################################### # 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 50890 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name MPV17cysfree.str _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' . . . 50890 1 2 '2D 1H-15N TROSY' . . . 50890 1 3 '3D HNCO' . . . 50890 1 5 '3D HNCA' . . . 50890 1 6 '3D HN(CO)CA' . . . 50890 1 7 '3D HNCACB' . . . 50890 1 9 '3D 15N-separated NOESY' . . . 50890 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 . . 50890 1 2 $software_2 . . 50890 1 3 $software_3 . . 50890 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 1 1 MET C C 13 177.767 0.05 . 1 . . . . . 1 M C . 50890 1 2 . 1 . 1 1 1 MET CA C 13 56.587 0.05 . 1 . . . . . 1 M CA . 50890 1 3 . 1 . 1 1 1 MET CB C 13 30.962 0.05 . 1 . . . . . 1 M CB . 50890 1 4 . 1 . 1 2 2 ALA H H 1 8.021 0.02 . 1 . . . . . 2 A H . 50890 1 5 . 1 . 1 2 2 ALA C C 13 180.329 0.05 . 1 . . . . . 2 A C . 50890 1 6 . 1 . 1 2 2 ALA CA C 13 54.546 0.05 . 1 . . . . . 2 A CA . 50890 1 7 . 1 . 1 2 2 ALA CB C 13 17.661 0.05 . 1 . . . . . 2 A CB . 50890 1 8 . 1 . 1 2 2 ALA N N 15 123.292 0.05 . 1 . . . . . 2 A N . 50890 1 9 . 1 . 1 3 3 LEU H H 1 8.040 0.02 . 1 . . . . . 3 L H . 50890 1 10 . 1 . 1 3 3 LEU C C 13 178.209 0.05 . 1 . . . . . 3 L C . 50890 1 11 . 1 . 1 3 3 LEU CA C 13 57.451 0.05 . 1 . . . . . 3 L CA . 50890 1 12 . 1 . 1 3 3 LEU CB C 13 40.774 0.05 . 1 . . . . . 3 L CB . 50890 1 13 . 1 . 1 3 3 LEU N N 15 119.816 0.05 . 1 . . . . . 3 L N . 50890 1 14 . 1 . 1 4 4 TRP H H 1 8.037 0.02 . 1 . . . . . 4 W H . 50890 1 15 . 1 . 1 4 4 TRP C C 13 178.092 0.05 . 1 . . . . . 4 W C . 50890 1 16 . 1 . 1 4 4 TRP CA C 13 59.778 0.05 . 1 . . . . . 4 W CA . 50890 1 17 . 1 . 1 4 4 TRP CB C 13 28.824 0.05 . 1 . . . . . 4 W CB . 50890 1 18 . 1 . 1 4 4 TRP N N 15 119.772 0.05 . 1 . . . . . 4 W N . 50890 1 19 . 1 . 1 5 5 ARG H H 1 8.277 0.02 . 1 . . . . . 5 R H . 50890 1 20 . 1 . 1 5 5 ARG C C 13 179.044 0.05 . 1 . . . . . 5 R C . 50890 1 21 . 1 . 1 5 5 ARG CA C 13 58.920 0.05 . 1 . . . . . 5 R CA . 50890 1 22 . 1 . 1 5 5 ARG CB C 13 28.990 0.05 . 1 . . . . . 5 R CB . 50890 1 23 . 1 . 1 5 5 ARG N N 15 118.197 0.05 . 1 . . . . . 5 R N . 50890 1 24 . 1 . 1 6 6 ALA H H 1 7.878 0.02 . 1 . . . . . 6 A H . 50890 1 25 . 1 . 1 6 6 ALA C C 13 179.555 0.05 . 1 . . . . . 6 A C . 50890 1 26 . 1 . 1 6 6 ALA CA C 13 54.774 0.05 . 1 . . . . . 6 A CA . 50890 1 27 . 1 . 1 6 6 ALA CB C 13 17.296 0.05 . 1 . . . . . 6 A CB . 50890 1 28 . 1 . 1 6 6 ALA N N 15 122.533 0.05 . 1 . . . . . 6 A N . 50890 1 29 . 1 . 1 7 7 TYR H H 1 8.177 0.02 . 1 . . . . . 7 Y H . 50890 1 30 . 1 . 1 7 7 TYR C C 13 176.751 0.05 . 1 . . . . . 7 Y C . 50890 1 31 . 1 . 1 7 7 TYR CA C 13 60.469 0.05 . 1 . . . . . 7 Y CA . 50890 1 32 . 1 . 1 7 7 TYR CB C 13 37.350 0.05 . 1 . . . . . 7 Y CB . 50890 1 33 . 1 . 1 7 7 TYR N N 15 119.793 0.05 . 1 . . . . . 7 Y N . 50890 1 34 . 1 . 1 8 8 GLN H H 1 8.118 0.02 . 1 . . . . . 8 Q H . 50890 1 35 . 1 . 1 8 8 GLN C C 13 178.851 0.05 . 1 . . . . . 8 Q C . 50890 1 36 . 1 . 1 8 8 GLN CA C 13 58.576 0.05 . 1 . . . . . 8 Q CA . 50890 1 37 . 1 . 1 8 8 GLN CB C 13 27.566 0.05 . 1 . . . . . 8 Q CB . 50890 1 38 . 1 . 1 8 8 GLN N N 15 117.912 0.05 . 1 . . . . . 8 Q N . 50890 1 39 . 1 . 1 9 9 ARG H H 1 7.868 0.02 . 1 . . . . . 9 R H . 50890 1 40 . 1 . 1 9 9 ARG C C 13 178.555 0.05 . 1 . . . . . 9 R C . 50890 1 41 . 1 . 1 9 9 ARG CA C 13 58.307 0.05 . 1 . . . . . 9 R CA . 50890 1 42 . 1 . 1 9 9 ARG CB C 13 29.098 0.05 . 1 . . . . . 9 R CB . 50890 1 43 . 1 . 1 9 9 ARG N N 15 118.962 0.05 . 1 . . . . . 9 R N . 50890 1 44 . 1 . 1 10 10 ALA H H 1 7.911 0.02 . 1 . . . . . 10 A H . 50890 1 45 . 1 . 1 10 10 ALA C C 13 179.148 0.05 . 1 . . . . . 10 A C . 50890 1 46 . 1 . 1 10 10 ALA CA C 13 54.285 0.05 . 1 . . . . . 10 A CA . 50890 1 47 . 1 . 1 10 10 ALA CB C 13 17.731 0.05 . 1 . . . . . 10 A CB . 50890 1 48 . 1 . 1 10 10 ALA N N 15 122.278 0.05 . 1 . . . . . 10 A N . 50890 1 49 . 1 . 1 11 11 LEU H H 1 7.862 0.02 . 1 . . . . . 11 L H . 50890 1 50 . 1 . 1 11 11 LEU C C 13 178.222 0.05 . 1 . . . . . 11 L C . 50890 1 51 . 1 . 1 11 11 LEU CA C 13 56.413 0.05 . 1 . . . . . 11 L CA . 50890 1 52 . 1 . 1 11 11 LEU CB C 13 41.243 0.05 . 1 . . . . . 11 L CB . 50890 1 53 . 1 . 1 11 11 LEU N N 15 117.319 0.05 . 1 . . . . . 11 L N . 50890 1 54 . 1 . 1 12 12 ALA H H 1 7.397 0.02 . 1 . . . . . 12 A H . 50890 1 55 . 1 . 1 12 12 ALA C C 13 178.119 0.05 . 1 . . . . . 12 A C . 50890 1 56 . 1 . 1 12 12 ALA CA C 13 53.175 0.05 . 1 . . . . . 12 A CA . 50890 1 57 . 1 . 1 12 12 ALA CB C 13 17.977 0.05 . 1 . . . . . 12 A CB . 50890 1 58 . 1 . 1 12 12 ALA N N 15 119.439 0.05 . 1 . . . . . 12 A N . 50890 1 59 . 1 . 1 13 13 ALA H H 1 7.519 0.02 . 1 . . . . . 13 A H . 50890 1 60 . 1 . 1 13 13 ALA C C 13 176.967 0.05 . 1 . . . . . 13 A C . 50890 1 61 . 1 . 1 13 13 ALA CA C 13 52.004 0.05 . 1 . . . . . 13 A CA . 50890 1 62 . 1 . 1 13 13 ALA CB C 13 18.570 0.05 . 1 . . . . . 13 A CB . 50890 1 63 . 1 . 1 13 13 ALA N N 15 119.424 0.05 . 1 . . . . . 13 A N . 50890 1 64 . 1 . 1 14 14 HIS H H 1 7.633 0.02 . 1 . . . . . 14 H H . 50890 1 65 . 1 . 1 14 14 HIS CA C 13 54.873 0.05 . 1 . . . . . 14 H CA . 50890 1 66 . 1 . 1 14 14 HIS CB C 13 30.734 0.05 . 1 . . . . . 14 H CB . 50890 1 67 . 1 . 1 14 14 HIS N N 15 119.000 0.05 . 1 . . . . . 14 H N . 50890 1 68 . 1 . 1 15 15 PRO C C 13 176.436 0.05 . 1 . . . . . 15 P C . 50890 1 69 . 1 . 1 16 16 TRP H H 1 8.599 0.02 . 1 . . . . . 16 W H . 50890 1 70 . 1 . 1 16 16 TRP C C 13 176.868 0.05 . 1 . . . . . 16 W C . 50890 1 71 . 1 . 1 16 16 TRP CA C 13 57.873 0.05 . 1 . . . . . 16 W CA . 50890 1 72 . 1 . 1 16 16 TRP CB C 13 28.500 0.05 . 1 . . . . . 16 W CB . 50890 1 73 . 1 . 1 16 16 TRP N N 15 121.669 0.05 . 1 . . . . . 16 W N . 50890 1 74 . 1 . 1 17 17 LYS H H 1 8.005 0.02 . 1 . . . . . 17 K H . 50890 1 75 . 1 . 1 17 17 LYS C C 13 177.124 0.05 . 1 . . . . . 17 K C . 50890 1 76 . 1 . 1 17 17 LYS CA C 13 57.879 0.05 . 1 . . . . . 17 K CA . 50890 1 77 . 1 . 1 17 17 LYS CB C 13 31.707 0.05 . 1 . . . . . 17 K CB . 50890 1 78 . 1 . 1 17 17 LYS N N 15 120.808 0.05 . 1 . . . . . 17 K N . 50890 1 79 . 1 . 1 18 18 VAL H H 1 7.728 0.02 . 1 . . . . . 18 V H . 50890 1 80 . 1 . 1 18 18 VAL C C 13 177.194 0.05 . 1 . . . . . 18 V C . 50890 1 81 . 1 . 1 18 18 VAL CA C 13 63.644 0.05 . 1 . . . . . 18 V CA . 50890 1 82 . 1 . 1 18 18 VAL CB C 13 31.449 0.05 . 1 . . . . . 18 V CB . 50890 1 83 . 1 . 1 18 18 VAL N N 15 118.142 0.05 . 1 . . . . . 18 V N . 50890 1 84 . 1 . 1 19 19 GLN H H 1 8.181 0.02 . 1 . . . . . 19 Q H . 50890 1 85 . 1 . 1 19 19 GLN C C 13 177.089 0.05 . 1 . . . . . 19 Q C . 50890 1 86 . 1 . 1 19 19 GLN CA C 13 57.503 0.05 . 1 . . . . . 19 Q CA . 50890 1 87 . 1 . 1 19 19 GLN CB C 13 28.103 0.05 . 1 . . . . . 19 Q CB . 50890 1 88 . 1 . 1 19 19 GLN N N 15 121.867 0.05 . 1 . . . . . 19 Q N . 50890 1 89 . 1 . 1 20 20 VAL H H 1 7.986 0.02 . 1 . . . . . 20 V H . 50890 1 90 . 1 . 1 20 20 VAL C C 13 176.453 0.05 . 1 . . . . . 20 V C . 50890 1 91 . 1 . 1 20 20 VAL CA C 13 64.055 0.05 . 1 . . . . . 20 V CA . 50890 1 92 . 1 . 