################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52421 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Neh5ex chemical shifts' _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 $chem_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 HNCACB' . . . 52421 1 2 '3D CBCA(CO)NH' . . . 52421 1 3 '3D C(CO)NH' . . . 52421 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52421 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 VAL CA C 13 62.19 0.1 . . . . . . . 155 VAL CA . 52421 1 2 . 1 . 1 1 1 VAL CB C 13 32.90 0.1 . . . . . . . 155 VAL CB . 52421 1 3 . 1 . 1 2 2 PHE H H 1 8.50 0.01 . . . . . . . 156 PHE H . 52421 1 4 . 1 . 1 2 2 PHE CA C 13 58.04 0.1 . . . . . . . 156 PHE CA . 52421 1 5 . 1 . 1 2 2 PHE CB C 13 39.90 0.1 . . . . . . . 156 PHE CB . 52421 1 6 . 1 . 1 2 2 PHE N N 15 124.93 0.1 . . . . . . . 156 PHE N . 52421 1 7 . 1 . 1 3 3 ILE H H 1 8.02 0.01 . . . . . . . 157 ILE H . 52421 1 8 . 1 . 1 3 3 ILE CA C 13 60.31 0.1 . . . . . . . 157 ILE CA . 52421 1 9 . 1 . 1 3 3 ILE CB C 13 39.32 0.1 . . . . . . . 157 ILE CB . 52421 1 10 . 1 . 1 3 3 ILE N N 15 125.70 0.1 . . . . . . . 157 ILE N . 52421 1 11 . 1 . 1 4 4 ALA H H 1 8.33 0.01 . . . . . . . 158 ALA H . 52421 1 12 . 1 . 1 4 4 ALA CA C 13 52.53 0.1 . . . . . . . 158 ALA CA . 52421 1 13 . 1 . 1 4 4 ALA CB C 13 19.43 0.1 . . . . . . . 158 ALA CB . 52421 1 14 . 1 . 1 4 4 ALA N N 15 128.83 0.1 . . . . . . . 158 ALA N . 52421 1 15 . 1 . 1 5 5 THR H H 1 8.12 0.01 . . . . . . . 159 THR H . 52421 1 16 . 1 . 1 5 5 THR CA C 13 61.86 0.1 . . . . . . . 159 THR CA . 52421 1 17 . 1 . 1 5 5 THR CB C 13 69.77 0.1 . . . . . . . 159 THR CB . 52421 1 18 . 1 . 1 5 5 THR N N 15 113.19 0.1 . . . . . . . 159 THR N . 52421 1 19 . 1 . 1 6 6 ASN H H 1 8.43 0.01 . . . . . . . 160 ASN H . 52421 1 20 . 1 . 1 6 6 ASN CA C 13 53.45 0.1 . . . . . . . 160 ASN CA . 52421 1 21 . 1 . 1 6 6 ASN CB C 13 38.77 0.1 . . . . . . . 160 ASN CB . 52421 1 22 . 1 . 1 6 6 ASN N N 15 120.47 0.1 . . . . . . . 160 ASN N . 52421 1 23 . 1 . 1 7 7 GLN CA C 13 55.97 0.1 . . . . . . . 161 GLN CA . 52421 1 24 . 1 . 1 7 7 GLN CB C 13 29.47 0.1 . . . . . . . 161 GLN CB . 52421 1 25 . 1 . 1 8 8 ALA H H 1 8.32 0.01 . . . . . . . 162 ALA H . 52421 1 26 . 1 . 1 8 8 ALA CA C 13 52.66 0.1 . . . . . . . 162 ALA CA . 52421 1 27 . 1 . 