################################### # 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_WT_TDP-43_267-414_298_K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode WT_TDP-43_267-414_298_K _Assigned_chem_shift_list.Entry_ID 26823 _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' . . . 26823 1 2 '3D HNCACB' . . . 26823 1 3 '3D CBCA(CO)NH' . . . 26823 1 4 '3D HNCO' . . . 26823 1 5 '3D HN(CA)CO' . . . 26823 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 C C 13 176.287 0.000 . . . . . . 268 R C . 26823 1 2 . 1 1 5 5 ARG CA C 13 56.405 0.000 . . . . . . 268 R CA . 26823 1 3 . 1 1 5 5 ARG CB C 13 30.595 0.007 . . . . . . 268 R CB . 26823 1 4 . 1 1 6 6 GLN H H 1 8.405 0.001 . . . . . . 269 Q H . 26823 1 5 . 1 1 6 6 GLN C C 13 176.129 0.007 . . . . . . 269 Q C . 26823 1 6 . 1 1 6 6 GLN CA C 13 56.249 0.061 . . . . . . 269 Q CA . 26823 1 7 . 1 1 6 6 GLN CB C 13 29.174 0.021 . . . . . . 269 Q CB . 26823 1 8 . 1 1 6 6 GLN N N 15 121.088 0.015 . . . . . . 269 Q N . 26823 1 9 . 1 1 7 7 LEU H H 1 8.200 0.001 . . . . . . 270 L H . 26823 1 10 . 1 1 7 7 LEU C C 13 177.476 0.003 . . . . . . 270 L C . 26823 1 11 . 1 1 7 7 LEU CA C 13 55.359 0.061 . . . . . . 270 L CA . 26823 1 12 . 1 1 7 7 LEU CB C 13 42.319 0.014 . . . . . . 270 L CB . 26823 1 13 . 1 1 7 7 LEU N N 15 122.907 0.010 . . . . . . 270 L N . 26823 1 14 . 1 1 8 8 GLU H H 1 8.326 0.001 . . . . . . 271 E H . 26823 1 15 . 1 1 8 8 GLU C C 13 176.667 0.004 . . . . . . 271 E C . 26823 1 16 . 1 1 8 8 GLU CA C 13 56.767 0.065 . . . . . . 271 E CA . 26823 1 17 . 1 1 8 8 GLU CB C 13 30.230 0.021 . . . . . . 271 E CB . 26823 1 18 . 1 1 8 8 GLU N N 15 121.834 0.007 . . . . . . 271 E N . 26823 1 19 . 1 1 9 9 ARG H H 1 8.367 0.002 . . . . . . 272 R H . 26823 1 20 . 1 1 9 9 ARG C C 13 176.338 0.006 . . . . . . 272 R C . 26823 1 21 . 1 1 9 9 ARG CA C 13 56.369 0.082 . . . . . . 272 R CA . 26823 1 22 . 1 1 9 9 ARG CB C 13 30.594 0.044 . . . . . . 272 R CB . 26823 1 23 . 1 1 9 9 ARG N N 15 121.842 0.009 . . . . . . 272 R N . 26823 1 24 . 1 1 10 10 SER H H 1 8.278 0.003 . . . . . . 273 S H . 26823 1 25 . 1 1 10 10 SER C C 13 175.024 0.020 . . . . . . 273 S C . 26823 1 26 . 1 1 10 10 SER CA C 13 58.611 0.068 . . . . . . 273 S CA . 26823 1 27 . 1 1 10 10 SER CB C 13 63.953 0.016 . . . . . . 273 S CB . 26823 1 28 . 1 1 10 10 SER N N 15 116.310 0.025 . . . . . . 273 S N . 26823 1 29 . 1 1 11 11 GLY H H 1 8.379 0.001 . . . . . . 274 G H . 26823 1 30 . 1 1 11 11 GLY C C 13 174.112 0.015 . . . . . . 274 G C . 26823 1 31 . 1 1 11 11 GLY CA C 13 45.344 0.080 . . . . . . 274 G CA . 26823 1 32 . 1 1 11 11 GLY N N 15 110.444 0.009 . . . . . . 274 G N . 26823 1 33 . 1 1 12 12 ARG H H 1 8.067 0.002 . . . . . . 275 R H . 26823 1 34 . 1 1 12 12 ARG C C 13 176.105 0.001 . . . . . . 275 R C . 26823 1 35 . 1 1 12 12 ARG CA C 13 56.354 0.040 . . . . . . 275 R CA . 26823 1 36 . 1 1 12 12 ARG CB C 13 30.688 0.036 . . . . . . 275 R CB . 26823 1 37 . 1 1 12 12 ARG N N 15 120.341 0.014 . . . . . . 275 R N . 26823 1 38 . 1 1 13 13 PHE H H 1 8.315 0.002 . . . . . . 276 F H . 26823 1 39 . 1 1 13 13 PHE C C 13 176.219 0.011 . . . . . . 276 F C . 26823 1 40 . 1 1 13 13 PHE CA C 13 57.599 0.034 . . . . . . 276 F CA . 26823 1 41 . 1 1 13 13 PHE CB C 13 39.471 0.023 . . . . . . 276 F CB . 26823 1 42 . 1 1 13 13 PHE N N 15 120.864 0.020 . . . . . . 276 F N . 26823 1 43 . 1 1 14 14 GLY H H 1 8.269 0.002 . . . . . . 277 G H . 26823 1 44 . 1 1 14 14 GLY C C 13 174.355 0.022 . . . . . . 277 G C . 26823 1 45 . 1 1 14 14 GLY CA C 13 45.389 0.044 . . . . . . 277 G CA . 26823 1 46 . 1 1 14 14 GLY N N 15 110.717 0.028 . . . . . . 277 G N . 26823 1 47 . 1 1 15 15 GLY H H 1 7.894 0.001 . . . . . . 278 G H . 26823 1 48 . 1 1 15 15 GLY C C 13 173.369 0.000 . . . . . . 278 G C . 26823 1 49 . 1 1 15 15 GLY CA C 13 44.967 0.058 . . . . . . 278 G CA . 26823 1 50 . 1 1 15 15 GLY N N 15 107.819 0.018 . . . . . . 278 G N . 26823 1 51 . 1 1 16 16 ASN H H 1 8.336 0.001 . . . . . . 279 N H . 26823 1 52 . 1 1 16 16 ASN C C 13 173.539 0.000 . . . . . . 279 N C . 26823 1 53 . 1 1 16 16 ASN CA C 13 51.318 0.000 . . . . . . 279 N CA . 26823 1 54 . 1 1 16 16 ASN CB C 13 38.871 0.000 . . . . . . 279 N CB . 26823 1 55 . 1 1 16 16 ASN N N 15 119.017 0.007 . . . . . . 279 N N . 26823 1 56 . 1 1 17 17 PRO C C 13 177.435 0.001 . . . . . . 280 P C . 26823 1 57 . 1 1 17 17 PRO CA C 13 63.883 0.052 . . . . . . 280 P CA . 26823 1 58 . 1 1 17 17 PRO CB C 13 31.909 0.013 . . . . . . 280 P CB . 26823 1 59 . 1 1 18 18 GLY H H 1 8.385 0.001 . . . . . . 281 G H . 26823 1 60 . 1 1 18 18 GLY C C 13 174.494 0.015 . . . . . . 281 G C . 26823 1 61 . 1 1 18 18 GLY CA C 13 45.356 0.069 . . . . . . 281 G CA . 26823 1 62 . 1 1 18 18 GLY N N 15 108.617 0.013 . . . . . . 281 G N . 26823 1 63 . 1 1 19 19 GLY H H 1 8.036 0.004 . . . . . . 282 G H . 26823 1 64 . 1 1 19 19 GLY C C 13 173.966 0.025 . . . . . . 282 G C . 26823 1 65 . 1 1 19 19 GLY CA C 13 45.160 0.013 . . . . . . 282 G CA . 26823 1 66 . 1 1 19 19 GLY N N 15 108.134 0.019 . . . . . . 282 G N . 26823 1 67 . 1 1 20 20 PHE H H 1 8.138 0.002 . . . . . . 283 F H . 26823 1 68 . 1 1 20 20 PHE C C 13 176.465 0.006 . . . . . . 283 F C . 26823 1 69 . 1 1 20 20 PHE CA C 13 57.974 0.047 . . . . . . 283 F CA . 26823 1 70 . 1 1 20 20 PHE CB C 13 39.549 0.018 . . . . . . 283 F CB . 26823 1 71 . 1 1 20 20 PHE N N 15 119.700 0.018 . . . . . . 283 F N . 26823 1 72 . 1 1 21 21 GLY H H 1 8.393 0.002 . . . . . . 284 G H . 26823 1 73 . 1 1 21 21 GLY C C 13 173.949 0.009 . . . . . . 284 G C . 26823 1 74 . 1 1 21 21 GLY CA C 13 45.442 0.007 . . . . . . 284 G CA . 26823 1 75 . 1 1 21 21 GLY N N 15 110.247 0.010 . . . . . . 284 G N . 26823 1 76 . 1 1 22 22 ASN H H 1 8.270 0.003 . . . . . . 285 N H . 26823 1 77 . 1 1 22 22 ASN C C 13 175.518 0.012 . . . . . . 285 N C . 26823 1 78 . 1 1 22 22 ASN CA C 13 53.302 0.043 . . . . . . 285 N CA . 26823 1 79 . 1 1 22 22 ASN CB C 13 38.812 0.025 . . . . . . 285 N CB . 26823 1 80 . 1 1 22 22 ASN N N 15 118.629 0.082 . . . . . . 285 N N . 26823 1 81 . 1 1 23 23 GLN H H 1 8.452 0.002 . . . . . . 286 Q H . 26823 1 82 . 1 1 23 23 GLN C C 13 176.461 0.002 . . . . . . 286 Q C . 26823 1 83 . 1 1 23 23 GLN CA C 13 56.213 0.031 . . . . . . 286 Q CA . 26823 1 84 . 1 1 23 23 GLN CB C 13 29.205 0.046 . . . . . . 286 Q CB . 26823 1 85 . 1 1 23 23 GLN N N 15 120.460 0.016 . . . . . . 286 Q N . 26823 1 86 . 1 1 24 24 GLY H H 1 8.379 0.003 . . . . . . 287 G H . 26823 1 87 . 1 1 24 24 GLY C C 13 174.390 0.028 . . . . . . 287 G C . 26823 1 88 . 1 1 24 24 GLY CA C 13 45.459 0.033 . . . . . . 287 G CA . 26823 1 89 . 1 1 24 24 GLY N N 15 109.388 0.035 . . . . . . 287 G N . 26823 1 90 . 1 1 25 25 GLY H H 1 8.031 0.002 . . . . . . 288 G H . 26823 1 91 . 1 1 25 25 GLY C C 13 173.964 0.030 . . . . . . 288 G C . 26823 1 92 . 1 1 25 25 GLY CA C 13 45.155 0.019 . . . . . . 288 G CA . 26823 1 93 . 1 1 25 25 GLY N N 15 108.103 0.021 . . . . . . 288 G N . 26823 1 94 . 1 1 26 26 PHE H H 1 8.141 0.003 . . . . . . 289 F H . 26823 1 95 . 1 1 26 26 PHE C C 13 176.477 0.010 . . . . . . 289 F C . 26823 1 96 . 1 1 26 26 PHE CA C 13 57.970 0.044 . . . . . . 289 F CA . 26823 1 97 . 1 1 26 26 PHE CB C 13 39.549 0.018 . . . . . . 289 F CB . 26823 1 98 . 1 1 26 26 PHE N N 15 119.685 0.025 . . . . . . 289 F N . 26823 1 99 . 1 1 27 27 GLY H H 1 8.395 0.002 . . . . . . 290 G H . 26823 1 100 . 1 1 27 27 GLY C C 13 173.952 0.007 . . . . . . 290 G C . 26823 1 101 . 1 1 27 27 GLY CA C 13 45.442 0.007 . . . . . . 290 G CA . 26823 1 102 . 1 1 27 27 GLY N N 15 110.247 0.008 . . . . . . 290 G N . 26823 1 103 . 1 1 28 28 ASN H H 1 8.273 0.001 . . . . . . 291 N H . 26823 1 104 . 1 1 28 28 ASN C C 13 175.510 0.009 . . . . . . 291 N C . 26823 1 105 . 1 1 28 28 ASN CA C 13 53.236 0.061 . . . . . . 291 N CA . 26823 1 106 . 1 1 28 28 ASN CB C 13 38.916 0.071 . . . . . . 291 N CB . 26823 1 107 . 1 1 28 28 ASN N N 15 118.573 0.028 . . . . . . 291 N N . 26823 1 108 . 1 1 29 29 SER H H 1 8.310 0.001 . . . . . . 292 S H . 26823 1 109 . 1 1 29 29 SER C C 13 174.708 0.008 . . . . . . 292 S C . 26823 1 110 . 1 1 29 29 SER CA C 13 58.706 0.003 . . . . . . 292 S CA . 26823 1 111 . 1 1 29 29 SER CB C 13 63.782 0.031 . . . . . . 292 S CB . 26823 1 112 . 1 1 29 29 SER N N 15 116.153 0.012 . . . . . . 292 S N . 26823 1 113 . 1 1 30 30 ARG H H 1 8.369 0.001 . . . . . . 293 R H . 26823 1 114 . 1 1 30 30 ARG C C 13 176.806 0.010 . . . . . . 293 R C . 26823 1 115 . 1 1 30 30 ARG CA C 13 56.312 0.038 . . . . . . 293 R CA . 26823 1 116 . 1 1 30 30 ARG CB C 13 30.564 0.029 . . . . . . 293 R CB . 26823 1 117 . 1 1 30 30 ARG N N 15 122.429 0.010 . . . . . . 293 R N . 26823 1 118 . 1 1 31 31 GLY H H 1 8.322 0.001 . . . . . . 294 G H . 26823 1 119 . 1 1 31 31 GLY C C 13 174.620 0.004 . . . . . . 294 G C . 26823 1 120 . 1 1 31 31 GLY CA C 13 45.339 0.002 . . . . . . 294 G CA . 26823 1 121 . 1 1 31 31 GLY N N 15 109.460 0.014 . . . . . . 294 G N . 26823 1 122 . 1 1 32 32 GLY H H 1 8.260 0.006 . . . . . . 295 G H . 26823 1 123 . 1 1 32 32 GLY C C 13 174.702 0.004 . . . . . . 295 G C . 26823 1 124 . 1 1 32 32 GLY CA C 13 45.369 0.029 . . . . . . 295 G CA . 26823 1 125 . 1 1 32 32 GLY N N 15 108.594 0.046 . . . . . . 295 G N . 26823 1 126 . 1 1 33 33 GLY H H 1 8.273 0.001 . . . . . . 296 G H . 26823 1 127 . 1 1 33 33 GLY C C 13 174.033 0.064 . . . . . . 296 G C . 26823 1 128 . 1 1 33 33 GLY CA C 13 45.262 0.055 . . . . . . 296 G CA . 26823 1 129 . 1 1 33 33 GLY N N 15 108.510 0.009 . . . . . . 296 G N . 26823 1 130 . 1 1 34 34 ALA H H 1 8.232 0.001 . . . . . . 297 A H . 26823 1 131 . 1 1 34 34 ALA C C 13 178.230 0.000 . . . . . . 297 A C . 26823 1 132 . 1 1 34 34 ALA CA C 13 52.614 0.031 . . . . . . 297 A CA . 26823 1 133 . 1 1 34 34 ALA CB C 13 19.270 0.014 . . . . . . 297 A CB . 26823 1 134 . 1 1 34 34 ALA N N 15 123.624 0.003 . . . . . . 297 A N . 26823 1 135 . 1 1 35 35 GLY H H 1 8.355 0.001 . . . . . . 298 G H . 26823 1 136 . 1 1 35 35 GLY C C 13 174.222 0.007 . . . . . . 298 G C . 26823 1 137 . 1 1 35 35 GLY CA C 13 45.378 0.013 . . . . . . 298 G CA . 26823 1 138 . 1 1 35 35 GLY N N 15 107.952 0.013 . . . . . . 298 G N . 26823 1 139 . 1 1 36 36 LEU H H 1 8.096 0.001 . . . . . . 299 L H . 26823 1 140 . 1 1 36 36 LEU C C 13 177.978 0.001 . . . . . . 299 L C . 26823 1 141 . 1 1 36 36 LEU CA C 13 55.248 0.019 . . . . . . 299 L CA . 26823 1 142 . 1 1 36 36 LEU CB C 13 42.368 0.012 . . . . . . 299 L CB . 26823 1 143 . 1 1 36 36 LEU N N 15 121.267 0.008 . . . . . . 299 L N . 26823 1 144 . 1 1 37 37 GLY H H 1 8.413 0.002 . . . . . . 300 G H . 26823 1 145 . 1 1 37 37 GLY C C 13 173.952 0.006 . . . . . . 300 G C . 26823 1 146 . 1 1 37 37 GLY CA C 13 45.453 0.014 . . . . . . 300 G CA . 26823 1 147 . 1 1 37 37 GLY N N 15 109.107 0.026 . . . . . . 300 G N . 26823 1 148 . 1 1 38 38 ASN H H 1 8.272 0.001 . . . . . . 301 N H . 26823 1 149 . 1 1 38 38 ASN C C 13 175.087 0.047 . . . . . . 301 N C . 26823 1 150 . 1 1 38 38 ASN CA C 13 53.264 0.050 . . . . . . 301 N CA . 26823 1 151 . 1 1 38 38 ASN CB C 13 38.817 0.008 . . . . . . 301 N CB . 26823 1 152 . 1 1 38 38 ASN N N 15 118.553 0.020 . . . . . . 301 N N . 26823 1 153 . 1 1 39 39 ASN H H 1 8.459 0.001 . . . . . . 302 N H . 26823 1 154 . 