################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16501 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16501 1 2 '3D HNCA' . . . 16501 1 3 '3D HNCO' . . . 16501 1 4 '3D HNCACB' . . . 16501 1 5 '3D HN(CO)CA' . . . 16501 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 $SPARKY . . 16501 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 178.483 . . 1 . . . . 0 M C . 16501 1 2 . 1 1 1 1 MET CA C 13 55.161 . . 1 . . . . 0 M C . 16501 1 3 . 1 1 2 2 VAL H H 1 8.614 . . 1 . . . . 1 V H . 16501 1 4 . 1 1 2 2 VAL C C 13 175.448 . . 1 . . . . 1 V C . 16501 1 5 . 1 1 2 2 VAL CA C 13 62.302 . . 1 . . . . 1 V CA . 16501 1 6 . 1 1 2 2 VAL CB C 13 32.984 . . 1 . . . . 1 V CB . 16501 1 7 . 1 1 2 2 VAL N N 15 123.749 . . 1 . . . . 1 V N . 16501 1 8 . 1 1 3 3 LEU H H 1 8.450 . . 1 . . . . 2 L H . 16501 1 9 . 1 1 3 3 LEU C C 13 177.021 . . 1 . . . . 2 L C . 16501 1 10 . 1 1 3 3 LEU CA C 13 54.896 . . 1 . . . . 2 L CA . 16501 1 11 . 1 1 3 3 LEU CB C 13 42.651 . . 1 . . . . 2 L CB . 16501 1 12 . 1 1 3 3 LEU N N 15 126.899 . . 1 . . . . 2 L N . 16501 1 13 . 1 1 4 4 SER H H 1 8.284 . . 1 . . . . 3 S H . 16501 1 14 . 1 1 4 4 SER C C 13 174.659 . . 1 . . . . 3 S C . 16501 1 15 . 1 1 4 4 SER CA C 13 57.928 . . 1 . . . . 3 S CA . 16501 1 16 . 1 1 4 4 SER CB C 13 63.923 . . 1 . . . . 3 S CB . 16501 1 17 . 1 1 4 4 SER N N 15 117.181 . . 1 . . . . 3 S N . 16501 1 18 . 1 1 5 5 GLU H H 1 8.584 . . 1 . . . . 4 E H . 16501 1 19 . 1 1 5 5 GLU C C 13 177.064 . . 1 . . . . 4 E C . 16501 1 20 . 1 1 5 5 GLU CA C 13 57.058 . . 1 . . . . 4 E CA . 16501 1 21 . 1 1 5 5 GLU CB C 13 28.630 . . 1 . . . . 4 E CB . 16501 1 22 . 1 1 5 5 GLU N N 15 122.128 . . 1 . . . . 4 E N . 16501 1 23 . 1 1 6 6 GLY H H 1 8.489 . . 1 . . . . 5 G H . 16501 1 24 . 1 1 6 6 GLY CA C 13 45.981 . . 1 . . . . 5 G CA . 16501 1 25 . 1 1 6 6 GLY N N 15 108.470 . . 1 . . . . 5 G N . 16501 1 26 . 1 1 7 7 GLU H H 1 8.139 . . 1 . . . . 6 E H . 16501 1 27 . 1 1 7 7 GLU C C 13 176.294 . . 1 . . . . 6 E C . 16501 1 28 . 1 1 7 7 GLU CA C 13 56.949 . . 1 . . . . 6 E CA . 16501 1 29 . 1 1 7 7 GLU CB C 13 28.786 . . 1 . . . . 6 E CB . 16501 1 30 . 1 1 7 7 GLU N N 15 120.317 . . 1 . . . . 6 E N . 16501 1 31 . 1 1 8 8 TRP H H 1 8.188 . . 1 . . . . 7 W H . 16501 1 32 . 1 1 8 8 TRP CA C 13 57.891 . . 1 . . . . 7 W CA . 16501 1 33 . 1 1 8 8 TRP CB C 13 29.372 . . 1 . . . . 7 W CB . 16501 1 34 . 1 1 8 8 TRP N N 15 120.828 . . 1 . . . . 7 W N . 16501 1 35 . 1 1 9 9 GLN C C 13 176.392 . . 1 . . . . 8 Q C . 16501 1 36 . 1 1 10 10 LEU H H 1 7.815 . . 1 . . . . 9 L H . 16501 1 37 . 1 1 10 10 LEU C C 13 177.879 . . 1 . . . . 9 L C . 16501 1 38 . 1 1 10 10 LEU CA C 13 56.537 . . 1 . . . . 9 L CA . 16501 1 39 . 1 1 10 10 LEU N N 15 121.560 . . 1 . . . . 9 L N . 16501 1 40 . 1 1 11 11 VAL H H 1 7.963 . . 1 . . . . 10 V H . 16501 1 41 . 1 1 11 11 VAL CA C 13 63.649 . . 1 . . . . 10 V CA . 16501 1 42 . 1 1 11 11 VAL CB C 13 32.898 . . 1 . . . . 10 V CB . 16501 1 43 . 1 1 11 11 VAL N N 15 120.403 . . 1 . . . . 10 V N . 16501 1 44 . 1 1 12 12 LEU C C 13 177.707 . . 1 . . . . 11 L C . 16501 1 45 . 1 1 12 12 LEU CA C 13 55.731 . . 1 . . . . 11 L CA . 16501 1 46 . 1 1 13 13 HIS H H 1 8.228 . . 1 . . . . 12 H H . 16501 1 47 . 1 1 13 13 HIS CA C 13 56.090 . . 1 . . . . 12 H CA . 16501 1 48 . 1 1 13 13 HIS CB C 13 27.777 . . 1 . . . . 12 H CB . 16501 1 49 . 1 1 13 13 HIS N N 15 117.750 . . 1 . . . . 12 H N . 16501 1 50 . 1 1 19 19 GLU C C 13 175.940 . . 1 . . . . 18 E C . 16501 1 51 . 1 1 20 20 ALA H H 1 8.146 . . 1 . . . . 19 A H . 16501 1 52 . 1 1 20 20 ALA C C 13 177.723 . . 1 . . . . 19 A C . 16501 1 53 . 1 1 20 20 ALA CA C 13 53.303 . . 1 . . . . 19 A CA . 16501 1 54 . 1 1 20 20 ALA CB C 13 18.985 . . 1 . . . . 19 A CB . 16501 1 55 . 1 1 20 20 ALA N N 15 124.111 . . 1 . . . . 19 A N . 16501 1 56 . 1 1 21 21 ASP H H 1 8.284 . . 1 . . . . 20 D H . 16501 1 57 . 1 1 21 21 ASP C C 13 175.507 . . 1 . . . . 20 D C . 16501 1 58 . 1 1 21 21 ASP CA C 13 53.358 . . 1 . . . . 20 D CA . 16501 1 59 . 1 1 21 21 ASP CB C 13 38.056 . . 1 . . . . 20 D CB . 16501 1 60 . 1 1 21 21 ASP N N 15 117.619 . . 1 . . . . 20 D N . 16501 1 61 . 1 1 22 22 VAL H H 1 8.000 . . 1 . . . . 21 V H . 16501 1 62 . 1 1 22 22 VAL C C 13 176.000 . . 1 . . . . 21 V C . 16501 1 63 . 1 1 22 22 VAL CA C 13 62.627 . . 1 . . . . 21 V CA . 16501 1 64 . 1 1 22 22 VAL CB C 13 39.102 . . 1 . . . . 21 V CB . 16501 1 65 . 1 1 22 22 VAL N N 15 119.913 . . 1 . . . . 21 V N . 16501 1 66 . 1 1 23 23 ALA H H 1 8.341 . . 1 . . . . 22 A H . 16501 1 67 . 1 1 23 23 ALA C C 13 178.298 . . 1 . . . . 22 A C . 16501 1 68 . 1 1 23 23 ALA CA C 13 52.801 . . 1 . . . . 22 A CA . 16501 1 69 . 1 1 23 23 ALA CB C 13 19.139 . . 1 . . . . 22 A CB . 16501 1 70 . 1 1 23 23 ALA N N 15 127.120 . . 1 . . . . 22 A N . 16501 1 71 . 1 1 24 24 GLY H H 1 8.258 . . 1 . . . . 23 G H . 16501 1 72 . 1 1 24 24 GLY C C 13 174.331 . . 1 . . . . 23 G C . 16501 1 73 . 1 1 24 24 GLY CA C 13 45.613 . . 1 . . . . 23 G CA . 16501 1 74 . 1 1 24 24 GLY N N 15 107.542 . . 1 . . . . 23 G N . 16501 1 75 . 1 1 25 25 HIS H H 1 8.370 . . 1 . . . . 24 H H . 16501 1 76 . 1 1 25 25 HIS C C 13 175.047 . . 1 . . . . 24 H C . 16501 1 77 . 1 1 25 25 HIS CA C 13 55.491 . . 1 . . . . 24 H CA . 16501 1 78 . 1 1 25 25 HIS CB C 13 28.992 . . 1 . . . . 24 H CB . 16501 1 79 . 1 1 25 25 HIS N N 15 117.619 . . 1 . . . . 24 H N . 16501 1 80 . 1 1 26 26 GLY H H 1 8.545 . . 1 . . . . 25 G H . 16501 1 81 . 1 1 26 26 GLY C C 13 174.261 . . 1 . . . . 25 G C . 16501 1 82 . 1 1 26 26 GLY CA C 13 45.831 . . 1 . . . . 25 G CA . 16501 1 83 . 1 1 26 26 GLY N N 15 109.594 . . 1 . . . . 25 G N . 16501 1 84 . 1 1 27 27 GLN H H 1 8.348 . . 1 . . . . 26 Q H . 16501 1 85 . 1 1 27 27 GLN C C 13 176.016 . . 1 . . . . 26 Q C . 16501 1 86 . 