################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18598 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18598 1 2 '3D HNCA' . . . 18598 1 3 '3D HN(CO)CA' . . . 18598 1 4 '3D HNCACB' . . . 18598 1 5 '3D HBHA(CO)NH' . . . 18598 1 6 '3D HNCO' . . . 18598 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 ASP CA C 13 54.42 0.2 . 1 . . . . 137 ASP CA . 18598 1 2 . 1 1 2 2 ASP CB C 13 41.27 0.2 . 1 . . . . 137 ASP CB . 18598 1 3 . 1 1 3 3 ASN H H 1 8.59 0.02 . 1 . . . . 138 ASN H . 18598 1 4 . 1 1 3 3 ASN C C 13 175.39 0.2 . 1 . . . . 138 ASN C . 18598 1 5 . 1 1 3 3 ASN CA C 13 53.41 0.2 . 1 . . . . 138 ASN CA . 18598 1 6 . 1 1 3 3 ASN CB C 13 38.79 0.2 . 1 . . . . 138 ASN CB . 18598 1 7 . 1 1 3 3 ASN N N 15 120.11 0.2 . 1 . . . . 138 ASN N . 18598 1 8 . 1 1 4 4 SER H H 1 8.46 0.02 . 1 . . . . 139 SER H . 18598 1 9 . 1 1 4 4 SER C C 13 175.44 0.2 . 1 . . . . 139 SER C . 18598 1 10 . 1 1 4 4 SER CA C 13 58.96 0.2 . 1 . . . . 139 SER CA . 18598 1 11 . 1 1 4 4 SER CB C 13 63.73 0.2 . 1 . . . . 139 SER CB . 18598 1 12 . 1 1 4 4 SER N N 15 116.80 0.2 . 1 . . . . 139 SER N . 18598 1 13 . 1 1 5 5 VAL H H 1 8.04 0.02 . 1 . . . . 140 VAL H . 18598 1 14 . 1 1 5 5 VAL C C 13 175.99 0.2 . 1 . . . . 140 VAL C . 18598 1 15 . 1 1 5 5 VAL CA C 13 62.78 0.2 . 1 . . . . 140 VAL CA . 18598 1 16 . 1 1 5 5 VAL CB C 13 32.46 0.2 . 1 . . . . 140 VAL CB . 18598 1 17 . 1 1 5 5 VAL N N 15 120.93 0.2 . 1 . . . . 140 VAL N . 18598 1 18 . 1 1 6 6 GLU H H 1 8.29 0.02 . 1 . . . . 141 GLU H . 18598 1 19 . 1 1 6 6 GLU C C 13 174.98 0.2 . 1 . . . . 141 GLU C . 18598 1 20 . 1 1 6 6 GLU CA C 13 55.24 0.2 . 1 . . . . 141 GLU CA . 18598 1 21 . 1 1 6 6 GLU CB C 13 28.92 0.2 . 1 . . . . 141 GLU CB . 18598 1 22 . 1 1 6 6 GLU N N 15 122.58 0.2 . 1 . . . . 141 GLU N . 18598 1 23 . 1 1 7 7 THR H H 1 7.35 0.02 . 1 . . . . 142 THR H . 18598 1 24 . 1 1 7 7 THR C C 13 176.49 0.2 . 1 . . . . 142 THR C . 18598 1 25 . 1 1 7 7 THR CA C 13 61.14 0.2 . 1 . . . . 142 THR CA . 18598 1 26 . 1 1 7 7 THR CB C 13 71.41 0.2 . 1 . . . . 142 THR CB . 18598 1 27 . 1 1 7 7 THR N N 15 113.53 0.2 . 1 . . . . 142 THR N . 18598 1 28 . 1 1 8 8 ILE H H 1 9.48 0.02 . 1 . . . . 143 ILE H . 18598 1 29 . 1 1 8 8 ILE C C 13 177.36 0.2 . 1 . . . . 143 ILE C . 18598 1 30 . 1 1 8 8 ILE CA C 13 59.12 0.2 . 1 . . . . 143 ILE CA . 18598 1 31 . 1 1 8 8 ILE CB C 13 42.26 0.2 . 1 . . . . 143 ILE CB . 18598 1 32 . 1 1 8 8 ILE N N 15 125.38 0.2 . 1 . . . . 143 ILE N . 18598 1 33 . 1 1 9 9 GLU H H 1 8.37 0.02 . 1 . . . . 144 GLU H . 18598 1 34 . 1 1 9 9 GLU C C 13 178.76 0.2 . 1 . . . . 144 GLU C . 18598 1 35 . 1 1 9 9 GLU CA C 13 54.68 0.2 . 1 . . . . 144 GLU CA . 18598 1 36 . 1 1 9 9 GLU CB C 13 30.55 0.2 . 1 . . . . 144 GLU CB . 18598 1 37 . 1 1 9 9 GLU N N 15 127.56 0.2 . 1 . . . . 144 GLU N . 18598 1 38 . 1 1 10 10 LEU H H 1 9.03 0.02 . 1 . . . . 145 LEU H . 18598 1 39 . 1 1 10 10 LEU C C 13 173.43 0.2 . 1 . . . . 145 LEU C . 18598 1 40 . 1 1 10 10 LEU CA C 13 52.73 0.2 . 1 . . . . 145 LEU CA . 18598 1 41 . 1 1 10 10 LEU CB C 13 38.95 0.2 . 1 . . . . 145 LEU CB . 18598 1 42 . 1 1 10 10 LEU N N 15 128.60 0.2 . 1 . . . . 145 LEU N . 18598 1 43 . 1 1 11 11 LYS H H 1 8.77 0.02 . 1 . . . . 146 LYS H . 18598 1 44 . 1 1 11 11 LYS C C 13 175.35 0.2 . 1 . . . . 146 LYS C . 18598 1 45 . 1 1 11 11 LYS CA C 13 57.51 0.2 . 1 . . . . 146 LYS CA . 18598 1 46 . 1 1 11 11 LYS CB C 13 33.17 0.2 . 1 . . . . 146 LYS CB . 18598 1 47 . 1 1 11 11 LYS N N 15 125.99 0.2 . 1 . . . . 146 LYS N . 18598 1 48 . 1 1 12 12 ARG H H 1 8.57 0.02 . 1 . . . . 147 ARG H . 18598 1 49 . 1 1 12 12 ARG C C 13 175.12 0.2 . 1 . . . . 147 ARG C . 18598 1 50 . 1 1 12 12 ARG CA C 13 55.94 0.2 . 1 . . . . 147 ARG CA . 18598 1 51 . 1 1 12 12 ARG CB C 13 31.48 0.2 . 1 . . . . 147 ARG CB . 18598 1 52 . 1 1 12 12 ARG N N 15 124.16 0.2 . 1 . . . . 147 ARG N . 18598 1 53 . 1 1 13 13 GLY H H 1 8.63 0.02 . 1 . . . . 148 GLY H . 18598 1 54 . 1 1 13 13 GLY C C 13 174.67 0.2 . 1 . . . . 148 GLY C . 18598 1 55 . 1 1 13 13 GLY CA C 13 46.94 0.2 . 1 . . . . 148 GLY CA . 18598 1 56 . 1 1 13 13 GLY N N 15 112.38 0.2 . 1 . . . . 148 GLY N . 18598 1 57 . 1 1 14 14 SER H H 1 8.66 0.02 . 1 . . . . 149 SER H . 18598 1 58 . 1 1 14 14 SER C C 13 175.94 0.2 . 1 . . . . 149 SER C . 18598 1 59 . 1 1 14 14 SER CA C 13 58.83 0.2 . 1 . . . . 149 SER CA . 18598 1 60 . 1 1 14 14 SER CB C 13 63.64 0.2 . 1 . . . . 149 SER CB . 18598 1 61 . 1 1 14 14 SER N N 15 118.97 0.2 . 