################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51334 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MDM2 AD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' . . . 51334 1 2 '2D 1H-15N HSQC' . . . 51334 1 3 '3D HNCACB' . . . 51334 1 4 '3D CBCA(CO)NH' . . . 51334 1 5 '3D HNCO' . . . 51334 1 6 '3D HN(CA)CO' . . . 51334 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51334 1 2 $software_2 . . 51334 1 3 $software_3 . . 51334 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY H H 1 8.534 0.003 . . . . . . . 217 G HN . 51334 1 2 . 1 . 1 3 3 GLY C C 13 173.915 0.078 . . . . . . . 217 G C . 51334 1 3 . 1 . 1 3 3 GLY CA C 13 45.120 0.137 . . . . . . . 217 G CA . 51334 1 4 . 1 . 1 3 3 GLY N N 15 111.563 0.017 . . . . . . . 217 G N . 51334 1 5 . 1 . 1 4 4 THR H H 1 8.142 0.001 . . . . . . . 218 T HN . 51334 1 6 . 1 . 1 4 4 THR C C 13 173.010 0.078 . . . . . . . 218 T C . 51334 1 7 . 1 . 1 4 4 THR CA C 13 59.718 0.137 . . . . . . . 218 T CA . 51334 1 8 . 1 . 1 4 4 THR CB C 13 69.689 0.137 . . . . . . . 218 T CB . 51334 1 9 . 1 . 1 4 4 THR N N 15 116.600 0.009 . . . . . . . 218 T N . 51334 1 10 . 1 . 1 5 5 PRO C C 13 176.920 0.078 . . . . . . . 219 P C . 51334 1 11 . 1 . 1 5 5 PRO CA C 13 63.404 0.137 . . . . . . . 219 P CA . 51334 1 12 . 1 . 1 5 5 PRO CB C 13 32.125 0.137 . . . . . . . 219 P CB . 51334 1 13 . 1 . 1 6 6 SER H H 1 8.418 0.001 . . . . . . . 220 S HN . 51334 1 14 . 1 . 1 6 6 SER C C 13 173.924 0.078 . . . . . . . 220 S C . 51334 1 15 . 1 . 1 6 6 SER CA C 13 58.326 0.138 . . . . . . . 220 S CA . 51334 1 16 . 1 . 1 6 6 SER CB C 13 63.843 0.138 . . . . . . . 220 S CB . 51334 1 17 . 1 . 1 6 6 SER N N 15 116.106 0.022 . . . . . . . 220 S N . 51334 1 18 . 1 . 1 7 7 ASN H H 1 8.427 0.001 . . . . . . . 221 N HN . 51334 1 19 . 1 . 1 7 7 ASN C C 13 173.486 0.078 . . . . . . . 221 N C . 51334 1 20 . 1 . 1 7 7 ASN CA C 13 51.166 0.137 . . . . . . . 221 N CA . 51334 1 21 . 1 . 1 7 7 ASN CB C 13 39.012 0.137 . . . . . . . 221 N CB . 51334 1 22 . 1 . 1 7 7 ASN N N 15 121.117 0.010 . . . . . . . 221 N N . 51334 1 23 . 1 . 1 8 8 PRO C C 13 176.735 0.078 . . . . . . . 222 P C . 51334 1 24 . 1 . 1 8 8 PRO CA C 13 63.707 0.137 . . . . . . . 222 P CA . 51334 1 25 . 1 . 1 8 8 PRO CB C 13 32.159 0.137 . . . . . . . 222 P CB . 51334 1 26 . 1 . 1 9 9 ASP H H 1 8.266 0.001 . . . . . . . 223 D HN . 51334 1 27 . 1 . 1 9 9 ASP C C 13 176.528 0.078 . . . . . . . 223 D C . 51334 1 28 . 1 . 1 9 9 ASP CA C 13 54.628 0.137 . . . . . . . 223 D CA . 51334 1 29 . 1 . 1 9 9 ASP CB C 13 40.922 0.137 . . . . . . . 223 D CB . 51334 1 30 . 1 . 1 9 9 ASP N N 15 119.365 0.024 . . . . . . . 223 D N . 51334 1 31 . 1 . 1 10 10 LEU H H 1 7.962 0.002 . . . . . . . 224 L HN . 51334 1 32 . 1 . 1 10 10 LEU C C 13 177.336 0.078 . . . . . . . 224 L C . 51334 1 33 . 1 . 1 10 10 LEU CA C 13 55.417 0.137 . . . . . . . 224 L CA . 51334 1 34 . 1 . 1 10 10 LEU CB C 13 42.358 0.137 . . . . . . . 224 L CB . 51334 1 35 . 1 . 1 10 10 LEU N N 15 122.032 0.009 . . . . . . . 224 L N . 51334 1 36 . 1 . 1 11 11 ASP H H 1 8.255 0.001 . . . . . . . 225 D HN . 51334 1 37 . 1 . 1 11 11 ASP C C 13 176.184 0.078 . . . . . . . 225 D C . 51334 1 38 . 1 . 1 11 11 ASP CA C 13 54.559 0.137 . . . . . . . 225 D CA . 51334 1 39 . 1 . 1 11 11 ASP CB C 13 41.195 0.137 . . . . . . . 225 D CB . 51334 1 40 . 1 . 1 11 11 ASP N N 15 120.979 0.013 . . . . . . . 225 D N . 51334 1 41 . 1 . 1 12 12 ALA H H 1 8.173 0.001 . . . . . . . 226 A HN . 51334 1 42 . 1 . 1 12 12 ALA C C 13 178.427 0.078 . . . . . . . 226 A C . 51334 1 43 . 1 . 1 12 12 ALA CA C 13 52.937 0.137 . . . . . . . 226 A CA . 51334 1 44 . 1 . 1 12 12 ALA CB C 13 19.131 0.137 . . . . . . . 226 A CB . 51334 1 45 . 1 . 1 12 12 ALA N N 15 124.599 0.025 . . . . . . . 226 A N . 51334 1 46 . 1 . 1 13 13 GLY H H 1 8.407 0.001 . . . . . . . 227 G HN . 51334 1 47 . 1 . 1 13 13 GLY C C 13 174.332 0.078 . . . . . . . 