################################### # 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 50014 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC/HMQC' . . . 50014 1 2 '3D HNCA' . . . 50014 1 3 '3D CBCA(CO)NH' . . . 50014 1 4 '3D HNCACB' . . . 50014 1 6 '3D HNCO' . . . 50014 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 2 2 PRO C C 13 176.649 0.05 . 1 . . 225 . . 209 PRO C . 50014 1 2 . 1 . 1 2 2 PRO CA C 13 63.006 0.027 . 1 . . 92 . . 209 PRO CA . 50014 1 3 . 1 . 1 2 2 PRO CB C 13 32.356 0.059 . 1 . . 94 . . 209 PRO CB . 50014 1 4 . 1 . 1 3 3 MET H H 1 8.501 0.001 . 1 . . 90 . . 210 MET H . 50014 1 5 . 1 . 1 3 3 MET C C 13 176.077 0.05 . 1 . . 227 . . 210 MET C . 50014 1 6 . 1 . 1 3 3 MET CA C 13 55.601 0.008 . 1 . . 104 . . 210 MET CA . 50014 1 7 . 1 . 1 3 3 MET CB C 13 32.890 0.026 . 1 . . 105 . . 210 MET CB . 50014 1 8 . 1 . 1 3 3 MET N N 15 120.961 0.013 . 1 . . 91 . . 210 MET N . 50014 1 9 . 1 . 1 4 4 VAL H H 1 8.071 0.001 . 1 . . 101 . . 211 VAL H . 50014 1 10 . 1 . 1 4 4 VAL C C 13 175.545 0.05 . 1 . . 209 . . 211 VAL C . 50014 1 11 . 1 . 1 4 4 VAL CA C 13 62.004 0.027 . 1 . . 103 . . 211 VAL CA . 50014 1 12 . 1 . 1 4 4 VAL CB C 13 33.050 0.052 . 1 . . 17 . . 211 VAL CB . 50014 1 13 . 1 . 1 4 4 VAL N N 15 120.830 0.009 . 1 . . 102 . . 211 VAL N . 50014 1 14 . 1 . 1 5 5 ASP H H 1 8.258 0.001 . 1 . . 15 . . 212 ASP H . 50014 1 15 . 1 . 1 5 5 ASP C C 13 175.683 0.05 . 1 . . 230 . . 212 ASP C . 50014 1 16 . 1 . 1 5 5 ASP CA C 13 54.110 0.028 . 1 . . 18 . . 212 ASP CA . 50014 1 17 . 1 . 1 5 5 ASP CB C 13 41.357 0.034 . 1 . . 115 . . 212 ASP CB . 50014 1 18 . 1 . 1 5 5 ASP N N 15 123.618 0.008 . 1 . . 16 . . 212 ASP N . 50014 1 19 . 1 . 1 6 6 ASP H H 1 8.095 0.001 . 1 . . 113 . . 213 ASP H . 50014 1 20 . 1 . 1 6 6 ASP C C 13 176.173 0.05 . 1 . . 231 . . 213 ASP C . 50014 1 21 . 1 . 1 6 6 ASP CA C 13 54.354 0.023 . 1 . . 116 . . 213 ASP CA . 50014 1 22 . 1 . 1 6 6 ASP CB C 13 41.142 0.018 . 1 . . 130 . . 213 ASP CB . 50014 1 23 . 1 . 1 6 6 ASP N N 15 120.507 0.013 . 1 . . 114 . . 213 ASP N . 50014 1 24 . 1 . 1 7 7 PHE H H 1 8.217 0.013 . 1 . . 127 . . 214 PHE H . 50014 1 25 . 1 . 1 7 7 PHE C C 13 176.567 0.05 . 1 . . 244 . . 214 PHE C . 50014 1 26 . 1 . 1 7 7 PHE CA C 13 58.171 0.017 . 1 . . 129 . . 214 PHE CA . 50014 1 27 . 1 . 1 7 7 PHE CB C 13 39.150 0.015 . 1 . . 176 . . 214 PHE CB . 50014 1 28 . 1 . 1 7 7 PHE N N 15 120.370 0.009 . 1 . . 128 . . 214 PHE N . 50014 1 29 . 1 . 1 8 8 GLY H H 1 8.258 0.002 . 1 . . 169 . . 215 GLY H . 50014 1 30 . 1 . 1 8 8 GLY C C 13 174.563 0.05 . 1 . . 224 . . 