1 20 20 VAL CB C 13 31.259 0.05 . 1 . . . . . 20 V CB . 50890 1 93 . 1 . 1 20 20 VAL N N 15 118.587 0.05 . 1 . . . . . 20 V N . 50890 1 94 . 1 . 1 21 21 LEU H H 1 7.892 0.02 . 1 . . . . . 21 L H . 50890 1 95 . 1 . 1 21 21 LEU C C 13 177.526 0.05 . 1 . . . . . 21 L C . 50890 1 96 . 1 . 1 21 21 LEU CA C 13 55.717 0.05 . 1 . . . . . 21 L CA . 50890 1 97 . 1 . 1 21 21 LEU CB C 13 40.942 0.05 . 1 . . . . . 21 L CB . 50890 1 98 . 1 . 1 21 21 LEU N N 15 120.661 0.05 . 1 . . . . . 21 L N . 50890 1 99 . 1 . 1 22 22 THR H H 1 7.884 0.02 . 1 . . . . . 22 T H . 50890 1 100 . 1 . 1 22 22 THR C C 13 175.286 0.05 . 1 . . . . . 22 T C . 50890 1 101 . 1 . 1 22 22 THR CA C 13 62.335 0.05 . 1 . . . . . 22 T CA . 50890 1 102 . 1 . 1 22 22 THR CB C 13 69.023 0.05 . 1 . . . . . 22 T CB . 50890 1 103 . 1 . 1 22 22 THR N N 15 112.515 0.05 . 1 . . . . . 22 T N . 50890 1 104 . 1 . 1 23 23 ALA H H 1 8.346 0.02 . 1 . . . . . 23 A H . 50890 1 105 . 1 . 1 23 23 ALA C C 13 178.988 0.05 . 1 . . . . . 23 A C . 50890 1 106 . 1 . 1 23 23 ALA CA C 13 53.973 0.05 . 1 . . . . . 23 A CA . 50890 1 107 . 1 . 1 23 23 ALA CB C 13 17.794 0.05 . 1 . . . . . 23 A CB . 50890 1 108 . 1 . 1 23 23 ALA N N 15 124.963 0.05 . 1 . . . . . 23 A N . 50890 1 109 . 1 . 1 24 24 GLY H H 1 8.388 0.02 . 1 . . . . . 24 G H . 50890 1 110 . 1 . 1 24 24 GLY C C 13 175.375 0.05 . 1 . . . . . 24 G C . 50890 1 111 . 1 . 1 24 24 GLY CA C 13 46.098 0.05 . 1 . . . . . 24 G CA . 50890 1 112 . 1 . 1 24 24 GLY N N 15 105.945 0.05 . 1 . . . . . 24 G N . 50890 1 113 . 1 . 1 25 25 SER H H 1 7.996 0.02 . 1 . . . . . 25 S H . 50890 1 114 . 1 . 1 25 25 SER C C 13 175.777 0.05 . 1 . . . . . 25 S C . 50890 1 115 . 1 . 1 25 25 SER CA C 13 59.862 0.05 . 1 . . . . . 25 S CA . 50890 1 116 . 1 . 1 25 25 SER CB C 13 63.050 0.05 . 1 . . . . . 25 S CB . 50890 1 117 . 1 . 1 25 25 SER N N 15 117.055 0.05 . 1 . . . . . 25 S N . 50890 1 118 . 1 . 1 26 26 LEU H H 1 8.242 0.02 . 1 . . . . . 26 L H . 50890 1 119 . 1 . 1 26 26 LEU C C 13 177.962 0.05 . 1 . . . . . 26 L C . 50890 1 120 . 1 . 1 26 26 LEU CA C 13 56.322 0.05 . 1 . . . . . 26 L CA . 50890 1 121 . 1 . 1 26 26 LEU CB C 13 40.813 0.05 . 1 . . . . . 26 L CB . 50890 1 122 . 1 . 1 26 26 LEU N N 15 122.419 0.05 . 1 . . . . . 26 L N . 50890 1 123 . 1 . 1 27 27 MET H H 1 7.992 0.02 . 1 . . . . . 27 M H . 50890 1 124 . 1 . 1 27 27 MET C C 13 177.378 0.05 . 1 . . . . . 27 M C . 50890 1 125 . 1 . 1 27 27 MET CA C 13 56.920 0.05 . 1 . . . . . 27 M CA . 50890 1 126 . 1 . 1 27 27 MET CB C 13 31.709 0.05 . 1 . . . . . 27 M CB . 50890 1 127 . 1 . 1 27 27 MET N N 15 117.138 0.05 . 1 . . . . . 27 M N . 50890 1 128 . 1 . 1 28 28 GLY H H 1 8.151 0.02 . 1 . . . . . 28 G H . 50890 1 129 . 1 . 1 28 28 GLY C C 13 176.120 0.05 . 1 . . . . . 28 G C . 50890 1 130 . 1 . 1 28 28 GLY CA C 13 45.839 0.05 . 1 . . . . . 28 G CA . 50890 1 131 . 1 . 1 28 28 GLY N N 15 107.961 0.05 . 1 . . . . . 28 G N . 50890 1 132 . 1 . 1 29 29 LEU H H 1 8.005 0.02 . 1 . . . . . 29 L H . 50890 1 133 . 1 . 1 29 29 LEU C C 13 178.512 0.05 . 1 . . . . . 29 L C . 50890 1 134 . 1 . 1 29 29 LEU CA C 13 56.883 0.05 . 1 . . . . . 29 L CA . 50890 1 135 . 1 . 1 29 29 LEU CB C 13 41.037 0.05 . 1 . . . . . 29 L CB . 50890 1 136 . 1 . 1 29 29 LEU N N 15 121.534 0.05 . 1 . . . . . 29 L N . 50890 1 137 . 1 . 1 30 30 GLY H H 1 8.530 0.02 . 1 . . . . . 30 G H . 50890 1 138 . 1 . 1 30 30 GLY C C 13 175.569 0.05 . 1 . . . . . 30 G C . 50890 1 139 . 1 . 1 30 30 GLY CA C 13 47.166 0.05 . 1 . . . . . 30 G CA . 50890 1 140 . 1 . 1 30 30 GLY N N 15 106.853 0.05 . 1 . . . . . 30 G N . 50890 1 141 . 1 . 1 31 31 ASP H H 1 7.902 0.02 . 1 . . . . . 31 D H . 50890 1 142 . 1 . 1 31 31 ASP C C 13 178.276 0.05 . 1 . . . . . 31 D C . 50890 1 143 . 1 . 1 31 31 ASP CA C 13 56.805 0.05 . 1 . . . . . 31 D CA . 50890 1 144 . 1 . 1 31 31 ASP CB C 13 40.295 0.05 . 1 . . . . . 31 D CB . 50890 1 145 . 1 . 1 31 31 ASP N N 15 122.067 0.05 . 1 . . . . . 31 D N . 50890 1 146 . 1 . 1 32 32 ILE H H 1 7.598 0.02 . 1 . . . . . 32 I H . 50890 1 147 . 1 . 1 32 32 ILE C C 13 178.199 0.05 . 1 . . . . . 32 I C . 50890 1 148 . 1 . 1 32 32 ILE CA C 13 63.984 0.05 . 1 . . . . . 32 I CA . 50890 1 149 . 1 . 1 32 32 ILE CB C 13 37.330 0.05 . 1 . . . . . 32 I CB . 50890 1 150 . 1 . 1 32 32 ILE N N 15 120.114 0.05 . 1 . . . . . 32 I N . 50890 1 151 . 1 . 1 33 33 ILE H H 1 8.077 0.02 . 1 . . . . . 33 I H . 50890 1 152 . 1 . 1 33 33 ILE C C 13 177.484 0.05 . 1 . . . . . 33 I C . 50890 1 153 . 1 . 1 33 33 ILE CA C 13 64.487 0.05 . 1 . . . . . 33 I CA . 50890 1 154 . 1 . 1 33 33 ILE CB C 13 36.842 0.05 . 1 . . . . . 33 I CB . 50890 1 155 . 1 . 1 33 33 ILE N N 15 119.588 0.05 . 1 . . . . . 33 I N . 50890 1 156 . 1 . 1 34 34 SER H H 1 8.189 0.02 . 1 . . . . . 34 S H . 50890 1 157 . 1 . 1 34 34 SER C C 13 176.486 0.05 . 1 . . . . . 34 S C . 50890 1 158 . 1 . 1 34 34 SER CA C 13 61.518 0.05 . 1 . . . . . 34 S CA . 50890 1 159 . 1 . 1 34 34 SER CB C 13 62.477 0.05 . 1 . . . . . 34 S CB . 50890 1 160 . 1 . 1 34 34 SER N N 15 114.973 0.05 . 1 . . . . . 34 S N . 50890 1 161 . 1 . 1 35 35 GLN H H 1 7.976 0.02 . 1 . . . . . 35 Q H . 50890 1 162 . 1 . 1 35 35 GLN C C 13 178.095 0.05 . 1 . . . . . 35 Q C . 50890 1 163 . 1 . 1 35 35 GLN CA C 13 58.002 0.05 . 1 . . . . . 35 Q CA . 50890 1 164 . 1 . 1 35 35 GLN CB C 13 27.792 0.05 . 1 . . . . . 35 Q CB . 50890 1 165 . 1 . 1 35 35 GLN N N 15 119.683 0.05 . 1 . . . . . 35 Q N . 50890 1 166 . 1 . 1 36 36 GLN H H 1 7.934 0.02 . 1 . . . . . 36 Q H . 50890 1 167 . 1 . 1 36 36 GLN C C 13 177.611 0.05 . 1 . . . . . 36 Q C . 50890 1 168 . 1 . 1 36 36 GLN CA C 13 56.862 0.05 . 1 . . . . . 36 Q CA . 50890 1 169 . 1 . 1 36 36 GLN CB C 13 27.738 0.05 . 1 . . . . . 36 Q CB . 50890 1 170 . 1 . 1 36 36 GLN N N 15 116.993 0.05 . 1 . . . . . 36 Q N . 50890 1 171 . 1 . 1 37 37 LEU H H 1 7.911 0.02 . 1 . . . . . 37 L H . 50890 1 172 . 1 . 1 37 37 LEU C C 13 177.916 0.05 . 1 . . . . . 37 L C . 50890 1 173 . 1 . 1 37 37 LEU CA C 13 56.414 0.05 . 1 . . . . . 37 L CA . 50890 1 174 . 1 . 1 37 37 LEU CB C 13 41.215 0.05 . 1 . . . . . 37 L CB . 50890 1 175 . 1 . 1 37 37 LEU N N 15 118.821 0.05 . 1 . . . . . 37 L N . 50890 1 176 . 1 . 1 38 38 VAL H H 1 7.648 0.02 . 1 . . . . . 38 V H . 50890 1 177 . 1 . 1 38 38 VAL C C 13 177.405 0.05 . 1 . . . . . 38 V C . 50890 1 178 . 1 . 1 38 38 VAL CA C 13 64.028 0.05 . 1 . . . . . 38 V CA . 50890 1 179 . 1 . 1 38 38 VAL CB C 13 31.484 0.05 . 1 . . . . . 38 V CB . 50890 1 180 . 1 . 1 38 38 VAL N N 15 118.081 0.05 . 1 . . . . . 38 V N . 50890 1 181 . 1 . 1 39 39 GLU H H 1 8.074 0.02 . 1 . . . . . 39 E H . 50890 1 182 . 1 . 1 39 39 GLU C C 13 177.619 0.05 . 1 . . . . . 39 E C . 50890 1 183 . 1 . 1 39 39 GLU CA C 13 57.444 0.05 . 1 . . . . . 39 E CA . 50890 1 184 . 1 . 1 39 39 GLU CB C 13 29.183 0.05 . 1 . . . . . 39 E CB . 50890 1 185 . 1 . 1 39 39 GLU N N 15 121.494 0.05 . 1 . . . . . 39 E N . 50890 1 186 . 1 . 1 40 40 ARG H H 1 8.024 0.02 . 1 . . . . . 40 R H . 50890 1 187 . 1 . 1 40 40 ARG C C 13 176.885 0.05 . 1 . . . . . 40 R C . 50890 1 188 . 1 . 1 40 40 ARG CA C 13 56.336 0.05 . 1 . . . . . 