1 . . . . 149 SER N . 18598 1 62 . 1 1 15 15 ASN H H 1 7.86 0.02 . 1 . . . . 150 ASN H . 18598 1 63 . 1 1 15 15 ASN C C 13 177.53 0.2 . 1 . . . . 150 ASN C . 18598 1 64 . 1 1 15 15 ASN CA C 13 52.60 0.2 . 1 . . . . 150 ASN CA . 18598 1 65 . 1 1 15 15 ASN CB C 13 40.51 0.2 . 1 . . . . 150 ASN CB . 18598 1 66 . 1 1 15 15 ASN N N 15 118.13 0.2 . 1 . . . . 150 ASN N . 18598 1 67 . 1 1 16 16 SER H H 1 8.53 0.02 . 1 . . . . 151 SER H . 18598 1 68 . 1 1 16 16 SER C C 13 177.53 0.2 . 1 . . . . 151 SER C . 18598 1 69 . 1 1 16 16 SER CA C 13 58.04 0.2 . 1 . . . . 151 SER CA . 18598 1 70 . 1 1 16 16 SER CB C 13 65.88 0.2 . 1 . . . . 151 SER CB . 18598 1 71 . 1 1 16 16 SER N N 15 116.28 0.2 . 1 . . . . 151 SER N . 18598 1 72 . 1 1 17 17 VAL H H 1 8.13 0.02 . 1 . . . . 152 VAL H . 18598 1 73 . 1 1 17 17 VAL C C 13 178.19 0.2 . 1 . . . . 152 VAL C . 18598 1 74 . 1 1 17 17 VAL CA C 13 60.53 0.2 . 1 . . . . 152 VAL CA . 18598 1 75 . 1 1 17 17 VAL CB C 13 34.98 0.2 . 1 . . . . 152 VAL CB . 18598 1 76 . 1 1 17 17 VAL N N 15 120.58 0.2 . 1 . . . . 152 VAL N . 18598 1 77 . 1 1 18 18 TYR H H 1 8.76 0.02 . 1 . . . . 153 TYR H . 18598 1 78 . 1 1 18 18 TYR C C 13 177.45 0.2 . 1 . . . . 153 TYR C . 18598 1 79 . 1 1 18 18 TYR CA C 13 57.29 0.2 . 1 . . . . 153 TYR CA . 18598 1 80 . 1 1 18 18 TYR CB C 13 39.32 0.2 . 1 . . . . 153 TYR CB . 18598 1 81 . 1 1 18 18 TYR N N 15 125.53 0.2 . 1 . . . . 153 TYR N . 18598 1 82 . 1 1 19 19 VAL H H 1 8.59 0.02 . 1 . . . . 154 VAL H . 18598 1 83 . 1 1 19 19 VAL C C 13 174.75 0.2 . 1 . . . . 154 VAL C . 18598 1 84 . 1 1 19 19 VAL CA C 13 58.94 0.2 . 1 . . . . 154 VAL CA . 18598 1 85 . 1 1 19 19 VAL CB C 13 35.07 0.2 . 1 . . . . 154 VAL CB . 18598 1 86 . 1 1 19 19 VAL N N 15 117.67 0.2 . 1 . . . . 154 VAL N . 18598 1 87 . 1 1 20 20 GLN H H 1 8.77 0.02 . 1 . . . . 155 GLN H . 18598 1 88 . 1 1 20 20 GLN C C 13 176.25 0.2 . 1 . . . . 155 GLN C . 18598 1 89 . 1 1 20 20 GLN CA C 13 54.67 0.2 . 1 . . . . 155 GLN CA . 18598 1 90 . 1 1 20 20 GLN CB C 13 29.75 0.2 . 1 . . . . 155 GLN CB . 18598 1 91 . 1 1 20 20 GLN N N 15 121.14 0.2 . 1 . . . . 155 GLN N . 18598 1 92 . 1 1 21 21 TYR H H 1 8.83 0.02 . 1 . . . . 156 TYR H . 18598 1 93 . 1 1 21 21 TYR C C 13 172.04 0.2 . 1 . . . . 156 TYR C . 18598 1 94 . 1 1 21 21 TYR CA C 13 58.75 0.2 . 1 . . . . 156 TYR CA . 18598 1 95 . 1 1 21 21 TYR CB C 13 38.09 0.2 . 1 . . . . 156 TYR CB . 18598 1 96 . 1 1 21 21 TYR N N 15 120.89 0.2 . 1 . . . . 156 TYR N . 18598 1 97 . 1 1 22 22 ASP H H 1 9.01 0.02 . 1 . . . . 157 ASP H . 18598 1 98 . 1 1 22 22 ASP C C 13 172.41 0.2 . 1 . . . . 157 ASP C . 18598 1 99 . 1 1 22 22 ASP CA C 13 55.07 0.2 . 1 . . . . 157 ASP CA . 18598 1 100 . 1 1 22 22 ASP CB C 13 37.48 0.2 . 1 . . . . 157 ASP CB . 18598 1 101 . 1 1 22 22 ASP N N 15 112.82 0.2 . 1 . . . . 157 ASP N . 18598 1 102 . 1 1 23 23 ASP H H 1 8.01 0.02 . 1 . . . . 158 ASP H . 18598 1 103 . 1 1 23 23 ASP C C 13 173.60 0.2 . 1 . . . . 158 ASP C . 18598 1 104 . 1 1 23 23 ASP CA C 13 55.74 0.2 . 1 . . . . 158 ASP CA . 18598 1 105 . 1 1 23 23 ASP CB C 13 40.87 0.2 . 1 . . . . 158 ASP CB . 18598 1 106 . 1 1 23 23 ASP N N 15 120.29 0.2 . 1 . . . . 158 ASP N . 18598 1 107 . 1 1 24 24 ILE H H 1 7.64 0.02 . 1 . . . . 159 ILE H . 18598 1 108 . 1 1 24 24 ILE C C 13 174.88 0.2 . 1 . . . . 159 ILE C . 18598 1 109 . 1 1 24 24 ILE CA C 13 60.84 0.2 . 1 . . . . 159 ILE CA . 18598 1 110 . 1 1 24 24 ILE CB C 13 38.75 0.2 . 1 . . . . 159 ILE CB . 18598 1 111 . 1 1 24 24 ILE N N 15 117.64 0.2 . 1 . . . . 159 ILE N . 18598 1 112 . 1 1 25 25 MET H H 1 9.42 0.02 . 1 . . . . 160 MET H . 18598 1 113 . 1 1 25 25 MET C C 13 175.35 0.2 . 1 . . . . 160 MET C . 18598 1 114 . 1 1 25 25 MET CA C 13 56.20 0.2 . 1 . . . . 160 MET CA . 18598 1 115 . 1 1 25 25 MET CB C 13 33.48 0.2 . 1 . . . . 160 MET CB . 18598 1 116 . 1 1 25 25 MET N N 15 126.17 0.2 . 1 . . . . 160 MET N . 18598 1 117 . 1 1 26 26 PHE H H 1 6.64 0.02 . 1 . . . . 161 PHE H . 18598 1 118 . 1 1 26 26 PHE C C 13 171.71 0.2 . 1 . . . . 161 PHE C . 18598 1 119 . 1 1 26 26 PHE CA C 13 55.09 0.2 . 1 . . . . 161 PHE CA . 18598 1 120 . 1 1 26 26 PHE CB C 13 40.99 0.2 . 1 . . . . 161 PHE CB . 18598 1 121 . 1 1 26 26 PHE N N 15 107.41 0.2 . 1 . . . . 161 PHE N . 18598 1 122 . 1 1 27 27 PHE H H 1 9.92 0.02 . 1 . . . . 162 PHE H . 18598 1 123 . 1 1 27 27 PHE C C 13 179.03 0.2 . 1 . . . . 162 PHE C . 18598 1 124 . 1 1 27 27 PHE CA C 13 55.95 0.2 . 1 . . . . 162 PHE CA . 18598 1 125 . 