1 1 39 39 ASN C C 13 175.259 0.026 . . . . . . 302 N C . 26823 1 155 . 1 1 39 39 ASN CA C 13 53.454 0.029 . . . . . . 302 N CA . 26823 1 156 . 1 1 39 39 ASN CB C 13 38.721 0.020 . . . . . . 302 N CB . 26823 1 157 . 1 1 39 39 ASN N N 15 119.004 0.010 . . . . . . 302 N N . 26823 1 158 . 1 1 40 40 GLN H H 1 8.336 0.001 . . . . . . 303 Q H . 26823 1 159 . 1 1 40 40 GLN C C 13 176.476 0.025 . . . . . . 303 Q C . 26823 1 160 . 1 1 40 40 GLN CA C 13 56.256 0.060 . . . . . . 303 Q CA . 26823 1 161 . 1 1 40 40 GLN CB C 13 29.242 0.005 . . . . . . 303 Q CB . 26823 1 162 . 1 1 40 40 GLN N N 15 120.366 0.014 . . . . . . 303 Q N . 26823 1 163 . 1 1 41 41 GLY H H 1 8.387 0.006 . . . . . . 304 G H . 26823 1 164 . 1 1 41 41 GLY C C 13 174.207 0.024 . . . . . . 304 G C . 26823 1 165 . 1 1 41 41 GLY CA C 13 45.438 0.043 . . . . . . 304 G CA . 26823 1 166 . 1 1 41 41 GLY N N 15 109.470 0.026 . . . . . . 304 G N . 26823 1 167 . 1 1 42 42 SER H H 1 8.176 0.003 . . . . . . 305 S H . 26823 1 168 . 1 1 42 42 SER C C 13 174.394 0.003 . . . . . . 305 S C . 26823 1 169 . 1 1 42 42 SER CA C 13 58.448 0.061 . . . . . . 305 S CA . 26823 1 170 . 1 1 42 42 SER CB C 13 63.970 0.014 . . . . . . 305 S CB . 26823 1 171 . 1 1 42 42 SER N N 15 115.406 0.077 . . . . . . 305 S N . 26823 1 172 . 1 1 43 43 ASN H H 1 8.493 0.002 . . . . . . 306 N H . 26823 1 173 . 1 1 43 43 ASN C C 13 175.312 0.013 . . . . . . 306 N C . 26823 1 174 . 1 1 43 43 ASN CA C 13 53.349 0.040 . . . . . . 306 N CA . 26823 1 175 . 1 1 43 43 ASN CB C 13 38.557 0.016 . . . . . . 306 N CB . 26823 1 176 . 1 1 43 43 ASN N N 15 120.415 0.010 . . . . . . 306 N N . 26823 1 177 . 1 1 44 44 MET H H 1 8.303 0.002 . . . . . . 307 M H . 26823 1 178 . 1 1 44 44 MET C C 13 176.781 0.002 . . . . . . 307 M C . 26823 1 179 . 1 1 44 44 MET CA C 13 55.671 0.041 . . . . . . 307 M CA . 26823 1 180 . 1 1 44 44 MET CB C 13 32.557 0.104 . . . . . . 307 M CB . 26823 1 181 . 1 1 44 44 MET N N 15 120.289 0.054 . . . . . . 307 M N . 26823 1 182 . 1 1 45 45 GLY H H 1 8.372 0.002 . . . . . . 308 G H . 26823 1 183 . 1 1 45 45 GLY C C 13 174.682 0.005 . . . . . . 308 G C . 26823 1 184 . 1 1 45 45 GLY CA C 13 45.492 0.000 . . . . . . 308 G CA . 26823 1 185 . 1 1 45 45 GLY N N 15 109.539 0.031 . . . . . . 308 G N . 26823 1 186 . 1 1 46 46 GLY H H 1 8.233 0.001 . . . . . . 309 G H . 26823 1 187 . 1 1 46 46 GLY C C 13 174.717 0.017 . . . . . . 309 G C . 26823 1 188 . 1 1 46 46 GLY CA C 13 45.386 0.074 . . . . . . 309 G CA . 26823 1 189 . 1 1 46 46 GLY N N 15 108.577 0.006 . . . . . . 309 G N . 26823 1 190 . 1 1 47 47 GLY H H 1 8.290 0.001 . . . . . . 310 G H . 26823 1 191 . 1 1 47 47 GLY C C 13 174.067 0.070 . . . . . . 310 G C . 26823 1 192 . 1 1 47 47 GLY CA C 13 45.267 0.012 . . . . . . 310 G CA . 26823 1 193 . 1 1 47 47 GLY N N 15 108.753 0.016 . . . . . . 310 G N . 26823 1 194 . 1 1 48 48 MET H H 1 8.173 0.001 . . . . . . 311 M H . 26823 1 195 . 1 1 48 48 MET C C 13 175.633 0.003 . . . . . . 311 M C . 26823 1 196 . 1 1 48 48 MET CA C 13 55.462 0.056 . . . . . . 311 M CA . 26823 1 197 . 1 1 48 48 MET CB C 13 32.803 0.005 . . . . . . 311 M CB . 26823 1 198 . 1 1 48 48 MET N N 15 119.353 0.008 . . . . . . 311 M N . 26823 1 199 . 1 1 49 49 ASN H H 1 8.314 0.001 . . . . . . 312 N H . 26823 1 200 . 1 1 49 49 ASN C C 13 174.811 0.015 . . . . . . 312 N C . 26823 1 201 . 1 1 49 49 ASN CA C 13 53.006 0.097 . . . . . . 312 N CA . 26823 1 202 . 1 1 49 49 ASN CB C 13 38.775 0.015 . . . . . . 312 N CB . 26823 1 203 . 1 1 49 49 ASN N N 15 119.372 0.013 . . . . . . 312 N N . 26823 1 204 . 1 1 50 50 PHE H H 1 8.214 0.008 . . . . . . 313 F H . 26823 1 205 . 1 1 50 50 PHE C C 13 176.251 0.011 . . . . . . 313 F C . 26823 1 206 . 1 1 50 50 PHE CA C 13 58.153 0.050 . . . . . . 313 F CA . 26823 1 207 . 1 1 50 50 PHE CB C 13 39.309 0.048 . . . . . . 313 F CB . 26823 1 208 . 1 1 50 50 PHE N N 15 120.878 0.025 . . . . . . 313 F N . 26823 1 209 . 1 1 51 51 GLY H H 1 8.281 0.001 . . . . . . 314 G H . 26823 1 210 . 1 1 51 51 GLY C C 13 173.938 0.015 . . . . . . 314 G C . 26823 1 211 . 1 1 51 51 GLY CA C 13 45.483 0.026 . . . . . . 314 G CA . 26823 1 212 . 1 1 51 51 GLY N N 15 109.861 0.014 . . . . . . 314 G N . 26823 1 213 . 1 1 52 52 ALA H H 1 7.994 0.002 . . . . . . 315 A H . 26823 1 214 . 1 1 52 52 ALA C C 13 177.387 0.002 . . . . . . 315 A C . 26823 1 215 . 1 1 52 52 ALA CA C 13 52.628 0.028 . . . . . . 315 A CA . 26823 1 216 . 1 1 52 52 ALA CB C 13 19.029 0.022 . . . . . . 315 A CB . 26823 1 217 . 1 1 52 52 ALA N N 15 123.571 0.008 . . . . . . 315 A N . 26823 1 218 . 1 1 53 53 PHE H H 1 8.025 0.002 . . . . . . 316 F H . 26823 1 219 . 1 1 53 53 PHE C C 13 175.552 0.006 . . . . . . 316 F C . 26823 1 220 . 1 1 53 53 PHE CA C 13 57.543 0.017 . . . . . . 316 F CA . 26823 1 221 . 1 1 53 53 PHE CB C 13 39.482 0.031 . . . . . . 316 F CB . 26823 1 222 . 1 1 53 53 PHE N N 15 118.141 0.012 . . . . . . 316 F N . 26823 1 223 . 1 1 54 54 SER H H 1 8.013 0.002 . . . . . . 317 S H . 26823 1 224 . 1 1 54 54 SER C C 13 173.932 0.018 . . . . . . 317 S C . 26823 1 225 . 1 1 54 54 SER CA C 13 58.254 0.081 . . . . . . 317 S CA . 26823 1 226 . 1 1 54 54 SER CB C 13 63.968 0.039 . . . . . . 317 S CB . 26823 1 227 . 1 1 54 54 SER N N 15 116.568 0.013 . . . . . . 317 S N . 26823 1 228 . 1 1 55 55 ILE H H 1 7.985 0.002 . . . . . . 318 I H . 26823 1 229 . 1 1 55 55 ILE C C 13 175.284 0.019 . . . . . . 318 I C . 26823 1 230 . 1 1 55 55 ILE CA C 13 60.858 0.045 . . . . . . 318 I CA . 26823 1 231 . 1 1 55 55 ILE CB C 13 38.915 0.056 . . . . . . 318 I CB . 26823 1 232 . 1 1 55 55 ILE N N 15 121.334 0.012 . . . . . . 318 I N . 26823 1 233 . 1 1 56 56 ASN H H 1 8.245 0.002 . . . . . . 319 N H . 26823 1 234 . 1 1 56 56 ASN C C 13 173.930 0.000 . . . . . . 319 N C . 26823 1 235 . 1 1 56 56 ASN CA C 13 51.157 0.000 . . . . . . 319 N CA . 26823 1 236 . 1 1 56 56 ASN CB C 13 38.927 0.000 . . . . . . 319 N CB . 26823 1 237 . 1 1 56 56 ASN N N 15 123.305 0.011 . . . . . . 319 N N . 26823 1 238 . 1 1 57 57 PRO C C 13 177.793 0.005 . . . . . . 320 P C . 26823 1 239 . 1 1 57 57 PRO CA C 13 64.661 0.084 . . . . . . 320 P CA . 26823 1 240 . 1 1 57 57 PRO CB C 13 32.052 0.076 . . . . . . 320 P CB . 26823 1 241 . 1 1 58 58 ALA H H 1 8.119 0.001 . . . . . . 321 A H . 26823 1 242 . 1 1 58 58 ALA C C 13 179.290 0.002 . . . . . . 321 A C . 26823 1 243 . 1 1 58 58 ALA CA C 13 53.851 0.026 . . . . . . 321 A CA . 26823 1 244 . 1 1 58 58 ALA CB C 13 18.495 0.027 . . . . . . 321 A CB . 26823 1 245 . 1 1 58 58 ALA N N 15 121.188 0.012 . . . . . . 321 A N . 26823 1 246 . 1 1 59 59 MET H H 1 7.950 0.002 . . . . . . 322 M H . 26823 1 247 . 1 1 59 59 MET C C 13 177.382 0.001 . . . . . . 322 M C . 26823 1 248 . 1 1 59 59 MET CA C 13 56.347 0.024 . . . . . . 322 M CA . 26823 1 249 . 1 1 59 59 MET CB C 13 32.797 0.072 . . . . . . 322 M CB . 26823 1 250 . 1 1 59 59 MET N N 15 118.030 0.009 . . . . . . 322 M N . 26823 1 251 . 1 1 60 60 MET H H 1 7.960 0.002 . . . . . . 323 M H . 26823 1 252 . 1 1 60 60 MET C C 13 177.001 0.020 . . . . . . 323 M C . 26823 1 253 . 1 1 60 60 MET CA C 13 56.863 0.059 . . . . . . 323 M CA . 26823 1 254 . 1 1 60 60 MET CB C 13 32.656 0.050 . . . . . . 323 M CB . 26823 1 255 . 1 1 60 60 MET N N 15 120.267 0.009 . . . . . . 323 M N . 26823 1 256 . 1 1 61 61 ALA H H 1 8.165 0.001 . . . . . . 324 A H . 26823 1 257 . 1 1 61 61 ALA C C 13 179.083 0.003 . . . . . . 324 A C . 26823 1 258 . 1 1 61 61 ALA CA C 13 53.776 0.021 . . . . . . 324 A CA . 26823 1 259 . 1 1 61 61 ALA CB C 13 18.533 0.018 . . . . . . 324 A CB . 26823 1 260 . 1 1 61 61 ALA N N 15 123.387 0.016 . . . . . . 324 A N . 26823 1 261 . 1 1 62 62 ALA H H 1 8.044 0.001 . . . . . . 325 A H . 26823 1 262 . 1 1 62 62 ALA C C 13 179.034 0.001 . . . . . . 325 A C . 26823 1 263 . 1 1 62 62 ALA CA C 13 53.761 0.009 . . . . . . 325 A CA . 26823 1 264 . 1 1 62 62 ALA CB C 13 18.548 0.003 . . . . . . 325 A CB . 26823 1 265 . 1 1 62 62 ALA N N 15 122.007 0.032 . . . . . . 325 A N . 26823 1 266 . 1 1 63 63 ALA H H 1 8.044 0.002 . . . . . . 326 A H . 26823 1 267 . 1 1 63 63 ALA C C 13 179.033 0.016 . . . . . . 326 A C . 26823 1 268 . 1 1 63 63 ALA CA C 13 53.722 0.040 . . . . . . 326 A CA . 26823 1 269 . 1 1 63 63 ALA CB C 13 18.574 0.026 . . . . . . 326 A CB . 26823 1 270 . 1 1 63 63 ALA N N 15 121.953 0.029 . . . . . . 326 A N . 26823 1 271 . 1 1 64 64 GLN H H 1 8.056 0.002 . . . . . . 327 Q H . 26823 1 272 . 1 1 64 64 GLN C C 13 177.151 0.001 . . . . . . 327 Q C . 26823 1 273 . 1 1 64 64 GLN CA C 13 57.320 0.048 . . . . . . 327 Q CA . 26823 1 274 . 1 1 64 64 GLN CB C 13 28.759 0.075 . . . . . . 327 Q CB . 26823 1 275 . 1 1 64 64 GLN N N 15 118.046 0.018 . . . . . . 327 Q N . 26823 1 276 . 1 1 65 65 ALA H H 1 8.049 0.002 . . . . . . 328 A H . 26823 1 277 . 1 1 65 65 ALA C C 13 178.719 0.003 . . . . . . 328 A C . 26823 1 278 . 1 1 65 65 ALA CA C 13 53.748 0.023 . . . . . . 328 A CA . 26823 1 279 . 1 1 65 65 ALA CB C 13 18.542 0.012 . . . . . . 328 A CB . 26823 1 280 . 1 1 65 65 ALA N N 15 123.073 0.022 . . . . . . 328 A N . 26823 1 281 . 1 1 66 66 ALA H H 1 7.914 0.001 . . . . . . 329 A H . 26823 1 282 . 1 1 66 66 ALA C C 13 178.659 0.009 . . . . . . 329 A C . 26823 1 283 . 1 1 66 66 ALA CA C 13 53.379 0.063 . . . . . . 329 A CA . 26823 1 284 . 1 1 66 66 ALA CB C 13 18.671 0.036 . . . . . . 329 A CB . 26823 1 285 . 1 1 66 66 ALA N N 15 121.132 0.010 . . . . . . 329 A N . 26823 1 286 . 1 1 67 67 LEU H H 1 7.834 0.002 . . . . . . 330 L H . 26823 1 287 . 1 1 67 67 LEU C C 13 177.973 0.000 . . . . . . 330 L C . 26823 1 288 . 1 1 67 67 LEU CA C 13 55.993 0.032 . . . . . . 330 L CA . 26823 1 289 . 1 1 67 67 LEU CB C 13 42.107 0.036 . . . . . . 330 L CB . 26823 1 290 . 1 1 67 67 LEU N N 15 119.770 0.020 . . . . . . 330 L N . 26823 1 291 . 1 1 68 68 GLN H H 1 8.039 0.002 . . . . . . 331 Q H . 26823 1 292 . 1 1 68 68 GLN C C 13 176.686 0.005 . . . . . . 331 Q C . 26823 1 293 . 1 1 68 68 GLN CA C 13 56.569 0.036 . . . . . . 331 Q CA . 26823 1 294 . 1 1 68 68 GLN CB C 13 28.981 0.038 . . . . . . 331 Q CB . 26823 1 295 . 1 1 68 68 GLN N N 15 119.119 0.017 . . . . . . 331 Q N . 26823 1 296 . 1 1 69 69 SER H H 1 8.104 0.002 . . . . . . 332 S H . 26823 1 297 . 1 1 69 69 SER C C 13 175.023 0.002 . . . . . . 332 S C . 26823 1 298 . 1 1 69 69 SER CA C 13 58.962 0.039 . . . . . . 332 S CA . 26823 1 299 . 1 1 69 69 SER CB C 13 63.671 0.011 . . . . . . 332 S CB . 26823 1 300 . 1 1 69 69 SER N N 15 115.416 0.017 . . . . . . 332 S N . 26823 1 301 . 1 1 70 70 SER H H 1 8.113 0.002 . . . . . . 333 S H . 26823 1 302 . 1 1 70 70 SER C C 13 174.745 0.004 . . . . . . 333 S C . 26823 1 303 . 1 1 70 70 SER CA C 13 58.994 0.083 . . . . . . 333 S CA . 26823 1 304 . 1 1 70 70 SER CB C 13 63.623 0.052 . . . . . . 333 S CB . 26823 1 305 . 1 1 70 70 SER N N 15 117.150 0.007 . . . . . . 333 S N . 26823 1 306 . 1 1 71 71 TRP H H 1 8.028 0.002 . . . . . . 334 W H . 26823 1 307 . 1 1 71 71 TRP C C 13 177.216 0.001 . . . . . . 334 W C . 26823 1 308 . 1 1 71 71 TRP CA C 13 57.937 0.063 . . . . . . 334 W CA . 26823 1 309 . 1 1 71 71 TRP CB C 13 29.417 0.045 . . . . . . 334 W CB . 26823 1 310 . 1 1 71 71 TRP N N 15 122.383 0.015 . . . . . . 334 W N . 26823 1 311 . 1 1 72 72 GLY H H 1 8.167 0.002 . . . . . . 