################################### # 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 53339 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H 13C 15N assignment of IDR3-domain (362-419) of nucleocapsid protein of SARS-CoV 2 Nucleocapsid protein:1-419' _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' . . . 53339 1 2 '2D 1H-15N BEST TROSY' . . . 53339 1 3 '2D 13C-15N CON' . . . 53339 1 4 '2D 13C-13C hCACO' . . . 53339 1 5 '2D 13C-13C hCBCACO' . . . 53339 1 6 '3D BEST TROSY HNCO' . . . 53339 1 7 '3D BEST TROSY HNCACO' . . . 53339 1 8 '3D CBCA(CO)NH' . . . 53339 1 9 '3D CBCANH' . . . 53339 1 10 '3D HCBCACON' . . . 53339 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 2 $software_2 . . 53339 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 . 1 366 366 THR H H 1 8.145 0.001 . . . . . . . 366 T HN . 53339 1 2 . 1 . 1 366 366 THR C C 13 174.628 0.000 . . . . . . . 366 T C . 53339 1 3 . 1 . 1 366 366 THR CA C 13 62.016 0.000 . . . . . . . 366 T CA . 53339 1 4 . 1 . 1 366 366 THR CB C 13 69.579 0.000 . . . . . . . 366 T CB . 53339 1 5 . 1 . 1 366 366 THR N N 15 115.000 0.001 . . . . . . . 366 T N . 53339 1 6 . 1 . 1 367 367 GLU H H 1 8.104 0.003 . . . . . . . 367 E HN . 53339 1 7 . 1 . 1 367 367 GLU C C 13 177.498 0.000 . . . . . . . 367 E C . 53339 1 8 . 1 . 1 367 367 GLU CA C 13 55.409 0.000 . . . . . . . 367 E CA . 53339 1 9 . 1 . 1 367 367 GLU CB C 13 29.224 0.000 . . . . . . . 367 E CB . 53339 1 10 . 1 . 1 367 367 GLU N N 15 123.117 0.005 . . . . . . . 367 E N . 53339 1 11 . 1 . 1 368 368 PRO C C 13 176.402 0.000 . . . . . . . 368 P C . 53339 1 12 . 1 . 1 368 368 PRO CA C 13 63.097 0.000 . . . . . . . 368 P CA . 53339 1 13 . 1 . 1 368 368 PRO CB C 13 31.904 0.000 . . . . . . . 368 P CB . 53339 1 14 . 1 . 1 369 369 LYS H H 1 8.298 0.002 . . . . . . . 369 K HN . 53339 1 15 . 1 . 1 369 369 LYS N N 15 121.695 0.000 . . . . . . . 369 K N . 53339 1 16 . 1 . 1 371 371 ASP C C 13 176.291 0.000 . . . . . . . 371 D C . 53339 1 17 . 1 . 1 371 371 ASP CA C 13 53.896 0.000 . . . . . . . 371 D CA . 53339 1 18 . 1 . 1 371 371 ASP CB C 13 40.814 0.000 . . . . . . . 371 D CB . 53339 1 19 . 1 . 1 371 371 ASP N N 15 121.263 0.000 . . . . . . . 371 D N . 53339 1 20 . 1 . 1 372 372 LYS H H 1 8.157 0.002 . . . . . . . 372 K HN . 53339 1 21 . 1 . 1 372 372 LYS CA C 13 56.372 0.000 . . . . . . . 372 K CA . 53339 1 22 . 1 . 1 372 372 LYS CB C 13 32.762 0.000 . . . . . . . 372 K CB . 53339 1 23 . 1 . 1 372 372 LYS N N 15 122.286 0.026 . . . . . . . 372 K N . 53339 1 24 . 1 . 1 373 373 LYS H H 1 8.368 0.000 . . . . . . . 373 K HN . 53339 1 25 . 1 . 1 373 373 LYS C C 13 176.039 0.000 . . . . . . . 373 K C . 53339 1 26 . 1 . 