1 1 27 27 PHE CB C 13 43.28 0.2 . 1 . . . . 162 PHE CB . 18598 1 126 . 1 1 27 27 PHE N N 15 117.53 0.2 . 1 . . . . 162 PHE N . 18598 1 127 . 1 1 28 28 GLU H H 1 9.33 0.02 . 1 . . . . 163 GLU H . 18598 1 128 . 1 1 28 28 GLU C C 13 176.22 0.2 . 1 . . . . 163 GLU C . 18598 1 129 . 1 1 28 28 GLU CA C 13 53.06 0.2 . 1 . . . . 163 GLU CA . 18598 1 130 . 1 1 28 28 GLU CB C 13 36.23 0.2 . 1 . . . . 163 GLU CB . 18598 1 131 . 1 1 28 28 GLU N N 15 122.53 0.2 . 1 . . . . 163 GLU N . 18598 1 132 . 1 1 29 29 SER H H 1 8.64 0.02 . 1 . . . . 164 SER H . 18598 1 133 . 1 1 29 29 SER C C 13 175.68 0.2 . 1 . . . . 164 SER C . 18598 1 134 . 1 1 29 29 SER CA C 13 58.04 0.2 . 1 . . . . 164 SER CA . 18598 1 135 . 1 1 29 29 SER CB C 13 63.97 0.2 . 1 . . . . 164 SER CB . 18598 1 136 . 1 1 29 29 SER N N 15 119.43 0.2 . 1 . . . . 164 SER N . 18598 1 137 . 1 1 30 30 SER H H 1 8.18 0.02 . 1 . . . . 165 SER H . 18598 1 138 . 1 1 30 30 SER C C 13 177.18 0.2 . 1 . . . . 165 SER C . 18598 1 139 . 1 1 30 30 SER CA C 13 56.74 0.2 . 1 . . . . 165 SER CA . 18598 1 140 . 1 1 30 30 SER CB C 13 64.29 0.2 . 1 . . . . 165 SER CB . 18598 1 141 . 1 1 30 30 SER N N 15 118.11 0.2 . 1 . . . . 165 SER N . 18598 1 142 . 1 1 31 31 THR H H 1 8.38 0.02 . 1 . . . . 166 THR H . 18598 1 143 . 1 1 31 31 THR C C 13 175.68 0.2 . 1 . . . . 166 THR C . 18598 1 144 . 1 1 31 31 THR CA C 13 63.38 0.2 . 1 . . . . 166 THR CA . 18598 1 145 . 1 1 31 31 THR CB C 13 68.92 0.2 . 1 . . . . 166 THR CB . 18598 1 146 . 1 1 31 31 THR N N 15 115.20 0.2 . 1 . . . . 166 THR N . 18598 1 147 . 1 1 32 32 LYS H H 1 8.28 0.02 . 1 . . . . 167 LYS H . 18598 1 148 . 1 1 32 32 LYS C C 13 175.43 0.2 . 1 . . . . 167 LYS C . 18598 1 149 . 1 1 32 32 LYS CA C 13 56.06 0.2 . 1 . . . . 167 LYS CA . 18598 1 150 . 1 1 32 32 LYS CB C 13 33.17 0.2 . 1 . . . . 167 LYS CB . 18598 1 151 . 1 1 32 32 LYS N N 15 121.75 0.2 . 1 . . . . 167 LYS N . 18598 1 152 . 1 1 33 33 SER H H 1 8.07 0.02 . 1 . . . . 168 SER H . 18598 1 153 . 1 1 33 33 SER C C 13 174.66 0.2 . 1 . . . . 168 SER C . 18598 1 154 . 1 1 33 33 SER CA C 13 58.62 0.2 . 1 . . . . 168 SER CA . 18598 1 155 . 1 1 33 33 SER CB C 13 63.90 0.2 . 1 . . . . 168 SER CB . 18598 1 156 . 1 1 33 33 SER N N 15 115.64 0.2 . 1 . . . . 168 SER N . 18598 1 157 . 1 1 34 34 HIS H H 1 8.75 0.02 . 1 . . . . 169 HIS H . 18598 1 158 . 1 1 34 34 HIS C C 13 176.21 0.2 . 1 . . . . 169 HIS C . 18598 1 159 . 1 1 34 34 HIS CA C 13 56.83 0.2 . 1 . . . . 169 HIS CA . 18598 1 160 . 1 1 34 34 HIS CB C 13 27.86 0.2 . 1 . . . . 169 HIS CB . 18598 1 161 . 1 1 34 34 HIS N N 15 117.32 0.2 . 1 . . . . 169 HIS N . 18598 1 162 . 1 1 35 35 ARG H H 1 7.75 0.02 . 1 . . . . 170 ARG H . 18598 1 163 . 1 1 35 35 ARG C C 13 177.11 0.2 . 1 . . . . 170 ARG C . 18598 1 164 . 1 1 35 35 ARG CA C 13 55.05 0.2 . 1 . . . . 170 ARG CA . 18598 1 165 . 1 1 35 35 ARG CB C 13 32.36 0.2 . 1 . . . . 170 ARG CB . 18598 1 166 . 1 1 35 35 ARG N N 15 117.58 0.2 . 1 . . . . 170 ARG N . 18598 1 167 . 1 1 36 36 LEU H H 1 8.61 0.02 . 1 . . . . 171 LEU H . 18598 1 168 . 1 1 36 36 LEU C C 13 175.81 0.2 . 1 . . . . 171 LEU C . 18598 1 169 . 1 1 36 36 LEU CA C 13 52.45 0.2 . 1 . . . . 171 LEU CA . 18598 1 170 . 1 1 36 36 LEU CB C 13 45.56 0.2 . 1 . . . . 171 LEU CB . 18598 1 171 . 1 1 36 36 LEU N N 15 122.14 0.2 . 1 . . . . 171 LEU N . 18598 1 172 . 1 1 37 37 ILE H H 1 9.25 0.02 . 1 . . . . 172 ILE H . 18598 1 173 . 1 1 37 37 ILE C C 13 176.02 0.2 . 1 . . . . 172 ILE C . 18598 1 174 . 1 1 37 37 ILE CA C 13 60.38 0.2 . 1 . . . . 172 ILE CA . 18598 1 175 . 1 1 37 37 ILE CB C 13 40.89 0.2 . 1 . . . . 172 ILE CB . 18598 1 176 . 1 1 37 37 ILE N N 15 117.16 0.2 . 1 . . . . 172 ILE N . 18598 1 177 . 1 1 38 38 ALA H H 1 9.88 0.02 . 1 . . . . 173 ALA H . 18598 1 178 . 1 1 38 38 ALA C C 13 173.57 0.2 . 1 . . . . 173 ALA C . 18598 1 179 . 1 1 38 38 ALA CA C 13 51.04 0.2 . 1 . . . . 173 ALA CA . 18598 1 180 . 1 1 38 38 ALA CB C 13 19.61 0.2 . 1 . . . . 173 ALA CB . 18598 1 181 . 1 1 38 38 ALA N N 15 130.06 0.2 . 1 . . . . 173 ALA N . 18598 1 182 . 1 1 39 39 HIS H H 1 8.65 0.02 . 1 . . . . 174 HIS H . 18598 1 183 . 1 1 39 39 HIS C C 13 175.14 0.2 . 1 . . . . 174 HIS C . 18598 1 184 . 1 1 39 39 HIS CA C 13 55.77 0.2 . 1 . . . . 174 HIS CA . 18598 1 185 . 1 1 39 39 HIS CB C 13 26.39 0.2 . 1 . . . . 174 HIS CB . 18598 1 186 . 1 1 39 39 HIS N N 15 123.47 0.2 . 1 . . . . 174 HIS N . 18598 1 187 . 1 1 40 40 LEU H H 1 8.49 0.02 . 1 . . . . 175 LEU H . 18598 1 188 . 1 1 40 40 LEU C C 13 177.56 0.2 . 