215 GLY C . 50014 1 31 . 1 . 1 8 8 GLY CA C 13 45.698 0.011 . 1 . . 175 . . 215 GLY CA . 50014 1 32 . 1 . 1 8 8 GLY N N 15 109.398 0.036 . 1 . . 170 . . 215 GLY N . 50014 1 33 . 1 . 1 9 9 GLU H H 1 8.280 0.001 . 1 . . 83 . . 216 GLU H . 50014 1 34 . 1 . 1 9 9 GLU C C 13 176.715 0.05 . 1 . . 238 . . 216 GLU C . 50014 1 35 . 1 . 1 9 9 GLU CA C 13 57.261 0.02 . 1 . . 189 . . 216 GLU CA . 50014 1 36 . 1 . 1 9 9 GLU CB C 13 30.068 0.013 . 1 . . 150 . . 216 GLU CB . 50014 1 37 . 1 . 1 9 9 GLU N N 15 120.967 0.013 . 1 . . 84 . . 216 GLU N . 50014 1 38 . 1 . 1 10 10 ASN H H 1 8.406 0.002 . 1 . . 147 . . 217 ASN H . 50014 1 39 . 1 . 1 10 10 ASN C C 13 175.745 0.05 . 1 . . 218 . . 217 ASN C . 50014 1 40 . 1 . 1 10 10 ASN CA C 13 53.974 0.024 . 1 . . 149 . . 217 ASN CA . 50014 1 41 . 1 . 1 10 10 ASN CB C 13 38.437 0.016 . 1 . . 49 . . 217 ASN CB . 50014 1 42 . 1 . 1 10 10 ASN N N 15 118.684 0.011 . 1 . . 148 . . 217 ASN N . 50014 1 43 . 1 . 1 11 11 LEU H H 1 8.018 0.001 . 1 . . 47 . . 218 LEU H . 50014 1 44 . 1 . 1 11 11 LEU C C 13 177.667 0.05 . 1 . . 228 . . 218 LEU C . 50014 1 45 . 1 . 1 11 11 LEU CA C 13 56.030 0.037 . 1 . . 50 . . 218 LEU CA . 50014 1 46 . 1 . 1 11 11 LEU CB C 13 42.092 0.021 . 1 . . 100 . . 218 LEU CB . 50014 1 47 . 1 . 1 11 11 LEU N N 15 122.103 0.009 . 1 . . 48 . . 218 LEU N . 50014 1 48 . 1 . 1 12 12 LEU H H 1 7.957 0.001 . 1 . . 97 . . 219 LEU H . 50014 1 49 . 1 . 1 12 12 LEU C C 13 177.700 0.05 . 1 . . 234 . . 219 LEU C . 50014 1 50 . 1 . 1 12 12 LEU CA C 13 55.792 0.043 . 1 . . 99 . . 219 LEU CA . 50014 1 51 . 1 . 1 12 12 LEU CB C 13 41.852 0.031 . 1 . . 123 . . 219 LEU CB . 50014 1 52 . 1 . 1 12 12 LEU N N 15 120.881 0.006 . 1 . . 98 . . 219 LEU N . 50014 1 53 . 1 . 1 13 13 ARG H H 1 7.957 0.001 . 1 . . 120 . . 220 ARG H . 50014 1 54 . 1 . 1 13 13 ARG C C 13 176.463 0.05 . 1 . . 240 . . 220 ARG C . 50014 1 55 . 1 . 1 13 13 ARG CA C 13 56.378 0.022 . 1 . . 122 . . 220 ARG CA . 50014 1 56 . 1 . 1 13 13 ARG CB C 13 30.525 0.024 . 1 . . 158 . . 220 ARG CB . 50014 1 57 . 1 . 1 13 13 ARG N N 15 120.261 0.016 . 1 . . 121 . . 220 ARG N . 50014 1 58 . 1 . 1 14 14 SER H H 1 8.000 0.001 . 1 . . 155 . . 221 SER H . 50014 1 59 . 1 . 1 14 14 SER C C 13 174.214 0.05 . 1 . . 221 . . 221 SER C . 50014 1 60 . 1 . 1 14 14 SER CA C 13 58.572 0.009 . 1 . . 157 . . 221 SER CA . 50014 1 61 . 1 . 1 14 14 SER CB C 13 63.739 0.016 . 1 . . 82 . . 221 SER CB . 50014 1 62 . 1 . 1 14 14 SER N N 15 115.895 0.007 . 1 . . 156 . . 221 SER N . 50014 1 63 . 1 . 1 15 15 PHE H H 1 8.074 0.001 . 1 . . 80 . . 222 PHE H . 50014 1 64 . 