1 373 373 LYS N N 15 122.439 0.002 . . . . . . . 373 K N . 53339 1 27 . 1 . 1 375 375 LYS C C 13 176.679 0.000 . . . . . . . 375 K C . 53339 1 28 . 1 . 1 375 375 LYS CA C 13 56.328 0.000 . . . . . . . 375 K CA . 53339 1 29 . 1 . 1 375 375 LYS CB C 13 33.283 0.000 . . . . . . . 375 K CB . 53339 1 30 . 1 . 1 375 375 LYS N N 15 123.357 0.003 . . . . . . . 375 K N . 53339 1 31 . 1 . 1 376 376 ALA H H 1 8.293 0.000 . . . . . . . 376 A HN . 53339 1 32 . 1 . 1 376 376 ALA C C 13 177.699 0.000 . . . . . . . 376 A C . 53339 1 33 . 1 . 1 376 376 ALA CA C 13 52.584 0.000 . . . . . . . 376 A CA . 53339 1 34 . 1 . 1 376 376 ALA CB C 13 18.890 0.000 . . . . . . . 376 A CB . 53339 1 35 . 1 . 1 376 376 ALA N N 15 125.688 0.008 . . . . . . . 376 A N . 53339 1 36 . 1 . 1 377 377 ASP H H 1 8.176 0.000 . . . . . . . 377 D HN . 53339 1 37 . 1 . 1 377 377 ASP C C 13 176.687 0.000 . . . . . . . 377 D C . 53339 1 38 . 1 . 1 377 377 ASP CA C 13 54.025 0.000 . . . . . . . 377 D CA . 53339 1 39 . 1 . 1 377 377 ASP CB C 13 40.864 0.000 . . . . . . . 377 D CB . 53339 1 40 . 1 . 1 377 377 ASP N N 15 119.418 0.004 . . . . . . . 377 D N . 53339 1 41 . 1 . 1 378 378 GLU H H 1 8.288 0.000 . . . . . . . 378 E HN . 53339 1 42 . 1 . 1 378 378 GLU C C 13 177.017 0.000 . . . . . . . 378 E C . 53339 1 43 . 1 . 1 378 378 GLU CA C 13 56.280 0.000 . . . . . . . 378 E CA . 53339 1 44 . 1 . 1 378 378 GLU CB C 13 29.824 0.000 . . . . . . . 378 E CB . 53339 1 45 . 1 . 1 378 378 GLU N N 15 121.791 0.004 . . . . . . . 378 E N . 53339 1 46 . 1 . 1 379 379 THR H H 1 8.133 0.000 . . . . . . . 379 T HN . 53339 1 47 . 1 . 1 379 379 THR C C 13 174.818 0.000 . . . . . . . 379 T C . 53339 1 48 . 1 . 1 379 379 THR CA C 13 62.217 0.000 . . . . . . . 379 T CA . 53339 1 49 . 1 . 1 379 379 THR CB C 13 69.597 0.000 . . . . . . . 379 T CB . 53339 1 50 . 1 . 1 379 379 THR N N 15 115.163 0.013 . . . . . . . 379 T N . 53339 1 51 . 1 . 1 380 380 GLN H H 1 8.149 0.001 . . . . . . . 380 Q HN . 53339 1 52 . 1 . 1 380 380 GLN C C 13 175.441 0.000 . . . . . . . 380 Q C . 53339 1 53 . 1 . 1 380 380 GLN CA C 13 55.373 0.000 . . . . . . . 380 Q CA . 53339 1 54 . 1 . 1 380 380 GLN CB C 13 29.393 0.000 . . . . . . . 380 Q CB . 53339 1 55 . 1 . 1 380 380 GLN N N 15 122.454 0.001 . . . . . . . 380 Q N . 53339 1 56 . 1 . 1 381 381 ALA H H 1 8.148 0.001 . . . . . . . 381 A HN . 53339 1 57 . 1 . 1 381 381 ALA C C 13 177.515 0.000 . . . . . . . 381 A C . 53339 1 58 . 1 . 1 381 381 ALA CA C 13 52.334 0.000 . . . . . . . 381 A CA . 53339 1 59 . 1 . 1 381 381 ALA CB C 13 19.095 0.000 . . . . . . . 381 A CB . 53339 1 60 . 1 . 1 381 381 ALA N N 15 125.568 0.000 . . . . . . . 381 A N . 53339 1 61 . 1 . 