################################### # 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_cs-Q331K_TDP-43_267-414 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs-Q331K_TDP-43_267-414 _Assigned_chem_shift_list.Entry_ID 26829 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $298_K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 26829 1 2 '3D HNCACB' . . . 26829 1 3 '3D CBCA(CO)NH' . . . 26829 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 $NMRPipe . . 26829 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5 5 ARG CA C 13 56.464 0.000 . . . . . . 268 R CA . 26829 1 2 . 1 1 5 5 ARG CB C 13 30.573 0.023 . . . . . . 268 R CB . 26829 1 3 . 1 1 6 6 GLN H H 1 8.409 0.001 . . . . . . 269 Q H . 26829 1 4 . 1 1 6 6 GLN CA C 13 56.231 0.037 . . . . . . 269 Q CA . 26829 1 5 . 1 1 6 6 GLN CB C 13 29.152 0.030 . . . . . . 269 Q CB . 26829 1 6 . 1 1 6 6 GLN N N 15 121.123 0.006 . . . . . . 269 Q N . 26829 1 7 . 1 1 7 7 LEU H H 1 8.204 0.001 . . . . . . 270 L H . 26829 1 8 . 1 1 7 7 LEU CA C 13 55.413 0.050 . . . . . . 270 L CA . 26829 1 9 . 1 1 7 7 LEU CB C 13 42.301 0.023 . . . . . . 270 L CB . 26829 1 10 . 1 1 7 7 LEU N N 15 122.951 0.015 . . . . . . 270 L N . 26829 1 11 . 1 1 8 8 GLU H H 1 8.328 0.001 . . . . . . 271 E H . 26829 1 12 . 1 1 8 8 GLU CA C 13 56.769 0.007 . . . . . . 271 E CA . 26829 1 13 . 1 1 8 8 GLU CB C 13 30.212 0.018 . . . . . . 271 E CB . 26829 1 14 . 1 1 8 8 GLU N N 15 121.861 0.007 . . . . . . 271 E N . 26829 1 15 . 1 1 9 9 ARG H H 1 8.371 0.001 . . . . . . 272 R H . 26829 1 16 . 1 1 9 9 ARG CA C 13 56.373 0.093 . . . . . . 272 R CA . 26829 1 17 . 1 1 9 9 ARG CB C 13 30.593 0.035 . . . . . . 272 R CB . 26829 1 18 . 1 1 9 9 ARG N N 15 121.878 0.011 . . . . . . 272 R N . 26829 1 19 . 1 1 10 10 SER H H 1 8.281 0.002 . . . . . . 273 S H . 26829 1 20 . 1 1 10 10 SER CA C 13 58.590 0.000 . . . . . . 273 S CA . 26829 1 21 . 1 1 10 10 SER CB C 13 64.018 0.000 . . . . . . 273 S CB . 26829 1 22 . 1 1 10 10 SER N N 15 116.330 0.018 . . . . . . 273 S N . 26829 1 23 . 1 1 11 11 GLY CA C 13 45.390 0.016 . . . . . . 274 G CA . 26829 1 24 . 1 1 12 12 ARG H H 1 8.071 0.003 . . . . . . 275 R H . 26829 1 25 . 1 1 12 12 ARG CA C 13 56.319 0.051 . . . . . . 275 R CA . 26829 1 26 . 1 1 12 12 ARG CB C 13 30.657 0.011 . . . . . . 275 R CB . 26829 1 27 . 1 1 12 12 ARG N N 15 120.356 0.003 . . . . . . 275 R N . 26829 1 28 . 1 1 13 13 PHE H H 1 8.318 0.002 . . . . . . 276 F H . 26829 1 29 . 1 1 13 13 PHE CA C 13 57.577 0.052 . . . . . . 276 F CA . 26829 1 30 . 1 1 13 13 PHE CB C 13 39.398 0.025 . . . . . . 276 F CB . 26829 1 31 . 1 1 13 13 PHE N N 15 120.889 0.027 . . . . . . 276 F N . 26829 1 32 . 1 1 14 14 GLY H H 1 8.271 0.005 . . . . . . 277 G H . 26829 1 33 . 1 1 14 14 GLY CA C 13 45.392 0.043 . . . . . . 277 G CA . 26829 1 34 . 1 1 14 14 GLY N N 15 110.733 0.045 . . . . . . 277 G N . 26829 1 35 . 1 1 15 15 GLY H H 1 7.895 0.001 . . . . . . 278 G H . 26829 1 36 . 1 1 15 15 GLY CA C 13 44.988 0.037 . . . . . . 278 G CA . 26829 1 37 . 1 1 15 15 GLY N N 15 107.835 0.003 . . . . . . 278 G N . 26829 1 38 . 1 1 16 16 ASN H H 1 8.339 0.001 . . . . . . 279 N H . 26829 1 39 . 1 1 16 16 ASN CA C 13 51.361 0.000 . . . . . . 279 N CA . 26829 1 40 . 1 1 16 16 ASN CB C 13 38.875 0.000 . . . . . . 279 N CB . 26829 1 41 . 1 1 16 16 ASN N N 15 119.030 0.005 . . . . . . 279 N N . 26829 1 42 . 1 1 17 17 PRO CA C 13 63.862 0.051 . . . . . . 280 P CA . 26829 1 43 . 1 1 17 17 PRO CB C 13 31.912 0.012 . . . . . . 280 P CB . 26829 1 44 . 1 1 18 18 GLY H H 1 8.388 0.001 . . . . . . 281 G H . 26829 1 45 . 1 1 18 18 GLY CA C 13 45.239 0.043 . . . . . . 281 G CA . 26829 1 46 . 1 1 18 18 GLY N N 15 108.634 0.008 . . . . . . 281 G N . 26829 1 47 . 1 1 19 19 GLY H H 1 8.041 0.007 . . . . . . 282 G H . 26829 1 48 . 1 1 19 19 GLY CA C 13 45.147 0.009 . . . . . . 282 G CA . 26829 1 49 . 1 1 19 19 GLY N N 15 108.130 0.031 . . . . . . 282 G N . 26829 1 50 . 1 1 20 20 PHE H H 1 8.140 0.001 . . . . . . 283 F H . 26829 1 51 . 1 1 20 20 PHE CA C 13 58.001 0.000 . . . . . . 283 F CA . 26829 1 52 . 1 1 20 20 PHE CB C 13 39.569 0.000 . . . . . . 283 F CB . 26829 1 53 . 1 1 20 20 PHE N N 15 119.713 0.018 . . . . . . 283 F N . 26829 1 54 . 1 1 21 21 GLY CA C 13 45.440 0.020 . . . . . . 284 G CA . 26829 1 55 . 1 1 22 22 ASN H H 1 8.271 0.003 . . . . . . 285 N H . 26829 1 56 . 1 1 22 22 ASN CA C 13 53.324 0.048 . . . . . . 285 N CA . 26829 1 57 . 1 1 22 22 ASN CB C 13 38.808 0.010 . . . . . . 285 N CB . 26829 1 58 . 1 1 22 22 ASN N N 15 118.586 0.069 . . . . . . 285 N N . 26829 1 59 . 1 1 23 23 GLN H H 1 8.454 0.001 . . . . . . 286 Q H . 26829 1 60 . 1 1 23 23 GLN CA C 13 56.233 0.014 . . . . . . 286 Q CA . 26829 1 61 . 1 1 23 23 GLN CB C 13 29.217 0.026 . . . . . . 286 Q CB . 26829 1 62 . 