################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27145 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 27145 1 2 '3D CBCA(CO)NH' . . . 27145 1 3 '3D HNCA' . . . 27145 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 3 3 GLN CA C 13 56.312 0.018 . 1 . . . . 262 Q CA . 27145 1 2 . 1 1 3 3 GLN CB C 13 28.735 0.000 . 1 . . . . 262 Q CB . 27145 1 3 . 1 1 4 4 VAL H H 1 7.909 0.001 . 1 . . . . 263 V H . 27145 1 4 . 1 1 4 4 VAL CA C 13 63.541 0.008 . 1 . . . . 263 V CA . 27145 1 5 . 1 1 4 4 VAL CB C 13 31.374 0.000 . 1 . . . . 263 V CB . 27145 1 6 . 1 1 4 4 VAL N N 15 118.369 0.028 . 1 . . . . 263 V N . 27145 1 7 . 1 1 5 5 GLU H H 1 8.648 0.001 . 1 . . . . 264 E H . 27145 1 8 . 1 1 5 5 GLU CA C 13 58.335 0.000 . 1 . . . . 264 E CA . 27145 1 9 . 1 1 5 5 GLU N N 15 121.760 0.024 . 1 . . . . 264 E N . 27145 1 10 . 1 1 9 9 SER CA C 13 56.177 0.078 . 1 . . . . 268 S CA . 27145 1 11 . 1 1 9 9 SER CB C 13 64.701 0.000 . 1 . . . . 268 S CB . 27145 1 12 . 1 1 10 10 TRP H H 1 9.245 0.002 . 1 . . . . 269 W H . 27145 1 13 . 1 1 10 10 TRP CA C 13 53.874 0.026 . 1 . . . . 269 W CA . 27145 1 14 . 1 1 10 10 TRP CB C 13 31.119 0.000 . 1 . . . . 269 W CB . 27145 1 15 . 1 1 10 10 TRP N N 15 125.451 0.040 . 1 . . . . 269 W N . 27145 1 16 . 1 1 11 11 GLU H H 1 8.294 0.001 . 1 . . . . 270 E H . 27145 1 17 . 1 1 11 11 GLU CA C 13 59.859 0.000 . 1 . . . . 270 E CA . 27145 1 18 . 1 1 11 11 GLU N N 15 120.299 0.025 . 1 . . . . 270 E N . 27145 1 19 . 1 1 12 12 ASP CA C 13 54.356 0.000 . 1 . . . . 271 D CA . 27145 1 20 . 1 1 13 13 LEU H H 1 7.534 0.002 . 1 . . . . 272 L H . 27145 1 21 . 1 1 13 13 LEU CA C 13 55.260 0.003 . 1 . . . . 272 L CA . 27145 1 22 . 1 1 13 13 LEU CB C 13 44.530 0.000 . 1 . . . . 272 L CB . 27145 1 23 . 1 1 13 13 LEU N N 15 117.501 0.033 . 1 . . . . 272 L N . 27145 1 24 . 1 1 14 14 VAL H H 1 7.137 0.001 . 1 . . . . 273 V H . 27145 1 25 . 1 1 14 14 VAL CA C 13 62.911 0.022 . 1 . . . . 273 V CA . 27145 1 26 . 1 1 14 14 VAL CB C 13 34.223 0.000 . 1 . . . . 273 V CB . 27145 1 27 . 1 1 14 14 VAL N N 15 121.435 0.022 . 1 . . . . 273 V N . 27145 1 28 . 1 1 15 15 SER H H 1 9.340 0.004 . 1 . . . . 274 S H . 27145 1 29 . 1 1 15 15 SER CA C 13 59.336 0.035 . 1 . . . . 274 S CA . 27145 1 30 . 1 1 15 15 SER N N 15 121.938 0.021 . 1 . . . . 274 S N . 27145 1 31 . 1 1 16 16 SER H H 1 7.891 0.002 . 1 . . . . 275 S H . 27145 1 32 . 1 1 16 16 SER CA C 13 57.121 0.012 . 1 . . . . 275 S CA . 27145 1 33 . 1 1 16 16 SER CB C 13 64.026 0.157 . 1 . . . . 275 S CB . 27145 1 34 . 1 1 16 16 SER N N 15 111.429 0.041 . 1 . . . . 