1 8 8 ALA CB C 13 19.30 0.1 . . . . . . . 162 ALA CB . 52421 1 28 . 1 . 1 8 8 ALA N N 15 125.01 0.1 . . . . . . . 162 ALA N . 52421 1 29 . 1 . 1 9 9 GLN H H 1 8.31 0.01 . . . . . . . 163 GLN H . 52421 1 30 . 1 . 1 9 9 GLN CA C 13 55.64 0.1 . . . . . . . 163 GLN CA . 52421 1 31 . 1 . 1 9 9 GLN CB C 13 29.79 0.1 . . . . . . . 163 GLN CB . 52421 1 32 . 1 . 1 9 9 GLN N N 15 119.45 0.1 . . . . . . . 163 GLN N . 52421 1 33 . 1 . 1 10 10 SER H H 1 8.40 0.01 . . . . . . . 164 SER H . 52421 1 34 . 1 . 1 10 10 SER CA C 13 58.37 0.1 . . . . . . . 164 SER CA . 52421 1 35 . 1 . 1 10 10 SER CB C 13 63.42 0.1 . . . . . . . 164 SER CB . 52421 1 36 . 1 . 1 10 10 SER N N 15 118.59 0.1 . . . . . . . 164 SER N . 52421 1 37 . 1 . 1 12 12 GLU CA C 13 57.11 0.1 . . . . . . . 166 GLU CA . 52421 1 38 . 1 . 1 12 12 GLU CB C 13 30.08 0.1 . . . . . . . 166 GLU CB . 52421 1 39 . 1 . 1 13 13 THR H H 1 8.09 0.01 . . . . . . . 167 THR H . 52421 1 40 . 1 . 1 13 13 THR CA C 13 61.93 0.1 . . . . . . . 167 THR CA . 52421 1 41 . 1 . 1 13 13 THR CB C 13 69.83 0.1 . . . . . . . 167 THR CB . 52421 1 42 . 1 . 1 13 13 THR N N 15 114.51 0.1 . . . . . . . 167 THR N . 52421 1 43 . 1 . 1 14 14 SER H H 1 8.29 0.01 . . . . . . . 168 SER H . 52421 1 44 . 1 . 1 14 14 SER CA C 13 58.37 0.1 . . . . . . . 168 SER CA . 52421 1 45 . 1 . 1 14 14 SER CB C 13 63.87 0.1 . . . . . . . 168 SER CB . 52421 1 46 . 1 . 1 14 14 SER N N 15 118.43 0.1 . . . . . . . 168 SER N . 52421 1 47 . 1 . 1 15 15 VAL H H 1 8.12 0.01 . . . . . . . 169 VAL H . 52421 1 48 . 1 . 1 15 15 VAL CA C 13 62.19 0.1 . . . . . . . 169 VAL CA . 52421 1 49 . 1 . 1 15 15 VAL CB C 13 32.90 0.1 . . . . . . . 169 VAL CB . 52421 1 50 . 1 . 1 15 15 VAL N N 15 121.64 0.1 . . . . . . . 169 VAL N . 52421 1 51 . 1 . 1 16 16 ALA H H 1 8.32 0.01 . . . . . . . 170 ALA H . 52421 1 52 . 1 . 1 16 16 ALA CA C 13 52.53 0.1 . . . . . . . 170 ALA CA . 52421 1 53 . 1 . 1 16 16 ALA CB C 13 19.36 0.1 . . . . . . . 170 ALA CB . 52421 1 54 . 1 . 1 16 16 ALA N N 15 127.64 0.1 . . . . . . . 170 ALA N . 52421 1 55 . 1 . 1 17 17 GLN H H 1 8.35 0.01 . . . . . . . 171 GLN H . 52421 1 56 . 1 . 1 17 17 GLN CA C 13 56.49 0.1 . . . . . . . 171 GLN CA . 52421 1 57 . 1 . 1 17 17 GLN CB C 13 29.73 0.1 . . . . . . . 171 GLN CB . 52421 1 58 . 1 . 1 17 17 GLN N N 15 120.30 0.1 . . . . . . . 171 GLN N . 52421 1 59 . 1 . 