################################### # 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 53908 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TDP-43 CTD Oxidized Chemical Shift Ref' _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' . . . 53908 1 2 '3D HNCACB' . . . 53908 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 . . 53908 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 3 3 GLN H H 1 8.439 0.002 . . . . . . . 269 Q H . 53908 1 2 . 1 . 1 3 3 GLN CA C 13 56.056 0.000 . . . . . . . 269 Q CA . 53908 1 3 . 1 . 1 3 3 GLN CB C 13 29.255 0.000 . . . . . . . 269 Q CB . 53908 1 4 . 1 . 1 3 3 GLN N N 15 121.484 0.029 . . . . . . . 269 Q N . 53908 1 5 . 1 . 1 4 4 LEU H H 1 8.246 0.004 . . . . . . . 270 L H . 53908 1 6 . 1 . 1 4 4 LEU CA C 13 55.690 0.000 . . . . . . . 270 L CA . 53908 1 7 . 1 . 1 4 4 LEU CB C 13 42.386 0.000 . . . . . . . 270 L CB . 53908 1 8 . 1 . 1 4 4 LEU N N 15 123.222 0.076 . . . . . . . 270 L N . 53908 1 9 . 1 . 1 5 5 GLU H H 1 8.390 0.011 . . . . . . . 271 E H . 53908 1 10 . 1 . 1 5 5 GLU CA C 13 56.435 0.000 . . . . . . . 271 E CA . 53908 1 11 . 1 . 1 5 5 GLU CB C 13 30.481 0.000 . . . . . . . 271 E CB . 53908 1 12 . 1 . 1 5 5 GLU N N 15 122.047 0.039 . . . . . . . 271 E N . 53908 1 13 . 1 . 1 6 6 ARG H H 1 8.417 0.002 . . . . . . . 272 R H . 53908 1 14 . 1 . 1 6 6 ARG CA C 13 56.490 0.000 . . . . . . . 272 R CA . 53908 1 15 . 1 . 1 6 6 ARG CB C 13 30.637 0.000 . . . . . . . 272 R CB . 53908 1 16 . 1 . 1 6 6 ARG N N 15 122.009 0.091 . . . . . . . 272 R N . 53908 1 17 . 1 . 1 7 7 SER H H 1 8.310 0.003 . . . . . . . 273 S H . 53908 1 18 . 1 . 1 7 7 SER CA C 13 58.657 0.000 . . . . . . . 273 S CA . 53908 1 19 . 1 . 1 7 7 SER CB C 13 64.028 0.000 . . . . . . . 273 S CB . 53908 1 20 . 1 . 1 7 7 SER N N 15 116.467 0.053 . . . . . . . 273 S N . 53908 1 21 . 1 . 1 8 8 GLY H H 1 8.396 0.000 . . . . . . . 274 G H . 53908 1 22 . 1 . 1 8 8 GLY N N 15 110.542 0.000 . . . . . . . 274 G N . 53908 1 23 . 1 . 1 9 9 ARG H H 1 8.097 0.000 . . . . . . . 275 R H . 53908 1 24 . 1 . 1 9 9 ARG N N 15 120.480 0.000 . . . . . . . 275 R N . 53908 1 25 . 1 . 1 10 10 PHE H H 1 8.341 0.000 . . . . . . . 276 F H . 53908 1 26 . 1 . 1 10 10 PHE N N 15 121.070 0.000 . . . . . . . 276 F N . 53908 1 27 . 1 . 1 11 11 GLY H H 1 8.284 0.000 . . . . . . . 277 G H . 53908 1 28 . 1 . 1 11 11 GLY N N 15 110.795 0.000 . . . . . . . 277 G N . 53908 1 29 . 1 . 1 12 12 GLY H H 1 7.914 0.000 . . . . . . . 278 G H . 53908 1 30 . 1 . 1 12 12 GLY N N 15 107.942 0.000 . . . . . . . 278 G N . 53908 1 31 . 1 . 1 13 13 ASN H H 1 8.362 0.000 . . . . . . . 279 N H . 53908 1 32 . 1 . 1 13 13 ASN N N 15 119.154 0.000 . . . . . . . 279 N N . 53908 1 33 . 1 . 1 15 15 GLY H H 1 8.404 0.000 . . . . . . . 281 G H . 53908 1 34 . 1 . 1 15 15 GLY N N 15 108.726 0.000 . . . . . . . 281 G N . 53908 1 35 . 1 . 1 16 16 GLY H H 1 8.064 0.000 . . . . . . . 282 G H . 53908 1 36 . 1 . 1 16 16 GLY N N 15 108.265 0.000 . . . . . . . 282 G N . 53908 1 37 . 1 . 1 17 17 PHE H H 1 8.151 0.000 . . . . . . . 283 F H . 53908 1 38 . 1 . 1 17 17 PHE N N 15 119.837 0.000 . . . . . . . 283 F N . 53908 1 39 . 1 . 1 18 18 GLY H H 1 8.408 0.000 . . . . . . . 284 G H . 53908 1 40 . 1 . 1 18 18 GLY N N 15 110.356 0.000 . . . . . . . 284 G N . 53908 1 41 . 1 . 1 19 19 ASN H H 1 8.282 0.000 . . . . . . . 285 N H . 53908 1 42 . 1 . 1 19 19 ASN N N 15 118.825 0.000 . . . . . . . 285 N N . 53908 1 43 . 1 . 1 20 20 GLN H H 1 8.474 0.000 . . . . . . . 286 Q H . 53908 1 44 . 1 . 1 20 20 GLN N N 15 120.598 0.000 . . . . . . . 286 Q N . 53908 1 45 . 1 . 1 21 21 GLY H H 1 8.394 0.000 . . . . . . . 287 G H . 53908 1 46 . 1 . 1 21 21 GLY N N 15 109.496 0.000 . . . . . . . 287 G N . 53908 1 47 . 1 . 1 22 22 GLY H H 1 8.056 0.000 . . . . . . . 288 G H . 53908 1 48 . 1 . 1 22 22 GLY N N 15 108.232 0.000 . . . . . . . 288 G N . 53908 1 49 . 1 . 1 23 23 PHE H H 1 8.163 0.000 . . . . . . . 289 F H . 53908 1 50 . 1 . 1 23 23 PHE N N 15 119.772 0.000 . . . . . . . 289 F N . 53908 1 51 . 1 . 1 24 24 GLY H H 1 8.420 0.000 . . . . . . . 290 G H . 