275 S N . 27145 1 35 . 1 1 17 17 ILE H H 1 8.126 0.001 . 1 . . . . 276 I H . 27145 1 36 . 1 1 17 17 ILE CA C 13 59.388 0.022 . 1 . . . . 276 I CA . 27145 1 37 . 1 1 17 17 ILE CB C 13 35.440 0.000 . 1 . . . . 276 I CB . 27145 1 38 . 1 1 17 17 ILE N N 15 121.559 0.026 . 1 . . . . 276 I N . 27145 1 39 . 1 1 18 18 ASP H H 1 8.969 0.001 . 1 . . . . 277 D H . 27145 1 40 . 1 1 18 18 ASP CA C 13 56.836 0.067 . 1 . . . . 277 D CA . 27145 1 41 . 1 1 18 18 ASP CB C 13 43.021 0.000 . 1 . . . . 277 D CB . 27145 1 42 . 1 1 18 18 ASP N N 15 125.981 0.018 . 1 . . . . 277 D N . 27145 1 43 . 1 1 19 19 THR H H 1 7.542 0.002 . 1 . . . . 278 T H . 27145 1 44 . 1 1 19 19 THR CA C 13 60.906 0.081 . 1 . . . . 278 T CA . 27145 1 45 . 1 1 19 19 THR CB C 13 71.095 0.000 . 1 . . . . 278 T CB . 27145 1 46 . 1 1 19 19 THR N N 15 110.358 0.044 . 1 . . . . 278 T N . 27145 1 47 . 1 1 20 20 ILE H H 1 8.156 0.001 . 1 . . . . 279 I H . 27145 1 48 . 1 1 20 20 ILE CA C 13 60.140 0.022 . 1 . . . . 279 I CA . 27145 1 49 . 1 1 20 20 ILE CB C 13 41.013 0.000 . 1 . . . . 279 I CB . 27145 1 50 . 1 1 20 20 ILE N N 15 120.382 0.028 . 1 . . . . 279 I N . 27145 1 51 . 1 1 21 21 GLU H H 1 9.270 0.002 . 1 . . . . 280 E H . 27145 1 52 . 1 1 21 21 GLU CA C 13 54.375 0.070 . 1 . . . . 280 E CA . 27145 1 53 . 1 1 21 21 GLU CB C 13 34.021 0.000 . 1 . . . . 280 E CB . 27145 1 54 . 1 1 21 21 GLU N N 15 110.965 34.41 . 1 . . . . 280 E N . 27145 1 55 . 1 1 22 22 ARG H H 1 8.671 0.001 . 1 . . . . 281 R H . 27145 1 56 . 1 1 22 22 ARG CA C 13 55.214 0.127 . 1 . . . . 281 R CA . 27145 1 57 . 1 1 22 22 ARG CB C 13 30.137 0.000 . 1 . . . . 281 R CB . 27145 1 58 . 1 1 22 22 ARG N N 15 125.483 0.031 . 1 . . . . 281 R N . 27145 1 59 . 1 1 23 23 LYS H H 1 8.940 0.002 . 1 . . . . 282 K H . 27145 1 60 . 1 1 23 23 LYS CA C 13 54.043 0.000 . 1 . . . . 282 K CA . 27145 1 61 . 1 1 23 23 LYS N N 15 127.212 0.022 . 1 . . . . 282 K N . 27145 1 62 . 1 1 24 24 ASP H H 1 9.097 0.002 . 1 . . . . 283 D H . 27145 1 63 . 1 1 24 24 ASP CA C 13 56.911 0.041 . 1 . . . . 283 D CA . 27145 1 64 . 1 1 24 24 ASP CB C 13 40.096 0.000 . 1 . . . . 283 D CB . 27145 1 65 . 1 1 24 24 ASP N N 15 115.143 0.029 . 1 . . . . 283 D N . 27145 1 66 . 1 1 25 25 ASP H H 1 7.619 0.001 . 1 . . . . 284 D H . 27145 1 67 . 1 1 25 25 ASP CA C 13 52.980 0.010 . 1 . . . . 284 D CA . 27145 1 68 . 1 1 25 25 ASP CB C 13 39.907 0.000 . 1 . . . . 284 D CB . 27145 1 69 . 1 1 25 25 ASP N N 15 116.212 0.037 . 1 . . . . 284 D N . 27145 1 70 . 1 1 26 26 GLY H H 1 8.208 0.001 . 1 . . . . 285 G H . 27145 1 71 . 1 1 26 26 GLY CA C 13 45.134 0.054 . 