1 1 27 27 GLN CA C 13 56.417 . . 1 . . . . 26 Q CA . 16501 1 87 . 1 1 27 27 GLN CB C 13 29.643 . . 1 . . . . 26 Q CB . 16501 1 88 . 1 1 27 27 GLN N N 15 119.723 . . 1 . . . . 26 Q N . 16501 1 89 . 1 1 28 28 ASP H H 1 8.533 . . 1 . . . . 27 D H . 16501 1 90 . 1 1 28 28 ASP C C 13 175.502 . . 1 . . . . 27 D C . 16501 1 91 . 1 1 28 28 ASP CA C 13 53.748 . . 1 . . . . 27 D CA . 16501 1 92 . 1 1 28 28 ASP CB C 13 38.198 . . 1 . . . . 27 D CB . 16501 1 93 . 1 1 28 28 ASP N N 15 119.952 . . 1 . . . . 27 D N . 16501 1 94 . 1 1 29 29 ILE H H 1 8.038 . . 1 . . . . 28 I H . 16501 1 95 . 1 1 29 29 ILE C C 13 176.148 . . 1 . . . . 28 I C . 16501 1 96 . 1 1 29 29 ILE CA C 13 61.888 . . 1 . . . . 28 I CA . 16501 1 97 . 1 1 29 29 ILE CB C 13 38.651 . . 1 . . . . 28 I CB . 16501 1 98 . 1 1 29 29 ILE N N 15 120.932 . . 1 . . . . 28 I N . 16501 1 99 . 1 1 30 30 LEU H H 1 8.075 . . 1 . . . . 29 L H . 16501 1 100 . 1 1 30 30 LEU C C 13 177.334 . . 1 . . . . 29 L C . 16501 1 101 . 1 1 30 30 LEU CA C 13 55.826 . . 1 . . . . 29 L CA . 16501 1 102 . 1 1 30 30 LEU N N 15 124.513 . . 1 . . . . 29 L N . 16501 1 103 . 1 1 31 31 ILE H H 1 7.984 . . 1 . . . . 30 I H . 16501 1 104 . 1 1 31 31 ILE C C 13 176.169 . . 1 . . . . 30 I C . 16501 1 105 . 1 1 31 31 ILE CA C 13 61.856 . . 1 . . . . 30 I CA . 16501 1 106 . 1 1 31 31 ILE CB C 13 38.961 . . 1 . . . . 30 I CB . 16501 1 107 . 1 1 31 31 ILE N N 15 121.122 . . 1 . . . . 30 I N . 16501 1 108 . 1 1 32 32 ARG H H 1 8.143 . . 1 . . . . 31 R H . 16501 1 109 . 1 1 32 32 ARG C C 13 176.427 . . 1 . . . . 31 R C . 16501 1 110 . 1 1 32 32 ARG CA C 13 56.418 . . 1 . . . . 31 R CA . 16501 1 111 . 1 1 32 32 ARG CB C 13 34.580 . . 1 . . . . 31 R CB . 16501 1 112 . 1 1 32 32 ARG N N 15 124.111 . . 1 . . . . 31 R N . 16501 1 113 . 1 1 33 33 LEU H H 1 8.083 . . 1 . . . . 32 L H . 16501 1 114 . 1 1 33 33 LEU C C 13 177.247 . . 1 . . . . 32 L C . 16501 1 115 . 1 1 33 33 LEU CA C 13 55.477 . . 1 . . . . 32 L CA . 16501 1 116 . 1 1 33 33 LEU CB C 13 42.296 . . 1 . . . . 32 L CB . 16501 1 117 . 1 1 33 33 LEU N N 15 122.520 . . 1 . . . . 32 L N . 16501 1 118 . 1 1 34 34 PHE H H 1 8.188 . . 1 . . . . 33 F H . 16501 1 119 . 1 1 34 34 PHE C C 13 175.851 . . 1 . . . . 33 F C . 16501 1 120 . 1 1 34 34 PHE CA C 13 57.928 . . 1 . . . . 33 F CA . 16501 1 121 . 1 1 34 34 PHE N N 15 120.416 . . 1 . . . . 33 F N . 16501 1 122 . 1 1 35 35 LYS H H 1 8.156 . . 1 . . . . 34 K H . 16501 1 123 . 1 1 35 35 LYS C C 13 176.331 . . 1 . . . . 34 K C . 16501 1 124 . 1 1 35 35 LYS CA C 13 56.532 . . 1 . . . . 34 K CA . 16501 1 125 . 1 1 35 35 LYS CB C 13 33.013 . . 1 . . . . 34 K CB . 16501 1 126 . 1 1 35 35 LYS N N 15 122.207 . . 1 . . . . 34 K N . 16501 1 127 . 1 1 36 36 SER H H 1 8.149 . . 1 . . . . 35 S H . 16501 1 128 . 1 1 36 36 SER C C 13 173.887 . . 1 . . . . 35 S C . 16501 1 129 . 1 1 36 36 SER CA C 13 58.440 . . 1 . . . . 35 S CA . 16501 1 130 . 1 1 36 36 SER CB C 13 63.887 . . 1 . . . . 35 S CB . 16501 1 131 . 1 1 36 36 SER N N 15 116.083 . . 1 . . . . 35 S N . 16501 1 132 . 1 1 37 37 HIS H H 1 8.455 . . 1 . . . . 36 H H . 16501 1 133 . 1 1 37 37 HIS CA C 13 53.544 . . 1 . . . . 36 H CA . 16501 1 134 . 1 1 37 37 HIS CB C 13 33.740 . . 1 . . . . 36 H CB . 16501 1 135 . 1 1 37 37 HIS N N 15 120.056 . . 1 . . . . 36 H N . 16501 1 136 . 1 1 38 38 PRO C C 13 177.167 . . 1 . . . . 37 P C . 16501 1 137 . 1 1 38 38 PRO CA C 13 63.552 . . 1 . . . . 37 P CA . 16501 1 138 . 1 1 38 38 PRO CB C 13 32.119 . . 1 . . . . 37 P CB . 16501 1 139 . 1 1 39 39 GLU H H 1 8.654 . . 1 . . . . 38 E H . 16501 1 140 . 1 1 39 39 GLU C C 13 176.472 . . 1 . . . . 38 E C . 16501 1 141 . 1 1 39 39 GLU CA C 13 56.266 . . 1 . . . . 38 E CA . 16501 1 142 . 1 1 39 39 GLU CB C 13 29.006 . . 1 . . . . 38 E CB . 16501 1 143 . 1 1 39 39 GLU N N 15 120.984 . . 1 . . . . 38 E N . 16501 1 144 . 1 1 40 40 THR H H 1 8.229 . . 1 . . . . 39 T H . 16501 1 145 . 1 1 40 40 THR C C 13 174.506 . . 1 . . . . 39 T C . 16501 1 146 . 1 1 40 40 THR CA C 13 62.401 . . 1 . . . . 39 T CA . 16501 1 147 . 1 1 40 40 THR CB C 13 69.677 . . 1 . . . . 39 T CB . 16501 1 148 . 1 1 40 40 THR N N 15 116.227 . . 1 . . . . 39 T N . 16501 1 149 . 1 1 41 41 LEU H H 1 8.226 . . 1 . . . . 40 L H . 16501 1 150 . 1 1 41 41 LEU C C 13 177.353 . . 1 . . . . 40 L C . 16501 1 151 . 1 1 41 41 LEU CA C 13 55.580 . . 1 . . . . 40 L CA . 16501 1 152 . 1 1 41 41 LEU CB C 13 42.390 . . 1 . . . . 40 L CB . 16501 1 153 . 1 1 41 41 LEU N N 15 124.617 . . 1 . . . . 40 L N . 16501 1 154 . 1 1 42 42 GLU H H 1 8.272 . . 1 . . . . 41 E H . 16501 1 155 . 1 1 42 42 GLU C C 13 176.286 . . 1 . . . . 41 E C . 16501 1 156 . 1 1 42 42 GLU CA C 13 56.346 . . 1 . . . . 41 E CA . 16501 1 157 . 1 1 42 42 GLU N N 15 121.109 . . 1 . . . . 41 E N . 16501 1 158 . 1 1 43 43 LYS H H 1 8.193 . . 1 . . . . 42 K H . 16501 1 159 . 1 1 43 43 LYS C C 13 176.499 . . 1 . . . . 42 K C . 16501 1 160 . 1 1 43 43 LYS CA C 13 56.893 . . 1 . . . . 42 K CA . 16501 1 161 . 1 1 43 43 LYS CB C 13 32.952 . . 1 . . . . 42 K CB . 16501 1 162 . 1 1 43 43 LYS N N 15 121.814 . . 1 . . . . 42 K N . 16501 1 163 . 1 1 44 44 PHE H H 1 8.165 . . 1 . . . . 43 F H . 16501 1 164 . 1 1 44 44 PHE C C 13 175.631 . . 1 . . . . 43 F C . 16501 1 165 . 1 1 44 44 PHE CA C 13 58.044 . . 1 . . . . 43 F CA . 16501 1 166 . 1 1 44 44 PHE CB C 13 39.672 . . 1 . . . . 43 F CB . 16501 1 167 . 1 1 44 44 PHE N N 15 120.618 . . 1 . . . . 43 F N . 16501 1 168 . 1 1 45 45 ASP H H 1 8.373 . . 1 . . . . 44 D H . 16501 1 169 . 1 1 45 45 ASP C C 13 175.612 . . 1 . . . . 44 D C . 16501 1 170 . 1 1 45 45 ASP CA C 13 53.403 . . 1 . . . . 44 D CA . 16501 1 171 . 1 1 45 45 ASP CB C 13 38.620 . . 1 . . . . 44 D CB . 16501 1 172 . 1 1 45 45 ASP N N 15 121.082 . . 1 . . . . 44 D N . 16501 1 173 . 1 1 46 46 ARG H H 1 8.139 . . 1 . . . . 45 R H . 