40 R CA . 50890 1 189 . 1 . 1 40 40 ARG CB C 13 29.243 0.05 . 1 . . . . . 40 R CB . 50890 1 190 . 1 . 1 40 40 ARG N N 15 119.998 0.05 . 1 . . . . . 40 R N . 50890 1 191 . 1 . 1 41 41 ARG H H 1 8.043 0.02 . 1 . . . . . 41 R H . 50890 1 192 . 1 . 1 41 41 ARG C C 13 177.091 0.05 . 1 . . . . . 41 R C . 50890 1 193 . 1 . 1 41 41 ARG CA C 13 56.474 0.05 . 1 . . . . . 41 R CA . 50890 1 194 . 1 . 1 41 41 ARG CB C 13 29.585 0.05 . 1 . . . . . 41 R CB . 50890 1 195 . 1 . 1 41 41 ARG N N 15 120.459 0.05 . 1 . . . . . 41 R N . 50890 1 196 . 1 . 1 42 42 GLY H H 1 8.182 0.02 . 1 . . . . . 42 G H . 50890 1 197 . 1 . 1 42 42 GLY C C 13 174.434 0.05 . 1 . . . . . 42 G C . 50890 1 198 . 1 . 1 42 42 GLY CA C 13 45.279 0.05 . 1 . . . . . 42 G CA . 50890 1 199 . 1 . 1 42 42 GLY N N 15 108.884 0.05 . 1 . . . . . 42 G N . 50890 1 200 . 1 . 1 43 43 LEU H H 1 7.955 0.02 . 1 . . . . . 43 L H . 50890 1 201 . 1 . 1 43 43 LEU C C 13 177.674 0.05 . 1 . . . . . 43 L C . 50890 1 202 . 1 . 1 43 43 LEU CA C 13 55.176 0.05 . 1 . . . . . 43 L CA . 50890 1 203 . 1 . 1 43 43 LEU CB C 13 41.347 0.05 . 1 . . . . . 43 L CB . 50890 1 204 . 1 . 1 43 43 LEU N N 15 121.540 0.05 . 1 . . . . . 43 L N . 50890 1 205 . 1 . 1 44 44 GLN H H 1 8.262 0.02 . 1 . . . . . 44 Q H . 50890 1 206 . 1 . 1 44 44 GLN C C 13 176.193 0.05 . 1 . . . . . 44 Q C . 50890 1 207 . 1 . 1 44 44 GLN CA C 13 55.915 0.05 . 1 . . . . . 44 Q CA . 50890 1 208 . 1 . 1 44 44 GLN CB C 13 28.560 0.05 . 1 . . . . . 44 Q CB . 50890 1 209 . 1 . 1 44 44 GLN N N 15 120.476 0.05 . 1 . . . . . 44 Q N . 50890 1 210 . 1 . 1 45 45 GLU H H 1 8.304 0.02 . 1 . . . . . 45 E H . 50890 1 211 . 1 . 1 45 45 GLU CA C 13 58.973 0.05 . 1 . . . . . 45 E CA . 50890 1 212 . 1 . 1 45 45 GLU CB C 13 28.796 0.05 . 1 . . . . . 45 E CB . 50890 1 213 . 1 . 1 45 45 GLU N N 15 121.731 0.05 . 1 . . . . . 45 E N . 50890 1 214 . 1 . 1 48 48 ARG C C 13 175.436 0.05 . 1 . . . . . 48 R C . 50890 1 215 . 1 . 1 48 48 ARG CA C 13 61.489 0.05 . 1 . . . . . 48 R CA . 50890 1 216 . 1 . 1 48 48 ARG CB C 13 32.341 0.05 . 1 . . . . . 48 R CB . 50890 1 217 . 1 . 1 49 49 GLY H H 1 7.852 0.02 . 1 . . . . . 49 G H . 50890 1 218 . 1 . 1 49 49 GLY CA C 13 43.526 0.05 . 1 . . . . . 49 G CA . 50890 1 219 . 1 . 1 49 49 GLY N N 15 109.964 0.05 . 1 . . . . . 49 G N . 50890 1 220 . 1 . 1 51 51 THR C C 13 175.079 0.05 . 1 . . . . . 51 T C . 50890 1 221 . 1 . 1 51 51 THR CA C 13 63.601 0.05 . 1 . . . . . 51 T CA . 50890 1 222 . 1 . 1 52 52 LEU H H 1 8.343 0.02 . 1 . . . . . 52 L H . 50890 1 223 . 1 . 1 52 52 LEU C C 13 177.637 0.05 . 1 . . . . . 52 L C . 50890 1 224 . 1 . 1 52 52 LEU CA C 13 55.872 0.05 . 1 . . . . . 52 L CA . 50890 1 225 . 1 . 1 52 52 LEU CB C 13 40.836 0.05 . 1 . . . . . 52 L CB . 50890 1 226 . 1 . 1 52 52 LEU N N 15 123.534 0.05 . 1 . . . . . 52 L N . 50890 1 227 . 1 . 1 53 53 THR H H 1 7.909 0.02 . 1 . . . . . 53 T H . 50890 1 228 . 1 . 1 53 53 THR C C 13 175.369 0.05 . 1 . . . . . 53 T C . 50890 1 229 . 1 . 1 53 53 THR CA C 13 63.069 0.05 . 1 . . . . . 53 T CA . 50890 1 230 . 1 . 1 53 53 THR CB C 13 68.929 0.05 . 1 . . . . . 53 T CB . 50890 1 231 . 1 . 1 53 53 THR N N 15 115.077 0.05 . 1 . . . . . 53 T N . 50890 1 232 . 1 . 1 54 54 MET H H 1 8.383 0.02 . 1 . . . . . 54 M H . 50890 1 233 . 1 . 1 54 54 MET C C 13 177.388 0.05 . 1 . . . . . 54 M C . 50890 1 234 . 1 . 1 54 54 MET CA C 13 57.319 0.05 . 1 . . . . . 54 M CA . 50890 1 235 . 1 . 1 54 54 MET CB C 13 31.585 0.05 . 1 . . . . . 54 M CB . 50890 1 236 . 1 . 1 54 54 MET N N 15 121.363 0.05 . 1 . . . . . 54 M N . 50890 1 237 . 1 . 1 55 55 VAL H H 1 7.937 0.02 . 1 . . . . . 55 V H . 50890 1 238 . 1 . 1 55 55 VAL C C 13 176.729 0.05 . 1 . . . . . 55 V C . 50890 1 239 . 1 . 1 55 55 VAL CA C 13 64.250 0.05 . 1 . . . . . 55 V CA . 50890 1 240 . 1 . 1 55 55 VAL CB C 13 31.031 0.05 . 1 . . . . . 55 V CB . 50890 1 241 . 1 . 1 55 55 VAL N N 15 118.413 0.05 . 1 . . . . . 55 V N . 50890 1 242 . 1 . 1 56 56 SER H H 1 7.967 0.02 . 1 . . . . . 56 S H . 50890 1 243 . 1 . 1 56 56 SER C C 13 175.939 0.05 . 1 . . . . . 56 S C . 50890 1 244 . 1 . 1 56 56 SER CA C 13 59.863 0.05 . 1 . . . . . 56 S CA . 50890 1 245 . 1 . 1 56 56 SER CB C 13 62.796 0.05 . 1 . . . . . 56 S CB . 50890 1 246 . 1 . 1 56 56 SER N N 15 116.788 0.05 . 1 . . . . . 56 S N . 50890 1 247 . 1 . 1 57 57 LEU H H 1 8.061 0.02 . 1 . . . . . 57 L H . 50890 1 248 . 1 . 1 57 57 LEU C C 13 178.514 0.05 . 1 . . . . . 57 L C . 50890 1 249 . 1 . 1 57 57 LEU CA C 13 56.203 0.05 . 1 . . . . . 57 L CA . 50890 1 250 . 1 . 1 57 57 LEU CB C 13 41.322 0.05 . 1 . . . . . 57 L CB . 50890 1 251 . 1 . 1 57 57 LEU N N 15 123.072 0.05 . 1 . . . . . 57 L N . 50890 1 252 . 1 . 1 58 58 GLY H H 1 8.247 0.02 . 1 . . . . . 58 G H . 50890 1 253 . 1 . 1 58 58 GLY C C 13 174.537 0.05 . 1 . . . . . 58 G C . 50890 1 254 . 1 . 1 58 58 GLY CA C 13 46.031 0.05 . 1 . . . . . 58 G CA . 50890 1 255 . 1 . 1 58 58 GLY N N 15 106.943 0.05 . 1 . . . . . 58 G N . 50890 1 256 . 1 . 1 59 59 ALA H H 1 8.234 0.02 . 1 . . . . . 59 A H . 50890 1 257 . 1 . 1 59 59 ALA C C 13 178.973 0.05 . 1 . . . . . 59 A C . 50890 1 258 . 1 . 1 59 59 ALA CA C 13 53.682 0.05 . 1 . . . . . 59 A CA . 50890 1 259 . 1 . 1 59 59 ALA CB C 13 17.969 0.05 . 1 . . . . . 59 A CB . 50890 1 260 . 1 . 1 59 59 ALA N N 15 123.440 0.05 . 1 . . . . . 59 A N . 50890 1 261 . 1 . 1 60 60 GLY H H 1 8.188 0.02 . 1 . . . . . 60 G H . 50890 1 262 . 1 . 1 60 60 GLY C C 13 174.435 0.05 . 1 . . . . . 60 G C . 50890 1 263 . 1 . 1 60 60 GLY CA C 13 45.566 0.05 . 1 . . . . . 60 G CA . 50890 1 264 . 1 . 1 60 60 GLY N N 15 106.029 0.05 . 1 . . . . . 60 G N . 50890 1 265 . 1 . 1 61 61 PHE H H 1 7.851 0.02 . 1 . . . . . 61 F H . 50890 1 266 . 1 . 1 61 61 PHE C C 13 175.652 0.05 . 1 . . . . . 61 F C . 50890 1 267 . 1 . 1 61 61 PHE CA C 13 58.572 0.05 . 1 . . . . . 61 F CA . 50890 1 268 . 1 . 1 61 61 PHE CB C 13 39.377 0.05 . 1 . . . . . 61 F CB . 50890 1 269 . 1 . 1 61 61 PHE N N 15 119.062 0.05 . 1 . . . . . 61 F N . 50890 1 270 . 1 . 1 62 62 VAL H H 1 7.766 0.02 . 1 . . . . . 62 V H . 50890 1 271 . 1 . 1 62 62 VAL C C 13 176.483 0.05 . 1 . . . . . 62 V C . 50890 1 272 . 1 . 1 62 62 VAL CA C 13 63.338 0.05 . 1 . . . . . 62 V CA . 50890 1 273 . 1 . 1 62 62 VAL CB C 13 31.656 0.05 . 1 . . . . . 62 V CB . 50890 1 274 . 1 . 1 62 62 VAL N N 15 116.780 0.05 . 1 . . . . . 62 V N . 50890 1 275 . 1 . 1 63 63 GLY H H 1 8.136 0.02 . 1 . . . . . 63 G H . 50890 1 276 . 1 . 1 63 63 GLY CA C 13 46.476 0.05 . 1 . . . . . 63 G CA . 50890 1 277 . 1 . 1 63 63 GLY N N 15 109.367 0.05 . 1 . . . . . 63 G N . 50890 1 278 . 1 . 1 64 64 PRO C C 13 178.221 0.05 . 1 . . . . . 64 P C . 50890 1 279 . 1 . 1 64 64 PRO CA C 13 63.953 0.05 . 1 . . . . . 64 P CA . 50890 1 280 . 1 . 1 64 64 PRO CB C 13 29.624 0.05 . 1 . . . . . 64 P CB . 50890 1 281 . 1 . 1 65 65 VAL H H 1 7.635 0.02 . 1 . . . . . 65 V H . 50890 1 282 . 1 . 1 65 65 VAL C C 13 177.053 0.05 . 1 . . . . . 65 V C . 50890 1 283 . 1 . 1 65 65 VAL CA C 13 63.910 0.05 . 1 . . . . . 65 V CA . 50890 1 284 . 1 . 1 65 65 VAL CB C 13 31.313 0.05 . 1 . . . . . 65 V CB . 50890 1 285 . 