335 G H . 26823 1 312 . 1 1 72 72 GLY C C 13 174.571 0.028 . . . . . . 335 G C . 26823 1 313 . 1 1 72 72 GLY CA C 13 45.756 0.040 . . . . . . 335 G CA . 26823 1 314 . 1 1 72 72 GLY N N 15 109.230 0.018 . . . . . . 335 G N . 26823 1 315 . 1 1 73 73 MET H H 1 8.041 0.002 . . . . . . 336 M H . 26823 1 316 . 1 1 73 73 MET C C 13 176.708 0.029 . . . . . . 336 M C . 26823 1 317 . 1 1 73 73 MET CA C 13 56.029 0.017 . . . . . . 336 M CA . 26823 1 318 . 1 1 73 73 MET CB C 13 32.710 0.079 . . . . . . 336 M CB . 26823 1 319 . 1 1 73 73 MET N N 15 119.571 0.042 . . . . . . 336 M N . 26823 1 320 . 1 1 74 74 MET H H 1 8.260 0.002 . . . . . . 337 M H . 26823 1 321 . 1 1 74 74 MET C C 13 177.009 0.014 . . . . . . 337 M C . 26823 1 322 . 1 1 74 74 MET CA C 13 56.165 0.041 . . . . . . 337 M CA . 26823 1 323 . 1 1 74 74 MET CB C 13 32.436 0.206 . . . . . . 337 M CB . 26823 1 324 . 1 1 74 74 MET N N 15 119.686 0.014 . . . . . . 337 M N . 26823 1 325 . 1 1 75 75 GLY H H 1 8.257 0.002 . . . . . . 338 G H . 26823 1 326 . 1 1 75 75 GLY C C 13 174.439 0.009 . . . . . . 338 G C . 26823 1 327 . 1 1 75 75 GLY CA C 13 45.727 0.010 . . . . . . 338 G CA . 26823 1 328 . 1 1 75 75 GLY N N 15 109.007 0.027 . . . . . . 338 G N . 26823 1 329 . 1 1 76 76 MET H H 1 8.041 0.002 . . . . . . 339 M H . 26823 1 330 . 1 1 76 76 MET C C 13 176.579 0.005 . . . . . . 339 M C . 26823 1 331 . 1 1 76 76 MET CA C 13 55.989 0.057 . . . . . . 339 M CA . 26823 1 332 . 1 1 76 76 MET CB C 13 32.815 0.024 . . . . . . 339 M CB . 26823 1 333 . 1 1 76 76 MET N N 15 119.635 0.026 . . . . . . 339 M N . 26823 1 334 . 1 1 77 77 LEU H H 1 8.147 0.001 . . . . . . 340 L H . 26823 1 335 . 1 1 77 77 LEU C C 13 177.585 0.007 . . . . . . 340 L C . 26823 1 336 . 1 1 77 77 LEU CA C 13 55.536 0.071 . . . . . . 340 L CA . 26823 1 337 . 1 1 77 77 LEU CB C 13 42.237 0.028 . . . . . . 340 L CB . 26823 1 338 . 1 1 77 77 LEU N N 15 122.258 0.009 . . . . . . 340 L N . 26823 1 339 . 1 1 78 78 ALA H H 1 8.191 0.001 . . . . . . 341 A H . 26823 1 340 . 1 1 78 78 ALA C C 13 178.138 0.006 . . . . . . 341 A C . 26823 1 341 . 1 1 78 78 ALA CA C 13 53.141 0.065 . . . . . . 341 A CA . 26823 1 342 . 1 1 78 78 ALA CB C 13 18.959 0.048 . . . . . . 341 A CB . 26823 1 343 . 1 1 78 78 ALA N N 15 124.021 0.016 . . . . . . 341 A N . 26823 1 344 . 1 1 79 79 SER H H 1 8.079 0.001 . . . . . . 342 S H . 26823 1 345 . 1 1 79 79 SER C C 13 174.906 0.008 . . . . . . 342 S C . 26823 1 346 . 1 1 79 79 SER CA C 13 58.763 0.042 . . . . . . 342 S CA . 26823 1 347 . 1 1 79 79 SER CB C 13 63.666 0.009 . . . . . . 342 S CB . 26823 1 348 . 1 1 79 79 SER N N 15 113.746 0.006 . . . . . . 342 S N . 26823 1 349 . 1 1 80 80 GLN H H 1 8.194 0.001 . . . . . . 343 Q H . 26823 1 350 . 1 1 80 80 GLN C C 13 176.129 0.006 . . . . . . 343 Q C . 26823 1 351 . 1 1 80 80 GLN CA C 13 56.148 0.118 . . . . . . 343 Q CA . 26823 1 352 . 1 1 80 80 GLN CB C 13 29.290 0.032 . . . . . . 343 Q CB . 26823 1 353 . 1 1 80 80 GLN N N 15 121.388 0.013 . . . . . . 343 Q N . 26823 1 354 . 1 1 81 81 GLN H H 1 8.228 0.001 . . . . . . 344 Q H . 26823 1 355 . 1 1 81 81 GLN C C 13 175.807 0.010 . . . . . . 344 Q C . 26823 1 356 . 1 1 81 81 GLN CA C 13 56.177 0.014 . . . . . . 344 Q CA . 26823 1 357 . 1 1 81 81 GLN CB C 13 29.325 0.021 . . . . . . 344 Q CB . 26823 1 358 . 1 1 81 81 GLN N N 15 120.283 0.007 . . . . . . 344 Q N . 26823 1 359 . 1 1 82 82 ASN H H 1 8.396 0.004 . . . . . . 345 N H . 26823 1 360 . 1 1 82 82 ASN C C 13 175.198 0.014 . . . . . . 345 N C . 26823 1 361 . 1 1 82 82 ASN CA C 13 53.476 0.055 . . . . . . 345 N CA . 26823 1 362 . 1 1 82 82 ASN CB C 13 38.797 0.057 . . . . . . 345 N CB . 26823 1 363 . 1 1 82 82 ASN N N 15 119.228 0.010 . . . . . . 345 N N . 26823 1 364 . 1 1 83 83 GLN H H 1 8.352 0.001 . . . . . . 346 Q H . 26823 1 365 . 1 1 83 83 GLN C C 13 175.932 0.007 . . . . . . 346 Q C . 26823 1 366 . 1 1 83 83 GLN CA C 13 56.069 0.081 . . . . . . 346 Q CA . 26823 1 367 . 1 1 83 83 GLN CB C 13 29.409 0.037 . . . . . . 346 Q CB . 26823 1 368 . 1 1 83 83 GLN N N 15 120.631 0.011 . . . . . . 346 Q N . 26823 1 369 . 1 1 84 84 SER H H 1 8.337 0.001 . . . . . . 347 S H . 26823 1 370 . 1 1 84 84 SER C C 13 174.510 0.000 . . . . . . 347 S C . 26823 1 371 . 1 1 84 84 SER CA C 13 58.450 0.034 . . . . . . 347 S CA . 26823 1 372 . 1 1 84 84 SER CB C 13 64.052 0.004 . . . . . . 347 S CB . 26823 1 373 . 1 1 84 84 SER N N 15 116.606 0.008 . . . . . . 347 S N . 26823 1 374 . 1 1 85 85 GLY H H 1 8.187 0.001 . . . . . . 348 G H . 26823 1 375 . 1 1 85 85 GLY C C 13 171.919 0.000 . . . . . . 348 G C . 26823 1 376 . 1 1 85 85 GLY CA C 13 44.705 0.000 . . . . . . 348 G CA . 26823 1 377 . 1 1 85 85 GLY N N 15 110.451 0.011 . . . . . . 348 G N . 26823 1 378 . 1 1 86 86 PRO C C 13 177.399 0.008 . . . . . . 349 P C . 26823 1 379 . 1 1 86 86 PRO CA C 13 63.407 0.000 . . . . . . 349 P CA . 26823 1 380 . 1 1 86 86 PRO CB C 13 32.037 0.004 . . . . . . 349 P CB . 26823 1 381 . 1 1 87 87 SER H H 1 8.443 0.001 . . . . . . 350 S H . 26823 1 382 . 1 1 87 87 SER C C 13 175.118 0.007 . . . . . . 350 S C . 26823 1 383 . 1 1 87 87 SER CA C 13 58.539 0.084 . . . . . . 350 S CA . 26823 1 384 . 1 1 87 87 SER CB C 13 63.968 0.028 . . . . . . 350 S CB . 26823 1 385 . 1 1 87 87 SER N N 15 115.829 0.015 . . . . . . 350 S N . 26823 1 386 . 1 1 88 88 GLY H H 1 8.322 0.001 . . . . . . 351 G H . 26823 1 387 . 1 1 88 88 GLY C C 13 173.935 0.008 . . . . . . 351 G C . 26823 1 388 . 1 1 88 88 GLY CA C 13 45.459 0.023 . . . . . . 351 G CA . 26823 1 389 . 1 1 88 88 GLY N N 15 110.352 0.014 . . . . . . 351 G N . 26823 1 390 . 1 1 89 89 ASN H H 1 8.281 0.009 . . . . . . 352 N H . 26823 1 391 . 1 1 89 89 ASN C C 13 175.133 0.005 . . . . . . 352 N C . 26823 1 392 . 1 1 89 89 ASN CA C 13 53.246 0.068 . . . . . . 352 N CA . 26823 1 393 . 1 1 89 89 ASN CB C 13 38.827 0.001 . . . . . . 352 N CB . 26823 1 394 . 1 1 89 89 ASN N N 15 118.509 0.038 . . . . . . 352 N N . 26823 1 395 . 1 1 90 90 ASN H H 1 8.432 0.002 . . . . . . 353 N H . 26823 1 396 . 1 1 90 90 ASN C C 13 175.326 0.020 . . . . . . 353 N C . 26823 1 397 . 1 1 90 90 ASN CA C 13 53.517 0.055 . . . . . . 353 N CA . 26823 1 398 . 1 1 90 90 ASN CB C 13 38.664 0.053 . . . . . . 353 N CB . 26823 1 399 . 1 1 90 90 ASN N N 15 119.058 0.010 . . . . . . 353 N N . 26823 1 400 . 1 1 91 91 GLN H H 1 8.362 0.002 . . . . . . 354 Q H . 26823 1 401 . 1 1 91 91 GLN C C 13 175.856 0.007 . . . . . . 354 Q C . 26823 1 402 . 1 1 91 91 GLN CA C 13 56.258 0.037 . . . . . . 354 Q CA . 26823 1 403 . 1 1 91 91 GLN CB C 13 29.160 0.031 . . . . . . 354 Q CB . 26823 1 404 . 1 1 91 91 GLN N N 15 120.017 0.012 . . . . . . 354 Q N . 26823 1 405 . 1 1 92 92 ASN H H 1 8.426 0.003 . . . . . . 355 N H . 26823 1 406 . 1 1 92 92 ASN C C 13 175.279 0.009 . . . . . . 355 N C . 26823 1 407 . 1 1 92 92 ASN CA C 13 53.517 0.055 . . . . . . 355 N CA . 26823 1 408 . 1 1 92 92 ASN CB C 13 38.664 0.053 . . . . . . 355 N CB . 26823 1 409 . 1 1 92 92 ASN N N 15 119.027 0.016 . . . . . . 355 N N . 26823 1 410 . 1 1 93 93 GLN H H 1 8.358 0.004 . . . . . . 356 Q H . 26823 1 411 . 1 1 93 93 GLN C C 13 176.497 0.033 . . . . . . 356 Q C . 26823 1 412 . 1 1 93 93 GLN CA C 13 56.307 0.016 . . . . . . 356 Q CA . 26823 1 413 . 1 1 93 93 GLN CB C 13 29.222 0.045 . . . . . . 356 Q CB . 26823 1 414 . 1 1 93 93 GLN N N 15 120.037 0.018 . . . . . . 356 Q N . 26823 1 415 . 1 1 94 94 GLY H H 1 8.408 0.002 . . . . . . 357 G H . 26823 1 416 . 1 1 94 94 GLY C C 13 173.955 0.007 . . . . . . 357 G C . 26823 1 417 . 1 1 94 94 GLY CA C 13 45.453 0.014 . . . . . . 357 G CA . 26823 1 418 . 1 1 94 94 GLY N N 15 109.207 0.034 . . . . . . 357 G N . 26823 1 419 . 1 1 95 95 ASN H H 1 8.271 0.003 . . . . . . 358 N H . 26823 1 420 . 1 1 95 95 ASN C C 13 175.362 0.016 . . . . . . 358 N C . 26823 1 421 . 1 1 95 95 ASN CA C 13 53.304 0.016 . . . . . . 358 N CA . 26823 1 422 . 1 1 95 95 ASN CB C 13 38.783 0.067 . . . . . . 358 N CB . 26823 1 423 . 1 1 95 95 ASN N N 15 118.515 0.047 . . . . . . 358 N N . 26823 1 424 . 1 1 96 96 MET H H 1 8.284 0.007 . . . . . . 359 M H . 26823 1 425 . 1 1 96 96 MET C C 13 176.070 0.004 . . . . . . 359 M C . 26823 1 426 . 1 1 96 96 MET CA C 13 55.714 0.002 . . . . . . 359 M CA . 26823 1 427 . 1 1 96 96 MET CB C 13 32.661 0.032 . . . . . . 359 M CB . 26823 1 428 . 1 1 96 96 MET N N 15 120.373 0.041 . . . . . . 359 M N . 26823 1 429 . 1 1 97 97 GLN H H 1 8.329 0.001 . . . . . . 360 Q H . 26823 1 430 . 1 1 97 97 GLN C C 13 175.625 0.005 . . . . . . 360 Q C . 26823 1 431 . 1 1 97 97 GLN CA C 13 55.869 0.002 . . . . . . 360 Q CA . 26823 1 432 . 1 1 97 97 GLN CB C 13 29.261 0.028 . . . . . . 360 Q CB . 26823 1 433 . 1 1 97 97 GLN N N 15 121.215 0.013 . . . . . . 360 Q N . 26823 1 434 . 1 1 98 98 ARG H H 1 8.286 0.001 . . . . . . 361 R H . 26823 1 435 . 1 1 98 98 ARG C C 13 175.908 0.004 . . . . . . 361 R C . 26823 1 436 . 1 1 98 98 ARG CA C 13 55.939 0.064 . . . . . . 361 R CA . 26823 1 437 . 1 1 98 98 ARG CB C 13 31.092 0.037 . . . . . . 361 R CB . 26823 1 438 . 1 1 98 98 ARG N N 15 122.319 0.005 . . . . . . 361 R N . 26823 1 439 . 1 1 99 99 GLU H H 1 8.416 0.001 . . . . . . 362 E H . 26823 1 440 . 1 1 99 99 GLU C C 13 174.776 0.000 . . . . . . 362 E C . 26823 1 441 . 1 1 99 99 GLU CA C 13 54.527 0.000 . . . . . . 362 E CA . 26823 1 442 . 1 1 99 99 GLU CB C 13 29.595 0.000 . . . . . . 362 E CB . 26823 1 443 . 1 1 99 99 GLU N N 15 123.155 0.011 . . . . . . 362 E N . 26823 1 444 . 1 1 100 100 PRO C C 13 176.745 0.007 . . . . . . 363 P C . 26823 1 445 . 1 1 100 100 PRO CA C 13 63.539 0.036 . . . . . . 363 P CA . 26823 1 446 . 1 1 100 100 PRO CB C 13 31.994 0.005 . . . . . . 363 P CB . 26823 1 447 . 1 1 101 101 ASN H H 1 8.470 0.002 . . . . . . 364 N H . 26823 1 448 . 1 1 101 101 ASN C C 13 175.259 0.014 . . . . . . 364 N C . 26823 1 449 . 1 1 101 101 ASN CA C 13 53.480 0.040 . . . . . . 364 N CA . 26823 1 450 . 1 1 101 101 ASN CB C 13 38.598 0.020 . . . . . . 364 N CB . 26823 1 451 . 1 1 101 101 ASN N N 15 117.837 0.014 . . . . . . 364 N N . 26823 1 452 . 1 1 102 102 GLN H H 1 8.209 0.002 . . . . . . 365 Q H . 26823 1 453 . 1 1 102 102 GLN C C 13 175.542 0.004 . . . . . . 365 Q C . 26823 1 454 . 1 1 102 102 GLN CA C 13 55.902 0.014 . . . . . . 365 Q CA . 26823 1 455 . 1 1 102 102 GLN CB C 13 29.458 0.018 . . . . . . 365 Q CB . 26823 1 456 . 1 1 102 102 GLN N N 15 120.584 0.008 . . . . . . 365 Q N . 26823 1 457 . 1 1 103 103 ALA H H 1 8.222 0.001 . . . . . . 366 A H . 26823 1 458 . 1 1 103 103 ALA C C 13 177.423 0.007 . . . . . . 366 A C . 26823 1 459 . 1 1 103 103 ALA CA C 13 52.566 0.033 . . . . . . 366 A CA . 26823 1 460 . 1 1 103 103 ALA CB C 13 19.100 0.052 . . . . . . 366 A CB . 26823 1 461 . 1 1 103 103 ALA N N 15 124.736 0.022 . . . . . . 366 A N . 26823 1 462 . 1 1 104 104 PHE H H 1 8.141 0.001 . . . . . . 367 F H . 26823 1 463 . 1 1 104 104 PHE C C 13 176.377 0.004 . . . . . . 367 F C . 26823 1 464 . 1 1 104 104 PHE CA C 13 57.832 0.062 . . . . . . 367 F CA . 26823 1 465 . 1 1 104 104 PHE CB C 13 39.524 0.012 . . . . . . 367 F CB . 26823 1 466 . 1 1 104 104 PHE N N 15 119.285 0.013 . . . . . . 367 F N . 26823 1 467 . 1 1 105 105 GLY H H 1 8.253 0.005 . . . . . . 368 G H . 26823 1 468 . 