1 . . . . 175 LEU C . 18598 1 189 . 1 1 40 40 LEU CA C 13 54.36 0.2 . 1 . . . . 175 LEU CA . 18598 1 190 . 1 1 40 40 LEU CB C 13 41.68 0.2 . 1 . . . . 175 LEU CB . 18598 1 191 . 1 1 40 40 LEU N N 15 126.67 0.2 . 1 . . . . 175 LEU N . 18598 1 192 . 1 1 41 41 ASP H H 1 8.75 0.02 . 1 . . . . 176 ASP H . 18598 1 193 . 1 1 41 41 ASP C C 13 174.76 0.2 . 1 . . . . 176 ASP C . 18598 1 194 . 1 1 41 41 ASP CA C 13 58.58 0.2 . 1 . . . . 176 ASP CA . 18598 1 195 . 1 1 41 41 ASP CB C 13 40.84 0.2 . 1 . . . . 176 ASP CB . 18598 1 196 . 1 1 41 41 ASP N N 15 118.54 0.2 . 1 . . . . 176 ASP N . 18598 1 197 . 1 1 42 42 ASN H H 1 8.65 0.02 . 1 . . . . 177 ASN H . 18598 1 198 . 1 1 42 42 ASN C C 13 173.05 0.2 . 1 . . . . 177 ASN C . 18598 1 199 . 1 1 42 42 ASN CA C 13 52.10 0.2 . 1 . . . . 177 ASN CA . 18598 1 200 . 1 1 42 42 ASN CB C 13 39.50 0.2 . 1 . . . . 177 ASN CB . 18598 1 201 . 1 1 42 42 ASN N N 15 113.67 0.2 . 1 . . . . 177 ASN N . 18598 1 202 . 1 1 43 43 ARG H H 1 7.06 0.02 . 1 . . . . 178 ARG H . 18598 1 203 . 1 1 43 43 ARG C C 13 176.21 0.2 . 1 . . . . 178 ARG C . 18598 1 204 . 1 1 43 43 ARG CA C 13 55.06 0.2 . 1 . . . . 178 ARG CA . 18598 1 205 . 1 1 43 43 ARG CB C 13 32.12 0.2 . 1 . . . . 178 ARG CB . 18598 1 206 . 1 1 43 43 ARG N N 15 114.31 0.2 . 1 . . . . 178 ARG N . 18598 1 207 . 1 1 44 44 GLN H H 1 8.44 0.02 . 1 . . . . 179 GLN H . 18598 1 208 . 1 1 44 44 GLN C C 13 178.26 0.2 . 1 . . . . 179 GLN C . 18598 1 209 . 1 1 44 44 GLN CA C 13 54.44 0.2 . 1 . . . . 179 GLN CA . 18598 1 210 . 1 1 44 44 GLN CB C 13 30.67 0.2 . 1 . . . . 179 GLN CB . 18598 1 211 . 1 1 44 44 GLN N N 15 118.07 0.2 . 1 . . . . 179 GLN N . 18598 1 212 . 1 1 45 45 ILE H H 1 8.56 0.02 . 1 . . . . 180 ILE H . 18598 1 213 . 1 1 45 45 ILE C C 13 175.34 0.2 . 1 . . . . 180 ILE C . 18598 1 214 . 1 1 45 45 ILE CA C 13 59.75 0.2 . 1 . . . . 180 ILE CA . 18598 1 215 . 1 1 45 45 ILE CB C 13 42.04 0.2 . 1 . . . . 180 ILE CB . 18598 1 216 . 1 1 45 45 ILE N N 15 121.24 0.2 . 1 . . . . 180 ILE N . 18598 1 217 . 1 1 46 46 GLU H H 1 8.94 0.02 . 1 . . . . 181 GLU H . 18598 1 218 . 1 1 46 46 GLU C C 13 176.27 0.2 . 1 . . . . 181 GLU C . 18598 1 219 . 1 1 46 46 GLU CA C 13 55.35 0.2 . 1 . . . . 181 GLU CA . 18598 1 220 . 1 1 46 46 GLU CB C 13 31.14 0.2 . 1 . . . . 181 GLU CB . 18598 1 221 . 1 1 46 46 GLU N N 15 130.54 0.2 . 1 . . . . 181 GLU N . 18598 1 222 . 1 1 47 47 PHE H H 1 9.32 0.02 . 1 . . . . 182 PHE H . 18598 1 223 . 1 1 47 47 PHE C C 13 175.10 0.2 . 1 . . . . 182 PHE C . 18598 1 224 . 1 1 47 47 PHE CA C 13 55.93 0.2 . 1 . . . . 182 PHE CA . 18598 1 225 . 1 1 47 47 PHE CB C 13 40.87 0.2 . 1 . . . . 182 PHE CB . 18598 1 226 . 1 1 47 47 PHE N N 15 123.25 0.2 . 1 . . . . 182 PHE N . 18598 1 227 . 1 1 48 48 TYR H H 1 8.89 0.02 . 1 . . . . 183 TYR H . 18598 1 228 . 1 1 48 48 TYR C C 13 179.34 0.2 . 1 . . . . 183 TYR C . 18598 1 229 . 1 1 48 48 TYR CA C 13 57.26 0.2 . 1 . . . . 183 TYR CA . 18598 1 230 . 1 1 48 48 TYR CB C 13 39.06 0.2 . 1 . . . . 183 TYR CB . 18598 1 231 . 1 1 48 48 TYR N N 15 119.23 0.2 . 1 . . . . 183 TYR N . 18598 1 232 . 1 1 49 49 GLY H H 1 7.72 0.02 . 1 . . . . 184 GLY H . 18598 1 233 . 1 1 49 49 GLY C C 13 175.63 0.2 . 1 . . . . 184 GLY C . 18598 1 234 . 1 1 49 49 GLY CA C 13 45.61 0.2 . 1 . . . . 184 GLY CA . 18598 1 235 . 1 1 49 49 GLY N N 15 110.25 0.2 . 1 . . . . 184 GLY N . 18598 1 236 . 1 1 50 50 ASN H H 1 8.42 0.02 . 1 . . . . 185 ASN H . 18598 1 237 . 1 1 50 50 ASN C C 13 180.58 0.2 . 1 . . . . 185 ASN C . 18598 1 238 . 1 1 50 50 ASN CA C 13 52.15 0.2 . 1 . . . . 185 ASN CA . 18598 1 239 . 1 1 50 50 ASN CB C 13 42.09 0.2 . 1 . . . . 185 ASN CB . 18598 1 240 . 1 1 50 50 ASN N N 15 116.69 0.2 . 1 . . . . 185 ASN N . 18598 1 241 . 1 1 51 51 LEU H H 1 9.12 0.02 . 1 . . . . 186 LEU H . 18598 1 242 . 1 1 51 51 LEU C C 13 176.44 0.2 . 1 . . . . 186 LEU C . 18598 1 243 . 1 1 51 51 LEU CA C 13 58.08 0.2 . 1 . . . . 186 LEU CA . 18598 1 244 . 1 1 51 51 LEU CB C 13 41.68 0.2 . 1 . . . . 186 LEU CB . 18598 1 245 . 1 1 51 51 LEU N N 15 124.41 0.2 . 1 . . . . 186 LEU N . 18598 1 246 . 1 1 52 52 LYS H H 1 8.25 0.02 . 1 . . . . 187 LYS H . 18598 1 247 . 1 1 52 52 LYS C C 13 172.54 0.2 . 1 . . . . 187 LYS C . 18598 1 248 . 1 1 52 52 LYS CA C 13 59.52 0.2 . 1 . . . . 187 LYS CA . 18598 1 249 . 1 1 52 52 LYS CB C 13 31.88 0.2 . 1 . . . . 187 LYS CB . 18598 1 250 . 1 1 52 52 LYS N N 15 119.32 0.2 . 1 . . . . 187 LYS N . 18598 1 251 . 1 1 53 53 GLU H H 1 7.85 0.02 . 