1 18 18 VAL H H 1 8.19 0.01 . . . . . . . 172 VAL H . 52421 1 60 . 1 . 1 18 18 VAL CA C 13 62.06 0.1 . . . . . . . 172 VAL CA . 52421 1 61 . 1 . 1 18 18 VAL CB C 13 33.10 0.1 . . . . . . . 172 VAL CB . 52421 1 62 . 1 . 1 18 18 VAL N N 15 122.09 0.1 . . . . . . . 172 VAL N . 52421 1 63 . 1 . 1 19 19 ALA H H 1 8.42 0.01 . . . . . . . 173 ALA H . 52421 1 64 . 1 . 1 19 19 ALA CA C 13 52.34 0.1 . . . . . . . 173 ALA CA . 52421 1 65 . 1 . 1 19 19 ALA CB C 13 18.46 0.1 . . . . . . . 173 ALA CB . 52421 1 66 . 1 . 1 19 19 ALA N N 15 129.52 0.1 . . . . . . . 173 ALA N . 52421 1 67 . 1 . 1 20 20 PRO CA C 13 62.90 0.1 . . . . . . . 174 PRO CA . 52421 1 68 . 1 . 1 20 20 PRO CB C 13 32.13 0.1 . . . . . . . 174 PRO CB . 52421 1 69 . 1 . 1 21 21 VAL H H 1 8.15 0.01 . . . . . . . 175 VAL H . 52421 1 70 . 1 . 1 21 21 VAL CA C 13 62.25 0.1 . . . . . . . 175 VAL CA . 52421 1 71 . 1 . 1 21 21 VAL CB C 13 33.03 0.1 . . . . . . . 175 VAL CB . 52421 1 72 . 1 . 1 21 21 VAL N N 15 119.46 0.1 . . . . . . . 175 VAL N . 52421 1 73 . 1 . 1 22 22 ASP H H 1 8.37 0.01 . . . . . . . 176 ASP H . 52421 1 74 . 1 . 1 22 22 ASP CA C 13 54.02 0.1 . . . . . . . 176 ASP CA . 52421 1 75 . 1 . 1 22 22 ASP CB C 13 41.26 0.1 . . . . . . . 176 ASP CB . 52421 1 76 . 1 . 1 22 22 ASP N N 15 123.77 0.1 . . . . . . . 176 ASP N . 52421 1 77 . 1 . 1 23 23 LEU H H 1 8.27 0.01 . . . . . . . 177 LEU H . 52421 1 78 . 1 . 1 23 23 LEU CA C 13 55.64 0.1 . . . . . . . 177 LEU CA . 52421 1 79 . 1 . 1 23 23 LEU CB C 13 42.30 0.1 . . . . . . . 177 LEU CB . 52421 1 80 . 1 . 1 23 23 LEU N N 15 123.27 0.1 . . . . . . . 177 LEU N . 52421 1 81 . 1 . 1 24 24 ASP H H 1 8.32 0.01 . . . . . . . 178 ASP H . 52421 1 82 . 1 . 1 24 24 ASP CA C 13 55.00 0.1 . . . . . . . 178 ASP CA . 52421 1 83 . 1 . 1 24 24 ASP CB C 13 41.35 0.1 . . . . . . . 178 ASP CB . 52421 1 84 . 1 . 1 24 24 ASP N N 15 120.39 0.1 . . . . . . . 178 ASP N . 52421 1 85 . 1 . 1 25 25 GLY H H 1 8.27 0.01 . . . . . . . 179 GLY H . 52421 1 86 . 1 . 1 25 25 GLY CA C 13 45.93 0.1 . . . . . . . 179 GLY CA . 52421 1 87 . 1 . 1 25 25 GLY N N 15 109.00 0.1 . . . . . . . 179 GLY N . 52421 1 88 . 1 . 1 26 26 MET H H 1 8.13 0.01 . . . . . . . 180 MET H . 52421 1 89 . 1 . 1 26 26 MET CA C 13 55.64 0.1 . . . . . . . 180 MET CA . 52421 1 90 . 1 . 1 26 26 MET CB C 13 33.03 0.1 . . . . . . . 180 MET CB . 52421 1 91 . 