################################### # 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 17817 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D CC SPC53' . . . 17817 1 2 '3D CANH' . . . 17817 1 3 '3D CONH' . . . 17817 1 4 '3D DQCANH' . . . 17817 1 5 '3D DQCONH' . . . 17817 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 29 29 THR CA C 13 63.9 0.3 . 1 . . . . 29 THR CA . 17817 1 2 . 1 1 29 29 THR CB C 13 69.1 0.3 . 1 . . . . 29 THR CB . 17817 1 3 . 1 1 30 30 GLY H H 1 8.24 0.02 . 1 . . . . 30 GLY H . 17817 1 4 . 1 1 30 30 GLY CA C 13 45.1 0.3 . 1 . . . . 30 GLY CA . 17817 1 5 . 1 1 30 30 GLY N N 15 108.8 0.3 . 1 . . . . 30 GLY N . 17817 1 6 . 1 1 37 37 THR C C 13 176.5 0.3 . 1 . . . . 37 THR C . 17817 1 7 . 1 1 38 38 ALA H H 1 7.26 0.02 . 1 . . . . 38 ALA H . 17817 1 8 . 1 1 38 38 ALA C C 13 178.3 0.3 . 1 . . . . 38 ALA C . 17817 1 9 . 1 1 38 38 ALA CA C 13 54.5 0.3 . 1 . . . . 38 ALA CA . 17817 1 10 . 1 1 38 38 ALA N N 15 120.6 0.3 . 1 . . . . 38 ALA N . 17817 1 11 . 1 1 39 39 ALA H H 1 8.07 0.02 . 1 . . . . 39 ALA H . 17817 1 12 . 1 1 39 39 ALA C C 13 178.8 0.3 . 1 . . . . 39 ALA C . 17817 1 13 . 1 1 39 39 ALA CA C 13 54.5 0.3 . 1 . . . . 39 ALA CA . 17817 1 14 . 1 1 39 39 ALA N N 15 118.1 0.3 . 1 . . . . 39 ALA N . 17817 1 15 . 1 1 40 40 LEU H H 1 8.51 0.02 . 1 . . . . 40 LEU H . 17817 1 16 . 1 1 40 40 LEU CA C 13 57.4 0.3 . 1 . . . . 40 LEU CA . 17817 1 17 . 1 1 40 40 LEU N N 15 119.7 0.3 . 1 . . . . 40 LEU N . 17817 1 18 . 1 1 81 81 GLY H H 1 6.81 0.02 . 1 . . . . 81 GLY H . 17817 1 19 . 1 1 81 81 GLY CA C 13 46 0.3 . 1 . . . . 81 GLY CA . 17817 1 20 . 1 1 81 81 GLY N N 15 106.5 0.3 . 1 . . . . 81 GLY N . 17817 1 21 . 1 1 82 82 VAL H H 1 7.14 0.02 . 1 . . . . 82 VAL H . 17817 1 22 . 1 1 82 82 VAL CA C 13 65.5 0.3 . 1 . . . . 82 VAL CA . 17817 1 23 . 1 1 82 82 VAL N N 15 123.8 0.3 . 1 . . . . 82 VAL N . 17817 1 24 . 1 1 86 86 THR H H 1 8.36 0.02 . 1 . . . . 86 THR H . 17817 1 25 . 1 1 86 86 THR C C 13 176.5 0.3 . 1 . . . . 86 THR C . 17817 1 26 . 1 1 86 86 THR CA C 13 61.7 0.3 . 1 . . . . 86 THR CA . 17817 1 27 . 1 1 86 86 THR N N 15 105.6 0.3 . 1 . . . . 86 THR N . 17817 1 28 . 1 1 87 87 GLY H H 1 8.2 0.02 . 1 . . . . 87 GLY H . 17817 1 29 . 1 1 87 87 GLY C C 13 171.1 0.3 . 1 . . . . 87 GLY C . 17817 1 30 . 1 1 87 87 GLY CA C 13 44.4 0.3 . 1 . . . . 87 GLY CA . 17817 1 31 . 1 1 87 87 GLY N N 15 112.8 0.3 . 1 . . . . 87 GLY N . 17817 1 32 . 1 1 88 88 ASP H H 1 7.69 0.02 . 1 . . . . 88 ASP H . 17817 1 33 . 1 1 88 88 ASP CA C 13 52 0.3 . 1 . . . . 88 ASP CA . 17817 1 34 . 1 1 88 88 ASP CB C 13 43.1 0.3 . 1 . . . . 88 ASP CB . 17817 1 35 . 1 1 88 88 ASP N N 15 116.6 0.3 . 1 . . . . 88 ASP N . 17817 1 36 . 1 1 89 89 SER CA C 13 56.3 0.3 . 1 . . . . 89 SER CA . 17817 1 37 . 1 1 89 89 SER CB C 13 64.4 0.3 . 1 . . . . 89 SER CB . 17817 1 38 . 1 1 90 90 PRO C C 13 180.1 0.3 . 1 . . . . 90 PRO C . 17817 1 39 . 1 1 91 91 THR H H 1 9.29 0.02 . 1 . . . . 91 THR H . 17817 1 40 . 1 1 91 91 THR CA C 13 65.6 0.3 . 1 . . . . 91 THR CA . 17817 1 41 . 1 1 91 91 THR N N 15 119.2 0.3 . 1 . . . . 91 THR N . 17817 1 42 . 1 1 109 109 PHE C C 13 177.8 0.3 . 1 . . . . 109 PHE C . 17817 1 43 . 