################################### # 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 18198 _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 '3D HNCA' . . . 18198 1 2 '3D HNCACB' . . . 18198 1 3 '3D CBCA(CO)NH' . . . 18198 1 4 '3D C(CO)NH' . . . 18198 1 6 '2D 1H-15N HSQC' . . . 18198 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 ALA CA C 13 52.593 0.20 . 1 . . . . 139 ALA CA . 18198 1 2 . 1 1 2 2 ALA CB C 13 19.336 0.20 . 1 . . . . 139 ALA CB . 18198 1 3 . 1 1 3 3 MET H H 1 8.492 0.003 . 1 . . . . 140 MET H . 18198 1 4 . 1 1 3 3 MET CA C 13 55.581 0.20 . 1 . . . . 140 MET CA . 18198 1 5 . 1 1 3 3 MET CB C 13 32.488 0.20 . 1 . . . . 140 MET CB . 18198 1 6 . 1 1 3 3 MET N N 15 119.782 0.04 . 1 . . . . 140 MET N . 18198 1 7 . 1 1 4 4 GLY H H 1 8.334 0.003 . 1 . . . . 141 GLY H . 18198 1 8 . 1 1 4 4 GLY CA C 13 45.17 0.20 . 1 . . . . 141 GLY CA . 18198 1 9 . 1 1 4 4 GLY N N 15 110.553 0.04 . 1 . . . . 141 GLY N . 18198 1 10 . 1 1 5 5 ALA H H 1 8.126 0.003 . 1 . . . . 142 ALA H . 18198 1 11 . 1 1 5 5 ALA CA C 13 52.529 0.20 . 1 . . . . 142 ALA CA . 18198 1 12 . 1 1 5 5 ALA CB C 13 19.336 0.20 . 1 . . . . 142 ALA CB . 18198 1 13 . 1 1 5 5 ALA N N 15 124.018 0.04 . 1 . . . . 142 ALA N . 18198 1 14 . 1 1 6 6 SER H H 1 8.353 0.003 . 1 . . . . 143 SER H . 18198 1 15 . 1 1 6 6 SER CA C 13 58.44 0.20 . 1 . . . . 143 SER CA . 18198 1 16 . 1 1 6 6 SER CB C 13 63.833 0.20 . 1 . . . . 143 SER CB . 18198 1 17 . 1 1 6 6 SER N N 15 115.335 0.04 . 1 . . . . 143 SER N . 18198 1 18 . 1 1 7 7 GLY H H 1 8.418 0.003 . 1 . . . . 144 GLY H . 18198 1 19 . 1 1 7 7 GLY CA C 13 45.392 0.20 . 1 . . . . 144 GLY CA . 18198 1 20 . 1 1 7 7 GLY N N 15 111.075 0.04 . 1 . . . . 144 GLY N . 18198 1 21 . 1 1 8 8 GLY H H 1 8.218 0.003 . 1 . . . . 145 GLY H . 18198 1 22 . 1 1 8 8 GLY CA C 13 45.256 0.20 . 1 . . . . 145 GLY CA . 18198 1 23 . 1 1 8 8 GLY N N 15 108.879 0.04 . 1 . . . . 145 GLY N . 18198 1 24 . 1 1 9 9 GLU H H 1 8.408 0.003 . 1 . . . . 146 GLU H . 18198 1 25 . 1 1 9 9 GLU CA C 13 56.935 0.20 . 1 . . . . 146 GLU CA . 18198 1 26 . 1 1 9 9 GLU CB C 13 30.077 0.20 . 1 . . . . 146 GLU CB . 18198 1 27 . 1 1 9 9 GLU N N 15 120.563 0.04 . 1 . . . . 146 GLU N . 18198 1 28 . 1 1 10 10 ASP H H 1 8.312 0.003 . 1 . . . . 147 ASP H . 18198 1 29 . 1 1 10 10 ASP CA C 13 54.528 0.20 . 1 . . . . 147 ASP CA . 18198 1 30 . 1 1 10 10 ASP CB C 13 41.036 0.20 . 1 . . . . 147 ASP CB . 18198 1 31 . 1 1 10 10 ASP N N 15 120.488 0.04 . 1 . . . . 147 ASP N . 18198 1 32 . 1 1 11 11 ASP H H 1 8.107 0.003 . 1 . . . . 148 ASP H . 18198 1 33 . 1 1 11 11 ASP CA C 13 55.022 0.20 . 1 . . . . 148 ASP CA . 18198 1 34 . 1 1 11 11 ASP CB C 13 41.036 0.20 . 1 . . . . 148 ASP CB . 18198 1 35 . 1 1 11 11 ASP N N 15 120.993 0.04 . 1 . . . . 148 ASP N . 18198 1 36 . 1 1 12 12 GLU H H 1 8.316 0.003 . 1 . . . . 149 GLU H . 18198 1 37 . 1 1 12 12 GLU CA C 13 57.537 0.20 . 1 . . . . 149 GLU CA . 18198 1 38 . 1 1 12 12 GLU CB C 13 29.803 0.20 . 1 . . . . 149 GLU CB . 18198 1 39 . 