################################### # 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4707 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $free_proteins . 4707 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 2 2 SER C C 13 174.1 0.1 . 1 . . . . . . . . 4707 1 2 . 1 1 2 2 SER CA C 13 57.8 0.1 . 1 . . . . . . . . 4707 1 3 . 1 1 2 2 SER CB C 13 63.3 0.1 . 1 . . . . . . . . 4707 1 4 . 1 1 3 3 GLU H H 1 8.63 0.03 . 1 . . . . . . . . 4707 1 5 . 1 1 3 3 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4707 1 6 . 1 1 3 3 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 4707 1 7 . 1 1 3 3 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 4707 1 8 . 1 1 3 3 GLU N N 15 123.6 0.1 . 1 . . . . . . . . 4707 1 9 . 1 1 4 4 LYS H H 1 8.51 0.03 . 1 . . . . . . . . 4707 1 10 . 1 1 4 4 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 4707 1 11 . 1 1 4 4 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 4707 1 12 . 1 1 4 4 LYS CB C 13 32.6 0.1 . 1 . . . . . . . . 4707 1 13 . 1 1 4 4 LYS N N 15 123.9 0.1 . 1 . . . . . . . . 4707 1 14 . 1 1 5 5 ARG H H 1 8.42 0.03 . 1 . . . . . . . . 4707 1 15 . 1 1 5 5 ARG C C 13 174.3 0.1 . 1 . . . . . . . . 4707 1 16 . 1 1 5 5 ARG CA C 13 52.9 0.1 . 1 . . . . . . . . 4707 1 17 . 1 1 5 5 ARG CB C 13 30.5 0.1 . 1 . . . . . . . . 4707 1 18 . 1 1 5 5 ARG N N 15 122.6 0.1 . 1 . . . . . . . . 4707 1 19 . 1 1 6 6 PRO C C 13 176.2 0.1 . 1 . . . . . . . . 4707 1 20 . 1 1 6 6 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 4707 1 21 . 1 1 6 6 PRO CB C 13 31.8 0.1 . 1 . . . . . . . . 4707 1 22 . 1 1 7 7 PHE H H 1 7.94 0.03 . 1 . . . . . . . . 4707 1 23 . 1 1 7 7 PHE C C 13 174.4 0.1 . 1 . . . . . . . . 4707 1 24 . 1 1 7 7 PHE CA C 13 57.0 0.1 . 1 . . . . . . . . 4707 1 25 . 1 1 7 7 PHE CB C 13 38.9 0.1 . 1 . . . . . . . . 4707 1 26 . 1 1 7 7 PHE N N 15 117.5 0.1 . 1 . . . . . . . . 4707 1 27 . 1 1 8 8 MET H H 1 8.78 0.03 . 1 . . . . . . . . 4707 1 28 . 1 1 8 8 MET C C 13 174.4 0.1 . 1 . . . . . . . . 4707 1 29 . 1 1 8 8 MET CA C 13 53.8 0.1 . 1 . . . . . . . . 4707 1 30 . 1 1 8 8 MET CB C 13 34.8 0.1 . 1 . . . . . . . . 4707 1 31 . 1 1 8 8 MET N N 15 124.3 0.1 . 1 . . . . . . . . 4707 1 32 . 1 1 9 9 CYS H H 1 8.74 0.03 . 1 . . . . . . . . 4707 1 33 . 1 1 9 9 CYS C C 13 175.5 0.1 . 1 . . . . . . . . 4707 1 34 . 1 1 9 9 CYS CA C 13 60.8 0.1 . 1 . . . . . . . . 4707 1 35 . 1 1 9 9 CYS CB C 13 29.6 0.1 . 1 . . . . . . . . 4707 1 36 . 1 1 9 9 CYS N N 15 127.6 0.1 . 1 . . . . . . . . 4707 1 37 . 1 1 10 10 ALA H H 1 8.90 0.03 . 1 . . . . . . . . 4707 1 38 . 1 1 10 10 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 4707 1 39 . 1 1 10 10 ALA CA C 13 51.5 0.1 . 1 . . . . . . . . 4707 1 40 . 1 1 10 10 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . 4707 1 41 . 1 1 10 10 ALA N N 15 132.0 0.1 . 1 . . . . . . . . 4707 1 42 . 1 1 11 11 TYR H H 1 9.19 0.03 . 1 . . . . . . . . 4707 1 43 . 1 1 11 11 TYR C C 13 174.6 0.1 . 1 . . . . . . . . 4707 1 44 . 1 1 11 11 TYR CA C 13 57.9 0.1 . 1 . . . . . . . . 4707 1 45 . 1 1 11 11 TYR CB C 13 38.8 0.1 . 1 . . . . . . . . 4707 1 46 . 1 1 11 11 TYR N N 15 128.8 0.1 . 1 . . . . . . . . 4707 1 47 . 1 1 12 12 PRO C C 13 177.5 0.1 . 1 . . . . . . . . 4707 1 48 . 1 1 12 12 PRO CA C 13 63.8 0.1 . 1 . . . . . . . . 4707 1 49 . 1 1 12 12 PRO CB C 13 30.8 0.1 . 1 . . . . . . . . 4707 1 50 . 1 1 13 13 GLY H H 1 8.89 0.03 . 1 . . . . . . . . 4707 1 51 . 1 1 13 13 GLY C C 13 173.4 0.1 . 1 . . . . . . . . 4707 1 52 . 1 1 13 13 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 4707 1 53 . 1 1 13 13 GLY N N 15 112.9 0.1 . 1 . . . . . . . . 4707 1 54 . 1 1 14 14 CYS H H 1 8.09 0.03 . 1 . . . . . . . . 4707 1 55 . 1 1 14 14 CYS C C 13 175.4 0.1 . 1 . . . . . . . . 4707 1 56 . 1 1 14 14 CYS CA C 13 60.7 0.1 . 1 . . . . . . . . 4707 1 57 . 1 1 14 14 CYS CB C 13 29.9 0.1 . 1 . . . . . . . . 4707 1 58 . 1 1 14 14 CYS N N 15 123.4 0.1 . 1 . . . . . . . . 4707 1 59 . 1 1 15 15 ASN H H 1 8.76 0.03 . 1 . . . . . . . . 4707 1 60 . 1 1 15 15 ASN C C 13 175.0 0.1 . 1 . . . . . . . . 4707 1 61 . 1 1 15 15 ASN CA C 13 53.1 0.1 . 1 . . . . . . . . 4707 1 62 . 1 1 15 15 ASN CB C 13 37.9 0.1 . 1 . . . . . . . . 4707 1 63 . 1 1 15 15 ASN N N 15 115.7 0.1 . 1 . . . . . . . . 4707 1 64 . 1 1 16 16 LYS H H 1 8.12 0.03 . 1 . . . . . . . . 4707 1 65 . 1 1 16 16 LYS C C 13 175.3 0.1 . 1 . . . . . . . . 4707 1 66 . 1 1 16 16 LYS CA C 13 57.1 0.1 . 1 . . . . . . . . 4707 1 67 . 1 1 16 16 LYS CB C 13 32.4 0.1 . 1 . . . . . . . . 4707 1 68 . 1 1 16 16 LYS N N 15 121.6 0.1 . 1 . . . . . . . . 4707 1 69 . 1 1 17 17 ARG H H 1 7.73 0.03 . 1 . . . . . . . . 4707 1 70 . 1 1 17 17 ARG C C 13 174.7 0.1 . 1 . . . . . . . . 4707 1 71 . 1 1 17 17 ARG CA C 13 53.8 0.1 . 