53908 1 52 . 1 . 1 24 24 GLY N N 15 110.382 0.000 . . . . . . . 290 G N . 53908 1 53 . 1 . 1 25 25 ASN H H 1 8.292 0.000 . . . . . . . 291 N H . 53908 1 54 . 1 . 1 25 25 ASN N N 15 118.701 0.000 . . . . . . . 291 N N . 53908 1 55 . 1 . 1 26 26 SER H H 1 8.327 0.000 . . . . . . . 292 S H . 53908 1 56 . 1 . 1 26 26 SER N N 15 116.285 0.000 . . . . . . . 292 S N . 53908 1 57 . 1 . 1 27 27 ARG H H 1 8.389 0.000 . . . . . . . 293 R H . 53908 1 58 . 1 . 1 27 27 ARG N N 15 122.582 0.000 . . . . . . . 293 R N . 53908 1 59 . 1 . 1 28 28 GLY H H 1 8.341 0.000 . . . . . . . 294 G H . 53908 1 60 . 1 . 1 28 28 GLY N N 15 109.593 0.000 . . . . . . . 294 G N . 53908 1 61 . 1 . 1 29 29 GLY H H 1 8.273 0.000 . . . . . . . 295 G H . 53908 1 62 . 1 . 1 29 29 GLY N N 15 108.719 0.000 . . . . . . . 295 G N . 53908 1 63 . 1 . 1 30 30 GLY H H 1 8.321 0.000 . . . . . . . 296 G H . 53908 1 64 . 1 . 1 30 30 GLY N N 15 108.546 0.000 . . . . . . . 296 G N . 53908 1 65 . 1 . 1 31 31 ALA H H 1 8.253 0.000 . . . . . . . 297 A H . 53908 1 66 . 1 . 1 31 31 ALA N N 15 123.744 0.000 . . . . . . . 297 A N . 53908 1 67 . 1 . 1 32 32 GLY H H 1 8.376 0.000 . . . . . . . 298 G H . 53908 1 68 . 1 . 1 32 32 GLY N N 15 108.063 0.000 . . . . . . . 298 G N . 53908 1 69 . 1 . 1 33 33 LEU H H 1 8.116 0.000 . . . . . . . 299 L H . 53908 1 70 . 1 . 1 33 33 LEU N N 15 121.395 0.000 . . . . . . . 299 L N . 53908 1 71 . 1 . 1 34 34 GLY H H 1 8.432 0.000 . . . . . . . 300 G H . 53908 1 72 . 1 . 1 34 34 GLY CA C 13 45.390 0.000 . . . . . . . 300 G CA . 53908 1 73 . 1 . 1 34 34 GLY N N 15 109.217 0.000 . . . . . . . 300 G N . 53908 1 74 . 1 . 1 35 35 ASN H H 1 8.301 0.000 . . . . . . . 301 N H . 53908 1 75 . 1 . 1 35 35 ASN CA C 13 53.380 0.000 . . . . . . . 301 N CA . 53908 1 76 . 1 . 1 35 35 ASN CB C 13 38.800 0.000 . . . . . . . 301 N CB . 53908 1 77 . 1 . 1 35 35 ASN N N 15 118.627 0.000 . . . . . . . 301 N N . 53908 1 78 . 1 . 1 36 36 ASN H H 1 8.484 0.000 . . . . . . . 302 N H . 53908 1 79 . 1 . 1 36 36 ASN CA C 13 53.440 0.000 . . . . . . . 302 N CA . 53908 1 80 . 1 . 1 36 36 ASN CB C 13 38.710 0.000 . . . . . . . 302 N CB . 53908 1 81 . 1 . 1 36 36 ASN N N 15 119.177 0.000 . . . . . . . 302 N N . 53908 1 82 . 1 . 1 37 37 GLN H H 1 8.360 0.000 . . . . . . . 303 Q H . 53908 1 83 . 1 . 1 37 37 GLN CA C 13 56.270 0.000 . . . . . . . 303 Q CA . 53908 1 84 . 1 . 1 37 37 GLN CB C 13 29.210 0.000 . . . . . . . 303 Q CB . 53908 1 85 . 1 . 1 37 37 GLN N N 15 120.511 0.000 . . . . . . . 303 Q N . 53908 1 86 . 1 . 1 38 38 GLY H H 1 8.462 0.000 . . . . . . . 304 G H . 53908 1 87 . 1 . 1 38 38 GLY CA C 13 45.420 0.000 . . . . . . . 304 G CA . 53908 1 88 . 1 . 1 38 38 GLY N N 15 109.871 0.000 . . . . . . . 304 G N . 53908 1 89 . 1 . 1 39 39 SER H H 1 8.203 0.000 . . . . . . . 305 S H . 53908 1 90 . 1 . 1 39 39 SER CA C 13 58.490 0.000 . . . . . . . 305 S CA . 53908 1 91 . 1 . 1 39 39 SER CB C 13 64.050 0.000 . . . . . . . 305 S CB . 53908 1 92 . 1 . 1 39 39 SER N N 15 115.446 0.000 . . . . . . . 305 S N . 53908 1 93 . 1 . 1 40 40 ASN H H 1 8.520 0.000 . . . . . . . 306 N H . 53908 1 94 . 1 . 1 40 40 ASN CA C 13 53.370 0.000 . . . . . . . 306 N CA . 53908 1 95 . 1 . 1 40 40 ASN CB C 13 38.670 0.000 . . . . . . . 306 N CB . 53908 1 96 . 1 . 1 40 40 ASN N N 15 120.566 0.000 . . . . . . . 306 N N . 53908 1 97 . 1 . 1 41 41 SME H H 1 8.480 0.000 . . . . . . . 307 M H . 53908 1 98 . 1 . 1 41 41 SME CA C 13 55.490 0.000 . . . . . . . 307 M CA . 53908 1 99 . 1 . 1 41 41 SME CB C 13 26.550 0.000 . . . . . . . 307 M CB . 53908 1 100 . 1 . 1 41 41 SME N N 15 119.557 0.000 . . . . . . . 307 M N . 53908 1 101 . 1 . 1 42 42 GLY H H 1 8.421 0.000 . . . . . . . 308 G H . 53908 1 102 . 1 . 1 42 42 GLY CA C 13 45.430 0.000 . . . . . . . 308 G CA . 53908 1 103 . 1 . 1 42 42 GLY N N 15 109.667 0.000 . . . . . . . 308 G N . 53908 1 104 . 1 . 1 43 43 GLY H H 1 8.282 0.000 . . . . . . . 309 G H . 53908 1 105 . 1 . 1 43 43 GLY CA C 13 45.360 0.000 . . . . . . . 309 G CA . 53908 1 106 . 1 . 1 43 43 GLY N N 15 108.725 0.000 . . . . . . . 309 G N . 53908 1 107 . 