1 382 382 LEU H H 1 8.136 0.000 . . . . . . . 382 L HN . 53339 1 62 . 1 . 1 382 382 LEU C C 13 175.502 0.000 . . . . . . . 382 L C . 53339 1 63 . 1 . 1 382 382 LEU CA C 13 54.719 0.000 . . . . . . . 382 L CA . 53339 1 64 . 1 . 1 382 382 LEU CB C 13 41.204 0.000 . . . . . . . 382 L CB . 53339 1 65 . 1 . 1 382 382 LEU N N 15 123.073 0.000 . . . . . . . 382 L N . 53339 1 66 . 1 . 1 383 383 PRO C C 13 177.054 0.000 . . . . . . . 383 P C . 53339 1 67 . 1 . 1 383 383 PRO CA C 13 62.990 0.000 . . . . . . . 383 P CA . 53339 1 68 . 1 . 1 383 383 PRO CB C 13 31.933 0.000 . . . . . . . 383 P CB . 53339 1 69 . 1 . 1 384 384 GLN H H 1 8.356 0.001 . . . . . . . 384 Q HN . 53339 1 70 . 1 . 1 384 384 GLN C C 13 176.343 0.000 . . . . . . . 384 Q C . 53339 1 71 . 1 . 1 384 384 GLN CA C 13 55.809 0.000 . . . . . . . 384 Q CA . 53339 1 72 . 1 . 1 384 384 GLN CB C 13 29.447 0.000 . . . . . . . 384 Q CB . 53339 1 73 . 1 . 1 384 384 GLN N N 15 120.579 0.005 . . . . . . . 384 Q N . 53339 1 74 . 1 . 1 385 385 ARG H H 1 8.260 0.000 . . . . . . . 385 R HN . 53339 1 75 . 1 . 1 385 385 ARG C C 13 176.425 0.000 . . . . . . . 385 R C . 53339 1 76 . 1 . 1 385 385 ARG CA C 13 55.972 0.000 . . . . . . . 385 R CA . 53339 1 77 . 1 . 1 385 385 ARG CB C 13 30.466 0.000 . . . . . . . 385 R CB . 53339 1 78 . 1 . 1 385 385 ARG N N 15 122.328 0.004 . . . . . . . 385 R N . 53339 1 79 . 1 . 1 386 386 GLN H H 1 8.290 0.000 . . . . . . . 386 Q HN . 53339 1 80 . 1 . 1 386 386 GLN C C 13 175.914 0.000 . . . . . . . 386 Q C . 53339 1 81 . 1 . 1 386 386 GLN CA C 13 55.630 0.000 . . . . . . . 386 Q CA . 53339 1 82 . 1 . 1 386 386 GLN CB C 13 29.244 0.000 . . . . . . . 386 Q CB . 53339 1 83 . 1 . 1 386 386 GLN N N 15 121.647 0.003 . . . . . . . 386 Q N . 53339 1 84 . 1 . 1 387 387 LYS H H 1 8.397 0.000 . . . . . . . 387 K HN . 53339 1 85 . 1 . 1 387 387 LYS N N 15 122.469 0.002 . . . . . . . 387 K N . 53339 1 86 . 1 . 1 388 388 LYS C C 13 176.646 0.000 . . . . . . . 388 K C . 53339 1 87 . 1 . 1 388 388 LYS CA C 13 56.134 0.000 . . . . . . . 388 K CA . 53339 1 88 . 1 . 1 388 388 LYS CB C 13 32.985 0.000 . . . . . . . 388 K CB . 53339 1 89 . 1 . 1 388 388 LYS N N 15 123.117 0.002 . . . . . . . 388 K N . 53339 1 90 . 1 . 1 389 389 GLN H H 1 8.346 0.002 . . . . . . . 389 Q HN . 53339 1 91 . 1 . 1 389 389 GLN C C 13 176.107 0.000 . . . . . . . 389 Q C . 53339 1 92 . 1 . 1 389 389 GLN CA C 13 55.689 0.000 . . . . . . . 389 Q CA . 53339 1 93 . 1 . 1 389 389 GLN CB C 13 29.190 0.000 . . . . . . . 389 Q CB . 53339 1 94 . 1 . 1 389 389 GLN N N 15 122.284 0.001 . . . . . . . 389 Q N . 53339 1 95 . 1 . 1 390 390 GLN H H 1 8.390 0.000 . . . . . . . 390 Q HN . 53339 1 96 . 1 . 