16501 1 174 . 1 1 46 46 ARG C C 13 176.323 . . 1 . . . . 45 R C . 16501 1 175 . 1 1 46 46 ARG CA C 13 57.134 . . 1 . . . . 45 R CA . 16501 1 176 . 1 1 46 46 ARG CB C 13 30.392 . . 1 . . . . 45 R CB . 16501 1 177 . 1 1 46 46 ARG N N 15 121.775 . . 1 . . . . 45 R N . 16501 1 178 . 1 1 47 47 PHE H H 1 7.998 . . 1 . . . . 46 F H . 16501 1 179 . 1 1 47 47 PHE C C 13 175.874 . . 1 . . . . 46 F C . 16501 1 180 . 1 1 47 47 PHE CA C 13 57.925 . . 1 . . . . 46 F CA . 16501 1 181 . 1 1 47 47 PHE CB C 13 39.183 . . 1 . . . . 46 F CB . 16501 1 182 . 1 1 47 47 PHE N N 15 119.338 . . 1 . . . . 46 F N . 16501 1 183 . 1 1 48 48 LYS H H 1 7.988 . . 1 . . . . 47 K H . 16501 1 184 . 1 1 48 48 LYS C C 13 176.314 . . 1 . . . . 47 K C . 16501 1 185 . 1 1 48 48 LYS CA C 13 56.772 . . 1 . . . . 47 K CA . 16501 1 186 . 1 1 48 48 LYS CB C 13 33.070 . . 1 . . . . 47 K CB . 16501 1 187 . 1 1 48 48 LYS N N 15 121.350 . . 1 . . . . 47 K N . 16501 1 188 . 1 1 49 49 HIS H H 1 8.422 . . 1 . . . . 48 H H . 16501 1 189 . 1 1 49 49 HIS C C 13 174.396 . . 1 . . . . 48 H C . 16501 1 190 . 1 1 49 49 HIS CA C 13 55.428 . . 1 . . . . 48 H CA . 16501 1 191 . 1 1 49 49 HIS CB C 13 29.036 . . 1 . . . . 48 H CB . 16501 1 192 . 1 1 49 49 HIS N N 15 119.272 . . 1 . . . . 48 H N . 16501 1 193 . 1 1 50 50 LEU H H 1 8.260 . . 1 . . . . 49 L H . 16501 1 194 . 1 1 50 50 LEU C C 13 177.477 . . 1 . . . . 49 L C . 16501 1 195 . 1 1 50 50 LEU CA C 13 55.487 . . 1 . . . . 49 L CA . 16501 1 196 . 1 1 50 50 LEU CB C 13 42.605 . . 1 . . . . 49 L CB . 16501 1 197 . 1 1 50 50 LEU N N 15 123.592 . . 1 . . . . 49 L N . 16501 1 198 . 1 1 51 51 LYS H H 1 8.393 . . 1 . . . . 50 K H . 16501 1 199 . 1 1 51 51 LYS C C 13 176.921 . . 1 . . . . 50 K C . 16501 1 200 . 1 1 51 51 LYS CA C 13 56.748 . . 1 . . . . 50 K CA . 16501 1 201 . 1 1 51 51 LYS CB C 13 31.363 . . 1 . . . . 50 K CB . 16501 1 202 . 1 1 51 51 LYS N N 15 122.473 . . 1 . . . . 50 K N . 16501 1 203 . 1 1 52 52 THR H H 1 8.067 . . 1 . . . . 51 T H . 16501 1 204 . 1 1 52 52 THR C C 13 174.971 . . 1 . . . . 51 T C . 16501 1 205 . 1 1 52 52 THR CA C 13 61.966 . . 1 . . . . 51 T CA . 16501 1 206 . 1 1 52 52 THR CB C 13 69.979 . . 1 . . . . 51 T CB . 16501 1 207 . 1 1 52 52 THR N N 15 114.985 . . 1 . . . . 51 T N . 16501 1 208 . 1 1 53 53 GLU H H 1 8.494 . . 1 . . . . 52 E H . 16501 1 209 . 1 1 53 53 GLU C C 13 176.673 . . 1 . . . . 52 E C . 16501 1 210 . 1 1 53 53 GLU CA C 13 57.023 . . 1 . . . . 52 E CA . 16501 1 211 . 1 1 53 53 GLU CB C 13 28.637 . . 1 . . . . 52 E CB . 16501 1 212 . 1 1 53 53 GLU N N 15 122.370 . . 1 . . . . 52 E N . 16501 1 213 . 1 1 54 54 ALA H H 1 8.337 . . 1 . . . . 53 A H . 16501 1 214 . 1 1 54 54 ALA C C 13 178.733 . . 1 . . . . 53 A C . 16501 1 215 . 1 1 54 54 ALA CA C 13 53.595 . . 1 . . . . 53 A CA . 16501 1 216 . 1 1 54 54 ALA CB C 13 19.050 . . 1 . . . . 53 A CB . 16501 1 217 . 1 1 54 54 ALA N N 15 123.886 . . 1 . . . . 53 A N . 16501 1 218 . 1 1 55 55 GLU H H 1 8.135 . . 1 . . . . 54 E H . 16501 1 219 . 1 1 55 55 GLU C C 13 177.087 . . 1 . . . . 54 E C . 16501 1 220 . 1 1 55 55 GLU CA C 13 56.632 . . 1 . . . . 54 E CA . 16501 1 221 . 1 1 55 55 GLU CB C 13 28.695 . . 1 . . . . 54 E CB . 16501 1 222 . 1 1 55 55 GLU N N 15 118.991 . . 1 . . . . 54 E N . 16501 1 223 . 1 1 56 56 MET H H 1 8.325 . . 1 . . . . 55 M H . 16501 1 224 . 1 1 56 56 MET C C 13 176.970 . . 1 . . . . 55 M C . 16501 1 225 . 1 1 56 56 MET CA C 13 56.559 . . 1 . . . . 55 M CA . 16501 1 226 . 1 1 56 56 MET CB C 13 32.782 . . 1 . . . . 55 M CB . 16501 1 227 . 1 1 56 56 MET N N 15 121.494 . . 1 . . . . 55 M N . 16501 1 228 . 1 1 57 57 LYS H H 1 8.260 . . 1 . . . . 56 K H . 16501 1 229 . 1 1 57 57 LYS C C 13 176.995 . . 1 . . . . 56 K C . 16501 1 230 . 1 1 57 57 LYS CA C 13 57.168 . . 1 . . . . 56 K CA . 16501 1 231 . 1 1 57 57 LYS CB C 13 32.880 . . 1 . . . . 56 K CB . 16501 1 232 . 1 1 57 57 LYS N N 15 122.095 . . 1 . . . . 56 K N . 16501 1 233 . 1 1 58 58 ALA H H 1 8.186 . . 1 . . . . 57 A H . 16501 1 234 . 1 1 58 58 ALA C C 13 178.508 . . 1 . . . . 57 A C . 16501 1 235 . 1 1 58 58 ALA CA C 13 53.354 . . 1 . . . . 57 A CA . 16501 1 236 . 1 1 58 58 ALA CB C 13 19.054 . . 1 . . . . 57 A CB . 16501 1 237 . 1 1 58 58 ALA N N 15 124.101 . . 1 . . . . 57 A N . 16501 1 238 . 1 1 59 59 SER H H 1 8.174 . . 1 . . . . 58 S H . 16501 1 239 . 1 1 59 59 SER C C 13 175.203 . . 1 . . . . 58 S C . 16501 1 240 . 1 1 59 59 SER CA C 13 59.123 . . 1 . . . . 58 S CA . 16501 1 241 . 1 1 59 59 SER CB C 13 63.680 . . 1 . . . . 58 S CB . 16501 1 242 . 1 1 59 59 SER N N 15 114.384 . . 1 . . . . 58 S N . 16501 1 243 . 1 1 60 60 GLU H H 1 8.218 . . 1 . . . . 59 E H . 16501 1 244 . 1 1 60 60 GLU C C 13 176.176 . . 1 . . . . 59 E C . 16501 1 245 . 1 1 60 60 GLU CA C 13 56.456 . . 1 . . . . 59 E CA . 16501 1 246 . 1 1 60 60 GLU CB C 13 28.772 . . 1 . . . . 59 E CB . 16501 1 247 . 1 1 60 60 GLU N N 15 121.684 . . 1 . . . . 59 E N . 16501 1 248 . 1 1 61 61 ASP H H 1 8.368 . . 1 . . . . 60 D H . 16501 1 249 . 1 1 61 61 ASP C C 13 175.441 . . 1 . . . . 60 D C . 16501 1 250 . 1 1 61 61 ASP CA C 13 53.551 . . 1 . . . . 60 D CA . 16501 1 251 . 1 1 61 61 ASP CB C 13 38.331 . . 1 . . . . 60 D CB . 16501 1 252 . 1 1 61 61 ASP N N 15 119.595 . . 1 . . . . 60 D N . 16501 1 253 . 1 1 62 62 LEU H H 1 8.092 . . 1 . . . . 61 L H . 16501 1 254 . 1 1 62 62 LEU C C 13 177.552 . . 1 . . . . 61 L C . 16501 1 255 . 1 1 62 62 LEU CA C 13 55.695 . . 1 . . . . 61 L CA . 16501 1 256 . 1 1 62 62 LEU CB C 13 42.255 . . 1 . . . . 61 L CB . 16501 1 257 . 1 1 62 62 LEU N N 15 122.572 . . 1 . . . . 61 L N . 16501 1 258 . 1 1 63 63 LYS H H 1 8.117 . . 1 . . . . 62 K H . 16501 1 259 . 1 1 63 63 LYS C C 13 176.681 . . 1 . . . . 62 K C . 16501 1 260 . 1 1 63 63 LYS CA C 13 56.440 . . 1 . . . . 62 K CA . 16501 1 261 . 