1 . 1 65 65 VAL N N 15 117.905 0.05 . 1 . . . . . 65 V N . 50890 1 286 . 1 . 1 66 66 VAL H H 1 7.910 0.02 . 1 . . . . . 66 V H . 50890 1 287 . 1 . 1 66 66 VAL C C 13 177.209 0.05 . 1 . . . . . 66 V C . 50890 1 288 . 1 . 1 66 66 VAL CA C 13 63.774 0.05 . 1 . . . . . 66 V CA . 50890 1 289 . 1 . 1 66 66 VAL CB C 13 30.968 0.05 . 1 . . . . . 66 V CB . 50890 1 290 . 1 . 1 66 66 VAL N N 15 119.118 0.05 . 1 . . . . . 66 V N . 50890 1 291 . 1 . 1 67 67 GLY H H 1 8.280 0.02 . 1 . . . . . 67 G H . 50890 1 292 . 1 . 1 67 67 GLY C C 13 175.692 0.05 . 1 . . . . . 67 G C . 50890 1 293 . 1 . 1 67 67 GLY CA C 13 45.992 0.05 . 1 . . . . . 67 G CA . 50890 1 294 . 1 . 1 67 67 GLY N N 15 108.658 0.05 . 1 . . . . . 67 G N . 50890 1 295 . 1 . 1 68 68 GLY H H 1 7.969 0.02 . 1 . . . . . 68 G H . 50890 1 296 . 1 . 1 68 68 GLY C C 13 175.569 0.05 . 1 . . . . . 68 G C . 50890 1 297 . 1 . 1 68 68 GLY CA C 13 45.710 0.05 . 1 . . . . . 68 G CA . 50890 1 298 . 1 . 1 68 68 GLY N N 15 109.084 0.05 . 1 . . . . . 68 G N . 50890 1 299 . 1 . 1 69 69 TRP H H 1 8.154 0.02 . 1 . . . . . 69 W H . 50890 1 300 . 1 . 1 69 69 TRP C C 13 177.517 0.05 . 1 . . . . . 69 W C . 50890 1 301 . 1 . 1 69 69 TRP CA C 13 58.921 0.05 . 1 . . . . . 69 W CA . 50890 1 302 . 1 . 1 69 69 TRP CB C 13 28.412 0.05 . 1 . . . . . 69 W CB . 50890 1 303 . 1 . 1 69 69 TRP N N 15 122.287 0.05 . 1 . . . . . 69 W N . 50890 1 304 . 1 . 1 70 70 TYR H H 1 7.885 0.02 . 1 . . . . . 70 Y H . 50890 1 305 . 1 . 1 70 70 TYR C C 13 177.046 0.05 . 1 . . . . . 70 Y C . 50890 1 306 . 1 . 1 70 70 TYR CA C 13 60.538 0.05 . 1 . . . . . 70 Y CA . 50890 1 307 . 1 . 1 70 70 TYR CB C 13 36.856 0.05 . 1 . . . . . 70 Y CB . 50890 1 308 . 1 . 1 70 70 TYR N N 15 118.819 0.05 . 1 . . . . . 70 Y N . 50890 1 309 . 1 . 1 71 71 LYS H H 1 7.516 0.02 . 1 . . . . . 71 K H . 50890 1 310 . 1 . 1 71 71 LYS C C 13 178.772 0.05 . 1 . . . . . 71 K C . 50890 1 311 . 1 . 1 71 71 LYS CA C 13 57.990 0.05 . 1 . . . . . 71 K CA . 50890 1 312 . 1 . 1 71 71 LYS CB C 13 31.041 0.05 . 1 . . . . . 71 K CB . 50890 1 313 . 1 . 1 71 71 LYS N N 15 118.302 0.05 . 1 . . . . . 71 K N . 50890 1 314 . 1 . 1 72 72 VAL H H 1 7.498 0.02 . 1 . . . . . 72 V H . 50890 1 315 . 1 . 1 72 72 VAL C C 13 177.154 0.05 . 1 . . . . . 72 V C . 50890 1 316 . 1 . 1 72 72 VAL CA C 13 64.531 0.05 . 1 . . . . . 72 V CA . 50890 1 317 . 1 . 1 72 72 VAL CB C 13 30.996 0.05 . 1 . . . . . 72 V CB . 50890 1 318 . 1 . 1 72 72 VAL N N 15 118.066 0.05 . 1 . . . . . 72 V N . 50890 1 319 . 1 . 1 73 73 LEU H H 1 7.646 0.02 . 1 . . . . . 73 L H . 50890 1 320 . 1 . 1 73 73 LEU C C 13 177.986 0.05 . 1 . . . . . 73 L C . 50890 1 321 . 1 . 1 73 73 LEU CA C 13 56.939 0.05 . 1 . . . . . 73 L CA . 50890 1 322 . 1 . 1 73 73 LEU CB C 13 40.737 0.05 . 1 . . . . . 73 L CB . 50890 1 323 . 1 . 1 73 73 LEU N N 15 119.090 0.05 . 1 . . . . . 73 L N . 50890 1 324 . 1 . 1 74 74 ASP H H 1 7.861 0.02 . 1 . . . . . 74 D H . 50890 1 325 . 1 . 1 74 74 ASP C C 13 177.182 0.05 . 1 . . . . . 74 D C . 50890 1 326 . 1 . 1 74 74 ASP CA C 13 56.266 0.05 . 1 . . . . . 74 D CA . 50890 1 327 . 1 . 1 74 74 ASP CB C 13 40.912 0.05 . 1 . . . . . 74 D CB . 50890 1 328 . 1 . 1 74 74 ASP N N 15 117.908 0.05 . 1 . . . . . 74 D N . 50890 1 329 . 1 . 1 75 75 ARG H H 1 7.424 0.02 . 1 . . . . . 75 R H . 50890 1 330 . 1 . 1 75 75 ARG C C 13 176.767 0.05 . 1 . . . . . 75 R C . 50890 1 331 . 1 . 1 75 75 ARG CA C 13 56.854 0.05 . 1 . . . . . 75 R CA . 50890 1 332 . 1 . 1 75 75 ARG CB C 13 29.098 0.05 . 1 . . . . . 75 R CB . 50890 1 333 . 1 . 1 75 75 ARG N N 15 116.020 0.05 . 1 . . . . . 75 R N . 50890 1 334 . 1 . 1 76 76 PHE H H 1 7.697 0.02 . 1 . . . . . 76 F H . 50890 1 335 . 1 . 1 76 76 PHE C C 13 174.529 0.05 . 1 . . . . . 76 F C . 50890 1 336 . 1 . 1 76 76 PHE CA C 13 58.140 0.05 . 1 . . . . . 76 F CA . 50890 1 337 . 1 . 1 76 76 PHE CB C 13 40.048 0.05 . 1 . . . . . 76 F CB . 50890 1 338 . 1 . 1 76 76 PHE N N 15 116.757 0.05 . 1 . . . . . 76 F N . 50890 1 339 . 1 . 1 77 77 ILE H H 1 7.604 0.02 . 1 . . . . . 77 I H . 50890 1 340 . 1 . 1 77 77 ILE CA C 13 58.259 0.05 . 1 . . . . . 77 I CA . 50890 1 341 . 1 . 1 77 77 ILE CB C 13 37.345 0.05 . 1 . . . . . 77 I CB . 50890 1 342 . 1 . 1 77 77 ILE N N 15 118.826 0.05 . 1 . . . . . 77 I N . 50890 1 343 . 1 . 1 78 78 PRO C C 13 177.235 0.05 . 1 . . . . . 78 P C . 50890 1 344 . 1 . 1 78 78 PRO CA C 13 62.718 0.05 . 1 . . . . . 78 P CA . 50890 1 345 . 1 . 1 78 78 PRO CB C 13 31.294 0.05 . 1 . . . . . 78 P CB . 50890 1 346 . 1 . 1 79 79 GLY H H 1 8.495 0.02 . 1 . . . . . 79 G H . 50890 1 347 . 1 . 1 79 79 GLY C C 13 176.686 0.05 . 1 . . . . . 79 G C . 50890 1 348 . 1 . 1 79 79 GLY CA C 13 44.938 0.05 . 1 . . . . . 79 G CA . 50890 1 349 . 1 . 1 79 79 GLY N N 15 108.227 0.05 . 1 . . . . . 79 G N . 50890 1 350 . 1 . 1 80 80 THR H H 1 7.553 0.02 . 1 . . . . . 80 T H . 50890 1 351 . 1 . 1 80 80 THR CA C 13 62.766 0.05 . 1 . . . . . 80 T CA . 50890 1 352 . 1 . 1 80 80 THR CB C 13 70.359 0.05 . 1 . . . . . 80 T CB . 50890 1 353 . 1 . 1 80 80 THR N N 15 119.192 0.05 . 1 . . . . . 80 T N . 50890 1 354 . 1 . 1 82 82 LYS C C 13 178.034 0.05 . 1 . . . . . 82 K C . 50890 1 355 . 1 . 1 82 82 LYS CA C 13 57.922 0.05 . 1 . . . . . 82 K CA . 50890 1 356 . 1 . 1 82 82 LYS CB C 13 31.718 0.05 . 1 . . . . . 82 K CB . 50890 1 357 . 1 . 1 83 83 VAL H H 1 8.123 0.02 . 1 . . . . . 83 V H . 50890 1 358 . 1 . 1 83 83 VAL C C 13 177.331 0.05 . 1 . . . . . 83 V C . 50890 1 359 . 1 . 1 83 83 VAL CA C 13 66.055 0.05 . 1 . . . . . 83 V CA . 50890 1 360 . 1 . 1 83 83 VAL CB C 13 30.533 0.05 . 1 . . . . . 83 V CB . 50890 1 361 . 1 . 1 83 83 VAL N N 15 119.444 0.05 . 1 . . . . . 83 V N . 50890 1 362 . 1 . 1 84 84 ASP H H 1 8.055 0.02 . 1 . . . . . 84 D H . 50890 1 363 . 1 . 1 84 84 ASP C C 13 178.570 0.05 . 1 . . . . . 84 D C . 50890 1 364 . 1 . 1 84 84 ASP CA C 13 57.157 0.05 . 1 . . . . . 84 D CA . 50890 1 365 . 1 . 1 84 84 ASP CB C 13 40.017 0.05 . 1 . . . . . 84 D CB . 50890 1 366 . 1 . 1 84 84 ASP N N 15 120.423 0.05 . 1 . . . . . 84 D N . 50890 1 367 . 1 . 1 85 85 ALA H H 1 7.740 0.02 . 1 . . . . . 85 A H . 50890 1 368 . 1 . 1 85 85 ALA C C 13 180.315 0.05 . 1 . . . . . 85 A C . 50890 1 369 . 1 . 1 85 85 ALA CA C 13 54.513 0.05 . 1 . . . . . 85 A CA . 50890 1 370 . 1 . 1 85 85 ALA CB C 13 17.640 0.05 . 1 . . . . . 85 A CB . 50890 1 371 . 1 . 1 85 85 ALA N N 15 122.248 0.05 . 1 . . . . . 85 A N . 50890 1 372 . 1 . 1 86 86 LEU H H 1 7.939 0.02 . 1 . . . . . 86 L H . 50890 1 373 . 1 . 1 86 86 LEU C C 13 178.374 0.05 . 1 . . . . . 86 L C . 50890 1 374 . 1 . 1 86 86 LEU CA C 13 57.453 0.05 . 1 . . . . . 86 L CA . 50890 1 375 . 1 . 1 86 86 LEU CB C 13 40.895 0.05 . 1 . . . . . 86 L CB . 50890 1 376 . 1 . 1 86 86 LEU N N 15 120.044 0.05 . 1 . . . . . 86 L N . 50890 1 377 . 1 . 1 87 87 LYS H H 1 8.317 0.02 . 1 . . . . . 87 K H . 50890 1 378 . 1 . 1 87 87 LYS C C 13 178.230 0.05 . 1 . . . . . 87 K C . 50890 1 379 . 1 . 1 87 87 LYS CA C 13 60.183 0.05 . 1 . . . . . 87 K CA . 50890 1 380 . 1 . 1 87 87 LYS CB C 13 31.494 0.05 . 1 . . . . . 87 K CB . 50890 1 381 . 1 . 