1 1 12 12 GLU N N 15 121.064 0.04 . 1 . . . . 149 GLU N . 18198 1 40 . 1 1 13 13 LEU H H 1 8.048 0.003 . 1 . . . . 150 LEU H . 18198 1 41 . 1 1 13 13 LEU CA C 13 55.502 0.20 . 1 . . . . 150 LEU CA . 18198 1 42 . 1 1 13 13 LEU CB C 13 41.749 0.20 . 1 . . . . 150 LEU CB . 18198 1 43 . 1 1 13 13 LEU N N 15 121.276 0.04 . 1 . . . . 150 LEU N . 18198 1 44 . 1 1 14 14 LYS H H 1 7.916 0.003 . 1 . . . . 151 LYS H . 18198 1 45 . 1 1 14 14 LYS CA C 13 57.107 0.20 . 1 . . . . 151 LYS CA . 18198 1 46 . 1 1 14 14 LYS CB C 13 32.707 0.20 . 1 . . . . 151 LYS CB . 18198 1 47 . 1 1 14 14 LYS N N 15 120.69 0.04 . 1 . . . . 151 LYS N . 18198 1 48 . 1 1 15 15 GLY H H 1 8.178 0.003 . 1 . . . . 152 GLY H . 18198 1 49 . 1 1 15 15 GLY CA C 13 45.406 0.20 . 1 . . . . 152 GLY CA . 18198 1 50 . 1 1 15 15 GLY N N 15 108.649 0.04 . 1 . . . . 152 GLY N . 18198 1 51 . 1 1 16 16 LEU H H 1 7.867 0.003 . 1 . . . . 153 LEU H . 18198 1 52 . 1 1 16 16 LEU CA C 13 55.345 0.20 . 1 . . . . 153 LEU CA . 18198 1 53 . 1 1 16 16 LEU CB C 13 42.187 0.20 . 1 . . . . 153 LEU CB . 18198 1 54 . 1 1 16 16 LEU N N 15 121.202 0.04 . 1 . . . . 153 LEU N . 18198 1 55 . 1 1 17 17 LEU H H 1 8.063 0.003 . 1 . . . . 154 LEU H . 18198 1 56 . 1 1 17 17 LEU CA C 13 55.216 0.20 . 1 . . . . 154 LEU CA . 18198 1 57 . 1 1 17 17 LEU CB C 13 42.297 0.20 . 1 . . . . 154 LEU CB . 18198 1 58 . 1 1 17 17 LEU N N 15 121.572 0.04 . 1 . . . . 154 LEU N . 18198 1 59 . 1 1 18 18 GLY H H 1 8.139 0.003 . 1 . . . . 155 GLY H . 18198 1 60 . 1 1 18 18 GLY CA C 13 45.082 0.20 . 1 . . . . 155 GLY CA . 18198 1 61 . 1 1 18 18 GLY N N 15 109.038 0.04 . 1 . . . . 155 GLY N . 18198 1 62 . 1 1 19 19 LEU H H 1 7.954 0.003 . 1 . . . . 156 LEU H . 18198 1 63 . 1 1 19 19 LEU CA C 13 52.958 0.20 . 1 . . . . 156 LEU CA . 18198 1 64 . 1 1 19 19 LEU CB C 13 41.475 0.20 . 1 . . . . 156 LEU CB . 18198 1 65 . 1 1 19 19 LEU N N 15 122.621 0.04 . 1 . . . . 156 LEU N . 18198 1 66 . 1 1 20 20 PRO CA C 13 63.169 0.20 . 1 . . . . 157 PRO CA . 18198 1 67 . 1 1 20 20 PRO CB C 13 31.885 0.20 . 1 . . . . 157 PRO CB . 18198 1 68 . 1 1 21 21 GLU H H 1 8.476 0.003 . 1 . . . . 158 GLU H . 18198 1 69 . 1 1 21 21 GLU CA C 13 56.785 0.20 . 1 . . . . 158 GLU CA . 18198 1 70 . 1 1 21 21 GLU CB C 13 30.241 0.20 . 1 . . . . 158 GLU CB . 18198 1 71 . 1 1 21 21 GLU N N 15 121.043 0.04 . 1 . . . . 158 GLU N . 18198 1 72 . 1 1 22 22 GLU H H 1 8.331 0.003 . 1 . . . . 159 GLU H . 18198 1 73 . 1 1 22 22 GLU CA C 13 56.548 0.20 . 1 . . . . 159 GLU CA . 18198 1 74 . 1 1 22 22 GLU CB C 13 30.405 0.20 . 1 . . . . 159 GLU CB . 18198 1 75 . 1 1 22 22 GLU N N 15 121.428 0.04 . 1 . . . . 159 GLU N . 18198 1 76 . 1 1 23 23 GLU H H 1 8.357 0.003 . 1 . . . . 160 GLU H . 18198 1 77 . 1 1 23 23 GLU CA C 13 56.548 0.20 . 1 . . . . 160 GLU CA . 18198 1 78 . 1 1 23 23 GLU CB C 13 30.405 0.20 . 1 . . . . 160 GLU CB . 18198 1 79 . 1 1 23 23 GLU N N 15 122.166 0.04 . 1 . . . . 160 GLU N . 18198 1 80 . 1 1 24 24 THR H H 1 8.096 0.003 . 1 . . . . 161 THR H . 18198 1 81 . 