1 1 63 63 LYS CB C 13 32.871 . . 1 . . . . 62 K CB . 16501 1 262 . 1 1 63 63 LYS N N 15 121.213 . . 1 . . . . 62 K N . 16501 1 263 . 1 1 64 64 LYS H H 1 8.170 . . 1 . . . . 63 K H . 16501 1 264 . 1 1 64 64 LYS C C 13 176.430 . . 1 . . . . 63 K C . 16501 1 265 . 1 1 64 64 LYS CA C 13 56.550 . . 1 . . . . 63 K CA . 16501 1 266 . 1 1 64 64 LYS CB C 13 33.106 . . 1 . . . . 63 K CB . 16501 1 267 . 1 1 64 64 LYS N N 15 122.193 . . 1 . . . . 63 K N . 16501 1 268 . 1 1 65 65 HIS H H 1 8.520 . . 1 . . . . 64 H H . 16501 1 269 . 1 1 65 65 HIS C C 13 174.767 . . 1 . . . . 64 H C . 16501 1 270 . 1 1 65 65 HIS CA C 13 55.355 . . 1 . . . . 64 H CA . 16501 1 271 . 1 1 65 65 HIS CB C 13 29.337 . . 1 . . . . 64 H CB . 16501 1 272 . 1 1 65 65 HIS N N 15 119.599 . . 1 . . . . 64 H N . 16501 1 273 . 1 1 66 66 GLY H H 1 8.466 . . 1 . . . . 65 G H . 16501 1 274 . 1 1 66 66 GLY C C 13 173.826 . . 1 . . . . 65 G C . 16501 1 275 . 1 1 66 66 GLY CA C 13 45.398 . . 1 . . . . 65 G CA . 16501 1 276 . 1 1 66 66 GLY N N 15 110.457 . . 1 . . . . 65 G N . 16501 1 277 . 1 1 67 67 VAL H H 1 8.135 . . 1 . . . . 66 V H . 16501 1 278 . 1 1 67 67 VAL C C 13 176.394 . . 1 . . . . 66 V C . 16501 1 279 . 1 1 67 67 VAL CA C 13 62.208 . . 1 . . . . 66 V CA . 16501 1 280 . 1 1 67 67 VAL CB C 13 33.148 . . 1 . . . . 66 V CB . 16501 1 281 . 1 1 67 67 VAL N N 15 119.534 . . 1 . . . . 66 V N . 16501 1 282 . 1 1 68 68 THR H H 1 8.377 . . 1 . . . . 67 T H . 16501 1 283 . 1 1 68 68 THR C C 13 174.261 . . 1 . . . . 67 T C . 16501 1 284 . 1 1 68 68 THR CA C 13 62.158 . . 1 . . . . 67 T CA . 16501 1 285 . 1 1 68 68 THR CB C 13 69.878 . . 1 . . . . 67 T CB . 16501 1 286 . 1 1 68 68 THR N N 15 119.893 . . 1 . . . . 67 T N . 16501 1 287 . 1 1 69 69 VAL H H 1 8.308 . . 1 . . . . 68 V H . 16501 1 288 . 1 1 69 69 VAL C C 13 175.897 . . 1 . . . . 68 V C . 16501 1 289 . 1 1 69 69 VAL CA C 13 62.334 . . 1 . . . . 68 V CA . 16501 1 290 . 1 1 69 69 VAL CB C 13 32.877 . . 1 . . . . 68 V CB . 16501 1 291 . 1 1 69 69 VAL N N 15 124.265 . . 1 . . . . 68 V N . 16501 1 292 . 1 1 70 70 LEU H H 1 8.414 . . 1 . . . . 69 L H . 16501 1 293 . 1 1 70 70 LEU C C 13 177.544 . . 1 . . . . 69 L C . 16501 1 294 . 1 1 70 70 LEU CA C 13 55.289 . . 1 . . . . 69 L CA . 16501 1 295 . 1 1 70 70 LEU CB C 13 42.434 . . 1 . . . . 69 L CB . 16501 1 296 . 1 1 70 70 LEU N N 15 126.585 . . 1 . . . . 69 L N . 16501 1 297 . 1 1 71 71 THR H H 1 8.104 . . 1 . . . . 70 T H . 16501 1 298 . 1 1 71 71 THR C C 13 174.346 . . 1 . . . . 70 T C . 16501 1 299 . 1 1 71 71 THR CA C 13 61.986 . . 1 . . . . 70 T CA . 16501 1 300 . 1 1 71 71 THR CB C 13 69.850 . . 1 . . . . 70 T CB . 16501 1 301 . 1 1 71 71 THR N N 15 115.534 . . 1 . . . . 70 T N . 16501 1 302 . 1 1 72 72 ALA H H 1 8.345 . . 1 . . . . 71 A H . 16501 1 303 . 1 1 72 72 ALA C C 13 177.946 . . 1 . . . . 71 A C . 16501 1 304 . 1 1 72 72 ALA CA C 13 52.808 . . 1 . . . . 71 A CA . 16501 1 305 . 1 1 72 72 ALA CB C 13 19.142 . . 1 . . . . 71 A CB . 16501 1 306 . 1 1 72 72 ALA N N 15 126.513 . . 1 . . . . 71 A N . 16501 1 307 . 1 1 73 73 LEU H H 1 8.212 . . 1 . . . . 72 L H . 16501 1 308 . 1 1 73 73 LEU C C 13 178.255 . . 1 . . . . 72 L C . 16501 1 309 . 1 1 73 73 LEU CA C 13 55.873 . . 1 . . . . 72 L CA . 16501 1 310 . 1 1 73 73 LEU CB C 13 42.342 . . 1 . . . . 72 L CB . 16501 1 311 . 1 1 73 73 LEU N N 15 121.416 . . 1 . . . . 72 L N . 16501 1 312 . 1 1 74 74 GLY H H 1 8.344 . . 1 . . . . 73 G H . 16501 1 313 . 1 1 74 74 GLY C C 13 174.307 . . 1 . . . . 73 G C . 16501 1 314 . 1 1 74 74 GLY CA C 13 45.826 . . 1 . . . . 73 G CA . 16501 1 315 . 1 1 74 74 GLY N N 15 108.855 . . 1 . . . . 73 G N . 16501 1 316 . 1 1 75 75 ALA H H 1 8.041 . . 1 . . . . 74 A H . 16501 1 317 . 1 1 75 75 ALA C C 13 178.199 . . 1 . . . . 74 A C . 16501 1 318 . 1 1 75 75 ALA CA C 13 53.005 . . 1 . . . . 74 A CA . 16501 1 319 . 1 1 75 75 ALA CB C 13 19.238 . . 1 . . . . 74 A CB . 16501 1 320 . 1 1 75 75 ALA N N 15 123.507 . . 1 . . . . 74 A N . 16501 1 321 . 1 1 76 76 ILE H H 1 8.012 . . 1 . . . . 75 I H . 16501 1 322 . 1 1 76 76 ILE C C 13 176.679 . . 1 . . . . 75 I C . 16501 1 323 . 1 1 76 76 ILE CA C 13 61.701 . . 1 . . . . 75 I CA . 16501 1 324 . 1 1 76 76 ILE CB C 13 38.534 . . 1 . . . . 75 I CB . 16501 1 325 . 1 1 76 76 ILE N N 15 119.919 . . 1 . . . . 75 I N . 16501 1 326 . 1 1 77 77 LEU H H 1 8.207 . . 1 . . . . 76 L H . 16501 1 327 . 1 1 77 77 LEU C C 13 177.538 . . 1 . . . . 76 L C . 16501 1 328 . 1 1 77 77 LEU CA C 13 55.509 . . 1 . . . . 76 L CA . 16501 1 329 . 1 1 77 77 LEU CB C 13 42.242 . . 1 . . . . 76 L CB . 16501 1 330 . 1 1 77 77 LEU N N 15 125.422 . . 1 . . . . 76 L N . 16501 1 331 . 1 1 78 78 LYS H H 1 8.164 . . 1 . . . . 77 K H . 16501 1 332 . 1 1 78 78 LYS C C 13 176.671 . . 1 . . . . 77 K C . 16501 1 333 . 1 1 78 78 LYS CA C 13 56.439 . . 1 . . . . 77 K CA . 16501 1 334 . 1 1 78 78 LYS CB C 13 32.962 . . 1 . . . . 77 K CB . 16501 1 335 . 1 1 78 78 LYS N N 15 121.860 . . 1 . . . . 77 K N . 16501 1 336 . 1 1 79 79 LYS H H 1 8.171 . . 1 . . . . 78 K H . 16501 1 337 . 1 1 79 79 LYS C C 13 176.705 . . 1 . . . . 78 K C . 16501 1 338 . 1 1 79 79 LYS CA C 13 56.539 . . 1 . . . . 78 K CA . 16501 1 339 . 1 1 79 79 LYS CB C 13 33.032 . . 1 . . . . 78 K CB . 16501 1 340 . 1 1 79 79 LYS N N 15 122.062 . . 1 . . . . 78 K N . 16501 1 341 . 1 1 80 80 LYS H H 1 8.331 . . 1 . . . . 79 K H . 16501 1 342 . 1 1 80 80 LYS C C 13 177.108 . . 1 . . . . 79 K C . 16501 1 343 . 1 1 80 80 LYS CA C 13 56.634 . . 1 . . . . 79 K CA . 16501 1 344 . 1 1 80 80 LYS CB C 13 33.266 . . 1 . . . . 79 K CB . 16501 1 345 . 1 1 80 80 LYS N N 15 122.670 . . 1 . . . . 79 K N . 16501 1 346 . 1 1 81 81 GLY H H 1 8.368 . . 1 . . . . 80 G H . 16501 1 347 . 1 1 81 81 GLY C C 13 173.612 . . 1 . . . . 80 G C . 16501 1 348 . 1 1 81 81 GLY CA C 13 45.276 . . 1 . . . . 