################################### # 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_pdx1_apo _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_pdx1_apo _Assigned_chem_shift_list.Entry_ID 19227 _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 1H-15N HSQC' . . . 19227 1 2 '3D CBCA(CO)NH' . . . 19227 1 3 '3D HNCO' . . . 19227 1 4 '3D HNCACB' . . . 19227 1 5 '3D HN(CA)CO' . . . 19227 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 10 10 ALA C C 13 176.30 0.10 . 1 . . . . 152 ALA C . 19227 1 2 . 1 1 10 10 ALA CA C 13 52.11 0.10 . 1 . . . . 152 ALA CA . 19227 1 3 . 1 1 10 10 ALA CB C 13 19.63 0.10 . 1 . . . . 152 ALA CB . 19227 1 4 . 1 1 11 11 TYR H H 1 7.80 0.05 . 1 . . . . 153 TYR H . 19227 1 5 . 1 1 11 11 TYR C C 13 176.60 0.10 . 1 . . . . 153 TYR C . 19227 1 6 . 1 1 11 11 TYR CA C 13 56.95 0.10 . 1 . . . . 153 TYR CA . 19227 1 7 . 1 1 11 11 TYR CB C 13 40.81 0.10 . 1 . . . . 153 TYR CB . 19227 1 8 . 1 1 11 11 TYR N N 15 117.60 0.10 . 1 . . . . 153 TYR N . 19227 1 9 . 1 1 12 12 THR H H 1 9.05 0.05 . 1 . . . . 154 THR H . 19227 1 10 . 1 1 12 12 THR C C 13 175.00 0.10 . 1 . . . . 154 THR C . 19227 1 11 . 1 1 12 12 THR CA C 13 60.44 0.10 . 1 . . . . 154 THR CA . 19227 1 12 . 1 1 12 12 THR CB C 13 70.98 0.10 . 1 . . . . 154 THR CB . 19227 1 13 . 1 1 12 12 THR N N 15 114.20 0.10 . 1 . . . . 154 THR N . 19227 1 14 . 1 1 13 13 ARG C C 13 178.30 0.10 . 1 . . . . 155 ARG C . 19227 1 15 . 1 1 13 13 ARG CA C 13 59.85 0.10 . 1 . . . . 155 ARG CA . 19227 1 16 . 1 1 13 13 ARG CB C 13 29.38 0.10 . 1 . . . . 155 ARG CB . 19227 1 17 . 1 1 14 14 ALA H H 1 8.29 0.05 . 1 . . . . 156 ALA H . 19227 1 18 . 1 1 14 14 ALA C C 13 180.90 0.10 . 1 . . . . 156 ALA C . 19227 1 19 . 1 1 14 14 ALA CA C 13 55.18 0.10 . 1 . . . . 156 ALA CA . 19227 1 20 . 1 1 14 14 ALA CB C 13 18.34 0.10 . 1 . . . . 156 ALA CB . 19227 1 21 . 1 1 14 14 ALA N N 15 119.20 0.10 . 1 . . . . 156 ALA N . 19227 1 22 . 1 1 15 15 GLN H H 1 7.61 0.05 . 1 . . . . 157 GLN H . 19227 1 23 . 1 1 15 15 GLN C C 13 177.60 0.10 . 1 . . . . 157 GLN C . 19227 1 24 . 1 1 15 15 GLN CA C 13 58.87 0.10 . 1 . . . . 157 GLN CA . 19227 1 25 . 1 1 15 15 GLN CB C 13 27.83 0.10 . 1 . . . . 157 GLN CB . 19227 1 26 . 1 1 15 15 GLN N N 15 116.60 0.10 . 1 . . . . 157 GLN N . 19227 1 27 . 1 1 16 16 LEU H H 1 8.23 0.05 . 1 . . . . 158 LEU H . 19227 1 28 . 1 1 16 16 LEU C C 13 179.10 0.10 . 