1 1 109 109 PHE CA C 13 63.05 0.3 . 1 . . . . 109 PHE CA . 17817 1 44 . 1 1 110 110 TYR H H 1 6.97 0.02 . 1 . . . . 110 TYR H . 17817 1 45 . 1 1 110 110 TYR C C 13 175.8 0.3 . 1 . . . . 110 TYR C . 17817 1 46 . 1 1 110 110 TYR CA C 13 61.4 0.3 . 1 . . . . 110 TYR CA . 17817 1 47 . 1 1 110 110 TYR N N 15 113.6 0.3 . 1 . . . . 110 TYR N . 17817 1 48 . 1 1 111 111 LEU H H 1 8.69 0.02 . 1 . . . . 111 LEU H . 17817 1 49 . 1 1 111 111 LEU C C 13 181 0.3 . 1 . . . . 111 LEU C . 17817 1 50 . 1 1 111 111 LEU CA C 13 58 0.3 . 1 . . . . 111 LEU CA . 17817 1 51 . 1 1 111 111 LEU N N 15 118.3 0.3 . 1 . . . . 111 LEU N . 17817 1 52 . 1 1 112 112 ILE H H 1 8.84 0.02 . 1 . . . . 112 ILE H . 17817 1 53 . 1 1 112 112 ILE C C 13 177.4 0.3 . 1 . . . . 112 ILE C . 17817 1 54 . 1 1 112 112 ILE CA C 13 64 0.3 . 1 . . . . 112 ILE CA . 17817 1 55 . 1 1 112 112 ILE N N 15 113.4 0.3 . 1 . . . . 112 ILE N . 17817 1 56 . 1 1 113 113 LEU H H 1 6.93 0.02 . 1 . . . . 113 LEU H . 17817 1 57 . 1 1 113 113 LEU C C 13 179.4 0.3 . 1 . . . . 113 LEU C . 17817 1 58 . 1 1 113 113 LEU CA C 13 56.7 0.3 . 1 . . . . 113 LEU CA . 17817 1 59 . 1 1 113 113 LEU N N 15 119.1 0.3 . 1 . . . . 113 LEU N . 17817 1 60 . 1 1 114 114 ALA H H 1 8.86 0.02 . 1 . . . . 114 ALA H . 17817 1 61 . 1 1 114 114 ALA C C 13 179.4 0.3 . 1 . . . . 114 ALA C . 17817 1 62 . 1 1 114 114 ALA CA C 13 53.4 0.3 . 1 . . . . 114 ALA CA . 17817 1 63 . 1 1 114 114 ALA CB C 13 15.7 0.3 . 1 . . . . 114 ALA CB . 17817 1 64 . 1 1 114 114 ALA N N 15 122.7 0.3 . 1 . . . . 114 ALA N . 17817 1 65 . 1 1 115 115 ALA H H 1 6.97 0.02 . 1 . . . . 115 ALA H . 17817 1 66 . 1 1 115 115 ALA C C 13 177.8 0.3 . 1 . . . . 115 ALA C . 17817 1 67 . 1 1 115 115 ALA CA C 13 52.9 0.3 . 1 . . . . 115 ALA CA . 17817 1 68 . 1 1 115 115 ALA N N 15 118 0.3 . 1 . . . . 115 ALA N . 17817 1 69 . 1 1 116 116 ALA H H 1 7.28 0.02 . 1 . . . . 116 ALA H . 17817 1 70 . 1 1 116 116 ALA C C 13 181.7 0.3 . 1 . . . . 116 ALA C . 17817 1 71 . 1 1 116 116 ALA CA C 13 52.5 0.3 . 1 . . . . 116 ALA CA . 17817 1 72 . 1 1 116 116 ALA CB C 13 22.9 0.3 . 1 . . . . 116 ALA CB . 17817 1 73 . 1 1 116 116 ALA N N 15 117.8 0.3 . 1 . . . . 116 ALA N . 17817 1 74 . 1 1 125 125 LYS C C 13 177.7 0.3 . 1 . . . . 125 LYS C . 17817 1 75 . 1 1 125 125 LYS CA C 13 60.542 0.3 . 1 . . . . 125 LYS CA . 17817 1 76 . 1 1 126 126 LYS H H 1 8.22 0.02 . 1 . . . . 126 LYS H . 17817 1 77 . 1 1 126 126 LYS C C 13 179 0.3 . 1 . . . . 126 LYS C . 17817 1 78 . 1 1 126 126 LYS CA C 13 60 0.3 . 1 . . . . 126 LYS CA . 17817 1 79 . 1 1 126 126 LYS CB C 13 33.2 0.3 . 1 . . . . 126 LYS CB . 17817 1 80 . 1 1 126 126 LYS N N 15 116.5 0.3 . 1 . . . . 126 LYS N . 17817 1 81 . 1 1 127 127 LEU H H 1 7.71 0.02 . 1 . . . . 127 LEU H . 17817 1 82 . 1 1 127 127 LEU C C 13 179.1 0.3 . 1 . . . . 127 LEU C . 17817 1 83 . 1 1 127 127 LEU CA C 13 56.6 0.3 . 1 . . . . 127 LEU CA . 17817 1 84 . 1 1 127 127 LEU CB C 13 39.7 0.3 . 1 . . . . 127 LEU CB . 17817 1 85 . 1 1 127 127 LEU N N 15 115.2 0.3 . 1 . . . . 127 LEU N . 17817 1 86 . 1 1 128 128 LEU H H 1 8.59 0.02 . 1 . . . . 128 LEU H . 17817 1 87 . 1 1 128 128 LEU C C 13 179 0.3 . 1 . . . . 128 LEU C . 17817 1 88 . 