1 390 390 GLN C C 13 176.343 0.000 . . . . . . . 390 Q C . 53339 1 97 . 1 . 1 390 390 GLN CA C 13 55.489 0.000 . . . . . . . 390 Q CA . 53339 1 98 . 1 . 1 390 390 GLN CB C 13 29.464 0.000 . . . . . . . 390 Q CB . 53339 1 99 . 1 . 1 390 390 GLN N N 15 121.882 0.007 . . . . . . . 390 Q N . 53339 1 100 . 1 . 1 391 391 THR H H 1 8.185 0.000 . . . . . . . 391 T HN . 53339 1 101 . 1 . 1 391 391 THR C C 13 174.562 0.000 . . . . . . . 391 T C . 53339 1 102 . 1 . 1 391 391 THR CA C 13 61.999 0.000 . . . . . . . 391 T CA . 53339 1 103 . 1 . 1 391 391 THR CB C 13 69.698 0.000 . . . . . . . 391 T CB . 53339 1 104 . 1 . 1 391 391 THR N N 15 116.851 0.001 . . . . . . . 391 T N . 53339 1 105 . 1 . 1 392 392 VAL H H 1 8.170 0.001 . . . . . . . 392 V HN . 53339 1 106 . 1 . 1 392 392 VAL C C 13 174.844 0.000 . . . . . . . 392 V C . 53339 1 107 . 1 . 1 392 392 VAL CA C 13 62.058 0.000 . . . . . . . 392 V CA . 53339 1 108 . 1 . 1 392 392 VAL CB C 13 30.462 0.000 . . . . . . . 392 V CB . 53339 1 109 . 1 . 1 392 392 VAL N N 15 123.578 0.001 . . . . . . . 392 V N . 53339 1 110 . 1 . 1 393 393 THR H H 1 8.250 0.001 . . . . . . . 393 T HN . 53339 1 111 . 1 . 1 393 393 THR C C 13 174.007 0.000 . . . . . . . 393 T C . 53339 1 112 . 1 . 1 393 393 THR CA C 13 62.950 0.000 . . . . . . . 393 T CA . 53339 1 113 . 1 . 1 393 393 THR CB C 13 69.604 0.000 . . . . . . . 393 T CB . 53339 1 114 . 1 . 1 393 393 THR N N 15 117.594 0.004 . . . . . . . 393 T N . 53339 1 115 . 1 . 1 394 394 LEU H H 1 8.228 0.001 . . . . . . . 394 L HN . 53339 1 116 . 1 . 1 394 394 LEU C C 13 176.780 0.000 . . . . . . . 394 L C . 53339 1 117 . 1 . 1 394 394 LEU CA C 13 54.600 0.000 . . . . . . . 394 L CA . 53339 1 118 . 1 . 1 394 394 LEU CB C 13 42.241 0.000 . . . . . . . 394 L CB . 53339 1 119 . 1 . 1 394 394 LEU N N 15 126.151 0.010 . . . . . . . 394 L N . 53339 1 120 . 1 . 1 395 395 LEU H H 1 8.140 0.000 . . . . . . . 395 L HN . 53339 1 121 . 1 . 1 395 395 LEU C C 13 175.350 0.000 . . . . . . . 395 L C . 53339 1 122 . 1 . 1 395 395 LEU CA C 13 52.649 0.000 . . . . . . . 395 L CA . 53339 1 123 . 1 . 1 395 395 LEU CB C 13 41.494 0.000 . . . . . . . 395 L CB . 53339 1 124 . 1 . 1 395 395 LEU N N 15 125.072 0.002 . . . . . . . 395 L N . 53339 1 125 . 1 . 1 396 396 PRO C C 13 176.703 0.000 . . . . . . . 396 P C . 53339 1 126 . 1 . 1 396 396 PRO CA C 13 62.527 0.000 . . . . . . . 396 P CA . 53339 1 127 . 1 . 1 396 396 PRO CB C 13 31.769 0.000 . . . . . . . 396 P CB . 53339 1 128 . 1 . 1 397 397 ALA H H 1 8.239 0.001 . . . . . . . 397 A HN . 53339 1 129 . 1 . 1 397 397 ALA C C 13 177.736 0.000 . . . . . . . 397 A C . 53339 1 130 . 1 . 1 397 397 ALA CA C 13 52.390 0.000 . . . . . . . 397 A CA . 53339 1 131 . 