1 . . . . 158 LEU C . 19227 1 29 . 1 1 16 16 LEU CA C 13 57.90 0.10 . 1 . . . . 158 LEU CA . 19227 1 30 . 1 1 16 16 LEU CB C 13 41.46 0.10 . 1 . . . . 158 LEU CB . 19227 1 31 . 1 1 16 16 LEU N N 15 117.70 0.10 . 1 . . . . 158 LEU N . 19227 1 32 . 1 1 17 17 LEU H H 1 8.08 0.05 . 1 . . . . 159 LEU H . 19227 1 33 . 1 1 17 17 LEU C C 13 180.20 0.10 . 1 . . . . 159 LEU C . 19227 1 34 . 1 1 17 17 LEU CA C 13 58.28 0.10 . 1 . . . . 159 LEU CA . 19227 1 35 . 1 1 17 17 LEU CB C 13 41.98 0.10 . 1 . . . . 159 LEU CB . 19227 1 36 . 1 1 17 17 LEU N N 15 118.50 0.10 . 1 . . . . 159 LEU N . 19227 1 37 . 1 1 18 18 GLU H H 1 7.18 0.05 . 1 . . . . 160 GLU H . 19227 1 38 . 1 1 18 18 GLU C C 13 179.40 0.10 . 1 . . . . 160 GLU C . 19227 1 39 . 1 1 18 18 GLU CA C 13 58.37 0.10 . 1 . . . . 160 GLU CA . 19227 1 40 . 1 1 18 18 GLU CB C 13 29.64 0.10 . 1 . . . . 160 GLU CB . 19227 1 41 . 1 1 18 18 GLU N N 15 117.70 0.10 . 1 . . . . 160 GLU N . 19227 1 42 . 1 1 19 19 LEU H H 1 7.92 0.05 . 1 . . . . 161 LEU H . 19227 1 43 . 1 1 19 19 LEU C C 13 177.50 0.10 . 1 . . . . 161 LEU C . 19227 1 44 . 1 1 19 19 LEU CA C 13 58.22 0.10 . 1 . . . . 161 LEU CA . 19227 1 45 . 1 1 19 19 LEU CB C 13 37.63 0.10 . 1 . . . . 161 LEU CB . 19227 1 46 . 1 1 19 19 LEU N N 15 122.00 0.10 . 1 . . . . 161 LEU N . 19227 1 47 . 1 1 20 20 GLU H H 1 8.06 0.05 . 1 . . . . 162 GLU H . 19227 1 48 . 1 1 20 20 GLU C C 13 179.40 0.10 . 1 . . . . 162 GLU C . 19227 1 49 . 1 1 20 20 GLU CA C 13 59.06 0.10 . 1 . . . . 162 GLU CA . 19227 1 50 . 1 1 20 20 GLU CB C 13 28.93 0.10 . 1 . . . . 162 GLU CB . 19227 1 51 . 1 1 20 20 GLU N N 15 118.10 0.10 . 1 . . . . 162 GLU N . 19227 1 52 . 1 1 21 21 LYS H H 1 7.52 0.05 . 1 . . . . 163 LYS H . 19227 1 53 . 1 1 21 21 LYS C C 13 178.80 0.10 . 1 . . . . 163 LYS C . 19227 1 54 . 1 1 21 21 LYS CA C 13 59.82 0.10 . 1 . . . . 163 LYS CA . 19227 1 55 . 1 1 21 21 LYS CB C 13 32.30 0.10 . 1 . . . . 163 LYS CB . 19227 1 56 . 1 1 21 21 LYS N N 15 119.40 0.10 . 1 . . . . 163 LYS N . 19227 1 57 . 1 1 22 22 GLU H H 1 7.80 0.05 . 1 . . . . 164 GLU H . 19227 1 58 . 1 1 22 22 GLU C C 13 178.40 0.10 . 1 . . . . 164 GLU C . 19227 1 59 . 1 1 22 22 GLU CA C 13 59.23 0.10 . 1 . . . . 164 GLU CA . 19227 1 60 . 1 1 22 22 GLU CB C 13 28.59 0.10 . 1 . . . . 164 GLU CB . 19227 1 61 . 1 1 22 22 GLU N N 15 120.20 0.10 . 1 . . . . 164 GLU N . 19227 1 62 . 