1 1 128 128 LEU CA C 13 57.7 0.3 . 1 . . . . 128 LEU CA . 17817 1 89 . 1 1 128 128 LEU N N 15 119.8 0.3 . 1 . . . . 128 LEU N . 17817 1 90 . 1 1 129 129 VAL H H 1 8.26 0.02 . 1 . . . . 129 VAL H . 17817 1 91 . 1 1 129 129 VAL C C 13 177.8 0.3 . 1 . . . . 129 VAL C . 17817 1 92 . 1 1 129 129 VAL CA C 13 66.8 0.3 . 1 . . . . 129 VAL CA . 17817 1 93 . 1 1 129 129 VAL CB C 13 30.2 0.3 . 1 . . . . 129 VAL CB . 17817 1 94 . 1 1 129 129 VAL N N 15 116.2 0.3 . 1 . . . . 129 VAL N . 17817 1 95 . 1 1 139 139 TYR C C 13 176.9 0.3 . 1 . . . . 139 TYR C . 17817 1 96 . 1 1 140 140 MET H H 1 8.24 0.02 . 1 . . . . 140 MET H . 17817 1 97 . 1 1 140 140 MET C C 13 179.7 0.3 . 1 . . . . 140 MET C . 17817 1 98 . 1 1 140 140 MET CA C 13 60.2 0.3 . 1 . . . . 140 MET CA . 17817 1 99 . 1 1 140 140 MET N N 15 114.8 0.3 . 1 . . . . 140 MET N . 17817 1 100 . 1 1 141 141 GLY H H 1 8.28 0.02 . 1 . . . . 141 GLY H . 17817 1 101 . 1 1 141 141 GLY C C 13 176.3 0.3 . 1 . . . . 141 GLY C . 17817 1 102 . 1 1 141 141 GLY CA C 13 45.8 0.3 . 1 . . . . 141 GLY CA . 17817 1 103 . 1 1 141 141 GLY N N 15 107 0.3 . 1 . . . . 141 GLY N . 17817 1 104 . 1 1 142 142 GLU H H 1 8.57 0.02 . 1 . . . . 142 GLU H . 17817 1 105 . 1 1 142 142 GLU C C 13 178.3 0.3 . 1 . . . . 142 GLU C . 17817 1 106 . 1 1 142 142 GLU CA C 13 60.4 0.3 . 1 . . . . 142 GLU CA . 17817 1 107 . 1 1 142 142 GLU CB C 13 28.1 0.3 . 1 . . . . 142 GLU CB . 17817 1 108 . 1 1 142 142 GLU N N 15 122.6 0.3 . 1 . . . . 142 GLU N . 17817 1 109 . 1 1 143 143 ALA H H 1 8.71 0.02 . 1 . . . . 143 ALA H . 17817 1 110 . 1 1 143 143 ALA C C 13 178.5 0.3 . 1 . . . . 143 ALA C . 17817 1 111 . 1 1 143 143 ALA CA C 13 51.2 0.3 . 1 . . . . 143 ALA CA . 17817 1 112 . 1 1 143 143 ALA CB C 13 17.9 0.3 . 1 . . . . 143 ALA CB . 17817 1 113 . 1 1 143 143 ALA N N 15 117.2 0.3 . 1 . . . . 143 ALA N . 17817 1 114 . 1 1 144 144 GLY H H 1 7.42 0.02 . 1 . . . . 144 GLY H . 17817 1 115 . 1 1 144 144 GLY C C 13 174.8 0.3 . 1 . . . . 144 GLY C . 17817 1 116 . 1 1 144 144 GLY CA C 13 45.3 0.3 . 1 . . . . 144 GLY CA . 17817 1 117 . 1 1 144 144 GLY N N 15 105.7 0.3 . 1 . . . . 144 GLY N . 17817 1 118 . 1 1 145 145 ILE H H 1 8.2 0.02 . 1 . . . . 145 ILE H . 17817 1 119 . 1 1 145 145 ILE C C 13 175 0.3 . 1 . . . . 145 ILE C . 17817 1 120 . 1 1 145 145 ILE CA C 13 62.5 0.3 . 1 . . . . 145 ILE CA . 17817 1 121 . 1 1 145 145 ILE N N 15 120.9 0.3 . 1 . . . . 145 ILE N . 17817 1 122 . 1 1 146 146 MET H H 1 7.26 0.02 . 1 . . . . 146 MET H . 17817 1 123 . 1 1 146 146 MET C C 13 174.4 0.3 . 1 . . . . 146 MET C . 17817 1 124 . 1 1 146 146 MET CA C 13 52.6 0.3 . 1 . . . . 146 MET CA . 17817 1 125 . 1 1 146 146 MET N N 15 114.5 0.3 . 1 . . . . 146 MET N . 17817 1 126 . 1 1 147 147 ALA H H 1 9.04 0.02 . 1 . . . . 147 ALA H . 17817 1 127 . 1 1 147 147 ALA C C 13 178.3 0.3 . 1 . . . . 147 ALA C . 17817 1 128 . 1 1 147 147 ALA CA C 13 52.8 0.3 . 1 . . . . 147 ALA CA . 17817 1 129 . 1 1 147 147 ALA CB C 13 17.8 0.3 . 1 . . . . 147 ALA CB . 17817 1 130 . 1 1 147 147 ALA N N 15 125.2 0.3 . 1 . . . . 147 ALA N . 17817 1 131 . 1 1 148 148 ALA H H 1 8.47 0.02 . 1 . . . . 148 ALA H . 17817 1 132 . 1 1 148 148 ALA C C 13 182.1 0.3 . 