################################### # 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_deoxy-Hb_A_alpha _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode deoxy-Hb_A_alpha _Assigned_chem_shift_list.Entry_ID 6683 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 'deoxy-Hb A alpha chain' _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 $deoxy-Hb_A_1 isotropic 6683 1 . . 2 $deoxy-Hb_A_2 isotropic 6683 1 . . 3 $deoxy-Hb_A_3 isotropic 6683 1 . . 4 $deoxy-Hb_A_4 isotropic 6683 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 VAL CA C 13 57.37 0.20 . 1 . . . . 1 VAL CA . 6683 1 2 . 1 1 1 1 VAL CB C 13 30.08 0.20 . 1 . . . . 1 VAL CB . 6683 1 3 . 1 1 2 2 LEU H H 1 8.22 0.03 . 1 . . . . 2 LEU H . 6683 1 4 . 1 1 2 2 LEU C C 13 176.27 0.20 . 1 . . . . 2 LEU C . 6683 1 5 . 1 1 2 2 LEU CA C 13 54.29 0.20 . 1 . . . . 2 LEU CA . 6683 1 6 . 1 1 2 2 LEU CB C 13 41.17 0.20 . 1 . . . . 2 LEU CB . 6683 1 7 . 1 1 2 2 LEU N N 15 119.94 0.30 . 1 . . . . 2 LEU N . 6683 1 8 . 1 1 3 3 SER H H 1 9.83 0.03 . 1 . . . . 3 SER H . 6683 1 9 . 1 1 3 3 SER CA C 13 56.86 0.20 . 1 . . . . 3 SER CA . 6683 1 10 . 1 1 3 3 SER CB C 13 63.15 0.20 . 1 . . . . 3 SER CB . 6683 1 11 . 1 1 3 3 SER N N 15 125.78 0.30 . 1 . . . . 3 SER N . 6683 1 12 . 1 1 4 4 PRO C C 13 179.77 0.20 . 1 . . . . 4 PRO C . 6683 1 13 . 1 1 4 4 PRO CA C 13 66.51 0.20 . 1 . . . . 4 PRO CA . 6683 1 14 . 1 1 4 4 PRO CB C 13 31.12 0.20 . 1 . . . . 4 PRO CB . 6683 1 15 . 1 1 5 5 ALA H H 1 7.88 0.03 . 1 . . . . 5 ALA H . 6683 1 16 . 1 1 5 5 ALA C C 13 180.16 0.20 . 1 . . . . 5 ALA C . 6683 1 17 . 1 1 5 5 ALA CA C 13 54.78 0.20 . 1 . . . . 5 ALA CA . 6683 1 18 . 1 1 5 5 ALA CB C 13 17.77 0.20 . 1 . . . . 5 ALA CB . 6683 1 19 . 1 1 5 5 ALA N N 15 121.10 0.30 . 1 . . . . 5 ALA N . 6683 1 20 . 1 1 6 6 ASP H H 1 8.08 0.03 . 1 . . . . 6 ASP H . 6683 1 21 . 1 1 6 6 ASP C C 13 179.23 0.20 . 1 . . . . 6 ASP C . 6683 1 22 . 1 1 6 6 ASP CA C 13 57.44 0.20 . 1 . . . . 6 ASP CA . 6683 1 23 . 1 1 6 6 ASP CB C 13 41.56 0.20 . 1 . . . . 6 ASP CB . 6683 1 24 . 1 1 6 6 ASP N N 15 119.59 0.30 . 1 . . . . 6 ASP N . 6683 1 25 . 1 1 7 7 LYS H H 1 8.15 0.03 . 1 . . . . 7 LYS H . 6683 1 26 . 1 1 7 7 LYS C C 13 178.73 0.20 . 1 . . . . 7 LYS C . 6683 1 27 . 1 1 7 7 LYS CA C 13 61.01 0.20 . 1 . . . . 7 LYS CA . 6683 1 28 . 1 1 7 7 LYS CB C 13 31.45 0.20 . 1 . . . . 7 LYS CB . 6683 1 29 . 1 1 7 7 LYS N N 15 119.84 0.30 . 1 . . . . 7 LYS N . 6683 1 30 . 1 1 8 8 THR H H 1 8.06 0.03 . 1 . . . . 8 THR H . 6683 1 31 . 1 1 8 8 THR C C 13 177.14 0.20 . 1 . . . . 8 THR C . 6683 1 32 . 1 1 8 8 THR CA C 13 66.66 0.20 . 1 . . . . 8 THR CA . 6683 1 33 . 1 1 8 8 THR CB C 13 68.38 0.20 . 1 . . . . 8 THR CB . 6683 1 34 . 1 1 8 8 THR N N 15 117.47 0.30 . 1 . . . . 8 THR N . 6683 1 35 . 1 1 9 9 ASN H H 1 8.34 0.03 . 1 . . . . 9 ASN H . 6683 1 36 . 1 1 9 9 ASN C C 13 177.86 0.20 . 1 . . . . 9 ASN C . 6683 1 37 . 1 1 9 9 ASN CA C 13 55.49 0.20 . 1 . . . . 9 ASN CA . 6683 1 38 . 1 1 9 9 ASN CB C 13 37.89 0.20 . 1 . . . . 9 ASN CB . 6683 1 39 . 1 1 9 9 ASN N N 15 122.50 0.30 . 1 . . . . 9 ASN N . 6683 1 40 . 1 1 10 10 VAL H H 1 8.43 0.03 . 1 . . . . 10 VAL H . 6683 1 41 . 1 1 10 10 VAL C C 13 177.59 0.20 . 1 . . . . 10 VAL C . 6683 1 42 . 1 1 10 10 VAL CA C 13 66.77 0.20 . 1 . . . . 10 VAL CA . 6683 1 43 . 1 1 10 10 VAL CB C 13 30.77 0.20 . 1 . . . . 10 VAL CB . 6683 1 44 . 1 1 10 10 VAL N N 15 120.83 0.30 . 1 . . . . 10 VAL N . 6683 1 45 . 1 1 11 11 LYS H H 1 7.98 0.03 . 1 . . . . 11 LYS H . 6683 1 46 . 1 1 11 11 LYS C C 13 180.43 0.20 . 1 . . . . 11 LYS C . 6683 1 47 . 1 1 11 11 LYS CA C 13 60.18 0.20 . 1 . . . . 11 LYS CA . 6683 1 48 . 1 1 11 11 LYS CB C 13 31.83 0.20 . 1 . . . . 11 LYS CB . 6683 1 49 . 1 1 11 11 LYS N N 15 119.62 0.30 . 1 . . . . 11 LYS N . 6683 1 50 . 1 1 12 12 ALA H H 1 8.15 0.03 . 1 . . . . 12 ALA H . 6683 1 51 . 1 1 12 12 ALA C C 13 181.09 0.20 . 1 . . . . 12 ALA C . 6683 1 52 . 1 1 12 12 ALA CA C 13 54.72 0.20 . 1 . . . . 12 ALA CA . 6683 1 53 . 1 1 12 12 ALA CB C 13 17.53 0.20 . 1 . . . . 12 ALA CB . 6683 1 54 . 1 1 12 12 ALA N N 15 123.09 0.30 . 1 . . . . 12 ALA N . 6683 1 55 . 1 1 13 13 ALA H H 1 8.02 0.03 . 1 . . . . 13 ALA H . 6683 1 56 . 1 1 13 13 ALA C C 13 179.48 0.20 . 1 . . . . 13 ALA C . 6683 1 57 . 1 1 13 13 ALA CA C 13 55.27 0.20 . 1 . . . . 13 ALA CA . 6683 1 58 . 1 1 13 13 ALA CB C 13 17.56 0.20 . 1 . . . . 13 ALA CB . 6683 1 59 . 1 1 13 13 ALA N N 15 121.69 0.30 . 1 . . . . 13 ALA N . 6683 1 60 . 1 1 14 14 TRP H H 1 8.92 0.03 . 1 . . . . 14 TRP H . 6683 1 61 . 1 1 14 14 TRP HE1 H 1 10.07 0.03 . 1 . . . . 14 TRP HE1 . 6683 1 62 . 1 1 14 14 TRP C C 13 179.94 0.20 . 1 . . . . 14 TRP C . 6683 1 63 . 1 1 14 14 TRP CA C 13 59.73 0.20 . 1 . . . . 14 TRP CA . 6683 1 64 . 1 1 14 14 TRP CB C 13 28.78 0.20 . 1 . . . . 14 TRP CB . 6683 1 65 . 1 1 14 14 TRP N N 15 118.56 0.30 . 1 . . . . 14 TRP N . 6683 1 66 . 1 1 14 14 TRP NE1 N 15 131.03 0.30 . 1 . . . . 14 TRP NE1 . 6683 1 67 . 1 1 15 15 GLY H H 1 7.96 0.03 . 1 . . . . 15 GLY H . 6683 1 68 . 1 1 15 15 GLY C C 13 176.24 0.20 . 1 . . . . 15 GLY C . 6683 1 69 . 1 1 15 15 GLY CA C 13 46.47 0.20 . 1 . . . . 15 GLY CA . 6683 1 70 . 1 1 15 15 GLY N N 15 107.31 0.30 . 1 . . . . 15 GLY N . 6683 1 71 . 1 1 16 16 LYS H H 1 7.13 0.03 . 1 . . . . 16 LYS H . 6683 1 72 . 1 1 16 16 LYS C C 13 178.77 0.20 . 1 . . . . 16 LYS C . 6683 1 73 . 1 1 16 16 LYS CA C 13 56.23 0.20 . 1 . . . . 16 LYS CA . 6683 1 74 . 1 1 16 16 LYS CB C 13 31.08 0.20 . 1 . . . . 16 LYS CB . 6683 1 75 . 1 1 16 16 LYS N N 15 120.99 0.30 . 1 . . . . 16 LYS N . 6683 1 76 . 1 1 17 17 VAL H H 1 7.29 0.03 . 1 . . . . 17 VAL H . 6683 1 77 . 1 1 17 17 VAL C C 13 177.65 0.20 . 1 . . . . 17 VAL C . 6683 1 78 . 1 1 17 17 VAL CA C 13 66.02 0.20 . 1 . . . . 17 VAL CA . 6683 1 79 . 1 1 17 17 VAL CB C 13 29.88 0.20 . 1 . . . . 17 VAL CB . 6683 1 80 . 1 1 17 17 VAL N N 15 122.61 0.30 . 1 . . . . 17 VAL N . 6683 1 81 . 1 1 18 18 GLY H H 1 7.04 0.03 . 1 . . . . 18 GLY H . 6683 1 82 . 1 1 18 18 GLY CA C 13 46.85 0.20 . 1 . . . . 18 GLY CA . 6683 1 83 . 1 1 18 18 GLY N N 15 104.00 0.30 . 1 . . . . 18 GLY N . 6683 1 84 . 1 1 19 19 ALA C C 13 178.30 0.20 . 1 . . . . 19 ALA C . 6683 1 85 . 1 1 19 19 ALA CA C 13 52.91 0.20 . 1 . . . . 19 ALA CA . 6683 1 86 . 1 1 19 19 ALA CB C 13 17.31 0.20 . 1 . . . . 19 ALA CB . 6683 1 87 . 1 1 20 20 HIS H H 1 7.68 0.03 . 1 . . . . 20 HIS H . 6683 1 88 . 1 1 20 20 HIS C C 13 173.92 0.20 . 1 . . . . 20 HIS C . 6683 1 89 . 1 1 20 20 HIS CA C 13 55.27 0.20 . 1 . . . . 20 HIS CA . 6683 1 90 . 1 1 20 20 HIS CB C 13 28.02 0.20 . 1 . . . . 20 HIS CB . 6683 1 91 . 1 1 20 20 HIS N N 15 116.51 0.30 . 1 . . . . 20 HIS N . 6683 1 92 . 1 1 21 21 ALA H H 1 6.72 0.03 . 1 . . . . 21 ALA H . 6683 1 93 . 1 1 21 21 ALA C C 13 178.05 0.20 . 1 . . . . 21 ALA C . 6683 1 94 . 1 1 21 21 ALA CA C 13 55.95 0.20 . 1 . . . . 21 ALA CA . 6683 1 95 . 1 1 21 21 ALA CB C 13 17.31 0.20 . 1 . . . . 21 ALA CB . 6683 1 96 . 1 1 21 21 ALA N N 15 122.96 0.30 . 1 . . . . 21 ALA N . 6683 1 97 . 1 1 22 22 GLY H H 1 8.16 0.03 . 1 . . . . 22 GLY H . 6683 1 98 . 1 1 22 22 GLY C C 13 176.56 0.20 . 1 . . . . 22 GLY C . 6683 1 99 . 1 1 22 22 GLY CA C 13 47.07 0.20 . 1 . . . . 22 GLY CA . 6683 1 100 . 1 1 22 22 GLY N N 15 105.45 0.30 . 1 . . . . 22 GLY N . 6683 1 101 . 1 1 23 23 GLU H H 1 7.55 0.03 . 1 . . . . 23 GLU H . 6683 1 102 . 1 1 23 23 GLU C C 13 179.76 0.20 . 1 . . . . 23 GLU C . 6683 1 103 . 1 1 23 23 GLU CA C 13 58.68 0.20 . 1 . . . . 23 GLU CA . 6683 1 104 . 1 1 23 23 GLU CB C 13 28.19 0.20 . 1 . . . . 23 GLU CB . 6683 1 105 . 1 1 23 23 GLU N N 15 125.76 0.30 . 1 . . . . 23 GLU N . 6683 1 106 . 1 1 24 24 TYR H H 1 7.83 0.03 . 1 . . . . 24 TYR H . 6683 1 107 . 1 1 24 24 TYR C C 13 178.41 0.20 . 1 . . . . 24 TYR C . 6683 1 108 . 1 1 24 24 TYR CA C 13 56.89 0.20 . 1 . . . . 24 TYR CA . 6683 1 109 . 1 1 24 24 TYR CB C 13 33.75 0.20 . 1 . . . . 24 TYR CB . 6683 1 110 . 1 1 24 24 TYR N N 15 122.15 0.30 . 1 . . . . 24 TYR N . 6683 1 111 . 1 1 25 25 GLY H H 1 8.22 0.03 . 1 . . . . 25 GLY H . 6683 1 112 . 1 1 25 25 GLY C C 13 174.00 0.20 . 1 . . . . 25 GLY C . 6683 1 113 . 1 1 25 25 GLY CA C 13 45.77 0.20 . 1 . . . . 25 GLY CA . 6683 1 114 . 1 1 25 25 GLY N N 15 108.67 0.30 . 1 . . . . 25 GLY N . 6683 1 115 . 1 1 26 26 ALA H H 1 7.19 0.03 . 1 . . . . 26 ALA H . 6683 1 116 . 1 1 26 26 ALA C C 13 178.58 0.20 . 1 . . . . 26 ALA C . 6683 1 117 . 1 1 26 26 ALA CA C 13 54.36 0.20 . 1 . . . . 26 ALA CA . 6683 1 118 . 1 1 26 26 ALA CB C 13 17.87 0.20 . 1 . . . . 26 ALA CB . 6683 1 119 . 1 1 26 26 ALA N N 15 122.15 0.30 . 1 . . . . 26 ALA N . 6683 1 120 . 1 1 27 27 GLU H H 1 7.54 0.03 . 1 . . . . 27 GLU H . 6683 1 121 . 1 1 27 27 GLU C C 13 178.16 0.20 . 1 . . . . 27 GLU C . 6683 1 122 . 1 1 27 27 GLU CA C 13 58.74 0.20 . 1 . . . . 27 GLU CA . 6683 1 123 . 1 1 27 27 GLU CB C 13 28.54 0.20 . 1 . . . . 27 GLU CB . 6683 1 124 . 1 1 27 27 GLU N N 15 120.80 0.30 . 1 . . . . 27 GLU N . 6683 1 125 . 1 1 28 28 ALA H H 1 7.96 0.03 . 1 . . . . 28 ALA H . 6683 1 126 . 1 1 28 28 ALA C C 13 179.36 0.20 . 1 . . . . 28 ALA C . 6683 1 127 . 1 1 28 28 ALA CA C 13 55.28 0.20 . 1 . . . . 28 ALA CA . 6683 1 128 . 1 1 28 28 ALA CB C 13 16.65 0.20 . 1 . . . . 28 ALA CB . 6683 1 129 . 1 1 28 28 ALA N N 15 122.74 0.30 . 1 . . . . 28 ALA N . 6683 1 130 . 1 1 29 29 LEU H H 1 6.62 0.03 . 1 . . . . 29 LEU H . 6683 1 131 . 1 1 29 29 LEU C C 13 176.54 0.20 . 1 . . . . 29 LEU C . 6683 1 132 . 1 1 29 29 LEU CA C 13 56.85 0.20 . 1 . . . . 29 LEU CA . 6683 1 133 . 1 1 29 29 LEU CB C 13 39.57 0.20 . 1 . . . . 29 LEU CB . 6683 1 134 . 1 1 29 29 LEU N N 15 117.09 0.30 . 1 . . . . 29 LEU N . 6683 1 135 . 1 1 30 30 GLU H H 1 7.56 0.03 . 1 . . . . 30 GLU H . 6683 1 136 . 1 1 30 30 GLU C C 13 179.95 0.20 . 1 . . . . 30 GLU C . 6683 1 137 . 1 1 30 30 GLU CA C 13 60.20 0.20 . 1 . . . . 30 GLU CA . 6683 1 138 . 1 1 30 30 GLU CB C 13 28.70 0.20 . 1 . . . . 30 GLU CB . 6683 1 139 . 1 1 30 30 GLU N N 15 119.61 0.30 . 1 . . . . 30 GLU N . 6683 1 140 . 1 1 31 31 ARG H H 1 8.52 0.03 . 1 . . . . 31 ARG H . 6683 1 141 . 1 1 31 31 ARG C C 13 178.77 0.20 . 