1 1 23 23 PHE H H 1 8.64 0.05 . 1 . . . . 165 PHE H . 19227 1 63 . 1 1 23 23 PHE C C 13 176.10 0.10 . 1 . . . . 165 PHE C . 19227 1 64 . 1 1 23 23 PHE CA C 13 60.62 0.10 . 1 . . . . 165 PHE CA . 19227 1 65 . 1 1 23 23 PHE CB C 13 39.39 0.10 . 1 . . . . 165 PHE CB . 19227 1 66 . 1 1 23 23 PHE N N 15 120.60 0.10 . 1 . . . . 165 PHE N . 19227 1 67 . 1 1 24 24 LEU H H 1 7.80 0.05 . 1 . . . . 166 LEU H . 19227 1 68 . 1 1 24 24 LEU C C 13 178.50 0.10 . 1 . . . . 166 LEU C . 19227 1 69 . 1 1 24 24 LEU CA C 13 57.25 0.10 . 1 . . . . 166 LEU CA . 19227 1 70 . 1 1 24 24 LEU CB C 13 41.72 0.10 . 1 . . . . 166 LEU CB . 19227 1 71 . 1 1 24 24 LEU N N 15 116.60 0.10 . 1 . . . . 166 LEU N . 19227 1 72 . 1 1 25 25 PHE H H 1 7.29 0.05 . 1 . . . . 167 PHE H . 19227 1 73 . 1 1 25 25 PHE C C 13 176.10 0.10 . 1 . . . . 167 PHE C . 19227 1 74 . 1 1 25 25 PHE CA C 13 59.24 0.10 . 1 . . . . 167 PHE CA . 19227 1 75 . 1 1 25 25 PHE CB C 13 40.03 0.10 . 1 . . . . 167 PHE CB . 19227 1 76 . 1 1 25 25 PHE N N 15 116.80 0.10 . 1 . . . . 167 PHE N . 19227 1 77 . 1 1 26 26 ASN H H 1 8.46 0.05 . 1 . . . . 168 ASN H . 19227 1 78 . 1 1 26 26 ASN C C 13 172.40 0.10 . 1 . . . . 168 ASN C . 19227 1 79 . 1 1 26 26 ASN CA C 13 52.85 0.10 . 1 . . . . 168 ASN CA . 19227 1 80 . 1 1 26 26 ASN CB C 13 40.54 0.10 . 1 . . . . 168 ASN CB . 19227 1 81 . 1 1 26 26 ASN N N 15 118.50 0.10 . 1 . . . . 168 ASN N . 19227 1 82 . 1 1 27 27 LYS H H 1 8.00 0.05 . 1 . . . . 169 LYS H . 19227 1 83 . 1 1 27 27 LYS C C 13 175.20 0.10 . 1 . . . . 169 LYS C . 19227 1 84 . 1 1 27 27 LYS CA C 13 57.09 0.10 . 1 . . . . 169 LYS CA . 19227 1 85 . 1 1 27 27 LYS CB C 13 32.03 0.10 . 1 . . . . 169 LYS CB . 19227 1 86 . 1 1 27 27 LYS N N 15 120.90 0.10 . 1 . . . . 169 LYS N . 19227 1 87 . 1 1 28 28 TYR H H 1 7.60 0.05 . 1 . . . . 170 TYR H . 19227 1 88 . 1 1 28 28 TYR C C 13 175.00 0.10 . 1 . . . . 170 TYR C . 19227 1 89 . 1 1 28 28 TYR CA C 13 56.49 0.10 . 1 . . . . 170 TYR CA . 19227 1 90 . 1 1 28 28 TYR CB C 13 39.88 0.10 . 1 . . . . 170 TYR CB . 19227 1 91 . 1 1 28 28 TYR N N 15 115.00 0.10 . 1 . . . . 170 TYR N . 19227 1 92 . 1 1 29 29 ILE H H 1 7.41 0.05 . 1 . . . . 171 ILE H . 19227 1 93 . 1 1 29 29 ILE C C 13 174.70 0.10 . 1 . . . . 171 ILE C . 19227 1 94 . 1 1 29 29 ILE CA C 13 59.58 0.10 . 1 . . . . 171 ILE CA . 19227 1 95 . 1 1 29 29 ILE CB C 13 40.55 0.10 . 1 . . . . 171 ILE CB . 