1 1 23 23 GLN N N 15 120.475 0.017 . . . . . . 286 Q N . 26829 1 63 . 1 1 24 24 GLY H H 1 8.382 0.004 . . . . . . 287 G H . 26829 1 64 . 1 1 24 24 GLY CA C 13 45.500 0.026 . . . . . . 287 G CA . 26829 1 65 . 1 1 24 24 GLY N N 15 109.430 0.030 . . . . . . 287 G N . 26829 1 66 . 1 1 25 25 GLY H H 1 8.031 0.002 . . . . . . 288 G H . 26829 1 67 . 1 1 25 25 GLY CA C 13 45.147 0.009 . . . . . . 288 G CA . 26829 1 68 . 1 1 25 25 GLY N N 15 108.103 0.017 . . . . . . 288 G N . 26829 1 69 . 1 1 26 26 PHE H H 1 8.142 0.004 . . . . . . 289 F H . 26829 1 70 . 1 1 26 26 PHE CA C 13 58.001 0.000 . . . . . . 289 F CA . 26829 1 71 . 1 1 26 26 PHE CB C 13 39.569 0.000 . . . . . . 289 F CB . 26829 1 72 . 1 1 26 26 PHE N N 15 119.699 0.021 . . . . . . 289 F N . 26829 1 73 . 1 1 27 27 GLY CA C 13 45.440 0.020 . . . . . . 290 G CA . 26829 1 74 . 1 1 28 28 ASN H H 1 8.273 0.001 . . . . . . 291 N H . 26829 1 75 . 1 1 28 28 ASN CA C 13 53.189 0.077 . . . . . . 291 N CA . 26829 1 76 . 1 1 28 28 ASN CB C 13 38.913 0.069 . . . . . . 291 N CB . 26829 1 77 . 1 1 28 28 ASN N N 15 118.561 0.020 . . . . . . 291 N N . 26829 1 78 . 1 1 29 29 SER H H 1 8.311 0.001 . . . . . . 292 S H . 26829 1 79 . 1 1 29 29 SER CA C 13 58.731 0.030 . . . . . . 292 S CA . 26829 1 80 . 1 1 29 29 SER CB C 13 63.733 0.006 . . . . . . 292 S CB . 26829 1 81 . 1 1 29 29 SER N N 15 116.160 0.027 . . . . . . 292 S N . 26829 1 82 . 1 1 30 30 ARG H H 1 8.371 0.000 . . . . . . 293 R H . 26829 1 83 . 1 1 30 30 ARG CA C 13 56.333 0.037 . . . . . . 293 R CA . 26829 1 84 . 1 1 30 30 ARG CB C 13 30.518 0.012 . . . . . . 293 R CB . 26829 1 85 . 1 1 30 30 ARG N N 15 122.444 0.011 . . . . . . 293 R N . 26829 1 86 . 1 1 31 31 GLY H H 1 8.324 0.001 . . . . . . 294 G H . 26829 1 87 . 1 1 31 31 GLY CA C 13 45.343 0.011 . . . . . . 294 G CA . 26829 1 88 . 1 1 31 31 GLY N N 15 109.472 0.011 . . . . . . 294 G N . 26829 1 89 . 1 1 32 32 GLY H H 1 8.265 0.007 . . . . . . 295 G H . 26829 1 90 . 1 1 32 32 GLY CA C 13 45.366 0.029 . . . . . . 295 G CA . 26829 1 91 . 1 1 32 32 GLY N N 15 108.585 0.060 . . . . . . 295 G N . 26829 1 92 . 1 1 33 33 GLY H H 1 8.275 0.000 . . . . . . 296 G H . 26829 1 93 . 1 1 33 33 GLY CA C 13 45.265 0.052 . . . . . . 296 G CA . 26829 1 94 . 1 1 33 33 GLY N N 15 108.516 0.012 . . . . . . 296 G N . 26829 1 95 . 1 1 34 34 ALA H H 1 8.234 0.001 . . . . . . 297 A H . 26829 1 96 . 1 1 34 34 ALA CA C 13 52.625 0.016 . . . . . . 297 A CA . 26829 1 97 . 1 1 34 34 ALA CB C 13 19.260 0.019 . . . . . . 297 A CB . 26829 1 98 . 1 1 34 34 ALA N N 15 123.634 0.006 . . . . . . 297 A N . 26829 1 99 . 1 1 35 35 GLY H H 1 8.358 0.001 . . . . . . 298 G H . 26829 1 100 . 1 1 35 35 GLY CA C 13 45.372 0.013 . . . . . . 298 G CA . 26829 1 101 . 1 1 35 35 GLY N N 15 107.962 0.016 . . . . . . 298 G N . 26829 1 102 . 1 1 36 36 LEU H H 1 8.098 0.002 . . . . . . 299 L H . 26829 1 103 . 1 1 36 36 LEU CA C 13 55.214 0.029 . . . . . . 299 L CA . 26829 1 104 . 1 1 36 36 LEU CB C 13 42.379 0.050 . . . . . . 299 L CB . 26829 1 105 . 1 1 36 36 LEU N N 15 121.280 0.007 . . . . . . 299 L N . 26829 1 106 . 1 1 37 37 GLY H H 1 8.414 0.002 . . . . . . 300 G H . 26829 1 107 . 1 1 37 37 GLY CA C 13 45.448 0.000 . . . . . . 300 G CA . 26829 1 108 . 1 1 37 37 GLY N N 15 109.111 0.010 . . . . . . 300 G N . 26829 1 109 . 1 1 38 38 ASN CA C 13 53.157 0.000 . . . . . . 301 N CA . 26829 1 110 . 1 1 38 38 ASN CB C 13 38.800 0.000 . . . . . . 301 N CB . 26829 1 111 . 1 1 39 39 ASN H H 1 8.460 0.002 . . . . . . 302 N H . 26829 1 112 . 1 1 39 39 ASN CA C 13 53.438 0.018 . . . . . . 302 N CA . 26829 1 113 . 1 1 39 39 ASN CB C 13 38.722 0.007 . . . . . . 302 N CB . 26829 1 114 . 1 1 39 39 ASN N N 15 119.020 0.004 . . . . . . 302 N N . 26829 1 115 . 1 1 40 40 GLN H H 1 8.336 0.001 . . . . . . 303 Q H . 26829 1 116 . 1 1 40 40 GLN CA C 13 56.276 0.059 . . . . . . 303 Q CA . 26829 1 117 . 1 1 40 40 GLN CB C 13 29.241 0.025 . . . . . . 303 Q CB . 26829 1 118 . 1 1 40 40 GLN N N 15 120.368 0.011 . . . . . . 303 Q N . 26829 1 119 . 1 1 41 41 GLY H H 1 8.386 0.006 . . . . . . 304 G H . 26829 1 120 . 1 1 41 41 GLY CA C 13 45.474 0.000 . . . . . . 304 G CA . 26829 1 121 . 1 1 41 41 GLY N N 15 109.465 0.025 . . . . . . 304 G N . 26829 1 122 . 1 1 42 42 SER CA C 13 58.413 0.000 . . . . . . 305 S CA . 26829 1 123 . 1 1 42 42 SER CB C 13 63.921 0.013 . . . . . . 305 S CB . 26829 1 124 . 1 1 43 43 ASN H H 1 8.494 0.002 . . . . . . 306 N H . 26829 1 125 . 1 1 43 43 ASN CA C 13 53.355 0.071 . . . . . . 306 N CA . 26829 1 126 . 1 1 43 43 ASN CB C 13 38.552 0.018 . . . . . . 306 N CB . 26829 1 127 . 1 1 43 43 ASN N N 15 120.438 0.011 . . . . . . 306 N N . 26829 1 128 . 1 1 44 44 MET H H 1 8.305 0.003 . . . . . . 307 M H . 26829 1 129 . 1 1 44 44 MET CA C 13 55.716 0.064 . . . . . . 307 M CA . 26829 1 130 . 