1 . . . . 285 G CA . 27145 1 72 . 1 1 26 26 GLY N N 15 108.241 0.059 . 1 . . . . 285 G N . 27145 1 73 . 1 1 27 27 THR H H 1 7.965 0.001 . 1 . . . . 286 T H . 27145 1 74 . 1 1 27 27 THR CA C 13 64.497 3.339 . 1 . . . . 286 T CA . 27145 1 75 . 1 1 27 27 THR N N 15 114.411 0.025 . 1 . . . . 286 T N . 27145 1 76 . 1 1 28 28 LEU H H 1 8.622 0.001 . 1 . . . . 287 L H . 27145 1 77 . 1 1 28 28 LEU CA C 13 53.819 0.033 . 1 . . . . 287 L CA . 27145 1 78 . 1 1 28 28 LEU CB C 13 43.305 0.000 . 1 . . . . 287 L CB . 27145 1 79 . 1 1 28 28 LEU N N 15 120.820 0.035 . 1 . . . . 287 L N . 27145 1 80 . 1 1 29 29 GLU H H 1 9.395 0.002 . 1 . . . . 288 E H . 27145 1 81 . 1 1 29 29 GLU CA C 13 55.200 0.002 . 1 . . . . 288 E CA . 27145 1 82 . 1 1 29 29 GLU CB C 13 32.254 0.000 . 1 . . . . 288 E CB . 27145 1 83 . 1 1 29 29 GLU N N 15 127.290 0.036 . 1 . . . . 288 E N . 27145 1 84 . 1 1 30 30 ILE H H 1 9.295 0.002 . 1 . . . . 289 I H . 27145 1 85 . 1 1 30 30 ILE CA C 13 58.870 0.033 . 1 . . . . 289 I CA . 27145 1 86 . 1 1 30 30 ILE CB C 13 37.264 0.000 . 1 . . . . 289 I CB . 27145 1 87 . 1 1 30 30 ILE N N 15 128.470 0.027 . 1 . . . . 289 I N . 27145 1 88 . 1 1 31 31 TYR H H 1 8.717 0.002 . 1 . . . . 290 Y H . 27145 1 89 . 1 1 31 31 TYR CA C 13 57.651 0.011 . 1 . . . . 290 Y CA . 27145 1 90 . 1 1 31 31 TYR CB C 13 38.119 0.000 . 1 . . . . 290 Y CB . 27145 1 91 . 1 1 31 31 TYR N N 15 127.106 0.036 . 1 . . . . 290 Y N . 27145 1 92 . 1 1 32 32 LEU H H 1 9.062 0.002 . 1 . . . . 291 L H . 27145 1 93 . 1 1 32 32 LEU CA C 13 53.896 0.021 . 1 . . . . 291 L CA . 27145 1 94 . 1 1 32 32 LEU CB C 13 46.143 0.000 . 1 . . . . 291 L CB . 27145 1 95 . 1 1 32 32 LEU N N 15 121.995 0.033 . 1 . . . . 291 L N . 27145 1 96 . 1 1 33 33 THR H H 1 8.439 0.002 . 1 . . . . 292 T H . 27145 1 97 . 1 1 33 33 THR CA C 13 61.940 0.025 . 1 . . . . 292 T CA . 27145 1 98 . 1 1 33 33 THR CB C 13 69.852 0.000 . 1 . . . . 292 T CB . 27145 1 99 . 1 1 33 33 THR N N 15 116.108 0.042 . 1 . . . . 292 T N . 27145 1 100 . 1 1 34 34 TRP H H 1 9.539 0.007 . 1 . . . . 293 W H . 27145 1 101 . 1 1 34 34 TRP CA C 13 57.314 0.027 . 1 . . . . 293 W CA . 27145 1 102 . 1 1 34 34 TRP CB C 13 30.161 0.000 . 1 . . . . 293 W CB . 27145 1 103 . 1 1 34 34 TRP N N 15 129.438 0.021 . 1 . . . . 293 W N . 27145 1 104 . 1 1 35 35 LYS H H 1 8.792 0.002 . 1 . . . . 294 K H . 27145 1 105 . 1 1 35 35 LYS CA C 13 60.048 0.000 . 1 . . . . 294 K CA . 27145 1 106 . 1 1 35 35 LYS CB C 13 29.382 0.000 . 1 . . . . 294 K CB . 27145 1 107 . 1 1 35 35 LYS N N 15 122.342 0.014 . 1 . . . . 294 K N . 27145 1 108 . 