1 . . . . 188 GLU H . 18598 1 252 . 1 1 53 53 GLU C C 13 171.45 0.2 . 1 . . . . 188 GLU C . 18598 1 253 . 1 1 53 53 GLU CA C 13 59.04 0.2 . 1 . . . . 188 GLU CA . 18598 1 254 . 1 1 53 53 GLU CB C 13 29.56 0.2 . 1 . . . . 188 GLU CB . 18598 1 255 . 1 1 53 53 GLU N N 15 119.11 0.2 . 1 . . . . 188 GLU N . 18598 1 256 . 1 1 54 54 LEU H H 1 7.50 0.02 . 1 . . . . 189 LEU H . 18598 1 257 . 1 1 54 54 LEU C C 13 171.25 0.2 . 1 . . . . 189 LEU C . 18598 1 258 . 1 1 54 54 LEU CA C 13 57.18 0.2 . 1 . . . . 189 LEU CA . 18598 1 259 . 1 1 54 54 LEU CB C 13 41.03 0.2 . 1 . . . . 189 LEU CB . 18598 1 260 . 1 1 54 54 LEU N N 15 119.71 0.2 . 1 . . . . 189 LEU N . 18598 1 261 . 1 1 55 55 SER H H 1 7.79 0.02 . 1 . . . . 190 SER H . 18598 1 262 . 1 1 55 55 SER C C 13 172.72 0.2 . 1 . . . . 190 SER C . 18598 1 263 . 1 1 55 55 SER CA C 13 60.78 0.2 . 1 . . . . 190 SER CA . 18598 1 264 . 1 1 55 55 SER CB C 13 63.23 0.2 . 1 . . . . 190 SER CB . 18598 1 265 . 1 1 55 55 SER N N 15 111.04 0.2 . 1 . . . . 190 SER N . 18598 1 266 . 1 1 56 56 GLN H H 1 7.22 0.02 . 1 . . . . 191 GLN H . 18598 1 267 . 1 1 56 56 GLN C C 13 176.77 0.2 . 1 . . . . 191 GLN C . 18598 1 268 . 1 1 56 56 GLN CA C 13 55.57 0.2 . 1 . . . . 191 GLN CA . 18598 1 269 . 1 1 56 56 GLN CB C 13 29.28 0.2 . 1 . . . . 191 GLN CB . 18598 1 270 . 1 1 56 56 GLN N N 15 117.02 0.2 . 1 . . . . 191 GLN N . 18598 1 271 . 1 1 57 57 LEU H H 1 7.53 0.02 . 1 . . . . 192 LEU H . 18598 1 272 . 1 1 57 57 LEU C C 13 173.98 0.2 . 1 . . . . 192 LEU C . 18598 1 273 . 1 1 57 57 LEU CA C 13 57.80 0.2 . 1 . . . . 192 LEU CA . 18598 1 274 . 1 1 57 57 LEU CB C 13 43.40 0.2 . 1 . . . . 192 LEU CB . 18598 1 275 . 1 1 57 57 LEU N N 15 120.15 0.2 . 1 . . . . 192 LEU N . 18598 1 276 . 1 1 58 58 ASP H H 1 7.19 0.02 . 1 . . . . 193 ASP H . 18598 1 277 . 1 1 58 58 ASP C C 13 173.88 0.2 . 1 . . . . 193 ASP C . 18598 1 278 . 1 1 58 58 ASP CA C 13 54.12 0.2 . 1 . . . . 193 ASP CA . 18598 1 279 . 1 1 58 58 ASP CB C 13 46.23 0.2 . 1 . . . . 193 ASP CB . 18598 1 280 . 1 1 58 58 ASP N N 15 112.09 0.2 . 1 . . . . 193 ASP N . 18598 1 281 . 1 1 59 59 ASP H H 1 8.94 0.02 . 1 . . . . 194 ASP H . 18598 1 282 . 1 1 59 59 ASP C C 13 175.38 0.2 . 1 . . . . 194 ASP C . 18598 1 283 . 1 1 59 59 ASP CA C 13 56.77 0.2 . 1 . . . . 194 ASP CA . 18598 1 284 . 1 1 59 59 ASP CB C 13 41.13 0.2 . 1 . . . . 194 ASP CB . 18598 1 285 . 1 1 59 59 ASP N N 15 125.41 0.2 . 1 . . . . 194 ASP N . 18598 1 286 . 1 1 60 60 ARG H H 1 9.20 0.02 . 1 . . . . 195 ARG H . 18598 1 287 . 1 1 60 60 ARG C C 13 174.59 0.2 . 1 . . . . 195 ARG C . 18598 1 288 . 1 1 60 60 ARG CA C 13 56.77 0.2 . 1 . . . . 195 ARG CA . 18598 1 289 . 1 1 60 60 ARG CB C 13 28.12 0.2 . 1 . . . . 195 ARG CB . 18598 1 290 . 1 1 60 60 ARG N N 15 117.89 0.2 . 1 . . . . 195 ARG N . 18598 1 291 . 1 1 61 61 PHE H H 1 7.87 0.02 . 1 . . . . 196 PHE H . 18598 1 292 . 1 1 61 61 PHE C C 13 175.54 0.2 . 1 . . . . 196 PHE C . 18598 1 293 . 1 1 61 61 PHE CA C 13 56.43 0.2 . 1 . . . . 196 PHE CA . 18598 1 294 . 1 1 61 61 PHE CB C 13 39.37 0.2 . 1 . . . . 196 PHE CB . 18598 1 295 . 1 1 61 61 PHE N N 15 120.81 0.2 . 1 . . . . 196 PHE N . 18598 1 296 . 1 1 62 62 PHE H H 1 8.92 0.02 . 1 . . . . 197 PHE H . 18598 1 297 . 1 1 62 62 PHE C C 13 176.30 0.2 . 1 . . . . 197 PHE C . 18598 1 298 . 1 1 62 62 PHE CA C 13 56.31 0.2 . 1 . . . . 197 PHE CA . 18598 1 299 . 1 1 62 62 PHE CB C 13 43.16 0.2 . 1 . . . . 197 PHE CB . 18598 1 300 . 1 1 62 62 PHE N N 15 121.53 0.2 . 1 . . . . 197 PHE N . 18598 1 301 . 1 1 63 63 ARG H H 1 9.00 0.02 . 1 . . . . 198 ARG H . 18598 1 302 . 1 1 63 63 ARG C C 13 176.46 0.2 . 1 . . . . 198 ARG C . 18598 1 303 . 1 1 63 63 ARG CA C 13 54.97 0.2 . 1 . . . . 198 ARG CA . 18598 1 304 . 1 1 63 63 ARG CB C 13 29.93 0.2 . 1 . . . . 198 ARG CB . 18598 1 305 . 1 1 63 63 ARG N N 15 132.79 0.2 . 1 . . . . 198 ARG N . 18598 1 306 . 1 1 64 64 CYS H H 1 7.74 0.02 . 1 . . . . 199 CYS H . 18598 1 307 . 1 1 64 64 CYS C C 13 178.20 0.2 . 1 . . . . 199 CYS C . 18598 1 308 . 1 1 64 64 CYS CA C 13 56.05 0.2 . 1 . . . . 199 CYS CA . 18598 1 309 . 1 1 64 64 CYS CB C 13 29.73 0.2 . 1 . . . . 199 CYS CB . 18598 1 310 . 1 1 64 64 CYS N N 15 121.69 0.2 . 1 . . . . 199 CYS N . 18598 1 311 . 1 1 65 65 HIS H H 1 8.52 0.02 . 1 . . . . 200 HIS H . 18598 1 312 . 1 1 65 65 HIS C C 13 179.04 0.2 . 1 . . . . 200 HIS C . 18598 1 313 . 1 1 65 65 HIS CA C 13 56.80 0.2 . 1 . . . . 200 HIS CA . 18598 1 314 . 1 1 65 65 HIS CB C 13 36.95 0.2 . 