4 TYR HB3 H 1 2.830 0.011 . 2 . . 1356 . . 4 TYR HB3 . 52405 1
23 . 1 . 1 4 4 TYR HD1 H 1 6.990 0.002 . 1 . . 1353 . . 4 TYR HD1 . 52405 1
24 . 1 . 1 4 4 TYR HD2 H 1 6.990 0.002 . 1 . . 1353 . . 4 TYR HD2 . 52405 1
25 . 1 . 1 4 4 TYR HE1 H 1 6.708 0.005 . 1 . . 1354 . . 4 TYR HE1 . 52405 1
26 . 1 . 1 4 4 TYR HE2 H 1 6.708 0.005 . 1 . . 1354 . . 4 TYR HE2 . 52405 1
27 . 1 . 1 4 4 TYR N N 15 120.657 . . 1 . . 1388 . . 4 TYR N . 52405 1
28 . 1 . 1 5 5 GLN H H 1 8.098 0.008 . 1 . . 1357 . . 5 GLN H . 52405 1
29 . 1 . 1 5 5 GLN HA H 1 4.462 0.008 . 1 . . 1361 . . 5 GLN HA . 52405 1
30 . 1 . 1 5 5 GLN HB2 H 1 2.191 0.004 . 1 . . 1362 . . 5 GLN HB2 . 52405 1
31 . 1 . 1 5 5 GLN HG2 H 1 1.733 0.008 . 2 . . 1359 . . 5 GLN HG2 . 52405 1
32 . 1 . 1 5 5 GLN HG3 H 1 1.874 0.004 . 2 . . 1360 . . 5 GLN HG3 . 52405 1
33 . 1 . 1 5 5 GLN HE21 H 1 6.749 0.009 . 1 . . 1369 . . 5 GLN HE21 . 52405 1
34 . 1 . 1 5 5 GLN HE22 H 1 7.376 0.014 . 1 . . 1370 . . 5 GLN HE22 . 52405 1
35 . 1 . 1 5 5 GLN N N 15 125.338 . . 1 . . 1358 . . 5 GLN N . 52405 1
36 . 1 . 1 5 5 GLN NE2 N 15 112.335 0.023 . 1 . . 1371 . . 5 GLN NE2 . 52405 1
37 . 1 . 1 6 6 PRO HA H 1 4.218 0.006 . 1 . . 1320 . . 6 PRO HA . 52405 1
38 . 1 . 1 6 6 PRO HB2 H 1 2.194 0.003 . 2 . . 1321 . . 6 PRO HB2 . 52405 1
39 . 1 . 1 6 6 PRO HB3 H 1 1.783 0.006 . 2 . . 1325 . . 6 PRO HB3 . 52405 1
40 . 1 . 1 6 6 PRO HG2 H 1 1.882 0.005 . 1 . . 1322 . . 6 PRO HG2 . 52405 1
41 . 1 . 1 6 6 PRO HD2 H 1 3.490 0.004 . 2 . . 1323 . . 6 PRO HD2 . 52405 1
42 . 1 . 1 6 6 PRO HD3 H 1 3.426 0.005 . 2 . . 1324 . . 6 PRO HD3 . 52405 1
43 . 1 . 1 7 7 ARG H H 1 8.285 0.008 . 1 . . 1302 . . 7 ARG H . 52405 1
44 . 1 . 1 7 7 ARG HA H 1 4.160 0.005 . 1 . . 1303 . . 7 ARG HA . 52405 1
45 . 1 . 1 7 7 ARG HB2 H 1 1.706 0.007 . 2 . . 1306 . . 7 ARG HB2 . 52405 1
46 . 1 . 1 7 7 ARG HB3 H 1 1.663 0.004 . 2 . . 1394 . . 7 ARG HB3 . 52405 1
47 . 1 . 1 7 7 ARG HG2 H 1 1.535 0.014 . 1 . . 1307 . . 7 ARG HG2 . 52405 1
48 . 1 . 1 7 7 ARG HD2 H 1 3.085 0.005 . 1 . . 1305 . . 7 ARG HD2 . 52405 1
49 . 1 . 1 7 7 ARG HE H 1 7.066 0.006 . 1 . . 1395 . . 7 ARG HE . 52405 1
50 . 1 . 1 7 7 ARG N N 15 121.241 . . 1 . . 1304 . . 7 ARG N . 52405 1
51 . 1 . 1 8 8 ARG H H 1 8.268 0.003 . 1 . . 1308 . . 8 ARG H . 52405 1
52 . 1 . 1 8 8 ARG HA H 1 4.219 0.008 . 1 . . 1310 . . 8 ARG HA . 52405 1
53 . 1 . 1 8 8 ARG HB2 H 1 1.691 0.009 . 2 . . 1313 . . 8 ARG HB2 . 52405 1
54 . 1 . 1 8 8 ARG HB3 H 1 1.646 0.007 . 2 . . 1389 . . 8 ARG HB3 . 52405 1