1 . 1 44 44 GLY H H 1 8.310 0.000 . . . . . . . 310 G H . 53908 1 108 . 1 . 1 44 44 GLY CA C 13 45.350 0.000 . . . . . . . 310 G CA . 53908 1 109 . 1 . 1 44 44 GLY N N 15 108.875 0.000 . . . . . . . 310 G N . 53908 1 110 . 1 . 1 45 45 SME H H 1 8.375 0.000 . . . . . . . 311 M H . 53908 1 111 . 1 . 1 45 45 SME CA C 13 55.160 0.000 . . . . . . . 311 M CA . 53908 1 112 . 1 . 1 45 45 SME CB C 13 26.820 0.000 . . . . . . . 311 M CB . 53908 1 113 . 1 . 1 45 45 SME N N 15 118.654 0.000 . . . . . . . 311 M N . 53908 1 114 . 1 . 1 46 46 ASN H H 1 8.429 0.000 . . . . . . . 312 N H . 53908 1 115 . 1 . 1 46 46 ASN CA C 13 53.270 0.000 . . . . . . . 312 N CA . 53908 1 116 . 1 . 1 46 46 ASN CB C 13 38.760 0.000 . . . . . . . 312 N CB . 53908 1 117 . 1 . 1 46 46 ASN N N 15 119.711 0.000 . . . . . . . 312 N N . 53908 1 118 . 1 . 1 47 47 PHE H H 1 8.274 0.000 . . . . . . . 313 F H . 53908 1 119 . 1 . 1 47 47 PHE CA C 13 58.260 0.000 . . . . . . . 313 F CA . 53908 1 120 . 1 . 1 47 47 PHE CB C 13 39.250 0.000 . . . . . . . 313 F CB . 53908 1 121 . 1 . 1 47 47 PHE N N 15 121.047 0.000 . . . . . . . 313 F N . 53908 1 122 . 1 . 1 48 48 GLY H H 1 8.305 0.000 . . . . . . . 314 G H . 53908 1 123 . 1 . 1 48 48 GLY CA C 13 45.440 0.000 . . . . . . . 314 G CA . 53908 1 124 . 1 . 1 48 48 GLY N N 15 110.234 0.000 . . . . . . . 314 G N . 53908 1 125 . 1 . 1 49 49 ALA H H 1 8.029 0.000 . . . . . . . 315 A H . 53908 1 126 . 1 . 1 49 49 ALA CA C 13 52.660 0.000 . . . . . . . 315 A CA . 53908 1 127 . 1 . 1 49 49 ALA CB C 13 18.960 0.000 . . . . . . . 315 A CB . 53908 1 128 . 1 . 1 49 49 ALA N N 15 123.728 0.000 . . . . . . . 315 A N . 53908 1 129 . 1 . 1 50 50 PHE H H 1 8.093 0.000 . . . . . . . 316 F H . 53908 1 130 . 1 . 1 50 50 PHE CA C 13 57.440 0.000 . . . . . . . 316 F CA . 53908 1 131 . 1 . 1 50 50 PHE CB C 13 39.630 0.000 . . . . . . . 316 F CB . 53908 1 132 . 1 . 1 50 50 PHE N N 15 118.659 0.000 . . . . . . . 316 F N . 53908 1 133 . 1 . 1 51 51 SER H H 1 8.081 0.000 . . . . . . . 317 S H . 53908 1 134 . 1 . 1 51 51 SER CA C 13 58.230 0.000 . . . . . . . 317 S CA . 53908 1 135 . 1 . 1 51 51 SER CB C 13 64.090 0.000 . . . . . . . 317 S CB . 53908 1 136 . 1 . 1 51 51 SER N N 15 117.175 0.000 . . . . . . . 317 S N . 53908 1 137 . 1 . 1 52 52 ILE H H 1 8.085 0.000 . . . . . . . 318 I H . 53908 1 138 . 1 . 1 52 52 ILE CA C 13 61.260 0.000 . . . . . . . 318 I CA . 53908 1 139 . 1 . 1 52 52 ILE CB C 13 38.920 0.000 . . . . . . . 318 I CB . 53908 1 140 . 1 . 1 52 52 ILE N N 15 121.974 0.000 . . . . . . . 318 I N . 53908 1 141 . 1 . 1 53 53 ASN H H 1 8.474 0.000 . . . . . . . 319 N H . 53908 1 142 . 1 . 1 53 53 ASN CA C 13 51.200 0.000 . . . . . . . 319 N CA . 53908 1 143 . 1 . 1 53 53 ASN CB C 13 38.850 0.000 . . . . . . . 319 N CB . 53908 1 144 . 1 . 1 53 53 ASN N N 15 123.630 0.000 . . . . . . . 319 N N . 53908 1 145 . 1 . 1 54 54 PRO CA C 13 63.990 0.000 . . . . . . . 320 P CA . 53908 1 146 . 1 . 1 54 54 PRO CB C 13 32.010 0.000 . . . . . . . 320 P CB . 53908 1 147 . 1 . 1 55 55 ALA H H 1 8.192 0.000 . . . . . . . 321 A H . 53908 1 148 . 1 . 1 55 55 ALA CA C 13 53.310 0.000 . . . . . . . 321 A CA . 53908 1 149 . 1 . 1 55 55 ALA CB C 13 18.630 0.000 . . . . . . . 321 A CB . 53908 1 150 . 1 . 1 55 55 ALA N N 15 122.396 0.000 . . . . . . . 321 A N . 53908 1 151 . 1 . 1 56 56 SME H H 1 8.256 0.000 . . . . . . . 322 M H . 53908 1 152 . 1 . 1 56 56 SME CA C 13 55.920 0.000 . . . . . . . 322 M CA . 53908 1 153 . 1 . 1 56 56 SME CB C 13 26.790 0.000 . . . . . . . 322 M CB . 53908 1 154 . 1 . 1 56 56 SME N N 15 118.127 0.000 . . . . . . . 322 M N . 53908 1 155 . 1 . 1 57 57 SME H H 1 8.448 0.000 . . . . . . . 323 M H . 53908 1 156 . 1 . 1 57 57 SME CA C 13 56.020 0.000 . . . . . . . 323 M CA . 53908 1 157 . 1 . 1 57 57 SME CB C 13 26.690 0.000 . . . . . . . 323 M CB . 53908 1 158 . 1 . 1 57 57 SME N N 15 120.865 0.000 . . . . . . . 323 M N . 53908 1 159 . 1 . 1 58 58 ALA H H 1 8.401 0.000 . . . . . . . 324 A H . 53908 1 160 . 1 . 1 58 58 ALA CA C 13 53.310 0.000 . . . . . . . 324 A CA . 53908 1 161 . 1 . 