1 . 1 26 26 MET N N 15 119.60 0.1 . . . . . . . 180 MET N . 52421 1 92 . 1 . 1 27 27 GLN H H 1 8.44 0.01 . . . . . . . 181 GLN H . 52421 1 93 . 1 . 1 27 27 GLN CA C 13 55.96 0.1 . . . . . . . 181 GLN CA . 52421 1 94 . 1 . 1 27 27 GLN CB C 13 29.66 0.1 . . . . . . . 181 GLN CB . 52421 1 95 . 1 . 1 27 27 GLN N N 15 121.76 0.1 . . . . . . . 181 GLN N . 52421 1 96 . 1 . 1 28 28 GLN H H 1 8.43 0.01 . . . . . . . 182 GLN H . 52421 1 97 . 1 . 1 28 28 GLN CA C 13 55.77 0.1 . . . . . . . 182 GLN CA . 52421 1 98 . 1 . 1 28 28 GLN CB C 13 29.84 0.1 . . . . . . . 182 GLN CB . 52421 1 99 . 1 . 1 28 28 GLN N N 15 121.76 0.1 . . . . . . . 182 GLN N . 52421 1 100 . 1 . 1 29 29 ASP H H 1 8.48 0.01 . . . . . . . 183 ASP H . 52421 1 101 . 1 . 1 29 29 ASP CA C 13 54.42 0.1 . . . . . . . 183 ASP CA . 52421 1 102 . 1 . 1 29 29 ASP CB C 13 41.17 0.1 . . . . . . . 183 ASP CB . 52421 1 103 . 1 . 1 29 29 ASP N N 15 122.09 0.1 . . . . . . . 183 ASP N . 52421 1 104 . 1 . 1 30 30 ILE H H 1 8.09 0.01 . . . . . . . 184 ILE H . 52421 1 105 . 1 . 1 30 30 ILE CA C 13 61.28 0.1 . . . . . . . 184 ILE CA . 52421 1 106 . 1 . 1 30 30 ILE CB C 13 39.12 0.1 . . . . . . . 184 ILE CB . 52421 1 107 . 1 . 1 30 30 ILE N N 15 120.67 0.1 . . . . . . . 184 ILE N . 52421 1 108 . 1 . 1 32 32 GLN CA C 13 55.64 0.1 . . . . . . . 186 GLN CA . 52421 1 109 . 1 . 1 32 32 GLN CB C 13 29.53 0.1 . . . . . . . 186 GLN CB . 52421 1 110 . 1 . 1 33 33 VAL H H 1 8.12 0.01 . . . . . . . 187 VAL H . 52421 1 111 . 1 . 1 33 33 VAL CA C 13 62.19 0.1 . . . . . . . 187 VAL CA . 52421 1 112 . 1 . 1 33 33 VAL CB C 13 32.90 0.1 . . . . . . . 187 VAL CB . 52421 1 113 . 1 . 1 33 33 VAL N N 15 121.98 0.1 . . . . . . . 187 VAL N . 52421 1 114 . 1 . 1 34 34 TRP H H 1 8.32 0.01 . . . . . . . 188 TRP H . 52421 1 115 . 1 . 1 34 34 TRP CA C 13 57.33 0.1 . . . . . . . 188 TRP CA . 52421 1 116 . 1 . 1 34 34 TRP CB C 13 29.92 0.1 . . . . . . . 188 TRP CB . 52421 1 117 . 1 . 1 34 34 TRP N N 15 125.73 0.1 . . . . . . . 188 TRP N . 52421 1 118 . 1 . 1 35 35 GLU H H 1 8.19 0.01 . . . . . . . 189 GLU H . 52421 1 119 . 1 . 1 35 35 GLU CA C 13 56.87 0.1 . . . . . . . 189 GLU CA . 52421 1 120 . 1 . 1 35 35 GLU CB C 13 30.77 0.1 . . . . . . . 189 GLU CB . 52421 1 121 . 1 . 1 35 35 GLU N N 15 123.00 0.1 . . . . . . . 189 GLU N . 52421 1 122 . 1 . 