1 87 87 LYS N N 15 118.979 0.05 . 1 . . . . . 87 K N . 50890 1 382 . 1 . 1 88 88 LYS H H 1 7.709 0.02 . 1 . . . . . 88 K H . 50890 1 383 . 1 . 1 88 88 LYS C C 13 178.291 0.05 . 1 . . . . . 88 K C . 50890 1 384 . 1 . 1 88 88 LYS CA C 13 58.825 0.05 . 1 . . . . . 88 K CA . 50890 1 385 . 1 . 1 88 88 LYS CB C 13 31.471 0.05 . 1 . . . . . 88 K CB . 50890 1 386 . 1 . 1 88 88 LYS N N 15 118.028 0.05 . 1 . . . . . 88 K N . 50890 1 387 . 1 . 1 89 89 MET H H 1 7.707 0.02 . 1 . . . . . 89 M H . 50890 1 388 . 1 . 1 89 89 MET C C 13 177.892 0.05 . 1 . . . . . 89 M C . 50890 1 389 . 1 . 1 89 89 MET CA C 13 58.261 0.05 . 1 . . . . . 89 M CA . 50890 1 390 . 1 . 1 89 89 MET CB C 13 32.464 0.05 . 1 . . . . . 89 M CB . 50890 1 391 . 1 . 1 89 89 MET N N 15 117.717 0.05 . 1 . . . . . 89 M N . 50890 1 392 . 1 . 1 90 90 LEU H H 1 7.875 0.02 . 1 . . . . . 90 L H . 50890 1 393 . 1 . 1 90 90 LEU C C 13 177.939 0.05 . 1 . . . . . 90 L C . 50890 1 394 . 1 . 1 90 90 LEU CA C 13 56.802 0.05 . 1 . . . . . 90 L CA . 50890 1 395 . 1 . 1 90 90 LEU CB C 13 41.282 0.05 . 1 . . . . . 90 L CB . 50890 1 396 . 1 . 1 90 90 LEU N N 15 117.656 0.05 . 1 . . . . . 90 L N . 50890 1 397 . 1 . 1 91 91 LEU H H 1 7.870 0.02 . 1 . . . . . 91 L H . 50890 1 398 . 1 . 1 91 91 LEU C C 13 178.543 0.05 . 1 . . . . . 91 L C . 50890 1 399 . 1 . 1 91 91 LEU CA C 13 55.998 0.05 . 1 . . . . . 91 L CA . 50890 1 400 . 1 . 1 91 91 LEU CB C 13 41.282 0.05 . 1 . . . . . 91 L CB . 50890 1 401 . 1 . 1 91 91 LEU N N 15 117.921 0.05 . 1 . . . . . 91 L N . 50890 1 402 . 1 . 1 92 92 ASP H H 1 8.011 0.02 . 1 . . . . . 92 D H . 50890 1 403 . 1 . 1 92 92 ASP C C 13 177.420 0.05 . 1 . . . . . 92 D C . 50890 1 404 . 1 . 1 92 92 ASP CA C 13 55.273 0.05 . 1 . . . . . 92 D CA . 50890 1 405 . 1 . 1 92 92 ASP CB C 13 40.766 0.05 . 1 . . . . . 92 D CB . 50890 1 406 . 1 . 1 92 92 ASP N N 15 119.997 0.05 . 1 . . . . . 92 D N . 50890 1 407 . 1 . 1 93 93 GLN H H 1 8.065 0.02 . 1 . . . . . 93 Q H . 50890 1 408 . 1 . 1 93 93 GLN C C 13 176.818 0.05 . 1 . . . . . 93 Q C . 50890 1 409 . 1 . 1 93 93 GLN CA C 13 55.920 0.05 . 1 . . . . . 93 Q CA . 50890 1 410 . 1 . 1 93 93 GLN CB C 13 27.990 0.05 . 1 . . . . . 93 Q CB . 50890 1 411 . 1 . 1 93 93 GLN N N 15 118.970 0.05 . 1 . . . . . 93 Q N . 50890 1 412 . 1 . 1 94 94 GLY H H 1 8.159 0.02 . 1 . . . . . 94 G H . 50890 1 413 . 1 . 1 94 94 GLY C C 13 174.512 0.05 . 1 . . . . . 94 G C . 50890 1 414 . 1 . 1 94 94 GLY CA C 13 45.367 0.05 . 1 . . . . . 94 G CA . 50890 1 415 . 1 . 1 94 94 GLY N N 15 108.131 0.05 . 1 . . . . . 94 G N . 50890 1 416 . 1 . 1 95 95 GLY H H 1 8.079 0.02 . 1 . . . . . 95 G H . 50890 1 417 . 1 . 1 95 95 GLY C C 13 174.018 0.05 . 1 . . . . . 95 G C . 50890 1 418 . 1 . 1 95 95 GLY CA C 13 44.893 0.05 . 1 . . . . . 95 G CA . 50890 1 419 . 1 . 1 95 95 GLY N N 15 108.218 0.05 . 1 . . . . . 95 G N . 50890 1 420 . 1 . 1 96 96 PHE H H 1 8.386 0.02 . 1 . . . . . 96 F H . 50890 1 421 . 1 . 1 96 96 PHE C C 13 175.703 0.05 . 1 . . . . . 96 F C . 50890 1 422 . 1 . 1 96 96 PHE CA C 13 58.774 0.05 . 1 . . . . . 96 F CA . 50890 1 423 . 1 . 1 96 96 PHE CB C 13 39.193 0.05 . 1 . . . . . 96 F CB . 50890 1 424 . 1 . 1 96 96 PHE N N 15 120.262 0.05 . 1 . . . . . 96 F N . 50890 1 425 . 1 . 1 97 97 ALA H H 1 8.560 0.02 . 1 . . . . . 97 A H . 50890 1 426 . 1 . 1 97 97 ALA CA C 13 53.919 0.05 . 1 . . . . . 97 A CA . 50890 1 427 . 1 . 1 97 97 ALA CB C 13 16.336 0.05 . 1 . . . . . 97 A CB . 50890 1 428 . 1 . 1 97 97 ALA N N 15 123.149 0.05 . 1 . . . . . 97 A N . 50890 1 429 . 1 . 1 98 98 PRO C C 13 178.658 0.05 . 1 . . . . . 98 P C . 50890 1 430 . 1 . 1 98 98 PRO CA C 13 64.890 0.05 . 1 . . . . . 98 P CA . 50890 1 431 . 1 . 1 98 98 PRO CB C 13 30.251 0.05 . 1 . . . . . 98 P CB . 50890 1 432 . 1 . 1 99 99 ALA H H 1 7.824 0.02 . 1 . . . . . 99 A H . 50890 1 433 . 1 . 1 99 99 ALA C C 13 179.648 0.05 . 1 . . . . . 99 A C . 50890 1 434 . 1 . 1 99 99 ALA CA C 13 54.109 0.05 . 1 . . . . . 99 A CA . 50890 1 435 . 1 . 1 99 99 ALA CB C 13 17.733 0.05 . 1 . . . . . 99 A CB . 50890 1 436 . 1 . 1 99 99 ALA N N 15 121.482 0.05 . 1 . . . . . 99 A N . 50890 1 437 . 1 . 1 100 100 PHE H H 1 8.168 0.02 . 1 . . . . . 100 F H . 50890 1 438 . 1 . 1 100 100 PHE C C 13 176.872 0.05 . 1 . . . . . 100 F C . 50890 1 439 . 1 . 1 100 100 PHE CA C 13 60.012 0.05 . 1 . . . . . 100 F CA . 50890 1 440 . 1 . 1 100 100 PHE CB C 13 38.435 0.05 . 1 . . . . . 100 F CB . 50890 1 441 . 1 . 1 100 100 PHE N N 15 118.045 0.05 . 1 . . . . . 100 F N . 50890 1 442 . 1 . 1 101 101 LEU H H 1 8.152 0.02 . 1 . . . . . 101 L H . 50890 1 443 . 1 . 1 101 101 LEU C C 13 178.847 0.05 . 1 . . . . . 101 L C . 50890 1 444 . 1 . 1 101 101 LEU CA C 13 57.156 0.05 . 1 . . . . . 101 L CA . 50890 1 445 . 1 . 1 101 101 LEU CB C 13 40.645 0.05 . 1 . . . . . 101 L CB . 50890 1 446 . 1 . 1 101 101 LEU N N 15 118.754 0.05 . 1 . . . . . 101 L N . 50890 1 447 . 1 . 1 102 102 GLY H H 1 8.071 0.02 . 1 . . . . . 102 G H . 50890 1 448 . 1 . 1 102 102 GLY C C 13 174.959 0.05 . 1 . . . . . 102 G C . 50890 1 449 . 1 . 1 102 102 GLY CA C 13 46.238 0.05 . 1 . . . . . 102 G CA . 50890 1 450 . 1 . 1 102 102 GLY N N 15 105.248 0.05 . 1 . . . . . 102 G N . 50890 1 451 . 1 . 1 103 103 ALA H H 1 7.436 0.02 . 1 . . . . . 103 A H . 50890 1 452 . 1 . 1 103 103 ALA C C 13 177.802 0.05 . 1 . . . . . 103 A C . 50890 1 453 . 1 . 1 103 103 ALA CA C 13 52.814 0.05 . 1 . . . . . 103 A CA . 50890 1 454 . 1 . 1 103 103 ALA CB C 13 18.271 0.05 . 1 . . . . . 103 A CB . 50890 1 455 . 1 . 1 103 103 ALA N N 15 121.544 0.05 . 1 . . . . . 103 A N . 50890 1 456 . 1 . 1 104 104 PHE H H 1 7.859 0.02 . 1 . . . . . 104 F H . 50890 1 457 . 1 . 1 104 104 PHE C C 13 176.509 0.05 . 1 . . . . . 104 F C . 50890 1 458 . 1 . 1 104 104 PHE CA C 13 59.074 0.05 . 1 . . . . . 104 F CA . 50890 1 459 . 1 . 1 104 104 PHE CB C 13 39.706 0.05 . 1 . . . . . 104 F CB . 50890 1 460 . 1 . 1 104 104 PHE N N 15 114.990 0.05 . 1 . . . . . 104 F N . 50890 1 461 . 1 . 1 105 105 LEU H H 1 7.988 0.02 . 1 . . . . . 105 L H . 50890 1 462 . 1 . 1 105 105 LEU CA C 13 58.575 0.05 . 1 . . . . . 105 L CA . 50890 1 463 . 1 . 1 105 105 LEU CB C 13 38.262 0.05 . 1 . . . . . 105 L CB . 50890 1 464 . 1 . 1 105 105 LEU N N 15 120.022 0.05 . 1 . . . . . 105 L N . 50890 1 465 . 1 . 1 106 106 PRO C C 13 178.408 0.05 . 1 . . . . . 106 P C . 50890 1 466 . 1 . 1 106 106 PRO CA C 13 65.007 0.05 . 1 . . . . . 106 P CA . 50890 1 467 . 1 . 1 106 106 PRO CB C 13 30.457 0.05 . 1 . . . . . 106 P CB . 50890 1 468 . 1 . 1 107 107 LEU H H 1 7.355 0.02 . 1 . . . . . 107 L H . 50890 1 469 . 1 . 1 107 107 LEU C C 13 177.949 0.05 . 1 . . . . . 107 L C . 50890 1 470 . 1 . 1 107 107 LEU CA C 13 56.771 0.05 . 1 . . . . . 107 L CA . 50890 1 471 . 1 . 1 107 107 LEU CB C 13 40.806 0.05 . 1 . . . . . 107 L CB . 50890 1 472 . 1 . 1 107 107 LEU N N 15 117.264 0.05 . 1 . . . . . 107 L N . 50890 1 473 . 1 . 1 108 108 VAL H H 1 7.625 0.02 . 1 . . . . . 108 V H . 50890 1 474 . 1 . 1 108 108 VAL C C 13 177.770 0.05 . 1 . . . . . 108 V C . 50890 1 475 . 1 . 1 108 108 VAL CA C 13 64.713 0.05 . 1 . . . . . 108 V CA . 