1 . . . . 200 HIS CB . 18598 1 315 . 1 1 65 65 HIS N N 15 125.62 0.2 . 1 . . . . 200 HIS N . 18598 1 316 . 1 1 66 66 ASN H H 1 8.72 0.02 . 1 . . . . 201 ASN H . 18598 1 317 . 1 1 66 66 ASN C C 13 177.20 0.2 . 1 . . . . 201 ASN C . 18598 1 318 . 1 1 66 66 ASN CA C 13 57.33 0.2 . 1 . . . . 201 ASN CA . 18598 1 319 . 1 1 66 66 ASN CB C 13 38.83 0.2 . 1 . . . . 201 ASN CB . 18598 1 320 . 1 1 66 66 ASN N N 15 125.50 0.2 . 1 . . . . 201 ASN N . 18598 1 321 . 1 1 67 67 SER H H 1 12.10 0.02 . 1 . . . . 202 SER H . 18598 1 322 . 1 1 67 67 SER C C 13 172.79 0.2 . 1 . . . . 202 SER C . 18598 1 323 . 1 1 67 67 SER CA C 13 59.56 0.2 . 1 . . . . 202 SER CA . 18598 1 324 . 1 1 67 67 SER CB C 13 64.31 0.2 . 1 . . . . 202 SER CB . 18598 1 325 . 1 1 67 67 SER N N 15 116.98 0.2 . 1 . . . . 202 SER N . 18598 1 326 . 1 1 68 68 PHE H H 1 7.19 0.02 . 1 . . . . 203 PHE H . 18598 1 327 . 1 1 68 68 PHE C C 13 178.02 0.2 . 1 . . . . 203 PHE C . 18598 1 328 . 1 1 68 68 PHE CA C 13 56.74 0.2 . 1 . . . . 203 PHE CA . 18598 1 329 . 1 1 68 68 PHE CB C 13 44.85 0.2 . 1 . . . . 203 PHE CB . 18598 1 330 . 1 1 68 68 PHE N N 15 112.33 0.2 . 1 . . . . 203 PHE N . 18598 1 331 . 1 1 69 69 VAL H H 1 8.69 0.02 . 1 . . . . 204 VAL H . 18598 1 332 . 1 1 69 69 VAL C C 13 175.79 0.2 . 1 . . . . 204 VAL C . 18598 1 333 . 1 1 69 69 VAL CA C 13 61.16 0.2 . 1 . . . . 204 VAL CA . 18598 1 334 . 1 1 69 69 VAL CB C 13 35.14 0.2 . 1 . . . . 204 VAL CB . 18598 1 335 . 1 1 69 69 VAL N N 15 120.60 0.2 . 1 . . . . 204 VAL N . 18598 1 336 . 1 1 70 70 VAL H H 1 9.32 0.02 . 1 . . . . 205 VAL H . 18598 1 337 . 1 1 70 70 VAL C C 13 175.26 0.2 . 1 . . . . 205 VAL C . 18598 1 338 . 1 1 70 70 VAL CA C 13 59.44 0.2 . 1 . . . . 205 VAL CA . 18598 1 339 . 1 1 70 70 VAL CB C 13 34.28 0.2 . 1 . . . . 205 VAL CB . 18598 1 340 . 1 1 70 70 VAL N N 15 119.66 0.2 . 1 . . . . 205 VAL N . 18598 1 341 . 1 1 71 71 ASN H H 1 8.27 0.02 . 1 . . . . 206 ASN H . 18598 1 342 . 1 1 71 71 ASN C C 13 177.10 0.2 . 1 . . . . 206 ASN C . 18598 1 343 . 1 1 71 71 ASN CA C 13 51.79 0.2 . 1 . . . . 206 ASN CA . 18598 1 344 . 1 1 71 71 ASN CB C 13 39.22 0.2 . 1 . . . . 206 ASN CB . 18598 1 345 . 1 1 71 71 ASN N N 15 117.91 0.2 . 1 . . . . 206 ASN N . 18598 1 346 . 1 1 72 72 ARG H H 1 9.97 0.02 . 1 . . . . 207 ARG H . 18598 1 347 . 1 1 72 72 ARG C C 13 173.60 0.2 . 1 . . . . 207 ARG C . 18598 1 348 . 1 1 72 72 ARG CA C 13 59.85 0.2 . 1 . . . . 207 ARG CA . 18598 1 349 . 1 1 72 72 ARG CB C 13 32.04 0.2 . 1 . . . . 207 ARG CB . 18598 1 350 . 1 1 72 72 ARG N N 15 124.50 0.2 . 1 . . . . 207 ARG N . 18598 1 351 . 1 1 73 73 HIS H H 1 8.74 0.02 . 1 . . . . 208 HIS H . 18598 1 352 . 1 1 73 73 HIS C C 13 171.75 0.2 . 1 . . . . 208 HIS C . 18598 1 353 . 1 1 73 73 HIS CA C 13 56.35 0.2 . 1 . . . . 208 HIS CA . 18598 1 354 . 1 1 73 73 HIS CB C 13 28.19 0.2 . 1 . . . . 208 HIS CB . 18598 1 355 . 1 1 73 73 HIS N N 15 113.30 0.2 . 1 . . . . 208 HIS N . 18598 1 356 . 1 1 74 74 ASN H H 1 8.00 0.02 . 1 . . . . 209 ASN H . 18598 1 357 . 1 1 74 74 ASN C C 13 175.31 0.2 . 1 . . . . 209 ASN C . 18598 1 358 . 1 1 74 74 ASN CA C 13 52.84 0.2 . 1 . . . . 209 ASN CA . 18598 1 359 . 1 1 74 74 ASN CB C 13 41.84 0.2 . 1 . . . . 209 ASN CB . 18598 1 360 . 1 1 74 74 ASN N N 15 114.16 0.2 . 1 . . . . 209 ASN N . 18598 1 361 . 1 1 75 75 ILE H H 1 7.04 0.02 . 1 . . . . 210 ILE H . 18598 1 362 . 1 1 75 75 ILE C C 13 176.52 0.2 . 1 . . . . 210 ILE C . 18598 1 363 . 1 1 75 75 ILE CA C 13 63.33 0.2 . 1 . . . . 210 ILE CA . 18598 1 364 . 1 1 75 75 ILE CB C 13 39.28 0.2 . 1 . . . . 210 ILE CB . 18598 1 365 . 1 1 75 75 ILE N N 15 122.22 0.2 . 1 . . . . 210 ILE N . 18598 1 366 . 1 1 76 76 GLU H H 1 9.61 0.02 . 1 . . . . 211 GLU H . 18598 1 367 . 1 1 76 76 GLU C C 13 175.67 0.2 . 1 . . . . 211 GLU C . 18598 1 368 . 1 1 76 76 GLU CA C 13 57.12 0.2 . 1 . . . . 211 GLU CA . 18598 1 369 . 1 1 76 76 GLU CB C 13 32.64 0.2 . 1 . . . . 211 GLU CB . 18598 1 370 . 1 1 76 76 GLU N N 15 130.53 0.2 . 1 . . . . 211 GLU N . 18598 1 371 . 1 1 77 77 SER H H 1 7.73 0.02 . 1 . . . . 212 SER H . 18598 1 372 . 1 1 77 77 SER C C 13 175.44 0.2 . 1 . . . . 212 SER C . 18598 1 373 . 1 1 77 77 SER CA C 13 58.22 0.2 . 1 . . . . 212 SER CA . 18598 1 374 . 1 1 77 77 SER CB C 13 64.74 0.2 . 1 . . . . 212 SER CB . 18598 1 375 . 1 1 77 77 SER N N 15 111.44 0.2 . 1 . . . . 212 SER N . 18598 1 376 . 1 1 78 78 ILE H H 1 8.44 0.02 . 1 . . . . 213 ILE H . 18598 1 377 . 1 1 78 78 ILE C C 13 179.86 0.2 . 