1 . 1 397 397 ALA CB C 13 19.029 0.000 . . . . . . . 397 A CB . 53339 1 132 . 1 . 1 397 397 ALA N N 15 124.620 0.006 . . . . . . . 397 A N . 53339 1 133 . 1 . 1 398 398 ALA H H 1 8.179 0.000 . . . . . . . 398 A HN . 53339 1 134 . 1 . 1 398 398 ALA C C 13 177.582 0.000 . . . . . . . 398 A C . 53339 1 135 . 1 . 1 398 398 ALA CA C 13 52.364 0.000 . . . . . . . 398 A CA . 53339 1 136 . 1 . 1 398 398 ALA CB C 13 19.229 0.000 . . . . . . . 398 A CB . 53339 1 137 . 1 . 1 398 398 ALA N N 15 123.145 0.002 . . . . . . . 398 A N . 53339 1 138 . 1 . 1 399 399 ASP H H 1 8.128 0.000 . . . . . . . 399 D HN . 53339 1 139 . 1 . 1 399 399 ASP C C 13 176.375 0.000 . . . . . . . 399 D C . 53339 1 140 . 1 . 1 399 399 ASP CA C 13 53.990 0.000 . . . . . . . 399 D CA . 53339 1 141 . 1 . 1 399 399 ASP CB C 13 41.034 0.000 . . . . . . . 399 D CB . 53339 1 142 . 1 . 1 399 399 ASP N N 15 119.185 0.003 . . . . . . . 399 D N . 53339 1 143 . 1 . 1 400 400 LEU H H 1 7.955 0.000 . . . . . . . 400 L HN . 53339 1 144 . 1 . 1 400 400 LEU C C 13 177.473 0.000 . . . . . . . 400 L C . 53339 1 145 . 1 . 1 400 400 LEU CA C 13 55.391 0.000 . . . . . . . 400 L CA . 53339 1 146 . 1 . 1 400 400 LEU CB C 13 42.220 0.000 . . . . . . . 400 L CB . 53339 1 147 . 1 . 1 400 400 LEU N N 15 122.271 0.011 . . . . . . . 400 L N . 53339 1 148 . 1 . 1 401 401 ASP H H 1 8.131 0.006 . . . . . . . 401 D HN . 53339 1 149 . 1 . 1 401 401 ASP C C 13 176.064 0.000 . . . . . . . 401 D C . 53339 1 150 . 1 . 1 401 401 ASP CA C 13 53.979 0.000 . . . . . . . 401 D CA . 53339 1 151 . 1 . 1 401 401 ASP CB C 13 40.518 0.000 . . . . . . . 401 D CB . 53339 1 152 . 1 . 1 401 401 ASP N N 15 120.735 0.001 . . . . . . . 401 D N . 53339 1 153 . 1 . 1 402 402 ASP H H 1 8.021 0.001 . . . . . . . 402 D HN . 53339 1 154 . 1 . 1 402 402 ASP C C 13 177.034 0.000 . . . . . . . 402 D C . 53339 1 155 . 1 . 1 402 402 ASP CA C 13 54.355 0.000 . . . . . . . 402 D CA . 53339 1 156 . 1 . 1 402 402 ASP CB C 13 40.708 0.000 . . . . . . . 402 D CB . 53339 1 157 . 1 . 1 402 402 ASP N N 15 120.204 0.008 . . . . . . . 402 D N . 53339 1 158 . 1 . 1 403 403 PHE H H 1 8.175 0.001 . . . . . . . 403 F HN . 53339 1 159 . 1 . 1 403 403 PHE N N 15 121.310 0.000 . . . . . . . 403 F N . 53339 1 160 . 1 . 1 404 404 SER C C 13 174.863 0.000 . . . . . . . 404 S C . 53339 1 161 . 1 . 1 404 404 SER N N 15 117.489 0.016 . . . . . . . 404 S N . 53339 1 162 . 1 . 1 405 405 LYS C C 13 177.435 0.000 . . . . . . . 405 K C . 53339 1 163 . 1 . 1 405 405 LYS CA C 13 56.089 0.000 . . . . . . . 405 K CA . 53339 1 164 . 1 . 1 405 405 LYS CB C 13 32.813 0.000 . . . . . . . 405 K CB . 53339 1 165 . 1 . 1 405 405 LYS N N 15 123.078 0.000 . . . . . . . 