1 . . . . 148 ALA C . 17817 1 133 . 1 1 148 148 ALA CA C 13 55.2 0.3 . 1 . . . . 148 ALA CA . 17817 1 134 . 1 1 148 148 ALA CB C 13 17.9 0.3 . 1 . . . . 148 ALA CB . 17817 1 135 . 1 1 148 148 ALA N N 15 123.9 0.3 . 1 . . . . 148 ALA N . 17817 1 136 . 1 1 149 149 TRP H H 1 9.82 0.02 . 1 . . . . 149 TRP H . 17817 1 137 . 1 1 149 149 TRP C C 13 176.6 0.3 . 1 . . . . 149 TRP C . 17817 1 138 . 1 1 149 149 TRP CA C 13 62.3 0.3 . 1 . . . . 149 TRP CA . 17817 1 139 . 1 1 149 149 TRP N N 15 118.4 0.3 . 1 . . . . 149 TRP N . 17817 1 140 . 1 1 150 150 PRO C C 13 177.5 0.3 . 1 . . . . 150 PRO C . 17817 1 141 . 1 1 150 150 PRO CA C 13 65.6 0.3 . 1 . . . . 150 PRO CA . 17817 1 142 . 1 1 151 151 ALA H H 1 7.42 0.02 . 1 . . . . 151 ALA H . 17817 1 143 . 1 1 151 151 ALA C C 13 178.3 0.3 . 1 . . . . 151 ALA C . 17817 1 144 . 1 1 151 151 ALA CA C 13 55.9 0.3 . 1 . . . . 151 ALA CA . 17817 1 145 . 1 1 151 151 ALA CB C 13 17.6 0.3 . 1 . . . . 151 ALA CB . 17817 1 146 . 1 1 151 151 ALA N N 15 117.5 0.3 . 1 . . . . 151 ALA N . 17817 1 147 . 1 1 152 152 PHE H H 1 7.73 0.02 . 1 . . . . 152 PHE H . 17817 1 148 . 1 1 152 152 PHE C C 13 177.8 0.3 . 1 . . . . 152 PHE C . 17817 1 149 . 1 1 152 152 PHE CA C 13 60.1 0.3 . 1 . . . . 152 PHE CA . 17817 1 150 . 1 1 152 152 PHE N N 15 116.3 0.3 . 1 . . . . 152 PHE N . 17817 1 151 . 1 1 156 156 CYS CA C 13 64.3 0.3 . 1 . . . . 156 CYS CA . 17817 1 152 . 1 1 156 156 CYS CB C 13 26.6 0.3 . 1 . . . . 156 CYS CB . 17817 1 153 . 1 1 166 166 LEU CA C 13 54.9 0.3 . 1 . . . . 166 LEU CA . 17817 1 154 . 1 1 166 166 LEU CB C 13 40.2 0.3 . 1 . . . . 166 LEU CB . 17817 1 155 . 1 1 168 168 ALA H H 1 8.69 0.02 . 1 . . . . 168 ALA H . 17817 1 156 . 1 1 168 168 ALA C C 13 177.5 0.3 . 1 . . . . 168 ALA C . 17817 1 157 . 1 1 168 168 ALA CA C 13 51.2 0.3 . 1 . . . . 168 ALA CA . 17817 1 158 . 1 1 168 168 ALA CB C 13 21.8 0.3 . 1 . . . . 168 ALA CB . 17817 1 159 . 1 1 168 168 ALA N N 15 117 0.3 . 1 . . . . 168 ALA N . 17817 1 160 . 1 1 169 169 GLY H H 1 7.4 0.02 . 1 . . . . 169 GLY H . 17817 1 161 . 1 1 169 169 GLY C C 13 174.7 0.3 . 1 . . . . 169 GLY C . 17817 1 162 . 1 1 169 169 GLY CA C 13 44.3 0.3 . 1 . . . . 169 GLY CA . 17817 1 163 . 1 1 169 169 GLY N N 15 109 0.3 . 1 . . . . 169 GLY N . 17817 1 164 . 1 1 170 170 GLU H H 1 9.39 0.02 . 1 . . . . 170 GLU H . 17817 1 165 . 1 1 170 170 GLU C C 13 179.9 0.3 . 1 . . . . 170 GLU C . 17817 1 166 . 1 1 170 170 GLU CA C 13 58.8 0.3 . 1 . . . . 170 GLU CA . 17817 1 167 . 1 1 170 170 GLU N N 15 125.7 0.3 . 1 . . . . 170 GLU N . 17817 1 168 . 1 1 171 171 GLY H H 1 8.39 0.02 . 1 . . . . 171 GLY H . 17817 1 169 . 1 1 171 171 GLY C C 13 174.5 0.3 . 1 . . . . 171 GLY C . 17817 1 170 . 1 1 171 171 GLY CA C 13 47.3 0.3 . 1 . . . . 171 GLY CA . 17817 1 171 . 1 1 171 171 GLY N N 15 105.3 0.3 . 1 . . . . 171 GLY N . 17817 1 172 . 1 1 172 172 LYS H H 1 6.36 0.02 . 1 . . . . 172 LYS H . 17817 1 173 . 1 1 172 172 LYS C C 13 178.3 0.3 . 1 . . . . 172 LYS C . 17817 1 174 . 1 1 172 172 LYS CA C 13 56.8 0.3 . 1 . . . . 172 LYS CA . 17817 1 175 . 1 1 172 172 LYS N N 15 122.4 0.3 . 1 . . . . 172 LYS N . 17817 1 176 . 1 1 173 173 SER H H 1 8.08 0.02 . 