1 . . . . 31 ARG C . 6683 1 142 . 1 1 31 31 ARG CA C 13 60.93 0.20 . 1 . . . . 31 ARG CA . 6683 1 143 . 1 1 31 31 ARG CB C 13 27.13 0.20 . 1 . . . . 31 ARG CB . 6683 1 144 . 1 1 31 31 ARG N N 15 117.18 0.30 . 1 . . . . 31 ARG N . 6683 1 145 . 1 1 32 32 MET H H 1 8.04 0.03 . 1 . . . . 32 MET H . 6683 1 146 . 1 1 32 32 MET C C 13 177.88 0.20 . 1 . . . . 32 MET C . 6683 1 147 . 1 1 32 32 MET CA C 13 60.58 0.20 . 1 . . . . 32 MET CA . 6683 1 148 . 1 1 32 32 MET CB C 13 32.01 0.20 . 1 . . . . 32 MET CB . 6683 1 149 . 1 1 32 32 MET N N 15 124.59 0.30 . 1 . . . . 32 MET N . 6683 1 150 . 1 1 33 33 PHE H H 1 8.66 0.03 . 1 . . . . 33 PHE H . 6683 1 151 . 1 1 33 33 PHE C C 13 178.91 0.20 . 1 . . . . 33 PHE C . 6683 1 152 . 1 1 33 33 PHE CA C 13 58.81 0.20 . 1 . . . . 33 PHE CA . 6683 1 153 . 1 1 33 33 PHE CB C 13 37.72 0.20 . 1 . . . . 33 PHE CB . 6683 1 154 . 1 1 33 33 PHE N N 15 120.15 0.30 . 1 . . . . 33 PHE N . 6683 1 155 . 1 1 34 34 LEU H H 1 7.70 0.03 . 1 . . . . 34 LEU H . 6683 1 156 . 1 1 34 34 LEU C C 13 179.50 0.20 . 1 . . . . 34 LEU C . 6683 1 157 . 1 1 34 34 LEU CA C 13 56.68 0.20 . 1 . . . . 34 LEU CA . 6683 1 158 . 1 1 34 34 LEU CB C 13 42.35 0.20 . 1 . . . . 34 LEU CB . 6683 1 159 . 1 1 34 34 LEU N N 15 115.15 0.30 . 1 . . . . 34 LEU N . 6683 1 160 . 1 1 35 35 SER H H 1 8.15 0.03 . 1 . . . . 35 SER H . 6683 1 161 . 1 1 35 35 SER C C 13 173.76 0.20 . 1 . . . . 35 SER C . 6683 1 162 . 1 1 35 35 SER CA C 13 63.11 0.20 . 1 . . . . 35 SER CA . 6683 1 163 . 1 1 35 35 SER CB C 13 64.01 0.20 . 1 . . . . 35 SER CB . 6683 1 164 . 1 1 35 35 SER N N 15 114.91 0.30 . 1 . . . . 35 SER N . 6683 1 165 . 1 1 36 36 PHE H H 1 8.64 0.03 . 1 . . . . 36 PHE H . 6683 1 166 . 1 1 36 36 PHE CA C 13 55.02 0.20 . 1 . . . . 36 PHE CA . 6683 1 167 . 1 1 36 36 PHE CB C 13 39.15 0.20 . 1 . . . . 36 PHE CB . 6683 1 168 . 1 1 36 36 PHE N N 15 119.08 0.30 . 1 . . . . 36 PHE N . 6683 1 169 . 1 1 37 37 PRO C C 13 180.97 0.20 . 1 . . . . 37 PRO C . 6683 1 170 . 1 1 37 37 PRO CA C 13 65.15 0.20 . 1 . . . . 37 PRO CA . 6683 1 171 . 1 1 37 37 PRO CB C 13 31.80 0.20 . 1 . . . . 37 PRO CB . 6683 1 172 . 1 1 38 38 THR H H 1 8.63 0.03 . 1 . . . . 38 THR H . 6683 1 173 . 1 1 38 38 THR C C 13 178.25 0.20 . 1 . . . . 38 THR C . 6683 1 174 . 1 1 38 38 THR CA C 13 66.81 0.20 . 1 . . . . 38 THR CA . 6683 1 175 . 1 1 38 38 THR N N 15 113.35 0.30 . 1 . . . . 38 THR N . 6683 1 176 . 1 1 39 39 THR H H 1 9.16 0.03 . 1 . . . . 39 THR H . 6683 1 177 . 1 1 39 39 THR C C 13 178.09 0.20 . 1 . . . . 39 THR C . 6683 1 178 . 1 1 39 39 THR CA C 13 66.92 0.20 . 1 . . . . 39 THR CA . 6683 1 179 . 1 1 39 39 THR CB C 13 71.40 0.20 . 1 . . . . 39 THR CB . 6683 1 180 . 1 1 39 39 THR N N 15 118.50 0.30 . 1 . . . . 39 THR N . 6683 1 181 . 1 1 40 40 LYS H H 1 8.10 0.03 . 1 . . . . 40 LYS H . 6683 1 182 . 1 1 40 40 LYS C C 13 180.75 0.20 . 1 . . . . 40 LYS C . 6683 1 183 . 1 1 40 40 LYS CA C 13 59.74 0.20 . 1 . . . . 40 LYS CA . 6683 1 184 . 1 1 40 40 LYS CB C 13 31.36 0.20 . 1 . . . . 40 LYS CB . 6683 1 185 . 1 1 40 40 LYS N N 15 120.26 0.30 . 1 . . . . 40 LYS N . 6683 1 186 . 1 1 41 41 THR H H 1 7.96 0.03 . 1 . . . . 41 THR H . 6683 1 187 . 1 1 41 41 THR C C 13 175.42 0.20 . 1 . . . . 41 THR C . 6683 1 188 . 1 1 41 41 THR CA C 13 64.67 0.20 . 1 . . . . 41 THR CA . 6683 1 189 . 1 1 41 41 THR CB C 13 69.02 0.20 . 1 . . . . 41 THR CB . 6683 1 190 . 1 1 41 41 THR N N 15 110.38 0.30 . 1 . . . . 41 THR N . 6683 1 191 . 1 1 42 42 TYR H H 1 7.39 0.03 . 1 . . . . 42 TYR H . 6683 1 192 . 1 1 42 42 TYR C C 13 174.42 0.20 . 1 . . . . 42 TYR C . 6683 1 193 . 1 1 42 42 TYR CA C 13 60.27 0.20 . 1 . . . . 42 TYR CA . 6683 1 194 . 1 1 42 42 TYR CB C 13 38.65 0.20 . 1 . . . . 42 TYR CB . 6683 1 195 . 1 1 42 42 TYR N N 15 116.96 0.30 . 1 . . . . 42 TYR N . 6683 1 196 . 1 1 43 43 PHE H H 1 7.99 0.03 . 1 . . . . 43 PHE H . 6683 1 197 . 1 1 43 43 PHE CA C 13 55.34 0.20 . 1 . . . . 43 PHE CA . 6683 1 198 . 1 1 43 43 PHE CB C 13 40.39 0.20 . 1 . . . . 43 PHE CB . 6683 1 199 . 1 1 43 43 PHE N N 15 118.69 0.30 . 1 . . . . 43 PHE N . 6683 1 200 . 1 1 44 44 PRO C C 13 176.73 0.20 . 1 . . . . 44 PRO C . 6683 1 201 . 1 1 44 44 PRO CA C 13 65.35 0.20 . 1 . . . . 44 PRO CA . 6683 1 202 . 1 1 44 44 PRO CB C 13 29.01 0.20 . 1 . . . . 44 PRO CB . 6683 1 203 . 1 1 45 45 HIS H H 1 9.72 0.03 . 1 . . . . 45 HIS H . 6683 1 204 . 1 1 45 45 HIS C C 13 175.77 0.20 . 1 . . . . 45 HIS C . 6683 1 205 . 1 1 45 45 HIS CA C 13 55.51 0.20 . 1 . . . . 45 HIS CA . 6683 1 206 . 1 1 45 45 HIS CB C 13 29.51 0.20 . 1 . . . . 45 HIS CB . 6683 1 207 . 1 1 45 45 HIS N N 15 118.87 0.30 . 1 . . . . 45 HIS N . 6683 1 208 . 1 1 46 46 PHE H H 1 7.61 0.03 . 1 . . . . 46 PHE H . 6683 1 209 . 1 1 46 46 PHE C C 13 176.27 0.20 . 1 . . . . 46 PHE C . 6683 1 210 . 1 1 46 46 PHE CA C 13 55.05 0.20 . 1 . . . . 46 PHE CA . 6683 1 211 . 1 1 46 46 PHE CB C 13 39.22 0.20 . 1 . . . . 46 PHE CB . 6683 1 212 . 1 1 46 46 PHE N N 15 124.39 0.30 . 1 . . . . 46 PHE N . 6683 1 213 . 1 1 47 47 ASP H H 1 7.73 0.03 . 1 . . . . 47 ASP H . 6683 1 214 . 1 1 47 47 ASP C C 13 176.91 0.20 . 1 . . . . 47 ASP C . 6683 1 215 . 1 1 47 47 ASP CA C 13 53.66 0.20 . 1 . . . . 47 ASP CA . 6683 1 216 . 1 1 47 47 ASP CB C 13 39.81 0.20 . 1 . . . . 47 ASP CB . 6683 1 217 . 1 1 47 47 ASP N N 15 120.17 0.30 . 1 . . . . 47 ASP N . 6683 1 218 . 1 1 48 48 LEU H H 1 8.68 0.03 . 1 . . . . 48 LEU H . 6683 1 219 . 1 1 48 48 LEU CA C 13 53.65 0.20 . 1 . . . . 48 LEU CA . 6683 1 220 . 1 1 48 48 LEU CB C 13 39.82 0.20 . 1 . . . . 48 LEU CB . 6683 1 221 . 1 1 48 48 LEU N N 15 129.90 0.30 . 1 . . . . 48 LEU N . 6683 1 222 . 1 1 49 49 SER H H 1 8.27 0.03 . 1 . . . . 49 SER H . 6683 1 223 . 1 1 49 49 SER C C 13 177.52 0.20 . 1 . . . . 49 SER C . 6683 1 224 . 1 1 49 49 SER CA C 13 59.24 0.20 . 1 . . . . 49 SER CA . 6683 1 225 . 1 1 49 49 SER CB C 13 63.96 0.20 . 1 . . . . 49 SER CB . 6683 1 226 . 1 1 49 49 SER N N 15 118.77 0.30 . 1 . . . . 49 SER N . 6683 1 227 . 1 1 50 50 HIS C C 13 177.34 0.20 . 1 . . . . 50 HIS C . 6683 1 228 . 1 1 50 50 HIS CA C 13 60.11 0.20 . 1 . . . . 50 HIS CA . 6683 1 229 . 1 1 50 50 HIS CB C 13 28.07 0.20 . 1 . . . . 50 HIS CB . 6683 1 230 . 1 1 51 51 GLY H H 1 8.89 0.03 . 1 . . . . 51 GLY H . 6683 1 231 . 1 1 51 51 GLY C C 13 174.39 0.20 . 1 . . . . 51 GLY C . 6683 1 232 . 1 1 51 51 GLY CA C 13 44.79 0.20 . 1 . . . . 51 GLY CA . 6683 1 233 . 1 1 51 51 GLY N N 15 117.12 0.30 . 1 . . . . 51 GLY N . 6683 1 234 . 1 1 52 52 SER H H 1 7.43 0.03 . 1 . . . . 52 SER H . 6683 1 235 . 1 1 52 52 SER C C 13 176.63 0.20 . 1 . . . . 52 SER C . 6683 1 236 . 1 1 52 52 SER CA C 13 57.11 0.20 . 1 . . . . 52 SER CA . 6683 1 237 . 1 1 52 52 SER CB C 13 64.62 0.20 . 1 . . . . 52 SER CB . 6683 1 238 . 1 1 52 52 SER N N 15 116.27 0.30 . 1 . . . . 52 SER N . 6683 1 239 . 1 1 53 53 ALA H H 1 9.08 0.03 . 1 . . . . 53 ALA H . 6683 1 240 . 1 1 53 53 ALA C C 13 181.57 0.20 . 1 . . . . 53 ALA C . 6683 1 241 . 1 1 53 53 ALA CA C 13 54.88 0.20 . 1 . . . . 53 ALA CA . 6683 1 242 . 1 1 53 53 ALA CB C 13 17.79 0.20 . 1 . . . . 53 ALA CB . 6683 1 243 . 1 1 53 53 ALA N N 15 132.14 0.30 . 1 . . . . 53 ALA N . 6683 1 244 . 1 1 54 54 GLN H H 1 8.25 0.03 . 1 . . . . 54 GLN H . 6683 1 245 . 1 1 54 54 GLN C C 13 179.44 0.20 . 1 . . . . 54 GLN C . 6683 1 246 . 1 1 54 54 GLN CA C 13 58.77 0.20 . 1 . . . . 54 GLN CA . 6683 1 247 . 1 1 54 54 GLN CB C 13 28.36 0.20 . 1 . . . . 54 GLN CB . 6683 1 248 . 1 1 54 54 GLN N N 15 120.33 0.30 . 1 . . . . 54 GLN N . 6683 1 249 . 1 1 55 55 VAL H H 1 7.41 0.03 . 1 . . . . 55 VAL H . 6683 1 250 . 1 1 55 55 VAL C C 13 177.87 0.20 . 1 . . . . 55 VAL C . 6683 1 251 . 1 1 55 55 VAL CA C 13 67.17 0.20 . 1 . . . . 55 VAL CA . 6683 1 252 . 1 1 55 55 VAL CB C 13 31.11 0.20 . 1 . . . . 55 VAL CB . 6683 1 253 . 1 1 55 55 VAL N N 15 122.98 0.30 . 1 . . . . 55 VAL N . 6683 1 254 . 1 1 56 56 LYS H H 1 7.81 0.03 . 1 . . . . 56 LYS H . 6683 1 255 . 1 1 56 56 LYS C C 13 180.50 0.20 . 1 . . . . 56 LYS C . 6683 1 256 . 1 1 56 56 LYS CA C 13 59.60 0.20 . 1 . . . . 56 LYS CA . 6683 1 257 . 1 1 56 56 LYS CB C 13 31.34 0.20 . 1 . . . . 56 LYS CB . 6683 1 258 . 1 1 56 56 LYS N N 15 120.95 0.30 . 1 . . . . 56 LYS N . 6683 1 259 . 1 1 57 57 GLY H H 1 8.22 0.03 . 1 . . . . 57 GLY H . 6683 1 260 . 1 1 57 57 GLY C C 13 176.81 0.20 . 1 . . . . 57 GLY C . 6683 1 261 . 1 1 57 57 GLY CA C 13 46.66 0.20 . 1 . . . . 57 GLY CA . 6683 1 262 . 1 1 57 57 GLY N N 15 107.86 0.30 . 1 . . . . 57 GLY N . 6683 1 263 . 1 1 58 58 HIS H H 1 8.08 0.03 . 1 . . . . 58 HIS H . 6683 1 264 . 1 1 58 58 HIS C C 13 176.41 0.20 . 1 . . . . 58 HIS C . 6683 1 265 . 1 1 58 58 HIS CA C 13 59.36 0.20 . 1 . . . . 58 HIS CA . 6683 1 266 . 1 1 58 58 HIS CB C 13 31.12 0.20 . 1 . . . . 58 HIS CB . 6683 1 267 . 1 1 58 58 HIS N N 15 124.83 0.30 . 1 . . . . 58 HIS N . 6683 1 268 . 1 1 59 59 GLY H H 1 8.13 0.03 . 1 . . . . 59 GLY H . 6683 1 269 . 1 1 59 59 GLY C C 13 174.24 0.20 . 1 . . . . 59 GLY C . 6683 1 270 . 1 1 59 59 GLY CA C 13 45.75 0.20 . 1 . . . . 59 GLY CA . 6683 1 271 . 1 1 59 59 GLY N N 15 106.87 0.30 . 1 . . . . 59 GLY N . 6683 1 272 . 1 1 60 60 LYS H H 1 6.82 0.03 . 1 . . . . 60 LYS H . 6683 1 273 . 1 1 60 60 LYS CA C 13 58.99 0.20 . 1 . . . . 60 LYS CA . 6683 1 274 . 1 1 60 60 LYS CB C 13 31.25 0.20 . 1 . . . . 60 LYS CB . 6683 1 275 . 1 1 60 60 LYS N N 15 120.73 0.30 . 1 . . . . 60 LYS N . 6683 1 276 . 1 1 66 66 LEU C C 13 178.41 0.20 . 1 . . . . 66 LEU C . 6683 1 277 . 1 1 66 66 LEU CA C 13 57.20 0.20 . 1 . . . . 66 LEU CA . 6683 1 278 . 1 1 66 66 LEU CB C 13 39.79 0.20 . 1 . . . . 66 LEU CB . 6683 1 279 . 1 1 67 67 THR H H 1 8.58 0.03 . 1 . . . . 67 THR H . 6683 1 280 . 1 1 67 67 THR C C 13 177.05 0.20 . 1 . . . . 67 THR C . 6683 1 281 . 1 1 67 67 THR CA C 13 66.60 0.20 . 1 . . . . 67 THR CA . 6683 1 282 . 1 1 67 67 THR CB C 13 68.02 0.20 . 1 . . . . 67 THR CB . 6683 1 283 . 1 1 67 67 THR N N 15 119.14 0.30 . 1 . . . . 67 THR N . 6683 1 284 . 1 1 68 68 ASN H H 1 7.80 0.03 . 1 . . . . 68 ASN H . 6683 1 285 . 1 1 68 68 ASN C C 13 177.55 0.20 . 1 . . . . 68 ASN C . 6683 1 286 . 1 1 68 68 ASN CA C 13 56.56 0.20 . 