1 1 24 24 THR CA C 13 61.957 0.20 . 1 . . . . 161 THR CA . 18198 1 82 . 1 1 24 24 THR CB C 13 70.087 0.20 . 1 . . . . 161 THR CB . 18198 1 83 . 1 1 24 24 THR N N 15 115.35 0.04 . 1 . . . . 161 THR N . 18198 1 84 . 1 1 25 25 GLU H H 1 8.379 0.003 . 1 . . . . 162 GLU H . 18198 1 85 . 1 1 25 25 GLU CA C 13 56.419 0.20 . 1 . . . . 162 GLU CA . 18198 1 86 . 1 1 25 25 GLU CB C 13 30.077 0.20 . 1 . . . . 162 GLU CB . 18198 1 87 . 1 1 25 25 GLU N N 15 123.288 0.04 . 1 . . . . 162 GLU N . 18198 1 88 . 1 1 26 26 LEU H H 1 8.13 0.003 . 1 . . . . 163 LEU H . 18198 1 89 . 1 1 26 26 LEU CA C 13 55.409 0.20 . 1 . . . . 163 LEU CA . 18198 1 90 . 1 1 26 26 LEU CB C 13 42.242 0.20 . 1 . . . . 163 LEU CB . 18198 1 91 . 1 1 26 26 LEU N N 15 122.943 0.04 . 1 . . . . 163 LEU N . 18198 1 92 . 1 1 27 27 ASP H H 1 8.191 0.003 . 1 . . . . 164 ASP H . 18198 1 93 . 1 1 27 27 ASP CA C 13 54.549 0.20 . 1 . . . . 164 ASP CA . 18198 1 94 . 1 1 27 27 ASP CB C 13 41.036 0.20 . 1 . . . . 164 ASP CB . 18198 1 95 . 1 1 27 27 ASP N N 15 120.382 0.04 . 1 . . . . 164 ASP N . 18198 1 96 . 1 1 28 28 ASN H H 1 8.17 0.003 . 1 . . . . 165 ASN H . 18198 1 97 . 1 1 28 28 ASN CA C 13 53.453 0.20 . 1 . . . . 165 ASN CA . 18198 1 98 . 1 1 28 28 ASN CB C 13 38.57 0.20 . 1 . . . . 165 ASN CB . 18198 1 99 . 1 1 28 28 ASN N N 15 118.519 0.04 . 1 . . . . 165 ASN N . 18198 1 100 . 1 1 29 29 LEU H H 1 8.138 0.003 . 1 . . . . 166 LEU H . 18198 1 101 . 1 1 29 29 LEU CA C 13 55.646 0.20 . 1 . . . . 166 LEU CA . 18198 1 102 . 1 1 29 29 LEU CB C 13 42.023 0.20 . 1 . . . . 166 LEU CB . 18198 1 103 . 1 1 29 29 LEU N N 15 121.841 0.04 . 1 . . . . 166 LEU N . 18198 1 104 . 1 1 30 30 THR H H 1 7.991 0.003 . 1 . . . . 167 THR H . 18198 1 105 . 1 1 30 30 THR CA C 13 62.675 0.20 . 1 . . . . 167 THR CA . 18198 1 106 . 1 1 30 30 THR CB C 13 69.641 0.20 . 1 . . . . 167 THR CB . 18198 1 107 . 1 1 30 30 THR N N 15 114.123 0.04 . 1 . . . . 167 THR N . 18198 1 108 . 1 1 31 31 GLU H H 1 8.21 0.003 . 1 . . . . 168 GLU H . 18198 1 109 . 1 1 31 31 GLU CA C 13 57.043 0.20 . 1 . . . . 168 GLU CA . 18198 1 110 . 1 1 31 31 GLU CB C 13 30.022 0.20 . 1 . . . . 168 GLU CB . 18198 1 111 . 1 1 31 31 GLU N N 15 122.233 0.04 . 1 . . . . 168 GLU N . 18198 1 112 . 1 1 32 32 PHE H H 1 8.061 0.003 . 1 . . . . 169 PHE H . 18198 1 113 . 1 1 32 32 PHE CA C 13 58.354 0.20 . 1 . . . . 169 PHE CA . 18198 1 114 . 1 1 32 32 PHE CB C 13 39.392 0.20 . 1 . . . . 169 PHE CB . 18198 1 115 . 1 1 32 32 PHE N N 15 120.344 0.04 . 1 . . . . 169 PHE N . 18198 1 116 . 1 1 33 33 ASN H H 1 8.234 0.003 . 1 . . . . 170 ASN H . 18198 1 117 . 1 1 33 33 ASN CA C 13 53.603 0.20 . 1 . . . . 170 ASN CA . 18198 1 118 . 1 1 33 33 ASN CB C 13 38.68 0.20 . 1 . . . . 170 ASN CB . 18198 1 119 . 1 1 33 33 ASN N N 15 119.775 0.04 . 1 . . . . 170 ASN N . 18198 1 120 . 1 1 34 34 THR H H 1 7.991 0.003 . 1 . . . . 171 THR H . 18198 1 121 . 1 1 34 34 THR CA C 13 62.675 0.20 . 1 . . . . 171 THR CA . 18198 1 122 . 1 1 34 34 THR CB C 13 69.632 0.20 . 1 . . . . 171 THR CB . 