1 58 58 ALA CB C 13 18.760 0.000 . . . . . . . 324 A CB . 53908 1 162 . 1 . 1 58 58 ALA N N 15 125.176 0.000 . . . . . . . 324 A N . 53908 1 163 . 1 . 1 59 59 ALA H H 1 8.227 0.000 . . . . . . . 325 A H . 53908 1 164 . 1 . 1 59 59 ALA CA C 13 53.270 0.000 . . . . . . . 325 A CA . 53908 1 165 . 1 . 1 59 59 ALA CB C 13 18.810 0.000 . . . . . . . 325 A CB . 53908 1 166 . 1 . 1 59 59 ALA N N 15 123.122 0.000 . . . . . . . 325 A N . 53908 1 167 . 1 . 1 60 60 ALA H H 1 8.181 0.000 . . . . . . . 326 A H . 53908 1 168 . 1 . 1 60 60 ALA CA C 13 53.300 0.000 . . . . . . . 326 A CA . 53908 1 169 . 1 . 1 60 60 ALA CB C 13 18.760 0.000 . . . . . . . 326 A CB . 53908 1 170 . 1 . 1 60 60 ALA N N 15 122.857 0.000 . . . . . . . 326 A N . 53908 1 171 . 1 . 1 61 61 GLN H H 1 8.189 0.000 . . . . . . . 327 Q H . 53908 1 172 . 1 . 1 61 61 GLN CA C 13 56.610 0.000 . . . . . . . 327 Q CA . 53908 1 173 . 1 . 1 61 61 GLN CB C 13 29.140 0.000 . . . . . . . 327 Q CB . 53908 1 174 . 1 . 1 61 61 GLN N N 15 118.945 0.000 . . . . . . . 327 Q N . 53908 1 175 . 1 . 1 62 62 ALA H H 1 8.187 0.000 . . . . . . . 328 A H . 53908 1 176 . 1 . 1 62 62 ALA CA C 13 53.380 0.000 . . . . . . . 328 A CA . 53908 1 177 . 1 . 1 62 62 ALA CB C 13 18.740 0.000 . . . . . . . 328 A CB . 53908 1 178 . 1 . 1 62 62 ALA N N 15 124.471 0.000 . . . . . . . 328 A N . 53908 1 179 . 1 . 1 63 63 ALA H H 1 8.081 0.000 . . . . . . . 329 A H . 53908 1 180 . 1 . 1 63 63 ALA CA C 13 53.130 0.000 . . . . . . . 329 A CA . 53908 1 181 . 1 . 1 63 63 ALA CB C 13 18.740 0.000 . . . . . . . 329 A CB . 53908 1 182 . 1 . 1 63 63 ALA N N 15 122.175 0.000 . . . . . . . 329 A N . 53908 1 183 . 1 . 1 64 64 LEU H H 1 7.986 0.000 . . . . . . . 330 L H . 53908 1 184 . 1 . 1 64 64 LEU CA C 13 55.810 0.000 . . . . . . . 330 L CA . 53908 1 185 . 1 . 1 64 64 LEU CB C 13 42.340 0.000 . . . . . . . 330 L CB . 53908 1 186 . 1 . 1 64 64 LEU N N 15 120.627 0.000 . . . . . . . 330 L N . 53908 1 187 . 1 . 1 65 65 GLN H H 1 8.179 0.000 . . . . . . . 331 Q H . 53908 1 188 . 1 . 1 65 65 GLN CA C 13 56.110 0.000 . . . . . . . 331 Q CA . 53908 1 189 . 1 . 1 65 65 GLN CB C 13 29.140 0.000 . . . . . . . 331 Q CB . 53908 1 190 . 1 . 1 65 65 GLN N N 15 120.267 0.000 . . . . . . . 331 Q N . 53908 1 191 . 1 . 1 66 66 SER H H 1 8.225 0.000 . . . . . . . 332 S H . 53908 1 192 . 1 . 1 66 66 SER CA C 13 58.650 0.000 . . . . . . . 332 S CA . 53908 1 193 . 1 . 1 66 66 SER CB C 13 64.000 0.000 . . . . . . . 332 S CB . 53908 1 194 . 1 . 1 66 66 SER N N 15 116.350 0.000 . . . . . . . 332 S N . 53908 1 195 . 1 . 1 67 67 SER H H 1 8.189 0.000 . . . . . . . 333 S H . 53908 1 196 . 1 . 1 67 67 SER CA C 13 58.750 0.000 . . . . . . . 333 S CA . 53908 1 197 . 1 . 1 67 67 SER CB C 13 63.890 0.000 . . . . . . . 333 S CB . 53908 1 198 . 1 . 1 67 67 SER N N 15 117.325 0.000 . . . . . . . 333 S N . 53908 1 199 . 1 . 1 68 68 TRP H H 1 8.083 0.000 . . . . . . . 334 W H . 53908 1 200 . 1 . 1 68 68 TRP CA C 13 57.780 0.000 . . . . . . . 334 W CA . 53908 1 201 . 1 . 1 68 68 TRP CB C 13 29.400 0.000 . . . . . . . 334 W CB . 53908 1 202 . 1 . 1 68 68 TRP N N 15 122.749 0.000 . . . . . . . 334 W N . 53908 1 203 . 1 . 1 69 69 GLY H H 1 8.211 0.000 . . . . . . . 335 G H . 53908 1 204 . 1 . 1 69 69 GLY CA C 13 45.410 0.000 . . . . . . . 335 G CA . 53908 1 205 . 1 . 1 69 69 GLY N N 15 109.735 0.000 . . . . . . . 335 G N . 53908 1 206 . 1 . 1 70 70 SME H H 1 8.225 0.000 . . . . . . . 336 M H . 53908 1 207 . 1 . 1 70 70 SME CA C 13 55.490 0.000 . . . . . . . 336 M CA . 53908 1 208 . 1 . 1 70 70 SME CB C 13 26.640 0.000 . . . . . . . 336 M CB . 53908 1 209 . 1 . 1 70 70 SME N N 15 118.605 0.000 . . . . . . . 336 M N . 53908 1 210 . 1 . 1 71 71 SME H H 1 8.563 0.000 . . . . . . . 337 M H . 53908 1 211 . 1 . 1 71 71 SME CA C 13 55.840 0.000 . . . . . . . 337 M CA . 53908 1 212 . 1 . 1 71 71 SME CB C 13 26.660 0.000 . . . . . . . 337 M CB . 53908 1 213 . 1 . 1 71 71 SME N N 15 120.029 0.000 . . . . . . . 337 M N . 53908 1 214 . 1 . 1 72 72 GLY H H 1 8.430 0.000 . . . . . . . 338 G H . 53908 1 215 . 1 . 