80 G CA . 16501 1 349 . 1 1 81 81 GLY N N 15 109.672 . . 1 . . . . 80 G N . 16501 1 350 . 1 1 82 82 HIS H H 1 8.421 . . 1 . . . . 81 H H . 16501 1 351 . 1 1 82 82 HIS C C 13 174.140 . . 1 . . . . 81 H C . 16501 1 352 . 1 1 82 82 HIS CA C 13 55.218 . . 1 . . . . 81 H CA . 16501 1 353 . 1 1 82 82 HIS CB C 13 29.411 . . 1 . . . . 81 H CB . 16501 1 354 . 1 1 82 82 HIS N N 15 118.050 . . 1 . . . . 81 H N . 16501 1 355 . 1 1 83 83 HIS H H 1 8.679 . . 1 . . . . 82 H H . 16501 1 356 . 1 1 83 83 HIS C C 13 174.057 . . 1 . . . . 82 H C . 16501 1 357 . 1 1 83 83 HIS CA C 13 55.397 . . 1 . . . . 82 H CA . 16501 1 358 . 1 1 83 83 HIS CB C 13 29.277 . . 1 . . . . 82 H CB . 16501 1 359 . 1 1 83 83 HIS N N 15 120.965 . . 1 . . . . 82 H N . 16501 1 360 . 1 1 84 84 GLU H H 1 8.523 . . 1 . . . . 83 E H . 16501 1 361 . 1 1 84 84 GLU C C 13 175.395 . . 1 . . . . 83 E C . 16501 1 362 . 1 1 84 84 GLU CA C 13 55.708 . . 1 . . . . 83 E CA . 16501 1 363 . 1 1 84 84 GLU CB C 13 29.295 . . 1 . . . . 83 E CB . 16501 1 364 . 1 1 84 84 GLU N N 15 123.134 . . 1 . . . . 83 E N . 16501 1 365 . 1 1 85 85 ALA H H 1 8.458 . . 1 . . . . 84 A H . 16501 1 366 . 1 1 85 85 ALA C C 13 177.352 . . 1 . . . . 84 A C . 16501 1 367 . 1 1 85 85 ALA CA C 13 52.529 . . 1 . . . . 84 A CA . 16501 1 368 . 1 1 85 85 ALA CB C 13 19.388 . . 1 . . . . 84 A CB . 16501 1 369 . 1 1 85 85 ALA N N 15 126.016 . . 1 . . . . 84 A N . 16501 1 370 . 1 1 86 86 GLU H H 1 8.352 . . 1 . . . . 85 E H . 16501 1 371 . 1 1 86 86 GLU C C 13 175.763 . . 1 . . . . 85 E C . 16501 1 372 . 1 1 86 86 GLU CA C 13 55.554 . . 1 . . . . 85 E CA . 16501 1 373 . 1 1 86 86 GLU CB C 13 29.086 . . 1 . . . . 85 E CB . 16501 1 374 . 1 1 86 86 GLU N N 15 120.155 . . 1 . . . . 85 E N . 16501 1 375 . 1 1 87 87 LEU H H 1 8.326 . . 1 . . . . 86 L H . 16501 1 376 . 1 1 87 87 LEU C C 13 176.941 . . 1 . . . . 86 L C . 16501 1 377 . 1 1 87 87 LEU CA C 13 55.071 . . 1 . . . . 86 L CA . 16501 1 378 . 1 1 87 87 LEU CB C 13 42.446 . . 1 . . . . 86 L CB . 16501 1 379 . 1 1 87 87 LEU N N 15 124.598 . . 1 . . . . 86 L N . 16501 1 380 . 1 1 88 88 LYS H H 1 8.329 . . 1 . . . . 87 K H . 16501 1 381 . 1 1 88 88 LYS CA C 13 54.173 . . 1 . . . . 87 K CA . 16501 1 382 . 1 1 88 88 LYS CB C 13 32.621 . . 1 . . . . 87 K CB . 16501 1 383 . 1 1 88 88 LYS N N 15 123.889 . . 1 . . . . 87 K N . 16501 1 384 . 1 1 89 89 PRO C C 13 176.906 . . 1 . . . . 88 P C . 16501 1 385 . 1 1 89 89 PRO CA C 13 62.960 . . 1 . . . . 88 P CA . 16501 1 386 . 1 1 89 89 PRO CB C 13 32.201 . . 1 . . . . 88 P CB . 16501 1 387 . 1 1 90 90 LEU H H 1 8.349 . . 1 . . . . 89 L H . 16501 1 388 . 1 1 90 90 LEU C C 13 177.395 . . 1 . . . . 89 L C . 16501 1 389 . 1 1 90 90 LEU CA C 13 55.225 . . 1 . . . . 89 L CA . 16501 1 390 . 1 1 90 90 LEU CB C 13 42.503 . . 1 . . . . 89 L CB . 16501 1 391 . 1 1 90 90 LEU N N 15 122.925 . . 1 . . . . 89 L N . 16501 1 392 . 1 1 91 91 ALA H H 1 8.332 . . 1 . . . . 90 A H . 16501 1 393 . 1 1 91 91 ALA C C 13 177.684 . . 1 . . . . 90 A C . 16501 1 394 . 1 1 91 91 ALA CA C 13 52.592 . . 1 . . . . 90 A CA . 16501 1 395 . 1 1 91 91 ALA CB C 13 19.379 . . 1 . . . . 90 A CB . 16501 1 396 . 1 1 91 91 ALA N N 15 125.350 . . 1 . . . . 90 A N . 16501 1 397 . 1 1 92 92 GLN H H 1 8.368 . . 1 . . . . 91 Q H . 16501 1 398 . 1 1 92 92 GLN C C 13 176.041 . . 1 . . . . 91 Q C . 16501 1 399 . 1 1 92 92 GLN CA C 13 55.706 . . 1 . . . . 91 Q CA . 16501 1 400 . 1 1 92 92 GLN CB C 13 29.758 . . 1 . . . . 91 Q CB . 16501 1 401 . 1 1 92 92 GLN N N 15 119.893 . . 1 . . . . 91 Q N . 16501 1 402 . 1 1 93 93 SER H H 1 8.357 . . 1 . . . . 92 S H . 16501 1 403 . 1 1 93 93 SER C C 13 174.509 . . 1 . . . . 92 S C . 16501 1 404 . 1 1 93 93 SER CA C 13 58.367 . . 1 . . . . 92 S CA . 16501 1 405 . 1 1 93 93 SER CB C 13 63.811 . . 1 . . . . 92 S CB . 16501 1 406 . 1 1 93 93 SER N N 15 117.175 . . 1 . . . . 92 S N . 16501 1 407 . 1 1 94 94 HIS H H 1 8.600 . . 1 . . . . 93 H H . 16501 1 408 . 1 1 94 94 HIS C C 13 173.984 . . 1 . . . . 93 H C . 16501 1 409 . 1 1 94 94 HIS CA C 13 55.105 . . 1 . . . . 93 H CA . 16501 1 410 . 1 1 94 94 HIS CB C 13 29.117 . . 1 . . . . 93 H CB . 16501 1 411 . 1 1 94 94 HIS N N 15 120.566 . . 1 . . . . 93 H N . 16501 1 412 . 1 1 95 95 ALA H H 1 8.344 . . 1 . . . . 94 A H . 16501 1 413 . 1 1 95 95 ALA C C 13 177.779 . . 1 . . . . 94 A C . 16501 1 414 . 1 1 95 95 ALA CA C 13 52.607 . . 1 . . . . 94 A CA . 16501 1 415 . 1 1 95 95 ALA CB C 13 19.388 . . 1 . . . . 94 A CB . 16501 1 416 . 1 1 95 95 ALA N N 15 125.284 . . 1 . . . . 94 A N . 16501 1 417 . 1 1 96 96 THR H H 1 8.271 . . 1 . . . . 95 T H . 16501 1 418 . 1 1 96 96 THR C C 13 174.376 . . 1 . . . . 95 T C . 16501 1 419 . 1 1 96 96 THR CA C 13 61.847 . . 1 . . . . 95 T CA . 16501 1 420 . 1 1 96 96 THR CB C 13 69.937 . . 1 . . . . 95 T CB . 16501 1 421 . 1 1 96 96 THR N N 15 115.031 . . 1 . . . . 95 T N . 16501 1 422 . 1 1 97 97 LYS H H 1 8.377 . . 1 . . . . 96 K H . 16501 1 423 . 1 1 97 97 LYS C C 13 176.213 . . 1 . . . . 96 K C . 16501 1 424 . 1 1 97 97 LYS CA C 13 56.237 . . 1 . . . . 96 K CA . 16501 1 425 . 1 1 97 97 LYS CB C 13 33.198 . . 1 . . . . 96 K CB . 16501 1 426 . 1 1 97 97 LYS N N 15 124.167 . . 1 . . . . 96 K N . 16501 1 427 . 1 1 98 98 HIS H H 1 8.567 . . 1 . . . . 97 H H . 16501 1 428 . 1 1 98 98 HIS C C 13 174.036 . . 1 . . . . 97 H C . 16501 1 429 . 1 1 98 98 HIS CA C 13 54.997 . . 1 . . . . 97 H CA . 16501 1 430 . 1 1 98 98 HIS CB C 13 29.400 . . 1 . . . . 97 H CB . 16501 1 431 . 1 1 98 98 HIS N N 15 120.337 . . 1 . . . . 97 H N . 16501 1 432 . 1 1 99 99 LYS H H 1 8.504 . . 1 . . . . 98 K H . 16501 1 433 . 1 1 99 99 LYS C C 13 176.100 . . 1 . . . . 98 K C . 16501 1 434 . 1 1 99 99 LYS CA C 13 56.370 . . 1 . . . . 98 K CA . 16501 1 435 . 1 1 99 99 LYS CB C 13 33.146 . . 1 . . . . 98 K CB . 16501 1 436 . 