1 . . . . 68 ASN CA . 6683 1 287 . 1 1 68 68 ASN CB C 13 38.43 0.20 . 1 . . . . 68 ASN CB . 6683 1 288 . 1 1 68 68 ASN N N 15 122.16 0.30 . 1 . . . . 68 ASN N . 6683 1 289 . 1 1 69 69 ALA H H 1 8.18 0.03 . 1 . . . . 69 ALA H . 6683 1 290 . 1 1 69 69 ALA C C 13 178.30 0.20 . 1 . . . . 69 ALA C . 6683 1 291 . 1 1 69 69 ALA CA C 13 55.75 0.20 . 1 . . . . 69 ALA CA . 6683 1 292 . 1 1 69 69 ALA CB C 13 17.33 0.20 . 1 . . . . 69 ALA CB . 6683 1 293 . 1 1 69 69 ALA N N 15 124.30 0.30 . 1 . . . . 69 ALA N . 6683 1 294 . 1 1 70 70 VAL H H 1 8.01 0.03 . 1 . . . . 70 VAL H . 6683 1 295 . 1 1 70 70 VAL C C 13 178.97 0.20 . 1 . . . . 70 VAL C . 6683 1 296 . 1 1 70 70 VAL CA C 13 66.61 0.20 . 1 . . . . 70 VAL CA . 6683 1 297 . 1 1 70 70 VAL CB C 13 31.12 0.20 . 1 . . . . 70 VAL CB . 6683 1 298 . 1 1 70 70 VAL N N 15 117.77 0.30 . 1 . . . . 70 VAL N . 6683 1 299 . 1 1 71 71 ALA H H 1 7.70 0.03 . 1 . . . . 71 ALA H . 6683 1 300 . 1 1 71 71 ALA C C 13 178.94 0.20 . 1 . . . . 71 ALA C . 6683 1 301 . 1 1 71 71 ALA CA C 13 53.96 0.20 . 1 . . . . 71 ALA CA . 6683 1 302 . 1 1 71 71 ALA CB C 13 17.51 0.20 . 1 . . . . 71 ALA CB . 6683 1 303 . 1 1 71 71 ALA N N 15 121.38 0.30 . 1 . . . . 71 ALA N . 6683 1 304 . 1 1 72 72 HIS H H 1 7.56 0.03 . 1 . . . . 72 HIS H . 6683 1 305 . 1 1 72 72 HIS C C 13 176.88 0.20 . 1 . . . . 72 HIS C . 6683 1 306 . 1 1 72 72 HIS CA C 13 54.86 0.20 . 1 . . . . 72 HIS CA . 6683 1 307 . 1 1 72 72 HIS CB C 13 28.23 0.20 . 1 . . . . 72 HIS CB . 6683 1 308 . 1 1 72 72 HIS N N 15 117.02 0.30 . 1 . . . . 72 HIS N . 6683 1 309 . 1 1 73 73 VAL H H 1 6.60 0.03 . 1 . . . . 73 VAL H . 6683 1 310 . 1 1 73 73 VAL C C 13 176.48 0.20 . 1 . . . . 73 VAL C . 6683 1 311 . 1 1 73 73 VAL CA C 13 65.06 0.20 . 1 . . . . 73 VAL CA . 6683 1 312 . 1 1 73 73 VAL CB C 13 31.34 0.20 . 1 . . . . 73 VAL CB . 6683 1 313 . 1 1 73 73 VAL N N 15 121.27 0.30 . 1 . . . . 73 VAL N . 6683 1 314 . 1 1 74 74 ASP H H 1 8.19 0.03 . 1 . . . . 74 ASP H . 6683 1 315 . 1 1 74 74 ASP C C 13 176.24 0.20 . 1 . . . . 74 ASP C . 6683 1 316 . 1 1 74 74 ASP CA C 13 55.32 0.20 . 1 . . . . 74 ASP CA . 6683 1 317 . 1 1 74 74 ASP CB C 13 40.86 0.20 . 1 . . . . 74 ASP CB . 6683 1 318 . 1 1 74 74 ASP N N 15 120.64 0.30 . 1 . . . . 74 ASP N . 6683 1 319 . 1 1 75 75 ASP H H 1 8.36 0.03 . 1 . . . . 75 ASP H . 6683 1 320 . 1 1 75 75 ASP C C 13 176.34 0.20 . 1 . . . . 75 ASP C . 6683 1 321 . 1 1 75 75 ASP CA C 13 52.97 0.20 . 1 . . . . 75 ASP CA . 6683 1 322 . 1 1 75 75 ASP CB C 13 41.10 0.20 . 1 . . . . 75 ASP CB . 6683 1 323 . 1 1 75 75 ASP N N 15 123.56 0.30 . 1 . . . . 75 ASP N . 6683 1 324 . 1 1 76 76 MET H H 1 8.69 0.03 . 1 . . . . 76 MET H . 6683 1 325 . 1 1 76 76 MET CA C 13 61.75 0.20 . 1 . . . . 76 MET CA . 6683 1 326 . 1 1 76 76 MET CB C 13 32.49 0.20 . 1 . . . . 76 MET CB . 6683 1 327 . 1 1 76 76 MET N N 15 123.82 0.30 . 1 . . . . 76 MET N . 6683 1 328 . 1 1 77 77 PRO C C 13 179.29 0.20 . 1 . . . . 77 PRO C . 6683 1 329 . 1 1 77 77 PRO CA C 13 66.45 0.20 . 1 . . . . 77 PRO CA . 6683 1 330 . 1 1 77 77 PRO CB C 13 30.27 0.20 . 1 . . . . 77 PRO CB . 6683 1 331 . 1 1 78 78 ASN H H 1 7.36 0.03 . 1 . . . . 78 ASN H . 6683 1 332 . 1 1 78 78 ASN C C 13 178.44 0.20 . 1 . . . . 78 ASN C . 6683 1 333 . 1 1 78 78 ASN CA C 13 55.71 0.20 . 1 . . . . 78 ASN CA . 6683 1 334 . 1 1 78 78 ASN CB C 13 38.59 0.20 . 1 . . . . 78 ASN CB . 6683 1 335 . 1 1 78 78 ASN N N 15 113.95 0.30 . 1 . . . . 78 ASN N . 6683 1 336 . 1 1 79 79 ALA H H 1 8.02 0.03 . 1 . . . . 79 ALA H . 6683 1 337 . 1 1 79 79 ALA C C 13 179.93 0.20 . 1 . . . . 79 ALA C . 6683 1 338 . 1 1 79 79 ALA CA C 13 55.01 0.20 . 1 . . . . 79 ALA CA . 6683 1 339 . 1 1 79 79 ALA CB C 13 17.97 0.20 . 1 . . . . 79 ALA CB . 6683 1 340 . 1 1 79 79 ALA N N 15 124.44 0.30 . 1 . . . . 79 ALA N . 6683 1 341 . 1 1 80 80 LEU H H 1 8.16 0.03 . 1 . . . . 80 LEU H . 6683 1 342 . 1 1 80 80 LEU C C 13 177.83 0.20 . 1 . . . . 80 LEU C . 6683 1 343 . 1 1 80 80 LEU CA C 13 53.95 0.20 . 1 . . . . 80 LEU CA . 6683 1 344 . 1 1 80 80 LEU CB C 13 40.93 0.20 . 1 . . . . 80 LEU CB . 6683 1 345 . 1 1 80 80 LEU N N 15 115.04 0.30 . 1 . . . . 80 LEU N . 6683 1 346 . 1 1 81 81 SER H H 1 7.28 0.03 . 1 . . . . 81 SER H . 6683 1 347 . 1 1 81 81 SER CA C 13 62.33 0.20 . 1 . . . . 81 SER CA . 6683 1 348 . 1 1 81 81 SER CB C 13 63.07 0.20 . 1 . . . . 81 SER CB . 6683 1 349 . 1 1 81 81 SER N N 15 118.40 0.30 . 1 . . . . 81 SER N . 6683 1 350 . 1 1 88 88 ALA C C 13 177.83 0.20 . 1 . . . . 88 ALA C . 6683 1 351 . 1 1 88 88 ALA CA C 13 53.70 0.20 . 1 . . . . 88 ALA CA . 6683 1 352 . 1 1 88 88 ALA CB C 13 18.10 0.20 . 1 . . . . 88 ALA CB . 6683 1 353 . 1 1 89 89 HIS H H 1 6.83 0.03 . 1 . . . . 89 HIS H . 6683 1 354 . 1 1 89 89 HIS CA C 13 54.85 0.20 . 1 . . . . 89 HIS CA . 6683 1 355 . 1 1 89 89 HIS CB C 13 30.20 0.20 . 1 . . . . 89 HIS CB . 6683 1 356 . 1 1 89 89 HIS N N 15 109.07 0.30 . 1 . . . . 89 HIS N . 6683 1 357 . 1 1 95 95 PRO C C 13 179.61 0.20 . 1 . . . . 95 PRO C . 6683 1 358 . 1 1 95 95 PRO CA C 13 65.90 0.20 . 1 . . . . 95 PRO CA . 6683 1 359 . 1 1 95 95 PRO CB C 13 32.87 0.20 . 1 . . . . 95 PRO CB . 6683 1 360 . 1 1 96 96 VAL H H 1 9.86 0.03 . 1 . . . . 96 VAL H . 6683 1 361 . 1 1 96 96 VAL CA C 13 66.40 0.20 . 1 . . . . 96 VAL CA . 6683 1 362 . 1 1 96 96 VAL CB C 13 31.43 0.20 . 1 . . . . 96 VAL CB . 6683 1 363 . 1 1 96 96 VAL N N 15 121.14 0.30 . 1 . . . . 96 VAL N . 6683 1 364 . 1 1 99 99 LYS C C 13 177.80 0.20 . 1 . . . . 99 LYS C . 6683 1 365 . 1 1 100 100 LEU H H 1 8.08 0.03 . 1 . . . . 100 LEU H . 6683 1 366 . 1 1 100 100 LEU CA C 13 57.64 0.20 . 1 . . . . 100 LEU CA . 6683 1 367 . 1 1 100 100 LEU CB C 13 39.79 0.20 . 1 . . . . 100 LEU CB . 6683 1 368 . 1 1 100 100 LEU N N 15 126.68 0.30 . 1 . . . . 100 LEU N . 6683 1 369 . 1 1 102 102 SER C C 13 175.36 0.20 . 1 . . . . 102 SER C . 6683 1 370 . 1 1 102 102 SER CA C 13 64.10 0.20 . 1 . . . . 102 SER CA . 6683 1 371 . 1 1 102 102 SER CB C 13 62.20 0.20 . 1 . . . . 102 SER CB . 6683 1 372 . 1 1 103 103 HIS H H 1 7.92 0.03 . 1 . . . . 103 HIS H . 6683 1 373 . 1 1 103 103 HIS C C 13 177.03 0.20 . 1 . . . . 103 HIS C . 6683 1 374 . 1 1 103 103 HIS CA C 13 60.02 0.20 . 1 . . . . 103 HIS CA . 6683 1 375 . 1 1 103 103 HIS CB C 13 30.89 0.20 . 1 . . . . 103 HIS CB . 6683 1 376 . 1 1 103 103 HIS N N 15 121.39 0.30 . 1 . . . . 103 HIS N . 6683 1 377 . 1 1 104 104 CYS H H 1 7.68 0.03 . 1 . . . . 104 CYS H . 6683 1 378 . 1 1 104 104 CYS C C 13 178.03 0.20 . 1 . . . . 104 CYS C . 6683 1 379 . 1 1 104 104 CYS CA C 13 65.72 0.20 . 1 . . . . 104 CYS CA . 6683 1 380 . 1 1 104 104 CYS CB C 13 27.44 0.20 . 1 . . . . 104 CYS CB . 6683 1 381 . 1 1 104 104 CYS N N 15 115.88 0.30 . 1 . . . . 104 CYS N . 6683 1 382 . 1 1 105 105 LEU H H 1 8.70 0.03 . 1 . . . . 105 LEU H . 6683 1 383 . 1 1 105 105 LEU C C 13 177.70 0.20 . 1 . . . . 105 LEU C . 6683 1 384 . 1 1 105 105 LEU CA C 13 58.17 0.20 . 1 . . . . 105 LEU CA . 6683 1 385 . 1 1 105 105 LEU CB C 13 40.74 0.20 . 1 . . . . 105 LEU CB . 6683 1 386 . 1 1 105 105 LEU N N 15 126.34 0.30 . 1 . . . . 105 LEU N . 6683 1 387 . 1 1 106 106 LEU H H 1 7.98 0.03 . 1 . . . . 106 LEU H . 6683 1 388 . 1 1 106 106 LEU C C 13 178.37 0.20 . 1 . . . . 106 LEU C . 6683 1 389 . 1 1 106 106 LEU CA C 13 58.80 0.20 . 1 . . . . 106 LEU CA . 6683 1 390 . 1 1 106 106 LEU CB C 13 40.94 0.20 . 1 . . . . 106 LEU CB . 6683 1 391 . 1 1 106 106 LEU N N 15 122.29 0.30 . 1 . . . . 106 LEU N . 6683 1 392 . 1 1 107 107 VAL H H 1 8.03 0.03 . 1 . . . . 107 VAL H . 6683 1 393 . 1 1 107 107 VAL C C 13 176.66 0.20 . 1 . . . . 107 VAL C . 6683 1 394 . 1 1 107 107 VAL CA C 13 66.63 0.20 . 1 . . . . 107 VAL CA . 6683 1 395 . 1 1 107 107 VAL CB C 13 31.56 0.20 . 1 . . . . 107 VAL CB . 6683 1 396 . 1 1 107 107 VAL N N 15 118.51 0.30 . 1 . . . . 107 VAL N . 6683 1 397 . 1 1 108 108 THR H H 1 7.05 0.03 . 1 . . . . 108 THR H . 6683 1 398 . 1 1 108 108 THR C C 13 176.13 0.20 . 1 . . . . 108 THR C . 6683 1 399 . 1 1 108 108 THR CA C 13 67.46 0.20 . 1 . . . . 108 THR CA . 6683 1 400 . 1 1 108 108 THR CB C 13 68.28 0.20 . 1 . . . . 108 THR CB . 6683 1 401 . 1 1 108 108 THR N N 15 116.12 0.30 . 1 . . . . 108 THR N . 6683 1 402 . 1 1 109 109 LEU H H 1 7.87 0.03 . 1 . . . . 109 LEU H . 6683 1 403 . 1 1 109 109 LEU C C 13 177.94 0.20 . 1 . . . . 109 LEU C . 6683 1 404 . 1 1 109 109 LEU CA C 13 58.33 0.20 . 1 . . . . 109 LEU CA . 6683 1 405 . 1 1 109 109 LEU CB C 13 40.05 0.20 . 1 . . . . 109 LEU CB . 6683 1 406 . 1 1 109 109 LEU N N 15 121.60 0.30 . 1 . . . . 109 LEU N . 6683 1 407 . 1 1 110 110 ALA H H 1 7.80 0.03 . 1 . . . . 110 ALA H . 6683 1 408 . 1 1 110 110 ALA C C 13 178.44 0.20 . 1 . . . . 110 ALA C . 6683 1 409 . 1 1 110 110 ALA CA C 13 55.16 0.20 . 1 . . . . 110 ALA CA . 6683 1 410 . 1 1 110 110 ALA CB C 13 17.72 0.20 . 1 . . . . 110 ALA CB . 6683 1 411 . 1 1 110 110 ALA N N 15 122.94 0.30 . 1 . . . . 110 ALA N . 6683 1 412 . 1 1 111 111 ALA H H 1 7.34 0.03 . 1 . . . . 111 ALA H . 6683 1 413 . 1 1 111 111 ALA C C 13 179.76 0.20 . 1 . . . . 111 ALA C . 6683 1 414 . 1 1 111 111 ALA CA C 13 53.04 0.20 . 1 . . . . 111 ALA CA . 6683 1 415 . 1 1 111 111 ALA CB C 13 17.14 0.20 . 1 . . . . 111 ALA CB . 6683 1 416 . 1 1 111 111 ALA N N 15 114.88 0.30 . 1 . . . . 111 ALA N . 6683 1 417 . 1 1 112 112 HIS H H 1 7.08 0.03 . 1 . . . . 112 HIS H . 6683 1 418 . 1 1 112 112 HIS C C 13 174.81 0.20 . 1 . . . . 112 HIS C . 6683 1 419 . 1 1 112 112 HIS CA C 13 56.68 0.20 . 1 . . . . 112 HIS CA . 6683 1 420 . 1 1 112 112 HIS CB C 13 30.23 0.20 . 1 . . . . 112 HIS CB . 6683 1 421 . 1 1 112 112 HIS N N 15 113.61 0.30 . 1 . . . . 112 HIS N . 6683 1 422 . 1 1 113 113 LEU H H 1 7.90 0.03 . 1 . . . . 113 LEU H . 6683 1 423 . 1 1 113 113 LEU CA C 13 52.20 0.20 . 1 . . . . 113 LEU CA . 6683 1 424 . 1 1 113 113 LEU CB C 13 41.14 0.20 . 1 . . . . 113 LEU CB . 6683 1 425 . 1 1 113 113 LEU N N 15 122.28 0.30 . 1 . . . . 113 LEU N . 6683 1 426 . 1 1 114 114 PRO C C 13 180.61 0.20 . 1 . . . . 114 PRO C . 6683 1 427 . 1 1 114 114 PRO CA C 13 65.54 0.20 . 1 . . . . 114 PRO CA . 6683 1 428 . 1 1 114 114 PRO CB C 13 29.85 0.20 . 1 . . . . 