1 1 37 37 GLY H H 1 8.199 0.001 . 1 . . . . 296 G H . 27145 1 109 . 1 1 37 37 GLY CA C 13 44.808 0.036 . 1 . . . . 296 G CA . 27145 1 110 . 1 1 37 37 GLY N N 15 108.924 0.065 . 1 . . . . 296 G N . 27145 1 111 . 1 1 38 38 ALA H H 1 7.851 0.001 . 1 . . . . 297 A H . 27145 1 112 . 1 1 38 38 ALA CA C 13 52.261 0.032 . 1 . . . . 297 A CA . 27145 1 113 . 1 1 38 38 ALA CB C 13 19.311 0.000 . 1 . . . . 297 A CB . 27145 1 114 . 1 1 38 38 ALA N N 15 123.360 0.025 . 1 . . . . 297 A N . 27145 1 115 . 1 1 39 39 ILE H H 1 8.208 0.000 . 1 . . . . 298 I H . 27145 1 116 . 1 1 39 39 ILE CA C 13 59.925 0.017 . 1 . . . . 298 I CA . 27145 1 117 . 1 1 39 39 ILE CB C 13 41.452 0.000 . 1 . . . . 298 I CB . 27145 1 118 . 1 1 39 39 ILE N N 15 116.358 0.021 . 1 . . . . 298 I N . 27145 1 119 . 1 1 40 40 SER H H 1 8.812 0.002 . 1 . . . . 299 S H . 27145 1 120 . 1 1 40 40 SER CA C 13 58.613 0.013 . 1 . . . . 299 S CA . 27145 1 121 . 1 1 40 40 SER CB C 13 63.981 0.000 . 1 . . . . 299 S CB . 27145 1 122 . 1 1 40 40 SER N N 15 117.639 0.037 . 1 . . . . 299 S N . 27145 1 123 . 1 1 41 41 HIS H H 1 7.216 0.002 . 1 . . . . 300 H H . 27145 1 124 . 1 1 41 41 HIS CA C 13 52.776 0.021 . 1 . . . . 300 H CA . 27145 1 125 . 1 1 41 41 HIS CB C 13 30.563 0.000 . 1 . . . . 300 H CB . 27145 1 126 . 1 1 41 41 HIS N N 15 112.505 0.035 . 1 . . . . 300 H N . 27145 1 127 . 1 1 42 42 HIS H H 1 8.885 0.001 . 1 . . . . 301 H H . 27145 1 128 . 1 1 42 42 HIS CA C 13 53.762 0.000 . 1 . . . . 301 H CA . 27145 1 129 . 1 1 42 42 HIS N N 15 118.561 0.030 . 1 . . . . 301 H N . 27145 1 130 . 1 1 44 44 SER CA C 13 61.094 0.000 . 1 . . . . 303 S CA . 27145 1 131 . 1 1 45 45 THR H H 1 7.298 0.001 . 1 . . . . 304 T H . 27145 1 132 . 1 1 45 45 THR CA C 13 64.218 0.028 . 1 . . . . 304 T CA . 27145 1 133 . 1 1 45 45 THR CB C 13 68.172 0.000 . 1 . . . . 304 T CB . 27145 1 134 . 1 1 45 45 THR N N 15 111.064 0.018 . 1 . . . . 304 T N . 27145 1 135 . 1 1 46 46 ILE H H 1 7.491 0.001 . 1 . . . . 305 I H . 27145 1 136 . 1 1 46 46 ILE CA C 13 62.399 0.014 . 1 . . . . 305 I CA . 27145 1 137 . 1 1 46 46 ILE CB C 13 37.644 0.000 . 1 . . . . 305 I CB . 27145 1 138 . 1 1 46 46 ILE N N 15 119.503 0.027 . 1 . . . . 305 I N . 27145 1 139 . 1 1 47 47 THR H H 1 7.740 0.002 . 1 . . . . 306 T H . 27145 1 140 . 1 1 47 47 THR CA C 13 66.463 0.065 . 1 . . . . 306 T CA . 27145 1 141 . 1 1 47 47 THR N N 15 113.146 0.038 . 1 . . . . 306 T N . 27145 1 142 . 1 1 48 48 ASN H H 1 9.013 0.001 . 1 . . . . 307 N H . 27145 1 143 . 1 1 48 48 ASN CA C 13 55.514 0.041 . 1 . . . . 307 N CA . 27145 1 144 . 1 1 48 48 ASN CB C 13 37.490 0.000 . 