18198 1 123 . 1 1 34 34 THR N N 15 114.283 0.04 . 1 . . . . 171 THR N . 18198 1 124 . 1 1 35 35 ALA H H 1 8.087 0.003 . 1 . . . . 172 ALA H . 18198 1 125 . 1 1 35 35 ALA CA C 13 53.109 0.20 . 1 . . . . 172 ALA CA . 18198 1 126 . 1 1 35 35 ALA CB C 13 18.788 0.20 . 1 . . . . 172 ALA CB . 18198 1 127 . 1 1 35 35 ALA N N 15 124.806 0.04 . 1 . . . . 172 ALA N . 18198 1 128 . 1 1 36 36 HIS H H 1 8.058 0.003 . 1 . . . . 173 HIS H . 18198 1 129 . 1 1 36 36 HIS CA C 13 56.112 0.20 . 1 . . . . 173 HIS CA . 18198 1 130 . 1 1 36 36 HIS CB C 13 29.166 0.20 . 1 . . . . 173 HIS CB . 18198 1 131 . 1 1 36 36 HIS N N 15 117.224 0.04 . 1 . . . . 173 HIS N . 18198 1 132 . 1 1 37 37 ASN H H 1 8.102 0.003 . 1 . . . . 174 ASN H . 18198 1 133 . 1 1 37 37 ASN CA C 13 53.53 0.20 . 1 . . . . 174 ASN CA . 18198 1 134 . 1 1 37 37 ASN CB C 13 38.518 0.20 . 1 . . . . 174 ASN CB . 18198 1 135 . 1 1 37 37 ASN N N 15 118.83 0.04 . 1 . . . . 174 ASN N . 18198 1 136 . 1 1 38 38 LYS H H 1 8.114 0.003 . 1 . . . . 175 LYS H . 18198 1 137 . 1 1 38 38 LYS CA C 13 56.527 0.20 . 1 . . . . 175 LYS CA . 18198 1 138 . 1 1 38 38 LYS CB C 13 32.871 0.20 . 1 . . . . 175 LYS CB . 18198 1 139 . 1 1 38 38 LYS N N 15 121.265 0.04 . 1 . . . . 175 LYS N . 18198 1 140 . 1 1 39 39 ARG H H 1 8.168 0.003 . 1 . . . . 176 ARG H . 18198 1 141 . 1 1 39 39 ARG CA C 13 56.312 0.20 . 1 . . . . 176 ARG CA . 18198 1 142 . 1 1 39 39 ARG CB C 13 30.57 0.20 . 1 . . . . 176 ARG CB . 18198 1 143 . 1 1 39 39 ARG N N 15 122.077 0.04 . 1 . . . . 176 ARG N . 18198 1 144 . 1 1 40 40 ILE H H 1 8.068 0.003 . 1 . . . . 177 ILE H . 18198 1 145 . 1 1 40 40 ILE CA C 13 61.17 0.20 . 1 . . . . 177 ILE CA . 18198 1 146 . 1 1 40 40 ILE CB C 13 38.68 0.20 . 1 . . . . 177 ILE CB . 18198 1 147 . 1 1 40 40 ILE N N 15 121.809 0.04 . 1 . . . . 177 ILE N . 18198 1 148 . 1 1 41 41 SER H H 1 8.28 0.003 . 1 . . . . 178 SER H . 18198 1 149 . 1 1 41 41 SER CA C 13 58.268 0.20 . 1 . . . . 178 SER CA . 18198 1 150 . 1 1 41 41 SER CB C 13 63.778 0.20 . 1 . . . . 178 SER CB . 18198 1 151 . 1 1 41 41 SER N N 15 119.517 0.04 . 1 . . . . 178 SER N . 18198 1 152 . 1 1 42 42 THR H H 1 8.066 0.003 . 1 . . . . 179 THR H . 18198 1 153 . 1 1 42 42 THR CA C 13 61.944 0.20 . 1 . . . . 179 THR CA . 18198 1 154 . 1 1 42 42 THR CB C 13 69.532 0.20 . 1 . . . . 179 THR CB . 18198 1 155 . 1 1 42 42 THR N N 15 116.037 0.04 . 1 . . . . 179 THR N . 18198 1 156 . 1 1 43 43 LEU H H 1 8.052 0.003 . 1 . . . . 180 LEU H . 18198 1 157 . 1 1 43 43 LEU CA C 13 55.323 0.20 . 1 . . . . 180 LEU CA . 18198 1 158 . 1 1 43 43 LEU CB C 13 42.351 0.20 . 1 . . . . 180 LEU CB . 18198 1 159 . 1 1 43 43 LEU N N 15 123.991 0.04 . 1 . . . . 180 LEU N . 18198 1 160 . 1 1 44 44 THR H H 1 8.088 0.003 . 1 . . . . 181 THR H . 18198 1 161 . 1 1 44 44 THR CA C 13 61.937 0.20 . 1 . . . . 181 THR CA . 18198 1 162 . 1 1 44 44 THR CB C 13 69.745 0.20 . 1 . . . . 181 THR CB . 18198 1 163 . 1 1 44 44 THR N N 15 115.794 0.04 . 1 . . . . 181 THR N . 18198 1 164 . 1 1 45 45 ILE H H 1 8.106 0.003 . 