50890 1 476 . 1 . 1 108 108 VAL CB C 13 30.648 0.05 . 1 . . . . . 108 V CB . 50890 1 477 . 1 . 1 108 108 VAL N N 15 116.551 0.05 . 1 . . . . . 108 V N . 50890 1 478 . 1 . 1 109 109 GLY H H 1 8.060 0.02 . 1 . . . . . 109 G H . 50890 1 479 . 1 . 1 109 109 GLY C C 13 175.433 0.05 . 1 . . . . . 109 G C . 50890 1 480 . 1 . 1 109 109 GLY CA C 13 46.182 0.05 . 1 . . . . . 109 G CA . 50890 1 481 . 1 . 1 109 109 GLY N N 15 107.592 0.05 . 1 . . . . . 109 G N . 50890 1 482 . 1 . 1 110 110 ALA H H 1 7.724 0.02 . 1 . . . . . 110 A H . 50890 1 483 . 1 . 1 110 110 ALA C C 13 178.759 0.05 . 1 . . . . . 110 A C . 50890 1 484 . 1 . 1 110 110 ALA CA C 13 53.139 0.05 . 1 . . . . . 110 A CA . 50890 1 485 . 1 . 1 110 110 ALA CB C 13 17.943 0.05 . 1 . . . . . 110 A CB . 50890 1 486 . 1 . 1 110 110 ALA N N 15 123.524 0.05 . 1 . . . . . 110 A N . 50890 1 487 . 1 . 1 111 111 LEU H H 1 7.787 0.02 . 1 . . . . . 111 L H . 50890 1 488 . 1 . 1 111 111 LEU C C 13 177.526 0.05 . 1 . . . . . 111 L C . 50890 1 489 . 1 . 1 111 111 LEU CA C 13 55.763 0.05 . 1 . . . . . 111 L CA . 50890 1 490 . 1 . 1 111 111 LEU CB C 13 40.806 0.05 . 1 . . . . . 111 L CB . 50890 1 491 . 1 . 1 111 111 LEU N N 15 117.977 0.05 . 1 . . . . . 111 L N . 50890 1 492 . 1 . 1 112 112 ASN H H 1 7.964 0.02 . 1 . . . . . 112 N H . 50890 1 493 . 1 . 1 112 112 ASN C C 13 176.343 0.05 . 1 . . . . . 112 N C . 50890 1 494 . 1 . 1 112 112 ASN CA C 13 54.153 0.05 . 1 . . . . . 112 N CA . 50890 1 495 . 1 . 1 112 112 ASN CB C 13 38.530 0.05 . 1 . . . . . 112 N CB . 50890 1 496 . 1 . 1 112 112 ASN N N 15 117.279 0.05 . 1 . . . . . 112 N N . 50890 1 497 . 1 . 1 113 113 GLY H H 1 8.204 0.02 . 1 . . . . . 113 G H . 50890 1 498 . 1 . 1 113 113 GLY C C 13 174.752 0.05 . 1 . . . . . 113 G C . 50890 1 499 . 1 . 1 113 113 GLY CA C 13 45.462 0.05 . 1 . . . . . 113 G CA . 50890 1 500 . 1 . 1 113 113 GLY N N 15 108.636 0.05 . 1 . . . . . 113 G N . 50890 1 501 . 1 . 1 114 114 LEU H H 1 7.809 0.02 . 1 . . . . . 114 L H . 50890 1 502 . 1 . 1 114 114 LEU C C 13 177.127 0.05 . 1 . . . . . 114 L C . 50890 1 503 . 1 . 1 114 114 LEU CA C 13 55.403 0.05 . 1 . . . . . 114 L CA . 50890 1 504 . 1 . 1 114 114 LEU CB C 13 41.528 0.05 . 1 . . . . . 114 L CB . 50890 1 505 . 1 . 1 114 114 LEU N N 15 121.474 0.05 . 1 . . . . . 114 L N . 50890 1 506 . 1 . 1 115 115 SER H H 1 8.165 0.02 . 1 . . . . . 115 S H . 50890 1 507 . 1 . 1 115 115 SER C C 13 174.880 0.05 . 1 . . . . . 115 S C . 50890 1 508 . 1 . 1 115 115 SER CA C 13 58.004 0.05 . 1 . . . . . 115 S CA . 50890 1 509 . 1 . 1 115 115 SER CB C 13 63.438 0.05 . 1 . . . . . 115 S CB . 50890 1 510 . 1 . 1 115 115 SER N N 15 114.552 0.05 . 1 . . . . . 115 S N . 50890 1 511 . 1 . 1 116 116 ALA H H 1 8.271 0.02 . 1 . . . . . 116 A H . 50890 1 512 . 1 . 1 116 116 ALA CA C 13 53.326 0.05 . 1 . . . . . 116 A CA . 50890 1 513 . 1 . 1 116 116 ALA CB C 13 18.320 0.05 . 1 . . . . . 116 A CB . 50890 1 514 . 1 . 1 116 116 ALA N N 15 125.976 0.05 . 1 . . . . . 116 A N . 50890 1 515 . 1 . 1 117 117 GLN C C 13 176.981 0.05 . 1 . . . . . 117 Q C . 50890 1 516 . 1 . 1 117 117 GLN CA C 13 57.101 0.05 . 1 . . . . . 117 Q CA . 50890 1 517 . 1 . 1 118 118 ASP H H 1 8.189 0.02 . 1 . . . . . 118 D H . 50890 1 518 . 1 . 1 118 118 ASP C C 13 177.434 0.05 . 1 . . . . . 118 D C . 50890 1 519 . 1 . 1 118 118 ASP CA C 13 55.369 0.05 . 1 . . . . . 118 D CA . 50890 1 520 . 1 . 1 118 118 ASP CB C 13 40.041 0.05 . 1 . . . . . 118 D CB . 50890 1 521 . 1 . 1 118 118 ASP N N 15 120.508 0.05 . 1 . . . . . 118 D N . 50890 1 522 . 1 . 1 119 119 ASN H H 1 8.164 0.02 . 1 . . . . . 119 N H . 50890 1 523 . 1 . 1 119 119 ASN C C 13 176.597 0.05 . 1 . . . . . 119 N C . 50890 1 524 . 1 . 1 119 119 ASN CA C 13 55.018 0.05 . 1 . . . . . 119 N CA . 50890 1 525 . 1 . 1 119 119 ASN CB C 13 38.430 0.05 . 1 . . . . . 119 N CB . 50890 1 526 . 1 . 1 119 119 ASN N N 15 118.728 0.05 . 1 . . . . . 119 N N . 50890 1 527 . 1 . 1 120 120 TRP H H 1 8.312 0.02 . 1 . . . . . 120 W H . 50890 1 528 . 1 . 1 120 120 TRP C C 13 177.338 0.05 . 1 . . . . . 120 W C . 50890 1 529 . 1 . 1 120 120 TRP CA C 13 58.966 0.05 . 1 . . . . . 120 W CA . 50890 1 530 . 1 . 1 120 120 TRP CB C 13 28.780 0.05 . 1 . . . . . 120 W CB . 50890 1 531 . 1 . 1 120 120 TRP N N 15 121.736 0.05 . 1 . . . . . 120 W N . 50890 1 532 . 1 . 1 121 121 ALA H H 1 7.956 0.02 . 1 . . . . . 121 A H . 50890 1 533 . 1 . 1 121 121 ALA C C 13 179.791 0.05 . 1 . . . . . 121 A C . 50890 1 534 . 1 . 1 121 121 ALA CA C 13 54.090 0.05 . 1 . . . . . 121 A CA . 50890 1 535 . 1 . 1 121 121 ALA CB C 13 17.450 0.05 . 1 . . . . . 121 A CB . 50890 1 536 . 1 . 1 121 121 ALA N N 15 121.294 0.05 . 1 . . . . . 121 A N . 50890 1 537 . 1 . 1 122 122 LYS H H 1 7.646 0.02 . 1 . . . . . 122 K H . 50890 1 538 . 1 . 1 122 122 LYS C C 13 177.725 0.05 . 1 . . . . . 122 K C . 50890 1 539 . 1 . 1 122 122 LYS CA C 13 58.117 0.05 . 1 . . . . . 122 K CA . 50890 1 540 . 1 . 1 122 122 LYS CB C 13 31.585 0.05 . 1 . . . . . 122 K CB . 50890 1 541 . 1 . 1 122 122 LYS N N 15 118.353 0.05 . 1 . . . . . 122 K N . 50890 1 542 . 1 . 1 123 123 LEU H H 1 7.731 0.02 . 1 . . . . . 123 L H . 50890 1 543 . 1 . 1 123 123 LEU C C 13 177.714 0.05 . 1 . . . . . 123 L C . 50890 1 544 . 1 . 1 123 123 LEU CA C 13 56.735 0.05 . 1 . . . . . 123 L CA . 50890 1 545 . 1 . 1 123 123 LEU CB C 13 41.040 0.05 . 1 . . . . . 123 L CB . 50890 1 546 . 1 . 1 123 123 LEU N N 15 120.455 0.05 . 1 . . . . . 123 L N . 50890 1 547 . 1 . 1 124 124 GLN H H 1 7.698 0.02 . 1 . . . . . 124 Q H . 50890 1 548 . 1 . 1 124 124 GLN C C 13 176.600 0.05 . 1 . . . . . 124 Q C . 50890 1 549 . 1 . 1 124 124 GLN CA C 13 56.903 0.05 . 1 . . . . . 124 Q CA . 50890 1 550 . 1 . 1 124 124 GLN CB C 13 28.998 0.05 . 1 . . . . . 124 Q CB . 50890 1 551 . 1 . 1 124 124 GLN N N 15 116.562 0.05 . 1 . . . . . 124 Q N . 50890 1 552 . 1 . 1 125 125 ARG H H 1 7.585 0.02 . 1 . . . . . 125 R H . 50890 1 553 . 1 . 1 125 125 ARG C C 13 176.809 0.05 . 1 . . . . . 125 R C . 50890 1 554 . 1 . 1 125 125 ARG CA C 13 56.902 0.05 . 1 . . . . . 125 R CA . 50890 1 555 . 1 . 1 125 125 ARG CB C 13 29.898 0.05 . 1 . . . . . 125 R CB . 50890 1 556 . 1 . 1 125 125 ARG N N 15 118.718 0.05 . 1 . . . . . 125 R N . 50890 1 557 . 1 . 1 126 126 ASP H H 1 7.982 0.02 . 1 . . . . . 126 D H . 50890 1 558 . 1 . 1 126 126 ASP C C 13 175.950 0.05 . 1 . . . . . 126 D C . 50890 1 559 . 1 . 1 126 126 ASP CA C 13 54.837 0.05 . 1 . . . . . 126 D CA . 50890 1 560 . 1 . 1 126 126 ASP CB C 13 40.955 0.05 . 1 . . . . . 126 D CB . 50890 1 561 . 1 . 1 126 126 ASP N N 15 119.128 0.05 . 1 . . . . . 126 D N . 50890 1 562 . 1 . 1 127 127 TYR H H 1 7.892 0.02 . 1 . . . . . 127 Y H . 50890 1 563 . 1 . 1 127 127 TYR CA C 13 56.205 0.05 . 1 . . . . . 127 Y CA . 50890 1 564 . 1 . 1 127 127 TYR CB C 13 37.358 0.05 . 1 . . . . . 127 Y CB . 50890 1 565 . 1 . 1 127 127 TYR N N 15 119.748 0.05 . 1 . . . . . 127 Y N . 50890 1 566 . 1 . 1 128 128 PRO C C 13 177.374 0.05 . 1 . . . . . 128 P C . 50890 1 567 . 1 . 1 128 128 PRO CA C 13 63.928 0.05 . 1 . . . . . 128 P CA . 50890 1 568 . 1 . 