1 . . . . 173 SER H . 17817 1 177 . 1 1 173 173 SER C C 13 176.3 0.3 . 1 . . . . 173 SER C . 17817 1 178 . 1 1 173 173 SER CA C 13 61.1 0.3 . 1 . . . . 173 SER CA . 17817 1 179 . 1 1 173 173 SER CB C 13 61.9 0.3 . 1 . . . . 173 SER CB . 17817 1 180 . 1 1 173 173 SER N N 15 112.1 0.3 . 1 . . . . 173 SER N . 17817 1 181 . 1 1 174 174 ALA H H 1 7.34 0.02 . 1 . . . . 174 ALA H . 17817 1 182 . 1 1 174 174 ALA C C 13 180.2 0.3 . 1 . . . . 174 ALA C . 17817 1 183 . 1 1 174 174 ALA CA C 13 53.9 0.3 . 1 . . . . 174 ALA CA . 17817 1 184 . 1 1 174 174 ALA CB C 13 18 0.3 . 1 . . . . 174 ALA CB . 17817 1 185 . 1 1 174 174 ALA N N 15 121 0.3 . 1 . . . . 174 ALA N . 17817 1 186 . 1 1 175 175 CYS H H 1 8.88 0.02 . 1 . . . . 175 CYS H . 17817 1 187 . 1 1 175 175 CYS C C 13 176.3 0.3 . 1 . . . . 175 CYS C . 17817 1 188 . 1 1 175 175 CYS CA C 13 61.3 0.3 . 1 . . . . 175 CYS CA . 17817 1 189 . 1 1 175 175 CYS CB C 13 25 0.3 . 1 . . . . 175 CYS CB . 17817 1 190 . 1 1 175 175 CYS N N 15 122.3 0.3 . 1 . . . . 175 CYS N . 17817 1 191 . 1 1 176 176 ASN H H 1 8.04 0.02 . 1 . . . . 176 ASN H . 17817 1 192 . 1 1 176 176 ASN C C 13 176.5 0.3 . 1 . . . . 176 ASN C . 17817 1 193 . 1 1 176 176 ASN CA C 13 54.5 0.3 . 1 . . . . 176 ASN CA . 17817 1 194 . 1 1 176 176 ASN CB C 13 37.3 0.3 . 1 . . . . 176 ASN CB . 17817 1 195 . 1 1 176 176 ASN N N 15 113.9 0.3 . 1 . . . . 176 ASN N . 17817 1 196 . 1 1 176 176 ASN HD21 H 1 7.60 0.02 . 1 . . . . 176 ASN HD21 . 17817 1 197 . 1 1 176 176 ASN HD22 H 1 6.94 0.02 . 1 . . . . 176 ASN HD22 . 17817 1 198 . 1 1 176 176 ASN ND2 N 15 110.1 0.3 . 1 . . . . 176 ASN ND2 . 17817 1 199 . 1 1 176 176 ASN CG C 13 175.7 0.3 . 1 . . . . 176 ASN CG . 17817 1 200 . 1 1 177 177 THR H H 1 7.69 0.02 . 1 . . . . 177 THR H . 17817 1 201 . 1 1 177 177 THR C C 13 174.3 0.3 . 1 . . . . 177 THR C . 17817 1 202 . 1 1 177 177 THR CA C 13 61 0.3 . 1 . . . . 177 THR CA . 17817 1 203 . 1 1 177 177 THR CB C 13 69.8 0.3 . 1 . . . . 177 THR CB . 17817 1 204 . 1 1 177 177 THR CG2 C 13 20.4 0.3 . 1 . . . . 177 THR CG2 . 17817 1 205 . 1 1 177 177 THR N N 15 107.4 0.3 . 1 . . . . 177 THR N . 17817 1 206 . 1 1 178 178 ALA H H 1 7.79 0.02 . 1 . . . . 178 ALA H . 17817 1 207 . 1 1 178 178 ALA C C 13 176.6 0.3 . 1 . . . . 178 ALA C . 17817 1 208 . 1 1 178 178 ALA CA C 13 50.1 0.3 . 1 . . . . 178 ALA CA . 17817 1 209 . 1 1 178 178 ALA CB C 13 19.7 0.3 . 1 . . . . 178 ALA CB . 17817 1 210 . 1 1 178 178 ALA N N 15 125 0.3 . 1 . . . . 178 ALA N . 17817 1 211 . 1 1 179 179 SER H H 1 8.45 0.02 . 1 . . . . 179 SER H . 17817 1 212 . 1 1 179 179 SER C C 13 173.2 0.3 . 1 . . . . 179 SER C . 17817 1 213 . 1 1 179 179 SER CA C 13 56.3 0.3 . 1 . . . . 179 SER CA . 17817 1 214 . 1 1 179 179 SER CB C 13 61.8 0.3 . 1 . . . . 179 SER CB . 17817 1 215 . 1 1 179 179 SER N N 15 116.8 0.3 . 1 . . . . 179 SER N . 17817 1 216 . 1 1 180 180 PRO CA C 13 65.5 0.3 . 1 . . . . 180 PRO CA . 17817 1 217 . 1 1 180 180 PRO C C 13 179.6 0.3 . 1 . . . . 180 PRO C . 17817 1 218 . 1 1 181 181 ALA H H 1 8.51 0.02 . 1 . . . . 181 ALA H . 17817 1 219 . 1 1 181 181 ALA C C 13 181.2 0.3 . 1 . . . . 181 ALA C . 17817 1 220 . 1 1 181 181 ALA CA C 13 54.6 0.3 . 