1 . . . . 182 ILE H . 18198 1 165 . 1 1 45 45 ILE CA C 13 61.471 0.20 . 1 . . . . 182 ILE CA . 18198 1 166 . 1 1 45 45 ILE CB C 13 38.68 0.20 . 1 . . . . 182 ILE CB . 18198 1 167 . 1 1 45 45 ILE N N 15 123.313 0.04 . 1 . . . . 182 ILE N . 18198 1 168 . 1 1 46 46 GLU H H 1 8.398 0.003 . 1 . . . . 183 GLU H . 18198 1 169 . 1 1 46 46 GLU CA C 13 56.763 0.20 . 1 . . . . 183 GLU CA . 18198 1 170 . 1 1 46 46 GLU CB C 13 30.077 0.20 . 1 . . . . 183 GLU CB . 18198 1 171 . 1 1 46 46 GLU N N 15 124.657 0.04 . 1 . . . . 183 GLU N . 18198 1 172 . 1 1 47 47 GLU H H 1 8.283 0.003 . 1 . . . . 184 GLU H . 18198 1 173 . 1 1 47 47 GLU CA C 13 57 0.20 . 1 . . . . 184 GLU CA . 18198 1 174 . 1 1 47 47 GLU CB C 13 30.351 0.20 . 1 . . . . 184 GLU CB . 18198 1 175 . 1 1 47 47 GLU N N 15 122.036 0.04 . 1 . . . . 184 GLU N . 18198 1 176 . 1 1 48 48 GLY H H 1 8.317 0.003 . 1 . . . . 185 GLY H . 18198 1 177 . 1 1 48 48 GLY CA C 13 45.389 0.20 . 1 . . . . 185 GLY CA . 18198 1 178 . 1 1 48 48 GLY N N 15 109.247 0.04 . 1 . . . . 185 GLY N . 18198 1 179 . 1 1 49 49 ASN H H 1 8.098 0.003 . 1 . . . . 186 ASN H . 18198 1 180 . 1 1 49 49 ASN CA C 13 53.259 0.20 . 1 . . . . 186 ASN CA . 18198 1 181 . 1 1 49 49 ASN CB C 13 38.735 0.20 . 1 . . . . 186 ASN CB . 18198 1 182 . 1 1 49 49 ASN N N 15 118.36 0.04 . 1 . . . . 186 ASN N . 18198 1 183 . 1 1 50 50 LEU H H 1 8.142 0.003 . 1 . . . . 187 LEU H . 18198 1 184 . 1 1 50 50 LEU CA C 13 55.56 0.20 . 1 . . . . 187 LEU CA . 18198 1 185 . 1 1 50 50 LEU CB C 13 42.242 0.20 . 1 . . . . 187 LEU CB . 18198 1 186 . 1 1 50 50 LEU N N 15 122.332 0.04 . 1 . . . . 187 LEU N . 18198 1 187 . 1 1 51 51 ASP H H 1 8.203 0.003 . 1 . . . . 188 ASP H . 18198 1 188 . 1 1 51 51 ASP CA C 13 54.528 0.20 . 1 . . . . 188 ASP CA . 18198 1 189 . 1 1 51 51 ASP CB C 13 40.927 0.20 . 1 . . . . 188 ASP CB . 18198 1 190 . 1 1 51 51 ASP N N 15 120.686 0.04 . 1 . . . . 188 ASP N . 18198 1 191 . 1 1 52 52 ILE H H 1 7.735 0.003 . 1 . . . . 189 ILE H . 18198 1 192 . 1 1 52 52 ILE CA C 13 61.407 0.20 . 1 . . . . 189 ILE CA . 18198 1 193 . 1 1 52 52 ILE CB C 13 38.68 0.20 . 1 . . . . 189 ILE CB . 18198 1 194 . 1 1 52 52 ILE N N 15 119.687 0.04 . 1 . . . . 189 ILE N . 18198 1 195 . 1 1 53 53 GLN H H 1 8.201 0.003 . 1 . . . . 190 GLN H . 18198 1 196 . 1 1 53 53 GLN CA C 13 55.732 0.20 . 1 . . . . 190 GLN CA . 18198 1 197 . 1 1 53 53 GLN CB C 13 29.145 0.20 . 1 . . . . 190 GLN CB . 18198 1 198 . 1 1 53 53 GLN N N 15 122.533 0.04 . 1 . . . . 190 GLN N . 18198 1 199 . 1 1 54 54 ARG H H 1 8.078 0.003 . 1 . . . . 191 ARG H . 18198 1 200 . 1 1 54 54 ARG CA C 13 54.098 0.20 . 1 . . . . 191 ARG CA . 18198 1 201 . 1 1 54 54 ARG CB C 13 30.203 0.20 . 1 . . . . 191 ARG CB . 18198 1 202 . 1 1 54 54 ARG N N 15 122.793 0.04 . 1 . . . . 191 ARG N . 18198 1 203 . 1 1 55 55 PRO CA C 13 63.105 0.20 . 1 . . . . 192 PRO CA . 18198 1 204 . 1 1 55 55 PRO CB C 13 32.104 0.20 . 1 . . . . 192 PRO CB . 18198 1 205 . 1 1 56 56 LYS H H 1 8.347 0.003 . 1 . . . . 193 LYS H . 