1 1 105 105 GLY C C 13 174.143 0.008 . . . . . . 368 G C . 26823 1 469 . 1 1 105 105 GLY CA C 13 45.405 0.026 . . . . . . 368 G CA . 26823 1 470 . 1 1 105 105 GLY N N 15 110.616 0.033 . . . . . . 368 G N . 26823 1 471 . 1 1 106 106 SER H H 1 8.214 0.004 . . . . . . 369 S H . 26823 1 472 . 1 1 106 106 SER C C 13 175.096 0.003 . . . . . . 369 S C . 26823 1 473 . 1 1 106 106 SER CA C 13 58.587 0.078 . . . . . . 369 S CA . 26823 1 474 . 1 1 106 106 SER CB C 13 63.996 0.040 . . . . . . 369 S CB . 26823 1 475 . 1 1 106 106 SER N N 15 115.508 0.007 . . . . . . 369 S N . 26823 1 476 . 1 1 107 107 GLY H H 1 8.460 0.002 . . . . . . 370 G H . 26823 1 477 . 1 1 107 107 GLY C C 13 173.948 0.015 . . . . . . 370 G C . 26823 1 478 . 1 1 107 107 GLY CA C 13 45.447 0.008 . . . . . . 370 G CA . 26823 1 479 . 1 1 107 107 GLY N N 15 110.658 0.085 . . . . . . 370 G N . 26823 1 480 . 1 1 108 108 ASN H H 1 8.272 0.002 . . . . . . 371 N H . 26823 1 481 . 1 1 108 108 ASN C C 13 175.043 0.026 . . . . . . 371 N C . 26823 1 482 . 1 1 108 108 ASN CA C 13 53.255 0.060 . . . . . . 371 N CA . 26823 1 483 . 1 1 108 108 ASN CB C 13 38.809 0.017 . . . . . . 371 N CB . 26823 1 484 . 1 1 108 108 ASN N N 15 118.496 0.052 . . . . . . 371 N N . 26823 1 485 . 1 1 109 109 ASN H H 1 8.403 0.002 . . . . . . 372 N H . 26823 1 486 . 1 1 109 109 ASN C C 13 175.172 0.011 . . . . . . 372 N C . 26823 1 487 . 1 1 109 109 ASN CA C 13 53.395 0.103 . . . . . . 372 N CA . 26823 1 488 . 1 1 109 109 ASN CB C 13 38.861 0.012 . . . . . . 372 N CB . 26823 1 489 . 1 1 109 109 ASN N N 15 119.220 0.008 . . . . . . 372 N N . 26823 1 490 . 1 1 110 110 SER H H 1 8.190 0.001 . . . . . . 373 S H . 26823 1 491 . 1 1 110 110 SER C C 13 174.158 0.004 . . . . . . 373 S C . 26823 1 492 . 1 1 110 110 SER CA C 13 58.629 0.094 . . . . . . 373 S CA . 26823 1 493 . 1 1 110 110 SER CB C 13 63.779 0.022 . . . . . . 373 S CB . 26823 1 494 . 1 1 110 110 SER N N 15 115.678 0.011 . . . . . . 373 S N . 26823 1 495 . 1 1 111 111 TYR H H 1 8.179 0.001 . . . . . . 374 Y H . 26823 1 496 . 1 1 111 111 TYR C C 13 175.894 0.001 . . . . . . 374 Y C . 26823 1 497 . 1 1 111 111 TYR CA C 13 57.981 0.082 . . . . . . 374 Y CA . 26823 1 498 . 1 1 111 111 TYR CB C 13 38.623 0.044 . . . . . . 374 Y CB . 26823 1 499 . 1 1 111 111 TYR N N 15 121.963 0.009 . . . . . . 374 Y N . 26823 1 500 . 1 1 112 112 SER H H 1 8.200 0.001 . . . . . . 375 S H . 26823 1 501 . 1 1 112 112 SER C C 13 174.782 0.006 . . . . . . 375 S C . 26823 1 502 . 1 1 112 112 SER CA C 13 58.299 0.017 . . . . . . 375 S CA . 26823 1 503 . 1 1 112 112 SER CB C 13 63.919 0.029 . . . . . . 375 S CB . 26823 1 504 . 1 1 112 112 SER N N 15 117.815 0.005 . . . . . . 375 S N . 26823 1 505 . 1 1 113 113 GLY H H 1 7.863 0.001 . . . . . . 376 G H . 26823 1 506 . 1 1 113 113 GLY C C 13 174.160 0.022 . . . . . . 376 G C . 26823 1 507 . 1 1 113 113 GLY CA C 13 45.407 0.021 . . . . . . 376 G CA . 26823 1 508 . 1 1 113 113 GLY N N 15 110.348 0.005 . . . . . . 376 G N . 26823 1 509 . 1 1 114 114 SER H H 1 8.178 0.003 . . . . . . 377 S H . 26823 1 510 . 1 1 114 114 SER C C 13 174.443 0.052 . . . . . . 377 S C . 26823 1 511 . 1 1 114 114 SER CA C 13 58.460 0.049 . . . . . . 377 S CA . 26823 1 512 . 1 1 114 114 SER CB C 13 63.947 0.037 . . . . . . 377 S CB . 26823 1 513 . 1 1 114 114 SER N N 15 115.372 0.072 . . . . . . 377 S N . 26823 1 514 . 1 1 115 115 ASN H H 1 8.481 0.003 . . . . . . 378 N H . 26823 1 515 . 1 1 115 115 ASN C C 13 175.330 0.004 . . . . . . 378 N C . 26823 1 516 . 1 1 115 115 ASN CA C 13 53.280 0.040 . . . . . . 378 N CA . 26823 1 517 . 1 1 115 115 ASN CB C 13 38.763 0.004 . . . . . . 378 N CB . 26823 1 518 . 1 1 115 115 ASN N N 15 120.732 0.021 . . . . . . 378 N N . 26823 1 519 . 1 1 116 116 SER H H 1 8.263 0.001 . . . . . . 379 S H . 26823 1 520 . 1 1 116 116 SER C C 13 175.046 0.007 . . . . . . 379 S C . 26823 1 521 . 1 1 116 116 SER CA C 13 58.881 0.160 . . . . . . 379 S CA . 26823 1 522 . 1 1 116 116 SER CB C 13 63.841 0.075 . . . . . . 379 S CB . 26823 1 523 . 1 1 116 116 SER N N 15 116.008 0.012 . . . . . . 379 S N . 26823 1 524 . 1 1 117 117 GLY H H 1 8.365 0.002 . . . . . . 380 G H . 26823 1 525 . 1 1 117 117 GLY C C 13 173.848 0.003 . . . . . . 380 G C . 26823 1 526 . 1 1 117 117 GLY CA C 13 45.383 0.009 . . . . . . 380 G CA . 26823 1 527 . 1 1 117 117 GLY N N 15 110.697 0.020 . . . . . . 380 G N . 26823 1 528 . 1 1 118 118 ALA H H 1 7.965 0.001 . . . . . . 381 A H . 26823 1 529 . 1 1 118 118 ALA C C 13 177.393 0.015 . . . . . . 381 A C . 26823 1 530 . 1 1 118 118 ALA CA C 13 52.413 0.038 . . . . . . 381 A CA . 26823 1 531 . 1 1 118 118 ALA CB C 13 19.363 0.024 . . . . . . 381 A CB . 26823 1 532 . 1 1 118 118 ALA N N 15 123.484 0.006 . . . . . . 381 A N . 26823 1 533 . 1 1 119 119 ALA H H 1 8.128 0.001 . . . . . . 382 A H . 26823 1 534 . 1 1 119 119 ALA C C 13 177.627 0.008 . . . . . . 382 A C . 26823 1 535 . 1 1 119 119 ALA CA C 13 52.408 0.005 . . . . . . 382 A CA . 26823 1 536 . 1 1 119 119 ALA CB C 13 19.060 0.041 . . . . . . 382 A CB . 26823 1 537 . 1 1 119 119 ALA N N 15 123.001 0.007 . . . . . . 382 A N . 26823 1 538 . 1 1 120 120 ILE H H 1 7.946 0.001 . . . . . . 383 I H . 26823 1 539 . 1 1 120 120 ILE C C 13 176.679 0.004 . . . . . . 383 I C . 26823 1 540 . 1 1 120 120 ILE CA C 13 61.301 0.038 . . . . . . 383 I CA . 26823 1 541 . 1 1 120 120 ILE CB C 13 38.644 0.043 . . . . . . 383 I CB . 26823 1 542 . 1 1 120 120 ILE N N 15 119.454 0.013 . . . . . . 383 I N . 26823 1 543 . 1 1 121 121 GLY H H 1 8.266 0.001 . . . . . . 384 G H . 26823 1 544 . 1 1 121 121 GLY C C 13 173.915 0.005 . . . . . . 384 G C . 26823 1 545 . 1 1 121 121 GLY CA C 13 45.257 0.008 . . . . . . 384 G CA . 26823 1 546 . 1 1 121 121 GLY N N 15 112.230 0.008 . . . . . . 384 G N . 26823 1 547 . 1 1 122 122 TRP H H 1 8.025 0.002 . . . . . . 385 W H . 26823 1 548 . 1 1 122 122 TRP C C 13 176.801 0.007 . . . . . . 385 W C . 26823 1 549 . 1 1 122 122 TRP CA C 13 57.569 0.024 . . . . . . 385 W CA . 26823 1 550 . 1 1 122 122 TRP CB C 13 29.635 0.020 . . . . . . 385 W CB . 26823 1 551 . 1 1 122 122 TRP N N 15 121.152 0.011 . . . . . . 385 W N . 26823 1 552 . 1 1 123 123 GLY H H 1 8.266 0.002 . . . . . . 386 G H . 26823 1 553 . 1 1 123 123 GLY C C 13 174.136 0.008 . . . . . . 386 G C . 26823 1 554 . 1 1 123 123 GLY CA C 13 45.430 0.011 . . . . . . 386 G CA . 26823 1 555 . 1 1 123 123 GLY N N 15 110.661 0.024 . . . . . . 386 G N . 26823 1 556 . 1 1 124 124 SER H H 1 8.081 0.002 . . . . . . 387 S H . 26823 1 557 . 1 1 124 124 SER C C 13 174.467 0.005 . . . . . . 387 S C . 26823 1 558 . 1 1 124 124 SER CA C 13 58.370 0.067 . . . . . . 387 S CA . 26823 1 559 . 1 1 124 124 SER CB C 13 63.951 0.034 . . . . . . 387 S CB . 26823 1 560 . 1 1 124 124 SER N N 15 115.578 0.006 . . . . . . 387 S N . 26823 1 561 . 1 1 125 125 ALA H H 1 8.353 0.001 . . . . . . 388 A H . 26823 1 562 . 1 1 125 125 ALA C C 13 177.847 0.003 . . . . . . 388 A C . 26823 1 563 . 1 1 125 125 ALA CA C 13 52.709 0.036 . . . . . . 388 A CA . 26823 1 564 . 1 1 125 125 ALA CB C 13 19.161 0.044 . . . . . . 388 A CB . 26823 1 565 . 1 1 125 125 ALA N N 15 125.668 0.012 . . . . . . 388 A N . 26823 1 566 . 1 1 126 126 SER H H 1 8.188 0.002 . . . . . . 389 S H . 26823 1 567 . 1 1 126 126 SER C C 13 174.392 0.012 . . . . . . 389 S C . 26823 1 568 . 1 1 126 126 SER CA C 13 58.578 0.066 . . . . . . 389 S CA . 26823 1 569 . 1 1 126 126 SER CB C 13 63.760 0.012 . . . . . . 389 S CB . 26823 1 570 . 1 1 126 126 SER N N 15 114.408 0.012 . . . . . . 389 S N . 26823 1 571 . 1 1 127 127 ASN H H 1 8.297 0.001 . . . . . . 390 N H . 26823 1 572 . 1 1 127 127 ASN C C 13 174.968 0.007 . . . . . . 390 N C . 26823 1 573 . 1 1 127 127 ASN CA C 13 53.251 0.066 . . . . . . 390 N CA . 26823 1 574 . 1 1 127 127 ASN CB C 13 38.808 0.026 . . . . . . 390 N CB . 26823 1 575 . 1 1 127 127 ASN N N 15 120.476 0.016 . . . . . . 390 N N . 26823 1 576 . 1 1 128 128 ALA H H 1 8.188 0.002 . . . . . . 391 A H . 26823 1 577 . 1 1 128 128 ALA C C 13 178.138 0.002 . . . . . . 391 A C . 26823 1 578 . 1 1 128 128 ALA CA C 13 52.970 0.084 . . . . . . 391 A CA . 26823 1 579 . 1 1 128 128 ALA CB C 13 19.056 0.028 . . . . . . 391 A CB . 26823 1 580 . 1 1 128 128 ALA N N 15 124.004 0.009 . . . . . . 391 A N . 26823 1 581 . 1 1 129 129 GLY H H 1 8.291 0.001 . . . . . . 392 G H . 26823 1 582 . 1 1 129 129 GLY C C 13 174.376 0.004 . . . . . . 392 G C . 26823 1 583 . 1 1 129 129 GLY CA C 13 45.364 0.016 . . . . . . 392 G CA . 26823 1 584 . 1 1 129 129 GLY N N 15 107.838 0.012 . . . . . . 392 G N . 26823 1 585 . 1 1 130 130 SER H H 1 8.174 0.002 . . . . . . 393 S H . 26823 1 586 . 1 1 130 130 SER C C 13 175.163 0.002 . . . . . . 393 S C . 26823 1 587 . 1 1 130 130 SER CA C 13 58.561 0.057 . . . . . . 393 S CA . 26823 1 588 . 1 1 130 130 SER CB C 13 63.972 0.032 . . . . . . 393 S CB . 26823 1 589 . 1 1 130 130 SER N N 15 115.464 0.057 . . . . . . 393 S N . 26823 1 590 . 1 1 131 131 GLY H H 1 8.459 0.002 . . . . . . 394 G H . 26823 1 591 . 1 1 131 131 GLY C C 13 174.309 0.001 . . . . . . 394 G C . 26823 1 592 . 1 1 131 131 GLY CA C 13 45.412 0.034 . . . . . . 394 G CA . 26823 1 593 . 1 1 131 131 GLY N N 15 110.853 0.049 . . . . . . 394 G N . 26823 1 594 . 1 1 132 132 SER H H 1 8.222 0.003 . . . . . . 395 S H . 26823 1 595 . 1 1 132 132 SER C C 13 175.013 0.008 . . . . . . 395 S C . 26823 1 596 . 1 1 132 132 SER CA C 13 58.615 0.084 . . . . . . 395 S CA . 26823 1 597 . 1 1 132 132 SER CB C 13 63.942 0.004 . . . . . . 395 S CB . 26823 1 598 . 1 1 132 132 SER N N 15 115.516 0.005 . . . . . . 395 S N . 26823 1 599 . 1 1 133 133 GLY H H 1 8.378 0.004 . . . . . . 396 G H . 26823 1 600 . 1 1 133 133 GLY C C 13 173.858 0.007 . . . . . . 396 G C . 26823 1 601 . 1 1 133 133 GLY CA C 13 45.283 0.073 . . . . . . 396 G CA . 26823 1 602 . 1 1 133 133 GLY N N 15 110.472 0.077 . . . . . . 396 G N . 26823 1 603 . 1 1 134 134 PHE H H 1 8.110 0.002 . . . . . . 397 F H . 26823 1 604 . 1 1 134 134 PHE C C 13 175.751 0.004 . . . . . . 397 F C . 26823 1 605 . 1 1 134 134 PHE CA C 13 57.939 0.039 . . . . . . 397 F CA . 26823 1 606 . 1 1 134 134 PHE CB C 13 39.505 0.028 . . . . . . 397 F CB . 26823 1 607 . 1 1 134 134 PHE N N 15 120.223 0.024 . . . . . . 397 F N . 26823 1 608 . 1 1 135 135 ASN H H 1 8.415 0.002 . . . . . . 398 N H . 26823 1 609 . 1 1 135 135 ASN C C 13 175.350 0.005 . . . . . . 398 N C . 26823 1 610 . 1 1 135 135 ASN CA C 13 53.066 0.035 . . . . . . 398 N CA . 26823 1 611 . 1 1 135 135 ASN CB C 13 38.794 0.020 . . . . . . 398 N CB . 26823 1 612 . 1 1 135 135 ASN N N 15 121.471 0.017 . . . . . . 398 N N . 26823 1 613 . 1 1 136 136 GLY H H 1 7.788 0.001 . . . . . . 399 G H . 26823 1 614 . 1 1 136 136 GLY C C 13 174.416 0.063 . . . . . . 399 G C . 26823 1 615 . 1 1 136 136 GLY CA C 13 45.496 0.098 . . . . . . 399 G CA . 26823 1 616 . 1 1 136 136 GLY N N 15 108.482 0.018 . . . . . . 399 G N . 26823 1 617 . 1 1 137 137 GLY H H 1 8.106 0.001 . . . . . . 400 G H . 26823 1 618 . 1 1 137 137 GLY C C 13 173.964 0.020 . . . . . . 400 G C . 26823 1 619 . 1 1 137 137 GLY CA C 13 45.098 0.090 . . . . . . 400 G CA . 26823 1 620 . 1 1 137 137 GLY N N 15 108.272 0.005 . . . . . . 400 G N . 26823 1 621 . 