1 . . . . 181 ALA CA . 17817 1 221 . 1 1 181 181 ALA CB C 13 17.3 0.3 . 1 . . . . 181 ALA CB . 17817 1 222 . 1 1 181 181 ALA N N 15 118.8 0.3 . 1 . . . . 181 ALA N . 17817 1 223 . 1 1 182 182 VAL H H 1 7.67 0.02 . 1 . . . . 182 VAL H . 17817 1 224 . 1 1 182 182 VAL C C 13 177.3 0.3 . 1 . . . . 182 VAL C . 17817 1 225 . 1 1 182 182 VAL CA C 13 66.1 0.3 . 1 . . . . 182 VAL CA . 17817 1 226 . 1 1 182 182 VAL CB C 13 29.7 0.3 . 1 . . . . 182 VAL CB . 17817 1 227 . 1 1 182 182 VAL N N 15 121 0.3 . 1 . . . . 182 VAL N . 17817 1 228 . 1 1 183 183 GLN H H 1 8.73 0.02 . 1 . . . . 183 GLN H . 17817 1 229 . 1 1 183 183 GLN C C 13 178.7 0.3 . 1 . . . . 183 GLN C . 17817 1 230 . 1 1 183 183 GLN CA C 13 59.4 0.3 . 1 . . . . 183 GLN CA . 17817 1 231 . 1 1 183 183 GLN CB C 13 26.6 0.3 . 1 . . . . 183 GLN CB . 17817 1 232 . 1 1 183 183 GLN N N 15 118.6 0.3 . 1 . . . . 183 GLN N . 17817 1 233 . 1 1 183 183 GLN NE2 N 15 111.8 0.3 . 1 . . . . 183 GLN NE2 . 17817 1 234 . 1 1 183 183 GLN HE21 H 1 7.43 0.02 . 1 . . . . 183 GLN HE21 . 17817 1 235 . 1 1 183 183 GLN HE22 H 1 6.74 0.02 . 1 . . . . 183 GLN HE22 . 17817 1 236 . 1 1 183 183 GLN CG C 13 33.2 0.3 . 1 . . . . 183 GLN CG . 17817 1 237 . 1 1 183 183 GLN CD C 13 180.5 0.3 . 1 . . . . 183 GLN CD . 17817 1 238 . 1 1 184 184 SER H H 1 8.2 0.02 . 1 . . . . 184 SER H . 17817 1 239 . 1 1 184 184 SER C C 13 177.4 0.3 . 1 . . . . 184 SER C . 17817 1 240 . 1 1 184 184 SER CA C 13 60.9 0.3 . 1 . . . . 184 SER CA . 17817 1 241 . 1 1 184 184 SER CB C 13 62.1 0.3 . 1 . . . . 184 SER CB . 17817 1 242 . 1 1 184 184 SER N N 15 112 0.3 . 1 . . . . 184 SER N . 17817 1 243 . 1 1 185 185 ALA H H 1 7.73 0.02 . 1 . . . . 185 ALA H . 17817 1 244 . 1 1 185 185 ALA C C 13 177.8 0.3 . 1 . . . . 185 ALA C . 17817 1 245 . 1 1 185 185 ALA CA C 13 54.9 0.3 . 1 . . . . 185 ALA CA . 17817 1 246 . 1 1 185 185 ALA N N 15 124.1 0.3 . 1 . . . . 185 ALA N . 17817 1 247 . 1 1 186 186 TYR H H 1 8.96 0.02 . 1 . . . . 186 TYR H . 17817 1 248 . 1 1 186 186 TYR C C 13 178 0.3 . 1 . . . . 186 TYR C . 17817 1 249 . 1 1 186 186 TYR CA C 13 60.7 0.3 . 1 . . . . 186 TYR CA . 17817 1 250 . 1 1 186 186 TYR CB C 13 39.1 0.3 . 1 . . . . 186 TYR CB . 17817 1 251 . 1 1 186 186 TYR N N 15 118.3 0.3 . 1 . . . . 186 TYR N . 17817 1 252 . 1 1 187 187 ASN H H 1 8.55 0.02 . 1 . . . . 187 ASN H . 17817 1 253 . 1 1 187 187 ASN C C 13 173.3 0.3 . 1 . . . . 187 ASN C . 17817 1 254 . 1 1 187 187 ASN CA C 13 56.3 0.3 . 1 . . . . 187 ASN CA . 17817 1 255 . 1 1 187 187 ASN N N 15 116.9 0.3 . 1 . . . . 187 ASN N . 17817 1 256 . 1 1 189 189 MET CA C 13 59.4 0.3 . 1 . . . . 189 MET CA . 17817 1 257 . 1 1 189 189 MET CB C 13 34.7 0.3 . 1 . . . . 189 MET CB . 17817 1 258 . 1 1 203 203 GLY H H 1 8.96 0.02 . 1 . . . . 203 GLY H . 17817 1 259 . 1 1 203 203 GLY CA C 13 47.5 0.3 . 1 . . . . 203 GLY CA . 17817 1 260 . 1 1 203 203 GLY N N 15 111.7 0.3 . 1 . . . . 203 GLY N . 17817 1 261 . 1 1 206 206 THR H H 1 8.06 0.02 . 1 . . . . 206 THR H . 17817 1 262 . 1 1 206 206 THR C C 13 176 0.3 . 1 . . . . 206 THR C . 17817 1 263 . 1 1 206 206 THR CA C 13 61.4 0.3 . 1 . . . . 206 THR CA . 17817 1 264 . 1 1 206 206 THR CB C 13 71.8 0.3 . 