1 1 44 44 MET CB C 13 32.542 0.029 . . . . . . 307 M CB . 26829 1 131 . 1 1 44 44 MET N N 15 120.322 0.068 . . . . . . 307 M N . 26829 1 132 . 1 1 45 45 GLY H H 1 8.374 0.002 . . . . . . 308 G H . 26829 1 133 . 1 1 45 45 GLY CA C 13 45.485 0.011 . . . . . . 308 G CA . 26829 1 134 . 1 1 45 45 GLY N N 15 109.543 0.043 . . . . . . 308 G N . 26829 1 135 . 1 1 46 46 GLY H H 1 8.235 0.001 . . . . . . 309 G H . 26829 1 136 . 1 1 46 46 GLY CA C 13 45.394 0.055 . . . . . . 309 G CA . 26829 1 137 . 1 1 46 46 GLY N N 15 108.585 0.005 . . . . . . 309 G N . 26829 1 138 . 1 1 47 47 GLY H H 1 8.292 0.001 . . . . . . 310 G H . 26829 1 139 . 1 1 47 47 GLY CA C 13 45.277 0.010 . . . . . . 310 G CA . 26829 1 140 . 1 1 47 47 GLY N N 15 108.777 0.005 . . . . . . 310 G N . 26829 1 141 . 1 1 48 48 MET H H 1 8.175 0.001 . . . . . . 311 M H . 26829 1 142 . 1 1 48 48 MET CA C 13 55.420 0.036 . . . . . . 311 M CA . 26829 1 143 . 1 1 48 48 MET CB C 13 32.797 0.016 . . . . . . 311 M CB . 26829 1 144 . 1 1 48 48 MET N N 15 119.361 0.005 . . . . . . 311 M N . 26829 1 145 . 1 1 49 49 ASN H H 1 8.316 0.001 . . . . . . 312 N H . 26829 1 146 . 1 1 49 49 ASN CA C 13 53.016 0.077 . . . . . . 312 N CA . 26829 1 147 . 1 1 49 49 ASN CB C 13 38.767 0.003 . . . . . . 312 N CB . 26829 1 148 . 1 1 49 49 ASN N N 15 119.397 0.020 . . . . . . 312 N N . 26829 1 149 . 1 1 50 50 PHE H H 1 8.210 0.001 . . . . . . 313 F H . 26829 1 150 . 1 1 50 50 PHE CA C 13 58.168 0.027 . . . . . . 313 F CA . 26829 1 151 . 1 1 50 50 PHE CB C 13 39.322 0.013 . . . . . . 313 F CB . 26829 1 152 . 1 1 50 50 PHE N N 15 120.881 0.008 . . . . . . 313 F N . 26829 1 153 . 1 1 51 51 GLY H H 1 8.282 0.001 . . . . . . 314 G H . 26829 1 154 . 1 1 51 51 GLY CA C 13 45.472 0.006 . . . . . . 314 G CA . 26829 1 155 . 1 1 51 51 GLY N N 15 109.883 0.012 . . . . . . 314 G N . 26829 1 156 . 1 1 52 52 ALA H H 1 7.994 0.002 . . . . . . 315 A H . 26829 1 157 . 1 1 52 52 ALA CA C 13 52.687 0.047 . . . . . . 315 A CA . 26829 1 158 . 1 1 52 52 ALA CB C 13 19.065 0.022 . . . . . . 315 A CB . 26829 1 159 . 1 1 52 52 ALA N N 15 123.581 0.007 . . . . . . 315 A N . 26829 1 160 . 1 1 53 53 PHE H H 1 8.027 0.002 . . . . . . 316 F H . 26829 1 161 . 1 1 53 53 PHE CA C 13 57.530 0.028 . . . . . . 316 F CA . 26829 1 162 . 1 1 53 53 PHE CB C 13 39.517 0.010 . . . . . . 316 F CB . 26829 1 163 . 1 1 53 53 PHE N N 15 118.160 0.004 . . . . . . 316 F N . 26829 1 164 . 1 1 54 54 SER H H 1 8.011 0.002 . . . . . . 317 S H . 26829 1 165 . 1 1 54 54 SER CA C 13 58.277 0.078 . . . . . . 317 S CA . 26829 1 166 . 1 1 54 54 SER CB C 13 63.972 0.014 . . . . . . 317 S CB . 26829 1 167 . 1 1 54 54 SER N N 15 116.595 0.007 . . . . . . 317 S N . 26829 1 168 . 1 1 55 55 ILE H H 1 7.988 0.002 . . . . . . 318 I H . 26829 1 169 . 1 1 55 55 ILE CA C 13 60.866 0.040 . . . . . . 318 I CA . 26829 1 170 . 1 1 55 55 ILE CB C 13 38.943 0.020 . . . . . . 318 I CB . 26829 1 171 . 1 1 55 55 ILE N N 15 121.370 0.004 . . . . . . 318 I N . 26829 1 172 . 1 1 56 56 ASN H H 1 8.244 0.001 . . . . . . 319 N H . 26829 1 173 . 1 1 56 56 ASN CA C 13 51.251 0.000 . . . . . . 319 N CA . 26829 1 174 . 1 1 56 56 ASN CB C 13 38.932 0.000 . . . . . . 319 N CB . 26829 1 175 . 1 1 56 56 ASN N N 15 123.403 0.003 . . . . . . 319 N N . 26829 1 176 . 1 1 57 57 PRO CA C 13 64.726 0.036 . . . . . . 320 P CA . 26829 1 177 . 1 1 57 57 PRO CB C 13 32.032 0.005 . . . . . . 320 P CB . 26829 1 178 . 1 1 58 58 ALA H H 1 8.125 0.001 . . . . . . 321 A H . 26829 1 179 . 1 1 58 58 ALA CA C 13 53.943 0.083 . . . . . . 321 A CA . 26829 1 180 . 1 1 58 58 ALA CB C 13 18.447 0.038 . . . . . . 321 A CB . 26829 1 181 . 1 1 58 58 ALA N N 15 121.222 0.012 . . . . . . 321 A N . 26829 1 182 . 1 1 59 59 MET H H 1 7.955 0.001 . . . . . . 322 M H . 26829 1 183 . 1 1 59 59 MET CA C 13 56.485 0.017 . . . . . . 322 M CA . 26829 1 184 . 1 1 59 59 MET CB C 13 32.701 0.097 . . . . . . 322 M CB . 26829 1 185 . 1 1 59 59 MET N N 15 118.116 0.018 . . . . . . 322 M N . 26829 1 186 . 1 1 60 60 MET H H 1 7.968 0.002 . . . . . . 323 M H . 26829 1 187 . 1 1 60 60 MET CA C 13 57.045 0.054 . . . . . . 323 M CA . 26829 1 188 . 1 1 60 60 MET CB C 13 32.583 0.072 . . . . . . 323 M CB . 26829 1 189 . 1 1 60 60 MET N N 15 120.284 0.044 . . . . . . 323 M N . 26829 1 190 . 1 1 61 61 ALA H H 1 8.163 0.001 . . . . . . 324 A H . 26829 1 191 . 1 1 61 61 ALA CA C 13 53.950 0.024 . . . . . . 324 A CA . 26829 1 192 . 1 1 61 61 ALA CB C 13 18.408 0.002 . . . . . . 324 A CB . 26829 1 193 . 1 1 61 61 ALA N N 15 123.261 0.012 . . . . . . 324 A N . 26829 1 194 . 1 1 62 62 ALA H H 1 8.036 0.002 . . . . . . 325 A H . 26829 1 195 . 1 1 62 62 ALA CA C 13 53.838 0.035 . . . . . . 325 A CA . 26829 1 196 . 1 1 62 62 ALA CB C 13 18.476 0.019 . . . . . . 325 A CB . 26829 1 197 . 1 1 62 62 ALA N N 15 121.957 0.005 . . . . . . 