1 . . . . . . . . 4707 1 72 . 1 1 17 17 ARG CB C 13 33.6 0.1 . 1 . . . . . . . . 4707 1 73 . 1 1 17 17 ARG N N 15 118.1 0.1 . 1 . . . . . . . . 4707 1 74 . 1 1 18 18 TYR H H 1 8.76 0.03 . 1 . . . . . . . . 4707 1 75 . 1 1 18 18 TYR C C 13 175.1 0.1 . 1 . . . . . . . . 4707 1 76 . 1 1 18 18 TYR CA C 13 57.4 0.1 . 1 . . . . . . . . 4707 1 77 . 1 1 18 18 TYR CB C 13 43.7 0.1 . 1 . . . . . . . . 4707 1 78 . 1 1 18 18 TYR N N 15 117.5 0.1 . 1 . . . . . . . . 4707 1 79 . 1 1 19 19 PHE H H 1 9.81 0.03 . 1 . . . . . . . . 4707 1 80 . 1 1 19 19 PHE C C 13 175.5 0.1 . 1 . . . . . . . . 4707 1 81 . 1 1 19 19 PHE CA C 13 59.9 0.1 . 1 . . . . . . . . 4707 1 82 . 1 1 19 19 PHE CB C 13 39.9 0.1 . 1 . . . . . . . . 4707 1 83 . 1 1 19 19 PHE N N 15 118.9 0.1 . 1 . . . . . . . . 4707 1 84 . 1 1 20 20 LYS H H 1 7.27 0.03 . 1 . . . . . . . . 4707 1 85 . 1 1 20 20 LYS C C 13 175.9 0.1 . 1 . . . . . . . . 4707 1 86 . 1 1 20 20 LYS CA C 13 53.8 0.1 . 1 . . . . . . . . 4707 1 87 . 1 1 20 20 LYS CB C 13 34.9 0.1 . 1 . . . . . . . . 4707 1 88 . 1 1 20 20 LYS N N 15 115.0 0.1 . 1 . . . . . . . . 4707 1 89 . 1 1 21 21 LEU H H 1 8.40 0.03 . 1 . . . . . . . . 4707 1 90 . 1 1 21 21 LEU C C 13 178.7 0.1 . 1 . . . . . . . . 4707 1 91 . 1 1 21 21 LEU CA C 13 57.1 0.1 . 1 . . . . . . . . 4707 1 92 . 1 1 21 21 LEU CB C 13 40.1 0.1 . 1 . . . . . . . . 4707 1 93 . 1 1 21 21 LEU N N 15 127.8 0.1 . 1 . . . . . . . . 4707 1 94 . 1 1 22 22 SER H H 1 8.56 0.03 . 1 . . . . . . . . 4707 1 95 . 1 1 22 22 SER C C 13 177.3 0.1 . 1 . . . . . . . . 4707 1 96 . 1 1 22 22 SER CA C 13 60.4 0.1 . 1 . . . . . . . . 4707 1 97 . 1 1 22 22 SER CB C 13 61.0 0.1 . 1 . . . . . . . . 4707 1 98 . 1 1 22 22 SER N N 15 113.3 0.1 . 1 . . . . . . . . 4707 1 99 . 1 1 23 23 HIS H H 1 6.67 0.03 . 1 . . . . . . . . 4707 1 100 . 1 1 23 23 HIS C C 13 178.2 0.1 . 1 . . . . . . . . 4707 1 101 . 1 1 23 23 HIS CA C 13 56.4 0.1 . 1 . . . . . . . . 4707 1 102 . 1 1 23 23 HIS CB C 13 31.1 0.1 . 1 . . . . . . . . 4707 1 103 . 1 1 23 23 HIS N N 15 121.2 0.1 . 1 . . . . . . . . 4707 1 104 . 1 1 24 24 LEU H H 1 7.17 0.03 . 1 . . . . . . . . 4707 1 105 . 1 1 24 24 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 4707 1 106 . 1 1 24 24 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 4707 1 107 . 1 1 24 24 LEU CB C 13 39.9 0.1 . 1 . . . . . . . . 4707 1 108 . 1 1 24 24 LEU N N 15 121.8 0.1 . 1 . . . . . . . . 4707 1 109 . 1 1 25 25 GLN H H 1 8.67 0.03 . 1 . . . . . . . . 4707 1 110 . 1 1 25 25 GLN C C 13 179.3 0.1 . 1 . . . . . . . . 4707 1 111 . 1 1 25 25 GLN CA C 13 58.7 0.1 . 1 . . . . . . . . 4707 1 112 . 1 1 25 25 GLN CB C 13 27.4 0.1 . 1 . . . . . . . . 4707 1 113 . 1 1 25 25 GLN N N 15 119.2 0.1 . 1 . . . . . . . . 4707 1 114 . 1 1 26 26 MET H H 1 7.74 0.03 . 1 . . . . . . . . 4707 1 115 . 1 1 26 26 MET C C 13 178.5 0.1 . 1 . . . . . . . . 4707 1 116 . 1 1 26 26 MET CA C 13 57.9 0.1 . 1 . . . . . . . . 4707 1 117 . 1 1 26 26 MET CB C 13 31.9 0.1 . 1 . . . . . . . . 4707 1 118 . 1 1 26 26 MET N N 15 117.8 0.1 . 1 . . . . . . . . 4707 1 119 . 1 1 27 27 HIS H H 1 7.62 0.03 . 1 . . . . . . . . 4707 1 120 . 1 1 27 27 HIS C C 13 177.1 0.1 . 1 . . . . . . . . 4707 1 121 . 1 1 27 27 HIS CA C 13 58.7 0.1 . 1 . . . . . . . . 4707 1 122 . 1 1 27 27 HIS CB C 13 27.6 0.1 . 1 . . . . . . . . 4707 1 123 . 1 1 27 27 HIS N N 15 119.7 0.1 . 1 . . . . . . . . 4707 1 124 . 1 1 28 28 SER H H 1 8.85 0.03 . 1 . . . . . . . . 4707 1 125 . 1 1 28 28 SER C C 13 176.0 0.1 . 1 . . . . . . . . 4707 1 126 . 1 1 28 28 SER CA C 13 61.7 0.1 . 1 . . . . . . . . 4707 1 127 . 1 1 28 28 SER CB C 13 62.8 0.1 . 1 . . . . . . . . 4707 1 128 . 1 1 28 28 SER N N 15 113.8 0.1 . 1 . . . . . . . . 4707 1 129 . 1 1 29 29 ARG H H 1 7.12 0.03 . 1 . . . . . . . . 4707 1 130 . 1 1 29 29 ARG C C 13 177.8 0.1 . 1 . . . . . . . . 4707 1 131 . 1 1 29 29 ARG CA C 13 57.4 0.1 . 1 . . . . . . . . 4707 1 132 . 1 1 29 29 ARG CB C 13 29.5 0.1 . 1 . . . . . . . . 4707 1 133 . 1 1 29 29 ARG N N 15 119.6 0.1 . 1 . . . . . . . . 4707 1 134 . 1 1 30 30 LYS H H 1 7.80 0.03 . 1 . . . . . . . . 4707 1 135 . 1 1 30 30 LYS C C 13 177.8 0.1 . 1 . . . . . . . . 4707 1 136 . 1 1 30 30 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 4707 1 137 . 1 1 30 30 LYS CB C 13 31.1 0.1 . 1 . . . . . . . . 4707 1 138 . 1 1 30 30 LYS N N 15 117.3 0.1 . 1 . . . . . . . . 4707 1 139 . 1 1 31 31 HIS H H 1 7.02 0.03 . 1 . . . . . . . . 4707 1 140 . 1 1 31 31 HIS C C 13 175.2 0.1 . 1 . . . . . . . . 4707 1 141 . 1 1 31 31 HIS CA C 13 54.2 0.1 . 1 . . . . . . . . 4707 1 142 . 1 1 31 31 HIS CB C 13 27.4 0.1 . 1 . . . . . . . . 4707 1 143 . 1 1 31 31 HIS N N 15 115.6 0.1 . 1 . . . . . . . . 4707 1 144 . 1 1 32 32 THR H H 1 7.59 0.03 . 