1 72 72 GLY CA C 13 45.390 0.000 . . . . . . . 338 G CA . 53908 1 216 . 1 . 1 72 72 GLY N N 15 109.702 0.000 . . . . . . . 338 G N . 53908 1 217 . 1 . 1 73 73 SME H H 1 8.316 0.000 . . . . . . . 339 M H . 53908 1 218 . 1 . 1 73 73 SME CA C 13 55.350 0.000 . . . . . . . 339 M CA . 53908 1 219 . 1 . 1 73 73 SME CB C 13 26.880 0.000 . . . . . . . 339 M CB . 53908 1 220 . 1 . 1 73 73 SME N N 15 118.941 0.000 . . . . . . . 339 M N . 53908 1 221 . 1 . 1 74 74 LEU H H 1 8.336 0.000 . . . . . . . 340 L H . 53908 1 222 . 1 . 1 74 74 LEU CA C 13 55.510 0.000 . . . . . . . 340 L CA . 53908 1 223 . 1 . 1 74 74 LEU CB C 13 42.520 0.000 . . . . . . . 340 L CB . 53908 1 224 . 1 . 1 74 74 LEU N N 15 123.556 0.000 . . . . . . . 340 L N . 53908 1 225 . 1 . 1 75 75 ALA H H 1 8.349 0.000 . . . . . . . 341 A H . 53908 1 226 . 1 . 1 75 75 ALA CA C 13 53.010 0.000 . . . . . . . 341 A CA . 53908 1 227 . 1 . 1 75 75 ALA CB C 13 18.920 0.000 . . . . . . . 341 A CB . 53908 1 228 . 1 . 1 75 75 ALA N N 15 124.958 0.000 . . . . . . . 341 A N . 53908 1 229 . 1 . 1 76 76 SER H H 1 8.182 0.000 . . . . . . . 342 S H . 53908 1 230 . 1 . 1 76 76 SER CA C 13 58.630 0.000 . . . . . . . 342 S CA . 53908 1 231 . 1 . 1 76 76 SER CB C 13 63.900 0.000 . . . . . . . 342 S CB . 53908 1 232 . 1 . 1 76 76 SER N N 15 114.440 0.000 . . . . . . . 342 S N . 53908 1 233 . 1 . 1 77 77 GLN H H 1 8.320 0.000 . . . . . . . 343 Q H . 53908 1 234 . 1 . 1 77 77 GLN CA C 13 56.060 0.000 . . . . . . . 343 Q CA . 53908 1 235 . 1 . 1 77 77 GLN CB C 13 29.330 0.000 . . . . . . . 343 Q CB . 53908 1 236 . 1 . 1 77 77 GLN N N 15 121.824 0.000 . . . . . . . 343 Q N . 53908 1 237 . 1 . 1 78 78 GLN H H 1 8.325 0.000 . . . . . . . 344 Q H . 53908 1 238 . 1 . 1 78 78 GLN CA C 13 56.010 0.000 . . . . . . . 344 Q CA . 53908 1 239 . 1 . 1 78 78 GLN CB C 13 29.320 0.000 . . . . . . . 344 Q CB . 53908 1 240 . 1 . 1 78 78 GLN N N 15 120.828 0.000 . . . . . . . 344 Q N . 53908 1 241 . 1 . 1 79 79 ASN H H 1 8.459 0.000 . . . . . . . 345 N H . 53908 1 242 . 1 . 1 79 79 ASN CA C 13 53.360 0.000 . . . . . . . 345 N CA . 53908 1 243 . 1 . 1 79 79 ASN CB C 13 38.810 0.000 . . . . . . . 345 N CB . 53908 1 244 . 1 . 1 79 79 ASN N N 15 119.643 0.000 . . . . . . . 345 N N . 53908 1 245 . 1 . 1 80 80 GLN H H 1 8.398 0.000 . . . . . . . 346 Q H . 53908 1 246 . 1 . 1 80 80 GLN CA C 13 56.050 0.000 . . . . . . . 346 Q CA . 53908 1 247 . 1 . 1 80 80 GLN CB C 13 29.350 0.000 . . . . . . . 346 Q CB . 53908 1 248 . 1 . 1 80 80 GLN N N 15 120.899 0.000 . . . . . . . 346 Q N . 53908 1 249 . 1 . 1 81 81 SER H H 1 8.362 0.000 . . . . . . . 347 S H . 53908 1 250 . 1 . 1 81 81 SER CA C 13 58.640 0.000 . . . . . . . 347 S CA . 53908 1 251 . 1 . 1 81 81 SER CB C 13 64.080 0.000 . . . . . . . 347 S CB . 53908 1 252 . 1 . 1 81 81 SER N N 15 116.858 0.000 . . . . . . . 347 S N . 53908 1 253 . 1 . 1 82 82 GLY H H 1 8.216 0.000 . . . . . . . 348 G H . 53908 1 254 . 1 . 1 82 82 GLY CA C 13 44.720 0.000 . . . . . . . 348 G CA . 53908 1 255 . 1 . 1 82 82 GLY N N 15 110.578 0.000 . . . . . . . 348 G N . 53908 1 256 . 1 . 1 83 83 PRO CA C 13 63.340 0.000 . . . . . . . 349 P CA . 53908 1 257 . 1 . 1 83 83 PRO CB C 13 31.950 0.000 . . . . . . . 349 P CB . 53908 1 258 . 1 . 1 84 84 SER H H 1 8.463 0.000 . . . . . . . 350 S H . 53908 1 259 . 1 . 1 84 84 SER CA C 13 58.620 0.000 . . . . . . . 350 S CA . 53908 1 260 . 1 . 1 84 84 SER CB C 13 64.090 0.000 . . . . . . . 350 S CB . 53908 1 261 . 1 . 1 84 84 SER N N 15 116.013 0.000 . . . . . . . 350 S N . 53908 1 262 . 1 . 1 85 85 GLY H H 1 8.345 0.000 . . . . . . . 351 G H . 53908 1 263 . 1 . 1 85 85 GLY CA C 13 45.460 0.000 . . . . . . . 351 G CA . 53908 1 264 . 1 . 1 85 85 GLY N N 15 110.465 0.000 . . . . . . . 351 G N . 53908 1 265 . 1 . 1 86 86 ASN H H 1 8.302 0.000 . . . . . . . 352 N H . 53908 1 266 . 1 . 1 86 86 ASN CA C 13 53.300 0.000 . . . . . . . 352 N CA . 53908 1 267 . 1 . 1 86 86 ASN CB C 13 38.740 0.000 . . . . . . . 352 N CB . 53908 1 268 . 1 . 1 86 86 ASN N N 15 118.556 0.000 . . . . . . . 352 N N . 53908 1 269 . 1 . 1 87 87 ASN H H 1 8.458 0.000 . . . . . . . 