18198 1 206 . 1 1 56 56 LYS CA C 13 56.004 0.20 . 1 . . . . 193 LYS CA . 18198 1 207 . 1 1 56 56 LYS CB C 13 32.972 0.20 . 1 . . . . 193 LYS CB . 18198 1 208 . 1 1 56 56 LYS N N 15 121.71 0.04 . 1 . . . . 193 LYS N . 18198 1 209 . 1 1 57 57 ARG H H 1 8.255 0.003 . 1 . . . . 194 ARG H . 18198 1 210 . 1 1 57 57 ARG CA C 13 55.989 0.20 . 1 . . . . 194 ARG CA . 18198 1 211 . 1 1 57 57 ARG CB C 13 30.844 0.20 . 1 . . . . 194 ARG CB . 18198 1 212 . 1 1 57 57 ARG N N 15 122.244 0.04 . 1 . . . . 194 ARG N . 18198 1 213 . 1 1 58 58 LYS H H 1 8.363 0.003 . 1 . . . . 195 LYS H . 18198 1 214 . 1 1 58 58 LYS CA C 13 56.226 0.20 . 1 . . . . 195 LYS CA . 18198 1 215 . 1 1 58 58 LYS CB C 13 33.145 0.20 . 1 . . . . 195 LYS CB . 18198 1 216 . 1 1 58 58 LYS N N 15 123.396 0.04 . 1 . . . . 195 LYS N . 18198 1 217 . 1 1 59 59 ARG H H 1 8.365 0.003 . 1 . . . . 196 ARG H . 18198 1 218 . 1 1 59 59 ARG CA C 13 56.075 0.20 . 1 . . . . 196 ARG CA . 18198 1 219 . 1 1 59 59 ARG CB C 13 30.898 0.20 . 1 . . . . 196 ARG CB . 18198 1 220 . 1 1 59 59 ARG N N 15 123.108 0.04 . 1 . . . . 196 ARG N . 18198 1 221 . 1 1 60 60 LYS H H 1 8.457 0.003 . 1 . . . . 197 LYS H . 18198 1 222 . 1 1 60 60 LYS CA C 13 56.613 0.20 . 1 . . . . 197 LYS CA . 18198 1 223 . 1 1 60 60 LYS CB C 13 33.09 0.20 . 1 . . . . 197 LYS CB . 18198 1 224 . 1 1 60 60 LYS N N 15 123.303 0.04 . 1 . . . . 197 LYS N . 18198 1 225 . 1 1 61 61 ASN CA C 13 53.152 0.20 . 1 . . . . 198 ASN CA . 18198 1 226 . 1 1 61 61 ASN CB C 13 38.79 0.20 . 1 . . . . 198 ASN CB . 18198 1 227 . 1 1 62 62 SER H H 1 8.206 0.003 . 1 . . . . 199 SER H . 18198 1 228 . 1 1 62 62 SER CA C 13 58.548 0.20 . 1 . . . . 199 SER CA . 18198 1 229 . 1 1 62 62 SER CB C 13 63.723 0.20 . 1 . . . . 199 SER CB . 18198 1 230 . 1 1 62 62 SER N N 15 116.256 0.04 . 1 . . . . 199 SER N . 18198 1 231 . 1 1 63 63 ARG H H 1 8.277 0.003 . 1 . . . . 200 ARG H . 18198 1 232 . 1 1 63 63 ARG CA C 13 56.226 0.20 . 1 . . . . 200 ARG CA . 18198 1 233 . 1 1 63 63 ARG CB C 13 30.734 0.20 . 1 . . . . 200 ARG CB . 18198 1 234 . 1 1 63 63 ARG N N 15 122.452 0.04 . 1 . . . . 200 ARG N . 18198 1 235 . 1 1 64 64 VAL H H 1 8.007 0.003 . 1 . . . . 201 VAL H . 18198 1 236 . 1 1 64 64 VAL CA C 13 62.352 0.20 . 1 . . . . 201 VAL CA . 18198 1 237 . 1 1 64 64 VAL CB C 13 32.707 0.20 . 1 . . . . 201 VAL CB . 18198 1 238 . 1 1 64 64 VAL N N 15 120.234 0.04 . 1 . . . . 201 VAL N . 18198 1 239 . 1 1 65 65 THR H H 1 7.95 0.003 . 1 . . . . 202 THR H . 18198 1 240 . 1 1 65 65 THR CA C 13 61.407 0.20 . 1 . . . . 202 THR CA . 18198 1 241 . 1 1 65 65 THR CB C 13 69.806 0.20 . 1 . . . . 202 THR CB . 18198 1 242 . 1 1 65 65 THR N N 15 116.948 0.04 . 1 . . . . 202 THR N . 18198 1 243 . 1 1 66 66 PHE H H 1 8.187 0.003 . 1 . . . . 203 PHE H . 18198 1 244 . 1 1 66 66 PHE CA C 13 57.531 0.20 . 1 . . . . 203 PHE CA . 18198 1 245 . 1 1 66 66 PHE CB C 13 39.776 0.20 . 1 . . . . 203 PHE CB . 18198 1 246 . 1 1 66 66 PHE N N 15 122.196 0.04 . 1 . . . . 203 PHE N . 18198 1 247 . 