227 G C . 51334 1 48 . 1 . 1 13 13 GLY CA C 13 45.423 0.137 . . . . . . . 227 G CA . 51334 1 49 . 1 . 1 13 13 GLY N N 15 107.818 0.002 . . . . . . . 227 G N . 51334 1 50 . 1 . 1 14 14 VAL H H 1 7.925 0.002 . . . . . . . 228 V HN . 51334 1 51 . 1 . 1 14 14 VAL C C 13 176.392 0.078 . . . . . . . 228 V C . 51334 1 52 . 1 . 1 14 14 VAL CA C 13 62.301 0.137 . . . . . . . 228 V CA . 51334 1 53 . 1 . 1 14 14 VAL CB C 13 32.818 0.137 . . . . . . . 228 V CB . 51334 1 54 . 1 . 1 14 14 VAL N N 15 119.129 0.016 . . . . . . . 228 V N . 51334 1 55 . 1 . 1 15 15 SER H H 1 8.412 0.001 . . . . . . . 229 S HN . 51334 1 56 . 1 . 1 15 15 SER C C 13 174.513 0.078 . . . . . . . 229 S C . 51334 1 57 . 1 . 1 15 15 SER CA C 13 58.243 0.137 . . . . . . . 229 S CA . 51334 1 58 . 1 . 1 15 15 SER CB C 13 63.862 0.137 . . . . . . . 229 S CB . 51334 1 59 . 1 . 1 15 15 SER N N 15 119.386 0.019 . . . . . . . 229 S N . 51334 1 60 . 1 . 1 16 16 GLU H H 1 8.457 0.001 . . . . . . . 230 E HN . 51334 1 61 . 1 . 1 16 16 GLU C C 13 176.158 0.078 . . . . . . . 230 E C . 51334 1 62 . 1 . 1 16 16 GLU CA C 13 56.694 0.137 . . . . . . . 230 E CA . 51334 1 63 . 1 . 1 16 16 GLU CB C 13 30.243 0.137 . . . . . . . 230 E CB . 51334 1 64 . 1 . 1 16 16 GLU N N 15 123.034 0.015 . . . . . . . 230 E N . 51334 1 65 . 1 . 1 17 17 HIS H H 1 8.369 0.001 . . . . . . . 231 H HN . 51334 1 66 . 1 . 1 17 17 HIS C C 13 174.836 0.078 . . . . . . . 231 H C . 51334 1 67 . 1 . 1 17 17 HIS CA C 13 55.463 0.137 . . . . . . . 231 H CA . 51334 1 68 . 1 . 1 17 17 HIS CB C 13 30.025 0.137 . . . . . . . 231 H CB . 51334 1 69 . 1 . 1 17 17 HIS N N 15 119.637 0.009 . . . . . . . 231 H N . 51334 1 70 . 1 . 1 18 18 SER H H 1 8.330 0.000 . . . . . . . 232 S HN . 51334 1 71 . 1 . 1 18 18 SER C C 13 175.007 0.078 . . . . . . . 232 S C . 51334 1 72 . 1 . 1 18 18 SER CA C 13 58.513 0.137 . . . . . . . 232 S CA . 51334 1 73 . 1 . 1 18 18 SER CB C 13 63.847 0.137 . . . . . . . 232 S CB . 51334 1 74 . 1 . 1 18 18 SER N N 15 117.666 0.025 . . . . . . . 232 S N . 51334 1 75 . 1 . 1 19 19 GLY H H 1 8.451 0.001 . . . . . . . 233 G HN . 51334 1 76 . 1 . 1 19 19 GLY C C 13 173.926 0.078 . . . . . . . 233 G C . 51334 1 77 . 1 . 1 19 19 GLY CA C 13 45.412 0.137 . . . . . . . 233 G CA . 51334 1 78 . 1 . 1 19 19 GLY N N 15 110.818 0.002 . . . . . . . 233 G N . 51334 1 79 . 1 . 1 20 20 ASP H H 1 8.191 0.001 . . . . . . . 234 D HN . 51334 1 80 . 1 . 1 20 20 ASP C C 13 176.101 0.078 . . . . . . . 234 D C . 51334 1 81 . 1 . 1 20 20 ASP CA C 13 54.450 0.137 . . . . . . . 234 D CA . 51334 1 82 . 1 . 1 20 20 ASP CB C 13 40.979 0.137 . . . . . . . 234 D CB . 51334 1 83 . 1 . 1 20 20 ASP N N 15 120.455 0.042 . . . . . . . 234 D N . 51334 1 84 . 1 . 1 21 21 TRP H H 1 8.032 0.000 . . . . . . . 235 W HN . 51334 1 85 . 1 . 1 21 21 TRP C C 13 175.938 0.078 . . . . . . . 235 W C . 51334 1 86 . 1 . 1 21 21 TRP CA C 13 57.496 0.138 . . . . . . . 235 W CA . 51334 1 87 . 1 . 1 21 21 TRP CB C 13 29.347 0.138 . . . . . . . 235 W CB . 51334 1 88 . 1 . 1 21 21 TRP N N 15 121.284 0.026 . . . . . . . 235 W N . 51334 1 89 . 1 . 1 22 22 LEU H H 1 7.878 0.000 . . . . . . . 236 L HN . 51334 1 90 . 1 . 1 22 22 LEU C C 13 176.540 0.078 . . . . . . . 236 L C . 51334 1 91 . 1 . 1 22 22 LEU CA C 13 54.911 0.137 . . . . . . . 236 L CA . 51334 1 92 . 1 . 1 22 22 LEU CB C 13 42.659 0.137 . . . . . . . 236 L CB . 51334 1 93 . 1 . 1 22 22 LEU N N 15 124.165 0.040 . . . . . . . 236 L N . 51334 1 94 . 1 . 1 23 23 ASP H H 1 8.135 0.001 . . . . . . . 237 D HN . 51334 1 95 . 1 . 1 23 23 ASP C C 13 176.370 0.078 . . . . . . . 237 D C . 51334 1 96 . 1 . 1 23 23 ASP CA C 13 54.283 0.137 . . . . . . . 237 D CA . 51334 1 97 . 1 . 1 23 23 ASP CB C 13 41.005 0.137 . . . . . . . 237 D CB . 51334 1 98 . 1 . 1 23 23 ASP N N 15 121.327 0.003 . . . . . . . 237 D N . 51334 1 99 . 1 . 1 24 24 GLN H H 1 8.282 0.001 . . . . . . . 238 Q HN . 51334 1 100 . 