114 PRO CB . 6683 1 429 . 1 1 115 115 ALA H H 1 8.16 0.03 . 1 . . . . 115 ALA H . 6683 1 430 . 1 1 115 115 ALA C C 13 179.86 0.20 . 1 . . . . 115 ALA C . 6683 1 431 . 1 1 115 115 ALA CA C 13 54.11 0.20 . 1 . . . . 115 ALA CA . 6683 1 432 . 1 1 115 115 ALA CB C 13 17.75 0.20 . 1 . . . . 115 ALA CB . 6683 1 433 . 1 1 115 115 ALA N N 15 119.68 0.30 . 1 . . . . 115 ALA N . 6683 1 434 . 1 1 116 116 GLU H H 1 7.80 0.03 . 1 . . . . 116 GLU H . 6683 1 435 . 1 1 116 116 GLU C C 13 178.01 0.20 . 1 . . . . 116 GLU C . 6683 1 436 . 1 1 116 116 GLU CA C 13 57.36 0.20 . 1 . . . . 116 GLU CA . 6683 1 437 . 1 1 116 116 GLU CB C 13 28.65 0.20 . 1 . . . . 116 GLU CB . 6683 1 438 . 1 1 116 116 GLU N N 15 115.79 0.30 . 1 . . . . 116 GLU N . 6683 1 439 . 1 1 117 117 PHE H H 1 7.67 0.03 . 1 . . . . 117 PHE H . 6683 1 440 . 1 1 117 117 PHE C C 13 175.63 0.20 . 1 . . . . 117 PHE C . 6683 1 441 . 1 1 117 117 PHE CA C 13 57.61 0.20 . 1 . . . . 117 PHE CA . 6683 1 442 . 1 1 117 117 PHE CB C 13 37.34 0.20 . 1 . . . . 117 PHE CB . 6683 1 443 . 1 1 117 117 PHE N N 15 123.71 0.30 . 1 . . . . 117 PHE N . 6683 1 444 . 1 1 118 118 THR H H 1 7.97 0.03 . 1 . . . . 118 THR H . 6683 1 445 . 1 1 118 118 THR CA C 13 60.50 0.20 . 1 . . . . 118 THR CA . 6683 1 446 . 1 1 118 118 THR CB C 13 67.44 0.20 . 1 . . . . 118 THR CB . 6683 1 447 . 1 1 118 118 THR N N 15 116.71 0.30 . 1 . . . . 118 THR N . 6683 1 448 . 1 1 119 119 PRO C C 13 177.09 0.20 . 1 . . . . 119 PRO C . 6683 1 449 . 1 1 119 119 PRO CA C 13 66.74 0.20 . 1 . . . . 119 PRO CA . 6683 1 450 . 1 1 119 119 PRO CB C 13 31.26 0.20 . 1 . . . . 119 PRO CB . 6683 1 451 . 1 1 120 120 ALA H H 1 8.41 0.03 . 1 . . . . 120 ALA H . 6683 1 452 . 1 1 120 120 ALA C C 13 180.72 0.20 . 1 . . . . 120 ALA C . 6683 1 453 . 1 1 120 120 ALA CA C 13 54.64 0.20 . 1 . . . . 120 ALA CA . 6683 1 454 . 1 1 120 120 ALA CB C 13 18.22 0.20 . 1 . . . . 120 ALA CB . 6683 1 455 . 1 1 120 120 ALA N N 15 117.51 0.30 . 1 . . . . 120 ALA N . 6683 1 456 . 1 1 121 121 VAL H H 1 7.26 0.03 . 1 . . . . 121 VAL H . 6683 1 457 . 1 1 121 121 VAL C C 13 177.37 0.20 . 1 . . . . 121 VAL C . 6683 1 458 . 1 1 121 121 VAL CA C 13 66.99 0.20 . 1 . . . . 121 VAL CA . 6683 1 459 . 1 1 121 121 VAL CB C 13 31.22 0.20 . 1 . . . . 121 VAL CB . 6683 1 460 . 1 1 121 121 VAL N N 15 121.28 0.30 . 1 . . . . 121 VAL N . 6683 1 461 . 1 1 122 122 HIS H H 1 8.47 0.03 . 1 . . . . 122 HIS H . 6683 1 462 . 1 1 122 122 HIS C C 13 177.98 0.20 . 1 . . . . 122 HIS C . 6683 1 463 . 1 1 122 122 HIS CA C 13 57.52 0.20 . 1 . . . . 122 HIS CA . 6683 1 464 . 1 1 122 122 HIS CB C 13 32.30 0.20 . 1 . . . . 122 HIS CB . 6683 1 465 . 1 1 122 122 HIS N N 15 123.24 0.30 . 1 . . . . 122 HIS N . 6683 1 466 . 1 1 123 123 ALA H H 1 7.96 0.03 . 1 . . . . 123 ALA H . 6683 1 467 . 1 1 123 123 ALA C C 13 180.04 0.20 . 1 . . . . 123 ALA C . 6683 1 468 . 1 1 123 123 ALA CA C 13 55.97 0.20 . 1 . . . . 123 ALA CA . 6683 1 469 . 1 1 123 123 ALA CB C 13 17.56 0.20 . 1 . . . . 123 ALA CB . 6683 1 470 . 1 1 123 123 ALA N N 15 121.87 0.30 . 1 . . . . 123 ALA N . 6683 1 471 . 1 1 124 124 SER H H 1 8.20 0.03 . 1 . . . . 124 SER H . 6683 1 472 . 1 1 124 124 SER C C 13 176.48 0.20 . 1 . . . . 124 SER C . 6683 1 473 . 1 1 124 124 SER CA C 13 62.80 0.20 . 1 . . . . 124 SER CA . 6683 1 474 . 1 1 124 124 SER N N 15 116.58 0.30 . 1 . . . . 124 SER N . 6683 1 475 . 1 1 125 125 LEU H H 1 9.27 0.03 . 1 . . . . 125 LEU H . 6683 1 476 . 1 1 125 125 LEU C C 13 179.04 0.20 . 1 . . . . 125 LEU C . 6683 1 477 . 1 1 125 125 LEU CA C 13 57.93 0.20 . 1 . . . . 125 LEU CA . 6683 1 478 . 1 1 125 125 LEU CB C 13 42.24 0.20 . 1 . . . . 125 LEU CB . 6683 1 479 . 1 1 125 125 LEU N N 15 122.79 0.30 . 1 . . . . 125 LEU N . 6683 1 480 . 1 1 126 126 ASP H H 1 8.62 0.03 . 1 . . . . 126 ASP H . 6683 1 481 . 1 1 126 126 ASP C C 13 180.18 0.20 . 1 . . . . 126 ASP C . 6683 1 482 . 1 1 126 126 ASP CA C 13 58.81 0.20 . 1 . . . . 126 ASP CA . 6683 1 483 . 1 1 126 126 ASP CB C 13 42.53 0.20 . 1 . . . . 126 ASP CB . 6683 1 484 . 1 1 126 126 ASP N N 15 121.87 0.30 . 1 . . . . 126 ASP N . 6683 1 485 . 1 1 127 127 LYS H H 1 8.21 0.03 . 1 . . . . 127 LYS H . 6683 1 486 . 1 1 127 127 LYS C C 13 180.40 0.20 . 1 . . . . 127 LYS C . 6683 1 487 . 1 1 127 127 LYS CA C 13 60.42 0.20 . 1 . . . . 127 LYS CA . 6683 1 488 . 1 1 127 127 LYS CB C 13 32.06 0.20 . 1 . . . . 127 LYS CB . 6683 1 489 . 1 1 127 127 LYS N N 15 119.30 0.30 . 1 . . . . 127 LYS N . 6683 1 490 . 1 1 128 128 PHE H H 1 8.99 0.03 . 1 . . . . 128 PHE H . 6683 1 491 . 1 1 128 128 PHE C C 13 176.84 0.20 . 1 . . . . 128 PHE C . 6683 1 492 . 1 1 128 128 PHE CA C 13 61.20 0.20 . 1 . . . . 128 PHE CA . 6683 1 493 . 1 1 128 128 PHE CB C 13 39.55 0.20 . 1 . . . . 128 PHE CB . 6683 1 494 . 1 1 128 128 PHE N N 15 123.73 0.30 . 1 . . . . 128 PHE N . 6683 1 495 . 1 1 129 129 LEU H H 1 8.89 0.03 . 1 . . . . 129 LEU H . 6683 1 496 . 1 1 129 129 LEU C C 13 180.72 0.20 . 1 . . . . 129 LEU C . 6683 1 497 . 1 1 129 129 LEU CA C 13 57.88 0.20 . 1 . . . . 129 LEU CA . 6683 1 498 . 1 1 129 129 LEU CB C 13 39.18 0.20 . 1 . . . . 129 LEU CB . 6683 1 499 . 1 1 129 129 LEU N N 15 122.40 0.30 . 1 . . . . 129 LEU N . 6683 1 500 . 1 1 130 130 ALA H H 1 8.30 0.03 . 1 . . . . 130 ALA H . 6683 1 501 . 1 1 130 130 ALA C C 13 180.89 0.20 . 1 . . . . 130 ALA C . 6683 1 502 . 1 1 130 130 ALA CA C 13 55.34 0.20 . 1 . . . . 130 ALA CA . 6683 1 503 . 1 1 130 130 ALA CB C 13 17.23 0.20 . 1 . . . . 130 ALA CB . 6683 1 504 . 1 1 130 130 ALA N N 15 125.68 0.30 . 1 . . . . 130 ALA N . 6683 1 505 . 1 1 131 131 SER H H 1 8.26 0.03 . 1 . . . . 131 SER H . 6683 1 506 . 1 1 131 131 SER C C 13 177.33 0.20 . 1 . . . . 131 SER C . 6683 1 507 . 1 1 131 131 SER CA C 13 62.62 0.20 . 1 . . . . 131 SER CA . 6683 1 508 . 1 1 131 131 SER N N 15 119.62 0.30 . 1 . . . . 131 SER N . 6683 1 509 . 1 1 132 132 VAL H H 1 8.37 0.03 . 1 . . . . 132 VAL H . 6683 1 510 . 1 1 132 132 VAL CA C 13 66.90 0.20 . 1 . . . . 132 VAL CA . 6683 1 511 . 1 1 132 132 VAL CB C 13 31.34 0.20 . 1 . . . . 132 VAL CB . 6683 1 512 . 1 1 132 132 VAL N N 15 124.30 0.30 . 1 . . . . 132 VAL N . 6683 1 513 . 1 1 133 133 SER C C 13 176.48 0.20 . 1 . . . . 133 SER C . 6683 1 514 . 1 1 133 133 SER CA C 13 63.85 0.20 . 1 . . . . 133 SER CA . 6683 1 515 . 1 1 133 133 SER CB C 13 62.58 0.20 . 1 . . . . 133 SER CB . 6683 1 516 . 1 1 134 134 THR H H 1 8.46 0.03 . 1 . . . . 134 THR H . 6683 1 517 . 1 1 134 134 THR C C 13 177.30 0.20 . 1 . . . . 134 THR C . 6683 1 518 . 1 1 134 134 THR CA C 13 66.75 0.20 . 1 . . . . 134 THR CA . 6683 1 519 . 1 1 134 134 THR CB C 13 68.42 0.20 . 1 . . . . 134 THR CB . 6683 1 520 . 1 1 134 134 THR N N 15 121.74 0.30 . 1 . . . . 134 THR N . 6683 1 521 . 1 1 135 135 VAL H H 1 8.16 0.03 . 1 . . . . 135 VAL H . 6683 1 522 . 1 1 135 135 VAL CA C 13 67.12 0.20 . 1 . . . . 135 VAL CA . 6683 1 523 . 1 1 135 135 VAL CB C 13 30.57 0.20 . 1 . . . . 135 VAL CB . 6683 1 524 . 1 1 135 135 VAL N N 15 123.53 0.30 . 1 . . . . 135 VAL N . 6683 1 525 . 1 1 136 136 LEU C C 13 178.47 0.20 . 1 . . . . 136 LEU C . 6683 1 526 . 1 1 137 137 THR H H 1 7.35 0.03 . 1 . . . . 137 THR H . 6683 1 527 . 1 1 137 137 THR C C 13 176.98 0.20 . 1 . . . . 137 THR C . 6683 1 528 . 1 1 137 137 THR CA C 13 60.82 0.20 . 1 . . . . 137 THR CA . 6683 1 529 . 1 1 137 137 THR CB C 13 69.09 0.20 . 1 . . . . 137 THR CB . 6683 1 530 . 1 1 137 137 THR N N 15 107.42 0.30 . 1 . . . . 137 THR N . 6683 1 531 . 1 1 138 138 SER H H 1 7.46 0.03 . 1 . . . . 138 SER H . 6683 1 532 . 1 1 138 138 SER C C 13 176.52 0.20 . 1 . . . . 138 SER C . 6683 1 533 . 1 1 138 138 SER CA C 13 61.88 0.20 . 1 . . . . 138 SER CA . 6683 1 534 . 1 1 138 138 SER CB C 13 63.32 0.20 . 1 . . . . 138 SER CB . 6683 1 535 . 1 1 138 138 SER N N 15 120.68 0.30 . 1 . . . . 138 SER N . 6683 1 536 . 1 1 139 139 LYS H H 1 8.71 0.03 . 1 . . . . 139 LYS H . 6683 1 537 . 1 1 139 139 LYS C C 13 176.16 0.20 . 1 . . . . 139 LYS C . 6683 1 538 . 1 1 139 139 LYS CA C 13 54.79 0.20 . 1 . . . . 139 LYS CA . 6683 1 539 . 1 1 139 139 LYS CB C 13 31.07 0.20 . 1 . . . . 139 LYS CB . 6683 1 540 . 1 1 139 139 LYS N N 15 122.63 0.30 . 1 . . . . 139 LYS N . 6683 1 541 . 1 1 140 140 TYR H H 1 7.39 0.03 . 1 . . . . 140 TYR H . 6683 1 542 . 1 1 140 140 TYR C C 13 176.20 0.20 . 1 . . . . 140 TYR C . 6683 1 543 . 1 1 140 140 TYR CA C 13 62.01 0.20 . 1 . . . . 140 TYR CA . 6683 1 544 . 1 1 140 140 TYR CB C 13 37.46 0.20 . 1 . . . . 140 TYR CB . 6683 1 545 . 1 1 140 140 TYR N N 15 122.33 0.30 . 1 . . . . 140 TYR N . 6683 1 546 . 1 1 141 141 ARG H H 1 7.43 0.03 . 1 . . . . 141 ARG H . 6683 1 547 . 1 1 141 141 ARG CA C 13 56.62 0.20 . 1 . . . . 141 ARG CA . 6683 1 548 . 1 1 141 141 ARG CB C 13 30.84 0.20 . 1 . . . . 141 ARG CB . 6683 1 549 . 1 1 141 141 ARG N N 15 115.51 0.30 . 1 . . . . 141 ARG N . 6683 1 550 . 3 2 2 2 HIS C C 13 174.40 0.20 . 1 . . . . 2 HIS C . 6683 1 551 . 3 2 2 2 HIS CA C 13 55.59 0.20 . 1 . . . . 2 HIS CA . 6683 1 552 . 3 2 2 2 HIS CB C 13 30.02 0.20 . 1 . . . . 2 HIS CB . 6683 1 553 . 3 2 3 3 LEU H H 1 8.28 0.03 . 1 . . . . 3 LEU H . 6683 1 554 . 3 2 3 3 LEU C C 13 177.78 0.20 . 1 . . . . 3 LEU C . 6683 1 555 . 3 2 3 3 LEU CA C 13 53.81 0.20 . 1 . . . . 3 LEU CA . 6683 1 556 . 3 2 3 3 LEU CB C 13 43.47 0.20 . 1 . . . . 3 LEU CB . 6683 1 557 . 3 2 3 3 LEU N N 15 126.95 0.30 . 1 . . . . 3 LEU N . 6683 1 558 . 3 2 4 4 THR H H 1 9.22 0.03 . 1 . . . . 4 THR H . 6683 1 559 . 3 2 4 4 THR CA C 13 60.49 0.20 . 1 . . . . 4 THR CA . 6683 1 560 . 3 2 4 4 THR CB C 13 67.79 0.20 . 1 . . . . 4 THR CB . 6683 1 561 . 3 2 4 4 THR N N 15 116.63 0.30 . 1 . . . . 4 THR N . 6683 1 562 . 3 2 5 5 PRO C C 13 180.03 0.20 . 1 . . . . 5 PRO C . 6683 1 563 . 3 2 5 5 PRO CA C 13 66.19 0.20 . 1 . . . . 5 PRO CA . 6683 1 564 . 3 2 5 5 PRO CB C 13 30.88 0.20 . 1 . . . . 5 PRO CB . 6683 1 565 . 3 2 6 6 GLU H H 1 8.63 0.03 . 1 . . . . 6 GLU H . 6683 1 566 . 3 2 6 6 GLU C C 13 180.37 0.20 . 1 . . . . 6 GLU C . 6683 1 567 . 3 2 6 6 GLU CA C 13 60.03 0.20 . 1 . . . . 6 GLU CA . 6683 1 568 . 3 2 6 6 GLU CB C 13 28.29 0.20 . 1 . . . . 6 GLU CB . 6683 1 569 . 