1 . . . . . . . . 4707 1 145 . 1 1 32 32 THR C C 13 174.7 0.1 . 1 . . . . . . . . 4707 1 146 . 1 1 32 32 THR CA C 13 61.6 0.1 . 1 . . . . . . . . 4707 1 147 . 1 1 32 32 THR CB C 13 69.3 0.1 . 1 . . . . . . . . 4707 1 148 . 1 1 32 32 THR N N 15 113.1 0.1 . 1 . . . . . . . . 4707 1 149 . 1 1 33 33 GLY H H 1 8.29 0.03 . 1 . . . . . . . . 4707 1 150 . 1 1 33 33 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 4707 1 151 . 1 1 33 33 GLY CA C 13 44.7 0.1 . 1 . . . . . . . . 4707 1 152 . 1 1 33 33 GLY N N 15 110.3 0.1 . 1 . . . . . . . . 4707 1 153 . 1 1 34 34 GLU H H 1 8.19 0.03 . 1 . . . . . . . . 4707 1 154 . 1 1 34 34 GLU C C 13 176.7 0.1 . 1 . . . . . . . . 4707 1 155 . 1 1 34 34 GLU CA C 13 56.6 0.1 . 1 . . . . . . . . 4707 1 156 . 1 1 34 34 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 4707 1 157 . 1 1 34 34 GLU N N 15 119.6 0.1 . 1 . . . . . . . . 4707 1 158 . 1 1 35 35 LYS H H 1 8.45 0.03 . 1 . . . . . . . . 4707 1 159 . 1 1 35 35 LYS C C 13 174.0 0.1 . 1 . . . . . . . . 4707 1 160 . 1 1 35 35 LYS CA C 13 53.5 0.1 . 1 . . . . . . . . 4707 1 161 . 1 1 35 35 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 4707 1 162 . 1 1 35 35 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 4707 1 163 . 1 1 36 36 PRO C C 13 176.1 0.1 . 1 . . . . . . . . 4707 1 164 . 1 1 36 36 PRO CA C 13 63.4 0.1 . 1 . . . . . . . . 4707 1 165 . 1 1 36 36 PRO CB C 13 31.9 0.1 . 1 . . . . . . . . 4707 1 166 . 1 1 37 37 TYR H H 1 7.86 0.03 . 1 . . . . . . . . 4707 1 167 . 1 1 37 37 TYR C C 13 174.4 0.1 . 1 . . . . . . . . 4707 1 168 . 1 1 37 37 TYR CA C 13 57.4 0.1 . 1 . . . . . . . . 4707 1 169 . 1 1 37 37 TYR CB C 13 37.9 0.1 . 1 . . . . . . . . 4707 1 170 . 1 1 37 37 TYR N N 15 118.4 0.1 . 1 . . . . . . . . 4707 1 171 . 1 1 38 38 GLN H H 1 8.87 0.03 . 1 . . . . . . . . 4707 1 172 . 1 1 38 38 GLN C C 13 174.0 0.1 . 1 . . . . . . . . 4707 1 173 . 1 1 38 38 GLN CA C 13 53.9 0.1 . 1 . . . . . . . . 4707 1 174 . 1 1 38 38 GLN CB C 13 31.1 0.1 . 1 . . . . . . . . 4707 1 175 . 1 1 38 38 GLN N N 15 124.8 0.1 . 1 . . . . . . . . 4707 1 176 . 1 1 39 39 CYS H H 1 8.88 0.03 . 1 . . . . . . . . 4707 1 177 . 1 1 39 39 CYS C C 13 174.8 0.1 . 1 . . . . . . . . 4707 1 178 . 1 1 39 39 CYS CA C 13 61.4 0.1 . 1 . . . . . . . . 4707 1 179 . 1 1 39 39 CYS CB C 13 30.0 0.1 . 1 . . . . . . . . 4707 1 180 . 1 1 39 39 CYS N N 15 128.5 0.1 . 1 . . . . . . . . 4707 1 181 . 1 1 40 40 ASP H H 1 8.48 0.03 . 1 . . . . . . . . 4707 1 182 . 1 1 40 40 ASP C C 13 176.2 0.1 . 1 . . . . . . . . 4707 1 183 . 1 1 40 40 ASP CA C 13 53.1 0.1 . 1 . . . . . . . . 4707 1 184 . 1 1 40 40 ASP CB C 13 40.3 0.1 . 1 . . . . . . . . 4707 1 185 . 1 1 40 40 ASP N N 15 127.0 0.1 . 1 . . . . . . . . 4707 1 186 . 1 1 41 41 PHE H H 1 9.08 0.03 . 1 . . . . . . . . 4707 1 187 . 1 1 41 41 PHE C C 13 175.7 0.1 . 1 . . . . . . . . 4707 1 188 . 1 1 41 41 PHE CA C 13 59.1 0.1 . 1 . . . . . . . . 4707 1 189 . 1 1 41 41 PHE CB C 13 39.2 0.1 . 1 . . . . . . . . 4707 1 190 . 1 1 41 41 PHE N N 15 126.7 0.1 . 1 . . . . . . . . 4707 1 191 . 1 1 42 42 LYS H H 1 7.93 0.03 . 1 . . . . . . . . 4707 1 192 . 1 1 42 42 LYS C C 13 176.1 0.1 . 1 . . . . . . . . 4707 1 193 . 1 1 42 42 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 4707 1 194 . 1 1 42 42 LYS CB C 13 31.3 0.1 . 1 . . . . . . . . 4707 1 195 . 1 1 42 42 LYS N N 15 127.8 0.1 . 1 . . . . . . . . 4707 1 196 . 1 1 43 43 ASP H H 1 8.81 0.03 . 1 . . . . . . . . 4707 1 197 . 1 1 43 43 ASP C C 13 174.4 0.1 . 1 . . . . . . . . 4707 1 198 . 1 1 43 43 ASP CA C 13 55.4 0.1 . 1 . . . . . . . . 4707 1 199 . 1 1 43 43 ASP CB C 13 39.0 0.1 . 1 . . . . . . . . 4707 1 200 . 1 1 43 43 ASP N N 15 120.1 0.1 . 1 . . . . . . . . 4707 1 201 . 1 1 44 44 CYS H H 1 8.30 0.03 . 1 . . . . . . . . 4707 1 202 . 1 1 44 44 CYS C C 13 175.1 0.1 . 1 . . . . . . . . 4707 1 203 . 1 1 44 44 CYS CA C 13 60.8 0.1 . 1 . . . . . . . . 4707 1 204 . 1 1 44 44 CYS CB C 13 30.0 0.1 . 1 . . . . . . . . 4707 1 205 . 1 1 44 44 CYS N N 15 123.1 0.1 . 1 . . . . . . . . 4707 1 206 . 1 1 45 45 GLU H H 1 8.66 0.03 . 1 . . . . . . . . 4707 1 207 . 1 1 45 45 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 4707 1 208 . 1 1 45 45 GLU CA C 13 55.5 0.1 . 1 . . . . . . . . 4707 1 209 . 1 1 45 45 GLU CB C 13 28.0 0.1 . 1 . . . . . . . . 4707 1 210 . 1 1 45 45 GLU N N 15 118.6 0.1 . 1 . . . . . . . . 4707 1 211 . 1 1 46 46 ARG H H 1 8.24 0.03 . 1 . . . . . . . . 4707 1 212 . 1 1 46 46 ARG C C 13 174.7 0.1 . 1 . . . . . . . . 4707 1 213 . 1 1 46 46 ARG CA C 13 56.5 0.1 . 1 . . . . . . . . 4707 1 214 . 1 1 46 46 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 4707 1 215 . 1 1 46 46 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 4707 1 216 . 