325 A N . 26829 1 198 . 1 1 63 63 ALA H H 1 8.021 0.002 . . . . . . 326 A H . 26829 1 199 . 1 1 63 63 ALA CA C 13 53.815 0.027 . . . . . . 326 A CA . 26829 1 200 . 1 1 63 63 ALA CB C 13 18.582 0.025 . . . . . . 326 A CB . 26829 1 201 . 1 1 63 63 ALA N N 15 121.973 0.006 . . . . . . 326 A N . 26829 1 202 . 1 1 64 64 GLN H H 1 8.073 0.001 . . . . . . 327 Q H . 26829 1 203 . 1 1 64 64 GLN CA C 13 57.347 0.025 . . . . . . 327 Q CA . 26829 1 204 . 1 1 64 64 GLN CB C 13 28.834 0.021 . . . . . . 327 Q CB . 26829 1 205 . 1 1 64 64 GLN N N 15 117.843 0.006 . . . . . . 327 Q N . 26829 1 206 . 1 1 65 65 ALA H H 1 8.025 0.002 . . . . . . 328 A H . 26829 1 207 . 1 1 65 65 ALA CA C 13 53.784 0.011 . . . . . . 328 A CA . 26829 1 208 . 1 1 65 65 ALA CB C 13 18.552 0.010 . . . . . . 328 A CB . 26829 1 209 . 1 1 65 65 ALA N N 15 122.958 0.010 . . . . . . 328 A N . 26829 1 210 . 1 1 66 66 ALA H H 1 7.897 0.001 . . . . . . 329 A H . 26829 1 211 . 1 1 66 66 ALA CA C 13 53.365 0.055 . . . . . . 329 A CA . 26829 1 212 . 1 1 66 66 ALA CB C 13 18.683 0.020 . . . . . . 329 A CB . 26829 1 213 . 1 1 66 66 ALA N N 15 121.105 0.006 . . . . . . 329 A N . 26829 1 214 . 1 1 67 67 LEU H H 1 7.800 0.001 . . . . . . 330 L H . 26829 1 215 . 1 1 67 67 LEU CA C 13 55.959 0.021 . . . . . . 330 L CA . 26829 1 216 . 1 1 67 67 LEU CB C 13 42.127 0.032 . . . . . . 330 L CB . 26829 1 217 . 1 1 67 67 LEU N N 15 119.775 0.006 . . . . . . 330 L N . 26829 1 218 . 1 1 68 68 LYS H H 1 7.964 0.002 . . . . . . 331 K H . 26829 1 219 . 1 1 68 68 LYS CA C 13 57.095 0.069 . . . . . . 331 K CA . 26829 1 220 . 1 1 68 68 LYS CB C 13 32.629 0.015 . . . . . . 331 K CB . 26829 1 221 . 1 1 68 68 LYS N N 15 120.174 0.041 . . . . . . 331 K N . 26829 1 222 . 1 1 69 69 SER H H 1 8.050 0.002 . . . . . . 332 S H . 26829 1 223 . 1 1 69 69 SER CA C 13 58.823 0.003 . . . . . . 332 S CA . 26829 1 224 . 1 1 69 69 SER CB C 13 63.748 0.020 . . . . . . 332 S CB . 26829 1 225 . 1 1 69 69 SER N N 15 115.258 0.013 . . . . . . 332 S N . 26829 1 226 . 1 1 70 70 SER H H 1 8.135 0.002 . . . . . . 333 S H . 26829 1 227 . 1 1 70 70 SER CA C 13 58.975 0.096 . . . . . . 333 S CA . 26829 1 228 . 1 1 70 70 SER CB C 13 63.679 0.030 . . . . . . 333 S CB . 26829 1 229 . 1 1 70 70 SER N N 15 117.251 0.003 . . . . . . 333 S N . 26829 1 230 . 1 1 71 71 TRP H H 1 8.052 0.002 . . . . . . 334 W H . 26829 1 231 . 1 1 71 71 TRP CA C 13 57.885 0.043 . . . . . . 334 W CA . 26829 1 232 . 1 1 71 71 TRP CB C 13 29.471 0.026 . . . . . . 334 W CB . 26829 1 233 . 1 1 71 71 TRP N N 15 122.490 0.007 . . . . . . 334 W N . 26829 1 234 . 1 1 72 72 GLY H H 1 8.166 0.001 . . . . . . 335 G H . 26829 1 235 . 1 1 72 72 GLY CA C 13 45.714 0.040 . . . . . . 335 G CA . 26829 1 236 . 1 1 72 72 GLY N N 15 109.425 0.008 . . . . . . 335 G N . 26829 1 237 . 1 1 73 73 MET H H 1 8.046 0.001 . . . . . . 336 M H . 26829 1 238 . 1 1 73 73 MET CA C 13 55.995 0.022 . . . . . . 336 M CA . 26829 1 239 . 1 1 73 73 MET CB C 13 32.694 0.121 . . . . . . 336 M CB . 26829 1 240 . 1 1 73 73 MET N N 15 119.600 0.021 . . . . . . 336 M N . 26829 1 241 . 1 1 74 74 MET H H 1 8.268 0.000 . . . . . . 337 M H . 26829 1 242 . 1 1 74 74 MET CA C 13 56.155 0.025 . . . . . . 337 M CA . 26829 1 243 . 1 1 74 74 MET CB C 13 32.535 0.115 . . . . . . 337 M CB . 26829 1 244 . 1 1 74 74 MET N N 15 119.806 0.005 . . . . . . 337 M N . 26829 1 245 . 1 1 75 75 GLY H H 1 8.264 0.001 . . . . . . 338 G H . 26829 1 246 . 1 1 75 75 GLY CA C 13 45.692 0.014 . . . . . . 338 G CA . 26829 1 247 . 1 1 75 75 GLY N N 15 109.066 0.012 . . . . . . 338 G N . 26829 1 248 . 1 1 76 76 MET H H 1 8.047 0.002 . . . . . . 339 M H . 26829 1 249 . 1 1 76 76 MET CA C 13 55.987 0.030 . . . . . . 339 M CA . 26829 1 250 . 1 1 76 76 MET CB C 13 32.852 0.027 . . . . . . 339 M CB . 26829 1 251 . 1 1 76 76 MET N N 15 119.621 0.022 . . . . . . 339 M N . 26829 1 252 . 1 1 77 77 LEU H H 1 8.153 0.001 . . . . . . 340 L H . 26829 1 253 . 1 1 77 77 LEU CA C 13 55.497 0.045 . . . . . . 340 L CA . 26829 1 254 . 1 1 77 77 LEU CB C 13 42.229 0.013 . . . . . . 340 L CB . 26829 1 255 . 1 1 77 77 LEU N N 15 122.333 0.011 . . . . . . 340 L N . 26829 1 256 . 1 1 78 78 ALA H H 1 8.196 0.005 . . . . . . 341 A H . 26829 1 257 . 1 1 78 78 ALA CA C 13 53.070 0.034 . . . . . . 341 A CA . 26829 1 258 . 1 1 78 78 ALA CB C 13 19.005 0.057 . . . . . . 341 A CB . 26829 1 259 . 1 1 78 78 ALA N N 15 124.081 0.030 . . . . . . 341 A N . 26829 1 260 . 1 1 79 79 SER H H 1 8.085 0.001 . . . . . . 342 S H . 26829 1 261 . 1 1 79 79 SER CA C 13 58.749 0.020 . . . . . . 342 S CA . 26829 1 262 . 1 1 79 79 SER CB C 13 63.688 0.020 . . . . . . 342 S CB . 26829 1 263 . 1 1 79 79 SER N N 15 113.777 0.010 . . . . . . 342 S N . 26829 1 264 . 1 1 80 80 GLN H H 1 8.201 0.001 . . . . . . 343 Q H . 26829 1 265 . 