405 K N . 53339 1 166 . 1 . 1 406 406 GLN H H 1 7.946 0.000 . . . . . . . 406 Q HN . 53339 1 167 . 1 . 1 406 406 GLN C C 13 176.986 0.000 . . . . . . . 406 Q C . 53339 1 168 . 1 . 1 406 406 GLN CA C 13 56.453 0.000 . . . . . . . 406 Q CA . 53339 1 169 . 1 . 1 406 406 GLN CB C 13 28.681 0.000 . . . . . . . 406 Q CB . 53339 1 170 . 1 . 1 406 406 GLN N N 15 119.771 0.000 . . . . . . . 406 Q N . 53339 1 171 . 1 . 1 407 407 LEU H H 1 7.953 0.001 . . . . . . . 407 L HN . 53339 1 172 . 1 . 1 407 407 LEU C C 13 177.435 0.000 . . . . . . . 407 L C . 53339 1 173 . 1 . 1 407 407 LEU CA C 13 55.269 0.000 . . . . . . . 407 L CA . 53339 1 174 . 1 . 1 407 407 LEU CB C 13 42.240 0.000 . . . . . . . 407 L CB . 53339 1 175 . 1 . 1 407 407 LEU N N 15 122.452 0.004 . . . . . . . 407 L N . 53339 1 176 . 1 . 1 408 408 GLN H H 1 8.122 0.000 . . . . . . . 408 Q HN . 53339 1 177 . 1 . 1 408 408 GLN C C 13 174.399 0.000 . . . . . . . 408 Q C . 53339 1 178 . 1 . 1 408 408 GLN CA C 13 56.137 0.000 . . . . . . . 408 Q CA . 53339 1 179 . 1 . 1 408 408 GLN CB C 13 29.464 0.000 . . . . . . . 408 Q CB . 53339 1 180 . 1 . 1 408 408 GLN N N 15 120.663 0.004 . . . . . . . 408 Q N . 53339 1 181 . 1 . 1 409 409 GLN H H 1 8.172 0.002 . . . . . . . 409 Q HN . 53339 1 182 . 1 . 1 409 409 GLN C C 13 176.654 0.000 . . . . . . . 409 Q C . 53339 1 183 . 1 . 1 409 409 GLN CA C 13 55.891 0.000 . . . . . . . 409 Q CA . 53339 1 184 . 1 . 1 409 409 GLN CB C 13 30.400 0.000 . . . . . . . 409 Q CB . 53339 1 185 . 1 . 1 409 409 GLN N N 15 120.649 0.011 . . . . . . . 409 Q N . 53339 1 186 . 1 . 1 410 410 SER H H 1 8.215 0.000 . . . . . . . 410 S HN . 53339 1 187 . 1 . 1 410 410 SER C C 13 174.996 0.000 . . . . . . . 410 S C . 53339 1 188 . 1 . 1 410 410 SER CA C 13 58.561 0.000 . . . . . . . 410 S CA . 53339 1 189 . 1 . 1 410 410 SER CB C 13 63.627 0.000 . . . . . . . 410 S CB . 53339 1 190 . 1 . 1 410 410 SER N N 15 116.853 0.001 . . . . . . . 410 S N . 53339 1 191 . 1 . 1 411 411 MET H H 1 8.179 0.001 . . . . . . . 411 M HN . 53339 1 192 . 1 . 1 411 411 MET C C 13 176.600 0.000 . . . . . . . 411 M C . 53339 1 193 . 1 . 1 411 411 MET CA C 13 55.892 0.000 . . . . . . . 411 M CA . 53339 1 194 . 1 . 1 411 411 MET CB C 13 32.567 0.000 . . . . . . . 411 M CB . 53339 1 195 . 1 . 1 411 411 MET N N 15 121.994 0.004 . . . . . . . 411 M N . 53339 1 196 . 1 . 1 412 412 SER H H 1 8.165 0.000 . . . . . . . 412 S HN . 53339 1 197 . 1 . 1 412 412 SER C C 13 174.797 0.000 . . . . . . . 412 S C . 53339 1 198 . 1 . 1 412 412 SER CA C 13 58.270 0.000 . . . . . . . 412 S CA . 53339 1 199 . 1 . 1 412 412 SER CB C 13 63.474 0.000 . . . . . . . 412 S CB . 53339 1 200 . 1 . 1 412 412 SER N N 15 116.610 0.008 . . . . . . . 