1 1 47 47 ARG H H 1 7.76 0.03 . 1 . . . . . . . . 4707 1 217 . 1 1 47 47 ARG C C 13 174.9 0.1 . 1 . . . . . . . . 4707 1 218 . 1 1 47 47 ARG CA C 13 53.9 0.1 . 1 . . . . . . . . 4707 1 219 . 1 1 47 47 ARG CB C 13 33.3 0.1 . 1 . . . . . . . . 4707 1 220 . 1 1 47 47 ARG N N 15 118.2 0.1 . 1 . . . . . . . . 4707 1 221 . 1 1 48 48 PHE H H 1 8.82 0.03 . 1 . . . . . . . . 4707 1 222 . 1 1 48 48 PHE C C 13 175.2 0.1 . 1 . . . . . . . . 4707 1 223 . 1 1 48 48 PHE CA C 13 56.7 0.1 . 1 . . . . . . . . 4707 1 224 . 1 1 48 48 PHE CB C 13 43.6 0.1 . 1 . . . . . . . . 4707 1 225 . 1 1 48 48 PHE N N 15 115.9 0.1 . 1 . . . . . . . . 4707 1 226 . 1 1 49 49 SER H H 1 9.24 0.03 . 1 . . . . . . . . 4707 1 227 . 1 1 49 49 SER C C 13 173.9 0.1 . 1 . . . . . . . . 4707 1 228 . 1 1 49 49 SER CA C 13 60.8 0.1 . 1 . . . . . . . . 4707 1 229 . 1 1 49 49 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 4707 1 230 . 1 1 49 49 SER N N 15 117.1 0.1 . 1 . . . . . . . . 4707 1 231 . 1 1 50 50 ARG H H 1 7.70 0.03 . 1 . . . . . . . . 4707 1 232 . 1 1 50 50 ARG C C 13 176.7 0.1 . 1 . . . . . . . . 4707 1 233 . 1 1 50 50 ARG CA C 13 53.8 0.1 . 1 . . . . . . . . 4707 1 234 . 1 1 50 50 ARG CB C 13 35.1 0.1 . 1 . . . . . . . . 4707 1 235 . 1 1 50 50 ARG N N 15 116.4 0.1 . 1 . . . . . . . . 4707 1 236 . 1 1 51 51 SER H H 1 8.53 0.03 . 1 . . . . . . . . 4707 1 237 . 1 1 51 51 SER C C 13 176.8 0.1 . 1 . . . . . . . . 4707 1 238 . 1 1 51 51 SER CA C 13 60.2 0.1 . 1 . . . . . . . . 4707 1 239 . 1 1 51 51 SER CB C 13 61.8 0.1 . 1 . . . . . . . . 4707 1 240 . 1 1 51 51 SER N N 15 119.2 0.1 . 1 . . . . . . . . 4707 1 241 . 1 1 52 52 ASP H H 1 8.63 0.03 . 1 . . . . . . . . 4707 1 242 . 1 1 52 52 ASP C C 13 178.5 0.1 . 1 . . . . . . . . 4707 1 243 . 1 1 52 52 ASP CA C 13 56.2 0.1 . 1 . . . . . . . . 4707 1 244 . 1 1 52 52 ASP CB C 13 38.8 0.1 . 1 . . . . . . . . 4707 1 245 . 1 1 52 52 ASP N N 15 119.8 0.1 . 1 . . . . . . . . 4707 1 246 . 1 1 53 53 GLN H H 1 6.95 0.03 . 1 . . . . . . . . 4707 1 247 . 1 1 53 53 GLN C C 13 178.6 0.1 . 1 . . . . . . . . 4707 1 248 . 1 1 53 53 GLN CA C 13 57.1 0.1 . 1 . . . . . . . . 4707 1 249 . 1 1 53 53 GLN CB C 13 28.1 0.1 . 1 . . . . . . . . 4707 1 250 . 1 1 53 53 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 4707 1 251 . 1 1 54 54 LEU H H 1 6.92 0.03 . 1 . . . . . . . . 4707 1 252 . 1 1 54 54 LEU C C 13 177.5 0.1 . 1 . . . . . . . . 4707 1 253 . 1 1 54 54 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 4707 1 254 . 1 1 54 54 LEU CB C 13 39.7 0.1 . 1 . . . . . . . . 4707 1 255 . 1 1 54 54 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 4707 1 256 . 1 1 55 55 LYS H H 1 8.08 0.03 . 1 . . . . . . . . 4707 1 257 . 1 1 55 55 LYS C C 13 179.4 0.1 . 1 . . . . . . . . 4707 1 258 . 1 1 55 55 LYS CA C 13 59.1 0.1 . 1 . . . . . . . . 4707 1 259 . 1 1 55 55 LYS CB C 13 31.7 0.1 . 1 . . . . . . . . 4707 1 260 . 1 1 55 55 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 4707 1 261 . 1 1 56 56 ARG H H 1 7.56 0.03 . 1 . . . . . . . . 4707 1 262 . 1 1 56 56 ARG C C 13 178.8 0.1 . 1 . . . . . . . . 4707 1 263 . 1 1 56 56 ARG CA C 13 59.1 0.1 . 1 . . . . . . . . 4707 1 264 . 1 1 56 56 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 4707 1 265 . 1 1 56 56 ARG N N 15 117.8 0.1 . 1 . . . . . . . . 4707 1 266 . 1 1 57 57 HIS H H 1 7.50 0.03 . 1 . . . . . . . . 4707 1 267 . 1 1 57 57 HIS C C 13 176.8 0.1 . 1 . . . . . . . . 4707 1 268 . 1 1 57 57 HIS CA C 13 58.6 0.1 . 1 . . . . . . . . 4707 1 269 . 1 1 57 57 HIS CB C 13 28.1 0.1 . 1 . . . . . . . . 4707 1 270 . 1 1 57 57 HIS N N 15 119.0 0.1 . 1 . . . . . . . . 4707 1 271 . 1 1 58 58 GLN H H 1 8.53 0.03 . 1 . . . . . . . . 4707 1 272 . 1 1 58 58 GLN C C 13 178.1 0.1 . 1 . . . . . . . . 4707 1 273 . 1 1 58 58 GLN CA C 13 59.1 0.1 . 1 . . . . . . . . 4707 1 274 . 1 1 58 58 GLN CB C 13 27.8 0.1 . 1 . . . . . . . . 4707 1 275 . 1 1 58 58 GLN N N 15 116.7 0.1 . 1 . . . . . . . . 4707 1 276 . 1 1 59 59 ARG H H 1 7.27 0.03 . 1 . . . . . . . . 4707 1 277 . 1 1 59 59 ARG C C 13 177.9 0.1 . 1 . . . . . . . . 4707 1 278 . 1 1 59 59 ARG CA C 13 57.8 0.1 . 1 . . . . . . . . 4707 1 279 . 1 1 59 59 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . 4707 1 280 . 1 1 59 59 ARG N N 15 117.9 0.1 . 1 . . . . . . . . 4707 1 281 . 1 1 60 60 ARG H H 1 7.60 0.03 . 1 . . . . . . . . 4707 1 282 . 1 1 60 60 ARG C C 13 177.4 0.1 . 1 . . . . . . . . 4707 1 283 . 1 1 60 60 ARG CA C 13 56.4 0.1 . 1 . . . . . . . . 4707 1 284 . 1 1 60 60 ARG CB C 13 28.8 0.1 . 1 . . . . . . . . 4707 1 285 . 1 1 60 60 ARG N N 15 116.8 0.1 . 1 . . . . . . . . 4707 1 286 . 1 1 61 61 HIS H H 1 7.14 0.03 . 1 . . . . . . . . 4707 1 287 . 1 1 61 61 HIS C C 13 175.5 0.1 . 1 . . . . . . . . 