1 128 128 PRO CB C 13 30.659 0.05 . 1 . . . . . 128 P CB . 50890 1 569 . 1 . 1 129 129 ASP H H 1 8.205 0.02 . 1 . . . . . 129 D H . 50890 1 570 . 1 . 1 129 129 ASP C C 13 176.944 0.05 . 1 . . . . . 129 D C . 50890 1 571 . 1 . 1 129 129 ASP CA C 13 55.082 0.05 . 1 . . . . . 129 D CA . 50890 1 572 . 1 . 1 129 129 ASP CB C 13 40.459 0.05 . 1 . . . . . 129 D CB . 50890 1 573 . 1 . 1 129 129 ASP N N 15 119.051 0.05 . 1 . . . . . 129 D N . 50890 1 574 . 1 . 1 130 130 ALA H H 1 7.965 0.02 . 1 . . . . . 130 A H . 50890 1 575 . 1 . 1 130 130 ALA C C 13 178.098 0.05 . 1 . . . . . 130 A C . 50890 1 576 . 1 . 1 130 130 ALA CA C 13 53.238 0.05 . 1 . . . . . 130 A CA . 50890 1 577 . 1 . 1 130 130 ALA CB C 13 18.259 0.05 . 1 . . . . . 130 A CB . 50890 1 578 . 1 . 1 130 130 ALA N N 15 122.610 0.05 . 1 . . . . . 130 A N . 50890 1 579 . 1 . 1 131 131 LEU H H 1 7.982 0.02 . 1 . . . . . 131 L H . 50890 1 580 . 1 . 1 131 131 LEU C C 13 177.731 0.05 . 1 . . . . . 131 L C . 50890 1 581 . 1 . 1 131 131 LEU CA C 13 56.228 0.05 . 1 . . . . . 131 L CA . 50890 1 582 . 1 . 1 131 131 LEU CB C 13 41.085 0.05 . 1 . . . . . 131 L CB . 50890 1 583 . 1 . 1 131 131 LEU N N 15 118.929 0.05 . 1 . . . . . 131 L N . 50890 1 584 . 1 . 1 132 132 ILE H H 1 7.839 0.02 . 1 . . . . . 132 I H . 50890 1 585 . 1 . 1 132 132 ILE C C 13 176.936 0.05 . 1 . . . . . 132 I C . 50890 1 586 . 1 . 1 132 132 ILE CA C 13 62.331 0.05 . 1 . . . . . 132 I CA . 50890 1 587 . 1 . 1 132 132 ILE CB C 13 37.216 0.05 . 1 . . . . . 132 I CB . 50890 1 588 . 1 . 1 132 132 ILE N N 15 117.715 0.05 . 1 . . . . . 132 I N . 50890 1 589 . 1 . 1 133 133 THR H H 1 7.898 0.02 . 1 . . . . . 133 T H . 50890 1 590 . 1 . 1 133 133 THR C C 13 175.059 0.05 . 1 . . . . . 133 T C . 50890 1 591 . 1 . 1 133 133 THR CA C 13 63.409 0.05 . 1 . . . . . 133 T CA . 50890 1 592 . 1 . 1 133 133 THR CB C 13 68.662 0.05 . 1 . . . . . 133 T CB . 50890 1 593 . 1 . 1 133 133 THR N N 15 114.061 0.05 . 1 . . . . . 133 T N . 50890 1 594 . 1 . 1 134 134 ASN H H 1 7.958 0.02 . 1 . . . . . 134 N H . 50890 1 595 . 1 . 1 134 134 ASN C C 13 175.552 0.05 . 1 . . . . . 134 N C . 50890 1 596 . 1 . 1 134 134 ASN CA C 13 54.291 0.05 . 1 . . . . . 134 N CA . 50890 1 597 . 1 . 1 134 134 ASN CB C 13 38.514 0.05 . 1 . . . . . 134 N CB . 50890 1 598 . 1 . 1 134 134 ASN N N 15 119.213 0.05 . 1 . . . . . 134 N N . 50890 1 599 . 1 . 1 135 135 TYR H H 1 7.920 0.02 . 1 . . . . . 135 Y H . 50890 1 600 . 1 . 1 135 135 TYR C C 13 175.434 0.05 . 1 . . . . . 135 Y C . 50890 1 601 . 1 . 1 135 135 TYR CA C 13 59.198 0.05 . 1 . . . . . 135 Y CA . 50890 1 602 . 1 . 1 135 135 TYR CB C 13 38.424 0.05 . 1 . . . . . 135 Y CB . 50890 1 603 . 1 . 1 135 135 TYR N N 15 119.651 0.05 . 1 . . . . . 135 Y N . 50890 1 604 . 1 . 1 136 136 TYR H H 1 7.632 0.02 . 1 . . . . . 136 Y H . 50890 1 605 . 1 . 1 136 136 TYR C C 13 175.596 0.05 . 1 . . . . . 136 Y C . 50890 1 606 . 1 . 1 136 136 TYR CA C 13 58.709 0.05 . 1 . . . . . 136 Y CA . 50890 1 607 . 1 . 1 136 136 TYR CB C 13 37.818 0.05 . 1 . . . . . 136 Y CB . 50890 1 608 . 1 . 1 136 136 TYR N N 15 115.713 0.05 . 1 . . . . . 136 Y N . 50890 1 609 . 1 . 1 137 137 LEU H H 1 7.617 0.02 . 1 . . . . . 137 L H . 50890 1 610 . 1 . 1 137 137 LEU CA C 13 56.316 0.05 . 1 . . . . . 137 L CA . 50890 1 611 . 1 . 1 137 137 LEU CB C 13 40.044 0.05 . 1 . . . . . 137 L CB . 50890 1 612 . 1 . 1 137 137 LEU N N 15 118.793 0.05 . 1 . . . . . 137 L N . 50890 1 613 . 1 . 1 139 139 PRO C C 13 179.202 0.05 . 1 . . . . . 139 P C . 50890 1 614 . 1 . 1 139 139 PRO CA C 13 59.032 0.05 . 1 . . . . . 139 P CA . 50890 1 615 . 1 . 1 139 139 PRO CB C 13 29.151 0.05 . 1 . . . . . 139 P CB . 50890 1 616 . 1 . 1 140 140 ALA H H 1 7.948 0.02 . 1 . . . . . 140 A H . 50890 1 617 . 1 . 1 140 140 ALA CA C 13 54.981 0.05 . 1 . . . . . 140 A CA . 50890 1 618 . 1 . 1 140 140 ALA CB C 13 17.255 0.05 . 1 . . . . . 140 A CB . 50890 1 619 . 1 . 1 140 140 ALA N N 15 122.812 0.05 . 1 . . . . . 140 A N . 50890 1 620 . 1 . 1 143 143 LEU C C 13 178.280 0.05 . 1 . . . . . 143 L C . 50890 1 621 . 1 . 1 143 143 LEU CA C 13 57.183 0.05 . 1 . . . . . 143 L CA . 50890 1 622 . 1 . 1 143 143 LEU CB C 13 40.983 0.05 . 1 . . . . . 143 L CB . 50890 1 623 . 1 . 1 144 144 ALA H H 1 8.166 0.02 . 1 . . . . . 144 A H . 50890 1 624 . 1 . 1 144 144 ALA CA C 13 54.346 0.05 . 1 . . . . . 144 A CA . 50890 1 625 . 1 . 1 144 144 ALA CB C 13 17.285 0.05 . 1 . . . . . 144 A CB . 50890 1 626 . 1 . 1 144 144 ALA N N 15 120.919 0.05 . 1 . . . . . 144 A N . 50890 1 627 . 1 . 1 148 148 LEU C C 13 176.495 0.05 . 1 . . . . . 148 L C . 50890 1 628 . 1 . 1 148 148 LEU CA C 13 56.171 0.05 . 1 . . . . . 148 L CA . 50890 1 629 . 1 . 1 149 149 VAL H H 1 7.819 0.02 . 1 . . . . . 149 V H . 50890 1 630 . 1 . 1 149 149 VAL CA C 13 62.242 0.05 . 1 . . . . . 149 V CA . 50890 1 631 . 1 . 1 149 149 VAL CB C 13 31.782 0.05 . 1 . . . . . 149 V CB . 50890 1 632 . 1 . 1 149 149 VAL N N 15 119.330 0.05 . 1 . . . . . 149 V N . 50890 1 633 . 1 . 1 152 152 HIS C C 13 177.701 0.05 . 1 . . . . . 152 H C . 50890 1 634 . 1 . 1 153 153 TYR H H 1 7.193 0.02 . 1 . . . . . 153 Y H . 50890 1 635 . 1 . 1 153 153 TYR C C 13 176.839 0.05 . 1 . . . . . 153 Y C . 50890 1 636 . 1 . 1 153 153 TYR CA C 13 59.142 0.05 . 1 . . . . . 153 Y CA . 50890 1 637 . 1 . 1 153 153 TYR CB C 13 37.551 0.05 . 1 . . . . . 153 Y CB . 50890 1 638 . 1 . 1 153 153 TYR N N 15 118.960 0.05 . 1 . . . . . 153 Y N . 50890 1 639 . 1 . 1 154 154 ARG H H 1 7.614 0.02 . 1 . . . . . 154 R H . 50890 1 640 . 1 . 1 154 154 ARG C C 13 177.966 0.05 . 1 . . . . . 154 R C . 50890 1 641 . 1 . 1 154 154 ARG CA C 13 60.037 0.05 . 1 . . . . . 154 R CA . 50890 1 642 . 1 . 1 154 154 ARG CB C 13 29.406 0.05 . 1 . . . . . 154 R CB . 50890 1 643 . 1 . 1 154 154 ARG N N 15 119.613 0.05 . 1 . . . . . 154 R N . 50890 1 644 . 1 . 1 155 155 LEU H H 1 8.244 0.02 . 1 . . . . . 155 L H . 50890 1 645 . 1 . 1 155 155 LEU C C 13 178.991 0.05 . 1 . . . . . 155 L C . 50890 1 646 . 1 . 1 155 155 LEU CA C 13 57.174 0.05 . 1 . . . . . 155 L CA . 50890 1 647 . 1 . 1 155 155 LEU CB C 13 40.389 0.05 . 1 . . . . . 155 L CB . 50890 1 648 . 1 . 1 155 155 LEU N N 15 117.640 0.05 . 1 . . . . . 155 L N . 50890 1 649 . 1 . 1 156 156 ALA H H 1 7.567 0.02 . 1 . . . . . 156 A H . 50890 1 650 . 1 . 1 156 156 ALA C C 13 179.990 0.05 . 1 . . . . . 156 A C . 50890 1 651 . 1 . 1 156 156 ALA CA C 13 54.554 0.05 . 1 . . . . . 156 A CA . 50890 1 652 . 1 . 1 156 156 ALA CB C 13 17.660 0.05 . 1 . . . . . 156 A CB . 50890 1 653 . 1 . 1 156 156 ALA N N 15 121.637 0.05 . 1 . . . . . 156 A N . 50890 1 654 . 1 . 1 157 157 VAL H H 1 7.901 0.02 . 1 . . . . . 157 V H . 50890 1 655 . 1 . 1 157 157 VAL C C 13 177.251 0.05 . 1 . . . . . 157 V C . 50890 1 656 . 1 . 1 157 157 VAL CA C 13 66.424 0.05 . 1 . . . . . 157 V CA . 50890 1 657 . 1 . 1 157 157 VAL CB C 13 30.630 0.05 . 1 . . . . . 157 V CB . 50890 1 658 . 1 . 1 157 157 VAL N N 15 117.625 0.05 . 1 . . . . . 157 V N . 50890 1 659 . 1 . 1 158 158 VAL H H 1 7.846 0.02 . 1 . . . . . 158 V H . 50890 1 660 . 1 . 1 158 158 VAL C C 13 177.974 0.05 . 1 . . . . . 