3 2 6 6 GLU N N 15 118.61 0.30 . 1 . . . . 6 GLU N . 6683 1 570 . 3 2 7 7 GLU H H 1 7.75 0.03 . 1 . . . . 7 GLU H . 6683 1 571 . 3 2 7 7 GLU C C 13 178.92 0.20 . 1 . . . . 7 GLU C . 6683 1 572 . 3 2 7 7 GLU CA C 13 58.92 0.20 . 1 . . . . 7 GLU CA . 6683 1 573 . 3 2 7 7 GLU CB C 13 30.53 0.20 . 1 . . . . 7 GLU CB . 6683 1 574 . 3 2 7 7 GLU N N 15 122.93 0.30 . 1 . . . . 7 GLU N . 6683 1 575 . 3 2 8 8 LYS H H 1 8.55 0.03 . 1 . . . . 8 LYS H . 6683 1 576 . 3 2 8 8 LYS C C 13 179.60 0.20 . 1 . . . . 8 LYS C . 6683 1 577 . 3 2 8 8 LYS CA C 13 60.50 0.20 . 1 . . . . 8 LYS CA . 6683 1 578 . 3 2 8 8 LYS CB C 13 31.60 0.20 . 1 . . . . 8 LYS CB . 6683 1 579 . 3 2 8 8 LYS N N 15 119.85 0.30 . 1 . . . . 8 LYS N . 6683 1 580 . 3 2 9 9 SER H H 1 8.03 0.03 . 1 . . . . 9 SER H . 6683 1 581 . 3 2 9 9 SER C C 13 176.62 0.20 . 1 . . . . 9 SER C . 6683 1 582 . 3 2 9 9 SER CA C 13 61.40 0.20 . 1 . . . . 9 SER CA . 6683 1 583 . 3 2 9 9 SER CB C 13 62.40 0.20 . 1 . . . . 9 SER CB . 6683 1 584 . 3 2 9 9 SER N N 15 115.47 0.30 . 1 . . . . 9 SER N . 6683 1 585 . 3 2 10 10 ALA H H 1 7.65 0.03 . 1 . . . . 10 ALA H . 6683 1 586 . 3 2 10 10 ALA C C 13 181.31 0.20 . 1 . . . . 10 ALA C . 6683 1 587 . 3 2 10 10 ALA CA C 13 54.85 0.20 . 1 . . . . 10 ALA CA . 6683 1 588 . 3 2 10 10 ALA CB C 13 17.88 0.20 . 1 . . . . 10 ALA CB . 6683 1 589 . 3 2 10 10 ALA N N 15 124.94 0.30 . 1 . . . . 10 ALA N . 6683 1 590 . 3 2 11 11 VAL H H 1 8.14 0.03 . 1 . . . . 11 VAL H . 6683 1 591 . 3 2 11 11 VAL C C 13 180.36 0.20 . 1 . . . . 11 VAL C . 6683 1 592 . 3 2 11 11 VAL CA C 13 65.92 0.20 . 1 . . . . 11 VAL CA . 6683 1 593 . 3 2 11 11 VAL CB C 13 31.09 0.20 . 1 . . . . 11 VAL CB . 6683 1 594 . 3 2 11 11 VAL N N 15 117.55 0.30 . 1 . . . . 11 VAL N . 6683 1 595 . 3 2 12 12 THR H H 1 8.33 0.03 . 1 . . . . 12 THR H . 6683 1 596 . 3 2 12 12 THR C C 13 177.39 0.20 . 1 . . . . 12 THR C . 6683 1 597 . 3 2 12 12 THR CA C 13 65.88 0.20 . 1 . . . . 12 THR CA . 6683 1 598 . 3 2 12 12 THR CB C 13 68.46 0.20 . 1 . . . . 12 THR CB . 6683 1 599 . 3 2 12 12 THR N N 15 116.51 0.30 . 1 . . . . 12 THR N . 6683 1 600 . 3 2 13 13 ALA H H 1 8.35 0.03 . 1 . . . . 13 ALA H . 6683 1 601 . 3 2 13 13 ALA C C 13 181.08 0.20 . 1 . . . . 13 ALA C . 6683 1 602 . 3 2 13 13 ALA CA C 13 55.02 0.20 . 1 . . . . 13 ALA CA . 6683 1 603 . 3 2 13 13 ALA CB C 13 17.61 0.20 . 1 . . . . 13 ALA CB . 6683 1 604 . 3 2 13 13 ALA N N 15 126.62 0.30 . 1 . . . . 13 ALA N . 6683 1 605 . 3 2 14 14 LEU H H 1 7.24 0.03 . 1 . . . . 14 LEU H . 6683 1 606 . 3 2 14 14 LEU C C 13 179.35 0.20 . 1 . . . . 14 LEU C . 6683 1 607 . 3 2 14 14 LEU CA C 13 57.80 0.20 . 1 . . . . 14 LEU CA . 6683 1 608 . 3 2 14 14 LEU CB C 13 40.83 0.20 . 1 . . . . 14 LEU CB . 6683 1 609 . 3 2 14 14 LEU N N 15 118.66 0.30 . 1 . . . . 14 LEU N . 6683 1 610 . 3 2 15 15 TRP H H 1 8.03 0.03 . 1 . . . . 15 TRP H . 6683 1 611 . 3 2 15 15 TRP C C 13 179.31 0.20 . 1 . . . . 15 TRP C . 6683 1 612 . 3 2 15 15 TRP CA C 13 59.95 0.20 . 1 . . . . 15 TRP CA . 6683 1 613 . 3 2 15 15 TRP CB C 13 28.38 0.20 . 1 . . . . 15 TRP CB . 6683 1 614 . 3 2 15 15 TRP N N 15 119.23 0.30 . 1 . . . . 15 TRP N . 6683 1 615 . 3 2 16 16 GLY H H 1 7.67 0.03 . 1 . . . . 16 GLY H . 6683 1 616 . 3 2 16 16 GLY C C 13 175.04 0.20 . 1 . . . . 16 GLY C . 6683 1 617 . 3 2 16 16 GLY CA C 13 46.16 0.20 . 1 . . . . 16 GLY CA . 6683 1 618 . 3 2 16 16 GLY N N 15 103.32 0.30 . 1 . . . . 16 GLY N . 6683 1 619 . 3 2 17 17 LYS H H 1 7.64 0.03 . 1 . . . . 17 LYS H . 6683 1 620 . 3 2 17 17 LYS C C 13 177.10 0.20 . 1 . . . . 17 LYS C . 6683 1 621 . 3 2 17 17 LYS CA C 13 55.84 0.20 . 1 . . . . 17 LYS CA . 6683 1 622 . 3 2 17 17 LYS CB C 13 32.77 0.20 . 1 . . . . 17 LYS CB . 6683 1 623 . 3 2 17 17 LYS N N 15 119.01 0.30 . 1 . . . . 17 LYS N . 6683 1 624 . 3 2 18 18 VAL H H 1 7.30 0.03 . 1 . . . . 18 VAL H . 6683 1 625 . 3 2 18 18 VAL C C 13 175.43 0.20 . 1 . . . . 18 VAL C . 6683 1 626 . 3 2 18 18 VAL CA C 13 62.80 0.20 . 1 . . . . 18 VAL CA . 6683 1 627 . 3 2 18 18 VAL CB C 13 31.43 0.20 . 1 . . . . 18 VAL CB . 6683 1 628 . 3 2 18 18 VAL N N 15 122.91 0.30 . 1 . . . . 18 VAL N . 6683 1 629 . 3 2 19 19 ASN H H 1 8.43 0.03 . 1 . . . . 19 ASN H . 6683 1 630 . 3 2 19 19 ASN C C 13 175.53 0.20 . 1 . . . . 19 ASN C . 6683 1 631 . 3 2 19 19 ASN CA C 13 51.54 0.20 . 1 . . . . 19 ASN CA . 6683 1 632 . 3 2 19 19 ASN CB C 13 36.94 0.20 . 1 . . . . 19 ASN CB . 6683 1 633 . 3 2 19 19 ASN N N 15 127.59 0.30 . 1 . . . . 19 ASN N . 6683 1 634 . 3 2 20 20 VAL H H 1 8.31 0.03 . 1 . . . . 20 VAL H . 6683 1 635 . 3 2 20 20 VAL C C 13 177.22 0.20 . 1 . . . . 20 VAL C . 6683 1 636 . 3 2 20 20 VAL CA C 13 66.10 0.20 . 1 . . . . 20 VAL CA . 6683 1 637 . 3 2 20 20 VAL CB C 13 31.14 0.20 . 1 . . . . 20 VAL CB . 6683 1 638 . 3 2 20 20 VAL N N 15 127.26 0.30 . 1 . . . . 20 VAL N . 6683 1 639 . 3 2 21 21 ASP H H 1 7.82 0.03 . 1 . . . . 21 ASP H . 6683 1 640 . 3 2 21 21 ASP C C 13 178.82 0.20 . 1 . . . . 21 ASP C . 6683 1 641 . 3 2 21 21 ASP CA C 13 57.18 0.20 . 1 . . . . 21 ASP CA . 6683 1 642 . 3 2 21 21 ASP CB C 13 39.84 0.20 . 1 . . . . 21 ASP CB . 6683 1 643 . 3 2 21 21 ASP N N 15 119.96 0.30 . 1 . . . . 21 ASP N . 6683 1 644 . 3 2 22 22 GLU H H 1 7.33 0.03 . 1 . . . . 22 GLU H . 6683 1 645 . 3 2 22 22 GLU C C 13 179.42 0.20 . 1 . . . . 22 GLU C . 6683 1 646 . 3 2 22 22 GLU CA C 13 58.18 0.20 . 1 . . . . 22 GLU CA . 6683 1 647 . 3 2 22 22 GLU CB C 13 30.05 0.20 . 1 . . . . 22 GLU CB . 6683 1 648 . 3 2 22 22 GLU N N 15 120.53 0.30 . 1 . . . . 22 GLU N . 6683 1 649 . 3 2 23 23 VAL H H 1 8.29 0.03 . 1 . . . . 23 VAL H . 6683 1 650 . 3 2 23 23 VAL C C 13 178.02 0.20 . 1 . . . . 23 VAL C . 6683 1 651 . 3 2 23 23 VAL CA C 13 65.92 0.20 . 1 . . . . 23 VAL CA . 6683 1 652 . 3 2 23 23 VAL CB C 13 31.02 0.20 . 1 . . . . 23 VAL CB . 6683 1 653 . 3 2 23 23 VAL N N 15 120.30 0.30 . 1 . . . . 23 VAL N . 6683 1 654 . 3 2 24 24 GLY H H 1 8.54 0.03 . 1 . . . . 24 GLY H . 6683 1 655 . 3 2 24 24 GLY C C 13 176.64 0.20 . 1 . . . . 24 GLY C . 6683 1 656 . 3 2 24 24 GLY CA C 13 48.06 0.20 . 1 . . . . 24 GLY CA . 6683 1 657 . 3 2 24 24 GLY N N 15 110.02 0.30 . 1 . . . . 24 GLY N . 6683 1 658 . 3 2 25 25 GLY H H 1 7.82 0.03 . 1 . . . . 25 GLY H . 6683 1 659 . 3 2 25 25 GLY C C 13 176.66 0.20 . 1 . . . . 25 GLY C . 6683 1 660 . 3 2 25 25 GLY CA C 13 47.91 0.20 . 1 . . . . 25 GLY CA . 6683 1 661 . 3 2 25 25 GLY N N 15 109.61 0.30 . 1 . . . . 25 GLY N . 6683 1 662 . 3 2 26 26 GLU H H 1 7.78 0.03 . 1 . . . . 26 GLU H . 6683 1 663 . 3 2 26 26 GLU C C 13 178.99 0.20 . 1 . . . . 26 GLU C . 6683 1 664 . 3 2 26 26 GLU CA C 13 59.08 0.20 . 1 . . . . 26 GLU CA . 6683 1 665 . 3 2 26 26 GLU CB C 13 29.55 0.20 . 1 . . . . 26 GLU CB . 6683 1 666 . 3 2 26 26 GLU N N 15 123.52 0.30 . 1 . . . . 26 GLU N . 6683 1 667 . 3 2 27 27 ALA H H 1 9.07 0.03 . 1 . . . . 27 ALA H . 6683 1 668 . 3 2 27 27 ALA CA C 13 55.37 0.20 . 1 . . . . 27 ALA CA . 6683 1 669 . 3 2 27 27 ALA CB C 13 17.51 0.20 . 1 . . . . 27 ALA CB . 6683 1 670 . 3 2 27 27 ALA N N 15 121.15 0.30 . 1 . . . . 27 ALA N . 6683 1 671 . 3 2 28 28 LEU C C 13 179.00 0.20 . 1 . . . . 28 LEU C . 6683 1 672 . 3 2 28 28 LEU CA C 13 57.66 0.20 . 1 . . . . 28 LEU CA . 6683 1 673 . 3 2 28 28 LEU CB C 13 41.12 0.20 . 1 . . . . 28 LEU CB . 6683 1 674 . 3 2 29 29 GLY H H 1 8.26 0.03 . 1 . . . . 29 GLY H . 6683 1 675 . 3 2 29 29 GLY C C 13 175.53 0.20 . 1 . . . . 29 GLY C . 6683 1 676 . 3 2 29 29 GLY CA C 13 47.90 0.20 . 1 . . . . 29 GLY CA . 6683 1 677 . 3 2 29 29 GLY N N 15 105.49 0.30 . 1 . . . . 29 GLY N . 6683 1 678 . 3 2 30 30 ARG H H 1 8.45 0.03 . 1 . . . . 30 ARG H . 6683 1 679 . 3 2 30 30 ARG C C 13 178.62 0.20 . 1 . . . . 30 ARG C . 6683 1 680 . 3 2 30 30 ARG CA C 13 60.83 0.20 . 1 . . . . 30 ARG CA . 6683 1 681 . 3 2 30 30 ARG CB C 13 30.06 0.20 . 1 . . . . 30 ARG CB . 6683 1 682 . 3 2 30 30 ARG N N 15 118.25 0.30 . 1 . . . . 30 ARG N . 6683 1 683 . 3 2 31 31 LEU H H 1 8.52 0.03 . 1 . . . . 31 LEU H . 6683 1 684 . 3 2 31 31 LEU C C 13 177.19 0.20 . 1 . . . . 31 LEU C . 6683 1 685 . 3 2 31 31 LEU CA C 13 60.28 0.20 . 1 . . . . 31 LEU CA . 6683 1 686 . 3 2 31 31 LEU CB C 13 41.97 0.20 . 1 . . . . 31 LEU CB . 6683 1 687 . 3 2 31 31 LEU N N 15 122.40 0.30 . 1 . . . . 31 LEU N . 6683 1 688 . 3 2 32 32 LEU H H 1 7.52 0.03 . 1 . . . . 32 LEU H . 6683 1 689 . 3 2 32 32 LEU C C 13 178.67 0.20 . 1 . . . . 32 LEU C . 6683 1 690 . 3 2 32 32 LEU CA C 13 57.07 0.20 . 1 . . . . 32 LEU CA . 6683 1 691 . 3 2 32 32 LEU CB C 13 41.80 0.20 . 1 . . . . 32 LEU CB . 6683 1 692 . 3 2 32 32 LEU N N 15 116.88 0.30 . 1 . . . . 32 LEU N . 6683 1 693 . 3 2 33 33 VAL H H 1 7.63 0.03 . 1 . . . . 33 VAL H . 6683 1 694 . 3 2 33 33 VAL C C 13 177.35 0.20 . 1 . . . . 33 VAL C . 6683 1 695 . 3 2 33 33 VAL CA C 13 64.54 0.20 . 1 . . . . 33 VAL CA . 6683 1 696 . 3 2 33 33 VAL CB C 13 32.48 0.20 . 1 . . . . 33 VAL CB . 6683 1 697 . 3 2 33 33 VAL N N 15 117.90 0.30 . 1 . . . . 33 VAL N . 6683 1 698 . 3 2 34 34 VAL H H 1 8.80 0.03 . 1 . . . . 34 VAL H . 6683 1 699 . 3 2 34 34 VAL C C 13 175.71 0.20 . 1 . . . . 34 VAL C . 6683 1 700 . 3 2 34 34 VAL CA C 13 65.71 0.20 . 1 . . . . 34 VAL CA . 6683 1 701 . 3 2 34 34 VAL CB C 13 31.44 0.20 . 1 . . . . 34 VAL CB . 6683 1 702 . 3 2 34 34 VAL N N 15 120.26 0.30 . 1 . . . . 34 VAL N . 6683 1 703 . 3 2 35 35 TYR H H 1 7.60 0.03 . 1 . . . . 35 TYR H . 6683 1 704 . 3 2 35 35 TYR CA C 13 53.00 0.20 . 1 . . . . 35 TYR CA . 6683 1 705 . 3 2 35 35 TYR CB C 13 36.48 0.20 . 1 . . . . 35 TYR CB . 6683 1 706 . 3 2 35 35 TYR N N 15 117.08 0.30 . 1 . . . . 35 TYR N . 6683 1 707 . 3 2 36 36 PRO C C 13 178.12 0.20 . 1 . . . . 36 PRO C . 6683 1 708 . 3 2 36 36 PRO CA C 13 65.35 0.20 . 1 . . . . 36 PRO CA . 6683 1 709 . 3 2 36 36 PRO CB C 13 31.32 0.20 . 1 . . . . 36 PRO CB . 6683 1 710 . 3 2 37 37 TRP H H 1 7.15 0.03 . 1 . . . . 37 TRP H . 6683 1 711 . 3 2 37 37 TRP C C 13 178.47 0.20 . 1 . . . . 37 TRP C . 6683 1 712 . 3 2 37 37 TRP CA C 13 60.25 0.20 . 1 . . . . 37 TRP CA . 6683 1 713 . 3 2 37 37 TRP CB C 13 25.53 0.20 . 1 . . . . 37 TRP CB . 6683 1 714 . 3 2 37 37 TRP N N 15 119.04 0.30 . 1 . . . . 37 TRP N . 6683 1 715 . 