412 S N . 53339 1 201 . 1 . 1 413 413 SER H H 1 8.341 0.000 . . . . . . . 413 S HN . 53339 1 202 . 1 . 1 413 413 SER C C 13 174.649 0.000 . . . . . . . 413 S C . 53339 1 203 . 1 . 1 413 413 SER CA C 13 58.379 0.000 . . . . . . . 413 S CA . 53339 1 204 . 1 . 1 413 413 SER CB C 13 63.676 0.000 . . . . . . . 413 S CB . 53339 1 205 . 1 . 1 413 413 SER N N 15 118.081 0.003 . . . . . . . 413 S N . 53339 1 206 . 1 . 1 414 414 ALA H H 1 8.184 0.001 . . . . . . . 414 A HN . 53339 1 207 . 1 . 1 414 414 ALA C C 13 177.684 0.000 . . . . . . . 414 A C . 53339 1 208 . 1 . 1 414 414 ALA CA C 13 52.475 0.000 . . . . . . . 414 A CA . 53339 1 209 . 1 . 1 414 414 ALA CB C 13 19.129 0.000 . . . . . . . 414 A CB . 53339 1 210 . 1 . 1 414 414 ALA N N 15 125.808 0.001 . . . . . . . 414 A N . 53339 1 211 . 1 . 1 415 415 ASP H H 1 8.078 0.000 . . . . . . . 415 D HN . 53339 1 212 . 1 . 1 415 415 ASP C C 13 176.669 0.000 . . . . . . . 415 D C . 53339 1 213 . 1 . 1 415 415 ASP CA C 13 54.071 0.000 . . . . . . . 415 D CA . 53339 1 214 . 1 . 1 415 415 ASP CB C 13 40.905 0.000 . . . . . . . 415 D CB . 53339 1 215 . 1 . 1 415 415 ASP N N 15 119.058 0.001 . . . . . . . 415 D N . 53339 1 216 . 1 . 1 416 416 SER H H 1 8.124 0.000 . . . . . . . 416 S HN . 53339 1 217 . 1 . 1 416 416 SER C C 13 175.059 0.000 . . . . . . . 416 S C . 53339 1 218 . 1 . 1 416 416 SER CA C 13 58.406 0.000 . . . . . . . 416 S CA . 53339 1 219 . 1 . 1 416 416 SER CB C 13 63.504 0.000 . . . . . . . 416 S CB . 53339 1 220 . 1 . 1 416 416 SER N N 15 116.643 0.003 . . . . . . . 416 S N . 53339 1 221 . 1 . 1 417 417 THR H H 1 8.124 0.000 . . . . . . . 417 T HN . 53339 1 222 . 1 . 1 417 417 THR C C 13 174.603 0.000 . . . . . . . 417 T C . 53339 1 223 . 1 . 1 417 417 THR CA C 13 62.031 0.000 . . . . . . . 417 T CA . 53339 1 224 . 1 . 1 417 417 THR CB C 13 69.547 0.000 . . . . . . . 417 T CB . 53339 1 225 . 1 . 1 417 417 THR N N 15 115.819 0.002 . . . . . . . 417 T N . 53339 1 226 . 1 . 1 418 418 GLN H H 1 8.108 0.002 . . . . . . . 418 Q HN . 53339 1 227 . 1 . 1 418 418 GLN C C 13 174.713 0.000 . . . . . . . 418 Q C . 53339 1 228 . 1 . 1 418 418 GLN CA C 13 55.578 0.000 . . . . . . . 418 Q CA . 53339 1 229 . 1 . 1 418 418 GLN CB C 13 29.319 0.075 . . . . . . . 418 Q CB . 53339 1 230 . 1 . 1 418 418 GLN N N 15 123.026 0.005 . . . . . . . 418 Q N . 53339 1 231 . 1 . 1 419 419 ALA H H 1 7.954 0.080 . . . . . . . 419 A HN . 53339 1 232 . 1 . 1 419 419 ALA CA C 13 52.669 0.000 . . . . . . . 419 A CA . 53339 1 233 . 1 . 1 419 419 ALA CB C 13 19.620 0.000 . . . . . . . 419 A CB . 53339 1 234 . 1 . 1 419 419 ALA N N 15 131.738 0.019 . . . . . . . 419 A N . 53339 1 stop_ save_