4707 1 288 . 1 1 61 61 HIS CA C 13 55.0 0.1 . 1 . . . . . . . . 4707 1 289 . 1 1 61 61 HIS CB C 13 27.9 0.1 . 1 . . . . . . . . 4707 1 290 . 1 1 61 61 HIS N N 15 116.4 0.1 . 1 . . . . . . . . 4707 1 291 . 1 1 62 62 THR H H 1 7.65 0.03 . 1 . . . . . . . . 4707 1 292 . 1 1 62 62 THR C C 13 174.9 0.1 . 1 . . . . . . . . 4707 1 293 . 1 1 62 62 THR CA C 13 61.8 0.1 . 1 . . . . . . . . 4707 1 294 . 1 1 62 62 THR CB C 13 69.3 0.1 . 1 . . . . . . . . 4707 1 295 . 1 1 62 62 THR N N 15 112.8 0.1 . 1 . . . . . . . . 4707 1 296 . 1 1 63 63 GLY H H 1 8.38 0.03 . 1 . . . . . . . . 4707 1 297 . 1 1 63 63 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 4707 1 298 . 1 1 63 63 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . 4707 1 299 . 1 1 63 63 GLY N N 15 111.0 0.1 . 1 . . . . . . . . 4707 1 300 . 1 1 64 64 VAL H H 1 7.99 0.03 . 1 . . . . . . . . 4707 1 301 . 1 1 64 64 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 4707 1 302 . 1 1 64 64 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . 4707 1 303 . 1 1 64 64 VAL CB C 13 32.1 0.1 . 1 . . . . . . . . 4707 1 304 . 1 1 64 64 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 4707 1 305 . 1 1 65 65 LYS H H 1 8.46 0.03 . 1 . . . . . . . . 4707 1 306 . 1 1 65 65 LYS C C 13 174.1 0.1 . 1 . . . . . . . . 4707 1 307 . 1 1 65 65 LYS CA C 13 53.4 0.1 . 1 . . . . . . . . 4707 1 308 . 1 1 65 65 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 4707 1 309 . 1 1 65 65 LYS N N 15 126.0 0.1 . 1 . . . . . . . . 4707 1 310 . 1 1 66 66 PRO C C 13 176.2 0.1 . 1 . . . . . . . . 4707 1 311 . 1 1 66 66 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 4707 1 312 . 1 1 66 66 PRO CB C 13 31.8 0.1 . 1 . . . . . . . . 4707 1 313 . 1 1 67 67 PHE H H 1 8.04 0.03 . 1 . . . . . . . . 4707 1 314 . 1 1 67 67 PHE C C 13 174.5 0.1 . 1 . . . . . . . . 4707 1 315 . 1 1 67 67 PHE CA C 13 56.9 0.1 . 1 . . . . . . . . 4707 1 316 . 1 1 67 67 PHE CB C 13 39.1 0.1 . 1 . . . . . . . . 4707 1 317 . 1 1 67 67 PHE N N 15 118.5 0.1 . 1 . . . . . . . . 4707 1 318 . 1 1 68 68 GLN H H 1 8.87 0.03 . 1 . . . . . . . . 4707 1 319 . 1 1 68 68 GLN C C 13 174.1 0.1 . 1 . . . . . . . . 4707 1 320 . 1 1 68 68 GLN CA C 13 53.9 0.1 . 1 . . . . . . . . 4707 1 321 . 1 1 68 68 GLN CB C 13 31.7 0.1 . 1 . . . . . . . . 4707 1 322 . 1 1 68 68 GLN N N 15 124.0 0.1 . 1 . . . . . . . . 4707 1 323 . 1 1 69 69 CYS H H 1 9.19 0.03 . 1 . . . . . . . . 4707 1 324 . 1 1 69 69 CYS C C 13 177.0 0.1 . 1 . . . . . . . . 4707 1 325 . 1 1 69 69 CYS CA C 13 59.0 0.1 . 1 . . . . . . . . 4707 1 326 . 1 1 69 69 CYS CB C 13 29.4 0.1 . 1 . . . . . . . . 4707 1 327 . 1 1 69 69 CYS N N 15 128.5 0.1 . 1 . . . . . . . . 4707 1 328 . 1 1 70 70 LYS H H 1 9.35 0.03 . 1 . . . . . . . . 4707 1 329 . 1 1 70 70 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 4707 1 330 . 1 1 70 70 LYS CA C 13 57.8 0.1 . 1 . . . . . . . . 4707 1 331 . 1 1 70 70 LYS CB C 13 31.8 0.1 . 1 . . . . . . . . 4707 1 332 . 1 1 70 70 LYS N N 15 131.2 0.1 . 1 . . . . . . . . 4707 1 333 . 1 1 71 71 THR H H 1 8.90 0.03 . 1 . . . . . . . . 4707 1 334 . 1 1 71 71 THR C C 13 174.7 0.1 . 1 . . . . . . . . 4707 1 335 . 1 1 71 71 THR CA C 13 65.4 0.1 . 1 . . . . . . . . 4707 1 336 . 1 1 71 71 THR CB C 13 68.5 0.1 . 1 . . . . . . . . 4707 1 337 . 1 1 71 71 THR N N 15 118.8 0.1 . 1 . . . . . . . . 4707 1 338 . 1 1 72 72 CYS H H 1 8.18 0.03 . 1 . . . . . . . . 4707 1 339 . 1 1 72 72 CYS C C 13 175.2 0.1 . 1 . . . . . . . . 4707 1 340 . 1 1 72 72 CYS CA C 13 57.9 0.1 . 1 . . . . . . . . 4707 1 341 . 1 1 72 72 CYS CB C 13 31.7 0.1 . 1 . . . . . . . . 4707 1 342 . 1 1 72 72 CYS N N 15 119.0 0.1 . 1 . . . . . . . . 4707 1 343 . 1 1 73 73 GLN H H 1 7.88 0.03 . 1 . . . . . . . . 4707 1 344 . 1 1 73 73 GLN C C 13 175.3 0.1 . 1 . . . . . . . . 4707 1 345 . 1 1 73 73 GLN CA C 13 58.0 0.1 . 1 . . . . . . . . 4707 1 346 . 1 1 73 73 GLN CB C 13 25.5 0.1 . 1 . . . . . . . . 4707 1 347 . 1 1 73 73 GLN N N 15 115.2 0.1 . 1 . . . . . . . . 4707 1 348 . 1 1 74 74 ARG H H 1 8.11 0.03 . 1 . . . . . . . . 4707 1 349 . 1 1 74 74 ARG C C 13 174.5 0.1 . 1 . . . . . . . . 4707 1 350 . 1 1 74 74 ARG CA C 13 57.9 0.1 . 1 . . . . . . . . 4707 1 351 . 1 1 74 74 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 4707 1 352 . 1 1 74 74 ARG N N 15 123.0 0.1 . 1 . . . . . . . . 4707 1 353 . 1 1 75 75 LYS H H 1 8.08 0.03 . 1 . . . . . . . . 4707 1 354 . 1 1 75 75 LYS C C 13 175.5 0.1 . 1 . . . . . . . . 4707 1 355 . 1 1 75 75 LYS CA C 13 54.8 0.1 . 1 . . . . . . . . 4707 1 356 . 1 1 75 75 LYS CB C 13 34.9 0.1 . 1 . . . . . . . . 4707 1 357 . 1 1 75 75 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 4707 1 358 . 1 1 76 76 PHE H H 1 8.88 0.03 . 1 . . . . . . . . 4707 1 359 . 