3 2 38 38 THR H H 1 8.06 0.03 . 1 . . . . 38 THR H . 6683 1 716 . 3 2 38 38 THR C C 13 175.56 0.20 . 1 . . . . 38 THR C . 6683 1 717 . 3 2 38 38 THR CA C 13 65.37 0.20 . 1 . . . . 38 THR CA . 6683 1 718 . 3 2 38 38 THR CB C 13 70.01 0.20 . 1 . . . . 38 THR CB . 6683 1 719 . 3 2 38 38 THR N N 15 116.18 0.30 . 1 . . . . 38 THR N . 6683 1 720 . 3 2 39 39 GLN H H 1 7.34 0.03 . 1 . . . . 39 GLN H . 6683 1 721 . 3 2 39 39 GLN C C 13 178.02 0.20 . 1 . . . . 39 GLN C . 6683 1 722 . 3 2 39 39 GLN CA C 13 57.50 0.20 . 1 . . . . 39 GLN CA . 6683 1 723 . 3 2 39 39 GLN CB C 13 27.27 0.20 . 1 . . . . 39 GLN CB . 6683 1 724 . 3 2 39 39 GLN N N 15 117.09 0.30 . 1 . . . . 39 GLN N . 6683 1 725 . 3 2 40 40 ARG H H 1 6.86 0.03 . 1 . . . . 40 ARG H . 6683 1 726 . 3 2 40 40 ARG CA C 13 57.21 0.20 . 1 . . . . 40 ARG CA . 6683 1 727 . 3 2 40 40 ARG CB C 13 27.66 0.20 . 1 . . . . 40 ARG CB . 6683 1 728 . 3 2 40 40 ARG N N 15 118.20 0.30 . 1 . . . . 40 ARG N . 6683 1 729 . 3 2 41 41 PHE C C 13 174.70 0.20 . 1 . . . . 41 PHE C . 6683 1 730 . 3 2 41 41 PHE CA C 13 57.26 0.20 . 1 . . . . 41 PHE CA . 6683 1 731 . 3 2 41 41 PHE CB C 13 36.70 0.20 . 1 . . . . 41 PHE CB . 6683 1 732 . 3 2 42 42 PHE H H 1 6.71 0.03 . 1 . . . . 42 PHE H . 6683 1 733 . 3 2 42 42 PHE C C 13 175.71 0.20 . 1 . . . . 42 PHE C . 6683 1 734 . 3 2 42 42 PHE CA C 13 55.70 0.20 . 1 . . . . 42 PHE CA . 6683 1 735 . 3 2 42 42 PHE CB C 13 38.78 0.20 . 1 . . . . 42 PHE CB . 6683 1 736 . 3 2 42 42 PHE N N 15 116.26 0.30 . 1 . . . . 42 PHE N . 6683 1 737 . 3 2 43 43 GLU H H 1 7.29 0.03 . 1 . . . . 43 GLU H . 6683 1 738 . 3 2 43 43 GLU CA C 13 59.11 0.20 . 1 . . . . 43 GLU CA . 6683 1 739 . 3 2 43 43 GLU CB C 13 28.35 0.20 . 1 . . . . 43 GLU CB . 6683 1 740 . 3 2 43 43 GLU N N 15 122.40 0.30 . 1 . . . . 43 GLU N . 6683 1 741 . 3 2 44 44 SER C C 13 175.82 0.20 . 1 . . . . 44 SER C . 6683 1 742 . 3 2 44 44 SER CA C 13 59.39 0.20 . 1 . . . . 44 SER CA . 6683 1 743 . 3 2 44 44 SER CB C 13 62.66 0.20 . 1 . . . . 44 SER CB . 6683 1 744 . 3 2 45 45 PHE H H 1 7.88 0.03 . 1 . . . . 45 PHE H . 6683 1 745 . 3 2 45 45 PHE C C 13 175.94 0.20 . 1 . . . . 45 PHE C . 6683 1 746 . 3 2 45 45 PHE CA C 13 56.24 0.20 . 1 . . . . 45 PHE CA . 6683 1 747 . 3 2 45 45 PHE CB C 13 35.62 0.20 . 1 . . . . 45 PHE CB . 6683 1 748 . 3 2 45 45 PHE N N 15 122.73 0.30 . 1 . . . . 45 PHE N . 6683 1 749 . 3 2 46 46 GLY H H 1 7.31 0.03 . 1 . . . . 46 GLY H . 6683 1 750 . 3 2 46 46 GLY C C 13 172.83 0.20 . 1 . . . . 46 GLY C . 6683 1 751 . 3 2 46 46 GLY CA C 13 44.12 0.20 . 1 . . . . 46 GLY CA . 6683 1 752 . 3 2 46 46 GLY N N 15 108.92 0.30 . 1 . . . . 46 GLY N . 6683 1 753 . 3 2 47 47 ASP H H 1 8.16 0.03 . 1 . . . . 47 ASP H . 6683 1 754 . 3 2 47 47 ASP C C 13 175.97 0.20 . 1 . . . . 47 ASP C . 6683 1 755 . 3 2 47 47 ASP CA C 13 55.34 0.20 . 1 . . . . 47 ASP CA . 6683 1 756 . 3 2 47 47 ASP CB C 13 40.04 0.20 . 1 . . . . 47 ASP CB . 6683 1 757 . 3 2 47 47 ASP N N 15 122.96 0.30 . 1 . . . . 47 ASP N . 6683 1 758 . 3 2 48 48 LEU H H 1 8.25 0.03 . 1 . . . . 48 LEU H . 6683 1 759 . 3 2 48 48 LEU C C 13 178.14 0.20 . 1 . . . . 48 LEU C . 6683 1 760 . 3 2 48 48 LEU CA C 13 52.57 0.20 . 1 . . . . 48 LEU CA . 6683 1 761 . 3 2 48 48 LEU CB C 13 40.36 0.20 . 1 . . . . 48 LEU CB . 6683 1 762 . 3 2 48 48 LEU N N 15 129.36 0.30 . 1 . . . . 48 LEU N . 6683 1 763 . 3 2 49 49 SER H H 1 8.04 0.03 . 1 . . . . 49 SER H . 6683 1 764 . 3 2 49 49 SER CA C 13 61.96 0.20 . 1 . . . . 49 SER CA . 6683 1 765 . 3 2 49 49 SER CB C 13 63.83 0.20 . 1 . . . . 49 SER CB . 6683 1 766 . 3 2 49 49 SER N N 15 113.96 0.30 . 1 . . . . 49 SER N . 6683 1 767 . 3 2 50 50 THR H H 1 6.96 0.03 . 1 . . . . 50 THR H . 6683 1 768 . 3 2 50 50 THR C C 13 175.23 0.20 . 1 . . . . 50 THR C . 6683 1 769 . 3 2 50 50 THR CA C 13 58.17 0.20 . 1 . . . . 50 THR CA . 6683 1 770 . 3 2 50 50 THR CB C 13 70.26 0.20 . 1 . . . . 50 THR CB . 6683 1 771 . 3 2 50 50 THR N N 15 112.27 0.30 . 1 . . . . 50 THR N . 6683 1 772 . 3 2 52 52 ASP C C 13 179.48 0.20 . 1 . . . . 52 ASP C . 6683 1 773 . 3 2 52 52 ASP CA C 13 56.99 0.20 . 1 . . . . 52 ASP CA . 6683 1 774 . 3 2 52 52 ASP CB C 13 39.87 0.20 . 1 . . . . 52 ASP CB . 6683 1 775 . 3 2 53 53 ALA H H 1 7.68 0.03 . 1 . . . . 53 ALA H . 6683 1 776 . 3 2 53 53 ALA C C 13 180.61 0.20 . 1 . . . . 53 ALA C . 6683 1 777 . 3 2 53 53 ALA CA C 13 54.62 0.20 . 1 . . . . 53 ALA CA . 6683 1 778 . 3 2 53 53 ALA CB C 13 17.86 0.20 . 1 . . . . 53 ALA CB . 6683 1 779 . 3 2 53 53 ALA N N 15 124.76 0.30 . 1 . . . . 53 ALA N . 6683 1 780 . 3 2 54 54 VAL H H 1 7.78 0.03 . 1 . . . . 54 VAL H . 6683 1 781 . 3 2 54 54 VAL C C 13 178.62 0.20 . 1 . . . . 54 VAL C . 6683 1 782 . 3 2 54 54 VAL CA C 13 66.76 0.20 . 1 . . . . 54 VAL CA . 6683 1 783 . 3 2 54 54 VAL CB C 13 31.26 0.20 . 1 . . . . 54 VAL CB . 6683 1 784 . 3 2 54 54 VAL N N 15 117.84 0.30 . 1 . . . . 54 VAL N . 6683 1 785 . 3 2 55 55 MET H H 1 7.96 0.03 . 1 . . . . 55 MET H . 6683 1 786 . 3 2 55 55 MET C C 13 178.85 0.20 . 1 . . . . 55 MET C . 6683 1 787 . 3 2 55 55 MET CA C 13 55.19 0.20 . 1 . . . . 55 MET CA . 6683 1 788 . 3 2 55 55 MET CB C 13 28.13 0.20 . 1 . . . . 55 MET CB . 6683 1 789 . 3 2 55 55 MET N N 15 112.91 0.30 . 1 . . . . 55 MET N . 6683 1 790 . 3 2 56 56 GLY H H 1 7.31 0.03 . 1 . . . . 56 GLY H . 6683 1 791 . 3 2 56 56 GLY C C 13 174.25 0.20 . 1 . . . . 56 GLY C . 6683 1 792 . 3 2 56 56 GLY CA C 13 44.08 0.20 . 1 . . . . 56 GLY CA . 6683 1 793 . 3 2 56 56 GLY N N 15 103.98 0.30 . 1 . . . . 56 GLY N . 6683 1 794 . 3 2 57 57 ASN H H 1 7.13 0.03 . 1 . . . . 57 ASN H . 6683 1 795 . 3 2 57 57 ASN CA C 13 51.80 0.20 . 1 . . . . 57 ASN CA . 6683 1 796 . 3 2 57 57 ASN CB C 13 38.54 0.20 . 1 . . . . 57 ASN CB . 6683 1 797 . 3 2 57 57 ASN N N 15 124.68 0.30 . 1 . . . . 57 ASN N . 6683 1 798 . 3 2 58 58 PRO C C 13 179.83 0.20 . 1 . . . . 58 PRO C . 6683 1 799 . 3 2 58 58 PRO CA C 13 64.70 0.20 . 1 . . . . 58 PRO CA . 6683 1 800 . 3 2 58 58 PRO CB C 13 31.42 0.20 . 1 . . . . 58 PRO CB . 6683 1 801 . 3 2 59 59 LYS H H 1 7.76 0.03 . 1 . . . . 59 LYS H . 6683 1 802 . 3 2 59 59 LYS C C 13 179.42 0.20 . 1 . . . . 59 LYS C . 6683 1 803 . 3 2 59 59 LYS CA C 13 58.68 0.20 . 1 . . . . 59 LYS CA . 6683 1 804 . 3 2 59 59 LYS CB C 13 29.42 0.20 . 1 . . . . 59 LYS CB . 6683 1 805 . 3 2 59 59 LYS N N 15 120.38 0.30 . 1 . . . . 59 LYS N . 6683 1 806 . 3 2 60 60 VAL H H 1 7.31 0.03 . 1 . . . . 60 VAL H . 6683 1 807 . 3 2 60 60 VAL C C 13 178.21 0.20 . 1 . . . . 60 VAL C . 6683 1 808 . 3 2 60 60 VAL CA C 13 66.09 0.20 . 1 . . . . 60 VAL CA . 6683 1 809 . 3 2 60 60 VAL CB C 13 30.98 0.20 . 1 . . . . 60 VAL CB . 6683 1 810 . 3 2 60 60 VAL N N 15 123.64 0.30 . 1 . . . . 60 VAL N . 6683 1 811 . 3 2 61 61 LYS H H 1 7.24 0.03 . 1 . . . . 61 LYS H . 6683 1 812 . 3 2 61 61 LYS C C 13 179.56 0.20 . 1 . . . . 61 LYS C . 6683 1 813 . 3 2 61 61 LYS CA C 13 60.16 0.20 . 1 . . . . 61 LYS CA . 6683 1 814 . 3 2 61 61 LYS CB C 13 31.33 0.20 . 1 . . . . 61 LYS CB . 6683 1 815 . 3 2 61 61 LYS N N 15 119.24 0.30 . 1 . . . . 61 LYS N . 6683 1 816 . 3 2 62 62 ALA H H 1 7.58 0.03 . 1 . . . . 62 ALA H . 6683 1 817 . 3 2 62 62 ALA CA C 13 54.51 0.20 . 1 . . . . 62 ALA CA . 6683 1 818 . 3 2 62 62 ALA CB C 13 17.46 0.20 . 1 . . . . 62 ALA CB . 6683 1 819 . 3 2 62 62 ALA N N 15 121.65 0.30 . 1 . . . . 62 ALA N . 6683 1 820 . 3 2 64 64 GLY C C 13 175.56 0.20 . 1 . . . . 64 GLY C . 6683 1 821 . 3 2 64 64 GLY CA C 13 46.84 0.20 . 1 . . . . 64 GLY CA . 6683 1 822 . 3 2 65 65 LYS H H 1 7.14 0.03 . 1 . . . . 65 LYS H . 6683 1 823 . 3 2 65 65 LYS CA C 13 59.36 0.20 . 1 . . . . 65 LYS CA . 6683 1 824 . 3 2 65 65 LYS CB C 13 31.41 0.20 . 1 . . . . 65 LYS CB . 6683 1 825 . 3 2 65 65 LYS N N 15 121.62 0.30 . 1 . . . . 65 LYS N . 6683 1 826 . 3 2 68 68 LEU CA C 13 56.29 0.20 . 1 . . . . 68 LEU CA . 6683 1 827 . 3 2 68 68 LEU CB C 13 35.80 0.20 . 1 . . . . 68 LEU CB . 6683 1 828 . 3 2 69 69 GLY H H 1 7.39 0.03 . 1 . . . . 69 GLY H . 6683 1 829 . 3 2 69 69 GLY CA C 13 44.23 0.20 . 1 . . . . 69 GLY CA . 6683 1 830 . 3 2 69 69 GLY N N 15 109.16 0.30 . 1 . . . . 69 GLY N . 6683 1 831 . 3 2 71 71 PHE C C 13 176.64 0.20 . 1 . . . . 71 PHE C . 6683 1 832 . 3 2 71 71 PHE CA C 13 61.95 0.20 . 1 . . . . 71 PHE CA . 6683 1 833 . 3 2 71 71 PHE CB C 13 40.02 0.20 . 1 . . . . 71 PHE CB . 6683 1 834 . 3 2 72 72 SER H H 1 8.37 0.03 . 1 . . . . 72 SER H . 6683 1 835 . 3 2 72 72 SER C C 13 177.65 0.20 . 1 . . . . 72 SER C . 6683 1 836 . 3 2 72 72 SER CA C 13 61.38 0.20 . 1 . . . . 72 SER CA . 6683 1 837 . 3 2 72 72 SER CB C 13 62.81 0.20 . 1 . . . . 72 SER CB . 6683 1 838 . 3 2 72 72 SER N N 15 114.21 0.30 . 1 . . . . 72 SER N . 6683 1 839 . 3 2 73 73 ASP H H 1 7.32 0.03 . 1 . . . . 73 ASP H . 6683 1 840 . 3 2 73 73 ASP C C 13 179.22 0.20 . 1 . . . . 73 ASP C . 6683 1 841 . 3 2 73 73 ASP CA C 13 56.92 0.20 . 1 . . . . 73 ASP CA . 6683 1 842 . 3 2 73 73 ASP CB C 13 39.64 0.20 . 1 . . . . 73 ASP CB . 6683 1 843 . 3 2 73 73 ASP N N 15 122.33 0.30 . 1 . . . . 73 ASP N . 6683 1 844 . 3 2 74 74 GLY H H 1 7.37 0.03 . 1 . . . . 74 GLY H . 6683 1 845 . 3 2 74 74 GLY C C 13 174.65 0.20 . 1 . . . . 74 GLY C . 6683 1 846 . 3 2 74 74 GLY CA C 13 46.75 0.20 . 1 . . . . 74 GLY CA . 6683 1 847 . 3 2 74 74 GLY N N 15 107.83 0.30 . 1 . . . . 74 GLY N . 6683 1 848 . 3 2 75 75 LEU H H 1 6.99 0.03 . 1 . . . . 75 LEU H . 6683 1 849 . 3 2 75 75 LEU C C 13 178.01 0.20 . 1 . . . . 75 LEU C . 6683 1 850 . 3 2 75 75 LEU CA C 13 56.52 0.20 . 1 . . . . 75 LEU CA . 6683 1 851 . 3 2 75 75 LEU CB C 13 39.59 0.20 . 1 . . . . 75 LEU CB . 6683 1 852 . 3 2 75 75 LEU N N 15 119.88 0.30 . 1 . . . . 75 LEU N . 6683 1 853 . 3 2 76 76 ALA H H 1 6.82 0.03 . 1 . . . . 76 ALA H . 6683 1 854 . 3 2 76 76 ALA C C 13 177.40 0.20 . 1 . . . . 76 ALA C . 6683 1 855 . 3 2 76 76 ALA CA C 13 52.19 0.20 . 1 . . . . 76 ALA CA . 6683 1 856 . 3 2 76 76 ALA CB C 13 17.97 0.20 . 1 . . . . 76 ALA CB . 6683 1 857 . 3 2 76 76 ALA N N 15 119.64 0.30 . 1 . . . . 76 ALA N . 6683 1 858 . 3 2 77 77 HIS H H 1 7.38 0.03 . 1 . . . . 77 HIS H . 6683 1 859 . 3 2 77 77 HIS C C 13 176.00 0.20 . 1 . . . . 77 HIS C . 6683 1 860 . 