1 37 37 LEU CA C 13 55.25 0.1 . . . . . . . 191 LEU CA . 52421 1 123 . 1 . 1 37 37 LEU CB C 13 42.43 0.1 . . . . . . . 191 LEU CB . 52421 1 124 . 1 . 1 38 38 LEU H H 1 8.15 0.01 . . . . . . . 192 LEU H . 52421 1 125 . 1 . 1 38 38 LEU CA C 13 55.06 0.1 . . . . . . . 192 LEU CA . 52421 1 126 . 1 . 1 38 38 LEU CB C 13 42.62 0.1 . . . . . . . 192 LEU CB . 52421 1 127 . 1 . 1 38 38 LEU N N 15 122.94 0.1 . . . . . . . 192 LEU N . 52421 1 128 . 1 . 1 39 39 SER H H 1 8.19 0.01 . . . . . . . 193 SER H . 52421 1 129 . 1 . 1 39 39 SER CA C 13 57.91 0.1 . . . . . . . 193 SER CA . 52421 1 130 . 1 . 1 39 39 SER CB C 13 63.81 0.1 . . . . . . . 193 SER CB . 52421 1 131 . 1 . 1 39 39 SER N N 15 116.84 0.1 . . . . . . . 193 SER N . 52421 1 132 . 1 . 1 40 40 ILE H H 1 8.20 0.01 . . . . . . . 194 ILE H . 52421 1 133 . 1 . 1 40 40 ILE CA C 13 61.15 0.1 . . . . . . . 194 ILE CA . 52421 1 134 . 1 . 1 40 40 ILE CB C 13 38.54 0.1 . . . . . . . 194 ILE CB . 52421 1 135 . 1 . 1 40 40 ILE N N 15 124.33 0.1 . . . . . . . 194 ILE N . 52421 1 136 . 1 . 1 43 43 LEU CA C 13 55.32 0.1 . . . . . . . 197 LEU CA . 52421 1 137 . 1 . 1 43 43 LEU CB C 13 42.30 0.1 . . . . . . . 197 LEU CB . 52421 1 138 . 1 . 1 44 44 GLN H H 1 8.35 0.01 . . . . . . . 198 GLN H . 52421 1 139 . 1 . 1 44 44 GLN CA C 13 56.03 0.1 . . . . . . . 198 GLN CA . 52421 1 140 . 1 . 1 44 44 GLN CB C 13 29.60 0.1 . . . . . . . 198 GLN CB . 52421 1 141 . 1 . 1 44 44 GLN N N 15 121.04 0.1 . . . . . . . 198 GLN N . 52421 1 142 . 1 . 1 45 45 CYS H H 1 8.36 0.01 . . . . . . . 199 CYS H . 52421 1 143 . 1 . 1 45 45 CYS CA C 13 58.56 0.1 . . . . . . . 199 CYS CA . 52421 1 144 . 1 . 1 45 45 CYS CB C 13 33.74 0.1 . . . . . . . 199 CYS CB . 52421 1 145 . 1 . 1 45 45 CYS N N 15 120.39 0.1 . . . . . . . 199 CYS N . 52421 1 146 . 1 . 1 46 46 LEU H H 1 8.31 0.01 . . . . . . . 200 LEU H . 52421 1 147 . 1 . 1 46 46 LEU CA C 13 55.32 0.1 . . . . . . . 200 LEU CA . 52421 1 148 . 1 . 1 46 46 LEU CB C 13 42.69 0.1 . . . . . . . 200 LEU CB . 52421 1 149 . 1 . 1 46 46 LEU N N 15 124.44 0.1 . . . . . . . 200 LEU N . 52421 1 150 . 1 . 1 47 47 ASN H H 1 8.44 0.01 . . . . . . . 201 ASN H . 52421 1 151 . 1 . 1 47 47 ASN CA C 13 53.38 0.1 . . . . . . . 201 ASN CA . 52421 1 152 . 1 . 1 47 47 ASN CB C 13 38.74 0.1 . . . . . . . 201 ASN CB . 52421 1 153 . 1 . 1 47 47 ASN N N 15 119.94 0.1 . . . . . . . 