1 . . . . 307 N CB . 27145 1 145 . 1 1 48 48 ASN N N 15 120.747 0.029 . 1 . . . . 307 N N . 27145 1 146 . 1 1 49 49 LYS H H 1 6.621 0.001 . 1 . . . . 308 K H . 27145 1 147 . 1 1 49 49 LYS CA C 13 56.816 0.000 . 1 . . . . 308 K CA . 27145 1 148 . 1 1 49 49 LYS N N 15 114.135 0.034 . 1 . . . . 308 K N . 27145 1 149 . 1 1 52 52 PRO CA C 13 65.566 0.067 . 1 . . . . 311 P CA . 27145 1 150 . 1 1 52 52 PRO CB C 13 31.385 0.000 . 1 . . . . 311 P CB . 27145 1 151 . 1 1 53 53 GLN H H 1 10.992 0.001 . 1 . . . . 312 Q H . 27145 1 152 . 1 1 53 53 GLN CA C 13 58.805 0.020 . 1 . . . . 312 Q CA . 27145 1 153 . 1 1 53 53 GLN CB C 13 25.747 0.000 . 1 . . . . 312 Q CB . 27145 1 154 . 1 1 53 53 GLN N N 15 118.798 0.025 . 1 . . . . 312 Q N . 27145 1 155 . 1 1 54 54 LYS H H 1 8.301 0.002 . 1 . . . . 313 K H . 27145 1 156 . 1 1 54 54 LYS CA C 13 57.829 0.023 . 1 . . . . 313 K CA . 27145 1 157 . 1 1 54 54 LYS CB C 13 31.250 0.000 . 1 . . . . 313 K CB . 27145 1 158 . 1 1 54 54 LYS N N 15 122.135 0.025 . 1 . . . . 313 K N . 27145 1 159 . 1 1 55 55 MET H H 1 7.958 0.002 . 1 . . . . 314 M H . 27145 1 160 . 1 1 55 55 MET CA C 13 56.048 0.031 . 1 . . . . 314 M CA . 27145 1 161 . 1 1 55 55 MET N N 15 117.558 0.023 . 1 . . . . 314 M N . 27145 1 162 . 1 1 56 56 LEU H H 1 8.840 0.004 . 1 . . . . 315 L H . 27145 1 163 . 1 1 56 56 LEU CA C 13 57.568 0.975 . 1 . . . . 315 L CA . 27145 1 164 . 1 1 56 56 LEU CB C 13 41.382 0.000 . 1 . . . . 315 L CB . 27145 1 165 . 1 1 56 56 LEU N N 15 121.423 0.033 . 1 . . . . 315 L N . 27145 1 166 . 1 1 57 57 GLN H H 1 7.955 0.003 . 1 . . . . 316 Q H . 27145 1 167 . 1 1 57 57 GLN CA C 13 58.823 0.029 . 1 . . . . 316 Q CA . 27145 1 168 . 1 1 57 57 GLN CB C 13 28.496 0.000 . 1 . . . . 316 Q CB . 27145 1 169 . 1 1 57 57 GLN N N 15 116.923 0.029 . 1 . . . . 316 Q N . 27145 1 170 . 1 1 58 58 PHE H H 1 7.705 0.001 . 1 . . . . 317 F H . 27145 1 171 . 1 1 58 58 PHE CA C 13 61.556 0.021 . 1 . . . . 317 F CA . 27145 1 172 . 1 1 58 58 PHE CB C 13 38.190 0.000 . 1 . . . . 317 F CB . 27145 1 173 . 1 1 58 58 PHE N N 15 121.348 0.018 . 1 . . . . 317 F N . 27145 1 174 . 1 1 59 59 TYR H H 1 8.669 0.001 . 1 . . . . 318 Y H . 27145 1 175 . 1 1 59 59 TYR CA C 13 61.959 0.033 . 1 . . . . 318 Y CA . 27145 1 176 . 1 1 59 59 TYR CB C 13 36.374 0.000 . 1 . . . . 318 Y CB . 27145 1 177 . 1 1 59 59 TYR N N 15 122.167 0.023 . 1 . . . . 318 Y N . 27145 1 178 . 1 1 60 60 GLU H H 1 8.511 0.002 . 1 . . . . 319 E H . 27145 1 179 . 1 1 60 60 GLU CA C 13 59.960 0.026 . 1 . . . . 319 E CA . 27145 1 180 . 1 1 60 60 GLU CB C 13 29.380 0.000 . 1 . . . . 319 E CB . 