################################### # 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 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 stop_ save_