1 . . . . 213 ILE C . 18598 1 378 . 1 1 78 78 ILE CA C 13 60.44 0.2 . 1 . . . . 213 ILE CA . 18598 1 379 . 1 1 78 78 ILE CB C 13 42.10 0.2 . 1 . . . . 213 ILE CB . 18598 1 380 . 1 1 78 78 ILE N N 15 119.00 0.2 . 1 . . . . 213 ILE N . 18598 1 381 . 1 1 79 79 ASP H H 1 9.30 0.02 . 1 . . . . 214 ASP H . 18598 1 382 . 1 1 79 79 ASP C C 13 175.35 0.2 . 1 . . . . 214 ASP C . 18598 1 383 . 1 1 79 79 ASP CA C 13 52.16 0.2 . 1 . . . . 214 ASP CA . 18598 1 384 . 1 1 79 79 ASP CB C 13 41.80 0.2 . 1 . . . . 214 ASP CB . 18598 1 385 . 1 1 79 79 ASP N N 15 127.57 0.2 . 1 . . . . 214 ASP N . 18598 1 386 . 1 1 80 80 SER H H 1 8.91 0.02 . 1 . . . . 215 SER H . 18598 1 387 . 1 1 80 80 SER C C 13 173.60 0.2 . 1 . . . . 215 SER C . 18598 1 388 . 1 1 80 80 SER CA C 13 61.01 0.2 . 1 . . . . 215 SER CA . 18598 1 389 . 1 1 80 80 SER CB C 13 62.97 0.2 . 1 . . . . 215 SER CB . 18598 1 390 . 1 1 80 80 SER N N 15 120.99 0.2 . 1 . . . . 215 SER N . 18598 1 391 . 1 1 81 81 LYS H H 1 8.28 0.02 . 1 . . . . 216 LYS H . 18598 1 392 . 1 1 81 81 LYS C C 13 176.34 0.2 . 1 . . . . 216 LYS C . 18598 1 393 . 1 1 81 81 LYS CA C 13 58.97 0.2 . 1 . . . . 216 LYS CA . 18598 1 394 . 1 1 81 81 LYS CB C 13 32.56 0.2 . 1 . . . . 216 LYS CB . 18598 1 395 . 1 1 81 81 LYS N N 15 123.04 0.2 . 1 . . . . 216 LYS N . 18598 1 396 . 1 1 82 82 GLU H H 1 7.78 0.02 . 1 . . . . 217 GLU H . 18598 1 397 . 1 1 82 82 GLU C C 13 172.71 0.2 . 1 . . . . 217 GLU C . 18598 1 398 . 1 1 82 82 GLU CA C 13 55.59 0.2 . 1 . . . . 217 GLU CA . 18598 1 399 . 1 1 82 82 GLU CB C 13 30.33 0.2 . 1 . . . . 217 GLU CB . 18598 1 400 . 1 1 82 82 GLU N N 15 116.10 0.2 . 1 . . . . 217 GLU N . 18598 1 401 . 1 1 83 83 ARG H H 1 7.83 0.02 . 1 . . . . 218 ARG H . 18598 1 402 . 1 1 83 83 ARG C C 13 175.51 0.2 . 1 . . . . 218 ARG C . 18598 1 403 . 1 1 83 83 ARG CA C 13 57.63 0.2 . 1 . . . . 218 ARG CA . 18598 1 404 . 1 1 83 83 ARG CB C 13 26.27 0.2 . 1 . . . . 218 ARG CB . 18598 1 405 . 1 1 83 83 ARG N N 15 115.08 0.2 . 1 . . . . 218 ARG N . 18598 1 406 . 1 1 84 84 ILE H H 1 7.51 0.02 . 1 . . . . 219 ILE H . 18598 1 407 . 1 1 84 84 ILE C C 13 177.24 0.2 . 1 . . . . 219 ILE C . 18598 1 408 . 1 1 84 84 ILE CA C 13 60.06 0.2 . 1 . . . . 219 ILE CA . 18598 1 409 . 1 1 84 84 ILE CB C 13 40.96 0.2 . 1 . . . . 219 ILE CB . 18598 1 410 . 1 1 84 84 ILE N N 15 116.69 0.2 . 1 . . . . 219 ILE N . 18598 1 411 . 1 1 85 85 VAL H H 1 8.19 0.02 . 1 . . . . 220 VAL H . 18598 1 412 . 1 1 85 85 VAL C C 13 177.54 0.2 . 1 . . . . 220 VAL C . 18598 1 413 . 1 1 85 85 VAL CA C 13 61.09 0.2 . 1 . . . . 220 VAL CA . 18598 1 414 . 1 1 85 85 VAL CB C 13 32.31 0.2 . 1 . . . . 220 VAL CB . 18598 1 415 . 1 1 85 85 VAL N N 15 127.07 0.2 . 1 . . . . 220 VAL N . 18598 1 416 . 1 1 86 86 TYR H H 1 8.71 0.02 . 1 . . . . 221 TYR H . 18598 1 417 . 1 1 86 86 TYR C C 13 177.28 0.2 . 1 . . . . 221 TYR C . 18598 1 418 . 1 1 86 86 TYR CA C 13 57.94 0.2 . 1 . . . . 221 TYR CA . 18598 1 419 . 1 1 86 86 TYR CB C 13 39.74 0.2 . 1 . . . . 221 TYR CB . 18598 1 420 . 1 1 86 86 TYR N N 15 123.10 0.2 . 1 . . . . 221 TYR N . 18598 1 421 . 1 1 87 87 PHE H H 1 8.82 0.02 . 1 . . . . 222 PHE H . 18598 1 422 . 1 1 87 87 PHE C C 13 174.03 0.2 . 1 . . . . 222 PHE C . 18598 1 423 . 1 1 87 87 PHE CA C 13 58.36 0.2 . 1 . . . . 222 PHE CA . 18598 1 424 . 1 1 87 87 PHE CB C 13 42.85 0.2 . 1 . . . . 222 PHE CB . 18598 1 425 . 1 1 87 87 PHE N N 15 119.33 0.2 . 1 . . . . 222 PHE N . 18598 1 426 . 1 1 88 88 LYS H H 1 8.56 0.02 . 1 . . . . 223 LYS H . 18598 1 427 . 1 1 88 88 LYS C C 13 172.32 0.2 . 1 . . . . 223 LYS C . 18598 1 428 . 1 1 88 88 LYS CA C 13 59.43 0.2 . 1 . . . . 223 LYS CA . 18598 1 429 . 1 1 88 88 LYS CB C 13 33.31 0.2 . 1 . . . . 223 LYS CB . 18598 1 430 . 1 1 88 88 LYS N N 15 120.60 0.2 . 1 . . . . 223 LYS N . 18598 1 431 . 1 1 89 89 ASN H H 1 7.62 0.02 . 1 . . . . 224 ASN H . 18598 1 432 . 1 1 89 89 ASN C C 13 175.39 0.2 . 1 . . . . 224 ASN C . 18598 1 433 . 1 1 89 89 ASN CA C 13 52.91 0.2 . 1 . . . . 224 ASN CA . 18598 1 434 . 1 1 89 89 ASN CB C 13 38.54 0.2 . 1 . . . . 224 ASN CB . 18598 1 435 . 1 1 89 89 ASN N N 15 116.96 0.2 . 1 . . . . 224 ASN N . 18598 1 436 . 1 1 90 90 LYS H H 1 8.25 0.02 . 1 . . . . 225 LYS H . 18598 1 437 . 1 1 90 90 LYS C C 13 174.59 0.2 . 1 . . . . 225 LYS C . 18598 1 438 . 1 1 90 90 LYS CA C 13 58.39 0.2 . 1 . . . . 225 LYS CA . 18598 1 439 . 1 1 90 90 LYS CB C 13 29.00 0.2 . 1 . . . . 225 LYS CB . 18598 1 440 . 1 1 90 90 LYS N N 15 110.68 0.2 . 1 . . . . 