1 1 67 67 SER H H 1 8.194 0.003 . 1 . . . . 204 SER H . 18198 1 248 . 1 1 67 67 SER CA C 13 57.847 0.20 . 1 . . . . 204 SER CA . 18198 1 249 . 1 1 67 67 SER CB C 13 64.094 0.20 . 1 . . . . 204 SER CB . 18198 1 250 . 1 1 67 67 SER N N 15 117.442 0.04 . 1 . . . . 204 SER N . 18198 1 251 . 1 1 68 68 GLU H H 1 8.517 0.003 . 1 . . . . 205 GLU H . 18198 1 252 . 1 1 68 68 GLU CA C 13 57.086 0.20 . 1 . . . . 205 GLU CA . 18198 1 253 . 1 1 68 68 GLU CB C 13 29.967 0.20 . 1 . . . . 205 GLU CB . 18198 1 254 . 1 1 68 68 GLU N N 15 122.858 0.04 . 1 . . . . 205 GLU N . 18198 1 255 . 1 1 69 69 ASP H H 1 8.111 0.003 . 1 . . . . 206 ASP H . 18198 1 256 . 1 1 69 69 ASP CA C 13 54.571 0.20 . 1 . . . . 206 ASP CA . 18198 1 257 . 1 1 69 69 ASP CB C 13 41.146 0.20 . 1 . . . . 206 ASP CB . 18198 1 258 . 1 1 69 69 ASP N N 15 119.853 0.04 . 1 . . . . 206 ASP N . 18198 1 259 . 1 1 70 70 ASP H H 1 7.98 0.003 . 1 . . . . 207 ASP H . 18198 1 260 . 1 1 70 70 ASP CA C 13 54.592 0.20 . 1 . . . . 207 ASP CA . 18198 1 261 . 1 1 70 70 ASP CB C 13 41.146 0.20 . 1 . . . . 207 ASP CB . 18198 1 262 . 1 1 70 70 ASP N N 15 120.159 0.04 . 1 . . . . 207 ASP N . 18198 1 263 . 1 1 71 71 GLU H H 1 8.091 0.003 . 1 . . . . 208 GLU H . 18198 1 264 . 1 1 71 71 GLU CA C 13 56.419 0.20 . 1 . . . . 208 GLU CA . 18198 1 265 . 1 1 71 71 GLU CB C 13 30.405 0.20 . 1 . . . . 208 GLU CB . 18198 1 266 . 1 1 71 71 GLU N N 15 120.523 0.04 . 1 . . . . 208 GLU N . 18198 1 267 . 1 1 72 72 ILE H H 1 8.066 0.003 . 1 . . . . 209 ILE H . 18198 1 268 . 1 1 72 72 ILE CA C 13 60.977 0.20 . 1 . . . . 209 ILE CA . 18198 1 269 . 1 1 72 72 ILE CB C 13 38.296 0.20 . 1 . . . . 209 ILE CB . 18198 1 270 . 1 1 72 72 ILE N N 15 122.793 0.04 . 1 . . . . 209 ILE N . 18198 1 271 . 1 1 73 73 ILE H H 1 8.13 0.003 . 1 . . . . 210 ILE H . 18198 1 272 . 1 1 73 73 ILE CA C 13 60.676 0.20 . 1 . . . . 210 ILE CA . 18198 1 273 . 1 1 73 73 ILE CB C 13 38.516 0.20 . 1 . . . . 210 ILE CB . 18198 1 274 . 1 1 73 73 ILE N N 15 126.021 0.04 . 1 . . . . 210 ILE N . 18198 1 275 . 1 1 74 74 ASN H H 1 8.588 0.003 . 1 . . . . 211 ASN H . 18198 1 276 . 1 1 74 74 ASN CA C 13 50.981 0.20 . 1 . . . . 211 ASN CA . 18198 1 277 . 1 1 74 74 ASN CB C 13 38.657 0.20 . 1 . . . . 211 ASN CB . 18198 1 278 . 1 1 74 74 ASN N N 15 124.725 0.04 . 1 . . . . 211 ASN N . 18198 1 279 . 1 1 75 75 PRO CA C 13 63.922 0.20 . 1 . . . . 212 PRO CA . 18198 1 280 . 1 1 75 75 PRO CB C 13 32.049 0.20 . 1 . . . . 212 PRO CB . 18198 1 281 . 1 1 76 76 GLU H H 1 8.395 0.003 . 1 . . . . 213 GLU H . 18198 1 282 . 1 1 76 76 GLU CA C 13 56.957 0.20 . 1 . . . . 213 GLU CA . 18198 1 283 . 1 1 76 76 GLU CB C 13 29.748 0.20 . 1 . . . . 213 GLU CB . 18198 1 284 . 1 1 76 76 GLU N N 15 118.389 0.04 . 1 . . . . 213 GLU N . 18198 1 285 . 1 1 77 77 ASP H H 1 8.007 0.003 . 1 . . . . 214 ASP H . 18198 1 286 . 1 1 77 77 ASP CA C 13 54.442 0.20 . 1 . . . . 214 ASP CA . 18198 1 287 . 1 1 77 77 ASP CB C 13 41.146 0.20 . 1 . . . . 214 ASP CB . 18198 1 288 . 1 1 77 77 ASP N N 15 120.442 0.04 . 1 . . . . 