1 1 76 76 PHE C C 13 175.3 0.1 . 1 . . . . . . . . 4707 1 360 . 1 1 76 76 PHE CA C 13 56.7 0.1 . 1 . . . . . . . . 4707 1 361 . 1 1 76 76 PHE CB C 13 43.6 0.1 . 1 . . . . . . . . 4707 1 362 . 1 1 76 76 PHE N N 15 117.0 0.1 . 1 . . . . . . . . 4707 1 363 . 1 1 77 77 SER H H 1 9.77 0.03 . 1 . . . . . . . . 4707 1 364 . 1 1 77 77 SER C C 13 174.0 0.1 . 1 . . . . . . . . 4707 1 365 . 1 1 77 77 SER CA C 13 59.7 0.1 . 1 . . . . . . . . 4707 1 366 . 1 1 77 77 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 4707 1 367 . 1 1 77 77 SER N N 15 116.6 0.1 . 1 . . . . . . . . 4707 1 368 . 1 1 78 78 ARG H H 1 7.27 0.03 . 1 . . . . . . . . 4707 1 369 . 1 1 78 78 ARG C C 13 176.3 0.1 . 1 . . . . . . . . 4707 1 370 . 1 1 78 78 ARG CA C 13 53.8 0.1 . 1 . . . . . . . . 4707 1 371 . 1 1 78 78 ARG CB C 13 34.3 0.1 . 1 . . . . . . . . 4707 1 372 . 1 1 78 78 ARG N N 15 117.3 0.1 . 1 . . . . . . . . 4707 1 373 . 1 1 79 79 SER H H 1 8.59 0.03 . 1 . . . . . . . . 4707 1 374 . 1 1 79 79 SER C C 13 176.9 0.1 . 1 . . . . . . . . 4707 1 375 . 1 1 79 79 SER CA C 13 60.2 0.1 . 1 . . . . . . . . 4707 1 376 . 1 1 79 79 SER CB C 13 61.6 0.1 . 1 . . . . . . . . 4707 1 377 . 1 1 79 79 SER N N 15 119.6 0.1 . 1 . . . . . . . . 4707 1 378 . 1 1 80 80 ASP H H 1 8.72 0.03 . 1 . . . . . . . . 4707 1 379 . 1 1 80 80 ASP C C 13 178.4 0.1 . 1 . . . . . . . . 4707 1 380 . 1 1 80 80 ASP CA C 13 56.1 0.1 . 1 . . . . . . . . 4707 1 381 . 1 1 80 80 ASP CB C 13 38.1 0.1 . 1 . . . . . . . . 4707 1 382 . 1 1 80 80 ASP N N 15 120.9 0.1 . 1 . . . . . . . . 4707 1 383 . 1 1 81 81 HIS H H 1 7.12 0.03 . 1 . . . . . . . . 4707 1 384 . 1 1 81 81 HIS C C 13 178.4 0.1 . 1 . . . . . . . . 4707 1 385 . 1 1 81 81 HIS CA C 13 56.4 0.1 . 1 . . . . . . . . 4707 1 386 . 1 1 81 81 HIS CB C 13 31.1 0.1 . 1 . . . . . . . . 4707 1 387 . 1 1 81 81 HIS N N 15 119.9 0.1 . 1 . . . . . . . . 4707 1 388 . 1 1 82 82 LEU H H 1 7.08 0.03 . 1 . . . . . . . . 4707 1 389 . 1 1 82 82 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 4707 1 390 . 1 1 82 82 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 4707 1 391 . 1 1 82 82 LEU CB C 13 39.8 0.1 . 1 . . . . . . . . 4707 1 392 . 1 1 82 82 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 4707 1 393 . 1 1 83 83 LYS H H 1 8.15 0.03 . 1 . . . . . . . . 4707 1 394 . 1 1 83 83 LYS C C 13 179.5 0.1 . 1 . . . . . . . . 4707 1 395 . 1 1 83 83 LYS CA C 13 59.6 0.1 . 1 . . . . . . . . 4707 1 396 . 1 1 83 83 LYS CB C 13 31.5 0.1 . 1 . . . . . . . . 4707 1 397 . 1 1 83 83 LYS N N 15 121.2 0.1 . 1 . . . . . . . . 4707 1 398 . 1 1 84 84 THR H H 1 8.12 0.03 . 1 . . . . . . . . 4707 1 399 . 1 1 84 84 THR C C 13 176.5 0.1 . 1 . . . . . . . . 4707 1 400 . 1 1 84 84 THR CA C 13 65.9 0.1 . 1 . . . . . . . . 4707 1 401 . 1 1 84 84 THR CB C 13 68.2 0.1 . 1 . . . . . . . . 4707 1 402 . 1 1 84 84 THR N N 15 115.9 0.1 . 1 . . . . . . . . 4707 1 403 . 1 1 85 85 HIS H H 1 7.74 0.03 . 1 . . . . . . . . 4707 1 404 . 1 1 85 85 HIS C C 13 178.2 0.1 . 1 . . . . . . . . 4707 1 405 . 1 1 85 85 HIS CA C 13 58.9 0.1 . 1 . . . . . . . . 4707 1 406 . 1 1 85 85 HIS CB C 13 27.9 0.1 . 1 . . . . . . . . 4707 1 407 . 1 1 85 85 HIS N N 15 120.8 0.1 . 1 . . . . . . . . 4707 1 408 . 1 1 86 86 THR H H 1 8.93 0.03 . 1 . . . . . . . . 4707 1 409 . 1 1 86 86 THR C C 13 176.0 0.1 . 1 . . . . . . . . 4707 1 410 . 1 1 86 86 THR CA C 13 66.6 0.1 . 1 . . . . . . . . 4707 1 411 . 1 1 86 86 THR CB C 13 68.6 0.1 . 1 . . . . . . . . 4707 1 412 . 1 1 86 86 THR N N 15 116.4 0.1 . 1 . . . . . . . . 4707 1 413 . 1 1 87 87 ARG H H 1 7.12 0.03 . 1 . . . . . . . . 4707 1 414 . 1 1 87 87 ARG C C 13 178.0 0.1 . 1 . . . . . . . . 4707 1 415 . 1 1 87 87 ARG CA C 13 57.9 0.1 . 1 . . . . . . . . 4707 1 416 . 1 1 87 87 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . 4707 1 417 . 1 1 87 87 ARG N N 15 119.7 0.1 . 1 . . . . . . . . 4707 1 418 . 1 1 88 88 THR H H 1 7.78 0.03 . 1 . . . . . . . . 4707 1 419 . 1 1 88 88 THR C C 13 175.5 0.1 . 1 . . . . . . . . 4707 1 420 . 1 1 88 88 THR CA C 13 63.5 0.1 . 1 . . . . . . . . 4707 1 421 . 1 1 88 88 THR CB C 13 68.9 0.1 . 1 . . . . . . . . 4707 1 422 . 1 1 88 88 THR N N 15 109.9 0.1 . 1 . . . . . . . . 4707 1 423 . 1 1 89 89 HIS H H 1 7.24 0.03 . 1 . . . . . . . . 4707 1 424 . 1 1 89 89 HIS C C 13 175.4 0.1 . 1 . . . . . . . . 4707 1 425 . 1 1 89 89 HIS CA C 13 54.8 0.1 . 1 . . . . . . . . 4707 1 426 . 1 1 89 89 HIS CB C 13 28.1 0.1 . 1 . . . . . . . . 4707 1 427 . 1 1 89 89 HIS N N 15 118.2 0.1 . 1 . . . . . . . . 4707 1 428 . 1 1 90 90 THR H H 1 7.81 0.03 . 1 . . . . . . . . 4707 1 429 . 1 1 90 90 THR C C 13 175.2 0.1 . 1 . . . . . . . . 4707 1 430 . 1 1 90 90 THR CA C 13 62.2 0.1 . 1 . . . . . . . . 4707 1 431 . 