1 1 138 138 PHE H H 1 8.117 0.001 . . . . . . 401 F H . 26823 1 622 . 1 1 138 138 PHE C C 13 176.416 0.003 . . . . . . 401 F C . 26823 1 623 . 1 1 138 138 PHE CA C 13 58.055 0.046 . . . . . . 401 F CA . 26823 1 624 . 1 1 138 138 PHE CB C 13 39.573 0.082 . . . . . . 401 F CB . 26823 1 625 . 1 1 138 138 PHE N N 15 119.905 0.017 . . . . . . 401 F N . 26823 1 626 . 1 1 139 139 GLY H H 1 8.371 0.002 . . . . . . 402 G H . 26823 1 627 . 1 1 139 139 GLY C C 13 174.064 0.009 . . . . . . 402 G C . 26823 1 628 . 1 1 139 139 GLY CA C 13 45.378 0.020 . . . . . . 402 G CA . 26823 1 629 . 1 1 139 139 GLY N N 15 110.711 0.013 . . . . . . 402 G N . 26823 1 630 . 1 1 140 140 SER H H 1 8.173 0.002 . . . . . . 403 S H . 26823 1 631 . 1 1 140 140 SER C C 13 174.752 0.003 . . . . . . 403 S C . 26823 1 632 . 1 1 140 140 SER CA C 13 58.397 0.112 . . . . . . 403 S CA . 26823 1 633 . 1 1 140 140 SER CB C 13 64.031 0.047 . . . . . . 403 S CB . 26823 1 634 . 1 1 140 140 SER N N 15 115.498 0.042 . . . . . . 403 S N . 26823 1 635 . 1 1 141 141 SER H H 1 8.397 0.001 . . . . . . 404 S H . 26823 1 636 . 1 1 141 141 SER C C 13 174.740 0.011 . . . . . . 404 S C . 26823 1 637 . 1 1 141 141 SER CA C 13 58.640 0.071 . . . . . . 404 S CA . 26823 1 638 . 1 1 141 141 SER CB C 13 63.769 0.054 . . . . . . 404 S CB . 26823 1 639 . 1 1 141 141 SER N N 15 117.557 0.011 . . . . . . 404 S N . 26823 1 640 . 1 1 142 142 MET H H 1 8.351 0.001 . . . . . . 405 M H . 26823 1 641 . 1 1 142 142 MET C C 13 175.975 0.007 . . . . . . 405 M C . 26823 1 642 . 1 1 142 142 MET CA C 13 55.791 0.058 . . . . . . 405 M CA . 26823 1 643 . 1 1 142 142 MET CB C 13 32.640 0.045 . . . . . . 405 M CB . 26823 1 644 . 1 1 142 142 MET N N 15 121.706 0.019 . . . . . . 405 M N . 26823 1 645 . 1 1 143 143 ASP H H 1 8.200 0.001 . . . . . . 406 D H . 26823 1 646 . 1 1 143 143 ASP C C 13 176.425 0.011 . . . . . . 406 D C . 26823 1 647 . 1 1 143 143 ASP CA C 13 54.356 0.060 . . . . . . 406 D CA . 26823 1 648 . 1 1 143 143 ASP CB C 13 41.290 0.027 . . . . . . 406 D CB . 26823 1 649 . 1 1 143 143 ASP N N 15 120.945 0.018 . . . . . . 406 D N . 26823 1 650 . 1 1 144 144 SER H H 1 8.209 0.001 . . . . . . 407 S H . 26823 1 651 . 1 1 144 144 SER C C 13 174.895 0.005 . . . . . . 407 S C . 26823 1 652 . 1 1 144 144 SER CA C 13 58.968 0.090 . . . . . . 407 S CA . 26823 1 653 . 1 1 144 144 SER CB C 13 63.615 0.025 . . . . . . 407 S CB . 26823 1 654 . 1 1 144 144 SER N N 15 116.564 0.005 . . . . . . 407 S N . 26823 1 655 . 1 1 145 145 LYS H H 1 8.280 0.002 . . . . . . 408 K H . 26823 1 656 . 1 1 145 145 LYS C C 13 176.935 0.001 . . . . . . 408 K C . 26823 1 657 . 1 1 145 145 LYS CA C 13 56.568 0.025 . . . . . . 408 K CA . 26823 1 658 . 1 1 145 145 LYS CB C 13 32.625 0.015 . . . . . . 408 K CB . 26823 1 659 . 1 1 145 145 LYS N N 15 122.508 0.007 . . . . . . 408 K N . 26823 1 660 . 1 1 146 146 SER H H 1 8.173 0.001 . . . . . . 409 S H . 26823 1 661 . 1 1 146 146 SER C C 13 174.713 0.001 . . . . . . 409 S C . 26823 1 662 . 1 1 146 146 SER CA C 13 58.534 0.087 . . . . . . 409 S CA . 26823 1 663 . 1 1 146 146 SER CB C 13 63.829 0.000 . . . . . . 409 S CB . 26823 1 664 . 1 1 146 146 SER N N 15 116.070 0.020 . . . . . . 409 S N . 26823 1 665 . 1 1 147 147 SER H H 1 8.255 0.001 . . . . . . 410 S H . 26823 1 666 . 1 1 147 147 SER C C 13 174.849 0.014 . . . . . . 410 S C . 26823 1 667 . 1 1 147 147 SER CA C 13 58.772 0.075 . . . . . . 410 S CA . 26823 1 668 . 1 1 147 147 SER CB C 13 63.826 0.015 . . . . . . 410 S CB . 26823 1 669 . 1 1 147 147 SER N N 15 117.426 0.005 . . . . . . 410 S N . 26823 1 670 . 1 1 148 148 GLY H H 1 8.270 0.002 . . . . . . 411 G H . 26823 1 671 . 1 1 148 148 GLY C C 13 173.831 0.011 . . . . . . 411 G C . 26823 1 672 . 1 1 148 148 GLY CA C 13 45.352 0.012 . . . . . . 411 G CA . 26823 1 673 . 1 1 148 148 GLY N N 15 110.234 0.016 . . . . . . 411 G N . 26823 1 674 . 1 1 149 149 TRP H H 1 8.002 0.001 . . . . . . 412 W H . 26823 1 675 . 1 1 149 149 TRP C C 13 176.679 0.009 . . . . . . 412 W C . 26823 1 676 . 1 1 149 149 TRP CA C 13 57.605 0.032 . . . . . . 412 W CA . 26823 1 677 . 1 1 149 149 TRP CB C 13 29.539 0.017 . . . . . . 412 W CB . 26823 1 678 . 1 1 149 149 TRP N N 15 120.858 0.010 . . . . . . 412 W N . 26823 1 679 . 1 1 150 150 GLY H H 1 8.226 0.001 . . . . . . 413 G H . 26823 1 680 . 1 1 150 150 GLY C C 13 173.097 0.000 . . . . . . 413 G C . 26823 1 681 . 1 1 150 150 GLY CA C 13 45.504 0.010 . . . . . . 413 G CA . 26823 1 682 . 1 1 150 150 GLY N N 15 111.395 0.010 . . . . . . 413 G N . 26823 1 683 . 1 1 151 151 MET H H 1 7.635 0.002 . . . . . . 414 M H . 26823 1 684 . 1 1 151 151 MET C C 13 173.340 0.000 . . . . . . 414 M C . 26823 1 685 . 1 1 151 151 MET CA C 13 56.907 0.000 . . . . . . 414 M CA . 26823 1 686 . 1 1 151 151 MET CB C 13 33.739 0.000 . . . . . . 414 M CB . 26823 1 687 . 1 1 151 151 MET N N 15 124.562 0.012 . . . . . . 414 M N . 26823 1 stop_ save_ ################################### # 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_WT_TDP-43_267-414_283_K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode WT_TDP-43_267-414_283_K _Assigned_chem_shift_list.Entry_ID 26823 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $283_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 6 '2D 1H-15N HSQC' . . . 26823 2 7 '3D HNCACB' . . . 26823 2 8 '3D CBCA(CO)NH' . . . 26823 2 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 4 4 ASN H H 1 8.677 0.001 . . . . . . 267 N H . 26823 2 2 . 1 1 4 4 ASN CA C 13 53.305 0.067 . . . . . . 267 N CA . 26823 2 3 . 1 1 4 4 ASN CB C 13 38.598 0.024 . . . . . . 267 N CB . 26823 2 4 . 1 1 4 4 ASN N N 15 120.920 0.011 . . . . . . 267 N N . 26823 2 5 . 1 1 5 5 ARG H H 1 8.469 0.002 . . . . . . 268 R H . 26823 2 6 . 1 1 5 5 ARG CA C 13 56.499 0.026 . . . . . . 268 R CA . 26823 2 7 . 1 1 5 5 ARG CB C 13 30.559 0.049 . . . . . . 268 R CB . 26823 2 8 . 1 1 5 5 ARG N N 15 122.124 0.007 . . . . . . 268 R N . 26823 2 9 . 1 1 6 6 GLN H H 1 8.486 0.001 . . . . . . 269 Q H . 26823 2 10 . 1 1 6 6 GLN CA C 13 56.266 0.075 . . . . . . 269 Q CA . 26823 2 11 . 1 1 6 6 GLN CB C 13 29.100 0.011 . . . . . . 269 Q CB . 26823 2 12 . 1 1 6 6 GLN N N 15 121.272 0.003 . . . . . . 269 Q N . 26823 2 13 . 1 1 7 7 LEU H H 1 8.291 0.000 . . . . . . 270 L H . 26823 2 14 . 1 1 7 7 LEU CA C 13 55.346 0.019 . . . . . . 270 L CA . 26823 2 15 . 1 1 7 7 LEU CB C 13 42.233 0.028 . . . . . . 270 L CB . 26823 2 16 . 1 1 7 7 LEU N N 15 123.077 0.013 . . . . . . 270 L N . 26823 2 17 . 1 1 8 8 GLU H H 1 8.397 0.001 . . . . . . 271 E H . 26823 2 18 . 1 1 8 8 GLU CA C 13 56.726 0.039 . . . . . . 271 E CA . 26823 2 19 . 1 1 8 8 GLU CB C 13 30.150 0.000 . . . . . . 271 E CB . 26823 2 20 . 1 1 8 8 GLU N N 15 122.001 0.017 . . . . . . 271 E N . 26823 2 21 . 1 1 9 9 ARG H H 1 8.463 0.002 . . . . . . 272 R H . 26823 2 22 . 1 1 9 9 ARG CA C 13 56.400 0.081 . . . . . . 272 R CA . 26823 2 23 . 1 1 9 9 ARG CB C 13 30.552 0.032 . . . . . . 272 R CB . 26823 2 24 . 1 1 9 9 ARG N N 15 122.123 0.017 . . . . . . 272 R N . 26823 2 25 . 1 1 10 10 SER H H 1 8.367 0.002 . . . . . . 273 S H . 26823 2 26 . 1 1 10 10 SER CA C 13 58.642 0.092 . . . . . . 273 S CA . 26823 2 27 . 1 1 10 10 SER CB C 13 63.936 0.031 . . . . . . 273 S CB . 26823 2 28 . 1 1 10 10 SER N N 15 116.530 0.015 . . . . . . 273 S N . 26823 2 29 . 1 1 11 11 GLY H H 1 8.461 0.001 . . . . . . 274 G H . 26823 2 30 . 1 1 11 11 GLY CA C 13 45.285 0.031 . . . . . . 274 G CA . 26823 2 31 . 1 1 11 11 GLY N N 15 110.627 0.020 . . . . . . 274 G N . 26823 2 32 . 1 1 12 12 ARG H H 1 8.140 0.002 . . . . . . 275 R H . 26823 2 33 . 1 1 12 12 ARG CA C 13 56.296 0.028 . . . . . . 275 R CA . 26823 2 34 . 1 1 12 12 ARG CB C 13 30.614 0.007 . . . . . . 275 R CB . 26823 2 35 . 1 1 12 12 ARG N N 15 120.454 0.009 . . . . . . 275 R N . 26823 2 36 . 1 1 13 13 PHE H H 1 8.421 0.001 . . . . . . 276 F H . 26823 2 37 . 1 1 13 13 PHE CA C 13 57.692 0.000 . . . . . . 276 F CA . 26823 2 38 . 1 1 13 13 PHE CB C 13 39.320 0.000 . . . . . . 276 F CB . 26823 2 39 . 1 1 13 13 PHE N N 15 121.051 0.008 . . . . . . 276 F N . 26823 2 40 . 1 1 14 14 GLY H H 1 8.340 0.004 . . . . . . 277 G H . 26823 2 41 . 1 1 14 14 GLY CA C 13 45.283 0.000 . . . . . . 277 G CA . 26823 2 42 . 1 1 14 14 GLY N N 15 110.915 0.026 . . . . . . 277 G N . 26823 2 43 . 1 1 15 15 GLY H H 1 7.950 0.001 . . . . . . 278 G H . 26823 2 44 . 1 1 15 15 GLY CA C 13 44.916 0.045 . . . . . . 278 G CA . 26823 2 45 . 1 1 15 15 GLY N N 15 107.863 0.003 . . . . . . 278 G N . 26823 2 46 . 1 1 16 16 ASN H H 1 8.424 0.001 . . . . . . 279 N H . 26823 2 47 . 1 1 16 16 ASN CA C 13 51.341 0.000 . . . . . . 279 N CA . 26823 2 48 . 1 1 16 16 ASN CB C 13 38.690 0.000 . . . . . . 279 N CB . 26823 2 49 . 1 1 16 16 ASN N N 15 119.085 0.009 . . . . . . 279 N N . 26823 2 50 . 1 1 17 17 PRO CA C 13 63.859 0.080 . . . . . . 280 P CA . 26823 2 51 . 1 1 17 17 PRO CB C 13 31.895 0.012 . . . . . . 280 P CB . 26823 2 52 . 1 1 18 18 GLY H H 1 8.482 0.002 . . . . . . 281 G H . 26823 2 53 . 1 1 18 18 GLY CA C 13 45.223 0.021 . . . . . . 281 G CA . 26823 2 54 . 1 1 18 18 GLY N N 15 108.860 0.012 . . . . . . 281 G N . 26823 2 55 . 1 1 19 19 GLY H H 1 8.097 0.001 . . . . . . 282 G H . 26823 2 56 . 1 1 19 19 GLY CA C 13 45.115 0.029 . . . . . . 282 G CA . 26823 2 57 . 1 1 19 19 GLY N N 15 108.246 0.013 . . . . . . 282 G N . 26823 2 58 . 1 1 20 20 PHE H H 1 8.225 0.001 . . . . . . 283 F H . 26823 2 59 . 1 1 20 20 PHE CA C 13 58.025 0.025 . . . . . . 283 F CA . 26823 2 60 . 1 1 20 20 PHE CB C 13 39.519 0.014 . . . . . . 283 F CB . 26823 2 61 . 1 1 20 20 PHE N N 15 119.812 0.026 . . . . . . 283 F N . 26823 2 62 . 1 1 21 21 GLY H H 1 8.483 0.001 . . . . . . 284 G H . 26823 2 63 . 1 1 21 21 GLY CA C 13 45.407 0.030 . . . . . . 284 G CA . 26823 2 64 . 1 1 21 21 GLY N N 15 110.447 0.004 . . . . . . 284 G N . 26823 2 65 . 1 1 22 22 ASN H H 1 8.334 0.001 . . . . . . 285 N H . 26823 2 66 . 1 1 22 22 ASN CA C 13 53.259 0.041 . . . . . . 285 N CA . 26823 2 67 . 1 1 22 22 ASN CB C 13 38.755 0.029 . . . . . . 285 N CB . 26823 2 68 . 1 1 22 22 ASN N N 15 118.811 0.000 . . . . . . 285 N N . 26823 2 69 . 1 1 23 23 GLN H H 1 8.544 0.001 . . . . . . 286 Q H . 26823 2 70 . 1 1 23 23 GLN CA C 13 55.960 0.194 . . . . . . 286 Q CA . 26823 2 71 . 1 1 23 23 GLN CB C 13 29.126 0.017 . . . . . . 286 Q CB . 26823 2 72 . 1 1 23 23 GLN N N 15 120.595 0.003 . . . . . . 286 Q N . 26823 2 73 . 1 1 24 24 GLY H H 1 8.456 0.001 . . . . . . 287 G H . 26823 2 74 . 1 1 24 24 GLY CA C 13 45.468 0.039 . . . . . . 287 G CA . 26823 2 75 . 1 1 24 24 GLY N N 15 109.508 0.000 . . . . . . 287 G N . 26823 2 76 . 1 1 25 25 GLY H H 1 8.074 0.001 . . . . . . 288 G H . 26823 2 77 . 1 1 25 25 GLY CA C 13 45.039 0.014 . . . . . . 288 G CA . 26823 2 78 . 1 1 25 25 GLY N N 15 108.150 0.017 . . . . . . 288 G N . 26823 2 79 . 1 1 26 26 PHE H H 1 8.235 0.000 . . . . . . 289 F H . 26823 2 80 . 1 1 26 26 PHE CA C 13 58.011 0.019 . . . . . . 289 F CA . 26823 2 81 . 1 1 26 26 PHE CB C 13 39.528 0.018 . . . . . . 289 F CB . 26823 2 82 . 1 1 26 26 PHE N N 15 119.754 0.001 . . . . . . 289 F N . 26823 2 83 . 1 1 27 27 GLY H H 1 8.483 0.001 . . . . . . 290 G H . 26823 2 84 . 1 1 27 27 GLY CA C 13 45.389 0.029 . . . . . . 