1 . 1 24 24 GLN C C 13 175.978 0.078 . . . . . . . 238 Q C . 51334 1 101 . 1 . 1 24 24 GLN CA C 13 56.093 0.137 . . . . . . . 238 Q CA . 51334 1 102 . 1 . 1 24 24 GLN CB C 13 29.505 0.137 . . . . . . . 238 Q CB . 51334 1 103 . 1 . 1 24 24 GLN N N 15 120.860 0.009 . . . . . . . 238 Q N . 51334 1 104 . 1 . 1 25 25 ASP H H 1 8.416 0.000 . . . . . . . 239 D HN . 51334 1 105 . 1 . 1 25 25 ASP C C 13 176.414 0.078 . . . . . . . 239 D C . 51334 1 106 . 1 . 1 25 25 ASP CA C 13 54.810 0.137 . . . . . . . 239 D CA . 51334 1 107 . 1 . 1 25 25 ASP CB C 13 41.139 0.137 . . . . . . . 239 D CB . 51334 1 108 . 1 . 1 25 25 ASP N N 15 121.086 0.004 . . . . . . . 239 D N . 51334 1 109 . 1 . 1 26 26 SER H H 1 8.151 0.002 . . . . . . . 240 S HN . 51334 1 110 . 1 . 1 26 26 SER C C 13 174.588 0.078 . . . . . . . 240 S C . 51334 1 111 . 1 . 1 26 26 SER CA C 13 58.477 0.137 . . . . . . . 240 S CA . 51334 1 112 . 1 . 1 26 26 SER CB C 13 63.891 0.137 . . . . . . . 240 S CB . 51334 1 113 . 1 . 1 26 26 SER N N 15 115.889 0.019 . . . . . . . 240 S N . 51334 1 114 . 1 . 1 27 27 VAL H H 1 8.118 0.000 . . . . . . . 241 V HN . 51334 1 115 . 1 . 1 27 27 VAL C C 13 176.352 0.078 . . . . . . . 241 V C . 51334 1 116 . 1 . 1 27 27 VAL CA C 13 62.307 0.137 . . . . . . . 241 V CA . 51334 1 117 . 1 . 1 27 27 VAL CB C 13 32.772 0.137 . . . . . . . 241 V CB . 51334 1 118 . 1 . 1 27 27 VAL N N 15 121.502 0.012 . . . . . . . 241 V N . 51334 1 119 . 1 . 1 28 28 SER H H 1 8.361 0.000 . . . . . . . 242 S HN . 51334 1 120 . 1 . 1 28 28 SER C C 13 174.453 0.078 . . . . . . . 242 S C . 51334 1 121 . 1 . 1 28 28 SER CA C 13 58.368 0.137 . . . . . . . 242 S CA . 51334 1 122 . 1 . 1 28 28 SER CB C 13 63.855 0.137 . . . . . . . 242 S CB . 51334 1 123 . 1 . 1 28 28 SER N N 15 119.250 0.012 . . . . . . . 242 S N . 51334 1 124 . 1 . 1 29 29 ASP H H 1 8.360 0.001 . . . . . . . 243 D HN . 51334 1 125 . 1 . 1 29 29 ASP C C 13 176.319 0.078 . . . . . . . 243 D C . 51334 1 126 . 1 . 1 29 29 ASP CA C 13 54.427 0.137 . . . . . . . 243 D CA . 51334 1 127 . 1 . 1 29 29 ASP CB C 13 41.069 0.137 . . . . . . . 243 D CB . 51334 1 128 . 1 . 1 29 29 ASP N N 15 122.725 0.016 . . . . . . . 243 D N . 51334 1 129 . 1 . 1 30 30 GLN H H 1 8.231 0.001 . . . . . . . 244 Q HN . 51334 1 130 . 1 . 1 30 30 GLN C C 13 175.684 0.078 . . . . . . . 244 Q C . 51334 1 131 . 1 . 1 30 30 GLN CA C 13 56.041 0.137 . . . . . . . 244 Q CA . 51334 1 132 . 1 . 1 30 30 GLN CB C 13 29.270 0.137 . . . . . . . 244 Q CB . 51334 1 133 . 1 . 1 30 30 GLN N N 15 120.052 0.005 . . . . . . . 244 Q N . 51334 1 134 . 1 . 1 31 31 PHE H H 1 8.187 0.002 . . . . . . . 245 F HN . 51334 1 135 . 1 . 1 31 31 PHE C C 13 175.659 0.078 . . . . . . . 245 F C . 51334 1 136 . 1 . 1 31 31 PHE CA C 13 57.614 0.137 . . . . . . . 245 F CA . 51334 1 137 . 1 . 1 31 31 PHE CB C 13 39.507 0.137 . . . . . . . 245 F CB . 51334 1 138 . 1 . 1 31 31 PHE N N 15 120.641 0.020 . . . . . . . 245 F N . 51334 1 139 . 1 . 1 32 32 SER H H 1 8.135 0.003 . . . . . . . 246 S HN . 51334 1 140 . 1 . 1 32 32 SER C C 13 174.219 0.078 . . . . . . . 246 S C . 51334 1 141 . 1 . 1 32 32 SER CA C 13 58.117 0.137 . . . . . . . 246 S CA . 51334 1 142 . 1 . 1 32 32 SER CB C 13 63.869 0.137 . . . . . . . 246 S CB . 51334 1 143 . 1 . 1 32 32 SER N N 15 117.575 0.033 . . . . . . . 246 S N . 51334 1 144 . 1 . 1 33 33 VAL H H 1 8.142 0.002 . . . . . . . 247 V HN . 51334 1 145 . 1 . 1 33 33 VAL C C 13 175.937 0.078 . . . . . . . 247 V C . 51334 1 146 . 1 . 1 33 33 VAL CA C 13 62.211 0.137 . . . . . . . 247 V CA . 51334 1 147 . 1 . 1 33 33 VAL CB C 13 32.850 0.137 . . . . . . . 247 V CB . 51334 1 148 . 1 . 1 33 33 VAL N N 15 121.656 0.017 . . . . . . . 247 V N . 51334 1 149 . 1 . 1 34 34 GLU H H 1 8.375 0.001 . . . . . . . 248 E HN . 51334 1 150 . 1 . 1 34 34 GLU C C 13 175.936 0.078 . . . . . . . 248 E C . 51334 1 151 . 1 . 1 34 34 GLU CA C 13 56.472 0.137 . . . . . . . 