1 . . . . 206 THR CB . 17817 1 265 . 1 1 206 206 THR N N 15 105.2 0.3 . 1 . . . . 206 THR N . 17817 1 266 . 1 1 207 207 GLY H H 1 8 0.02 . 1 . . . . 207 GLY H . 17817 1 267 . 1 1 207 207 GLY C C 13 177.2 0.3 . 1 . . . . 207 GLY C . 17817 1 268 . 1 1 207 207 GLY CA C 13 45 0.3 . 1 . . . . 207 GLY CA . 17817 1 269 . 1 1 207 207 GLY N N 15 111.7 0.3 . 1 . . . . 207 GLY N . 17817 1 270 . 1 1 208 208 TYR H H 1 7.65 0.02 . 1 . . . . 208 TYR H . 17817 1 271 . 1 1 208 208 TYR CA C 13 51.3 0.3 . 1 . . . . 208 TYR CA . 17817 1 272 . 1 1 208 208 TYR N N 15 117.5 0.3 . 1 . . . . 208 TYR N . 17817 1 273 . 1 1 219 219 LEU C C 13 178.1 0.3 . 1 . . . . 219 LEU C . 17817 1 274 . 1 1 219 219 LEU CA C 13 59.3 0.3 . 1 . . . . 219 LEU CA . 17817 1 275 . 1 1 220 220 ASN H H 1 8.08 0.02 . 1 . . . . 220 ASN H . 17817 1 276 . 1 1 220 220 ASN C C 13 175.1 0.3 . 1 . . . . 220 ASN C . 17817 1 277 . 1 1 220 220 ASN CA C 13 57.7 0.3 . 1 . . . . 220 ASN CA . 17817 1 278 . 1 1 220 220 ASN CB C 13 38.1 0.3 . 1 . . . . 220 ASN CB . 17817 1 279 . 1 1 220 220 ASN N N 15 114 0.3 . 1 . . . . 220 ASN N . 17817 1 280 . 1 1 222 222 ILE H H 1 7.65 0.02 . 1 . . . . 222 ILE H . 17817 1 281 . 1 1 222 222 ILE C C 13 177.4 0.3 . 1 . . . . 222 ILE C . 17817 1 282 . 1 1 222 222 ILE CA C 13 65.1 0.3 . 1 . . . . 222 ILE CA . 17817 1 283 . 1 1 222 222 ILE CB C 13 37.4 0.3 . 1 . . . . 222 ILE CB . 17817 1 284 . 1 1 222 222 ILE N N 15 115 0.3 . 1 . . . . 222 ILE N . 17817 1 285 . 1 1 223 223 TYR H H 1 9.23 0.02 . 1 . . . . 223 TYR H . 17817 1 286 . 1 1 223 223 TYR C C 13 179.2 0.3 . 1 . . . . 223 TYR C . 17817 1 287 . 1 1 223 223 TYR CA C 13 57 0.3 . 1 . . . . 223 TYR CA . 17817 1 288 . 1 1 223 223 TYR N N 15 117.9 0.3 . 1 . . . . 223 TYR N . 17817 1 289 . 1 1 224 224 ASN H H 1 8.22 0.02 . 1 . . . . 224 ASN H . 17817 1 290 . 1 1 224 224 ASN C C 13 177.3 0.3 . 1 . . . . 224 ASN C . 17817 1 291 . 1 1 224 224 ASN CA C 13 54.5 0.3 . 1 . . . . 224 ASN CA . 17817 1 292 . 1 1 224 224 ASN N N 15 119.8 0.3 . 1 . . . . 224 ASN N . 17817 1 293 . 1 1 225 225 LEU H H 1 7.87 0.02 . 1 . . . . 225 LEU H . 17817 1 294 . 1 1 225 225 LEU C C 13 180.1 0.3 . 1 . . . . 225 LEU C . 17817 1 295 . 1 1 225 225 LEU CA C 13 56.6 0.3 . 1 . . . . 225 LEU CA . 17817 1 296 . 1 1 225 225 LEU CB C 13 40.1 0.3 . 1 . . . . 225 LEU CB . 17817 1 297 . 1 1 225 225 LEU N N 15 115.5 0.3 . 1 . . . . 225 LEU N . 17817 1 298 . 1 1 226 226 ALA H H 1 8.92 0.02 . 1 . . . . 226 ALA H . 17817 1 299 . 1 1 226 226 ALA C C 13 183.5 0.3 . 1 . . . . 226 ALA C . 17817 1 300 . 1 1 226 226 ALA CA C 13 54.4 0.3 . 1 . . . . 226 ALA CA . 17817 1 301 . 1 1 226 226 ALA N N 15 119.1 0.3 . 1 . . . . 226 ALA N . 17817 1 302 . 1 1 227 227 ASP H H 1 7.65 0.02 . 1 . . . . 227 ASP H . 17817 1 303 . 1 1 227 227 ASP CA C 13 57.8 0.3 . 1 . . . . 227 ASP CA . 17817 1 304 . 1 1 227 227 ASP N N 15 118.8 0.3 . 1 . . . . 227 ASP N . 17817 1 305 . 1 1 230 230 ASN H H 1 8 0.02 . 1 . . . . 230 ASN H . 17817 1 306 . 1 1 230 230 ASN CA C 13 54.5 0.3 . 1 . . . . 230 ASN CA . 17817 1 307 . 1 1 230 230 ASN N N 15 113.9 0.3 . 1 . . . . 230 ASN N . 17817 1 308 . 1 1 231 231 LYS H H 1 7.91 0.02 . 1 . . . . 231 LYS H . 