290 G CA . 26823 2 85 . 1 1 27 27 GLY N N 15 110.441 0.024 . . . . . . 290 G N . 26823 2 86 . 1 1 28 28 ASN H H 1 8.339 0.001 . . . . . . 291 N H . 26823 2 87 . 1 1 28 28 ASN CA C 13 53.145 0.080 . . . . . . 291 N CA . 26823 2 88 . 1 1 28 28 ASN CB C 13 38.856 0.054 . . . . . . 291 N CB . 26823 2 89 . 1 1 28 28 ASN N N 15 118.679 0.015 . . . . . . 291 N N . 26823 2 90 . 1 1 29 29 SER H H 1 8.390 0.001 . . . . . . 292 S H . 26823 2 91 . 1 1 29 29 SER CA C 13 58.772 0.033 . . . . . . 292 S CA . 26823 2 92 . 1 1 29 29 SER CB C 13 63.682 0.015 . . . . . . 292 S CB . 26823 2 93 . 1 1 29 29 SER N N 15 116.321 0.016 . . . . . . 292 S N . 26823 2 94 . 1 1 30 30 ARG H H 1 8.452 0.001 . . . . . . 293 R H . 26823 2 95 . 1 1 30 30 ARG CA C 13 56.334 0.039 . . . . . . 293 R CA . 26823 2 96 . 1 1 30 30 ARG CB C 13 30.483 0.023 . . . . . . 293 R CB . 26823 2 97 . 1 1 30 30 ARG N N 15 122.574 0.012 . . . . . . 293 R N . 26823 2 98 . 1 1 31 31 GLY H H 1 8.395 0.001 . . . . . . 294 G H . 26823 2 99 . 1 1 31 31 GLY CA C 13 45.282 0.011 . . . . . . 294 G CA . 26823 2 100 . 1 1 31 31 GLY N N 15 109.585 0.013 . . . . . . 294 G N . 26823 2 101 . 1 1 32 32 GLY H H 1 8.332 0.001 . . . . . . 295 G H . 26823 2 102 . 1 1 32 32 GLY CA C 13 45.308 0.021 . . . . . . 295 G CA . 26823 2 103 . 1 1 32 32 GLY N N 15 108.710 0.008 . . . . . . 295 G N . 26823 2 104 . 1 1 33 33 GLY H H 1 8.348 0.001 . . . . . . 296 G H . 26823 2 105 . 1 1 33 33 GLY CA C 13 45.186 0.051 . . . . . . 296 G CA . 26823 2 106 . 1 1 33 33 GLY N N 15 108.635 0.012 . . . . . . 296 G N . 26823 2 107 . 1 1 34 34 ALA H H 1 8.322 0.001 . . . . . . 297 A H . 26823 2 108 . 1 1 34 34 ALA CA C 13 52.634 0.024 . . . . . . 297 A CA . 26823 2 109 . 1 1 34 34 ALA CB C 13 19.213 0.021 . . . . . . 297 A CB . 26823 2 110 . 1 1 34 34 ALA N N 15 123.691 0.006 . . . . . . 297 A N . 26823 2 111 . 1 1 35 35 GLY H H 1 8.435 0.001 . . . . . . 298 G H . 26823 2 112 . 1 1 35 35 GLY CA C 13 45.285 0.014 . . . . . . 298 G CA . 26823 2 113 . 1 1 35 35 GLY N N 15 108.106 0.009 . . . . . . 298 G N . 26823 2 114 . 1 1 36 36 LEU H H 1 8.188 0.001 . . . . . . 299 L H . 26823 2 115 . 1 1 36 36 LEU CA C 13 55.234 0.032 . . . . . . 299 L CA . 26823 2 116 . 1 1 36 36 LEU CB C 13 42.327 0.022 . . . . . . 299 L CB . 26823 2 117 . 1 1 36 36 LEU N N 15 121.312 0.007 . . . . . . 299 L N . 26823 2 118 . 1 1 37 37 GLY H H 1 8.503 0.001 . . . . . . 300 G H . 26823 2 119 . 1 1 37 37 GLY CA C 13 45.376 0.028 . . . . . . 300 G CA . 26823 2 120 . 1 1 37 37 GLY N N 15 109.288 0.031 . . . . . . 300 G N . 26823 2 121 . 1 1 38 38 ASN H H 1 8.341 0.003 . . . . . . 301 N H . 26823 2 122 . 1 1 38 38 ASN CA C 13 53.172 0.093 . . . . . . 301 N CA . 26823 2 123 . 1 1 38 38 ASN CB C 13 38.742 0.012 . . . . . . 301 N CB . 26823 2 124 . 1 1 38 38 ASN N N 15 118.665 0.015 . . . . . . 301 N N . 26823 2 125 . 1 1 39 39 ASN H H 1 8.539 0.001 . . . . . . 302 N H . 26823 2 126 . 1 1 39 39 ASN CA C 13 53.457 0.049 . . . . . . 302 N CA . 26823 2 127 . 1 1 39 39 ASN CB C 13 38.632 0.016 . . . . . . 302 N CB . 26823 2 128 . 1 1 39 39 ASN N N 15 119.113 0.005 . . . . . . 302 N N . 26823 2 129 . 1 1 40 40 GLN H H 1 8.417 0.001 . . . . . . 303 Q H . 26823 2 130 . 1 1 40 40 GLN CA C 13 56.263 0.063 . . . . . . 303 Q CA . 26823 2 131 . 1 1 40 40 GLN CB C 13 29.191 0.017 . . . . . . 303 Q CB . 26823 2 132 . 1 1 40 40 GLN N N 15 120.449 0.010 . . . . . . 303 Q N . 26823 2 133 . 1 1 41 41 GLY H H 1 8.466 0.001 . . . . . . 304 G H . 26823 2 134 . 1 1 41 41 GLY CA C 13 45.403 0.000 . . . . . . 304 G CA . 26823 2 135 . 1 1 41 41 GLY N N 15 109.631 0.034 . . . . . . 304 G N . 26823 2 136 . 1 1 42 42 SER H H 1 8.247 0.000 . . . . . . 305 S H . 26823 2 137 . 1 1 42 42 SER CA C 13 58.393 0.013 . . . . . . 305 S CA . 26823 2 138 . 1 1 42 42 SER CB C 13 63.880 0.052 . . . . . . 305 S CB . 26823 2 139 . 1 1 42 42 SER N N 15 115.627 0.000 . . . . . . 305 S N . 26823 2 140 . 1 1 43 43 ASN H H 1 8.570 0.002 . . . . . . 306 N H . 26823 2 141 . 1 1 43 43 ASN CA C 13 53.397 0.065 . . . . . . 306 N CA . 26823 2 142 . 1 1 43 43 ASN CB C 13 38.531 0.030 . . . . . . 306 N CB . 26823 2 143 . 1 1 43 43 ASN N N 15 120.571 0.033 . . . . . . 306 N N . 26823 2 144 . 1 1 44 44 MET H H 1 8.383 0.001 . . . . . . 307 M H . 26823 2 145 . 1 1 44 44 MET CA C 13 55.687 0.073 . . . . . . 307 M CA . 26823 2 146 . 1 1 44 44 MET CB C 13 32.363 0.081 . . . . . . 307 M CB . 26823 2 147 . 1 1 44 44 MET N N 15 120.382 0.010 . . . . . . 307 M N . 26823 2 148 . 1 1 45 45 GLY H H 1 8.453 0.002 . . . . . . 308 G H . 26823 2 149 . 1 1 45 45 GLY CA C 13 45.431 0.022 . . . . . . 308 G CA . 26823 2 150 . 1 1 45 45 GLY N N 15 109.696 0.009 . . . . . . 308 G N . 26823 2 151 . 1 1 46 46 GLY H H 1 8.308 0.001 . . . . . . 309 G H . 26823 2 152 . 1 1 46 46 GLY CA C 13 45.331 0.058 . . . . . . 309 G CA . 26823 2 153 . 1 1 46 46 GLY N N 15 108.693 0.008 . . . . . . 309 G N . 26823 2 154 . 1 1 47 47 GLY H H 1 8.366 0.001 . . . . . . 310 G H . 26823 2 155 . 1 1 47 47 GLY CA C 13 45.200 0.006 . . . . . . 310 G CA . 26823 2 156 . 1 1 47 47 GLY N N 15 108.865 0.010 . . . . . . 310 G N . 26823 2 157 . 1 1 48 48 MET H H 1 8.254 0.000 . . . . . . 311 M H . 26823 2 158 . 1 1 48 48 MET CA C 13 55.398 0.044 . . . . . . 311 M CA . 26823 2 159 . 1 1 48 48 MET CB C 13 32.735 0.100 . . . . . . 311 M CB . 26823 2 160 . 1 1 48 48 MET N N 15 119.427 0.006 . . . . . . 311 M N . 26823 2 161 . 1 1 49 49 ASN H H 1 8.396 0.002 . . . . . . 312 N H . 26823 2 162 . 1 1 49 49 ASN CA C 13 52.986 0.041 . . . . . . 312 N CA . 26823 2 163 . 1 1 49 49 ASN CB C 13 38.661 0.020 . . . . . . 312 N CB . 26823 2 164 . 1 1 49 49 ASN N N 15 119.472 0.015 . . . . . . 312 N N . 26823 2 165 . 1 1 50 50 PHE H H 1 8.304 0.003 . . . . . . 313 F H . 26823 2 166 . 1 1 50 50 PHE CA C 13 58.178 0.081 . . . . . . 313 F CA . 26823 2 167 . 1 1 50 50 PHE CB C 13 39.255 0.089 . . . . . . 313 F CB . 26823 2 168 . 1 1 50 50 PHE N N 15 121.044 0.015 . . . . . . 313 F N . 26823 2 169 . 1 1 51 51 GLY H H 1 8.361 0.001 . . . . . . 314 G H . 26823 2 170 . 1 1 51 51 GLY CA C 13 45.393 0.039 . . . . . . 314 G CA . 26823 2 171 . 1 1 51 51 GLY N N 15 110.050 0.010 . . . . . . 314 G N . 26823 2 172 . 1 1 52 52 ALA H H 1 8.079 0.002 . . . . . . 315 A H . 26823 2 173 . 1 1 52 52 ALA CA C 13 52.729 0.123 . . . . . . 315 A CA . 26823 2 174 . 1 1 52 52 ALA CB C 13 19.040 0.005 . . . . . . 315 A CB . 26823 2 175 . 1 1 52 52 ALA N N 15 123.667 0.012 . . . . . . 315 A N . 26823 2 176 . 1 1 53 53 PHE H H 1 8.124 0.003 . . . . . . 316 F H . 26823 2 177 . 1 1 53 53 PHE CA C 13 57.572 0.075 . . . . . . 316 F CA . 26823 2 178 . 1 1 53 53 PHE CB C 13 39.499 0.033 . . . . . . 316 F CB . 26823 2 179 . 1 1 53 53 PHE N N 15 118.364 0.028 . . . . . . 316 F N . 26823 2 180 . 1 1 54 54 SER H H 1 8.067 0.002 . . . . . . 317 S H . 26823 2 181 . 1 1 54 54 SER CA C 13 58.155 0.083 . . . . . . 317 S CA . 26823 2 182 . 1 1 54 54 SER CB C 13 63.993 0.069 . . . . . . 317 S CB . 26823 2 183 . 1 1 54 54 SER N N 15 116.798 0.014 . . . . . . 317 S N . 26823 2 184 . 1 1 55 55 ILE H H 1 8.094 0.002 . . . . . . 318 I H . 26823 2 185 . 1 1 55 55 ILE CA C 13 60.843 0.101 . . . . . . 318 I CA . 26823 2 186 . 1 1 55 55 ILE CB C 13 38.856 0.062 . . . . . . 318 I CB . 26823 2 187 . 1 1 55 55 ILE N N 15 121.574 0.025 . . . . . . 318 I N . 26823 2 188 . 1 1 56 56 ASN H H 1 8.321 0.002 . . . . . . 319 N H . 26823 2 189 . 1 1 56 56 ASN CA C 13 52.680 0.000 . . . . . . 319 N CA . 26823 2 190 . 1 1 56 56 ASN N N 15 123.675 0.027 . . . . . . 319 N N . 26823 2 191 . 1 1 57 57 PRO CA C 13 64.698 0.041 . . . . . . 320 P CA . 26823 2 192 . 1 1 57 57 PRO CB C 13 31.977 0.000 . . . . . . 320 P CB . 26823 2 193 . 1 1 58 58 ALA H H 1 8.190 0.002 . . . . . . 321 A H . 26823 2 194 . 1 1 58 58 ALA CA C 13 53.917 0.058 . . . . . . 321 A CA . 26823 2 195 . 1 1 58 58 ALA CB C 13 18.338 0.008 . . . . . . 321 A CB . 26823 2 196 . 1 1 58 58 ALA N N 15 121.384 0.041 . . . . . . 321 A N . 26823 2 197 . 1 1 59 59 MET H H 1 8.025 0.002 . . . . . . 322 M H . 26823 2 198 . 1 1 59 59 MET CA C 13 56.611 0.021 . . . . . . 322 M CA . 26823 2 199 . 1 1 59 59 MET CB C 13 32.592 0.000 . . . . . . 322 M CB . 26823 2 200 . 1 1 59 59 MET N N 15 118.550 0.030 . . . . . . 322 M N . 26823 2 201 . 1 1 60 60 MET H H 1 8.053 0.003 . . . . . . 323 M H . 26823 2 202 . 1 1 60 60 MET CA C 13 56.966 0.009 . . . . . . 323 M CA . 26823 2 203 . 1 1 60 60 MET CB C 13 32.617 0.000 . . . . . . 323 M CB . 26823 2 204 . 1 1 60 60 MET N N 15 120.604 0.031 . . . . . . 323 M N . 26823 2 205 . 1 1 61 61 ALA H H 1 8.257 0.002 . . . . . . 324 A H . 26823 2 206 . 1 1 61 61 ALA CA C 13 53.932 0.044 . . . . . . 324 A CA . 26823 2 207 . 1 1 61 61 ALA CB C 13 18.306 0.006 . . . . . . 324 A CB . 26823 2 208 . 1 1 61 61 ALA N N 15 123.412 0.014 . . . . . . 324 A N . 26823 2 209 . 1 1 62 62 ALA H H 1 8.120 0.006 . . . . . . 325 A H . 26823 2 210 . 1 1 62 62 ALA CA C 13 53.969 0.013 . . . . . . 325 A CA . 26823 2 211 . 1 1 62 62 ALA CB C 13 18.323 0.009 . . . . . . 325 A CB . 26823 2 212 . 1 1 62 62 ALA N N 15 122.190 0.028 . . . . . . 325 A N . 26823 2 213 . 1 1 63 63 ALA H H 1 8.098 0.004 . . . . . . 326 A H . 26823 2 214 . 1 1 63 63 ALA CA C 13 53.956 0.018 . . . . . . 326 A CA . 26823 2 215 . 1 1 63 63 ALA CB C 13 18.639 0.163 . . . . . . 326 A CB . 26823 2 216 . 1 1 63 63 ALA N N 15 122.164 0.016 . . . . . . 326 A N . 26823 2 217 . 1 1 64 64 GLN H H 1 8.110 0.004 . . . . . . 327 Q H . 26823 2 218 . 1 1 64 64 GLN CA C 13 57.500 0.064 . . . . . . 327 Q CA . 26823 2 219 . 1 1 64 64 GLN CB C 13 28.630 0.046 . . . . . . 327 Q CB . 26823 2 220 . 1 1 64 64 GLN N N 15 118.325 0.018 . . . . . . 327 Q N . 26823 2 221 . 1 1 65 65 ALA H H 1 8.101 0.004 . . . . . . 328 A H . 26823 2 222 . 1 1 65 65 ALA CA C 13 53.895 0.020 . . . . . . 328 A CA . 26823 2 223 . 1 1 65 65 ALA CB C 13 18.300 0.022 . . . . . . 328 A CB . 26823 2 224 . 1 1 65 65 ALA N N 15 122.998 0.045 . . . . . . 328 A N . 26823 2 225 . 1 1 66 66 ALA H H 1 7.938 0.002 . . . . . . 329 A H . 26823 2 226 . 1 1 66 66 ALA HB1 H 1 1.403 0.000 . . . . . . 329 A HB . 26823 2 227 . 1 1 66 66 ALA HB2 H 1 1.403 0.000 . . . . . . 329 A HB . 26823 2 228 . 1 1 66 66 ALA HB3 H 1 1.403 0.000 . . . . . . 329 A HB . 26823 2 229 . 1 1 66 66 ALA CA C 13 53.544 0.153 . . . . . . 329 A CA . 26823 2 230 . 1 1 66 66 ALA CB C 13 18.501 0.016 . . . . . . 329 A CB . 26823 2 231 . 1 1 66 66 ALA N N 15 121.145 0.013 . . . . . . 329 A N . 26823 2 232 . 1 1 67 67 LEU H H 1 7.851 0.004 . . . . . . 330 L H . 26823 2 233 . 1 1 67 67 LEU CA C 13 56.201 0.024 . . . . . . 330 L CA . 26823 2 234 . 1 1 67 67 LEU CB C 13 42.035 0.007 . . . . . . 330 L CB . 26823 2 235 . 1 1 67 67 LEU N N 15 119.916 0.008 . . . . . . 330 L N . 26823 2 236 . 1 1 68 68 GLN H H 1 8.075 0.002 . . . . . . 331 Q H . 26823 2 237 . 1 1 68 68 GLN CA C 13 56.662 0.033 . . . . . . 331 Q CA . 26823 2 238 . 1 1 68 68 GLN CB C 13 28.752 0.017 . . . . . . 331 Q CB . 26823 2 239 . 1 1 68 68 GLN N N 15 119.089 0.023 . . . . . . 331 Q N . 26823 2 240 . 1 1 69 69 SER H H 1 8.155 0.002 . . . . . . 332 S H . 26823 2 241 . 1 1 69 69 SER CA C 13 58.859 0.308 . . . . . . 332 S CA . 26823 2 242 . 1 1 69 69 SER CB C 13 63.710 0.162 . . . . . . 