201 ASN N . 52421 1 154 . 1 . 1 48 48 ILE H H 1 8.11 0.01 . . . . . . . 202 ILE H . 52421 1 155 . 1 . 1 48 48 ILE CA C 13 61.35 0.1 . . . . . . . 202 ILE CA . 52421 1 156 . 1 . 1 48 48 ILE CB C 13 38.86 0.1 . . . . . . . 202 ILE CB . 52421 1 157 . 1 . 1 48 48 ILE N N 15 121.24 0.1 . . . . . . . 202 ILE N . 52421 1 158 . 1 . 1 49 49 GLU CA C 13 56.75 0.1 . . . . . . . 203 GLU CA . 52421 1 159 . 1 . 1 49 49 GLU CB C 13 30.25 0.1 . . . . . . . 203 GLU CB . 52421 1 160 . 1 . 1 50 50 ASN H H 1 8.41 0.01 . . . . . . . 204 ASN H . 52421 1 161 . 1 . 1 50 50 ASN CA C 13 53.70 0.1 . . . . . . . 204 ASN CA . 52421 1 162 . 1 . 1 50 50 ASN CB C 13 39.05 0.1 . . . . . . . 204 ASN CB . 52421 1 163 . 1 . 1 50 50 ASN N N 15 119.83 0.1 . . . . . . . 204 ASN N . 52421 1 164 . 1 . 1 51 51 ASP H H 1 8.39 0.01 . . . . . . . 205 ASP H . 52421 1 165 . 1 . 1 51 51 ASP CA C 13 53.31 0.1 . . . . . . . 205 ASP CA . 52421 1 166 . 1 . 1 51 51 ASP CB C 13 38.79 0.1 . . . . . . . 205 ASP CB . 52421 1 167 . 1 . 1 51 51 ASP N N 15 120.55 0.1 . . . . . . . 205 ASP N . 52421 1 168 . 1 . 1 52 52 LYS H H 1 8.07 0.01 . . . . . . . 206 LYS H . 52421 1 169 . 1 . 1 52 52 LYS CA C 13 56.22 0.1 . . . . . . . 206 LYS CA . 52421 1 170 . 1 . 1 52 52 LYS CB C 13 32.92 0.1 . . . . . . . 206 LYS CB . 52421 1 171 . 1 . 1 52 52 LYS N N 15 120.58 0.1 . . . . . . . 206 LYS N . 52421 1 172 . 1 . 1 53 53 LEU H H 1 8.15 0.01 . . . . . . . 207 LEU H . 52421 1 173 . 1 . 1 53 53 LEU CA C 13 55.40 0.1 . . . . . . . 207 LEU CA . 52421 1 174 . 1 . 1 53 53 LEU CB C 13 42.39 0.1 . . . . . . . 207 LEU CB . 52421 1 175 . 1 . 1 53 53 LEU N N 15 122.98 0.1 . . . . . . . 207 LEU N . 52421 1 176 . 1 . 1 54 54 VAL H H 1 8.07 0.01 . . . . . . . 208 VAL H . 52421 1 177 . 1 . 1 54 54 VAL CA C 13 62.41 0.1 . . . . . . . 208 VAL CA . 52421 1 178 . 1 . 1 54 54 VAL CB C 13 32.92 0.1 . . . . . . . 208 VAL CB . 52421 1 179 . 1 . 1 54 54 VAL N N 15 121.34 0.1 . . . . . . . 208 VAL N . 52421 1 180 . 1 . 1 55 55 GLU CA C 13 56.60 0.1 . . . . . . . 209 GLU CA . 52421 1 181 . 1 . 1 55 55 GLU CB C 13 30.59 0.1 . . . . . . . 209 GLU CB . 52421 1 182 . 1 . 1 56 56 THR H H 1 8.28 0.01 . . . . . . . 210 THR H . 52421 1 183 . 1 . 1 56 56 THR CA C 13 61.99 0.1 . . . . . . . 210 THR CA . 52421 1 184 . 1 . 1 56 56 THR CB C 13 69.77 0.1 . . . . . . . 210 THR CB . 