1 1 99 99 LYS N N 15 124.056 . . 1 . . . . 98 K N . 16501 1 437 . 1 1 100 100 ILE H H 1 8.320 . . 1 . . . . 99 I H . 16501 1 438 . 1 1 100 100 ILE CA C 13 58.651 . . 1 . . . . 99 I CA . 16501 1 439 . 1 1 100 100 ILE CB C 13 38.859 . . 1 . . . . 99 I CB . 16501 1 440 . 1 1 100 100 ILE N N 15 124.873 . . 1 . . . . 99 I N . 16501 1 441 . 1 1 101 101 PRO C C 13 177.530 . . 1 . . . . 100 P C . 16501 1 442 . 1 1 101 101 PRO CA C 13 63.009 . . 1 . . . . 100 P CA . 16501 1 443 . 1 1 101 101 PRO CB C 13 32.880 . . 1 . . . . 100 P CB . 16501 1 444 . 1 1 102 102 ILE H H 1 8.163 . . 1 . . . . 101 I H . 16501 1 445 . 1 1 102 102 ILE C C 13 176.300 . . 1 . . . . 101 I C . 16501 1 446 . 1 1 102 102 ILE CA C 13 61.607 . . 1 . . . . 101 I CA . 16501 1 447 . 1 1 102 102 ILE CB C 13 38.778 . . 1 . . . . 101 I CB . 16501 1 448 . 1 1 102 102 ILE N N 15 122.073 . . 1 . . . . 101 I N . 16501 1 449 . 1 1 103 103 LYS H H 1 8.276 . . 1 . . . . 102 K H . 16501 1 450 . 1 1 103 103 LYS C C 13 176.198 . . 1 . . . . 102 K C . 16501 1 451 . 1 1 103 103 LYS CA C 13 56.438 . . 1 . . . . 102 K CA . 16501 1 452 . 1 1 103 103 LYS CB C 13 32.977 . . 1 . . . . 102 K CB . 16501 1 453 . 1 1 103 103 LYS N N 15 124.631 . . 1 . . . . 102 K N . 16501 1 454 . 1 1 104 104 TYR H H 1 8.100 . . 1 . . . . 103 Y H . 16501 1 455 . 1 1 104 104 TYR C C 13 175.691 . . 1 . . . . 103 Y C . 16501 1 456 . 1 1 104 104 TYR CA C 13 58.141 . . 1 . . . . 103 Y CA . 16501 1 457 . 1 1 104 104 TYR CB C 13 38.775 . . 1 . . . . 103 Y CB . 16501 1 458 . 1 1 104 104 TYR N N 15 121.610 . . 1 . . . . 103 Y N . 16501 1 459 . 1 1 105 105 LEU H H 1 8.084 . . 1 . . . . 104 L H . 16501 1 460 . 1 1 105 105 LEU C C 13 177.060 . . 1 . . . . 104 L C . 16501 1 461 . 1 1 105 105 LEU CA C 13 55.405 . . 1 . . . . 104 L CA . 16501 1 462 . 1 1 105 105 LEU CB C 13 42.352 . . 1 . . . . 104 L CB . 16501 1 463 . 1 1 105 105 LEU N N 15 123.383 . . 1 . . . . 104 L N . 16501 1 464 . 1 1 106 106 GLU H H 1 8.105 . . 1 . . . . 105 E H . 16501 1 465 . 1 1 106 106 GLU C C 13 175.678 . . 1 . . . . 105 E C . 16501 1 466 . 1 1 106 106 GLU CA C 13 56.186 . . 1 . . . . 105 E CA . 16501 1 467 . 1 1 106 106 GLU CB C 13 28.893 . . 1 . . . . 105 E CB . 16501 1 468 . 1 1 106 106 GLU N N 15 120.436 . . 1 . . . . 105 E N . 16501 1 469 . 1 1 107 107 PHE H H 1 8.136 . . 1 . . . . 106 F H . 16501 1 470 . 1 1 107 107 PHE C C 13 175.711 . . 1 . . . . 106 F C . 16501 1 471 . 1 1 107 107 PHE CA C 13 58.028 . . 1 . . . . 106 F CA . 16501 1 472 . 1 1 107 107 PHE CB C 13 39.608 . . 1 . . . . 106 F CB . 16501 1 473 . 1 1 107 107 PHE N N 15 121.021 . . 1 . . . . 106 F N . 16501 1 474 . 1 1 108 108 ILE H H 1 8.018 . . 1 . . . . 107 I H . 16501 1 475 . 1 1 108 108 ILE C C 13 176.042 . . 1 . . . . 107 I C . 16501 1 476 . 1 1 108 108 ILE CA C 13 61.261 . . 1 . . . . 107 I CA . 16501 1 477 . 1 1 108 108 ILE CB C 13 38.952 . . 1 . . . . 107 I CB . 16501 1 478 . 1 1 108 108 ILE N N 15 122.638 . . 1 . . . . 107 I N . 16501 1 479 . 1 1 109 109 SER H H 1 8.200 . . 1 . . . . 108 S H . 16501 1 480 . 1 1 109 109 SER C C 13 174.829 . . 1 . . . . 108 S C . 16501 1 481 . 1 1 109 109 SER CA C 13 58.670 . . 1 . . . . 108 S CA . 16501 1 482 . 1 1 109 109 SER CB C 13 63.772 . . 1 . . . . 108 S CB . 16501 1 483 . 1 1 109 109 SER N N 15 119.043 . . 1 . . . . 108 S N . 16501 1 484 . 1 1 110 110 GLU H H 1 8.321 . . 1 . . . . 109 E H . 16501 1 485 . 1 1 110 110 GLU C C 13 175.918 . . 1 . . . . 109 E C . 16501 1 486 . 1 1 110 110 GLU CA C 13 56.195 . . 1 . . . . 109 E CA . 16501 1 487 . 1 1 110 110 GLU CB C 13 28.793 . . 1 . . . . 109 E CB . 16501 1 488 . 1 1 110 110 GLU N N 15 122.331 . . 1 . . . . 109 E N . 16501 1 489 . 1 1 111 111 ALA H H 1 8.167 . . 1 . . . . 110 A H . 16501 1 490 . 1 1 111 111 ALA C C 13 177.894 . . 1 . . . . 110 A C . 16501 1 491 . 1 1 111 111 ALA CA C 13 53.225 . . 1 . . . . 110 A CA . 16501 1 492 . 1 1 111 111 ALA CB C 13 19.063 . . 1 . . . . 110 A CB . 16501 1 493 . 1 1 111 111 ALA N N 15 124.278 . . 1 . . . . 110 A N . 16501 1 494 . 1 1 112 112 ILE H H 1 7.955 . . 1 . . . . 111 I H . 16501 1 495 . 1 1 112 112 ILE C C 13 176.293 . . 1 . . . . 111 I C . 16501 1 496 . 1 1 112 112 ILE CA C 13 61.548 . . 1 . . . . 111 I CA . 16501 1 497 . 1 1 112 112 ILE CB C 13 38.826 . . 1 . . . . 111 I CB . 16501 1 498 . 1 1 112 112 ILE N N 15 119.609 . . 1 . . . . 111 I N . 16501 1 499 . 1 1 113 113 ILE H H 1 8.028 . . 1 . . . . 112 I H . 16501 1 500 . 1 1 113 113 ILE C C 13 176.227 . . 1 . . . . 112 I C . 16501 1 501 . 1 1 113 113 ILE CA C 13 61.339 . . 1 . . . . 112 I CA . 16501 1 502 . 1 1 113 113 ILE N N 15 124.089 . . 1 . . . . 112 I N . 16501 1 503 . 1 1 114 114 HIS H H 1 8.525 . . 1 . . . . 113 H H . 16501 1 504 . 1 1 114 114 HIS C C 13 174.276 . . 1 . . . . 113 H C . 16501 1 505 . 1 1 114 114 HIS CA C 13 55.323 . . 1 . . . . 113 H CA . 16501 1 506 . 1 1 114 114 HIS CB C 13 28.781 . . 1 . . . . 113 H CB . 16501 1 507 . 1 1 114 114 HIS N N 15 122.372 . . 1 . . . . 113 H N . 16501 1 508 . 1 1 115 115 VAL H H 1 8.169 . . 1 . . . . 114 V H . 16501 1 509 . 1 1 115 115 VAL C C 13 175.915 . . 1 . . . . 114 V C . 16501 1 510 . 1 1 115 115 VAL CA C 13 62.515 . . 1 . . . . 114 V CA . 16501 1 511 . 1 1 115 115 VAL CB C 13 32.961 . . 1 . . . . 114 V CB . 16501 1 512 . 1 1 115 115 VAL N N 15 122.269 . . 1 . . . . 114 V N . 16501 1 513 . 1 1 116 116 LEU H H 1 8.371 . . 1 . . . . 115 L H . 16501 1 514 . 1 1 116 116 LEU C C 13 177.208 . . 1 . . . . 115 L C . 16501 1 515 . 1 1 116 116 LEU CA C 13 55.265 . . 1 . . . . 115 L CA . 16501 1 516 . 1 1 116 116 LEU CB C 13 42.585 . . 1 . . . . 115 L CB . 16501 1 517 . 1 1 116 116 LEU N N 15 126.010 . . 1 . . . . 115 L N . 16501 1 518 . 1 1 117 117 HIS H H 1 8.524 . . 1 . . . . 116 H H . 16501 1 519 . 1 1 117 117 HIS C C 13 174.343 . . 1 . . . . 