225 LYS N . 18598 1 441 . 1 1 91 91 GLU H H 1 7.80 0.02 . 1 . . . . 226 GLU H . 18598 1 442 . 1 1 91 91 GLU C C 13 173.55 0.2 . 1 . . . . 226 GLU C . 18598 1 443 . 1 1 91 91 GLU CA C 13 57.80 0.2 . 1 . . . . 226 GLU CA . 18598 1 444 . 1 1 91 91 GLU CB C 13 33.59 0.2 . 1 . . . . 226 GLU CB . 18598 1 445 . 1 1 91 91 GLU N N 15 118.19 0.2 . 1 . . . . 226 GLU N . 18598 1 446 . 1 1 92 92 HIS H H 1 8.43 0.02 . 1 . . . . 227 HIS H . 18598 1 447 . 1 1 92 92 HIS C C 13 176.17 0.2 . 1 . . . . 227 HIS C . 18598 1 448 . 1 1 92 92 HIS CA C 13 54.35 0.2 . 1 . . . . 227 HIS CA . 18598 1 449 . 1 1 92 92 HIS CB C 13 32.36 0.2 . 1 . . . . 227 HIS CB . 18598 1 450 . 1 1 92 92 HIS N N 15 113.61 0.2 . 1 . . . . 227 HIS N . 18598 1 451 . 1 1 93 93 CYS H H 1 8.46 0.02 . 1 . . . . 228 CYS H . 18598 1 452 . 1 1 93 93 CYS C C 13 178.83 0.2 . 1 . . . . 228 CYS C . 18598 1 453 . 1 1 93 93 CYS CA C 13 55.50 0.2 . 1 . . . . 228 CYS CA . 18598 1 454 . 1 1 93 93 CYS CB C 13 28.57 0.2 . 1 . . . . 228 CYS CB . 18598 1 455 . 1 1 93 93 CYS N N 15 114.11 0.2 . 1 . . . . 228 CYS N . 18598 1 456 . 1 1 94 94 TYR CA C 13 57.00 0.2 . 1 . . . . 229 TYR CA . 18598 1 457 . 1 1 94 94 TYR CB C 13 41.75 0.2 . 1 . . . . 229 TYR CB . 18598 1 458 . 1 1 95 95 ALA H H 1 8.11 0.02 . 1 . . . . 230 ALA H . 18598 1 459 . 1 1 95 95 ALA C C 13 177.78 0.2 . 1 . . . . 230 ALA C . 18598 1 460 . 1 1 95 95 ALA CA C 13 49.75 0.2 . 1 . . . . 230 ALA CA . 18598 1 461 . 1 1 95 95 ALA CB C 13 22.70 0.2 . 1 . . . . 230 ALA CB . 18598 1 462 . 1 1 95 95 ALA N N 15 117.12 0.2 . 1 . . . . 230 ALA N . 18598 1 463 . 1 1 96 96 SER H H 1 9.26 0.02 . 1 . . . . 231 SER H . 18598 1 464 . 1 1 96 96 SER C C 13 174.37 0.2 . 1 . . . . 231 SER C . 18598 1 465 . 1 1 96 96 SER CA C 13 57.04 0.2 . 1 . . . . 231 SER CA . 18598 1 466 . 1 1 96 96 SER CB C 13 65.17 0.2 . 1 . . . . 231 SER CB . 18598 1 467 . 1 1 96 96 SER N N 15 117.01 0.2 . 1 . . . . 231 SER N . 18598 1 468 . 1 1 97 97 VAL H H 1 8.74 0.02 . 1 . . . . 232 VAL H . 18598 1 469 . 1 1 97 97 VAL C C 13 175.68 0.2 . 1 . . . . 232 VAL C . 18598 1 470 . 1 1 97 97 VAL CA C 13 65.82 0.2 . 1 . . . . 232 VAL CA . 18598 1 471 . 1 1 97 97 VAL CB C 13 32.18 0.2 . 1 . . . . 232 VAL CB . 18598 1 472 . 1 1 97 97 VAL N N 15 121.65 0.2 . 1 . . . . 232 VAL N . 18598 1 473 . 1 1 98 98 ARG H H 1 8.20 0.02 . 1 . . . . 233 ARG H . 18598 1 474 . 1 1 98 98 ARG C C 13 173.37 0.2 . 1 . . . . 233 ARG C . 18598 1 475 . 1 1 98 98 ARG CA C 13 58.15 0.2 . 1 . . . . 233 ARG CA . 18598 1 476 . 1 1 98 98 ARG CB C 13 30.53 0.2 . 1 . . . . 233 ARG CB . 18598 1 477 . 1 1 98 98 ARG N N 15 117.30 0.2 . 1 . . . . 233 ARG N . 18598 1 478 . 1 1 99 99 ASN H H 1 7.70 0.02 . 1 . . . . 234 ASN H . 18598 1 479 . 1 1 99 99 ASN C C 13 173.38 0.2 . 1 . . . . 234 ASN C . 18598 1 480 . 1 1 99 99 ASN CA C 13 53.89 0.2 . 1 . . . . 234 ASN CA . 18598 1 481 . 1 1 99 99 ASN CB C 13 40.20 0.2 . 1 . . . . 234 ASN CB . 18598 1 482 . 1 1 99 99 ASN N N 15 114.34 0.2 . 1 . . . . 234 ASN N . 18598 1 483 . 1 1 100 100 VAL H H 1 8.15 0.02 . 1 . . . . 235 VAL H . 18598 1 484 . 1 1 100 100 VAL C C 13 173.18 0.2 . 1 . . . . 235 VAL C . 18598 1 485 . 1 1 100 100 VAL CA C 13 65.50 0.2 . 1 . . . . 235 VAL CA . 18598 1 486 . 1 1 100 100 VAL CB C 13 31.22 0.2 . 1 . . . . 235 VAL CB . 18598 1 487 . 1 1 100 100 VAL N N 15 121.77 0.2 . 1 . . . . 235 VAL N . 18598 1 488 . 1 1 101 101 LYS H H 1 8.05 0.02 . 1 . . . . 236 LYS H . 18598 1 489 . 1 1 101 101 LYS C C 13 175.52 0.2 . 1 . . . . 236 LYS C . 18598 1 490 . 1 1 101 101 LYS CA C 13 56.86 0.2 . 1 . . . . 236 LYS CA . 18598 1 491 . 1 1 101 101 LYS CB C 13 32.04 0.2 . 1 . . . . 236 LYS CB . 18598 1 492 . 1 1 101 101 LYS N N 15 117.96 0.2 . 1 . . . . 236 LYS N . 18598 1 493 . 1 1 102 102 LYS H H 1 7.69 0.02 . 1 . . . . 237 LYS H . 18598 1 494 . 1 1 102 102 LYS C C 13 174.36 0.2 . 1 . . . . 237 LYS C . 18598 1 495 . 1 1 102 102 LYS CA C 13 55.51 0.2 . 1 . . . . 237 LYS CA . 18598 1 496 . 1 1 102 102 LYS CB C 13 34.00 0.2 . 1 . . . . 237 LYS CB . 18598 1 497 . 1 1 102 102 LYS N N 15 118.12 0.2 . 1 . . . . 237 LYS N . 18598 1 498 . 1 1 103 103 ILE H H 1 6.83 0.02 . 1 . . . . 238 ILE H . 18598 1 499 . 1 1 103 103 ILE C C 13 175.54 0.2 . 1 . . . . 238 ILE C . 18598 1 500 . 1 1 103 103 ILE CA C 13 65.83 0.2 . 1 . . . . 238 ILE CA . 18598 1 501 . 1 1 103 103 ILE CB C 13 38.70 0.2 . 1 . . . . 238 ILE CB . 18598 1 502 . 1 1 103 103 ILE N N 15 124.63 0.2 . 1 . . . . 238 ILE N . 18598 1 stop_ save_