52421 1 185 . 1 . 1 56 56 THR N N 15 115.72 0.1 . . . . . . . 210 THR N . 52421 1 186 . 1 . 1 57 57 THR CA C 13 62.22 0.1 . . . . . . . 211 THR CA . 52421 1 187 . 1 . 1 57 57 THR CB C 13 69.80 0.1 . . . . . . . 211 THR CB . 52421 1 188 . 1 . 1 58 58 MET H H 1 8.39 0.01 . . . . . . . 212 MET H . 52421 1 189 . 1 . 1 58 58 MET CA C 13 55.53 0.1 . . . . . . . 212 MET CA . 52421 1 190 . 1 . 1 58 58 MET CB C 13 33.05 0.1 . . . . . . . 212 MET CB . 52421 1 191 . 1 . 1 58 58 MET N N 15 123.61 0.1 . . . . . . . 212 MET N . 52421 1 192 . 1 . 1 59 59 VAL H H 1 8.22 0.01 . . . . . . . 213 VAL H . 52421 1 193 . 1 . 1 59 59 VAL CA C 13 61.92 0.1 . . . . . . . 213 VAL CA . 52421 1 194 . 1 . 1 59 59 VAL CB C 13 32.86 0.1 . . . . . . . 213 VAL CB . 52421 1 195 . 1 . 1 59 59 VAL N N 15 123.73 0.1 . . . . . . . 213 VAL N . 52421 1 196 . 1 . 1 60 60 PRO CA C 13 63.04 0.1 . . . . . . . 214 PRO CA . 52421 1 197 . 1 . 1 60 60 PRO CB C 13 32.35 0.1 . . . . . . . 214 PRO CB . 52421 1 198 . 1 . 1 61 61 SER H H 1 8.46 0.01 . . . . . . . 215 SER H . 52421 1 199 . 1 . 1 61 61 SER CA C 13 56.42 0.1 . . . . . . . 215 SER CA . 52421 1 200 . 1 . 1 61 61 SER CB C 13 63.56 0.1 . . . . . . . 215 SER CB . 52421 1 201 . 1 . 1 61 61 SER N N 15 117.67 0.1 . . . . . . . 215 SER N . 52421 1 202 . 1 . 1 63 63 GLU CA C 13 56.47 0.1 . . . . . . . 217 GLU CA . 52421 1 203 . 1 . 1 63 63 GLU CB C 13 30.14 0.1 . . . . . . . 217 GLU CB . 52421 1 204 . 1 . 1 64 64 ALA H H 1 8.22 0.01 . . . . . . . 218 ALA H . 52421 1 205 . 1 . 1 64 64 ALA CA C 13 52.40 0.1 . . . . . . . 218 ALA CA . 52421 1 206 . 1 . 1 64 64 ALA CB C 13 19.30 0.1 . . . . . . . 218 ALA CB . 52421 1 207 . 1 . 1 64 64 ALA N N 15 125.46 0.1 . . . . . . . 218 ALA N . 52421 1 208 . 1 . 1 65 65 LYS H H 1 8.24 0.01 . . . . . . . 219 LYS H . 52421 1 209 . 1 . 1 65 65 LYS CA C 13 55.97 0.1 . . . . . . . 219 LYS CA . 52421 1 210 . 1 . 1 65 65 LYS CB C 13 33.09 0.1 . . . . . . . 219 LYS CB . 52421 1 211 . 1 . 1 65 65 LYS N N 15 121.80 0.1 . . . . . . . 219 LYS N . 52421 1 212 . 1 . 1 66 66 LEU H H 1 7.93 0.01 . . . . . . . 220 LEU H . 52421 1 213 . 1 . 1 66 66 LEU CA C 13 56.55 0.1 . . . . . . . 220 LEU CA . 52421 1 214 . 1 . 1 66 66 LEU CB C 13 43.46 0.1 . . . . . . . 220 LEU CB . 52421 1 215 . 1 . 1 66 66 LEU N N 15 129.99 0.1 . . . . . . . 220 LEU N . 52421 1 stop_ save_