1 1 80 80 GLN CA C 13 56.150 0.046 . . . . . . 343 Q CA . 26829 1 266 . 1 1 80 80 GLN CB C 13 29.270 0.012 . . . . . . 343 Q CB . 26829 1 267 . 1 1 80 80 GLN N N 15 121.408 0.018 . . . . . . 343 Q N . 26829 1 268 . 1 1 81 81 GLN H H 1 8.234 0.000 . . . . . . 344 Q H . 26829 1 269 . 1 1 81 81 GLN CA C 13 56.165 0.013 . . . . . . 344 Q CA . 26829 1 270 . 1 1 81 81 GLN CB C 13 29.329 0.013 . . . . . . 344 Q CB . 26829 1 271 . 1 1 81 81 GLN N N 15 120.333 0.001 . . . . . . 344 Q N . 26829 1 272 . 1 1 82 82 ASN H H 1 8.399 0.003 . . . . . . 345 N H . 26829 1 273 . 1 1 82 82 ASN CA C 13 53.438 0.022 . . . . . . 345 N CA . 26829 1 274 . 1 1 82 82 ASN CB C 13 38.805 0.025 . . . . . . 345 N CB . 26829 1 275 . 1 1 82 82 ASN N N 15 119.255 0.012 . . . . . . 345 N N . 26829 1 276 . 1 1 83 83 GLN H H 1 8.354 0.001 . . . . . . 346 Q H . 26829 1 277 . 1 1 83 83 GLN CA C 13 56.046 0.044 . . . . . . 346 Q CA . 26829 1 278 . 1 1 83 83 GLN CB C 13 29.400 0.013 . . . . . . 346 Q CB . 26829 1 279 . 1 1 83 83 GLN N N 15 120.655 0.006 . . . . . . 346 Q N . 26829 1 280 . 1 1 84 84 SER H H 1 8.337 0.001 . . . . . . 347 S H . 26829 1 281 . 1 1 84 84 SER CA C 13 58.442 0.028 . . . . . . 347 S CA . 26829 1 282 . 1 1 84 84 SER CB C 13 64.069 0.031 . . . . . . 347 S CB . 26829 1 283 . 1 1 84 84 SER N N 15 116.630 0.010 . . . . . . 347 S N . 26829 1 284 . 1 1 85 85 GLY H H 1 8.189 0.001 . . . . . . 348 G H . 26829 1 285 . 1 1 85 85 GLY CA C 13 44.707 0.000 . . . . . . 348 G CA . 26829 1 286 . 1 1 85 85 GLY N N 15 110.453 0.009 . . . . . . 348 G N . 26829 1 287 . 1 1 86 86 PRO CA C 13 63.443 0.000 . . . . . . 349 P CA . 26829 1 288 . 1 1 86 86 PRO CB C 13 32.055 0.025 . . . . . . 349 P CB . 26829 1 289 . 1 1 87 87 SER H H 1 8.443 0.002 . . . . . . 350 S H . 26829 1 290 . 1 1 87 87 SER CA C 13 58.563 0.068 . . . . . . 350 S CA . 26829 1 291 . 1 1 87 87 SER CB C 13 63.950 0.037 . . . . . . 350 S CB . 26829 1 292 . 1 1 87 87 SER N N 15 115.844 0.005 . . . . . . 350 S N . 26829 1 293 . 1 1 88 88 GLY H H 1 8.322 0.000 . . . . . . 351 G H . 26829 1 294 . 1 1 88 88 GLY CA C 13 45.453 0.026 . . . . . . 351 G CA . 26829 1 295 . 1 1 88 88 GLY N N 15 110.355 0.013 . . . . . . 351 G N . 26829 1 296 . 1 1 89 89 ASN H H 1 8.276 0.006 . . . . . . 352 N H . 26829 1 297 . 1 1 89 89 ASN CA C 13 53.229 0.068 . . . . . . 352 N CA . 26829 1 298 . 1 1 89 89 ASN CB C 13 38.834 0.015 . . . . . . 352 N CB . 26829 1 299 . 1 1 89 89 ASN N N 15 118.536 0.032 . . . . . . 352 N N . 26829 1 300 . 1 1 90 90 ASN H H 1 8.431 0.002 . . . . . . 353 N H . 26829 1 301 . 1 1 90 90 ASN CA C 13 53.482 0.017 . . . . . . 353 N CA . 26829 1 302 . 1 1 90 90 ASN CB C 13 38.689 0.027 . . . . . . 353 N CB . 26829 1 303 . 1 1 90 90 ASN N N 15 119.056 0.012 . . . . . . 353 N N . 26829 1 304 . 1 1 91 91 GLN H H 1 8.360 0.003 . . . . . . 354 Q H . 26829 1 305 . 1 1 91 91 GLN CA C 13 56.263 0.023 . . . . . . 354 Q CA . 26829 1 306 . 1 1 91 91 GLN CB C 13 29.150 0.042 . . . . . . 354 Q CB . 26829 1 307 . 1 1 91 91 GLN N N 15 120.041 0.015 . . . . . . 354 Q N . 26829 1 308 . 1 1 92 92 ASN H H 1 8.427 0.002 . . . . . . 355 N H . 26829 1 309 . 1 1 92 92 ASN CA C 13 53.482 0.017 . . . . . . 355 N CA . 26829 1 310 . 1 1 92 92 ASN CB C 13 38.689 0.027 . . . . . . 355 N CB . 26829 1 311 . 1 1 92 92 ASN N N 15 119.032 0.015 . . . . . . 355 N N . 26829 1 312 . 1 1 93 93 GLN H H 1 8.358 0.002 . . . . . . 356 Q H . 26829 1 313 . 1 1 93 93 GLN CA C 13 56.293 0.008 . . . . . . 356 Q CA . 26829 1 314 . 1 1 93 93 GLN CB C 13 29.234 0.025 . . . . . . 356 Q CB . 26829 1 315 . 1 1 93 93 GLN N N 15 120.050 0.011 . . . . . . 356 Q N . 26829 1 316 . 1 1 94 94 GLY H H 1 8.407 0.002 . . . . . . 357 G H . 26829 1 317 . 1 1 94 94 GLY CA C 13 45.442 0.017 . . . . . . 357 G CA . 26829 1 318 . 1 1 94 94 GLY N N 15 109.221 0.040 . . . . . . 357 G N . 26829 1 319 . 1 1 95 95 ASN H H 1 8.272 0.002 . . . . . . 358 N H . 26829 1 320 . 1 1 95 95 ASN CA C 13 53.272 0.018 . . . . . . 358 N CA . 26829 1 321 . 1 1 95 95 ASN CB C 13 38.783 0.055 . . . . . . 358 N CB . 26829 1 322 . 1 1 95 95 ASN N N 15 118.531 0.041 . . . . . . 358 N N . 26829 1 323 . 1 1 96 96 MET H H 1 8.286 0.008 . . . . . . 359 M H . 26829 1 324 . 1 1 96 96 MET CA C 13 55.724 0.033 . . . . . . 359 M CA . 26829 1 325 . 1 1 96 96 MET CB C 13 32.695 0.044 . . . . . . 359 M CB . 26829 1 326 . 1 1 96 96 MET N N 15 120.390 0.050 . . . . . . 359 M N . 26829 1 327 . 1 1 97 97 GLN H H 1 8.329 0.001 . . . . . . 360 Q H . 26829 1 328 . 1 1 97 97 GLN CA C 13 55.896 0.006 . . . . . . 360 Q CA . 26829 1 329 . 1 1 97 97 GLN CB C 13 29.214 0.036 . . . . . . 360 Q CB . 26829 1 330 . 1 1 97 97 GLN N N 15 121.223 0.010 . . . . . . 360 Q N . 26829 1 331 . 1 1 98 98 ARG H H 1 8.287 0.001 . . . . . . 361 R H . 26829 1 332 . 