332 S CB . 26823 2 243 . 1 1 69 69 SER N N 15 115.465 0.029 . . . . . . 332 S N . 26823 2 244 . 1 1 70 70 SER H H 1 8.151 0.002 . . . . . . 333 S H . 26823 2 245 . 1 1 70 70 SER CA C 13 59.150 0.059 . . . . . . 333 S CA . 26823 2 246 . 1 1 70 70 SER CB C 13 63.523 0.006 . . . . . . 333 S CB . 26823 2 247 . 1 1 70 70 SER N N 15 117.338 0.019 . . . . . . 333 S N . 26823 2 248 . 1 1 71 71 TRP H H 1 8.080 0.004 . . . . . . 334 W H . 26823 2 249 . 1 1 71 71 TRP CA C 13 58.002 0.021 . . . . . . 334 W CA . 26823 2 250 . 1 1 71 71 TRP CB C 13 29.403 0.048 . . . . . . 334 W CB . 26823 2 251 . 1 1 71 71 TRP N N 15 122.566 0.011 . . . . . . 334 W N . 26823 2 252 . 1 1 72 72 GLY H H 1 8.232 0.003 . . . . . . 335 G H . 26823 2 253 . 1 1 72 72 GLY CA C 13 45.693 0.074 . . . . . . 335 G CA . 26823 2 254 . 1 1 72 72 GLY N N 15 109.322 0.047 . . . . . . 335 G N . 26823 2 255 . 1 1 73 73 MET H H 1 8.105 0.002 . . . . . . 336 M H . 26823 2 256 . 1 1 73 73 MET CA C 13 56.070 0.090 . . . . . . 336 M CA . 26823 2 257 . 1 1 73 73 MET CB C 13 32.481 0.203 . . . . . . 336 M CB . 26823 2 258 . 1 1 73 73 MET N N 15 119.669 0.026 . . . . . . 336 M N . 26823 2 259 . 1 1 74 74 MET H H 1 8.335 0.003 . . . . . . 337 M H . 26823 2 260 . 1 1 74 74 MET CA C 13 56.209 0.025 . . . . . . 337 M CA . 26823 2 261 . 1 1 74 74 MET CB C 13 32.281 0.094 . . . . . . 337 M CB . 26823 2 262 . 1 1 74 74 MET N N 15 119.747 0.039 . . . . . . 337 M N . 26823 2 263 . 1 1 75 75 GLY H H 1 8.315 0.002 . . . . . . 338 G H . 26823 2 264 . 1 1 75 75 GLY CA C 13 45.655 0.028 . . . . . . 338 G CA . 26823 2 265 . 1 1 75 75 GLY N N 15 109.163 0.031 . . . . . . 338 G N . 26823 2 266 . 1 1 76 76 MET H H 1 8.103 0.001 . . . . . . 339 M H . 26823 2 267 . 1 1 76 76 MET CA C 13 56.093 0.077 . . . . . . 339 M CA . 26823 2 268 . 1 1 76 76 MET CB C 13 32.676 0.013 . . . . . . 339 M CB . 26823 2 269 . 1 1 76 76 MET N N 15 119.775 0.032 . . . . . . 339 M N . 26823 2 270 . 1 1 77 77 LEU H H 1 8.240 0.002 . . . . . . 340 L H . 26823 2 271 . 1 1 77 77 LEU CA C 13 55.518 0.088 . . . . . . 340 L CA . 26823 2 272 . 1 1 77 77 LEU CB C 13 42.139 0.049 . . . . . . 340 L CB . 26823 2 273 . 1 1 77 77 LEU N N 15 122.406 0.030 . . . . . . 340 L N . 26823 2 274 . 1 1 78 78 ALA H H 1 8.285 0.009 . . . . . . 341 A H . 26823 2 275 . 1 1 78 78 ALA HB1 H 1 1.365 0.000 . . . . . . 341 A HB . 26823 2 276 . 1 1 78 78 ALA HB2 H 1 1.365 0.000 . . . . . . 341 A HB . 26823 2 277 . 1 1 78 78 ALA HB3 H 1 1.365 0.000 . . . . . . 341 A HB . 26823 2 278 . 1 1 78 78 ALA CA C 13 53.248 0.071 . . . . . . 341 A CA . 26823 2 279 . 1 1 78 78 ALA CB C 13 18.859 0.014 . . . . . . 341 A CB . 26823 2 280 . 1 1 78 78 ALA N N 15 124.174 0.035 . . . . . . 341 A N . 26823 2 281 . 1 1 79 79 SER H H 1 8.153 0.001 . . . . . . 342 S H . 26823 2 282 . 1 1 79 79 SER CA C 13 58.839 0.039 . . . . . . 342 S CA . 26823 2 283 . 1 1 79 79 SER CB C 13 63.544 0.016 . . . . . . 342 S CB . 26823 2 284 . 1 1 79 79 SER N N 15 113.847 0.010 . . . . . . 342 S N . 26823 2 285 . 1 1 80 80 GLN H H 1 8.237 0.001 . . . . . . 343 Q H . 26823 2 286 . 1 1 80 80 GLN CA C 13 56.136 0.049 . . . . . . 343 Q CA . 26823 2 287 . 1 1 80 80 GLN CB C 13 29.224 0.003 . . . . . . 343 Q CB . 26823 2 288 . 1 1 80 80 GLN N N 15 121.477 0.018 . . . . . . 343 Q N . 26823 2 289 . 1 1 81 81 GLN H H 1 8.271 0.001 . . . . . . 344 Q H . 26823 2 290 . 1 1 81 81 GLN CA C 13 56.125 0.067 . . . . . . 344 Q CA . 26823 2 291 . 1 1 81 81 GLN CB C 13 29.290 0.041 . . . . . . 344 Q CB . 26823 2 292 . 1 1 81 81 GLN N N 15 120.359 0.009 . . . . . . 344 Q N . 26823 2 293 . 1 1 82 82 ASN H H 1 8.473 0.003 . . . . . . 345 N H . 26823 2 294 . 1 1 82 82 ASN CA C 13 53.467 0.038 . . . . . . 345 N CA . 26823 2 295 . 1 1 82 82 ASN CB C 13 38.723 0.041 . . . . . . 345 N CB . 26823 2 296 . 1 1 82 82 ASN N N 15 119.328 0.022 . . . . . . 345 N N . 26823 2 297 . 1 1 83 83 GLN H H 1 8.433 0.002 . . . . . . 346 Q H . 26823 2 298 . 1 1 83 83 GLN CA C 13 56.009 0.063 . . . . . . 346 Q CA . 26823 2 299 . 1 1 83 83 GLN CB C 13 29.354 0.036 . . . . . . 346 Q CB . 26823 2 300 . 1 1 83 83 GLN N N 15 120.760 0.014 . . . . . . 346 Q N . 26823 2 301 . 1 1 84 84 SER H H 1 8.415 0.001 . . . . . . 347 S H . 26823 2 302 . 1 1 84 84 SER CA C 13 58.501 0.079 . . . . . . 347 S CA . 26823 2 303 . 1 1 84 84 SER CB C 13 64.030 0.038 . . . . . . 347 S CB . 26823 2 304 . 1 1 84 84 SER N N 15 116.749 0.007 . . . . . . 347 S N . 26823 2 305 . 1 1 85 85 GLY H H 1 8.260 0.002 . . . . . . 348 G H . 26823 2 306 . 1 1 85 85 GLY CA C 13 44.716 0.000 . . . . . . 348 G CA . 26823 2 307 . 1 1 85 85 GLY N N 15 110.554 0.020 . . . . . . 348 G N . 26823 2 308 . 1 1 86 86 PRO CA C 13 63.381 0.000 . . . . . . 349 P CA . 26823 2 309 . 1 1 86 86 PRO CB C 13 32.060 0.027 . . . . . . 349 P CB . 26823 2 310 . 1 1 87 87 SER H H 1 8.546 0.001 . . . . . . 350 S H . 26823 2 311 . 1 1 87 87 SER CA C 13 58.607 0.084 . . . . . . 350 S CA . 26823 2 312 . 1 1 87 87 SER CB C 13 63.893 0.075 . . . . . . 350 S CB . 26823 2 313 . 1 1 87 87 SER N N 15 116.032 0.005 . . . . . . 350 S N . 26823 2 314 . 1 1 88 88 GLY H H 1 8.393 0.003 . . . . . . 351 G H . 26823 2 315 . 1 1 88 88 GLY CA C 13 45.357 0.050 . . . . . . 351 G CA . 26823 2 316 . 1 1 88 88 GLY N N 15 110.499 0.009 . . . . . . 351 G N . 26823 2 317 . 1 1 89 89 ASN H H 1 8.353 0.001 . . . . . . 352 N H . 26823 2 318 . 1 1 89 89 ASN CA C 13 53.160 0.046 . . . . . . 352 N CA . 26823 2 319 . 1 1 89 89 ASN CB C 13 38.768 0.022 . . . . . . 352 N CB . 26823 2 320 . 1 1 89 89 ASN N N 15 118.548 0.019 . . . . . . 352 N N . 26823 2 321 . 1 1 90 90 ASN H H 1 8.512 0.002 . . . . . . 353 N H . 26823 2 322 . 1 1 90 90 ASN CA C 13 53.506 0.000 . . . . . . 353 N CA . 26823 2 323 . 1 1 90 90 ASN CB C 13 38.620 0.000 . . . . . . 353 N CB . 26823 2 324 . 1 1 90 90 ASN N N 15 119.164 0.014 . . . . . . 353 N N . 26823 2 325 . 1 1 91 91 GLN H H 1 8.438 0.002 . . . . . . 354 Q H . 26823 2 326 . 1 1 91 91 GLN CA C 13 56.250 0.039 . . . . . . 354 Q CA . 26823 2 327 . 1 1 91 91 GLN CB C 13 29.084 0.009 . . . . . . 354 Q CB . 26823 2 328 . 1 1 91 91 GLN N N 15 120.087 0.004 . . . . . . 354 Q N . 26823 2 329 . 1 1 92 92 ASN H H 1 8.504 0.001 . . . . . . 355 N H . 26823 2 330 . 1 1 92 92 ASN CA C 13 53.485 0.000 . . . . . . 355 N CA . 26823 2 331 . 1 1 92 92 ASN CB C 13 38.638 0.000 . . . . . . 355 N CB . 26823 2 332 . 1 1 92 92 ASN N N 15 119.088 0.013 . . . . . . 355 N N . 26823 2 333 . 1 1 93 93 GLN H H 1 8.431 0.004 . . . . . . 356 Q H . 26823 2 334 . 1 1 93 93 GLN CA C 13 56.300 0.041 . . . . . . 356 Q CA . 26823 2 335 . 1 1 93 93 GLN CB C 13 29.203 0.010 . . . . . . 356 Q CB . 26823 2 336 . 1 1 93 93 GLN N N 15 120.098 0.002 . . . . . . 356 Q N . 26823 2 337 . 1 1 94 94 GLY H H 1 8.482 0.002 . . . . . . 357 G H . 26823 2 338 . 1 1 94 94 GLY CA C 13 45.388 0.062 . . . . . . 357 G CA . 26823 2 339 . 1 1 94 94 GLY N N 15 109.393 0.026 . . . . . . 357 G N . 26823 2 340 . 1 1 95 95 ASN H H 1 8.348 0.006 . . . . . . 358 N H . 26823 2 341 . 1 1 95 95 ASN CA C 13 53.227 0.027 . . . . . . 358 N CA . 26823 2 342 . 1 1 95 95 ASN CB C 13 38.710 0.070 . . . . . . 358 N CB . 26823 2 343 . 1 1 95 95 ASN N N 15 118.601 0.051 . . . . . . 358 N N . 26823 2 344 . 1 1 96 96 MET H H 1 8.357 0.002 . . . . . . 359 M H . 26823 2 345 . 1 1 96 96 MET CA C 13 55.618 0.050 . . . . . . 359 M CA . 26823 2 346 . 1 1 96 96 MET CB C 13 32.530 0.067 . . . . . . 359 M CB . 26823 2 347 . 1 1 96 96 MET N N 15 120.485 0.006 . . . . . . 359 M N . 26823 2 348 . 1 1 97 97 GLN H H 1 8.404 0.002 . . . . . . 360 Q H . 26823 2 349 . 1 1 97 97 GLN CA C 13 55.852 0.047 . . . . . . 360 Q CA . 26823 2 350 . 1 1 97 97 GLN CB C 13 29.225 0.031 . . . . . . 360 Q CB . 26823 2 351 . 1 1 97 97 GLN N N 15 121.334 0.023 . . . . . . 360 Q N . 26823 2 352 . 1 1 98 98 ARG H H 1 8.377 0.001 . . . . . . 361 R H . 26823 2 353 . 1 1 98 98 ARG CA C 13 55.929 0.098 . . . . . . 361 R CA . 26823 2 354 . 1 1 98 98 ARG CB C 13 31.041 0.032 . . . . . . 361 R CB . 26823 2 355 . 1 1 98 98 ARG N N 15 122.555 0.023 . . . . . . 361 R N . 26823 2 356 . 1 1 99 99 GLU H H 1 8.504 0.001 . . . . . . 362 E H . 26823 2 357 . 1 1 99 99 GLU CA C 13 54.398 0.000 . . . . . . 362 E CA . 26823 2 358 . 1 1 99 99 GLU CB C 13 29.513 0.000 . . . . . . 362 E CB . 26823 2 359 . 1 1 99 99 GLU N N 15 123.370 0.022 . . . . . . 362 E N . 26823 2 360 . 1 1 100 100 PRO CA C 13 63.498 0.099 . . . . . . 363 P CA . 26823 2 361 . 1 1 100 100 PRO CB C 13 32.047 0.001 . . . . . . 363 P CB . 26823 2 362 . 1 1 101 101 ASN H H 1 8.579 0.001 . . . . . . 364 N H . 26823 2 363 . 1 1 101 101 ASN CA C 13 53.438 0.080 . . . . . . 364 N CA . 26823 2 364 . 1 1 101 101 ASN CB C 13 38.556 0.076 . . . . . . 364 N CB . 26823 2 365 . 1 1 101 101 ASN N N 15 118.040 0.010 . . . . . . 364 N N . 26823 2 366 . 1 1 102 102 GLN H H 1 8.293 0.002 . . . . . . 365 Q H . 26823 2 367 . 1 1 102 102 GLN CA C 13 55.877 0.090 . . . . . . 365 Q CA . 26823 2 368 . 1 1 102 102 GLN CB C 13 29.421 0.024 . . . . . . 365 Q CB . 26823 2 369 . 1 1 102 102 GLN N N 15 120.787 0.026 . . . . . . 365 Q N . 26823 2 370 . 1 1 103 103 ALA H H 1 8.317 0.001 . . . . . . 366 A H . 26823 2 371 . 1 1 103 103 ALA CA C 13 52.542 0.025 . . . . . . 366 A CA . 26823 2 372 . 1 1 103 103 ALA CB C 13 19.053 0.040 . . . . . . 366 A CB . 26823 2 373 . 1 1 103 103 ALA N N 15 124.967 0.018 . . . . . . 366 A N . 26823 2 374 . 1 1 104 104 PHE H H 1 8.256 0.001 . . . . . . 367 F H . 26823 2 375 . 1 1 104 104 PHE CA C 13 57.824 0.093 . . . . . . 367 F CA . 26823 2 376 . 1 1 104 104 PHE CB C 13 39.432 0.046 . . . . . . 367 F CB . 26823 2 377 . 1 1 104 104 PHE N N 15 119.583 0.009 . . . . . . 367 F N . 26823 2 378 . 1 1 105 105 GLY H H 1 8.330 0.003 . . . . . . 368 G H . 26823 2 379 . 1 1 105 105 GLY CA C 13 45.259 0.013 . . . . . . 368 G CA . 26823 2 380 . 1 1 105 105 GLY N N 15 110.900 0.014 . . . . . . 368 G N . 26823 2 381 . 1 1 106 106 SER H H 1 8.284 0.001 . . . . . . 369 S H . 26823 2 382 . 1 1 106 106 SER CA C 13 58.602 0.092 . . . . . . 369 S CA . 26823 2 383 . 1 1 106 106 SER CB C 13 63.929 0.026 . . . . . . 369 S CB . 26823 2 384 . 1 1 106 106 SER N N 15 115.626 0.005 . . . . . . 369 S N . 26823 2 385 . 1 1 107 107 GLY H H 1 8.543 0.001 . . . . . . 370 G H . 26823 2 386 . 1 1 107 107 GLY CA C 13 45.399 0.036 . . . . . . 370 G CA . 26823 2 387 . 1 1 107 107 GLY N N 15 110.767 0.000 . . . . . . 370 G N . 26823 2 388 . 1 1 108 108 ASN H H 1 8.329 0.002 . . . . . . 371 N H . 26823 2 389 . 1 1 108 108 ASN CA C 13 53.172 0.046 . . . . . . 371 N CA . 26823 2 390 . 1 1 108 108 ASN CB C 13 38.702 0.026 . . . . . . 371 N CB . 26823 2 391 . 1 1 108 108 ASN N N 15 118.516 0.001 . . . . . . 371 N N . 26823 2 392 . 1 1 109 109 ASN H H 1 8.481 0.002 . . . . . . 372 N H . 26823 2 393 . 1 1 109 109 ASN CA C 13 53.320 0.071 . . . . . . 372 N CA . 26823 2 394 . 1 1 109 109 ASN CB C 13 38.784 0.033 . . . . . . 372 N CB . 26823 2 395 . 1 1 109 109 ASN N N 15 119.354 0.004 . . . . . . 372 N N . 26823 2 396 . 1 1 110 110 SER H H 1 8.261 0.001 . . . . . . 373 S H . 26823 2 397 . 1 1 110 110 SER CA C 13 58.615 0.038 . . . . . . 373 S CA . 26823 2 398 . 1 1 110 110 SER CB C 13 63.748 0.038 . . . . . . 373 S CB . 