353 N H . 53908 1 270 . 1 . 1 87 87 ASN CA C 13 53.420 0.000 . . . . . . . 353 N CA . 53908 1 271 . 1 . 1 87 87 ASN CB C 13 38.740 0.000 . . . . . . . 353 N CB . 53908 1 272 . 1 . 1 87 87 ASN N N 15 119.214 0.000 . . . . . . . 353 N N . 53908 1 273 . 1 . 1 88 88 GLN H H 1 8.373 0.000 . . . . . . . 354 Q H . 53908 1 274 . 1 . 1 88 88 GLN CA C 13 56.200 0.000 . . . . . . . 354 Q CA . 53908 1 275 . 1 . 1 88 88 GLN CB C 13 29.200 0.000 . . . . . . . 354 Q CB . 53908 1 276 . 1 . 1 88 88 GLN N N 15 120.226 0.000 . . . . . . . 354 Q N . 53908 1 277 . 1 . 1 89 89 ASN H H 1 8.445 0.000 . . . . . . . 355 N H . 53908 1 278 . 1 . 1 89 89 ASN CA C 13 53.430 0.000 . . . . . . . 355 N CA . 53908 1 279 . 1 . 1 89 89 ASN CB C 13 38.730 0.000 . . . . . . . 355 N CB . 53908 1 280 . 1 . 1 89 89 ASN N N 15 119.168 0.000 . . . . . . . 355 N N . 53908 1 281 . 1 . 1 90 90 GLN H H 1 8.381 0.000 . . . . . . . 356 Q H . 53908 1 282 . 1 . 1 90 90 GLN CA C 13 56.220 0.000 . . . . . . . 356 Q CA . 53908 1 283 . 1 . 1 90 90 GLN CB C 13 29.310 0.000 . . . . . . . 356 Q CB . 53908 1 284 . 1 . 1 90 90 GLN N N 15 120.147 0.000 . . . . . . . 356 Q N . 53908 1 285 . 1 . 1 91 91 GLY H H 1 8.426 0.000 . . . . . . . 357 G H . 53908 1 286 . 1 . 1 91 91 GLY CA C 13 45.450 0.000 . . . . . . . 357 G CA . 53908 1 287 . 1 . 1 91 91 GLY N N 15 109.411 0.000 . . . . . . . 357 G N . 53908 1 288 . 1 . 1 92 92 ASN H H 1 8.317 0.000 . . . . . . . 358 N H . 53908 1 289 . 1 . 1 92 92 ASN CA C 13 53.350 0.000 . . . . . . . 358 N CA . 53908 1 290 . 1 . 1 92 92 ASN CB C 13 38.760 0.000 . . . . . . . 358 N CB . 53908 1 291 . 1 . 1 92 92 ASN N N 15 118.589 0.000 . . . . . . . 358 N N . 53908 1 292 . 1 . 1 93 93 SME H H 1 8.463 0.000 . . . . . . . 359 M H . 53908 1 293 . 1 . 1 93 93 SME CA C 13 55.630 0.000 . . . . . . . 359 M CA . 53908 1 294 . 1 . 1 93 93 SME CB C 13 26.660 0.000 . . . . . . . 359 M CB . 53908 1 295 . 1 . 1 93 93 SME N N 15 119.692 0.000 . . . . . . . 359 M N . 53908 1 296 . 1 . 1 94 94 GLN H H 1 8.296 0.000 . . . . . . . 360 Q H . 53908 1 297 . 1 . 1 94 94 GLN CA C 13 55.990 0.000 . . . . . . . 360 Q CA . 53908 1 298 . 1 . 1 94 94 GLN CB C 13 29.310 0.000 . . . . . . . 360 Q CB . 53908 1 299 . 1 . 1 94 94 GLN N N 15 121.318 0.000 . . . . . . . 360 Q N . 53908 1 300 . 1 . 1 95 95 ARG H H 1 8.372 0.002 . . . . . . . 361 R H . 53908 1 301 . 1 . 1 95 95 ARG CA C 13 56.044 0.000 . . . . . . . 361 R CA . 53908 1 302 . 1 . 1 95 95 ARG CB C 13 30.937 0.000 . . . . . . . 361 R CB . 53908 1 303 . 1 . 1 95 95 ARG N N 15 122.650 0.039 . . . . . . . 361 R N . 53908 1 304 . 1 . 1 96 96 GLU H H 1 8.459 0.001 . . . . . . . 362 E H . 53908 1 305 . 1 . 1 96 96 GLU CA C 13 54.590 0.000 . . . . . . . 362 E CA . 53908 1 306 . 1 . 1 96 96 GLU CB C 13 29.483 0.000 . . . . . . . 362 E CB . 53908 1 307 . 1 . 1 96 96 GLU N N 15 123.365 0.027 . . . . . . . 362 E N . 53908 1 308 . 1 . 1 98 98 ASN H H 1 8.493 0.000 . . . . . . . 364 N H . 53908 1 309 . 1 . 1 98 98 ASN N N 15 118.054 0.000 . . . . . . . 364 N N . 53908 1 310 . 1 . 1 99 99 GLN H H 1 8.240 0.000 . . . . . . . 365 Q H . 53908 1 311 . 1 . 1 99 99 GLN N N 15 120.783 0.000 . . . . . . . 365 Q N . 53908 1 312 . 1 . 1 100 100 ALA H H 1 8.241 0.000 . . . . . . . 366 A H . 53908 1 313 . 1 . 1 100 100 ALA N N 15 124.907 0.000 . . . . . . . 366 A N . 53908 1 314 . 1 . 1 101 101 PHE H H 1 8.162 0.000 . . . . . . . 367 F H . 53908 1 315 . 1 . 1 101 101 PHE N N 15 119.459 0.000 . . . . . . . 367 F N . 53908 1 316 . 1 . 1 102 102 GLY H H 1 8.293 0.000 . . . . . . . 368 G H . 53908 1 317 . 1 . 1 102 102 GLY N N 15 110.884 0.000 . . . . . . . 368 G N . 53908 1 318 . 1 . 1 103 103 SER H H 1 8.227 0.000 . . . . . . . 369 S H . 53908 1 319 . 1 . 1 103 103 SER N N 15 115.606 0.000 . . . . . . . 369 S N . 53908 1 320 . 1 . 1 104 104 GLY H H 1 8.477 0.000 . . . . . . . 370 G H . 53908 1 321 . 1 . 1 104 104 GLY N N 15 110.690 0.000 . . . . . . . 370 G N . 53908 1 322 . 1 . 1 105 105 ASN H H 1 8.295 0.000 . . . . . . . 371 N H . 53908 1 323 . 1 . 1 105 105 ASN N N 15 118.525 0.000 . . . . . . . 