55 . 1 . 1 8 8 ARG HG2 H 1 1.496 0.011 . 1 . . 1314 . . 8 ARG HG2 . 52405 1
56 . 1 . 1 8 8 ARG HD2 H 1 3.069 0.003 . 1 . . 1312 . . 8 ARG HD2 . 52405 1
57 . 1 . 1 8 8 ARG HE H 1 7.074 0.004 . 1 . . 1311 . . 8 ARG HE . 52405 1
58 . 1 . 1 8 8 ARG N N 15 122.796 . . 1 . . 1309 . . 8 ARG N . 52405 1
59 . 1 . 1 9 9 LEU H H 1 8.250 0.007 . 1 . . 1315 . . 9 LEU H . 52405 1
60 . 1 . 1 9 9 LEU HA H 1 4.279 0.004 . 1 . . 1316 . . 9 LEU HA . 52405 1
61 . 1 . 1 9 9 LEU HB2 H 1 1.504 0.008 . 1 . . 1397 . . 9 LEU HB2 . 52405 1
62 . 1 . 1 9 9 LEU HD11 H 1 0.752 0.002 . 2 . . 1318 . . 9 LEU HD11 . 52405 1
63 . 1 . 1 9 9 LEU HD12 H 1 0.752 0.002 . 2 . . 1318 . . 9 LEU HD12 . 52405 1
64 . 1 . 1 9 9 LEU HD13 H 1 0.752 0.002 . 2 . . 1318 . . 9 LEU HD13 . 52405 1
65 . 1 . 1 9 9 LEU HD21 H 1 0.810 0.002 . 2 . . 1319 . . 9 LEU HD21 . 52405 1
66 . 1 . 1 9 9 LEU HD22 H 1 0.810 0.002 . 2 . . 1319 . . 9 LEU HD22 . 52405 1
67 . 1 . 1 9 9 LEU HD23 H 1 0.810 0.002 . 2 . . 1319 . . 9 LEU HD23 . 52405 1
68 . 1 . 1 9 9 LEU N N 15 124.307 . . 1 . . 1317 . . 9 LEU N . 52405 1
69 . 1 . 1 10 10 LEU H H 1 8.146 0.004 . 1 . . 1341 . . 10 LEU H . 52405 1
70 . 1 . 1 10 10 LEU HA H 1 4.276 0.007 . 1 . . 1398 . . 10 LEU HA . 52405 1
71 . 1 . 1 10 10 LEU HB2 H 1 1.560 0.012 . 1 . . 1343 . . 10 LEU HB2 . 52405 1
72 . 1 . 1 10 10 LEU HD11 H 1 0.776 0.007 . 2 . . 1340 . . 10 LEU HD11 . 52405 1
73 . 1 . 1 10 10 LEU HD12 H 1 0.776 0.007 . 2 . . 1340 . . 10 LEU HD12 . 52405 1
74 . 1 . 1 10 10 LEU HD13 H 1 0.776 0.007 . 2 . . 1340 . . 10 LEU HD13 . 52405 1
75 . 1 . 1 10 10 LEU HD21 H 1 0.829 0.007 . 2 . . 1342 . . 10 LEU HD21 . 52405 1
76 . 1 . 1 10 10 LEU HD22 H 1 0.829 0.007 . 2 . . 1342 . . 10 LEU HD22 . 52405 1
77 . 1 . 1 10 10 LEU HD23 H 1 0.829 0.007 . 2 . . 1342 . . 10 LEU HD23 . 52405 1
78 . 1 . 1 10 10 LEU N N 15 123.246 . . 1 . . 1344 . . 10 LEU N . 52405 1
79 . 1 . 1 11 11 GLY H H 1 8.269 0.012 . 1 . . 1299 . . 11 GLY H . 52405 1
80 . 1 . 1 11 11 GLY HA2 H 1 3.817 0.008 . 1 . . 1300 . . 11 GLY HA2 . 52405 1
81 . 1 . 1 11 11 GLY N N 15 109.253 . . 1 . . 1301 . . 11 GLY N . 52405 1
82 . 1 . 1 12 12 CYS H H 1 8.021 0.005 . 1 . . 1328 . . 12 CYS H . 52405 1
83 . 1 . 1 12 12 CYS HA H 1 4.378 0.012 . 1 . . 1329 . . 12 CYS HA . 52405 1
84 . 1 . 1 12 12 CYS HB2 H 1 2.710 0.003 . 1 . . 1330 . . 12 CYS HB2 . 52405 1
85 . 1 . 1 12 12 CYS N N 15 118.542 . . 1 . . 1331 . . 12 CYS N . 52405 1
86 . 1 . 1 13 13 PHE H H 1 8.325 0.012 . 1 . . 1281 . . 13 PHE H . 52405 1