3 2 77 77 HIS CA C 13 53.88 0.20 . 1 . . . . 77 HIS CA . 6683 1 861 . 3 2 77 77 HIS CB C 13 29.43 0.20 . 1 . . . . 77 HIS CB . 6683 1 862 . 3 2 77 77 HIS N N 15 119.64 0.30 . 1 . . . . 77 HIS N . 6683 1 863 . 3 2 78 78 LEU H H 1 7.53 0.03 . 1 . . . . 78 LEU H . 6683 1 864 . 3 2 78 78 LEU C C 13 177.86 0.20 . 1 . . . . 78 LEU C . 6683 1 865 . 3 2 78 78 LEU CA C 13 57.75 0.20 . 1 . . . . 78 LEU CA . 6683 1 866 . 3 2 78 78 LEU CB C 13 41.20 0.20 . 1 . . . . 78 LEU CB . 6683 1 867 . 3 2 78 78 LEU N N 15 120.95 0.30 . 1 . . . . 78 LEU N . 6683 1 868 . 3 2 79 79 ASP H H 1 8.32 0.03 . 1 . . . . 79 ASP H . 6683 1 869 . 3 2 79 79 ASP C C 13 176.21 0.20 . 1 . . . . 79 ASP C . 6683 1 870 . 3 2 79 79 ASP CA C 13 54.29 0.20 . 1 . . . . 79 ASP CA . 6683 1 871 . 3 2 79 79 ASP CB C 13 39.96 0.20 . 1 . . . . 79 ASP CB . 6683 1 872 . 3 2 79 79 ASP N N 15 116.27 0.30 . 1 . . . . 79 ASP N . 6683 1 873 . 3 2 80 80 ASN H H 1 7.88 0.03 . 1 . . . . 80 ASN H . 6683 1 874 . 3 2 80 80 ASN C C 13 176.39 0.20 . 1 . . . . 80 ASN C . 6683 1 875 . 3 2 80 80 ASN CA C 13 51.69 0.20 . 1 . . . . 80 ASN CA . 6683 1 876 . 3 2 80 80 ASN CB C 13 37.73 0.20 . 1 . . . . 80 ASN CB . 6683 1 877 . 3 2 80 80 ASN N N 15 120.23 0.30 . 1 . . . . 80 ASN N . 6683 1 878 . 3 2 81 81 LEU H H 1 8.62 0.03 . 1 . . . . 81 LEU H . 6683 1 879 . 3 2 81 81 LEU C C 13 179.62 0.20 . 1 . . . . 81 LEU C . 6683 1 880 . 3 2 81 81 LEU CA C 13 58.16 0.20 . 1 . . . . 81 LEU CA . 6683 1 881 . 3 2 81 81 LEU CB C 13 41.81 0.20 . 1 . . . . 81 LEU CB . 6683 1 882 . 3 2 81 81 LEU N N 15 126.84 0.30 . 1 . . . . 81 LEU N . 6683 1 883 . 3 2 82 82 LYS H H 1 8.52 0.03 . 1 . . . . 82 LYS H . 6683 1 884 . 3 2 82 82 LYS C C 13 179.02 0.20 . 1 . . . . 82 LYS C . 6683 1 885 . 3 2 82 82 LYS CA C 13 60.88 0.20 . 1 . . . . 82 LYS CA . 6683 1 886 . 3 2 82 82 LYS CB C 13 30.79 0.20 . 1 . . . . 82 LYS CB . 6683 1 887 . 3 2 82 82 LYS N N 15 118.99 0.30 . 1 . . . . 82 LYS N . 6683 1 888 . 3 2 83 83 GLY H H 1 7.30 0.03 . 1 . . . . 83 GLY H . 6683 1 889 . 3 2 83 83 GLY C C 13 177.04 0.20 . 1 . . . . 83 GLY C . 6683 1 890 . 3 2 83 83 GLY CA C 13 46.70 0.20 . 1 . . . . 83 GLY CA . 6683 1 891 . 3 2 83 83 GLY N N 15 105.16 0.30 . 1 . . . . 83 GLY N . 6683 1 892 . 3 2 84 84 THR H H 1 7.28 0.03 . 1 . . . . 84 THR H . 6683 1 893 . 3 2 84 84 THR C C 13 175.89 0.20 . 1 . . . . 84 THR C . 6683 1 894 . 3 2 84 84 THR CA C 13 65.91 0.20 . 1 . . . . 84 THR CA . 6683 1 895 . 3 2 84 84 THR CB C 13 68.21 0.20 . 1 . . . . 84 THR CB . 6683 1 896 . 3 2 84 84 THR N N 15 118.67 0.30 . 1 . . . . 84 THR N . 6683 1 897 . 3 2 85 85 PHE H H 1 7.24 0.03 . 1 . . . . 85 PHE H . 6683 1 898 . 3 2 85 85 PHE C C 13 174.79 0.20 . 1 . . . . 85 PHE C . 6683 1 899 . 3 2 85 85 PHE CA C 13 58.39 0.20 . 1 . . . . 85 PHE CA . 6683 1 900 . 3 2 85 85 PHE CB C 13 37.27 0.20 . 1 . . . . 85 PHE CB . 6683 1 901 . 3 2 85 85 PHE N N 15 116.25 0.30 . 1 . . . . 85 PHE N . 6683 1 902 . 3 2 86 86 ALA H H 1 6.96 0.03 . 1 . . . . 86 ALA H . 6683 1 903 . 3 2 86 86 ALA C C 13 179.73 0.20 . 1 . . . . 86 ALA C . 6683 1 904 . 3 2 86 86 ALA CA C 13 56.85 0.20 . 1 . . . . 86 ALA CA . 6683 1 905 . 3 2 86 86 ALA CB C 13 17.82 0.20 . 1 . . . . 86 ALA CB . 6683 1 906 . 3 2 86 86 ALA N N 15 125.47 0.30 . 1 . . . . 86 ALA N . 6683 1 907 . 3 2 87 87 THR H H 1 8.43 0.03 . 1 . . . . 87 THR H . 6683 1 908 . 3 2 87 87 THR CA C 13 66.62 0.20 . 1 . . . . 87 THR CA . 6683 1 909 . 3 2 87 87 THR CB C 13 68.06 0.20 . 1 . . . . 87 THR CB . 6683 1 910 . 3 2 87 87 THR N N 15 115.31 0.30 . 1 . . . . 87 THR N . 6683 1 911 . 3 2 93 93 CYS C C 13 176.73 0.20 . 1 . . . . 93 CYS C . 6683 1 912 . 3 2 93 93 CYS CA C 13 63.11 0.20 . 1 . . . . 93 CYS CA . 6683 1 913 . 3 2 93 93 CYS CB C 13 25.58 0.20 . 1 . . . . 93 CYS CB . 6683 1 914 . 3 2 94 94 ASP H H 1 8.93 0.03 . 1 . . . . 94 ASP H . 6683 1 915 . 3 2 94 94 ASP C C 13 177.10 0.20 . 1 . . . . 94 ASP C . 6683 1 916 . 3 2 94 94 ASP CA C 13 57.46 0.20 . 1 . . . . 94 ASP CA . 6683 1 917 . 3 2 94 94 ASP CB C 13 40.78 0.20 . 1 . . . . 94 ASP CB . 6683 1 918 . 3 2 94 94 ASP N N 15 117.16 0.30 . 1 . . . . 94 ASP N . 6683 1 919 . 3 2 95 95 LYS H H 1 8.16 0.03 . 1 . . . . 95 LYS H . 6683 1 920 . 3 2 95 95 LYS CA C 13 57.16 0.20 . 1 . . . . 95 LYS CA . 6683 1 921 . 3 2 95 95 LYS N N 15 117.20 0.30 . 1 . . . . 95 LYS N . 6683 1 922 . 3 2 98 98 VAL CA C 13 68.00 0.20 . 1 . . . . 98 VAL CA . 6683 1 923 . 3 2 98 98 VAL CB C 13 31.53 0.20 . 1 . . . . 98 VAL CB . 6683 1 924 . 3 2 99 99 ASP N N 15 123.08 0.30 . 1 . . . . 99 ASP N . 6683 1 925 . 3 2 99 99 ASP CA C 13 58.50 0.20 . 1 . . . . 99 ASP CA . 6683 1 926 . 3 2 99 99 ASP CB C 13 40.99 0.20 . 1 . . . . 99 ASP CB . 6683 1 927 . 3 2 99 99 ASP H H 1 10.05 0.03 . 1 . . . . 99 ASP H . 6683 1 928 . 3 2 100 100 PRO C C 13 178.38 0.20 . 1 . . . . 100 PRO C . 6683 1 929 . 3 2 100 100 PRO CA C 13 63.37 0.20 . 1 . . . . 100 PRO CA . 6683 1 930 . 3 2 100 100 PRO CB C 13 31.01 0.20 . 1 . . . . 100 PRO CB . 6683 1 931 . 3 2 101 101 GLU H H 1 8.17 0.03 . 1 . . . . 101 GLU H . 6683 1 932 . 3 2 101 101 GLU CA C 13 59.08 0.20 . 1 . . . . 101 GLU CA . 6683 1 933 . 3 2 101 101 GLU CB C 13 28.41 0.20 . 1 . . . . 101 GLU CB . 6683 1 934 . 3 2 101 101 GLU N N 15 124.40 0.30 . 1 . . . . 101 GLU N . 6683 1 935 . 3 2 103 103 PHE C C 13 180.25 0.20 . 1 . . . . 103 PHE C . 6683 1 936 . 3 2 103 103 PHE CA C 13 59.21 0.20 . 1 . . . . 103 PHE CA . 6683 1 937 . 3 2 103 103 PHE CB C 13 38.26 0.20 . 1 . . . . 103 PHE CB . 6683 1 938 . 3 2 104 104 ARG H H 1 7.66 0.03 . 1 . . . . 104 ARG H . 6683 1 939 . 3 2 104 104 ARG C C 13 180.23 0.20 . 1 . . . . 104 ARG C . 6683 1 940 . 3 2 104 104 ARG CA C 13 59.62 0.20 . 1 . . . . 104 ARG CA . 6683 1 941 . 3 2 104 104 ARG CB C 13 29.12 0.20 . 1 . . . . 104 ARG CB . 6683 1 942 . 3 2 104 104 ARG N N 15 122.18 0.30 . 1 . . . . 104 ARG N . 6683 1 943 . 3 2 105 105 LEU H H 1 8.39 0.03 . 1 . . . . 105 LEU H . 6683 1 944 . 3 2 105 105 LEU C C 13 180.75 0.20 . 1 . . . . 105 LEU C . 6683 1 945 . 3 2 105 105 LEU CA C 13 58.64 0.20 . 1 . . . . 105 LEU CA . 6683 1 946 . 3 2 105 105 LEU CB C 13 43.29 0.20 . 1 . . . . 105 LEU CB . 6683 1 947 . 3 2 105 105 LEU N N 15 121.33 0.30 . 1 . . . . 105 LEU N . 6683 1 948 . 3 2 106 106 LEU H H 1 9.66 0.03 . 1 . . . . 106 LEU H . 6683 1 949 . 3 2 106 106 LEU C C 13 179.90 0.20 . 1 . . . . 106 LEU C . 6683 1 950 . 3 2 106 106 LEU CA C 13 59.34 0.20 . 1 . . . . 106 LEU CA . 6683 1 951 . 3 2 106 106 LEU CB C 13 42.58 0.20 . 1 . . . . 106 LEU CB . 6683 1 952 . 3 2 106 106 LEU N N 15 119.81 0.30 . 1 . . . . 106 LEU N . 6683 1 953 . 3 2 107 107 GLY H H 1 8.99 0.03 . 1 . . . . 107 GLY H . 6683 1 954 . 3 2 107 107 GLY C C 13 175.70 0.20 . 1 . . . . 107 GLY C . 6683 1 955 . 3 2 107 107 GLY CA C 13 48.52 0.20 . 1 . . . . 107 GLY CA . 6683 1 956 . 3 2 107 107 GLY N N 15 108.06 0.30 . 1 . . . . 107 GLY N . 6683 1 957 . 3 2 108 108 ASN H H 1 8.13 0.03 . 1 . . . . 108 ASN H . 6683 1 958 . 3 2 108 108 ASN C C 13 179.85 0.20 . 1 . . . . 108 ASN C . 6683 1 959 . 3 2 108 108 ASN CA C 13 56.20 0.20 . 1 . . . . 108 ASN CA . 6683 1 960 . 3 2 108 108 ASN CB C 13 37.52 0.20 . 1 . . . . 108 ASN CB . 6683 1 961 . 3 2 108 108 ASN N N 15 121.33 0.30 . 1 . . . . 108 ASN N . 6683 1 962 . 3 2 109 109 VAL H H 1 9.06 0.03 . 1 . . . . 109 VAL H . 6683 1 963 . 3 2 109 109 VAL C C 13 179.02 0.20 . 1 . . . . 109 VAL C . 6683 1 964 . 3 2 109 109 VAL CA C 13 68.24 0.20 . 1 . . . . 109 VAL CA . 6683 1 965 . 3 2 109 109 VAL CB C 13 31.76 0.20 . 1 . . . . 109 VAL CB . 6683 1 966 . 3 2 109 109 VAL N N 15 123.30 0.30 . 1 . . . . 109 VAL N . 6683 1 967 . 3 2 110 110 LEU H H 1 10.03 0.03 . 1 . . . . 110 LEU H . 6683 1 968 . 3 2 110 110 LEU C C 13 178.79 0.20 . 1 . . . . 110 LEU C . 6683 1 969 . 3 2 110 110 LEU CA C 13 58.86 0.20 . 1 . . . . 110 LEU CA . 6683 1 970 . 3 2 110 110 LEU CB C 13 41.34 0.20 . 1 . . . . 110 LEU CB . 6683 1 971 . 3 2 110 110 LEU N N 15 123.01 0.30 . 1 . . . . 110 LEU N . 6683 1 972 . 3 2 111 111 VAL H H 1 8.33 0.03 . 1 . . . . 111 VAL H . 6683 1 973 . 3 2 111 111 VAL C C 13 177.66 0.20 . 1 . . . . 111 VAL C . 6683 1 974 . 3 2 111 111 VAL CA C 13 68.46 0.20 . 1 . . . . 111 VAL CA . 6683 1 975 . 3 2 111 111 VAL CB C 13 31.15 0.20 . 1 . . . . 111 VAL CB . 6683 1 976 . 3 2 111 111 VAL N N 15 119.72 0.30 . 1 . . . . 111 VAL N . 6683 1 977 . 3 2 112 112 CYS H H 1 7.92 0.03 . 1 . . . . 112 CYS H . 6683 1 978 . 3 2 112 112 CYS C C 13 176.94 0.20 . 1 . . . . 112 CYS C . 6683 1 979 . 3 2 112 112 CYS CA C 13 65.20 0.20 . 1 . . . . 112 CYS CA . 6683 1 980 . 3 2 112 112 CYS CB C 13 26.76 0.20 . 1 . . . . 112 CYS CB . 6683 1 981 . 3 2 112 112 CYS N N 15 117.90 0.30 . 1 . . . . 112 CYS N . 6683 1 982 . 3 2 113 113 VAL H H 1 8.77 0.03 . 1 . . . . 113 VAL H . 6683 1 983 . 3 2 113 113 VAL C C 13 178.30 0.20 . 1 . . . . 113 VAL C . 6683 1 984 . 3 2 113 113 VAL CA C 13 66.66 0.20 . 1 . . . . 113 VAL CA . 6683 1 985 . 3 2 113 113 VAL CB C 13 31.10 0.20 . 1 . . . . 113 VAL CB . 6683 1 986 . 3 2 113 113 VAL N N 15 121.72 0.30 . 1 . . . . 113 VAL N . 6683 1 987 . 3 2 114 114 LEU H H 1 8.62 0.03 . 1 . . . . 114 LEU H . 6683 1 988 . 3 2 114 114 LEU C C 13 178.90 0.20 . 1 . . . . 114 LEU C . 6683 1 989 . 3 2 114 114 LEU CA C 13 57.84 0.20 . 1 . . . . 114 LEU CA . 6683 1 990 . 3 2 114 114 LEU CB C 13 40.80 0.20 . 1 . . . . 114 LEU CB . 6683 1 991 . 3 2 114 114 LEU N N 15 122.18 0.30 . 1 . . . . 114 LEU N . 6683 1 992 . 3 2 115 115 ALA H H 1 7.38 0.03 . 1 . . . . 115 ALA H . 6683 1 993 . 3 2 115 115 ALA C C 13 178.64 0.20 . 1 . . . . 115 ALA C . 6683 1 994 . 3 2 115 115 ALA CA C 13 54.94 0.20 . 1 . . . . 115 ALA CA . 6683 1 995 . 3 2 115 115 ALA CB C 13 19.44 0.20 . 1 . . . . 115 ALA CB . 6683 1 996 . 3 2 115 115 ALA N N 15 122.86 0.30 . 1 . . . . 115 ALA N . 6683 1 997 . 3 2 116 116 HIS H H 1 8.00 0.03 . 1 . . . . 116 HIS H . 6683 1 998 . 3 2 116 116 HIS C C 13 178.56 0.20 . 1 . . . . 116 HIS C . 6683 1 999 . 3 2 116 116 HIS CA C 13 57.93 0.20 . 1 . . . . 116 HIS CA . 6683 1 1000 . 3 2 116 116 HIS CB C 13 30.86 0.20 . 1 . . . . 116 HIS CB . 6683 1 1001 . 3 2 116 116 HIS N N 15 118.05 0.30 . 1 . . . . 116 HIS N . 