248 E CA . 51334 1 152 . 1 . 1 34 34 GLU CB C 13 30.411 0.137 . . . . . . . 248 E CB . 51334 1 153 . 1 . 1 34 34 GLU N N 15 124.138 0.007 . . . . . . . 248 E N . 51334 1 154 . 1 . 1 35 35 PHE H H 1 8.133 0.000 . . . . . . . 249 F HN . 51334 1 155 . 1 . 1 35 35 PHE C C 13 175.294 0.078 . . . . . . . 249 F C . 51334 1 156 . 1 . 1 35 35 PHE CA C 13 57.394 0.137 . . . . . . . 249 F CA . 51334 1 157 . 1 . 1 35 35 PHE CB C 13 39.913 0.137 . . . . . . . 249 F CB . 51334 1 158 . 1 . 1 35 35 PHE N N 15 120.939 0.017 . . . . . . . 249 F N . 51334 1 159 . 1 . 1 36 36 GLU H H 1 8.336 0.001 . . . . . . . 250 E HN . 51334 1 160 . 1 . 1 36 36 GLU C C 13 175.995 0.078 . . . . . . . 250 E C . 51334 1 161 . 1 . 1 36 36 GLU CA C 13 56.193 0.137 . . . . . . . 250 E CA . 51334 1 162 . 1 . 1 36 36 GLU CB C 13 30.482 0.137 . . . . . . . 250 E CB . 51334 1 163 . 1 . 1 36 36 GLU N N 15 123.147 0.018 . . . . . . . 250 E N . 51334 1 164 . 1 . 1 37 37 VAL H H 1 8.236 0.001 . . . . . . . 251 V HN . 51334 1 165 . 1 . 1 37 37 VAL C C 13 176.137 0.078 . . . . . . . 251 V C . 51334 1 166 . 1 . 1 37 37 VAL CA C 13 62.215 0.137 . . . . . . . 251 V CA . 51334 1 167 . 1 . 1 37 37 VAL CB C 13 32.963 0.137 . . . . . . . 251 V CB . 51334 1 168 . 1 . 1 37 37 VAL N N 15 121.934 0.016 . . . . . . . 251 V N . 51334 1 169 . 1 . 1 38 38 GLU H H 1 8.565 0.002 . . . . . . . 252 E HN . 51334 1 170 . 1 . 1 38 38 GLU C C 13 176.327 0.078 . . . . . . . 252 E C . 51334 1 171 . 1 . 1 38 38 GLU CA C 13 56.594 0.137 . . . . . . . 252 E CA . 51334 1 172 . 1 . 1 38 38 GLU CB C 13 30.516 0.137 . . . . . . . 252 E CB . 51334 1 173 . 1 . 1 38 38 GLU N N 15 125.226 0.017 . . . . . . . 252 E N . 51334 1 174 . 1 . 1 39 39 SER H H 1 8.438 0.000 . . . . . . . 253 S HN . 51334 1 175 . 1 . 1 39 39 SER C C 13 174.400 0.078 . . . . . . . 253 S C . 51334 1 176 . 1 . 1 39 39 SER CA C 13 57.917 0.137 . . . . . . . 253 S CA . 51334 1 177 . 1 . 1 39 39 SER CB C 13 63.748 0.137 . . . . . . . 253 S CB . 51334 1 178 . 1 . 1 39 39 SER N N 15 117.721 0.011 . . . . . . . 253 S N . 51334 1 179 . 1 . 1 40 40 LEU H H 1 8.408 0.001 . . . . . . . 254 L HN . 51334 1 180 . 1 . 1 40 40 LEU C C 13 177.169 0.078 . . . . . . . 254 L C . 51334 1 181 . 1 . 1 40 40 LEU CA C 13 55.032 0.137 . . . . . . . 254 L CA . 51334 1 182 . 1 . 1 40 40 LEU CB C 13 42.415 0.137 . . . . . . . 254 L CB . 51334 1 183 . 1 . 1 40 40 LEU N N 15 125.019 0.019 . . . . . . . 254 L N . 51334 1 184 . 1 . 1 41 41 ASP H H 1 8.385 0.001 . . . . . . . 255 D HN . 51334 1 185 . 1 . 1 41 41 ASP C C 13 176.295 0.078 . . . . . . . 255 D C . 51334 1 186 . 1 . 1 41 41 ASP CA C 13 54.378 0.137 . . . . . . . 255 D CA . 51334 1 187 . 1 . 1 41 41 ASP CB C 13 41.226 0.137 . . . . . . . 255 D CB . 51334 1 188 . 1 . 1 41 41 ASP N N 15 121.548 0.007 . . . . . . . 255 D N . 51334 1 189 . 1 . 1 42 42 SER H H 1 8.244 0.001 . . . . . . . 256 S HN . 51334 1 190 . 1 . 1 42 42 SER C C 13 174.635 0.078 . . . . . . . 256 S C . 51334 1 191 . 1 . 1 42 42 SER CA C 13 58.347 0.137 . . . . . . . 256 S CA . 51334 1 192 . 1 . 1 42 42 SER CB C 13 63.916 0.137 . . . . . . . 256 S CB . 51334 1 193 . 1 . 1 42 42 SER N N 15 116.258 0.010 . . . . . . . 256 S N . 51334 1 194 . 1 . 1 43 43 GLU H H 1 8.438 0.002 . . . . . . . 257 E HN . 51334 1 195 . 1 . 1 43 43 GLU C C 13 175.817 0.078 . . . . . . . 257 E C . 51334 1 196 . 1 . 1 43 43 GLU CA C 13 56.546 0.137 . . . . . . . 257 E CA . 51334 1 197 . 1 . 1 43 43 GLU CB C 13 30.281 0.137 . . . . . . . 257 E CB . 51334 1 198 . 1 . 1 43 43 GLU N N 15 122.812 0.008 . . . . . . . 257 E N . 51334 1 199 . 1 . 1 44 44 ASP H H 1 8.260 0.001 . . . . . . . 258 D HN . 51334 1 200 . 1 . 1 44 44 ASP C C 13 176.112 0.078 . . . . . . . 258 D C . 51334 1 201 . 1 . 1 44 44 ASP CA C 13 54.071 0.137 . . . . . . . 258 D CA . 51334 1 202 . 1 . 1 44 44 ASP CB C 13 41.136 0.137 . . . . . . . 258 D CB . 51334 1 203 . 1 . 