26823 2 399 . 1 1 110 110 SER N N 15 115.803 0.013 . . . . . . 373 S N . 26823 2 400 . 1 1 111 111 TYR H H 1 8.261 0.001 . . . . . . 374 Y H . 26823 2 401 . 1 1 111 111 TYR CA C 13 58.049 0.085 . . . . . . 374 Y CA . 26823 2 402 . 1 1 111 111 TYR CB C 13 38.595 0.014 . . . . . . 374 Y CB . 26823 2 403 . 1 1 111 111 TYR N N 15 122.121 0.017 . . . . . . 374 Y N . 26823 2 404 . 1 1 112 112 SER H H 1 8.283 0.001 . . . . . . 375 S H . 26823 2 405 . 1 1 112 112 SER CA C 13 58.307 0.091 . . . . . . 375 S CA . 26823 2 406 . 1 1 112 112 SER CB C 13 63.875 0.019 . . . . . . 375 S CB . 26823 2 407 . 1 1 112 112 SER N N 15 118.053 0.010 . . . . . . 375 S N . 26823 2 408 . 1 1 113 113 GLY H H 1 7.894 0.001 . . . . . . 376 G H . 26823 2 409 . 1 1 113 113 GLY CA C 13 45.324 0.021 . . . . . . 376 G CA . 26823 2 410 . 1 1 113 113 GLY N N 15 110.480 0.012 . . . . . . 376 G N . 26823 2 411 . 1 1 114 114 SER H H 1 8.254 0.002 . . . . . . 377 S H . 26823 2 412 . 1 1 114 114 SER CA C 13 58.497 0.060 . . . . . . 377 S CA . 26823 2 413 . 1 1 114 114 SER CB C 13 63.862 0.034 . . . . . . 377 S CB . 26823 2 414 . 1 1 114 114 SER N N 15 115.377 0.002 . . . . . . 377 S N . 26823 2 415 . 1 1 115 115 ASN H H 1 8.559 0.002 . . . . . . 378 N H . 26823 2 416 . 1 1 115 115 ASN CA C 13 53.247 0.077 . . . . . . 378 N CA . 26823 2 417 . 1 1 115 115 ASN CB C 13 38.671 0.028 . . . . . . 378 N CB . 26823 2 418 . 1 1 115 115 ASN N N 15 120.864 0.023 . . . . . . 378 N N . 26823 2 419 . 1 1 116 116 SER H H 1 8.336 0.001 . . . . . . 379 S H . 26823 2 420 . 1 1 116 116 SER CA C 13 58.856 0.056 . . . . . . 379 S CA . 26823 2 421 . 1 1 116 116 SER CB C 13 63.741 0.009 . . . . . . 379 S CB . 26823 2 422 . 1 1 116 116 SER N N 15 116.171 0.014 . . . . . . 379 S N . 26823 2 423 . 1 1 117 117 GLY H H 1 8.437 0.002 . . . . . . 380 G H . 26823 2 424 . 1 1 117 117 GLY CA C 13 45.284 0.017 . . . . . . 380 G CA . 26823 2 425 . 1 1 117 117 GLY N N 15 110.859 0.007 . . . . . . 380 G N . 26823 2 426 . 1 1 118 118 ALA H H 1 8.028 0.000 . . . . . . 381 A H . 26823 2 427 . 1 1 118 118 ALA CA C 13 52.406 0.037 . . . . . . 381 A CA . 26823 2 428 . 1 1 118 118 ALA CB C 13 19.273 0.036 . . . . . . 381 A CB . 26823 2 429 . 1 1 118 118 ALA N N 15 123.569 0.006 . . . . . . 381 A N . 26823 2 430 . 1 1 119 119 ALA H H 1 8.217 0.001 . . . . . . 382 A H . 26823 2 431 . 1 1 119 119 ALA CA C 13 52.410 0.045 . . . . . . 382 A CA . 26823 2 432 . 1 1 119 119 ALA CB C 13 18.982 0.056 . . . . . . 382 A CB . 26823 2 433 . 1 1 119 119 ALA N N 15 123.170 0.006 . . . . . . 382 A N . 26823 2 434 . 1 1 120 120 ILE H H 1 8.062 0.001 . . . . . . 383 I H . 26823 2 435 . 1 1 120 120 ILE CA C 13 61.338 0.058 . . . . . . 383 I CA . 26823 2 436 . 1 1 120 120 ILE CB C 13 38.641 0.054 . . . . . . 383 I CB . 26823 2 437 . 1 1 120 120 ILE N N 15 119.801 0.008 . . . . . . 383 I N . 26823 2 438 . 1 1 121 121 GLY H H 1 8.365 0.003 . . . . . . 384 G H . 26823 2 439 . 1 1 121 121 GLY CA C 13 45.157 0.014 . . . . . . 384 G CA . 26823 2 440 . 1 1 121 121 GLY N N 15 112.521 0.009 . . . . . . 384 G N . 26823 2 441 . 1 1 122 122 TRP H H 1 8.120 0.001 . . . . . . 385 W H . 26823 2 442 . 1 1 122 122 TRP CA C 13 57.672 0.054 . . . . . . 385 W CA . 26823 2 443 . 1 1 122 122 TRP CB C 13 29.584 0.015 . . . . . . 385 W CB . 26823 2 444 . 1 1 122 122 TRP N N 15 121.334 0.010 . . . . . . 385 W N . 26823 2 445 . 1 1 123 123 GLY H H 1 8.339 0.002 . . . . . . 386 G H . 26823 2 446 . 1 1 123 123 GLY CA C 13 45.328 0.009 . . . . . . 386 G CA . 26823 2 447 . 1 1 123 123 GLY N N 15 110.915 0.019 . . . . . . 386 G N . 26823 2 448 . 1 1 124 124 SER H H 1 8.154 0.001 . . . . . . 387 S H . 26823 2 449 . 1 1 124 124 SER CA C 13 58.441 0.092 . . . . . . 387 S CA . 26823 2 450 . 1 1 124 124 SER CB C 13 63.932 0.014 . . . . . . 387 S CB . 26823 2 451 . 1 1 124 124 SER N N 15 115.700 0.012 . . . . . . 387 S N . 26823 2 452 . 1 1 125 125 ALA H H 1 8.445 0.001 . . . . . . 388 A H . 26823 2 453 . 1 1 125 125 ALA CA C 13 52.740 0.019 . . . . . . 388 A CA . 26823 2 454 . 1 1 125 125 ALA CB C 13 19.067 0.020 . . . . . . 388 A CB . 26823 2 455 . 1 1 125 125 ALA N N 15 125.794 0.011 . . . . . . 388 A N . 26823 2 456 . 1 1 126 126 SER H H 1 8.265 0.000 . . . . . . 389 S H . 26823 2 457 . 1 1 126 126 SER CA C 13 58.581 0.102 . . . . . . 389 S CA . 26823 2 458 . 1 1 126 126 SER CB C 13 63.742 0.063 . . . . . . 389 S CB . 26823 2 459 . 1 1 126 126 SER N N 15 114.570 0.010 . . . . . . 389 S N . 26823 2 460 . 1 1 127 127 ASN H H 1 8.361 0.002 . . . . . . 390 N H . 26823 2 461 . 1 1 127 127 ASN CA C 13 53.127 0.067 . . . . . . 390 N CA . 26823 2 462 . 1 1 127 127 ASN CB C 13 38.741 0.008 . . . . . . 390 N CB . 26823 2 463 . 1 1 127 127 ASN N N 15 120.607 0.016 . . . . . . 390 N N . 26823 2 464 . 1 1 128 128 ALA H H 1 8.261 0.001 . . . . . . 391 A H . 26823 2 465 . 1 1 128 128 ALA CA C 13 52.977 0.049 . . . . . . 391 A CA . 26823 2 466 . 1 1 128 128 ALA CB C 13 19.041 0.018 . . . . . . 391 A CB . 26823 2 467 . 1 1 128 128 ALA N N 15 124.110 0.011 . . . . . . 391 A N . 26823 2 468 . 1 1 129 129 GLY H H 1 8.365 0.001 . . . . . . 392 G H . 26823 2 469 . 1 1 129 129 GLY CA C 13 45.295 0.022 . . . . . . 392 G CA . 26823 2 470 . 1 1 129 129 GLY N N 15 107.975 0.006 . . . . . . 392 G N . 26823 2 471 . 1 1 130 130 SER H H 1 8.255 0.002 . . . . . . 393 S H . 26823 2 472 . 1 1 130 130 SER CA C 13 58.578 0.071 . . . . . . 393 S CA . 26823 2 473 . 1 1 130 130 SER CB C 13 63.907 0.031 . . . . . . 393 S CB . 26823 2 474 . 1 1 130 130 SER N N 15 115.505 0.014 . . . . . . 393 S N . 26823 2 475 . 1 1 131 131 GLY H H 1 8.540 0.001 . . . . . . 394 G H . 26823 2 476 . 1 1 131 131 GLY CA C 13 45.359 0.022 . . . . . . 394 G CA . 26823 2 477 . 1 1 131 131 GLY N N 15 111.055 0.000 . . . . . . 394 G N . 26823 2 478 . 1 1 132 132 SER H H 1 8.306 0.001 . . . . . . 395 S H . 26823 2 479 . 1 1 132 132 SER CA C 13 58.629 0.112 . . . . . . 395 S CA . 26823 2 480 . 1 1 132 132 SER CB C 13 63.925 0.026 . . . . . . 395 S CB . 26823 2 481 . 1 1 132 132 SER N N 15 115.654 0.004 . . . . . . 395 S N . 26823 2 482 . 1 1 133 133 GLY H H 1 8.461 0.001 . . . . . . 396 G H . 26823 2 483 . 1 1 133 133 GLY CA C 13 45.158 0.060 . . . . . . 396 G CA . 26823 2 484 . 1 1 133 133 GLY N N 15 110.627 0.024 . . . . . . 396 G N . 26823 2 485 . 1 1 134 134 PHE H H 1 8.188 0.001 . . . . . . 397 F H . 26823 2 486 . 1 1 134 134 PHE CA C 13 57.993 0.037 . . . . . . 397 F CA . 26823 2 487 . 1 1 134 134 PHE CB C 13 39.514 0.011 . . . . . . 397 F CB . 26823 2 488 . 1 1 134 134 PHE N N 15 120.357 0.019 . . . . . . 397 F N . 26823 2 489 . 1 1 135 135 ASN H H 1 8.510 0.001 . . . . . . 398 N H . 26823 2 490 . 1 1 135 135 ASN CA C 13 52.989 0.061 . . . . . . 398 N CA . 26823 2 491 . 1 1 135 135 ASN CB C 13 38.716 0.040 . . . . . . 398 N CB . 26823 2 492 . 1 1 135 135 ASN N N 15 121.697 0.006 . . . . . . 398 N N . 26823 2 493 . 1 1 136 136 GLY H H 1 7.845 0.001 . . . . . . 399 G H . 26823 2 494 . 1 1 136 136 GLY CA C 13 45.460 0.109 . . . . . . 399 G CA . 26823 2 495 . 1 1 136 136 GLY N N 15 108.512 0.024 . . . . . . 399 G N . 26823 2 496 . 1 1 137 137 GLY H H 1 8.173 0.001 . . . . . . 400 G H . 26823 2 497 . 1 1 137 137 GLY CA C 13 45.019 0.085 . . . . . . 400 G CA . 26823 2 498 . 1 1 137 137 GLY N N 15 108.362 0.012 . . . . . . 400 G N . 26823 2 499 . 1 1 138 138 PHE H H 1 8.199 0.002 . . . . . . 401 F H . 26823 2 500 . 1 1 138 138 PHE CA C 13 58.095 0.022 . . . . . . 401 F CA . 26823 2 501 . 1 1 138 138 PHE CB C 13 39.508 0.026 . . . . . . 401 F CB . 26823 2 502 . 1 1 138 138 PHE N N 15 120.016 0.007 . . . . . . 401 F N . 26823 2 503 . 1 1 139 139 GLY H H 1 8.457 0.001 . . . . . . 402 G H . 26823 2 504 . 1 1 139 139 GLY CA C 13 45.273 0.004 . . . . . . 402 G CA . 26823 2 505 . 1 1 139 139 GLY N N 15 110.928 0.022 . . . . . . 402 G N . 26823 2 506 . 1 1 140 140 SER H H 1 8.249 0.001 . . . . . . 403 S H . 26823 2 507 . 1 1 140 140 SER CA C 13 58.400 0.150 . . . . . . 403 S CA . 26823 2 508 . 1 1 140 140 SER CB C 13 64.020 0.070 . . . . . . 403 S CB . 26823 2 509 . 1 1 140 140 SER N N 15 115.600 0.027 . . . . . . 403 S N . 26823 2 510 . 1 1 141 141 SER H H 1 8.488 0.000 . . . . . . 404 S H . 26823 2 511 . 1 1 141 141 SER CA C 13 58.660 0.039 . . . . . . 404 S CA . 26823 2 512 . 1 1 141 141 SER CB C 13 63.700 0.055 . . . . . . 404 S CB . 26823 2 513 . 1 1 141 141 SER N N 15 117.762 0.004 . . . . . . 404 S N . 26823 2 514 . 1 1 142 142 MET H H 1 8.424 0.002 . . . . . . 405 M H . 26823 2 515 . 1 1 142 142 MET CA C 13 55.745 0.086 . . . . . . 405 M CA . 26823 2 516 . 1 1 142 142 MET CB C 13 32.513 0.064 . . . . . . 405 M CB . 26823 2 517 . 1 1 142 142 MET N N 15 121.820 0.010 . . . . . . 405 M N . 26823 2 518 . 1 1 143 143 ASP H H 1 8.252 0.001 . . . . . . 406 D H . 26823 2 519 . 1 1 143 143 ASP CA C 13 54.349 0.073 . . . . . . 406 D CA . 26823 2 520 . 1 1 143 143 ASP CB C 13 41.152 0.037 . . . . . . 406 D CB . 26823 2 521 . 1 1 143 143 ASP N N 15 121.065 0.006 . . . . . . 406 D N . 26823 2 522 . 1 1 144 144 SER H H 1 8.278 0.001 . . . . . . 407 S H . 26823 2 523 . 1 1 144 144 SER CA C 13 58.956 0.045 . . . . . . 407 S CA . 26823 2 524 . 1 1 144 144 SER CB C 13 63.513 0.022 . . . . . . 407 S CB . 26823 2 525 . 1 1 144 144 SER N N 15 116.766 0.008 . . . . . . 407 S N . 26823 2 526 . 1 1 145 145 LYS H H 1 8.348 0.001 . . . . . . 408 K H . 26823 2 527 . 1 1 145 145 LYS CA C 13 56.563 0.028 . . . . . . 408 K CA . 26823 2 528 . 1 1 145 145 LYS CB C 13 32.564 0.023 . . . . . . 408 K CB . 26823 2 529 . 1 1 145 145 LYS N N 15 122.611 0.025 . . . . . . 408 K N . 26823 2 530 . 1 1 146 146 SER H H 1 8.235 0.001 . . . . . . 409 S H . 26823 2 531 . 1 1 146 146 SER CA C 13 58.526 0.064 . . . . . . 409 S CA . 26823 2 532 . 1 1 146 146 SER CB C 13 63.796 0.029 . . . . . . 409 S CB . 26823 2 533 . 1 1 146 146 SER N N 15 116.248 0.014 . . . . . . 409 S N . 26823 2 534 . 1 1 147 147 SER H H 1 8.348 0.001 . . . . . . 410 S H . 26823 2 535 . 1 1 147 147 SER CA C 13 58.789 0.032 . . . . . . 410 S CA . 26823 2 536 . 1 1 147 147 SER CB C 13 63.742 0.023 . . . . . . 410 S CB . 26823 2 537 . 1 1 147 147 SER N N 15 117.674 0.004 . . . . . . 410 S N . 26823 2 538 . 1 1 148 148 GLY H H 1 8.351 0.002 . . . . . . 411 G H . 26823 2 539 . 1 1 148 148 GLY CA C 13 45.268 0.020 . . . . . . 411 G CA . 26823 2 540 . 1 1 148 148 GLY N N 15 110.412 0.015 . . . . . . 411 G N . 26823 2 541 . 1 1 149 149 TRP H H 1 8.065 0.001 . . . . . . 412 W H . 26823 2 542 . 1 1 149 149 TRP CA C 13 57.714 0.040 . . . . . . 412 W CA . 26823 2 543 . 1 1 149 149 TRP CB C 13 29.470 0.005 . . . . . . 412 W CB . 26823 2 544 . 1 1 149 149 TRP N N 15 121.047 0.011 . . . . . . 412 W N . 26823 2 545 . 1 1 150 150 GLY H H 1 8.305 0.001 . . . . . . 413 G H . 26823 2 546 . 1 1 150 150 GLY CA C 13 45.436 0.020 . . . . . . 413 G CA . 26823 2 547 . 1 1 150 150 GLY N N 15 111.722 0.020 . . . . . . 413 G N . 26823 2 548 . 1 1 151 151 MET H H 1 7.696 0.003 . . . . . . 414 M H . 26823 2 549 . 1 1 151 151 MET CA C 13 56.779 0.000 . . . . . . 414 M CA . 26823 2 550 . 1 1 151 151 MET CB C 13 33.554 0.000 . . . . . . 414 M CB . 26823 2 551 . 1 1 151 151 MET N N 15 124.542 0.007 . . . . . . 414 M N . 26823 2 stop_ save_