1 . 1 15 15 PHE C C 13 176.262 0.05 . 1 . . 241 . . 222 PHE C . 50014 1 65 . 1 . 1 15 15 PHE CA C 13 58.084 0.044 . 1 . . 180 . . 222 PHE CA . 50014 1 66 . 1 . 1 15 15 PHE CB C 13 39.491 0.003 . 1 . . 191 . . 222 PHE CB . 50014 1 67 . 1 . 1 15 15 PHE N N 15 121.340 0.011 . 1 . . 81 . . 222 PHE N . 50014 1 68 . 1 . 1 16 16 GLY H H 1 8.219 0.001 . 1 . . 173 . . 223 GLY H . 50014 1 69 . 1 . 1 16 16 GLY C C 13 174.224 0.05 . 1 . . 220 . . 223 GLY C . 50014 1 70 . 1 . 1 16 16 GLY CA C 13 45.323 0.032 . 1 . . 75 . . 223 GLY CA . 50014 1 71 . 1 . 1 16 16 GLY N N 15 109.875 0.008 . 1 . . 174 . . 223 GLY N . 50014 1 72 . 1 . 1 17 17 TRP H H 1 7.993 0.002 . 1 . . 72 . . 224 TRP H . 50014 1 73 . 1 . 1 17 17 TRP C C 13 176.016 0.05 . 1 . . 217 . . 224 TRP C . 50014 1 74 . 1 . 1 17 17 TRP CA C 13 57.710 0.035 . 1 . . 74 . . 224 TRP CA . 50014 1 75 . 1 . 1 17 17 TRP CB C 13 29.385 0.027 . 1 . . 46 . . 224 TRP CB . 50014 1 76 . 1 . 1 17 17 TRP N N 15 121.227 0.007 . 1 . . 73 . . 224 TRP N . 50014 1 77 . 1 . 1 18 18 ASP H H 1 8.065 0.001 . 1 . . 43 . . 225 ASP H . 50014 1 78 . 1 . 1 18 18 ASP C C 13 176.631 0.05 . 1 . . 247 . . 225 ASP C . 50014 1 79 . 1 . 1 18 18 ASP CA C 13 53.881 0.027 . 1 . . 161 . . 225 ASP CA . 50014 1 80 . 1 . 1 18 18 ASP CB C 13 40.766 0.011 . 1 . . 162 . . 225 ASP CB . 50014 1 81 . 1 . 1 18 18 ASP N N 15 122.255 0.005 . 1 . . 44 . . 225 ASP N . 50014 1 82 . 1 . 1 19 19 GLY H H 1 7.395 0.002 . 1 . . 159 . . 226 GLY H . 50014 1 83 . 1 . 1 19 19 GLY C C 13 174.423 0.05 . 1 . . 236 . . 226 GLY C . 50014 1 84 . 1 . 1 19 19 GLY CA C 13 45.677 0.008 . 1 . . 119 . . 226 GLY CA . 50014 1 85 . 1 . 1 19 19 GLY N N 15 108.106 0.01 . 1 . . 160 . . 226 GLY N . 50014 1 86 . 1 . 1 20 20 LYS H H 1 7.907 0.001 . 1 . . 117 . . 227 LYS H . 50014 1 87 . 1 . 1 20 20 LYS C C 13 176.841 0.05 . 1 . . 232 . . 227 LYS C . 50014 1 88 . 1 . 1 20 20 LYS CA C 13 56.618 0.01 . 1 . . 133 . . 227 LYS CA . 50014 1 89 . 1 . 1 20 20 LYS CB C 13 32.778 0.022 . 1 . . 134 . . 227 LYS CB . 50014 1 90 . 1 . 1 20 20 LYS N N 15 120.193 0.007 . 1 . . 118 . . 227 LYS N . 50014 1 91 . 1 . 1 21 21 MET H H 1 8.279 0.001 . 1 . . 131 . . 228 MET H . 50014 1 92 . 1 . 1 21 21 MET C C 13 176.254 0.05 . 1 . . 215 . . 228 MET C . 50014 1 93 . 1 . 1 21 21 MET CA C 13 55.566 0.019 . 1 . . 60 . . 228 MET CA . 50014 1 94 . 1 . 1 21 21 MET CB C 13 32.583 0.086 . 1 . . 59 . . 228 MET CB . 50014 1 95 . 1 . 1 21 21 MET N N 15 120.322 0.009 . 1 . . 132 . . 228 MET N . 50014 1 96 . 1 . 1 22 22 ARG H H 1 8.202 0.002 . 1 . . 57 . . 229 ARG H . 50014 1 97 . 1 . 