19227 1 96 . 1 1 29 29 ILE N N 15 117.50 0.10 . 1 . . . . 171 ILE N . 19227 1 97 . 1 1 30 30 SER H H 1 8.46 0.05 . 1 . . . . 172 SER H . 19227 1 98 . 1 1 30 30 SER CA C 13 57.20 0.10 . 1 . . . . 172 SER CA . 19227 1 99 . 1 1 30 30 SER CB C 13 65.00 0.10 . 1 . . . . 172 SER CB . 19227 1 100 . 1 1 30 30 SER N N 15 121.60 0.10 . 1 . . . . 172 SER N . 19227 1 101 . 1 1 32 32 PRO C C 13 179.60 0.10 . 1 . . . . 174 PRO C . 19227 1 102 . 1 1 32 32 PRO CA C 13 66.18 0.10 . 1 . . . . 174 PRO CA . 19227 1 103 . 1 1 32 32 PRO CB C 13 30.60 0.10 . 1 . . . . 174 PRO CB . 19227 1 104 . 1 1 33 33 ARG H H 1 7.29 0.05 . 1 . . . . 175 ARG H . 19227 1 105 . 1 1 33 33 ARG C C 13 177.50 0.10 . 1 . . . . 175 ARG C . 19227 1 106 . 1 1 33 33 ARG CA C 13 56.97 0.10 . 1 . . . . 175 ARG CA . 19227 1 107 . 1 1 33 33 ARG CB C 13 29.29 0.10 . 1 . . . . 175 ARG CB . 19227 1 108 . 1 1 33 33 ARG N N 15 118.00 0.10 . 1 . . . . 175 ARG N . 19227 1 109 . 1 1 34 34 ARG H H 1 8.43 0.05 . 1 . . . . 176 ARG H . 19227 1 110 . 1 1 34 34 ARG C C 13 178.00 0.10 . 1 . . . . 176 ARG C . 19227 1 111 . 1 1 34 34 ARG CA C 13 60.96 0.10 . 1 . . . . 176 ARG CA . 19227 1 112 . 1 1 34 34 ARG CB C 13 31.17 0.10 . 1 . . . . 176 ARG CB . 19227 1 113 . 1 1 34 34 ARG N N 15 121.00 0.10 . 1 . . . . 176 ARG N . 19227 1 114 . 1 1 35 35 VAL H H 1 8.09 0.05 . 1 . . . . 177 VAL H . 19227 1 115 . 1 1 35 35 VAL C C 13 177.70 0.10 . 1 . . . . 177 VAL C . 19227 1 116 . 1 1 35 35 VAL CA C 13 66.74 0.10 . 1 . . . . 177 VAL CA . 19227 1 117 . 1 1 35 35 VAL CB C 13 31.68 0.10 . 1 . . . . 177 VAL CB . 19227 1 118 . 1 1 35 35 VAL N N 15 118.30 0.10 . 1 . . . . 177 VAL N . 19227 1 119 . 1 1 36 36 GLU H H 1 7.64 0.05 . 1 . . . . 178 GLU H . 19227 1 120 . 1 1 36 36 GLU C C 13 180.00 0.10 . 1 . . . . 178 GLU C . 19227 1 121 . 1 1 36 36 GLU CA C 13 59.59 0.10 . 1 . . . . 178 GLU CA . 19227 1 122 . 1 1 36 36 GLU CB C 13 30.38 0.10 . 1 . . . . 178 GLU CB . 19227 1 123 . 1 1 36 36 GLU N N 15 119.20 0.10 . 1 . . . . 178 GLU N . 19227 1 124 . 1 1 37 37 LEU H H 1 8.59 0.05 . 1 . . . . 179 LEU H . 19227 1 125 . 1 1 37 37 LEU C C 13 177.90 0.10 . 1 . . . . 179 LEU C . 19227 1 126 . 1 1 37 37 LEU CA C 13 57.64 0.10 . 1 . . . . 179 LEU CA . 19227 1 127 . 1 1 37 37 LEU CB C 13 42.88 0.10 . 1 . . . . 179 LEU CB . 19227 1 128 . 1 1 37 37 LEU N N 15 119.80 0.10 . 1 . . . . 179 LEU N . 19227 1 129 . 