1 1 90 90 THR CB C 13 69.3 0.1 . 1 . . . . . . . . 4707 1 432 . 1 1 90 90 THR N N 15 113.3 0.1 . 1 . . . . . . . . 4707 1 433 . 1 1 91 91 GLY H H 1 8.38 0.03 . 1 . . . . . . . . 4707 1 434 . 1 1 91 91 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 4707 1 435 . 1 1 91 91 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . 4707 1 436 . 1 1 91 91 GLY N N 15 111.1 0.1 . 1 . . . . . . . . 4707 1 437 . 1 1 92 92 GLU H H 1 8.08 0.03 . 1 . . . . . . . . 4707 1 438 . 1 1 92 92 GLU C C 13 176.5 0.1 . 1 . . . . . . . . 4707 1 439 . 1 1 92 92 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 4707 1 440 . 1 1 92 92 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 4707 1 441 . 1 1 92 92 GLU N N 15 120.2 0.1 . 1 . . . . . . . . 4707 1 442 . 1 1 93 93 LYS H H 1 8.40 0.03 . 1 . . . . . . . . 4707 1 443 . 1 1 93 93 LYS C C 13 174.0 0.1 . 1 . . . . . . . . 4707 1 444 . 1 1 93 93 LYS CA C 13 53.4 0.1 . 1 . . . . . . . . 4707 1 445 . 1 1 93 93 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 4707 1 446 . 1 1 93 93 LYS N N 15 121.8 0.1 . 1 . . . . . . . . 4707 1 447 . 1 1 94 94 PRO C C 13 176.5 0.1 . 1 . . . . . . . . 4707 1 448 . 1 1 94 94 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 4707 1 449 . 1 1 94 94 PRO CB C 13 31.8 0.1 . 1 . . . . . . . . 4707 1 450 . 1 1 95 95 PHE H H 1 8.03 0.03 . 1 . . . . . . . . 4707 1 451 . 1 1 95 95 PHE C C 13 175.0 0.1 . 1 . . . . . . . . 4707 1 452 . 1 1 95 95 PHE CA C 13 56.9 0.1 . 1 . . . . . . . . 4707 1 453 . 1 1 95 95 PHE CB C 13 38.9 0.1 . 1 . . . . . . . . 4707 1 454 . 1 1 95 95 PHE N N 15 118.5 0.1 . 1 . . . . . . . . 4707 1 455 . 1 1 96 96 SER H H 1 8.63 0.03 . 1 . . . . . . . . 4707 1 456 . 1 1 96 96 SER C C 13 172.6 0.1 . 1 . . . . . . . . 4707 1 457 . 1 1 96 96 SER CA C 13 57.1 0.1 . 1 . . . . . . . . 4707 1 458 . 1 1 96 96 SER CB C 13 64.6 0.1 . 1 . . . . . . . . 4707 1 459 . 1 1 96 96 SER N N 15 119.3 0.1 . 1 . . . . . . . . 4707 1 460 . 1 1 97 97 CYS H H 1 8.51 0.03 . 1 . . . . . . . . 4707 1 461 . 1 1 97 97 CYS C C 13 176.9 0.1 . 1 . . . . . . . . 4707 1 462 . 1 1 97 97 CYS CA C 13 60.4 0.1 . 1 . . . . . . . . 4707 1 463 . 1 1 97 97 CYS CB C 13 30.0 0.1 . 1 . . . . . . . . 4707 1 464 . 1 1 97 97 CYS N N 15 126.0 0.1 . 1 . . . . . . . . 4707 1 465 . 1 1 98 98 ARG H H 1 10.36 0.03 . 1 . . . . . . . . 4707 1 466 . 1 1 98 98 ARG C C 13 176.9 0.1 . 1 . . . . . . . . 4707 1 467 . 1 1 98 98 ARG CA C 13 56.0 0.1 . 1 . . . . . . . . 4707 1 468 . 1 1 98 98 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 4707 1 469 . 1 1 98 98 ARG N N 15 129.7 0.1 . 1 . . . . . . . . 4707 1 470 . 1 1 99 99 TRP H H 1 9.76 0.03 . 1 . . . . . . . . 4707 1 471 . 1 1 99 99 TRP C C 13 175.8 0.1 . 1 . . . . . . . . 4707 1 472 . 1 1 99 99 TRP CA C 13 56.6 0.1 . 1 . . . . . . . . 4707 1 473 . 1 1 99 99 TRP CB C 13 28.1 0.1 . 1 . . . . . . . . 4707 1 474 . 1 1 99 99 TRP N N 15 130.2 0.1 . 1 . . . . . . . . 4707 1 475 . 1 1 100 100 PRO C C 13 177.5 0.1 . 1 . . . . . . . . 4707 1 476 . 1 1 100 100 PRO CA C 13 64.2 0.1 . 1 . . . . . . . . 4707 1 477 . 1 1 100 100 PRO CB C 13 31.3 0.1 . 1 . . . . . . . . 4707 1 478 . 1 1 101 101 SER H H 1 8.52 0.03 . 1 . . . . . . . . 4707 1 479 . 1 1 101 101 SER C C 13 172.9 0.1 . 1 . . . . . . . . 4707 1 480 . 1 1 101 101 SER CA C 13 59.4 0.1 . 1 . . . . . . . . 4707 1 481 . 1 1 101 101 SER CB C 13 62.3 0.1 . 1 . . . . . . . . 4707 1 482 . 1 1 101 101 SER N N 15 113.0 0.1 . 1 . . . . . . . . 4707 1 483 . 1 1 102 102 CYS H H 1 8.22 0.03 . 1 . . . . . . . . 4707 1 484 . 1 1 102 102 CYS C C 13 175.4 0.1 . 1 . . . . . . . . 4707 1 485 . 1 1 102 102 CYS CA C 13 60.1 0.1 . 1 . . . . . . . . 4707 1 486 . 1 1 102 102 CYS CB C 13 30.7 0.1 . 1 . . . . . . . . 4707 1 487 . 1 1 102 102 CYS N N 15 125.6 0.1 . 1 . . . . . . . . 4707 1 488 . 1 1 103 103 GLN C C 13 175.9 0.1 . 1 . . . . . . . . 4707 1 489 . 1 1 103 103 GLN CA C 13 55.5 0.1 . 1 . . . . . . . . 4707 1 490 . 1 1 103 103 GLN CB C 13 28.8 0.1 . 1 . . . . . . . . 4707 1 491 . 1 1 104 104 LYS H H 1 8.25 0.03 . 1 . . . . . . . . 4707 1 492 . 1 1 104 104 LYS C C 13 175.0 0.1 . 1 . . . . . . . . 4707 1 493 . 1 1 104 104 LYS CA C 13 57.3 0.1 . 1 . . . . . . . . 4707 1 494 . 1 1 104 104 LYS CB C 13 32.4 0.1 . 1 . . . . . . . . 4707 1 495 . 1 1 104 104 LYS N N 15 122.1 0.1 . 1 . . . . . . . . 4707 1 496 . 1 1 105 105 LYS H H 1 7.54 0.03 . 1 . . . . . . . . 4707 1 497 . 1 1 105 105 LYS C C 13 175.1 0.1 . 1 . . . . . . . . 4707 1 498 . 1 1 105 105 LYS CA C 13 53.9 0.1 . 1 . . . . . . . . 4707 1 499 . 1 1 105 105 LYS CB C 13 35.5 0.1 . 1 . . . . . . . . 4707 1 500 . 1 1 105 105 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 4707 1 501 . 1 1 106 106 PHE H H 1 8.84 0.03 . 1 . . . . . . . . 