214 ASP N . 18198 1 289 . 1 1 78 78 VAL H H 1 7.629 0.003 . 1 . . . . 215 VAL H . 18198 1 290 . 1 1 78 78 VAL CA C 13 61.965 0.20 . 1 . . . . 215 VAL CA . 18198 1 291 . 1 1 78 78 VAL CB C 13 32.871 0.20 . 1 . . . . 215 VAL CB . 18198 1 292 . 1 1 78 78 VAL N N 15 119.154 0.04 . 1 . . . . 215 VAL N . 18198 1 293 . 1 1 79 79 ASP H H 1 8.276 0.003 . 1 . . . . 216 ASP H . 18198 1 294 . 1 1 79 79 ASP CA C 13 51.712 0.20 . 1 . . . . 216 ASP CA . 18198 1 295 . 1 1 79 79 ASP CB C 13 41.584 0.20 . 1 . . . . 216 ASP CB . 18198 1 296 . 1 1 79 79 ASP N N 15 125.294 0.04 . 1 . . . . 216 ASP N . 18198 1 297 . 1 1 80 80 PRO CA C 13 63.833 0.20 . 1 . . . . 217 PRO CA . 18198 1 298 . 1 1 80 80 PRO CB C 13 32.049 0.20 . 1 . . . . 217 PRO CB . 18198 1 299 . 1 1 81 81 SER H H 1 8.453 0.003 . 1 . . . . 218 SER H . 18198 1 300 . 1 1 81 81 SER CA C 13 59.73 0.20 . 1 . . . . 218 SER CA . 18198 1 301 . 1 1 81 81 SER CB C 13 63.394 0.20 . 1 . . . . 218 SER CB . 18198 1 302 . 1 1 81 81 SER N N 15 115.223 0.04 . 1 . . . . 218 SER N . 18198 1 303 . 1 1 82 82 VAL H H 1 7.545 0.003 . 1 . . . . 219 VAL H . 18198 1 304 . 1 1 82 82 VAL CA C 13 62.911 0.20 . 1 . . . . 219 VAL CA . 18198 1 305 . 1 1 82 82 VAL CB C 13 32.378 0.20 . 1 . . . . 219 VAL CB . 18198 1 306 . 1 1 82 82 VAL N N 15 120.458 0.04 . 1 . . . . 219 VAL N . 18198 1 307 . 1 1 83 83 GLY H H 1 8.19 0.003 . 1 . . . . 220 GLY H . 18198 1 308 . 1 1 83 83 GLY CA C 13 45.497 0.20 . 1 . . . . 220 GLY CA . 18198 1 309 . 1 1 83 83 GLY N N 15 110.91 0.04 . 1 . . . . 220 GLY N . 18198 1 310 . 1 1 84 84 ARG H H 1 7.838 0.003 . 1 . . . . 221 ARG H . 18198 1 311 . 1 1 84 84 ARG CA C 13 56.355 0.20 . 1 . . . . 221 ARG CA . 18198 1 312 . 1 1 84 84 ARG CB C 13 30.625 0.20 . 1 . . . . 221 ARG CB . 18198 1 313 . 1 1 84 84 ARG N N 15 120.118 0.04 . 1 . . . . 221 ARG N . 18198 1 314 . 1 1 85 85 PHE H H 1 8.094 0.003 . 1 . . . . 222 PHE H . 18198 1 315 . 1 1 85 85 PHE CA C 13 57.535 0.20 . 1 . . . . 222 PHE CA . 18198 1 316 . 1 1 85 85 PHE CB C 13 39.337 0.20 . 1 . . . . 222 PHE CB . 18198 1 317 . 1 1 85 85 PHE N N 15 120.327 0.04 . 1 . . . . 222 PHE N . 18198 1 318 . 1 1 86 86 ARG H H 1 7.998 0.003 . 1 . . . . 223 ARG H . 18198 1 319 . 1 1 86 86 ARG CA C 13 56.011 0.20 . 1 . . . . 223 ARG CA . 18198 1 320 . 1 1 86 86 ARG CB C 13 30.898 0.20 . 1 . . . . 223 ARG CB . 18198 1 321 . 1 1 86 86 ARG N N 15 121.827 0.04 . 1 . . . . 223 ARG N . 18198 1 322 . 1 1 87 87 ASN H H 1 8.307 0.003 . 1 . . . . 224 ASN H . 18198 1 323 . 1 1 87 87 ASN CA C 13 53.431 0.20 . 1 . . . . 224 ASN CA . 18198 1 324 . 1 1 87 87 ASN CB C 13 38.735 0.20 . 1 . . . . 224 ASN CB . 18198 1 325 . 1 1 87 87 ASN N N 15 119.782 0.04 . 1 . . . . 224 ASN N . 18198 1 326 . 1 1 88 88 MET H H 1 7.768 0.003 . 1 . . . . 225 MET H . 18198 1 327 . 1 1 88 88 MET CA C 13 57.064 0.20 . 1 . . . . 225 MET CA . 18198 1 328 . 1 1 88 88 MET CB C 13 33.748 0.20 . 1 . . . . 225 MET CB . 18198 1 329 . 1 1 88 88 MET N N 15 125.351 0.04 . 1 . . . . 225 MET N . 18198 1 stop_ save_