1 44 44 ASP N N 15 121.145 0.020 . . . . . . . 258 D N . 51334 1 204 . 1 . 1 45 45 TYR H H 1 8.185 0.002 . . . . . . . 259 Y HN . 51334 1 205 . 1 . 1 45 45 TYR C C 13 176.112 0.078 . . . . . . . 259 Y C . 51334 1 206 . 1 . 1 45 45 TYR CA C 13 57.976 0.137 . . . . . . . 259 Y CA . 51334 1 207 . 1 . 1 45 45 TYR CB C 13 38.470 0.137 . . . . . . . 259 Y CB . 51334 1 208 . 1 . 1 45 45 TYR N N 15 122.172 0.021 . . . . . . . 259 Y N . 51334 1 209 . 1 . 1 46 46 SER H H 1 8.301 0.001 . . . . . . . 260 S HN . 51334 1 210 . 1 . 1 46 46 SER C C 13 174.401 0.078 . . . . . . . 260 S C . 51334 1 211 . 1 . 1 46 46 SER CA C 13 58.721 0.137 . . . . . . . 260 S CA . 51334 1 212 . 1 . 1 46 46 SER CB C 13 63.771 0.137 . . . . . . . 260 S CB . 51334 1 213 . 1 . 1 46 46 SER N N 15 117.712 0.024 . . . . . . . 260 S N . 51334 1 214 . 1 . 1 47 47 LEU H H 1 8.144 0.001 . . . . . . . 261 L HN . 51334 1 215 . 1 . 1 47 47 LEU C C 13 177.460 0.078 . . . . . . . 261 L C . 51334 1 216 . 1 . 1 47 47 LEU CA C 13 55.164 0.137 . . . . . . . 261 L CA . 51334 1 217 . 1 . 1 47 47 LEU CB C 13 42.263 0.137 . . . . . . . 261 L CB . 51334 1 218 . 1 . 1 47 47 LEU N N 15 123.925 0.005 . . . . . . . 261 L N . 51334 1 219 . 1 . 1 48 48 SER H H 1 8.253 0.001 . . . . . . . 262 S HN . 51334 1 220 . 1 . 1 48 48 SER C C 13 174.613 0.078 . . . . . . . 262 S C . 51334 1 221 . 1 . 1 48 48 SER CA C 13 58.277 0.137 . . . . . . . 262 S CA . 51334 1 222 . 1 . 1 48 48 SER CB C 13 63.924 0.137 . . . . . . . 262 S CB . 51334 1 223 . 1 . 1 48 48 SER N N 15 116.723 0.020 . . . . . . . 262 S N . 51334 1 224 . 1 . 1 49 49 GLU H H 1 8.493 0.001 . . . . . . . 263 E HN . 51334 1 225 . 1 . 1 49 49 GLU C C 13 176.505 0.078 . . . . . . . 263 E C . 51334 1 226 . 1 . 1 49 49 GLU CA C 13 56.550 0.137 . . . . . . . 263 E CA . 51334 1 227 . 1 . 1 49 49 GLU CB C 13 30.379 0.137 . . . . . . . 263 E CB . 51334 1 228 . 1 . 1 49 49 GLU N N 15 123.213 0.010 . . . . . . . 263 E N . 51334 1 229 . 1 . 1 50 50 GLU H H 1 8.450 0.000 . . . . . . . 264 E HN . 51334 1 230 . 1 . 1 50 50 GLU C C 13 177.170 0.078 . . . . . . . 264 E C . 51334 1 231 . 1 . 1 50 50 GLU CA C 13 56.866 0.137 . . . . . . . 264 E CA . 51334 1 232 . 1 . 1 50 50 GLU CB C 13 30.347 0.137 . . . . . . . 264 E CB . 51334 1 233 . 1 . 1 50 50 GLU N N 15 121.969 0.018 . . . . . . . 264 E N . 51334 1 234 . 1 . 1 51 51 GLY H H 1 8.523 0.000 . . . . . . . 265 G HN . 51334 1 235 . 1 . 1 51 51 GLY C C 13 174.154 0.078 . . . . . . . 265 G C . 51334 1 236 . 1 . 1 51 51 GLY CA C 13 45.410 0.137 . . . . . . . 265 G CA . 51334 1 237 . 1 . 1 51 51 GLY N N 15 110.345 0.003 . . . . . . . 265 G N . 51334 1 238 . 1 . 1 52 52 GLN H H 1 8.198 0.000 . . . . . . . 266 Q HN . 51334 1 239 . 1 . 1 52 52 GLN C C 13 175.876 0.078 . . . . . . . 266 Q C . 51334 1 240 . 1 . 1 52 52 GLN CA C 13 55.559 0.137 . . . . . . . 266 Q CA . 51334 1 241 . 1 . 1 52 52 GLN CB C 13 29.840 0.137 . . . . . . . 266 Q CB . 51334 1 242 . 1 . 1 52 52 GLN N N 15 119.745 0.010 . . . . . . . 266 Q N . 51334 1 243 . 1 . 1 53 53 GLU H H 1 8.610 0.000 . . . . . . . 267 E HN . 51334 1 244 . 1 . 1 53 53 GLU C C 13 176.290 0.078 . . . . . . . 267 E C . 51334 1 245 . 1 . 1 53 53 GLU CA C 13 56.475 0.137 . . . . . . . 267 E CA . 51334 1 246 . 1 . 1 53 53 GLU CB C 13 30.099 0.137 . . . . . . . 267 E CB . 51334 1 247 . 1 . 1 53 53 GLU N N 15 122.717 0.023 . . . . . . . 267 E N . 51334 1 248 . 1 . 1 54 54 LEU H H 1 8.401 0.002 . . . . . . . 268 L HN . 51334 1 249 . 1 . 1 54 54 LEU C C 13 177.255 0.078 . . . . . . . 268 L C . 51334 1 250 . 1 . 1 54 54 LEU CA C 13 54.913 0.137 . . . . . . . 268 L CA . 51334 1 251 . 1 . 1 54 54 LEU CB C 13 42.501 0.137 . . . . . . . 268 L CB . 51334 1 252 . 1 . 1 54 54 LEU N N 15 124.191 0.006 . . . . . . . 268 L N . 51334 1 253 . 1 . 1 55 55 SER H H 1 8.457 0.001 . . . . . . . 269 S HN . 51334 1 254 . 1 . 1 55 55 SER C C 13 174.297 0.078 . . . . . . . 269 S C . 51334 1 255 . 