27145 1 181 . 1 1 60 60 GLU N N 15 116.745 0.033 . 1 . . . . 319 E N . 27145 1 182 . 1 1 61 61 SER H H 1 7.498 0.004 . 1 . . . . 320 S H . 27145 1 183 . 1 1 61 61 SER CA C 13 57.128 3.450 . 1 . . . . 320 S CA . 27145 1 184 . 1 1 61 61 SER CB C 13 50.425 13.25 . 1 . . . . 320 S CB . 27145 1 185 . 1 1 61 61 SER N N 15 112.094 0.042 . 1 . . . . 320 S N . 27145 1 186 . 1 1 62 62 HIS H H 1 7.672 0.001 . 1 . . . . 321 H H . 27145 1 187 . 1 1 62 62 HIS CA C 13 57.552 0.007 . 1 . . . . 321 H CA . 27145 1 188 . 1 1 62 62 HIS CB C 13 30.573 0.000 . 1 . . . . 321 H CB . 27145 1 189 . 1 1 62 62 HIS N N 15 119.956 0.025 . 1 . . . . 321 H N . 27145 1 190 . 1 1 63 63 LEU H H 1 7.516 0.002 . 1 . . . . 322 L H . 27145 1 191 . 1 1 63 63 LEU CA C 13 55.543 0.007 . 1 . . . . 322 L CA . 27145 1 192 . 1 1 63 63 LEU CB C 13 42.715 0.000 . 1 . . . . 322 L CB . 27145 1 193 . 1 1 63 63 LEU N N 15 120.447 0.036 . 1 . . . . 322 L N . 27145 1 194 . 1 1 64 64 THR H H 1 7.911 0.002 . 1 . . . . 323 T H . 27145 1 195 . 1 1 64 64 THR CA C 13 61.382 0.018 . 1 . . . . 323 T CA . 27145 1 196 . 1 1 64 64 THR CB C 13 70.161 0.000 . 1 . . . . 323 T CB . 27145 1 197 . 1 1 64 64 THR N N 15 113.918 0.019 . 1 . . . . 323 T N . 27145 1 198 . 1 1 65 65 PHE H H 1 8.321 0.008 . 1 . . . . 324 F H . 27145 1 199 . 1 1 65 65 PHE CA C 13 57.767 0.032 . 1 . . . . 324 F CA . 27145 1 200 . 1 1 65 65 PHE CB C 13 39.905 0.000 . 1 . . . . 324 F CB . 27145 1 201 . 1 1 65 65 PHE N N 15 122.117 0.029 . 1 . . . . 324 F N . 27145 1 202 . 1 1 66 66 ARG H H 1 8.380 0.004 . 1 . . . . 325 R H . 27145 1 203 . 1 1 66 66 ARG CA C 13 55.939 0.016 . 1 . . . . 325 R CA . 27145 1 204 . 1 1 66 66 ARG CB C 13 31.142 0.000 . 1 . . . . 325 R CB . 27145 1 205 . 1 1 66 66 ARG N N 15 122.077 0.029 . 1 . . . . 325 R N . 27145 1 206 . 1 1 67 67 GLU H H 1 8.596 0.001 . 1 . . . . 326 E H . 27145 1 207 . 1 1 67 67 GLU CA C 13 56.694 0.071 . 1 . . . . 326 E CA . 27145 1 208 . 1 1 67 67 GLU CB C 13 30.386 0.000 . 1 . . . . 326 E CB . 27145 1 209 . 1 1 67 67 GLU N N 15 122.319 0.025 . 1 . . . . 326 E N . 27145 1 210 . 1 1 68 68 ASN H H 1 8.507 0.002 . 1 . . . . 327 N H . 27145 1 211 . 1 1 68 68 ASN CA C 13 53.423 0.017 . 1 . . . . 327 N CA . 27145 1 212 . 1 1 68 68 ASN CB C 13 39.189 0.000 . 1 . . . . 327 N CB . 27145 1 213 . 1 1 68 68 ASN N N 15 119.334 0.009 . 1 . . . . 327 N N . 27145 1 214 . 1 1 69 69 GLU H H 1 7.924 0.001 . 1 . . . . 328 E H . 27145 1 215 . 1 1 69 69 GLU CA C 13 58.107 0.000 . 1 . . . . 328 E CA . 27145 1 216 . 1 1 69 69 GLU N N 15 125.997 0.021 . 1 . . . . 328 E N . 27145 1 stop_ save_