1 1 38 38 ALA H H 1 8.26 0.05 . 1 . . . . 180 ALA H . 19227 1 130 . 1 1 38 38 ALA C C 13 180.00 0.10 . 1 . . . . 180 ALA C . 19227 1 131 . 1 1 38 38 ALA CA C 13 56.40 0.10 . 1 . . . . 180 ALA CA . 19227 1 132 . 1 1 38 38 ALA CB C 13 17.53 0.10 . 1 . . . . 180 ALA CB . 19227 1 133 . 1 1 38 38 ALA N N 15 122.70 0.10 . 1 . . . . 180 ALA N . 19227 1 134 . 1 1 39 39 VAL H H 1 7.80 0.05 . 1 . . . . 181 VAL H . 19227 1 135 . 1 1 39 39 VAL C C 13 179.60 0.10 . 1 . . . . 181 VAL C . 19227 1 136 . 1 1 39 39 VAL CA C 13 65.89 0.10 . 1 . . . . 181 VAL CA . 19227 1 137 . 1 1 39 39 VAL CB C 13 31.91 0.10 . 1 . . . . 181 VAL CB . 19227 1 138 . 1 1 39 39 VAL N N 15 116.70 0.10 . 1 . . . . 181 VAL N . 19227 1 139 . 1 1 40 40 MET H H 1 7.97 0.05 . 1 . . . . 182 MET H . 19227 1 140 . 1 1 40 40 MET C C 13 177.90 0.10 . 1 . . . . 182 MET C . 19227 1 141 . 1 1 40 40 MET CA C 13 58.94 0.10 . 1 . . . . 182 MET CA . 19227 1 142 . 1 1 40 40 MET CB C 13 33.81 0.10 . 1 . . . . 182 MET CB . 19227 1 143 . 1 1 40 40 MET N N 15 119.40 0.10 . 1 . . . . 182 MET N . 19227 1 144 . 1 1 41 41 LEU H H 1 8.24 0.05 . 1 . . . . 183 LEU H . 19227 1 145 . 1 1 41 41 LEU C C 13 176.30 0.10 . 1 . . . . 183 LEU C . 19227 1 146 . 1 1 41 41 LEU CA C 13 54.37 0.10 . 1 . . . . 183 LEU CA . 19227 1 147 . 1 1 41 41 LEU CB C 13 42.50 0.10 . 1 . . . . 183 LEU CB . 19227 1 148 . 1 1 41 41 LEU N N 15 114.10 0.10 . 1 . . . . 183 LEU N . 19227 1 149 . 1 1 42 42 ASN H H 1 7.84 0.05 . 1 . . . . 184 ASN H . 19227 1 150 . 1 1 42 42 ASN C C 13 174.00 0.10 . 1 . . . . 184 ASN C . 19227 1 151 . 1 1 42 42 ASN CA C 13 54.47 0.10 . 1 . . . . 184 ASN CA . 19227 1 152 . 1 1 42 42 ASN CB C 13 36.91 0.10 . 1 . . . . 184 ASN CB . 19227 1 153 . 1 1 42 42 ASN N N 15 117.50 0.10 . 1 . . . . 184 ASN N . 19227 1 154 . 1 1 43 43 LEU H H 1 8.39 0.05 . 1 . . . . 185 LEU H . 19227 1 155 . 1 1 43 43 LEU C C 13 175.60 0.10 . 1 . . . . 185 LEU C . 19227 1 156 . 1 1 43 43 LEU CA C 13 52.64 0.10 . 1 . . . . 185 LEU CA . 19227 1 157 . 1 1 43 43 LEU CB C 13 47.40 0.10 . 1 . . . . 185 LEU CB . 19227 1 158 . 1 1 43 43 LEU N N 15 119.00 0.10 . 1 . . . . 185 LEU N . 19227 1 159 . 1 1 44 44 THR H H 1 7.89 0.05 . 1 . . . . 186 THR H . 19227 1 160 . 1 1 44 44 THR C C 13 176.20 0.10 . 1 . . . . 186 THR C . 19227 1 161 . 1 1 44 44 THR CA C 13 60.98 0.10 . 1 . . . . 186 THR CA . 19227 1 162 . 1 1 44 44 THR CB C 13 71.80 0.10 . 