158 V C . 50890 1 661 . 1 . 1 158 158 VAL CA C 13 66.757 0.05 . 1 . . . . . 158 V CA . 50890 1 662 . 1 . 1 158 158 VAL CB C 13 30.621 0.05 . 1 . . . . . 158 V CB . 50890 1 663 . 1 . 1 158 158 VAL N N 15 118.932 0.05 . 1 . . . . . 158 V N . 50890 1 664 . 1 . 1 159 159 GLN H H 1 8.037 0.02 . 1 . . . . . 159 Q H . 50890 1 665 . 1 . 1 159 159 GLN C C 13 178.382 0.05 . 1 . . . . . 159 Q C . 50890 1 666 . 1 . 1 159 159 GLN CA C 13 58.447 0.05 . 1 . . . . . 159 Q CA . 50890 1 667 . 1 . 1 159 159 GLN CB C 13 27.734 0.05 . 1 . . . . . 159 Q CB . 50890 1 668 . 1 . 1 159 159 GLN N N 15 118.334 0.05 . 1 . . . . . 159 Q N . 50890 1 669 . 1 . 1 160 160 ALA H H 1 8.072 0.02 . 1 . . . . . 160 A H . 50890 1 670 . 1 . 1 160 160 ALA C C 13 179.496 0.05 . 1 . . . . . 160 A C . 50890 1 671 . 1 . 1 160 160 ALA CA C 13 54.902 0.05 . 1 . . . . . 160 A CA . 50890 1 672 . 1 . 1 160 160 ALA CB C 13 17.755 0.05 . 1 . . . . . 160 A CB . 50890 1 673 . 1 . 1 160 160 ALA N N 15 121.781 0.05 . 1 . . . . . 160 A N . 50890 1 674 . 1 . 1 161 161 VAL H H 1 8.372 0.02 . 1 . . . . . 161 V H . 50890 1 675 . 1 . 1 161 161 VAL C C 13 177.380 0.05 . 1 . . . . . 161 V C . 50890 1 676 . 1 . 1 161 161 VAL CA C 13 66.398 0.05 . 1 . . . . . 161 V CA . 50890 1 677 . 1 . 1 161 161 VAL CB C 13 30.237 0.05 . 1 . . . . . 161 V CB . 50890 1 678 . 1 . 1 161 161 VAL N N 15 116.809 0.05 . 1 . . . . . 161 V N . 50890 1 679 . 1 . 1 162 162 ALA H H 1 8.070 0.02 . 1 . . . . . 162 A H . 50890 1 680 . 1 . 1 162 162 ALA C C 13 180.226 0.05 . 1 . . . . . 162 A C . 50890 1 681 . 1 . 1 162 162 ALA CA C 13 55.436 0.05 . 1 . . . . . 162 A CA . 50890 1 682 . 1 . 1 162 162 ALA CB C 13 17.258 0.05 . 1 . . . . . 162 A CB . 50890 1 683 . 1 . 1 162 162 ALA N N 15 122.147 0.05 . 1 . . . . . 162 A N . 50890 1 684 . 1 . 1 163 163 VAL H H 1 7.895 0.02 . 1 . . . . . 163 V H . 50890 1 685 . 1 . 1 163 163 VAL C C 13 179.661 0.05 . 1 . . . . . 163 V C . 50890 1 686 . 1 . 1 163 163 VAL CA C 13 65.959 0.05 . 1 . . . . . 163 V CA . 50890 1 687 . 1 . 1 163 163 VAL CB C 13 30.877 0.05 . 1 . . . . . 163 V CB . 50890 1 688 . 1 . 1 163 163 VAL N N 15 118.738 0.05 . 1 . . . . . 163 V N . 50890 1 689 . 1 . 1 164 164 ILE H H 1 8.251 0.02 . 1 . . . . . 164 I H . 50890 1 690 . 1 . 1 164 164 ILE C C 13 177.383 0.05 . 1 . . . . . 164 I C . 50890 1 691 . 1 . 1 164 164 ILE CA C 13 65.345 0.05 . 1 . . . . . 164 I CA . 50890 1 692 . 1 . 1 164 164 ILE CB C 13 36.949 0.05 . 1 . . . . . 164 I CB . 50890 1 693 . 1 . 1 164 164 ILE N N 15 123.159 0.05 . 1 . . . . . 164 I N . 50890 1 694 . 1 . 1 165 165 TRP H H 1 8.982 0.02 . 1 . . . . . 165 W H . 50890 1 695 . 1 . 1 165 165 TRP C C 13 177.628 0.05 . 1 . . . . . 165 W C . 50890 1 696 . 1 . 1 165 165 TRP CA C 13 59.787 0.05 . 1 . . . . . 165 W CA . 50890 1 697 . 1 . 1 165 165 TRP CB C 13 29.569 0.05 . 1 . . . . . 165 W CB . 50890 1 698 . 1 . 1 165 165 TRP N N 15 121.855 0.05 . 1 . . . . . 165 W N . 50890 1 699 . 1 . 1 166 166 ASN H H 1 8.499 0.02 . 1 . . . . . 166 N H . 50890 1 700 . 1 . 1 166 166 ASN C C 13 178.757 0.05 . 1 . . . . . 166 N C . 50890 1 701 . 1 . 1 166 166 ASN CA C 13 56.493 0.05 . 1 . . . . . 166 N CA . 50890 1 702 . 1 . 1 166 166 ASN CB C 13 38.144 0.05 . 1 . . . . . 166 N CB . 50890 1 703 . 1 . 1 166 166 ASN N N 15 115.559 0.05 . 1 . . . . . 166 N N . 50890 1 704 . 1 . 1 167 167 SER H H 1 8.282 0.02 . 1 . . . . . 167 S H . 50890 1 705 . 1 . 1 167 167 SER C C 13 175.793 0.05 . 1 . . . . . 167 S C . 50890 1 706 . 1 . 1 167 167 SER CA C 13 62.480 0.05 . 1 . . . . . 167 S CA . 50890 1 707 . 1 . 1 167 167 SER CB C 13 60.213 0.05 . 1 . . . . . 167 S CB . 50890 1 708 . 1 . 1 167 167 SER N N 15 118.179 0.05 . 1 . . . . . 167 S N . 50890 1 709 . 1 . 1 168 168 TYR H H 1 8.397 0.02 . 1 . . . . . 168 Y H . 50890 1 710 . 1 . 1 168 168 TYR C C 13 176.633 0.05 . 1 . . . . . 168 Y C . 50890 1 711 . 1 . 1 168 168 TYR CA C 13 61.072 0.05 . 1 . . . . . 168 Y CA . 50890 1 712 . 1 . 1 168 168 TYR CB C 13 37.116 0.05 . 1 . . . . . 168 Y CB . 50890 1 713 . 1 . 1 168 168 TYR N N 15 124.698 0.05 . 1 . . . . . 168 Y N . 50890 1 714 . 1 . 1 169 169 LEU H H 1 8.102 0.02 . 1 . . . . . 169 L H . 50890 1 715 . 1 . 1 169 169 LEU C C 13 180.168 0.05 . 1 . . . . . 169 L C . 50890 1 716 . 1 . 1 169 169 LEU CA C 13 57.217 0.05 . 1 . . . . . 169 L CA . 50890 1 717 . 1 . 1 169 169 LEU CB C 13 40.309 0.05 . 1 . . . . . 169 L CB . 50890 1 718 . 1 . 1 169 169 LEU N N 15 118.457 0.05 . 1 . . . . . 169 L N . 50890 1 719 . 1 . 1 170 170 SER H H 1 7.830 0.02 . 1 . . . . . 170 S H . 50890 1 720 . 1 . 1 170 170 SER C C 13 176.029 0.05 . 1 . . . . . 170 S C . 50890 1 721 . 1 . 1 170 170 SER CA C 13 60.757 0.05 . 1 . . . . . 170 S CA . 50890 1 722 . 1 . 1 170 170 SER CB C 13 62.532 0.05 . 1 . . . . . 170 S CB . 50890 1 723 . 1 . 1 170 170 SER N N 15 114.903 0.05 . 1 . . . . . 170 S N . 50890 1 724 . 1 . 1 171 171 TRP H H 1 8.055 0.02 . 1 . . . . . 171 W H . 50890 1 725 . 1 . 1 171 171 TRP C C 13 177.964 0.05 . 1 . . . . . 171 W C . 50890 1 726 . 1 . 1 171 171 TRP CA C 13 59.758 0.05 . 1 . . . . . 171 W CA . 50890 1 727 . 1 . 1 171 171 TRP CB C 13 28.014 0.05 . 1 . . . . . 171 W CB . 50890 1 728 . 1 . 1 171 171 TRP N N 15 124.406 0.05 . 1 . . . . . 171 W N . 50890 1 729 . 1 . 1 172 172 LYS H H 1 8.189 0.02 . 1 . . . . . 172 K H . 50890 1 730 . 1 . 1 172 172 LYS C C 13 177.349 0.05 . 1 . . . . . 172 K C . 50890 1 731 . 1 . 1 172 172 LYS CA C 13 57.244 0.05 . 1 . . . . . 172 K CA . 50890 1 732 . 1 . 1 172 172 LYS CB C 13 30.999 0.05 . 1 . . . . . 172 K CB . 50890 1 733 . 1 . 1 172 172 LYS N N 15 118.948 0.05 . 1 . . . . . 172 K N . 50890 1 734 . 1 . 1 173 173 ALA H H 1 7.420 0.02 . 1 . . . . . 173 A H . 50890 1 735 . 1 . 1 173 173 ALA C C 13 177.912 0.05 . 1 . . . . . 173 A C . 50890 1 736 . 1 . 1 173 173 ALA CA C 13 52.715 0.05 . 1 . . . . . 173 A CA . 50890 1 737 . 1 . 1 173 173 ALA CB C 13 17.824 0.05 . 1 . . . . . 173 A CB . 50890 1 738 . 1 . 1 173 173 ALA N N 15 120.573 0.05 . 1 . . . . . 173 A N . 50890 1 739 . 1 . 1 174 174 HIS H H 1 7.563 0.02 . 1 . . . . . 174 H H . 50890 1 740 . 1 . 1 174 174 HIS C C 13 175.013 0.05 . 1 . . . . . 174 H C . 50890 1 741 . 1 . 1 174 174 HIS CA C 13 56.182 0.05 . 1 . . . . . 174 H CA . 50890 1 742 . 1 . 1 174 174 HIS CB C 13 29.566 0.05 . 1 . . . . . 174 H CB . 50890 1 743 . 1 . 1 174 174 HIS N N 15 116.934 0.05 . 1 . . . . . 174 H N . 50890 1 744 . 1 . 1 175 175 ARG H H 1 7.667 0.02 . 1 . . . . . 175 R H . 50890 1 745 . 1 . 1 175 175 ARG C C 13 174.918 0.05 . 1 . . . . . 175 R C . 50890 1 746 . 1 . 1 175 175 ARG CA C 13 55.382 0.05 . 1 . . . . . 175 R CA . 50890 1 747 . 1 . 1 175 175 ARG CB C 13 29.645 0.05 . 1 . . . . . 175 R CB . 50890 1 748 . 1 . 1 175 175 ARG N N 15 121.751 0.05 . 1 . . . . . 175 R N . 50890 1 749 . 1 . 1 176 176 LEU H H 1 7.546 0.02 . 1 . . . . . 176 L H . 50890 1 750 . 1 . 1 176 176 LEU CA C 13 56.330 0.05 . 1 . . . . . 176 L CA . 50890 1 751 . 1 . 1 176 176 LEU CB C 13 42.394 0.05 . 1 . . . . . 176 L CB . 50890 1 752 . 1 . 1 176 176 LEU N N 15 128.781 0.05 . 1 . . . . . 176 L N . 50890 1 stop_ save_