87 . 1 . 1 13 13 PHE HA H 1 4.619 0.008 . 1 . . 1282 . . 13 PHE HA . 52405 1
88 . 1 . 1 13 13 PHE HB2 H 1 2.934 0.003 . 2 . . 1283 . . 13 PHE HB2 . 52405 1
89 . 1 . 1 13 13 PHE HB3 H 1 3.077 0.006 . 2 . . 1284 . . 13 PHE HB3 . 52405 1
90 . 1 . 1 13 13 PHE HD1 H 1 7.156 0.004 . 1 . . 1339 . . 13 PHE HD1 . 52405 1
91 . 1 . 1 13 13 PHE HD2 H 1 7.156 0.004 . 1 . . 1339 . . 13 PHE HD2 . 52405 1
92 . 1 . 1 13 13 PHE HE1 H 1 7.236 0.004 . 1 . . 1337 . . 13 PHE HE1 . 52405 1
93 . 1 . 1 13 13 PHE HE2 H 1 7.236 0.004 . 1 . . 1337 . . 13 PHE HE2 . 52405 1
94 . 1 . 1 13 13 PHE HZ H 1 7.194 0.004 . 1 . . 1338 . . 13 PHE HZ . 52405 1
95 . 1 . 1 13 13 PHE N N 15 122.897 . . 1 . . 1280 . . 13 PHE N . 52405 1
96 . 1 . 1 14 14 SER H H 1 8.153 0.01 . 1 . . 1332 . . 14 SER H . 52405 1
97 . 1 . 1 14 14 SER HA H 1 4.301 0.014 . 1 . . 1333 . . 14 SER HA . 52405 1
98 . 1 . 1 14 14 SER HB2 H 1 3.726 0.002 . 2 . . 1334 . . 14 SER HB2 . 52405 1
99 . 1 . 1 14 14 SER HB3 H 1 3.758 0.002 . 2 . . 1335 . . 14 SER HB3 . 52405 1
100 . 1 . 1 14 14 SER N N 15 117.650 . . 1 . . 1336 . . 14 SER N . 52405 1
101 . 1 . 1 15 15 GLY H H 1 7.911 0.006 . 1 . . 1288 . . 15 GLY H . 52405 1
102 . 1 . 1 15 15 GLY HA2 H 1 3.840 0.004 . 2 . . 1289 . . 15 GLY HA2 . 52405 1
103 . 1 . 1 15 15 GLY HA3 H 1 3.811 0.007 . 2 . . 1291 . . 15 GLY HA3 . 52405 1
104 . 1 . 1 15 15 GLY N N 15 110.367 . . 1 . . 1290 . . 15 GLY N . 52405 1
105 . 1 . 1 16 16 LEU H H 1 7.916 0.008 . 1 . . 1292 . . 16 LEU H . 52405 1
106 . 1 . 1 16 16 LEU HA H 1 4.221 0.001 . 1 . . 1296 . . 16 LEU HA . 52405 1
107 . 1 . 1 16 16 LEU HB2 H 1 1.513 0.006 . 1 . . 1295 . . 16 LEU HB2 . 52405 1
108 . 1 . 1 16 16 LEU HG H 1 1.426 0.011 . 1 . . 1294 . . 16 LEU HG . 52405 1
109 . 1 . 1 16 16 LEU HD11 H 1 0.778 0.006 . 2 . . 1297 . . 16 LEU HD11 . 52405 1
110 . 1 . 1 16 16 LEU HD12 H 1 0.778 0.006 . 2 . . 1297 . . 16 LEU HD12 . 52405 1
111 . 1 . 1 16 16 LEU HD13 H 1 0.778 0.006 . 2 . . 1297 . . 16 LEU HD13 . 52405 1
112 . 1 . 1 16 16 LEU HD21 H 1 0.838 0.002 . 2 . . 1298 . . 16 LEU HD21 . 52405 1
113 . 1 . 1 16 16 LEU HD22 H 1 0.838 0.002 . 2 . . 1298 . . 16 LEU HD22 . 52405 1
114 . 1 . 1 16 16 LEU HD23 H 1 0.838 0.002 . 2 . . 1298 . . 16 LEU HD23 . 52405 1
115 . 1 . 1 16 16 LEU N N 15 121.444 . . 1 . . 1293 . . 16 LEU N . 52405 1
116 . 1 . 1 17 17 ARG H H 1 8.120 0.008 . 1 . . 1379 . . 17 ARG H . 52405 1
117 . 1 . 1 17 17 ARG HA H 1 4.153 0.004 . 1 . . 1380 . . 17 ARG HA . 52405 1