6683 1 1002 . 3 2 117 117 HIS H H 1 8.35 0.03 . 1 . . . . 117 HIS H . 6683 1 1003 . 3 2 117 117 HIS C C 13 177.32 0.20 . 1 . . . . 117 HIS C . 6683 1 1004 . 3 2 117 117 HIS CA C 13 58.73 0.20 . 1 . . . . 117 HIS CA . 6683 1 1005 . 3 2 117 117 HIS CB C 13 29.78 0.20 . 1 . . . . 117 HIS CB . 6683 1 1006 . 3 2 117 117 HIS N N 15 117.47 0.30 . 1 . . . . 117 HIS N . 6683 1 1007 . 3 2 118 118 PHE H H 1 8.33 0.03 . 1 . . . . 118 PHE H . 6683 1 1008 . 3 2 118 118 PHE C C 13 177.84 0.20 . 1 . . . . 118 PHE C . 6683 1 1009 . 3 2 118 118 PHE CA C 13 59.56 0.20 . 1 . . . . 118 PHE CA . 6683 1 1010 . 3 2 118 118 PHE CB C 13 39.21 0.20 . 1 . . . . 118 PHE CB . 6683 1 1011 . 3 2 118 118 PHE N N 15 115.33 0.30 . 1 . . . . 118 PHE N . 6683 1 1012 . 3 2 119 119 GLY H H 1 8.41 0.03 . 1 . . . . 119 GLY H . 6683 1 1013 . 3 2 119 119 GLY C C 13 176.43 0.20 . 1 . . . . 119 GLY C . 6683 1 1014 . 3 2 119 119 GLY CA C 13 47.69 0.20 . 1 . . . . 119 GLY CA . 6683 1 1015 . 3 2 119 119 GLY N N 15 114.92 0.30 . 1 . . . . 119 GLY N . 6683 1 1016 . 3 2 120 120 LYS H H 1 8.62 0.03 . 1 . . . . 120 LYS H . 6683 1 1017 . 3 2 120 120 LYS C C 13 178.36 0.20 . 1 . . . . 120 LYS C . 6683 1 1018 . 3 2 120 120 LYS CA C 13 57.99 0.20 . 1 . . . . 120 LYS CA . 6683 1 1019 . 3 2 120 120 LYS CB C 13 31.27 0.20 . 1 . . . . 120 LYS CB . 6683 1 1020 . 3 2 120 120 LYS N N 15 126.33 0.30 . 1 . . . . 120 LYS N . 6683 1 1021 . 3 2 121 121 GLU H H 1 7.69 0.03 . 1 . . . . 121 GLU H . 6683 1 1022 . 3 2 121 121 GLU C C 13 177.73 0.20 . 1 . . . . 121 GLU C . 6683 1 1023 . 3 2 121 121 GLU CA C 13 57.47 0.20 . 1 . . . . 121 GLU CA . 6683 1 1024 . 3 2 121 121 GLU CB C 13 29.69 0.20 . 1 . . . . 121 GLU CB . 6683 1 1025 . 3 2 121 121 GLU N N 15 117.93 0.30 . 1 . . . . 121 GLU N . 6683 1 1026 . 3 2 122 122 PHE H H 1 8.47 0.03 . 1 . . . . 122 PHE H . 6683 1 1027 . 3 2 122 122 PHE C C 13 174.83 0.20 . 1 . . . . 122 PHE C . 6683 1 1028 . 3 2 122 122 PHE CA C 13 56.55 0.20 . 1 . . . . 122 PHE CA . 6683 1 1029 . 3 2 122 122 PHE CB C 13 37.30 0.20 . 1 . . . . 122 PHE CB . 6683 1 1030 . 3 2 122 122 PHE N N 15 127.15 0.30 . 1 . . . . 122 PHE N . 6683 1 1031 . 3 2 123 123 THR H H 1 6.99 0.03 . 1 . . . . 123 THR H . 6683 1 1032 . 3 2 123 123 THR CA C 13 60.49 0.20 . 1 . . . . 123 THR CA . 6683 1 1033 . 3 2 123 123 THR CB C 13 66.98 0.20 . 1 . . . . 123 THR CB . 6683 1 1034 . 3 2 123 123 THR N N 15 114.46 0.30 . 1 . . . . 123 THR N . 6683 1 1035 . 3 2 125 125 PRO C C 13 180.30 0.20 . 1 . . . . 125 PRO C . 6683 1 1036 . 3 2 125 125 PRO CA C 13 65.88 0.20 . 1 . . . . 125 PRO CA . 6683 1 1037 . 3 2 125 125 PRO CB C 13 30.74 0.20 . 1 . . . . 125 PRO CB . 6683 1 1038 . 3 2 126 126 VAL H H 1 6.92 0.03 . 1 . . . . 126 VAL H . 6683 1 1039 . 3 2 126 126 VAL C C 13 178.35 0.20 . 1 . . . . 126 VAL C . 6683 1 1040 . 3 2 126 126 VAL CA C 13 66.73 0.20 . 1 . . . . 126 VAL CA . 6683 1 1041 . 3 2 126 126 VAL CB C 13 30.32 0.20 . 1 . . . . 126 VAL CB . 6683 1 1042 . 3 2 126 126 VAL N N 15 122.60 0.30 . 1 . . . . 126 VAL N . 6683 1 1043 . 3 2 127 127 GLN H H 1 8.32 0.03 . 1 . . . . 127 GLN H . 6683 1 1044 . 3 2 127 127 GLN C C 13 178.21 0.20 . 1 . . . . 127 GLN C . 6683 1 1045 . 3 2 127 127 GLN CA C 13 58.97 0.20 . 1 . . . . 127 GLN CA . 6683 1 1046 . 3 2 127 127 GLN CB C 13 25.26 0.20 . 1 . . . . 127 GLN CB . 6683 1 1047 . 3 2 127 127 GLN N N 15 120.85 0.30 . 1 . . . . 127 GLN N . 6683 1 1048 . 3 2 128 128 ALA H H 1 8.03 0.03 . 1 . . . . 128 ALA H . 6683 1 1049 . 3 2 128 128 ALA C C 13 180.28 0.20 . 1 . . . . 128 ALA C . 6683 1 1050 . 3 2 128 128 ALA CA C 13 55.55 0.20 . 1 . . . . 128 ALA CA . 6683 1 1051 . 3 2 128 128 ALA CB C 13 17.25 0.20 . 1 . . . . 128 ALA CB . 6683 1 1052 . 3 2 128 128 ALA N N 15 122.78 0.30 . 1 . . . . 128 ALA N . 6683 1 1053 . 3 2 129 129 ALA H H 1 7.35 0.03 . 1 . . . . 129 ALA H . 6683 1 1054 . 3 2 129 129 ALA C C 13 179.98 0.20 . 1 . . . . 129 ALA C . 6683 1 1055 . 3 2 129 129 ALA CA C 13 55.25 0.20 . 1 . . . . 129 ALA CA . 6683 1 1056 . 3 2 129 129 ALA CB C 13 17.66 0.20 . 1 . . . . 129 ALA CB . 6683 1 1057 . 3 2 129 129 ALA N N 15 121.14 0.30 . 1 . . . . 129 ALA N . 6683 1 1058 . 3 2 130 130 TYR H H 1 8.34 0.03 . 1 . . . . 130 TYR H . 6683 1 1059 . 3 2 130 130 TYR C C 13 179.59 0.20 . 1 . . . . 130 TYR C . 6683 1 1060 . 3 2 130 130 TYR CA C 13 64.70 0.20 . 1 . . . . 130 TYR CA . 6683 1 1061 . 3 2 130 130 TYR CB C 13 38.60 0.20 . 1 . . . . 130 TYR CB . 6683 1 1062 . 3 2 130 130 TYR N N 15 117.16 0.30 . 1 . . . . 130 TYR N . 6683 1 1063 . 3 2 131 131 GLN H H 1 9.60 0.03 . 1 . . . . 131 GLN H . 6683 1 1064 . 3 2 131 131 GLN C C 13 180.01 0.20 . 1 . . . . 131 GLN C . 6683 1 1065 . 3 2 131 131 GLN CA C 13 58.71 0.20 . 1 . . . . 131 GLN CA . 6683 1 1066 . 3 2 131 131 GLN CB C 13 25.78 0.20 . 1 . . . . 131 GLN CB . 6683 1 1067 . 3 2 131 131 GLN N N 15 121.43 0.30 . 1 . . . . 131 GLN N . 6683 1 1068 . 3 2 132 132 LYS H H 1 7.64 0.03 . 1 . . . . 132 LYS H . 6683 1 1069 . 3 2 132 132 LYS C C 13 180.41 0.20 . 1 . . . . 132 LYS C . 6683 1 1070 . 3 2 132 132 LYS CA C 13 60.28 0.20 . 1 . . . . 132 LYS CA . 6683 1 1071 . 3 2 132 132 LYS N N 15 121.93 0.30 . 1 . . . . 132 LYS N . 6683 1 1072 . 3 2 133 133 VAL H H 1 7.82 0.03 . 1 . . . . 133 VAL H . 6683 1 1073 . 3 2 133 133 VAL C C 13 178.40 0.20 . 1 . . . . 133 VAL C . 6683 1 1074 . 3 2 133 133 VAL CA C 13 67.55 0.20 . 1 . . . . 133 VAL CA . 6683 1 1075 . 3 2 133 133 VAL CB C 13 31.09 0.20 . 1 . . . . 133 VAL CB . 6683 1 1076 . 3 2 133 133 VAL N N 15 120.94 0.30 . 1 . . . . 133 VAL N . 6683 1 1077 . 3 2 134 134 VAL H H 1 9.25 0.03 . 1 . . . . 134 VAL H . 6683 1 1078 . 3 2 134 134 VAL C C 13 179.91 0.20 . 1 . . . . 134 VAL C . 6683 1 1079 . 3 2 134 134 VAL CA C 13 66.60 0.20 . 1 . . . . 134 VAL CA . 6683 1 1080 . 3 2 134 134 VAL CB C 13 30.73 0.20 . 1 . . . . 134 VAL CB . 6683 1 1081 . 3 2 134 134 VAL N N 15 115.12 0.30 . 1 . . . . 134 VAL N . 6683 1 1082 . 3 2 135 135 ALA H H 1 7.92 0.03 . 1 . . . . 135 ALA H . 6683 1 1083 . 3 2 135 135 ALA C C 13 180.36 0.20 . 1 . . . . 135 ALA C . 6683 1 1084 . 3 2 135 135 ALA CA C 13 55.07 0.20 . 1 . . . . 135 ALA CA . 6683 1 1085 . 3 2 135 135 ALA CB C 13 17.88 0.20 . 1 . . . . 135 ALA CB . 6683 1 1086 . 3 2 135 135 ALA N N 15 126.10 0.30 . 1 . . . . 135 ALA N . 6683 1 1087 . 3 2 136 136 GLY H H 1 8.16 0.03 . 1 . . . . 136 GLY H . 6683 1 1088 . 3 2 136 136 GLY C C 13 177.55 0.20 . 1 . . . . 136 GLY C . 6683 1 1089 . 3 2 136 136 GLY CA C 13 46.89 0.20 . 1 . . . . 136 GLY CA . 6683 1 1090 . 3 2 136 136 GLY N N 15 108.66 0.30 . 1 . . . . 136 GLY N . 6683 1 1091 . 3 2 137 137 VAL H H 1 8.75 0.03 . 1 . . . . 137 VAL H . 6683 1 1092 . 3 2 137 137 VAL C C 13 176.74 0.20 . 1 . . . . 137 VAL C . 6683 1 1093 . 3 2 137 137 VAL CA C 13 66.94 0.20 . 1 . . . . 137 VAL CA . 6683 1 1094 . 3 2 137 137 VAL CB C 13 30.74 0.20 . 1 . . . . 137 VAL CB . 6683 1 1095 . 3 2 137 137 VAL N N 15 125.72 0.30 . 1 . . . . 137 VAL N . 6683 1 1096 . 3 2 138 138 ALA H H 1 7.92 0.03 . 1 . . . . 138 ALA H . 6683 1 1097 . 3 2 138 138 ALA C C 13 179.33 0.20 . 1 . . . . 138 ALA C . 6683 1 1098 . 3 2 138 138 ALA CA C 13 55.55 0.20 . 1 . . . . 138 ALA CA . 6683 1 1099 . 3 2 138 138 ALA CB C 13 17.42 0.20 . 1 . . . . 138 ALA CB . 6683 1 1100 . 3 2 138 138 ALA N N 15 122.43 0.30 . 1 . . . . 138 ALA N . 6683 1 1101 . 3 2 139 139 ASN H H 1 8.16 0.03 . 1 . . . . 139 ASN H . 6683 1 1102 . 3 2 139 139 ASN C C 13 178.60 0.20 . 1 . . . . 139 ASN C . 6683 1 1103 . 3 2 139 139 ASN CA C 13 55.60 0.20 . 1 . . . . 139 ASN CA . 6683 1 1104 . 3 2 139 139 ASN CB C 13 37.91 0.20 . 1 . . . . 139 ASN CB . 6683 1 1105 . 3 2 139 139 ASN N N 15 115.97 0.30 . 1 . . . . 139 ASN N . 6683 1 1106 . 3 2 140 140 ALA H H 1 7.77 0.03 . 1 . . . . 140 ALA H . 6683 1 1107 . 3 2 140 140 ALA C C 13 180.66 0.20 . 1 . . . . 140 ALA C . 6683 1 1108 . 3 2 140 140 ALA CA C 13 54.48 0.20 . 1 . . . . 140 ALA CA . 6683 1 1109 . 3 2 140 140 ALA CB C 13 17.86 0.20 . 1 . . . . 140 ALA CB . 6683 1 1110 . 3 2 140 140 ALA N N 15 124.34 0.30 . 1 . . . . 140 ALA N . 6683 1 1111 . 3 2 141 141 LEU H H 1 7.71 0.03 . 1 . . . . 141 LEU H . 6683 1 1112 . 3 2 141 141 LEU C C 13 178.74 0.20 . 1 . . . . 141 LEU C . 6683 1 1113 . 3 2 141 141 LEU CA C 13 55.71 0.20 . 1 . . . . 141 LEU CA . 6683 1 1114 . 3 2 141 141 LEU N N 15 120.82 0.30 . 1 . . . . 141 LEU N . 6683 1 1115 . 3 2 142 142 ALA H H 1 7.29 0.03 . 1 . . . . 142 ALA H . 6683 1 1116 . 3 2 142 142 ALA C C 13 180.65 0.20 . 1 . . . . 142 ALA C . 6683 1 1117 . 3 2 142 142 ALA CA C 13 51.90 0.20 . 1 . . . . 142 ALA CA . 6683 1 1118 . 3 2 142 142 ALA CB C 13 18.90 0.20 . 1 . . . . 142 ALA CB . 6683 1 1119 . 3 2 142 142 ALA N N 15 121.68 0.30 . 1 . . . . 142 ALA N . 6683 1 1120 . 3 2 143 143 HIS H H 1 7.12 0.03 . 1 . . . . 143 HIS H . 6683 1 1121 . 3 2 143 143 HIS C C 13 176.79 0.20 . 1 . . . . 143 HIS C . 6683 1 1122 . 3 2 143 143 HIS CA C 13 60.98 0.20 . 1 . . . . 143 HIS CA . 6683 1 1123 . 3 2 143 143 HIS CB C 13 29.45 0.20 . 1 . . . . 143 HIS CB . 6683 1 1124 . 3 2 143 143 HIS N N 15 120.13 0.30 . 1 . . . . 143 HIS N . 6683 1 1125 . 3 2 144 144 LYS H H 1 7.93 0.03 . 1 . . . . 144 LYS H . 6683 1 1126 . 3 2 144 144 LYS C C 13 176.79 0.20 . 1 . . . . 144 LYS C . 6683 1 1127 . 3 2 144 144 LYS CA C 13 53.54 0.20 . 1 . . . . 144 LYS CA . 6683 1 1128 . 3 2 144 144 LYS CB C 13 28.60 0.20 . 1 . . . . 144 LYS CB . 6683 1 1129 . 3 2 144 144 LYS N N 15 115.75 0.30 . 1 . . . . 144 LYS N . 6683 1 1130 . 3 2 145 145 TYR H H 1 7.30 0.03 . 1 . . . . 145 TYR H . 6683 1 1131 . 3 2 145 145 TYR C C 13 175.77 0.20 . 1 . . . . 145 TYR C . 6683 1 1132 . 3 2 145 145 TYR CA C 13 60.20 0.20 . 1 . . . . 145 TYR CA . 6683 1 1133 . 3 2 145 145 TYR CB C 13 37.29 0.20 . 1 . . . . 145 TYR CB . 6683 1 1134 . 3 2 145 145 TYR N N 15 121.54 0.30 . 1 . . . . 145 TYR N . 6683 1 1135 . 3 2 146 146 HIS H H 1 7.17 0.03 . 1 . . . . 146 HIS H . 6683 1 1136 . 3 2 146 146 HIS CA C 13 55.35 0.20 . 1 . . . . 146 HIS CA . 6683 1 1137 . 3 2 146 146 HIS CB C 13 30.49 0.20 . 1 . . . . 146 HIS CB . 6683 1 1138 . 3 2 146 146 HIS N N 15 122.98 0.30 . 1 . . . . 146 HIS N . 6683 1 stop_ save_