17817 1 309 . 1 1 231 231 LYS CA C 13 58.6 0.3 . 1 . . . . 231 LYS CA . 17817 1 310 . 1 1 231 231 LYS N N 15 112.5 0.3 . 1 . . . . 231 LYS N . 17817 1 311 . 1 1 233 233 LEU C C 13 177.9 0.3 . 1 . . . . 233 LEU C . 17817 1 312 . 1 1 233 233 LEU CA C 13 58.52 0.3 . 1 . . . . 233 LEU CA . 17817 1 313 . 1 1 234 234 PHE H H 1 7.16 0.02 . 1 . . . . 234 PHE H . 17817 1 314 . 1 1 234 234 PHE C C 13 175.6 0.3 . 1 . . . . 234 PHE C . 17817 1 315 . 1 1 234 234 PHE CA C 13 62.2 0.3 . 1 . . . . 234 PHE CA . 17817 1 316 . 1 1 234 234 PHE CB C 13 40.1 0.3 . 1 . . . . 234 PHE CB . 17817 1 317 . 1 1 234 234 PHE N N 15 114.9 0.3 . 1 . . . . 234 PHE N . 17817 1 318 . 1 1 235 235 GLY H H 1 7.3 0.02 . 1 . . . . 235 GLY H . 17817 1 319 . 1 1 235 235 GLY C C 13 176.7 0.3 . 1 . . . . 235 GLY C . 17817 1 320 . 1 1 235 235 GLY CA C 13 47 0.3 . 1 . . . . 235 GLY CA . 17817 1 321 . 1 1 235 235 GLY N N 15 100.8 0.3 . 1 . . . . 235 GLY N . 17817 1 322 . 1 1 236 236 LEU H H 1 8.69 0.02 . 1 . . . . 236 LEU H . 17817 1 323 . 1 1 236 236 LEU C C 13 179.3 0.3 . 1 . . . . 236 LEU C . 17817 1 324 . 1 1 236 236 LEU CA C 13 57.9 0.3 . 1 . . . . 236 LEU CA . 17817 1 325 . 1 1 236 236 LEU N N 15 123.2 0.3 . 1 . . . . 236 LEU N . 17817 1 326 . 1 1 238 238 ILE H H 1 7.05 0.02 . 1 . . . . 238 ILE H . 17817 1 327 . 1 1 238 238 ILE CA C 13 64.5 0.3 . 1 . . . . 238 ILE CA . 17817 1 328 . 1 1 238 238 ILE N N 15 122 0.3 . 1 . . . . 238 ILE N . 17817 1 329 . 1 1 239 239 TRP C C 13 175.8 0.3 . 1 . . . . 239 TRP C . 17817 1 330 . 1 1 239 239 TRP CA C 13 62.1 0.3 . 1 . . . . 239 TRP CA . 17817 1 331 . 1 1 240 240 ASN H H 1 8.61 0.02 . 1 . . . . 240 ASN H . 17817 1 332 . 1 1 240 240 ASN C C 13 176.5 0.3 . 1 . . . . 240 ASN C . 17817 1 333 . 1 1 240 240 ASN CA C 13 56.3 0.3 . 1 . . . . 240 ASN CA . 17817 1 334 . 1 1 240 240 ASN CB C 13 39.2 0.03 . 1 . . . . 240 ASN CB . 17817 1 335 . 1 1 240 240 ASN N N 15 114 0.3 . 1 . . . . 240 ASN N . 17817 1 336 . 1 1 241 241 VAL H H 1 7.69 0.02 . 1 . . . . 241 VAL H . 17817 1 337 . 1 1 241 241 VAL C C 13 174.7 0.3 . 1 . . . . 241 VAL C . 17817 1 338 . 1 1 241 241 VAL CA C 13 63.6 0.3 . 1 . . . . 241 VAL CA . 17817 1 339 . 1 1 241 241 VAL CB C 13 29.6 0.3 . 1 . . . . 241 VAL CB . 17817 1 340 . 1 1 241 241 VAL N N 15 117.3 0.3 . 1 . . . . 241 VAL N . 17817 1 341 . 1 1 242 242 ALA H H 1 8.2 0.02 . 1 . . . . 242 ALA H . 17817 1 342 . 1 1 242 242 ALA C C 13 180.7 0.3 . 1 . . . . 242 ALA C . 17817 1 343 . 1 1 242 242 ALA CA C 13 53.7 0.3 . 1 . . . . 242 ALA CA . 17817 1 344 . 1 1 242 242 ALA CB C 13 18.8 0.3 . 1 . . . . 242 ALA CB . 17817 1 345 . 1 1 242 242 ALA N N 15 125.8 0.3 . 1 . . . . 242 ALA N . 17817 1 346 . 1 1 248 248 ASN H H 1 7.24 0.02 . 1 . . . . 248 ASN H . 17817 1 347 . 1 1 248 248 ASN CA C 13 52.4 0.3 . 1 . . . . 248 ASN CA . 17817 1 348 . 1 1 248 248 ASN CB C 13 36.9 0.3 . 1 . . . . 248 ASN CB . 17817 1 349 . 1 1 248 248 ASN N N 15 114.2 0.3 . 1 . . . . 248 ASN N . 17817 1 350 . 1 1 249 249 ALA H H 1 8.96 0.02 . 1 . . . . 249 ALA H . 17817 1 351 . 1 1 249 249 ALA CA C 13 52.7 0.3 . 1 . . . . 249 ALA CA . 17817 1 352 . 1 1 249 249 ALA N N 15 125.4 0.3 . 1 . . . . 249 ALA N . 17817 1 stop_ save_