116 H C . 16501 1 520 . 1 1 117 117 HIS CA C 13 55.139 . . 1 . . . . 116 H CA . 16501 1 521 . 1 1 117 117 HIS CB C 13 29.117 . . 1 . . . . 116 H CB . 16501 1 522 . 1 1 117 117 HIS N N 15 119.102 . . 1 . . . . 116 H N . 16501 1 523 . 1 1 118 118 SER H H 1 8.271 . . 1 . . . . 117 S H . 16501 1 524 . 1 1 118 118 SER C C 13 174.303 . . 1 . . . . 117 S C . 16501 1 525 . 1 1 118 118 SER CA C 13 58.352 . . 1 . . . . 117 S CA . 16501 1 526 . 1 1 118 118 SER CB C 13 63.979 . . 1 . . . . 117 S CB . 16501 1 527 . 1 1 118 118 SER N N 15 116.828 . . 1 . . . . 117 S N . 16501 1 528 . 1 1 119 119 ARG H H 1 8.425 . . 1 . . . . 118 R H . 16501 1 529 . 1 1 119 119 ARG C C 13 175.840 . . 1 . . . . 118 R C . 16501 1 530 . 1 1 119 119 ARG CA C 13 56.220 . . 1 . . . . 118 R CA . 16501 1 531 . 1 1 119 119 ARG CB C 13 33.204 . . 1 . . . . 118 R CB . 16501 1 532 . 1 1 119 119 ARG N N 15 122.530 . . 1 . . . . 118 R N . 16501 1 533 . 1 1 120 120 HIS H H 1 8.487 . . 1 . . . . 119 H H . 16501 1 534 . 1 1 120 120 HIS CA C 13 53.277 . . 1 . . . . 119 H CA . 16501 1 535 . 1 1 120 120 HIS CB C 13 29.342 . . 1 . . . . 119 H CB . 16501 1 536 . 1 1 120 120 HIS N N 15 119.828 . . 1 . . . . 119 H N . 16501 1 537 . 1 1 121 121 PRO C C 13 177.426 . . 1 . . . . 120 P C . 16501 1 538 . 1 1 121 121 PRO CA C 13 63.624 . . 1 . . . . 120 P CA . 16501 1 539 . 1 1 122 122 GLY H H 1 8.504 . . 1 . . . . 121 G H . 16501 1 540 . 1 1 122 122 GLY C C 13 173.779 . . 1 . . . . 121 G C . 16501 1 541 . 1 1 122 122 GLY CA C 13 45.504 . . 1 . . . . 121 G CA . 16501 1 542 . 1 1 122 122 GLY N N 15 109.208 . . 1 . . . . 121 G N . 16501 1 543 . 1 1 123 123 ASP H H 1 8.171 . . 1 . . . . 122 D H . 16501 1 544 . 1 1 123 123 ASP C C 13 175.060 . . 1 . . . . 122 D C . 16501 1 545 . 1 1 123 123 ASP CA C 13 52.922 . . 1 . . . . 122 D CA . 16501 1 546 . 1 1 123 123 ASP N N 15 118.769 . . 1 . . . . 122 D N . 16501 1 547 . 1 1 124 124 PHE H H 1 8.252 . . 1 . . . . 123 F H . 16501 1 548 . 1 1 124 124 PHE C C 13 176.277 . . 1 . . . . 123 F C . 16501 1 549 . 1 1 124 124 PHE CA C 13 58.070 . . 1 . . . . 123 F CA . 16501 1 550 . 1 1 124 124 PHE CB C 13 39.588 . . 1 . . . . 123 F CB . 16501 1 551 . 1 1 124 124 PHE N N 15 120.828 . . 1 . . . . 123 F N . 16501 1 552 . 1 1 125 125 GLY H H 1 8.340 . . 1 . . . . 124 G H . 16501 1 553 . 1 1 125 125 GLY C C 13 174.146 . . 1 . . . . 124 G C . 16501 1 554 . 1 1 125 125 GLY CA C 13 45.556 . . 1 . . . . 124 G CA . 16501 1 555 . 1 1 125 125 GLY N N 15 110.195 . . 1 . . . . 124 G N . 16501 1 556 . 1 1 126 126 ALA H H 1 8.164 . . 1 . . . . 125 A H . 16501 1 557 . 1 1 126 126 ALA C C 13 177.964 . . 1 . . . . 125 A C . 16501 1 558 . 1 1 126 126 ALA CA C 13 53.094 . . 1 . . . . 125 A CA . 16501 1 559 . 1 1 126 126 ALA CB C 13 19.237 . . 1 . . . . 125 A CB . 16501 1 560 . 1 1 126 126 ALA N N 15 123.631 . . 1 . . . . 125 A N . 16501 1 561 . 1 1 127 127 ASP H H 1 8.431 . . 1 . . . . 126 D H . 16501 1 562 . 1 1 127 127 ASP C C 13 175.366 . . 1 . . . . 126 D C . 16501 1 563 . 1 1 127 127 ASP CA C 13 53.229 . . 1 . . . . 126 D CA . 16501 1 564 . 1 1 127 127 ASP CB C 13 28.736 . . 1 . . . . 126 D CB . 16501 1 565 . 1 1 127 127 ASP N N 15 117.469 . . 1 . . . . 126 D N . 16501 1 566 . 1 1 128 128 ALA H H 1 8.162 . . 1 . . . . 127 A H . 16501 1 567 . 1 1 128 128 ALA C C 13 178.053 . . 1 . . . . 127 A C . 16501 1 568 . 1 1 128 128 ALA CA C 13 53.223 . . 1 . . . . 127 A CA . 16501 1 569 . 1 1 128 128 ALA CB C 13 19.058 . . 1 . . . . 127 A CB . 16501 1 570 . 1 1 128 128 ALA N N 15 124.357 . . 1 . . . . 127 A N . 16501 1 571 . 1 1 129 129 GLN H H 1 8.323 . . 1 . . . . 128 Q H . 16501 1 572 . 1 1 129 129 GLN C C 13 176.993 . . 1 . . . . 128 Q C . 16501 1 573 . 1 1 129 129 GLN CA C 13 56.723 . . 1 . . . . 128 Q CA . 16501 1 574 . 1 1 129 129 GLN N N 15 118.808 . . 1 . . . . 128 Q N . 16501 1 575 . 1 1 130 130 GLY H H 1 8.338 . . 1 . . . . 129 G H . 16501 1 576 . 1 1 130 130 GLY C C 13 174.525 . . 1 . . . . 129 G C . 16501 1 577 . 1 1 130 130 GLY CA C 13 45.907 . . 1 . . . . 129 G CA . 16501 1 578 . 1 1 130 130 GLY N N 15 109.280 . . 1 . . . . 129 G N . 16501 1 579 . 1 1 131 131 ALA H H 1 8.120 . . 1 . . . . 130 A H . 16501 1 580 . 1 1 131 131 ALA C C 13 178.577 . . 1 . . . . 130 A C . 16501 1 581 . 1 1 131 131 ALA CA C 13 53.323 . . 1 . . . . 130 A CA . 16501 1 582 . 1 1 131 131 ALA CB C 13 19.153 . . 1 . . . . 130 A CB . 16501 1 583 . 1 1 131 131 ALA N N 15 123.762 . . 1 . . . . 130 A N . 16501 1 584 . 1 1 132 132 MET H H 1 8.298 . . 1 . . . . 131 M H . 16501 1 585 . 1 1 132 132 MET C C 13 176.520 . . 1 . . . . 131 M C . 16501 1 586 . 1 1 132 132 MET CA C 13 56.382 . . 1 . . . . 131 M CA . 16501 1 587 . 1 1 132 132 MET CB C 13 38.535 . . 1 . . . . 131 M CB . 16501 1 588 . 1 1 132 132 MET N N 15 118.874 . . 1 . . . . 131 M N . 16501 1 589 . 1 1 133 133 ASN H H 1 8.286 . . 1 . . . . 132 N H . 16501 1 590 . 1 1 133 133 ASN C C 13 176.096 . . 1 . . . . 132 N C . 16501 1 591 . 1 1 133 133 ASN CA C 13 54.153 . . 1 . . . . 132 N CA . 16501 1 592 . 1 1 133 133 ASN CB C 13 38.270 . . 1 . . . . 132 N CB . 16501 1 593 . 1 1 133 133 ASN N N 15 119.383 . . 1 . . . . 132 N N . 16501 1 594 . 1 1 134 134 LYS H H 1 8.248 . . 1 . . . . 133 K H . 16501 1 595 . 1 1 134 134 LYS C C 13 177.356 . . 1 . . . . 133 K C . 16501 1 596 . 1 1 134 134 LYS CA C 13 57.879 . . 1 . . . . 133 K CA . 16501 1 597 . 1 1 134 134 LYS CB C 13 33.002 . . 1 . . . . 133 K CB . 16501 1 598 . 1 1 134 134 LYS N N 15 122.086 . . 1 . . . . 133 K N . 16501 1 599 . 1 1 135 135 ALA H H 1 8.143 . . 1 . . . . 134 A H . 16501 1 600 . 1 1 135 135 ALA C C 13 178.535 . . 1 . . . . 134 A C . 16501 1 601 . 1 1 135 135 ALA CA C 13 53.917 . . 1 . . . . 134 A CA . 16501 1 602 . 1 1 135 135 ALA N N 15 122.899 . . 1 . . . . 134 A N . 16501 1 603 . 1 1 136 136 LEU H H 1 7.989 . . 