371 N N . 53908 1 324 . 1 . 1 106 106 ASN H H 1 8.425 0.000 . . . . . . . 372 N H . 53908 1 325 . 1 . 1 106 106 ASN N N 15 119.357 0.000 . . . . . . . 372 N N . 53908 1 326 . 1 . 1 107 107 SER H H 1 8.207 0.000 . . . . . . . 373 S H . 53908 1 327 . 1 . 1 107 107 SER N N 15 115.812 0.000 . . . . . . . 373 S N . 53908 1 328 . 1 . 1 108 108 TYR H H 1 8.195 0.000 . . . . . . . 374 Y H . 53908 1 329 . 1 . 1 108 108 TYR N N 15 122.096 0.000 . . . . . . . 374 Y N . 53908 1 330 . 1 . 1 109 109 SER H H 1 8.223 0.000 . . . . . . . 375 S H . 53908 1 331 . 1 . 1 109 109 SER N N 15 117.982 0.000 . . . . . . . 375 S N . 53908 1 332 . 1 . 1 110 110 GLY H H 1 7.880 0.000 . . . . . . . 376 G H . 53908 1 333 . 1 . 1 110 110 GLY N N 15 110.455 0.000 . . . . . . . 376 G N . 53908 1 334 . 1 . 1 111 111 SER H H 1 8.197 0.000 . . . . . . . 377 S H . 53908 1 335 . 1 . 1 111 111 SER N N 15 115.611 0.000 . . . . . . . 377 S N . 53908 1 336 . 1 . 1 112 112 ASN H H 1 8.504 0.000 . . . . . . . 378 N H . 53908 1 337 . 1 . 1 112 112 ASN N N 15 120.871 0.000 . . . . . . . 378 N N . 53908 1 338 . 1 . 1 113 113 SER H H 1 8.279 0.000 . . . . . . . 379 S H . 53908 1 339 . 1 . 1 113 113 SER N N 15 116.138 0.000 . . . . . . . 379 S N . 53908 1 340 . 1 . 1 114 114 GLY H H 1 8.379 0.000 . . . . . . . 380 G H . 53908 1 341 . 1 . 1 114 114 GLY N N 15 110.816 0.000 . . . . . . . 380 G N . 53908 1 342 . 1 . 1 115 115 ALA H H 1 7.985 0.000 . . . . . . . 381 A H . 53908 1 343 . 1 . 1 115 115 ALA N N 15 123.591 0.000 . . . . . . . 381 A N . 53908 1 344 . 1 . 1 116 116 ALA H H 1 8.153 0.000 . . . . . . . 382 A H . 53908 1 345 . 1 . 1 116 116 ALA N N 15 123.178 0.000 . . . . . . . 382 A N . 53908 1 346 . 1 . 1 117 117 ILE H H 1 7.973 0.000 . . . . . . . 383 I H . 53908 1 347 . 1 . 1 117 117 ILE N N 15 119.662 0.000 . . . . . . . 383 I N . 53908 1 348 . 1 . 1 118 118 GLY H H 1 8.291 0.000 . . . . . . . 384 G H . 53908 1 349 . 1 . 1 118 118 GLY N N 15 112.381 0.000 . . . . . . . 384 G N . 53908 1 350 . 1 . 1 119 119 TRP H H 1 8.046 0.000 . . . . . . . 385 W H . 53908 1 351 . 1 . 1 119 119 TRP N N 15 121.262 0.000 . . . . . . . 385 W N . 53908 1 352 . 1 . 1 120 120 GLY H H 1 8.272 0.000 . . . . . . . 386 G H . 53908 1 353 . 1 . 1 120 120 GLY N N 15 110.732 0.000 . . . . . . . 386 G N . 53908 1 354 . 1 . 1 121 121 SER H H 1 8.100 0.000 . . . . . . . 387 S H . 53908 1 355 . 1 . 1 121 121 SER N N 15 115.699 0.000 . . . . . . . 387 S N . 53908 1 356 . 1 . 1 122 122 ALA H H 1 8.366 0.000 . . . . . . . 388 A H . 53908 1 357 . 1 . 1 122 122 ALA N N 15 125.776 0.000 . . . . . . . 388 A N . 53908 1 358 . 1 . 1 123 123 SER H H 1 8.212 0.000 . . . . . . . 389 S H . 53908 1 359 . 1 . 1 123 123 SER N N 15 114.561 0.000 . . . . . . . 389 S N . 53908 1 360 . 1 . 1 124 124 ASN H H 1 8.323 0.000 . . . . . . . 390 N H . 53908 1 361 . 1 . 1 124 124 ASN N N 15 120.617 0.000 . . . . . . . 390 N N . 53908 1 362 . 1 . 1 125 125 ALA H H 1 8.205 0.000 . . . . . . . 391 A H . 53908 1 363 . 1 . 1 125 125 ALA N N 15 124.139 0.000 . . . . . . . 391 A N . 53908 1 364 . 1 . 1 126 126 GLY H H 1 8.307 0.000 . . . . . . . 392 G H . 53908 1 365 . 1 . 1 126 126 GLY N N 15 107.944 0.000 . . . . . . . 392 G N . 53908 1 366 . 1 . 1 127 127 SER H H 1 8.200 0.000 . . . . . . . 393 S H . 53908 1 367 . 1 . 1 127 127 SER N N 15 115.372 0.000 . . . . . . . 393 S N . 53908 1 368 . 1 . 1 128 128 GLY H H 1 8.476 0.000 . . . . . . . 394 G H . 53908 1 369 . 1 . 1 128 128 GLY N N 15 110.980 0.000 . . . . . . . 394 G N . 53908 1 370 . 1 . 1 129 129 SER H H 1 8.239 0.000 . . . . . . . 395 S H . 53908 1 371 . 1 . 1 129 129 SER N N 15 115.622 0.000 . . . . . . . 395 S N . 53908 1 372 . 1 . 1 130 130 GLY H H 1 8.408 0.000 . . . . . . . 396 G H . 53908 1 373 . 1 . 1 130 130 GLY N N 15 110.620 0.000 . . . . . . . 396 G N . 53908 1 374 . 1 . 1 131 131 PHE H H 1 8.135 0.000 . . . . . . . 397 F H . 53908 1 375 . 1 . 1 131 131 PHE N N 15 120.340 0.000 . . . . . . . 397 F N . 53908 1 376 . 1 . 1 132 132 ASN H H 1 8.440 0.000 . . . . . . . 398 N H . 53908 1 377 . 1 . 