1 . 1 55 55 SER CA C 13 57.842 0.137 . . . . . . . 269 S CA . 51334 1 256 . 1 . 1 55 55 SER CB C 13 64.100 0.137 . . . . . . . 269 S CB . 51334 1 257 . 1 . 1 55 55 SER N N 15 117.388 0.008 . . . . . . . 269 S N . 51334 1 258 . 1 . 1 56 56 ASP H H 1 8.494 0.001 . . . . . . . 270 D HN . 51334 1 259 . 1 . 1 56 56 ASP C C 13 176.410 0.078 . . . . . . . 270 D C . 51334 1 260 . 1 . 1 56 56 ASP CA C 13 54.452 0.137 . . . . . . . 270 D CA . 51334 1 261 . 1 . 1 56 56 ASP CB C 13 41.275 0.137 . . . . . . . 270 D CB . 51334 1 262 . 1 . 1 56 56 ASP N N 15 123.275 0.030 . . . . . . . 270 D N . 51334 1 263 . 1 . 1 57 57 GLU H H 1 8.384 0.000 . . . . . . . 271 E HN . 51334 1 264 . 1 . 1 57 57 GLU C C 13 176.301 0.078 . . . . . . . 271 E C . 51334 1 265 . 1 . 1 57 57 GLU CA C 13 56.634 0.137 . . . . . . . 271 E CA . 51334 1 266 . 1 . 1 57 57 GLU CB C 13 30.434 0.137 . . . . . . . 271 E CB . 51334 1 267 . 1 . 1 57 57 GLU N N 15 120.888 0.011 . . . . . . . 271 E N . 51334 1 268 . 1 . 1 58 58 ASP H H 1 8.364 0.002 . . . . . . . 272 D HN . 51334 1 269 . 1 . 1 58 58 ASP C C 13 176.491 0.078 . . . . . . . 272 D C . 51334 1 270 . 1 . 1 58 58 ASP CA C 13 54.437 0.137 . . . . . . . 272 D CA . 51334 1 271 . 1 . 1 58 58 ASP CB C 13 41.302 0.137 . . . . . . . 272 D CB . 51334 1 272 . 1 . 1 58 58 ASP N N 15 121.499 0.010 . . . . . . . 272 D N . 51334 1 273 . 1 . 1 59 59 ASP H H 1 8.283 0.001 . . . . . . . 273 D HN . 51334 1 274 . 1 . 1 59 59 ASP C C 13 176.505 0.078 . . . . . . . 273 D C . 51334 1 275 . 1 . 1 59 59 ASP CA C 13 54.538 0.137 . . . . . . . 273 D CA . 51334 1 276 . 1 . 1 59 59 ASP CB C 13 41.316 0.137 . . . . . . . 273 D CB . 51334 1 277 . 1 . 1 59 59 ASP N N 15 121.386 0.010 . . . . . . . 273 D N . 51334 1 278 . 1 . 1 60 60 GLU H H 1 8.365 0.000 . . . . . . . 274 E HN . 51334 1 279 . 1 . 1 60 60 GLU C C 13 176.107 0.078 . . . . . . . 274 E C . 51334 1 280 . 1 . 1 60 60 GLU CA C 13 56.839 0.137 . . . . . . . 274 E CA . 51334 1 281 . 1 . 1 60 60 GLU CB C 13 30.220 0.137 . . . . . . . 274 E CB . 51334 1 282 . 1 . 1 60 60 GLU N N 15 121.500 0.021 . . . . . . . 274 E N . 51334 1 283 . 1 . 1 61 61 VAL H H 1 8.089 0.001 . . . . . . . 275 V HN . 51334 1 284 . 1 . 1 61 61 VAL C C 13 176.048 0.078 . . . . . . . 275 V C . 51334 1 285 . 1 . 1 61 61 VAL CA C 13 62.646 0.137 . . . . . . . 275 V CA . 51334 1 286 . 1 . 1 61 61 VAL CB C 13 32.604 0.137 . . . . . . . 275 V CB . 51334 1 287 . 1 . 1 61 61 VAL N N 15 121.110 0.030 . . . . . . . 275 V N . 51334 1 288 . 1 . 1 62 62 TYR H H 1 8.211 0.001 . . . . . . . 276 Y HN . 51334 1 289 . 1 . 1 62 62 TYR C C 13 175.582 0.078 . . . . . . . 276 Y C . 51334 1 290 . 1 . 1 62 62 TYR CA C 13 57.949 0.137 . . . . . . . 276 Y CA . 51334 1 291 . 1 . 1 62 62 TYR CB C 13 38.796 0.137 . . . . . . . 276 Y CB . 51334 1 292 . 1 . 1 62 62 TYR N N 15 124.097 0.004 . . . . . . . 276 Y N . 51334 1 293 . 1 . 1 63 63 GLN H H 1 8.184 0.000 . . . . . . . 277 Q HN . 51334 1 294 . 1 . 1 63 63 GLN C C 13 175.379 0.078 . . . . . . . 277 Q C . 51334 1 295 . 1 . 1 63 63 GLN CA C 13 55.403 0.137 . . . . . . . 277 Q CA . 51334 1 296 . 1 . 1 63 63 GLN CB C 13 29.672 0.137 . . . . . . . 277 Q CB . 51334 1 297 . 1 . 1 63 63 GLN N N 15 122.657 0.031 . . . . . . . 277 Q N . 51334 1 298 . 1 . 1 64 64 VAL H H 1 8.166 0.001 . . . . . . . 278 V HN . 51334 1 299 . 1 . 1 64 64 VAL C C 13 176.251 0.078 . . . . . . . 278 V C . 51334 1 300 . 1 . 1 64 64 VAL CA C 13 62.425 0.137 . . . . . . . 278 V CA . 51334 1 301 . 1 . 1 64 64 VAL CB C 13 32.852 0.137 . . . . . . . 278 V CB . 51334 1 302 . 1 . 1 64 64 VAL N N 15 121.969 0.003 . . . . . . . 278 V N . 51334 1 303 . 1 . 1 65 65 THR H H 1 8.290 0.000 . . . . . . . 279 T HN . 51334 1 304 . 1 . 1 65 65 THR C C 13 174.075 0.078 . . . . . . . 279 T C . 51334 1 305 . 1 . 1 65 65 THR CA C 13 62.185 0.137 . . . . . . . 279 T CA . 51334 1 306 . 1 . 1 65 65 THR CB C 13 69.827 0.137 . . . . . . . 