4707 1 502 . 1 1 106 106 PHE C C 13 174.6 0.1 . 1 . . . . . . . . 4707 1 503 . 1 1 106 106 PHE CA C 13 56.8 0.1 . 1 . . . . . . . . 4707 1 504 . 1 1 106 106 PHE CB C 13 43.4 0.1 . 1 . . . . . . . . 4707 1 505 . 1 1 106 106 PHE N N 15 116.2 0.1 . 1 . . . . . . . . 4707 1 506 . 1 1 107 107 ALA H H 1 9.29 0.03 . 1 . . . . . . . . 4707 1 507 . 1 1 107 107 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 4707 1 508 . 1 1 107 107 ALA CA C 13 53.5 0.1 . 1 . . . . . . . . 4707 1 509 . 1 1 107 107 ALA CB C 13 19.9 0.1 . 1 . . . . . . . . 4707 1 510 . 1 1 107 107 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 4707 1 511 . 1 1 108 108 ARG H H 1 7.74 0.03 . 1 . . . . . . . . 4707 1 512 . 1 1 108 108 ARG C C 13 176.6 0.1 . 1 . . . . . . . . 4707 1 513 . 1 1 108 108 ARG CA C 13 53.6 0.1 . 1 . . . . . . . . 4707 1 514 . 1 1 108 108 ARG CB C 13 34.6 0.1 . 1 . . . . . . . . 4707 1 515 . 1 1 108 108 ARG N N 15 113.5 0.1 . 1 . . . . . . . . 4707 1 516 . 1 1 109 109 SER H H 1 8.50 0.03 . 1 . . . . . . . . 4707 1 517 . 1 1 109 109 SER C C 13 176.5 0.1 . 1 . . . . . . . . 4707 1 518 . 1 1 109 109 SER CA C 13 60.3 0.1 . 1 . . . . . . . . 4707 1 519 . 1 1 109 109 SER CB C 13 61.7 0.1 . 1 . . . . . . . . 4707 1 520 . 1 1 109 109 SER N N 15 119.2 0.1 . 1 . . . . . . . . 4707 1 521 . 1 1 110 110 ASP H H 1 8.55 0.03 . 1 . . . . . . . . 4707 1 522 . 1 1 110 110 ASP C C 13 178.6 0.1 . 1 . . . . . . . . 4707 1 523 . 1 1 110 110 ASP CA C 13 56.1 0.1 . 1 . . . . . . . . 4707 1 524 . 1 1 110 110 ASP CB C 13 38.7 0.1 . 1 . . . . . . . . 4707 1 525 . 1 1 110 110 ASP N N 15 118.7 0.1 . 1 . . . . . . . . 4707 1 526 . 1 1 111 111 GLU H H 1 6.95 0.03 . 1 . . . . . . . . 4707 1 527 . 1 1 111 111 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 4707 1 528 . 1 1 111 111 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 4707 1 529 . 1 1 111 111 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 4707 1 530 . 1 1 111 111 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 4707 1 531 . 1 1 112 112 LEU H H 1 6.86 0.03 . 1 . . . . . . . . 4707 1 532 . 1 1 112 112 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 4707 1 533 . 1 1 112 112 LEU CA C 13 57.1 0.1 . 1 . . . . . . . . 4707 1 534 . 1 1 112 112 LEU CB C 13 40.0 0.1 . 1 . . . . . . . . 4707 1 535 . 1 1 112 112 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 4707 1 536 . 1 1 113 113 VAL H H 1 7.87 0.03 . 1 . . . . . . . . 4707 1 537 . 1 1 113 113 VAL C C 13 178.4 0.1 . 1 . . . . . . . . 4707 1 538 . 1 1 113 113 VAL CA C 13 66.2 0.1 . 1 . . . . . . . . 4707 1 539 . 1 1 113 113 VAL CB C 13 31.3 0.1 . 1 . . . . . . . . 4707 1 540 . 1 1 113 113 VAL N N 15 119.2 0.1 . 1 . . . . . . . . 4707 1 541 . 1 1 114 114 ARG H H 1 7.30 0.03 . 1 . . . . . . . . 4707 1 542 . 1 1 114 114 ARG C C 13 178.6 0.1 . 1 . . . . . . . . 4707 1 543 . 1 1 114 114 ARG CA C 13 59.0 0.1 . 1 . . . . . . . . 4707 1 544 . 1 1 114 114 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 4707 1 545 . 1 1 114 114 ARG N N 15 117.4 0.1 . 1 . . . . . . . . 4707 1 546 . 1 1 115 115 HIS H H 1 7.55 0.03 . 1 . . . . . . . . 4707 1 547 . 1 1 115 115 HIS C C 13 177.5 0.1 . 1 . . . . . . . . 4707 1 548 . 1 1 115 115 HIS CA C 13 58.9 0.1 . 1 . . . . . . . . 4707 1 549 . 1 1 115 115 HIS CB C 13 28.3 0.1 . 1 . . . . . . . . 4707 1 550 . 1 1 115 115 HIS N N 15 118.2 0.1 . 1 . . . . . . . . 4707 1 551 . 1 1 116 116 HIS H H 1 9.03 0.03 . 1 . . . . . . . . 4707 1 552 . 1 1 116 116 HIS C C 13 177.8 0.1 . 1 . . . . . . . . 4707 1 553 . 1 1 116 116 HIS CA C 13 58.4 0.1 . 1 . . . . . . . . 4707 1 554 . 1 1 116 116 HIS CB C 13 29.1 0.1 . 1 . . . . . . . . 4707 1 555 . 1 1 116 116 HIS N N 15 119.6 0.1 . 1 . . . . . . . . 4707 1 556 . 1 1 117 117 ASN H H 1 7.65 0.03 . 1 . . . . . . . . 4707 1 557 . 1 1 117 117 ASN C C 13 175.4 0.1 . 1 . . . . . . . . 4707 1 558 . 1 1 117 117 ASN CA C 13 54.1 0.1 . 1 . . . . . . . . 4707 1 559 . 1 1 117 117 ASN CB C 13 38.0 0.1 . 1 . . . . . . . . 4707 1 560 . 1 1 117 117 ASN N N 15 115.3 0.1 . 1 . . . . . . . . 4707 1 561 . 1 1 118 118 MET H H 1 7.68 0.03 . 1 . . . . . . . . 4707 1 562 . 1 1 118 118 MET C C 13 176.4 0.1 . 1 . . . . . . . . 4707 1 563 . 1 1 118 118 MET CA C 13 55.0 0.1 . 1 . . . . . . . . 4707 1 564 . 1 1 118 118 MET CB C 13 31.7 0.1 . 1 . . . . . . . . 4707 1 565 . 1 1 118 118 MET N N 15 117.5 0.1 . 1 . . . . . . . . 4707 1 566 . 1 1 119 119 HIS H H 1 6.84 0.03 . 1 . . . . . . . . 4707 1 567 . 1 1 119 119 HIS C C 13 179.8 0.1 . 1 . . . . . . . . 4707 1 568 . 1 1 119 119 HIS CA C 13 58.0 0.1 . 1 . . . . . . . . 4707 1 569 . 1 1 119 119 HIS CB C 13 28.0 0.1 . 1 . . . . . . . . 4707 1 570 . 1 1 119 119 HIS N N 15 124.6 0.1 . 1 . . . . . . . . 4707 1 stop_ save_