1 132 132 ASN N N 15 121.628 0.000 . . . . . . . 398 N N . 53908 1 378 . 1 . 1 133 133 GLY H H 1 7.808 0.000 . . . . . . . 399 G H . 53908 1 379 . 1 . 1 133 133 GLY N N 15 108.620 0.000 . . . . . . . 399 G N . 53908 1 380 . 1 . 1 134 134 GLY H H 1 8.131 0.000 . . . . . . . 400 G H . 53908 1 381 . 1 . 1 134 134 GLY N N 15 108.392 0.000 . . . . . . . 400 G N . 53908 1 382 . 1 . 1 135 135 PHE H H 1 8.137 0.000 . . . . . . . 401 F H . 53908 1 383 . 1 . 1 135 135 PHE N N 15 120.019 0.000 . . . . . . . 401 F N . 53908 1 384 . 1 . 1 136 136 GLY H H 1 8.402 0.000 . . . . . . . 402 G H . 53908 1 385 . 1 . 1 136 136 GLY N N 15 110.843 0.000 . . . . . . . 402 G N . 53908 1 386 . 1 . 1 137 137 SER H H 1 8.188 0.000 . . . . . . . 403 S H . 53908 1 387 . 1 . 1 137 137 SER N N 15 115.609 0.000 . . . . . . . 403 S N . 53908 1 388 . 1 . 1 138 138 SER H H 1 8.433 0.001 . . . . . . . 404 S H . 53908 1 389 . 1 . 1 138 138 SER CA C 13 58.633 0.000 . . . . . . . 404 S CA . 53908 1 390 . 1 . 1 138 138 SER CB C 13 64.001 0.000 . . . . . . . 404 S CB . 53908 1 391 . 1 . 1 138 138 SER N N 15 117.632 0.027 . . . . . . . 404 S N . 53908 1 392 . 1 . 1 139 139 SME H H 1 8.514 0.000 . . . . . . . 405 M H . 53908 1 393 . 1 . 1 139 139 SME CA C 13 55.684 0.000 . . . . . . . 405 M CA . 53908 1 394 . 1 . 1 139 139 SME CB C 13 26.692 0.000 . . . . . . . 405 M CB . 53908 1 395 . 1 . 1 139 139 SME N N 15 120.988 0.016 . . . . . . . 405 M N . 53908 1 396 . 1 . 1 140 140 ASP H H 1 8.252 0.001 . . . . . . . 406 D H . 53908 1 397 . 1 . 1 140 140 ASP CA C 13 58.260 0.000 . . . . . . . 406 D CA . 53908 1 398 . 1 . 1 140 140 ASP CB C 13 39.277 0.000 . . . . . . . 406 D CB . 53908 1 399 . 1 . 1 140 140 ASP N N 15 120.925 0.028 . . . . . . . 406 D N . 53908 1 400 . 1 . 1 141 141 SER H H 1 8.280 0.001 . . . . . . . 407 S H . 53908 1 401 . 1 . 1 141 141 SER CA C 13 58.778 0.000 . . . . . . . 407 S CA . 53908 1 402 . 1 . 1 141 141 SER CB C 13 63.829 0.000 . . . . . . . 407 S CB . 53908 1 403 . 1 . 1 141 141 SER N N 15 116.718 0.020 . . . . . . . 407 S N . 53908 1 404 . 1 . 1 142 142 LYS H H 1 8.326 0.001 . . . . . . . 408 K H . 53908 1 405 . 1 . 1 142 142 LYS CA C 13 56.659 0.000 . . . . . . . 408 K CA . 53908 1 406 . 1 . 1 142 142 LYS CB C 13 32.613 0.000 . . . . . . . 408 K CB . 53908 1 407 . 1 . 1 142 142 LYS N N 15 122.721 0.029 . . . . . . . 408 K N . 53908 1 408 . 1 . 1 143 143 SER H H 1 8.216 0.000 . . . . . . . 409 S H . 53908 1 409 . 1 . 1 143 143 SER CA C 13 58.674 0.000 . . . . . . . 409 S CA . 53908 1 410 . 1 . 1 143 143 SER CB C 13 63.920 0.000 . . . . . . . 409 S CB . 53908 1 411 . 1 . 1 143 143 SER N N 15 116.293 0.037 . . . . . . . 409 S N . 53908 1 412 . 1 . 1 144 144 SER H H 1 8.292 0.001 . . . . . . . 410 S H . 53908 1 413 . 1 . 1 144 144 SER CA C 13 58.678 0.000 . . . . . . . 410 S CA . 53908 1 414 . 1 . 1 144 144 SER CB C 13 63.945 0.000 . . . . . . . 410 S CB . 53908 1 415 . 1 . 1 144 144 SER N N 15 117.576 0.026 . . . . . . . 410 S N . 53908 1 416 . 1 . 1 145 145 GLY H H 1 8.304 0.000 . . . . . . . 411 G H . 53908 1 417 . 1 . 1 145 145 GLY CA C 13 45.389 0.000 . . . . . . . 411 G CA . 53908 1 418 . 1 . 1 145 145 GLY N N 15 110.390 0.014 . . . . . . . 411 G N . 53908 1 419 . 1 . 1 146 146 TRP H H 1 8.019 0.002 . . . . . . . 412 W H . 53908 1 420 . 1 . 1 146 146 TRP CA C 13 57.496 0.000 . . . . . . . 412 W CA . 53908 1 421 . 1 . 1 146 146 TRP CB C 13 29.500 0.000 . . . . . . . 412 W CB . 53908 1 422 . 1 . 1 146 146 TRP N N 15 120.876 0.022 . . . . . . . 412 W N . 53908 1 423 . 1 . 1 147 147 GLY H H 1 8.261 0.001 . . . . . . . 413 G H . 53908 1 424 . 1 . 1 147 147 GLY CA C 13 45.457 0.000 . . . . . . . 413 G CA . 53908 1 425 . 1 . 1 147 147 GLY N N 15 111.305 0.031 . . . . . . . 413 G N . 53908 1 426 . 1 . 1 148 148 SME H H 1 7.777 0.001 . . . . . . . 414 M H . 53908 1 427 . 1 . 1 148 148 SME CA C 13 56.518 0.000 . . . . . . . 414 M CA . 53908 1 428 . 1 . 1 148 148 SME CB C 13 27.547 0.000 . . . . . . . 414 M CB . 53908 1 429 . 1 . 1 148 148 SME N N 15 123.542 0.009 . . . . . . . 414 M N . 53908 1 stop_ save_