1 . . . . 186 THR CB . 19227 1 163 . 1 1 44 44 THR N N 15 109.40 0.10 . 1 . . . . 186 THR N . 19227 1 164 . 1 1 45 45 GLU C C 13 178.30 0.10 . 1 . . . . 187 GLU C . 19227 1 165 . 1 1 45 45 GLU CA C 13 61.09 0.10 . 1 . . . . 187 GLU CA . 19227 1 166 . 1 1 45 45 GLU CB C 13 29.33 0.10 . 1 . . . . 187 GLU CB . 19227 1 167 . 1 1 46 46 ARG H H 1 8.14 0.05 . 1 . . . . 188 ARG H . 19227 1 168 . 1 1 46 46 ARG C C 13 177.90 0.10 . 1 . . . . 188 ARG C . 19227 1 169 . 1 1 46 46 ARG CA C 13 59.60 0.10 . 1 . . . . 188 ARG CA . 19227 1 170 . 1 1 46 46 ARG CB C 13 29.68 0.10 . 1 . . . . 188 ARG CB . 19227 1 171 . 1 1 46 46 ARG N N 15 119.30 0.10 . 1 . . . . 188 ARG N . 19227 1 172 . 1 1 47 47 HIS H H 1 7.93 0.05 . 1 . . . . 189 HIS H . 19227 1 173 . 1 1 47 47 HIS C C 13 179.80 0.10 . 1 . . . . 189 HIS C . 19227 1 174 . 1 1 47 47 HIS CA C 13 61.18 0.10 . 1 . . . . 189 HIS CA . 19227 1 175 . 1 1 47 47 HIS CB C 13 31.77 0.10 . 1 . . . . 189 HIS CB . 19227 1 176 . 1 1 47 47 HIS N N 15 117.10 0.10 . 1 . . . . 189 HIS N . 19227 1 177 . 1 1 48 48 ILE H H 1 7.80 0.05 . 1 . . . . 190 ILE H . 19227 1 178 . 1 1 48 48 ILE C C 13 177.10 0.10 . 1 . . . . 190 ILE C . 19227 1 179 . 1 1 48 48 ILE CA C 13 64.45 0.10 . 1 . . . . 190 ILE CA . 19227 1 180 . 1 1 48 48 ILE CB C 13 36.91 0.10 . 1 . . . . 190 ILE CB . 19227 1 181 . 1 1 48 48 ILE N N 15 119.50 0.10 . 1 . . . . 190 ILE N . 19227 1 182 . 1 1 49 49 LYS H H 1 8.56 0.05 . 1 . . . . 191 LYS H . 19227 1 183 . 1 1 49 49 LYS C C 13 179.90 0.10 . 1 . . . . 191 LYS C . 19227 1 184 . 1 1 49 49 LYS CA C 13 60.26 0.10 . 1 . . . . 191 LYS CA . 19227 1 185 . 1 1 49 49 LYS CB C 13 33.20 0.10 . 1 . . . . 191 LYS CB . 19227 1 186 . 1 1 49 49 LYS N N 15 121.40 0.10 . 1 . . . . 191 LYS N . 19227 1 187 . 1 1 50 50 ILE H H 1 8.49 0.05 . 1 . . . . 192 ILE H . 19227 1 188 . 1 1 50 50 ILE C C 13 177.50 0.10 . 1 . . . . 192 ILE C . 19227 1 189 . 1 1 50 50 ILE CA C 13 64.28 0.10 . 1 . . . . 192 ILE CA . 19227 1 190 . 1 1 50 50 ILE CB C 13 38.02 0.10 . 1 . . . . 192 ILE CB . 19227 1 191 . 1 1 50 50 ILE N N 15 119.00 0.10 . 1 . . . . 192 ILE N . 19227 1 192 . 1 1 51 51 TRP H H 1 8.21 0.05 . 1 . . . . 193 TRP H . 19227 1 193 . 1 1 51 51 TRP C C 13 179.70 0.10 . 1 . . . . 193 TRP C . 19227 1 194 . 1 1 51 51 TRP CA C 13 63.65 0.10 . 1 . . . . 193 TRP CA . 19227 1 195 . 1 1 51 51 TRP CB C 13 28.51 0.10 . 