1 1 98 98 ARG CA C 13 55.938 0.042 . . . . . . 361 R CA . 26829 1 333 . 1 1 98 98 ARG CB C 13 31.076 0.016 . . . . . . 361 R CB . 26829 1 334 . 1 1 98 98 ARG N N 15 122.314 0.008 . . . . . . 361 R N . 26829 1 335 . 1 1 99 99 GLU H H 1 8.416 0.001 . . . . . . 362 E H . 26829 1 336 . 1 1 99 99 GLU CA C 13 54.522 0.000 . . . . . . 362 E CA . 26829 1 337 . 1 1 99 99 GLU CB C 13 29.623 0.000 . . . . . . 362 E CB . 26829 1 338 . 1 1 99 99 GLU N N 15 123.158 0.012 . . . . . . 362 E N . 26829 1 339 . 1 1 100 100 PRO CA C 13 63.565 0.074 . . . . . . 363 P CA . 26829 1 340 . 1 1 100 100 PRO CB C 13 32.025 0.000 . . . . . . 363 P CB . 26829 1 341 . 1 1 101 101 ASN H H 1 8.470 0.002 . . . . . . 364 N H . 26829 1 342 . 1 1 101 101 ASN CA C 13 53.495 0.025 . . . . . . 364 N CA . 26829 1 343 . 1 1 101 101 ASN CB C 13 38.599 0.010 . . . . . . 364 N CB . 26829 1 344 . 1 1 101 101 ASN N N 15 117.847 0.010 . . . . . . 364 N N . 26829 1 345 . 1 1 102 102 GLN H H 1 8.210 0.001 . . . . . . 365 Q H . 26829 1 346 . 1 1 102 102 GLN CA C 13 55.928 0.055 . . . . . . 365 Q CA . 26829 1 347 . 1 1 102 102 GLN CB C 13 29.436 0.019 . . . . . . 365 Q CB . 26829 1 348 . 1 1 102 102 GLN N N 15 120.589 0.013 . . . . . . 365 Q N . 26829 1 349 . 1 1 103 103 ALA H H 1 8.221 0.000 . . . . . . 366 A H . 26829 1 350 . 1 1 103 103 ALA CA C 13 52.538 0.022 . . . . . . 366 A CA . 26829 1 351 . 1 1 103 103 ALA CB C 13 19.111 0.026 . . . . . . 366 A CB . 26829 1 352 . 1 1 103 103 ALA N N 15 124.745 0.011 . . . . . . 366 A N . 26829 1 353 . 1 1 104 104 PHE H H 1 8.142 0.001 . . . . . . 367 F H . 26829 1 354 . 1 1 104 104 PHE CA C 13 57.831 0.049 . . . . . . 367 F CA . 26829 1 355 . 1 1 104 104 PHE CB C 13 39.525 0.010 . . . . . . 367 F CB . 26829 1 356 . 1 1 104 104 PHE N N 15 119.289 0.012 . . . . . . 367 F N . 26829 1 357 . 1 1 105 105 GLY H H 1 8.253 0.007 . . . . . . 368 G H . 26829 1 358 . 1 1 105 105 GLY CA C 13 45.395 0.031 . . . . . . 368 G CA . 26829 1 359 . 1 1 105 105 GLY N N 15 110.620 0.043 . . . . . . 368 G N . 26829 1 360 . 1 1 106 106 SER H H 1 8.218 0.002 . . . . . . 369 S H . 26829 1 361 . 1 1 106 106 SER CA C 13 58.600 0.059 . . . . . . 369 S CA . 26829 1 362 . 1 1 106 106 SER CB C 13 63.972 0.020 . . . . . . 369 S CB . 26829 1 363 . 1 1 106 106 SER N N 15 115.508 0.009 . . . . . . 369 S N . 26829 1 364 . 1 1 107 107 GLY H H 1 8.461 0.002 . . . . . . 370 G H . 26829 1 365 . 1 1 107 107 GLY CA C 13 45.445 0.000 . . . . . . 370 G CA . 26829 1 366 . 1 1 107 107 GLY N N 15 110.670 0.079 . . . . . . 370 G N . 26829 1 367 . 1 1 108 108 ASN CA C 13 53.206 0.000 . . . . . . 371 N CA . 26829 1 368 . 1 1 108 108 ASN CB C 13 38.810 0.000 . . . . . . 371 N CB . 26829 1 369 . 1 1 109 109 ASN H H 1 8.403 0.001 . . . . . . 372 N H . 26829 1 370 . 1 1 109 109 ASN CA C 13 53.347 0.044 . . . . . . 372 N CA . 26829 1 371 . 1 1 109 109 ASN CB C 13 38.872 0.031 . . . . . . 372 N CB . 26829 1 372 . 1 1 109 109 ASN N N 15 119.236 0.014 . . . . . . 372 N N . 26829 1 373 . 1 1 110 110 SER H H 1 8.189 0.001 . . . . . . 373 S H . 26829 1 374 . 1 1 110 110 SER CA C 13 58.660 0.044 . . . . . . 373 S CA . 26829 1 375 . 1 1 110 110 SER CB C 13 63.768 0.001 . . . . . . 373 S CB . 26829 1 376 . 1 1 110 110 SER N N 15 115.678 0.010 . . . . . . 373 S N . 26829 1 377 . 1 1 111 111 TYR H H 1 8.179 0.001 . . . . . . 374 Y H . 26829 1 378 . 1 1 111 111 TYR CA C 13 58.019 0.040 . . . . . . 374 Y CA . 26829 1 379 . 1 1 111 111 TYR CB C 13 38.627 0.011 . . . . . . 374 Y CB . 26829 1 380 . 1 1 111 111 TYR N N 15 121.970 0.012 . . . . . . 374 Y N . 26829 1 381 . 1 1 112 112 SER H H 1 8.199 0.001 . . . . . . 375 S H . 26829 1 382 . 1 1 112 112 SER CA C 13 58.296 0.003 . . . . . . 375 S CA . 26829 1 383 . 1 1 112 112 SER CB C 13 63.914 0.018 . . . . . . 375 S CB . 26829 1 384 . 1 1 112 112 SER N N 15 117.822 0.010 . . . . . . 375 S N . 26829 1 385 . 1 1 113 113 GLY H H 1 7.864 0.001 . . . . . . 376 G H . 26829 1 386 . 1 1 113 113 GLY CA C 13 45.392 0.019 . . . . . . 376 G CA . 26829 1 387 . 1 1 113 113 GLY N N 15 110.351 0.006 . . . . . . 376 G N . 26829 1 388 . 1 1 114 114 SER H H 1 8.178 0.004 . . . . . . 377 S H . 26829 1 389 . 1 1 114 114 SER CA C 13 58.468 0.033 . . . . . . 377 S CA . 26829 1 390 . 1 1 114 114 SER CB C 13 63.923 0.038 . . . . . . 377 S CB . 26829 1 391 . 1 1 114 114 SER N N 15 115.395 0.080 . . . . . . 377 S N . 26829 1 392 . 1 1 115 115 ASN H H 1 8.483 0.003 . . . . . . 378 N H . 26829 1 393 . 1 1 115 115 ASN CA C 13 53.270 0.051 . . . . . . 378 N CA . 26829 1 394 . 1 1 115 115 ASN CB C 13 38.790 0.008 . . . . . . 378 N CB . 26829 1 395 . 1 1 115 115 ASN N N 15 120.708 0.047 . . . . . . 378 N N . 26829 1 396 . 1 1 116 116 SER H H 1 8.262 0.001 . . . . . . 379 S H . 26829 1 397 . 1 1 116 116 SER CA C 13 58.842 0.031 . . . . . . 379 S CA . 26829 1 398 . 