118 . 1 . 1 17 17 ARG HB2 H 1 1.550 0.001 . 1 . . 1382 . . 17 ARG HB2 . 52405 1
119 . 1 . 1 17 17 ARG HG2 H 1 1.385 0.001 . 2 . . 1384 . . 17 ARG HG2 . 52405 1
120 . 1 . 1 17 17 ARG HG3 H 1 1.326 0.002 . 2 . . 1385 . . 17 ARG HG3 . 52405 1
121 . 1 . 1 17 17 ARG HD2 H 1 3.007 0.006 . 1 . . 1381 . . 17 ARG HD2 . 52405 1
122 . 1 . 1 17 17 ARG HE H 1 7.000 0.004 . 1 . . 1383 . . 17 ARG HE . 52405 1
123 . 1 . 1 17 17 ARG N N 15 121.206 . . 1 . . 1399 . . 17 ARG N . 52405 1
124 . 1 . 1 18 18 PHE H H 1 8.014 0.003 . 1 . . 1345 . . 18 PHE H . 52405 1
125 . 1 . 1 18 18 PHE HA H 1 4.481 0.003 . 1 . . 1347 . . 18 PHE HA . 52405 1
126 . 1 . 1 18 18 PHE HB2 H 1 2.828 0.001 . 2 . . 1348 . . 18 PHE HB2 . 52405 1
127 . 1 . 1 18 18 PHE HB3 H 1 2.927 0.003 . 2 . . 1349 . . 18 PHE HB3 . 52405 1
128 . 1 . 1 18 18 PHE HD1 H 1 7.055 0.002 . 1 . . 1350 . . 18 PHE HD1 . 52405 1
129 . 1 . 1 18 18 PHE HD2 H 1 7.055 0.002 . 1 . . 1350 . . 18 PHE HD2 . 52405 1
130 . 1 . 1 18 18 PHE HE1 H 1 7.206 0.003 . 1 . . 1351 . . 18 PHE HE1 . 52405 1
131 . 1 . 1 18 18 PHE HE2 H 1 7.206 0.003 . 1 . . 1351 . . 18 PHE HE2 . 52405 1
132 . 1 . 1 18 18 PHE HZ H 1 7.177 0.0 . 1 . . 1352 . . 18 PHE HZ . 52405 1
133 . 1 . 1 18 18 PHE N N 15 120.876 . . 1 . . 1346 . . 18 PHE N . 52405 1
134 . 1 . 1 19 19 PHE H H 1 8.113 0.003 . 1 . . 1363 . . 19 PHE H . 52405 1
135 . 1 . 1 19 19 PHE HA H 1 4.525 0.001 . 1 . . 1364 . . 19 PHE HA . 52405 1
136 . 1 . 1 19 19 PHE HB2 H 1 2.976 0.001 . 2 . . 1377 . . 19 PHE HB2 . 52405 1
137 . 1 . 1 19 19 PHE HB3 H 1 2.910 0.001 . 2 . . 1378 . . 19 PHE HB3 . 52405 1
138 . 1 . 1 19 19 PHE HD1 H 1 7.203 0.002 . 1 . . 1949 . . 19 PHE HD1 . 52405 1
139 . 1 . 1 19 19 PHE HD2 H 1 7.203 0.002 . 1 . . 1949 . . 19 PHE HD2 . 52405 1
140 . 1 . 1 19 19 PHE HE1 H 1 7.241 0.001 . 1 . . 1386 . . 19 PHE HE1 . 52405 1
141 . 1 . 1 19 19 PHE HE2 H 1 7.241 0.001 . 1 . . 1386 . . 19 PHE HE2 . 52405 1
142 . 1 . 1 19 19 PHE HZ H 1 7.148 0.001 . 1 . . 1387 . . 19 PHE HZ . 52405 1
143 . 1 . 1 19 19 PHE N N 15 122.528 . . 1 . . 1400 . . 19 PHE N . 52405 1
144 . 1 . 1 20 20 SER H H 1 8.080 0.0 . 1 . . 1372 . . 20 SER H . 52405 1
145 . 1 . 1 20 20 SER HA H 1 4.208 0.001 . 1 . . 1374 . . 20 SER HA . 52405 1
146 . 1 . 1 20 20 SER HB2 H 1 3.691 0.003 . 2 . . 1375 . . 20 SER HB2 . 52405 1
147 . 1 . 1 20 20 SER HB3 H 1 3.732 0.0 . 2 . . 1376 . . 20 SER HB3 . 52405 1
148 . 1 . 1 20 20 SER N N 15 119.023 . . 1 . . 1373 . . 20 SER N . 52405 1
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save_