279 T CB . 51334 1 307 . 1 . 1 65 65 THR N N 15 119.727 0.013 . . . . . . . 279 T N . 51334 1 308 . 1 . 1 66 66 VAL H H 1 8.189 0.001 . . . . . . . 280 V HN . 51334 1 309 . 1 . 1 66 66 VAL C C 13 175.560 0.078 . . . . . . . 280 V C . 51334 1 310 . 1 . 1 66 66 VAL CA C 13 62.061 0.137 . . . . . . . 280 V CA . 51334 1 311 . 1 . 1 66 66 VAL CB C 13 32.935 0.137 . . . . . . . 280 V CB . 51334 1 312 . 1 . 1 66 66 VAL N N 15 123.580 0.023 . . . . . . . 280 V N . 51334 1 313 . 1 . 1 67 67 TYR H H 1 8.356 0.002 . . . . . . . 281 Y HN . 51334 1 314 . 1 . 1 67 67 TYR C C 13 175.468 0.078 . . . . . . . 281 Y C . 51334 1 315 . 1 . 1 67 67 TYR CA C 13 58.010 0.137 . . . . . . . 281 Y CA . 51334 1 316 . 1 . 1 67 67 TYR CB C 13 38.994 0.137 . . . . . . . 281 Y CB . 51334 1 317 . 1 . 1 67 67 TYR N N 15 125.215 0.019 . . . . . . . 281 Y N . 51334 1 318 . 1 . 1 68 68 GLN H H 1 8.287 0.000 . . . . . . . 282 Q HN . 51334 1 319 . 1 . 1 68 68 GLN C C 13 174.935 0.078 . . . . . . . 282 Q C . 51334 1 320 . 1 . 1 68 68 GLN CA C 13 55.100 0.137 . . . . . . . 282 Q CA . 51334 1 321 . 1 . 1 68 68 GLN CB C 13 29.789 0.137 . . . . . . . 282 Q CB . 51334 1 322 . 1 . 1 68 68 GLN N N 15 123.881 0.015 . . . . . . . 282 Q N . 51334 1 323 . 1 . 1 69 69 ALA H H 1 8.363 0.001 . . . . . . . 283 A HN . 51334 1 324 . 1 . 1 69 69 ALA C C 13 178.201 0.078 . . . . . . . 283 A C . 51334 1 325 . 1 . 1 69 69 ALA CA C 13 52.739 0.137 . . . . . . . 283 A CA . 51334 1 326 . 1 . 1 69 69 ALA CB C 13 19.219 0.137 . . . . . . . 283 A CB . 51334 1 327 . 1 . 1 69 69 ALA N N 15 126.345 0.016 . . . . . . . 283 A N . 51334 1 328 . 1 . 1 70 70 GLY H H 1 8.430 0.001 . . . . . . . 284 G HN . 51334 1 329 . 1 . 1 70 70 GLY C C 13 174.238 0.078 . . . . . . . 284 G C . 51334 1 330 . 1 . 1 70 70 GLY CA C 13 45.146 0.137 . . . . . . . 284 G CA . 51334 1 331 . 1 . 1 70 70 GLY N N 15 108.685 0.002 . . . . . . . 284 G N . 51334 1 332 . 1 . 1 71 71 GLU H H 1 8.331 0.001 . . . . . . . 285 E HN . 51334 1 333 . 1 . 1 71 71 GLU C C 13 176.673 0.078 . . . . . . . 285 E C . 51334 1 334 . 1 . 1 71 71 GLU CA C 13 56.606 0.137 . . . . . . . 285 E CA . 51334 1 335 . 1 . 1 71 71 GLU CB C 13 30.470 0.137 . . . . . . . 285 E CB . 51334 1 336 . 1 . 1 71 71 GLU N N 15 120.638 0.006 . . . . . . . 285 E N . 51334 1 337 . 1 . 1 72 72 SER H H 1 8.436 0.001 . . . . . . . 286 S HN . 51334 1 338 . 1 . 1 72 72 SER C C 13 174.267 0.078 . . . . . . . 286 S C . 51334 1 339 . 1 . 1 72 72 SER CA C 13 58.124 0.137 . . . . . . . 286 S CA . 51334 1 340 . 1 . 1 72 72 SER CB C 13 63.976 0.137 . . . . . . . 286 S CB . 51334 1 341 . 1 . 1 72 72 SER N N 15 116.371 0.011 . . . . . . . 286 S N . 51334 1 342 . 1 . 1 73 73 ASP H H 1 8.448 0.001 . . . . . . . 287 D HN . 51334 1 343 . 1 . 1 73 73 ASP C C 13 176.486 0.078 . . . . . . . 287 D C . 51334 1 344 . 1 . 1 73 73 ASP CA C 13 54.482 0.137 . . . . . . . 287 D CA . 51334 1 345 . 1 . 1 73 73 ASP CB C 13 41.085 0.137 . . . . . . . 287 D CB . 51334 1 346 . 1 . 1 73 73 ASP N N 15 122.790 0.038 . . . . . . . 287 D N . 51334 1 347 . 1 . 1 74 74 THR H H 1 8.128 0.000 . . . . . . . 288 T HN . 51334 1 348 . 1 . 1 74 74 THR C C 13 174.446 0.078 . . . . . . . 288 T C . 51334 1 349 . 1 . 1 74 74 THR CA C 13 61.854 0.137 . . . . . . . 288 T CA . 51334 1 350 . 1 . 1 74 74 THR CB C 13 69.804 0.137 . . . . . . . 288 T CB . 51334 1 351 . 1 . 1 74 74 THR N N 15 113.735 0.004 . . . . . . . 288 T N . 51334 1 352 . 1 . 1 75 75 ASP H H 1 8.341 0.000 . . . . . . . 289 D HN . 51334 1 353 . 1 . 1 75 75 ASP C C 13 176.119 0.078 . . . . . . . 289 D C . 51334 1 354 . 1 . 1 75 75 ASP CA C 13 54.563 0.137 . . . . . . . 289 D CA . 51334 1 355 . 1 . 1 75 75 ASP CB C 13 41.297 0.137 . . . . . . . 289 D CB . 51334 1 356 . 1 . 1 75 75 ASP N N 15 121.639 0.016 . . . . . . . 289 D N . 51334 1 357 . 1 . 1 76 76 SER H H 1 8.155 0.001 . . . . . . . 290 S HN . 51334 1 358 . 1 . 1 76 76 SER C C 13 174.008 0.078 . . . . . . . 