1 1 116 116 SER CB C 13 63.829 0.034 . . . . . . 379 S CB . 26829 1 399 . 1 1 116 116 SER N N 15 116.006 0.009 . . . . . . 379 S N . 26829 1 400 . 1 1 117 117 GLY H H 1 8.363 0.002 . . . . . . 380 G H . 26829 1 401 . 1 1 117 117 GLY CA C 13 45.399 0.014 . . . . . . 380 G CA . 26829 1 402 . 1 1 117 117 GLY N N 15 110.709 0.010 . . . . . . 380 G N . 26829 1 403 . 1 1 118 118 ALA H H 1 7.965 0.002 . . . . . . 381 A H . 26829 1 404 . 1 1 118 118 ALA CA C 13 52.415 0.014 . . . . . . 381 A CA . 26829 1 405 . 1 1 118 118 ALA CB C 13 19.327 0.018 . . . . . . 381 A CB . 26829 1 406 . 1 1 118 118 ALA N N 15 123.483 0.005 . . . . . . 381 A N . 26829 1 407 . 1 1 119 119 ALA H H 1 8.128 0.001 . . . . . . 382 A H . 26829 1 408 . 1 1 119 119 ALA CA C 13 52.407 0.019 . . . . . . 382 A CA . 26829 1 409 . 1 1 119 119 ALA CB C 13 19.065 0.033 . . . . . . 382 A CB . 26829 1 410 . 1 1 119 119 ALA N N 15 123.002 0.003 . . . . . . 382 A N . 26829 1 411 . 1 1 120 120 ILE H H 1 7.946 0.002 . . . . . . 383 I H . 26829 1 412 . 1 1 120 120 ILE CA C 13 61.299 0.048 . . . . . . 383 I CA . 26829 1 413 . 1 1 120 120 ILE CB C 13 38.681 0.028 . . . . . . 383 I CB . 26829 1 414 . 1 1 120 120 ILE N N 15 119.463 0.006 . . . . . . 383 I N . 26829 1 415 . 1 1 121 121 GLY H H 1 8.266 0.001 . . . . . . 384 G H . 26829 1 416 . 1 1 121 121 GLY CA C 13 45.259 0.018 . . . . . . 384 G CA . 26829 1 417 . 1 1 121 121 GLY N N 15 112.237 0.009 . . . . . . 384 G N . 26829 1 418 . 1 1 122 122 TRP H H 1 8.024 0.002 . . . . . . 385 W H . 26829 1 419 . 1 1 122 122 TRP CA C 13 57.543 0.015 . . . . . . 385 W CA . 26829 1 420 . 1 1 122 122 TRP CB C 13 29.617 0.034 . . . . . . 385 W CB . 26829 1 421 . 1 1 122 122 TRP N N 15 121.153 0.005 . . . . . . 385 W N . 26829 1 422 . 1 1 123 123 GLY H H 1 8.266 0.000 . . . . . . 386 G H . 26829 1 423 . 1 1 123 123 GLY CA C 13 45.422 0.009 . . . . . . 386 G CA . 26829 1 424 . 1 1 123 123 GLY N N 15 110.673 0.021 . . . . . . 386 G N . 26829 1 425 . 1 1 124 124 SER H H 1 8.081 0.002 . . . . . . 387 S H . 26829 1 426 . 1 1 124 124 SER CA C 13 58.398 0.041 . . . . . . 387 S CA . 26829 1 427 . 1 1 124 124 SER CB C 13 63.986 0.011 . . . . . . 387 S CB . 26829 1 428 . 1 1 124 124 SER N N 15 115.582 0.010 . . . . . . 387 S N . 26829 1 429 . 1 1 125 125 ALA H H 1 8.352 0.001 . . . . . . 388 A H . 26829 1 430 . 1 1 125 125 ALA CA C 13 52.716 0.016 . . . . . . 388 A CA . 26829 1 431 . 1 1 125 125 ALA CB C 13 19.131 0.025 . . . . . . 388 A CB . 26829 1 432 . 1 1 125 125 ALA N N 15 125.666 0.009 . . . . . . 388 A N . 26829 1 433 . 1 1 126 126 SER H H 1 8.189 0.001 . . . . . . 389 S H . 26829 1 434 . 1 1 126 126 SER CA C 13 58.545 0.032 . . . . . . 389 S CA . 26829 1 435 . 1 1 126 126 SER CB C 13 63.757 0.007 . . . . . . 389 S CB . 26829 1 436 . 1 1 126 126 SER N N 15 114.411 0.007 . . . . . . 389 S N . 26829 1 437 . 1 1 127 127 ASN H H 1 8.297 0.001 . . . . . . 390 N H . 26829 1 438 . 1 1 127 127 ASN CA C 13 53.198 0.065 . . . . . . 390 N CA . 26829 1 439 . 1 1 127 127 ASN CB C 13 38.820 0.009 . . . . . . 390 N CB . 26829 1 440 . 1 1 127 127 ASN N N 15 120.475 0.008 . . . . . . 390 N N . 26829 1 441 . 1 1 128 128 ALA H H 1 8.186 0.001 . . . . . . 391 A H . 26829 1 442 . 1 1 128 128 ALA CA C 13 52.961 0.050 . . . . . . 391 A CA . 26829 1 443 . 1 1 128 128 ALA CB C 13 19.118 0.028 . . . . . . 391 A CB . 26829 1 444 . 1 1 128 128 ALA N N 15 124.020 0.011 . . . . . . 391 A N . 26829 1 445 . 1 1 129 129 GLY H H 1 8.289 0.001 . . . . . . 392 G H . 26829 1 446 . 1 1 129 129 GLY CA C 13 45.378 0.031 . . . . . . 392 G CA . 26829 1 447 . 1 1 129 129 GLY N N 15 107.832 0.017 . . . . . . 392 G N . 26829 1 448 . 1 1 130 130 SER H H 1 8.177 0.003 . . . . . . 393 S H . 26829 1 449 . 1 1 130 130 SER CA C 13 58.545 0.041 . . . . . . 393 S CA . 26829 1 450 . 1 1 130 130 SER CB C 13 63.968 0.028 . . . . . . 393 S CB . 26829 1 451 . 1 1 130 130 SER N N 15 115.412 0.057 . . . . . . 393 S N . 26829 1 452 . 1 1 131 131 GLY H H 1 8.460 0.002 . . . . . . 394 G H . 26829 1 453 . 1 1 131 131 GLY CA C 13 45.398 0.035 . . . . . . 394 G CA . 26829 1 454 . 1 1 131 131 GLY N N 15 110.813 0.077 . . . . . . 394 G N . 26829 1 455 . 1 1 132 132 SER H H 1 8.218 0.002 . . . . . . 395 S H . 26829 1 456 . 1 1 132 132 SER CA C 13 58.628 0.036 . . . . . . 395 S CA . 26829 1 457 . 1 1 132 132 SER CB C 13 63.957 0.004 . . . . . . 395 S CB . 26829 1 458 . 1 1 132 132 SER N N 15 115.508 0.009 . . . . . . 395 S N . 26829 1 459 . 1 1 133 133 GLY H H 1 8.377 0.005 . . . . . . 396 G H . 26829 1 460 . 1 1 133 133 GLY CA C 13 45.283 0.079 . . . . . . 396 G CA . 26829 1 461 . 1 1 133 133 GLY N N 15 110.493 0.091 . . . . . . 396 G N . 26829 1 462 . 1 1 134 134 PHE H H 1 8.109 0.002 . . . . . . 397 F H . 26829 1 463 . 1 1 134 134 PHE CA C 13 57.941 0.019 . . . . . . 