1 . . . . 135 L H . 16501 1 604 . 1 1 136 136 LEU C C 13 178.225 . . 1 . . . . 135 L C . 16501 1 605 . 1 1 136 136 LEU CA C 13 56.420 . . 1 . . . . 135 L CA . 16501 1 606 . 1 1 136 136 LEU N N 15 120.169 . . 1 . . . . 135 L N . 16501 1 607 . 1 1 137 137 GLU H H 1 8.067 . . 1 . . . . 136 E H . 16501 1 608 . 1 1 137 137 GLU C C 13 177.049 . . 1 . . . . 136 E C . 16501 1 609 . 1 1 137 137 GLU CA C 13 57.183 . . 1 . . . . 136 E CA . 16501 1 610 . 1 1 137 137 GLU N N 15 119.494 . . 1 . . . . 136 E N . 16501 1 611 . 1 1 138 138 LEU H H 1 7.988 . . 1 . . . . 137 L H . 16501 1 612 . 1 1 138 138 LEU C C 13 177.392 . . 1 . . . . 137 L C . 16501 1 613 . 1 1 138 138 LEU CA C 13 56.253 . . 1 . . . . 137 L CA . 16501 1 614 . 1 1 138 138 LEU N N 15 121.455 . . 1 . . . . 137 L N . 16501 1 615 . 1 1 139 139 PHE H H 1 8.074 . . 1 . . . . 138 F H . 16501 1 616 . 1 1 139 139 PHE C C 13 176.506 . . 1 . . . . 138 F C . 16501 1 617 . 1 1 139 139 PHE CA C 13 58.632 . . 1 . . . . 138 F CA . 16501 1 618 . 1 1 139 139 PHE CB C 13 39.207 . . 1 . . . . 138 F CB . 16501 1 619 . 1 1 139 139 PHE N N 15 120.006 . . 1 . . . . 138 F N . 16501 1 620 . 1 1 140 140 ARG H H 1 8.061 . . 1 . . . . 139 R H . 16501 1 621 . 1 1 140 140 ARG C C 13 176.705 . . 1 . . . . 139 R C . 16501 1 622 . 1 1 140 140 ARG CA C 13 57.018 . . 1 . . . . 139 R CA . 16501 1 623 . 1 1 140 140 ARG N N 15 120.579 . . 1 . . . . 139 R N . 16501 1 624 . 1 1 141 141 LYS H H 1 8.113 . . 1 . . . . 140 K H . 16501 1 625 . 1 1 141 141 LYS C C 13 177.070 . . 1 . . . . 140 K C . 16501 1 626 . 1 1 141 141 LYS CA C 13 57.519 . . 1 . . . . 140 K CA . 16501 1 627 . 1 1 141 141 LYS CB C 13 32.653 . . 1 . . . . 140 K CB . 16501 1 628 . 1 1 141 141 LYS N N 15 120.952 . . 1 . . . . 140 K N . 16501 1 629 . 1 1 142 142 ASP H H 1 8.383 . . 1 . . . . 141 D H . 16501 1 630 . 1 1 142 142 ASP C C 13 175.866 . . 1 . . . . 141 D C . 16501 1 631 . 1 1 142 142 ASP CA C 13 53.898 . . 1 . . . . 141 D CA . 16501 1 632 . 1 1 142 142 ASP CB C 13 38.297 . . 1 . . . . 141 D CB . 16501 1 633 . 1 1 142 142 ASP N N 15 119.547 . . 1 . . . . 141 D N . 16501 1 634 . 1 1 143 143 ILE H H 1 7.950 . . 1 . . . . 142 I H . 16501 1 635 . 1 1 143 143 ILE C C 13 176.307 . . 1 . . . . 142 I C . 16501 1 636 . 1 1 143 143 ILE CA C 13 61.849 . . 1 . . . . 142 I CA . 16501 1 637 . 1 1 143 143 ILE CB C 13 38.384 . . 1 . . . . 142 I CB . 16501 1 638 . 1 1 143 143 ILE N N 15 120.605 . . 1 . . . . 142 I N . 16501 1 639 . 1 1 144 144 ALA H H 1 8.133 . . 1 . . . . 143 A H . 16501 1 640 . 1 1 144 144 ALA C C 13 178.148 . . 1 . . . . 143 A C . 16501 1 641 . 1 1 144 144 ALA CA C 13 53.178 . . 1 . . . . 143 A CA . 16501 1 642 . 1 1 144 144 ALA CB C 13 18.970 . . 1 . . . . 143 A CB . 16501 1 643 . 1 1 144 144 ALA N N 15 126.051 . . 1 . . . . 143 A N . 16501 1 644 . 1 1 145 145 ALA H H 1 8.019 . . 1 . . . . 144 A H . 16501 1 645 . 1 1 145 145 ALA C C 13 178.411 . . 1 . . . . 144 A C . 16501 1 646 . 1 1 145 145 ALA CA C 13 53.251 . . 1 . . . . 144 A CA . 16501 1 647 . 1 1 145 145 ALA CB C 13 19.179 . . 1 . . . . 144 A CB . 16501 1 648 . 1 1 145 145 ALA N N 15 122.079 . . 1 . . . . 144 A N . 16501 1 649 . 1 1 146 146 LYS H H 1 7.981 . . 1 . . . . 145 K H . 16501 1 650 . 1 1 146 146 LYS C C 13 176.848 . . 1 . . . . 145 K C . 16501 1 651 . 1 1 146 146 LYS CA C 13 57.099 . . 1 . . . . 145 K CA . 16501 1 652 . 1 1 146 146 LYS N N 15 119.030 . . 1 . . . . 145 K N . 16501 1 653 . 1 1 147 147 TYR H H 1 7.932 . . 1 . . . . 146 Y H . 16501 1 654 . 1 1 147 147 TYR C C 13 176.131 . . 1 . . . . 146 Y C . 16501 1 655 . 1 1 147 147 TYR CA C 13 58.247 . . 1 . . . . 146 Y CA . 16501 1 656 . 1 1 147 147 TYR N N 15 119.318 . . 1 . . . . 146 Y N . 16501 1 657 . 1 1 148 148 LYS H H 1 8.007 . . 1 . . . . 147 K H . 16501 1 658 . 1 1 148 148 LYS C C 13 176.357 . . 1 . . . . 147 K C . 16501 1 659 . 1 1 148 148 LYS CA C 13 57.030 . . 1 . . . . 147 K CA . 16501 1 660 . 1 1 148 148 LYS CB C 13 33.024 . . 1 . . . . 147 K CB . 16501 1 661 . 1 1 148 148 LYS N N 15 121.756 . . 1 . . . . 147 K N . 16501 1 662 . 1 1 149 149 GLU H H 1 8.158 . . 1 . . . . 148 E H . 16501 1 663 . 1 1 149 149 GLU C C 13 176.093 . . 1 . . . . 148 E C . 16501 1 664 . 1 1 149 149 GLU CA C 13 55.974 . . 1 . . . . 148 E CA . 16501 1 665 . 1 1 149 149 GLU CB C 13 28.966 . . 1 . . . . 148 E CB . 16501 1 666 . 1 1 149 149 GLU N N 15 120.576 . . 1 . . . . 148 E N . 16501 1 667 . 1 1 150 150 LEU H H 1 8.226 . . 1 . . . . 149 L H . 16501 1 668 . 1 1 150 150 LEU C C 13 177.803 . . 1 . . . . 149 L C . 16501 1 669 . 1 1 150 150 LEU CA C 13 55.579 . . 1 . . . . 149 L CA . 16501 1 670 . 1 1 150 150 LEU N N 15 122.808 . . 1 . . . . 149 L N . 16501 1 671 . 1 1 151 151 GLY H H 1 8.279 . . 1 . . . . 150 G H . 16501 1 672 . 1 1 151 151 GLY C C 13 173.957 . . 1 . . . . 150 G C . 16501 1 673 . 1 1 151 151 GLY CA C 13 45.463 . . 1 . . . . 150 G CA . 16501 1 674 . 1 1 151 151 GLY N N 15 108.836 . . 1 . . . . 150 G N . 16501 1 675 . 1 1 152 152 TYR H H 1 8.003 . . 1 . . . . 151 Y H . 16501 1 676 . 1 1 152 152 TYR C C 13 175.724 . . 1 . . . . 151 Y C . 16501 1 677 . 1 1 152 152 TYR CA C 13 58.200 . . 1 . . . . 151 Y CA . 16501 1 678 . 1 1 152 152 TYR CB C 13 35.636 . . 1 . . . . 151 Y CB . 16501 1 679 . 1 1 152 152 TYR N N 15 120.246 . . 1 . . . . 151 Y N . 16501 1 680 . 1 1 153 153 GLN H H 1 8.291 . . 1 . . . . 152 Q H . 16501 1 681 . 1 1 153 153 GLN C C 13 175.562 . . 1 . . . . 152 Q C . 16501 1 682 . 1 1 153 153 GLN CA C 13 55.547 . . 1 . . . . 152 Q CA . 16501 1 683 . 1 1 153 153 GLN N N 15 123.154 . . 1 . . . . 152 Q N . 16501 1 684 . 1 1 154 154 GLY H H 1 7.612 . . 1 . . . . 153 G H . 16501 1 685 . 1 1 154 154 GLY CA C 13 44.550 . . 1 . . . . 153 G CA . 16501 1 686 . 1 1 154 154 GLY N N 15 110.770 . . 1 . . . . 153 G N . 16501 1 stop_ save_