290 S C . 51334 1 359 . 1 . 1 76 76 SER CA C 13 58.265 0.137 . . . . . . . 290 S CA . 51334 1 360 . 1 . 1 76 76 SER CB C 13 63.786 0.137 . . . . . . . 290 S CB . 51334 1 361 . 1 . 1 76 76 SER N N 15 115.905 0.012 . . . . . . . 290 S N . 51334 1 362 . 1 . 1 77 77 PHE H H 1 8.273 0.001 . . . . . . . 291 F HN . 51334 1 363 . 1 . 1 77 77 PHE C C 13 175.392 0.078 . . . . . . . 291 F C . 51334 1 364 . 1 . 1 77 77 PHE CA C 13 57.588 0.137 . . . . . . . 291 F CA . 51334 1 365 . 1 . 1 77 77 PHE CB C 13 39.721 0.137 . . . . . . . 291 F CB . 51334 1 366 . 1 . 1 77 77 PHE N N 15 122.489 0.011 . . . . . . . 291 F N . 51334 1 367 . 1 . 1 78 78 GLU H H 1 8.260 0.001 . . . . . . . 292 E HN . 51334 1 368 . 1 . 1 78 78 GLU C C 13 175.740 0.078 . . . . . . . 292 E C . 51334 1 369 . 1 . 1 78 78 GLU CA C 13 56.050 0.137 . . . . . . . 292 E CA . 51334 1 370 . 1 . 1 78 78 GLU CB C 13 30.763 0.137 . . . . . . . 292 E CB . 51334 1 371 . 1 . 1 78 78 GLU N N 15 123.107 0.006 . . . . . . . 292 E N . 51334 1 372 . 1 . 1 79 79 GLU H H 1 8.364 0.001 . . . . . . . 293 E HN . 51334 1 373 . 1 . 1 79 79 GLU C C 13 175.818 0.078 . . . . . . . 293 E C . 51334 1 374 . 1 . 1 79 79 GLU CA C 13 56.101 0.137 . . . . . . . 293 E CA . 51334 1 375 . 1 . 1 79 79 GLU CB C 13 30.764 0.137 . . . . . . . 293 E CB . 51334 1 376 . 1 . 1 79 79 GLU N N 15 122.518 0.035 . . . . . . . 293 E N . 51334 1 377 . 1 . 1 80 80 ASP H H 1 8.561 0.001 . . . . . . . 294 D HN . 51334 1 378 . 1 . 1 80 80 ASP C C 13 174.720 0.078 . . . . . . . 294 D C . 51334 1 379 . 1 . 1 80 80 ASP CA C 13 52.320 0.137 . . . . . . . 294 D CA . 51334 1 380 . 1 . 1 80 80 ASP CB C 13 41.014 0.137 . . . . . . . 294 D CB . 51334 1 381 . 1 . 1 80 80 ASP N N 15 123.687 0.018 . . . . . . . 294 D N . 51334 1 382 . 1 . 1 81 81 PRO C C 13 177.165 0.078 . . . . . . . 295 P C . 51334 1 383 . 1 . 1 81 81 PRO CA C 13 63.336 0.137 . . . . . . . 295 P CA . 51334 1 384 . 1 . 1 81 81 PRO CB C 13 32.243 0.137 . . . . . . . 295 P CB . 51334 1 385 . 1 . 1 82 82 GLU H H 1 8.504 0.000 . . . . . . . 296 E HN . 51334 1 386 . 1 . 1 82 82 GLU C C 13 176.724 0.078 . . . . . . . 296 E C . 51334 1 387 . 1 . 1 82 82 GLU CA C 13 56.745 0.137 . . . . . . . 296 E CA . 51334 1 388 . 1 . 1 82 82 GLU CB C 13 29.983 0.137 . . . . . . . 296 E CB . 51334 1 389 . 1 . 1 82 82 GLU N N 15 120.319 0.020 . . . . . . . 296 E N . 51334 1 390 . 1 . 1 83 83 ILE H H 1 8.002 0.001 . . . . . . . 297 I HN . 51334 1 391 . 1 . 1 83 83 ILE C C 13 176.168 0.078 . . . . . . . 297 I C . 51334 1 392 . 1 . 1 83 83 ILE CA C 13 61.077 0.137 . . . . . . . 297 I CA . 51334 1 393 . 1 . 1 83 83 ILE CB C 13 38.771 0.137 . . . . . . . 297 I CB . 51334 1 394 . 1 . 1 83 83 ILE N N 15 121.683 0.005 . . . . . . . 297 I N . 51334 1 395 . 1 . 1 84 84 SER H H 1 8.354 0.001 . . . . . . . 298 S HN . 51334 1 396 . 1 . 1 84 84 SER C C 13 174.445 0.078 . . . . . . . 298 S C . 51334 1 397 . 1 . 1 84 84 SER CA C 13 58.062 0.137 . . . . . . . 298 S CA . 51334 1 398 . 1 . 1 84 84 SER CB C 13 63.741 0.137 . . . . . . . 298 S CB . 51334 1 399 . 1 . 1 84 84 SER N N 15 119.940 0.002 . . . . . . . 298 S N . 51334 1 400 . 1 . 1 85 85 LEU H H 1 8.359 0.001 . . . . . . . 299 L HN . 51334 1 401 . 1 . 1 85 85 LEU C C 13 176.179 0.078 . . . . . . . 299 L C . 51334 1 402 . 1 . 1 85 85 LEU CA C 13 55.003 0.137 . . . . . . . 299 L CA . 51334 1 403 . 1 . 1 85 85 LEU CB C 13 42.273 0.137 . . . . . . . 299 L CB . 51334 1 404 . 1 . 1 85 85 LEU N N 15 125.686 0.013 . . . . . . . 299 L N . 51334 1 405 . 1 . 1 86 86 ALA H H 1 7.848 0.001 . . . . . . . 300 A HN . 51334 1 406 . 1 . 1 86 86 ALA C C 13 172.522 0.078 . . . . . . . 300 A C . 51334 1 407 . 1 . 1 86 86 ALA CA C 13 53.846 0.137 . . . . . . . 300 A CA . 51334 1 408 . 1 . 1 86 86 ALA CB C 13 20.151 0.137 . . . . . . . 300 A CB . 51334 1 409 . 1 . 1 86 86 ALA N N 15 130.113 0.050 . . . . . . . 300 A N . 51334 1 stop_ save_