397 F CA . 26829 1 464 . 1 1 134 134 PHE CB C 13 39.521 0.001 . . . . . . 397 F CB . 26829 1 465 . 1 1 134 134 PHE N N 15 120.206 0.016 . . . . . . 397 F N . 26829 1 466 . 1 1 135 135 ASN H H 1 8.415 0.001 . . . . . . 398 N H . 26829 1 467 . 1 1 135 135 ASN CA C 13 53.096 0.046 . . . . . . 398 N CA . 26829 1 468 . 1 1 135 135 ASN CB C 13 38.784 0.013 . . . . . . 398 N CB . 26829 1 469 . 1 1 135 135 ASN N N 15 121.478 0.009 . . . . . . 398 N N . 26829 1 470 . 1 1 136 136 GLY H H 1 7.788 0.001 . . . . . . 399 G H . 26829 1 471 . 1 1 136 136 GLY CA C 13 45.505 0.100 . . . . . . 399 G CA . 26829 1 472 . 1 1 136 136 GLY N N 15 108.466 0.010 . . . . . . 399 G N . 26829 1 473 . 1 1 137 137 GLY H H 1 8.109 0.001 . . . . . . 400 G H . 26829 1 474 . 1 1 137 137 GLY CA C 13 45.095 0.078 . . . . . . 400 G CA . 26829 1 475 . 1 1 137 137 GLY N N 15 108.286 0.001 . . . . . . 400 G N . 26829 1 476 . 1 1 138 138 PHE H H 1 8.116 0.001 . . . . . . 401 F H . 26829 1 477 . 1 1 138 138 PHE CA C 13 58.035 0.051 . . . . . . 401 F CA . 26829 1 478 . 1 1 138 138 PHE CB C 13 39.539 0.021 . . . . . . 401 F CB . 26829 1 479 . 1 1 138 138 PHE N N 15 119.917 0.021 . . . . . . 401 F N . 26829 1 480 . 1 1 139 139 GLY H H 1 8.370 0.002 . . . . . . 402 G H . 26829 1 481 . 1 1 139 139 GLY CA C 13 45.368 0.021 . . . . . . 402 G CA . 26829 1 482 . 1 1 139 139 GLY N N 15 110.722 0.023 . . . . . . 402 G N . 26829 1 483 . 1 1 140 140 SER H H 1 8.174 0.001 . . . . . . 403 S H . 26829 1 484 . 1 1 140 140 SER CA C 13 58.394 0.107 . . . . . . 403 S CA . 26829 1 485 . 1 1 140 140 SER CB C 13 64.037 0.062 . . . . . . 403 S CB . 26829 1 486 . 1 1 140 140 SER N N 15 115.479 0.026 . . . . . . 403 S N . 26829 1 487 . 1 1 141 141 SER H H 1 8.397 0.002 . . . . . . 404 S H . 26829 1 488 . 1 1 141 141 SER CA C 13 58.652 0.066 . . . . . . 404 S CA . 26829 1 489 . 1 1 141 141 SER CB C 13 63.773 0.039 . . . . . . 404 S CB . 26829 1 490 . 1 1 141 141 SER N N 15 117.560 0.003 . . . . . . 404 S N . 26829 1 491 . 1 1 142 142 MET H H 1 8.350 0.001 . . . . . . 405 M H . 26829 1 492 . 1 1 142 142 MET CA C 13 55.787 0.031 . . . . . . 405 M CA . 26829 1 493 . 1 1 142 142 MET CB C 13 32.698 0.044 . . . . . . 405 M CB . 26829 1 494 . 1 1 142 142 MET N N 15 121.702 0.008 . . . . . . 405 M N . 26829 1 495 . 1 1 143 143 ASP H H 1 8.199 0.001 . . . . . . 406 D H . 26829 1 496 . 1 1 143 143 ASP CA C 13 54.383 0.040 . . . . . . 406 D CA . 26829 1 497 . 1 1 143 143 ASP CB C 13 41.252 0.036 . . . . . . 406 D CB . 26829 1 498 . 1 1 143 143 ASP N N 15 120.944 0.011 . . . . . . 406 D N . 26829 1 499 . 1 1 144 144 SER H H 1 8.209 0.001 . . . . . . 407 S H . 26829 1 500 . 1 1 144 144 SER CA C 13 58.917 0.028 . . . . . . 407 S CA . 26829 1 501 . 1 1 144 144 SER CB C 13 63.585 0.017 . . . . . . 407 S CB . 26829 1 502 . 1 1 144 144 SER N N 15 116.573 0.007 . . . . . . 407 S N . 26829 1 503 . 1 1 145 145 LYS H H 1 8.278 0.001 . . . . . . 408 K H . 26829 1 504 . 1 1 145 145 LYS CA C 13 56.602 0.045 . . . . . . 408 K CA . 26829 1 505 . 1 1 145 145 LYS CB C 13 32.621 0.006 . . . . . . 408 K CB . 26829 1 506 . 1 1 145 145 LYS N N 15 122.510 0.010 . . . . . . 408 K N . 26829 1 507 . 1 1 146 146 SER H H 1 8.172 0.001 . . . . . . 409 S H . 26829 1 508 . 1 1 146 146 SER CA C 13 58.555 0.053 . . . . . . 409 S CA . 26829 1 509 . 1 1 146 146 SER CB C 13 63.825 0.005 . . . . . . 409 S CB . 26829 1 510 . 1 1 146 146 SER N N 15 116.070 0.011 . . . . . . 409 S N . 26829 1 511 . 1 1 147 147 SER H H 1 8.254 0.000 . . . . . . 410 S H . 26829 1 512 . 1 1 147 147 SER CA C 13 58.745 0.055 . . . . . . 410 S CA . 26829 1 513 . 1 1 147 147 SER CB C 13 63.808 0.008 . . . . . . 410 S CB . 26829 1 514 . 1 1 147 147 SER N N 15 117.426 0.007 . . . . . . 410 S N . 26829 1 515 . 1 1 148 148 GLY H H 1 8.268 0.000 . . . . . . 411 G H . 26829 1 516 . 1 1 148 148 GLY CA C 13 45.347 0.008 . . . . . . 411 G CA . 26829 1 517 . 1 1 148 148 GLY N N 15 110.236 0.015 . . . . . . 411 G N . 26829 1 518 . 1 1 149 149 TRP H H 1 8.001 0.002 . . . . . . 412 W H . 26829 1 519 . 1 1 149 149 TRP CA C 13 57.586 0.022 . . . . . . 412 W CA . 26829 1 520 . 1 1 149 149 TRP CB C 13 29.559 0.001 . . . . . . 412 W CB . 26829 1 521 . 1 1 149 149 TRP N N 15 120.856 0.003 . . . . . . 412 W N . 26829 1 522 . 1 1 150 150 GLY H H 1 8.224 0.001 . . . . . . 413 G H . 26829 1 523 . 1 1 150 150 GLY CA C 13 45.506 0.013 . . . . . . 413 G CA . 26829 1 524 . 1 1 150 150 GLY N N 15 111.390 0.008 . . . . . . 413 G N . 26829 1 525 . 1 1 151 151 MET H H 1 7.635 0.002 . . . . . . 414 M H . 26829 1 526 . 1 1 151 151 MET CA C 13 56.911 0.000 . . . . . . 414 M CA . 26829 1 527 . 1 1 151 151 MET CB C 13 33.758 0.000 . . . . . . 414 M CB . 26829 1 528 . 1 1 151 151 MET N N 15 124.566 0.008 . . . . . . 414 M N . 26829 1 stop_ save_