1 . . . . 193 TRP CB . 19227 1 196 . 1 1 51 51 TRP N N 15 122.00 0.10 . 1 . . . . 193 TRP N . 19227 1 197 . 1 1 52 52 PHE H H 1 8.79 0.05 . 1 . . . . 194 PHE H . 19227 1 198 . 1 1 52 52 PHE C C 13 177.90 0.10 . 1 . . . . 194 PHE C . 19227 1 199 . 1 1 52 52 PHE CA C 13 63.43 0.10 . 1 . . . . 194 PHE CA . 19227 1 200 . 1 1 52 52 PHE CB C 13 39.61 0.10 . 1 . . . . 194 PHE CB . 19227 1 201 . 1 1 52 52 PHE N N 15 118.40 0.10 . 1 . . . . 194 PHE N . 19227 1 202 . 1 1 53 53 GLN H H 1 7.98 0.05 . 1 . . . . 195 GLN H . 19227 1 203 . 1 1 53 53 GLN C C 13 178.90 0.10 . 1 . . . . 195 GLN C . 19227 1 204 . 1 1 53 53 GLN CA C 13 59.58 0.10 . 1 . . . . 195 GLN CA . 19227 1 205 . 1 1 53 53 GLN CB C 13 28.38 0.10 . 1 . . . . 195 GLN CB . 19227 1 206 . 1 1 53 53 GLN N N 15 118.40 0.10 . 1 . . . . 195 GLN N . 19227 1 207 . 1 1 54 54 ASN H H 1 8.21 0.05 . 1 . . . . 196 ASN H . 19227 1 208 . 1 1 54 54 ASN C C 13 177.70 0.10 . 1 . . . . 196 ASN C . 19227 1 209 . 1 1 54 54 ASN CA C 13 55.65 0.10 . 1 . . . . 196 ASN CA . 19227 1 210 . 1 1 54 54 ASN CB C 13 37.82 0.10 . 1 . . . . 196 ASN CB . 19227 1 211 . 1 1 54 54 ASN N N 15 118.10 0.10 . 1 . . . . 196 ASN N . 19227 1 212 . 1 1 55 55 ARG H H 1 8.28 0.05 . 1 . . . . 197 ARG H . 19227 1 213 . 1 1 55 55 ARG C C 13 179.50 0.10 . 1 . . . . 197 ARG C . 19227 1 214 . 1 1 55 55 ARG CA C 13 56.31 0.10 . 1 . . . . 197 ARG CA . 19227 1 215 . 1 1 55 55 ARG CB C 13 27.91 0.10 . 1 . . . . 197 ARG CB . 19227 1 216 . 1 1 55 55 ARG N N 15 123.60 0.10 . 1 . . . . 197 ARG N . 19227 1 217 . 1 1 56 56 ARG H H 1 8.00 0.05 . 1 . . . . 198 ARG H . 19227 1 218 . 1 1 56 56 ARG C C 13 178.20 0.10 . 1 . . . . 198 ARG C . 19227 1 219 . 1 1 56 56 ARG CA C 13 60.16 0.10 . 1 . . . . 198 ARG CA . 19227 1 220 . 1 1 56 56 ARG CB C 13 31.66 0.10 . 1 . . . . 198 ARG CB . 19227 1 221 . 1 1 56 56 ARG N N 15 118.00 0.10 . 1 . . . . 198 ARG N . 19227 1 222 . 1 1 57 57 MET H H 1 7.39 0.05 . 1 . . . . 199 MET H . 19227 1 223 . 1 1 57 57 MET C C 13 177.40 0.10 . 1 . . . . 199 MET C . 19227 1 224 . 1 1 57 57 MET CA C 13 57.80 0.10 . 1 . . . . 199 MET CA . 19227 1 225 . 1 1 57 57 MET CB C 13 32.04 0.10 . 1 . . . . 199 MET CB . 19227 1 226 . 1 1 57 57 MET N N 15 117.70 0.10 . 1 . . . . 199 MET N . 19227 1 227 . 1 1 58 58 LYS H H 1 7.40 0.05 . 1 . . . . 200 LYS H . 19227 1 228 . 1 1 58 58 LYS C C 13 176.90 0.10 . 1 . . . . 200 LYS C . 19227 1 229 . 1 1 58 58 LYS CA C 13 57.92 0.10 . 1 . . . . 200 LYS CA . 19227 1 230 . 1 1 58 58 LYS CB C 13 32.70 0.10 . 1 . . . . 200 LYS CB . 19227 1 231 . 1 1 58 58 LYS N N 15 119.50 0.10 . 1 . . . . 200 LYS N . 19227 1 232 . 1 1 59 59 TRP H H 1 7.90 0.05 . 1 . . . . 201 TRP H . 19227 1 233 . 1 1 59 59 TRP C C 13 176.40 0.10 . 1 . . . . 201 TRP C . 19227 1 234 . 1 1 59 59 TRP CA C 13 58.39 0.10 . 1 . . . . 201 TRP CA . 19227 1 235 . 1 1 59 59 TRP CB C 13 29.37 0.10 . 1 . . . . 201 TRP CB . 19227 1 236 . 1 1 59 59 TRP N N 15 120.90 0.10 . 1 . . . . 201 TRP N . 19227 1 237 . 1 1 60 60 LYS H H 1 7.94 0.05 . 1 . . . . 202 LYS H . 19227 1 238 . 1 1 60 60 LYS C C 13 176.50 0.10 . 1 . . . . 202 LYS C . 19227 1 239 . 1 1 60 60 LYS CA C 13 56.75 0.10 . 1 . . . . 202 LYS CA . 19227 1 240 . 1 1 60 60 LYS CB C 13 32.78 0.10 . 1 . . . . 202 LYS CB . 19227 1 241 . 1 1 60 60 LYS N N 15 120.50 0.10 . 1 . . . . 202 LYS N . 19227 1 242 . 1 1 61 61 LYS H H 1 7.77 0.05 . 1 . . . . 203 LYS H . 19227 1 243 . 1 1 61 61 LYS C C 13 176.90 0.10 . 1 . . . . 203 LYS C . 19227 1 244 . 1 1 61 61 LYS CA C 13 57.12 0.10 . 1 . . . . 203 LYS CA . 19227 1 245 . 1 1 61 61 LYS CB C 13 32.66 0.10 . 1 . . . . 203 LYS CB . 19227 1 246 . 1 1 61 61 LYS N N 15 120.30 0.10 . 1 . . . . 203 LYS N . 19227 1 247 . 1 1 62 62 GLU H H 1 8.14 0.05 . 1 . . . . 204 GLU H . 19227 1 248 . 1 1 62 62 GLU C C 13 176.40 0.10 . 1 . . . . 204 GLU C . 19227 1 249 . 1 1 62 62 GLU CA C 13 56.99 0.10 . 1 . . . . 204 GLU CA . 19227 1 250 . 1 1 62 62 GLU CB C 13 30.10 0.10 . 1 . . . . 204 GLU CB . 19227 1 251 . 1 1 62 62 GLU N N 15 120.10 0.10 . 1 . . . . 204 GLU N . 19227 1 252 . 1 1 63 63 GLU H H 1 8.06 0.05 . 1 . . . . 205 GLU H . 19227 1 253 . 1 1 63 63 GLU C C 13 175.20 0.10 . 1 . . . . 205 GLU C . 19227 1 254 . 1 1 63 63 GLU CA C 13 56.35 0.10 . 1 . . . . 205 GLU CA . 19227 1 255 . 1 1 63 63 GLU CB C 13 30.58 0.10 . 1 . . . . 205 GLU CB . 19227 1 256 . 1 1 63 63 GLU N N 15 120.50 0.10 . 1 . . . . 205 GLU N . 19227 1 257 . 1 1 64 64 ASP H H 1 7.82 0.05 . 1 . . . . 206 ASP H . 19227 1 258 . 1 1 64 64 ASP C C 13 180.90 0.10 . 1 . . . . 206 ASP C . 19227 1 259 . 1 1 64 64 ASP CA C 13 56.10 0.10 . 1 . . . . 206 ASP CA . 19227 1 260 . 1 1 64 64 ASP CB C 13 42.38 0.10 . 1 . . . . 206 ASP CB . 19227 1 261 . 1 1 64 64 ASP N N 15 126.70 0.10 . 1 . . . . 206 ASP N . 19227 1 stop_ save_