1 22 22 ARG C C 13 176.671 0.05 . 1 . . 243 . . 229 ARG C . 50014 1 98 . 1 . 1 22 22 ARG CA C 13 56.410 0.051 . 1 . . 188 . . 229 ARG CA . 50014 1 99 . 1 . 1 22 22 ARG CB C 13 30.655 0.027 . 1 . . 187 . . 229 ARG CB . 50014 1 100 . 1 . 1 22 22 ARG N N 15 122.103 0.015 . 1 . . 58 . . 229 ARG N . 50014 1 101 . 1 . 1 23 23 GLY H H 1 8.286 0.002 . 1 . . 181 . . 230 GLY H . 50014 1 102 . 1 . 1 23 23 GLY C C 13 173.823 0.05 . 1 . . 226 . . 230 GLY C . 50014 1 103 . 1 . 1 23 23 GLY CA C 13 45.199 0.028 . 1 . . 108 . . 230 GLY CA . 50014 1 104 . 1 . 1 23 23 GLY N N 15 109.684 0.018 . 1 . . 182 . . 230 GLY N . 50014 1 105 . 1 . 1 24 24 LYS H H 1 8.088 0.001 . 1 . . 106 . . 231 LYS H . 50014 1 106 . 1 . 1 24 24 LYS C C 13 176.635 0.05 . 1 . . 222 . . 231 LYS C . 50014 1 107 . 1 . 1 24 24 LYS CA C 13 56.235 0.032 . 1 . . 78 . . 231 LYS CA . 50014 1 108 . 1 . 1 24 24 LYS CB C 13 33.126 0.03 . 1 . . 79 . . 231 LYS CB . 50014 1 109 . 1 . 1 24 24 LYS N N 15 120.836 0.006 . 1 . . 107 . . 231 LYS N . 50014 1 110 . 1 . 1 25 25 VAL H H 1 8.047 0.001 . 1 . . 76 . . 232 VAL H . 50014 1 111 . 1 . 1 25 25 VAL C C 13 176.071 0.05 . 1 . . 263 . . 232 VAL C . 50014 1 112 . 1 . 1 25 25 VAL CA C 13 62.470 0.02 . 1 . . 251 . . 232 VAL CA . 50014 1 113 . 1 . 1 25 25 VAL CB C 13 32.778 0.05 . 1 . . 4 . . 232 VAL CB . 50014 1 114 . 1 . 1 25 25 VAL N N 15 121.289 0.007 . 1 . . 77 . . 232 VAL N . 50014 1 115 . 1 . 1 26 26 LYS H H 1 8.302 0.001 . 1 . . 254 . . 233 LYS H . 50014 1 116 . 1 . 1 26 26 LYS C C 13 176.268 0.05 . 1 . . 259 . . 233 LYS C . 50014 1 117 . 1 . 1 26 26 LYS CA C 13 56.453 0.023 . 1 . . 261 . . 233 LYS CA . 50014 1 118 . 1 . 1 26 26 LYS CB C 13 32.962 0.003 . 1 . . 262 . . 233 LYS CB . 50014 1 119 . 1 . 1 26 26 LYS N N 15 125.167 0.062 . 1 . . 255 . . 233 LYS N . 50014 1 120 . 1 . 1 27 27 GLU H H 1 8.287 0.001 . 1 . . 27 . . 234 GLU H . 50014 1 121 . 1 . 1 27 27 GLU C C 13 176.181 0.05 . 1 . . 216 . . 234 GLU C . 50014 1 122 . 1 . 1 27 27 GLU CA C 13 56.397 0.048 . 1 . . 30 . . 234 GLU CA . 50014 1 123 . 1 . 1 27 27 GLU CB C 13 30.407 0.004 . 1 . . 38 . . 234 GLU CB . 50014 1 124 . 1 . 1 27 27 GLU N N 15 122.823 0.013 . 1 . . 28 . . 234 GLU N . 50014 1 125 . 1 . 1 28 28 VAL H H 1 8.165 0.001 . 1 . . 35 . . 235 VAL H . 50014 1 126 . 1 . 1 28 28 VAL C C 13 176.014 0.05 . 1 . . 264 . . 235 VAL C . 50014 1 127 . 1 . 1 28 28 VAL CA C 13 62.513 0.006 . 1 . . 37 . . 235 VAL CA . 50014 1 128 . 1 . 1 28 28 VAL CB C 13 32.663 0.05 . 1 . . 203 . . 235 VAL CB . 50014 1 129 . 1 . 1 28 28 VAL N N 15 122.335 0.014 . 1 . . 36 . . 235 VAL N . 50014 1 130 . 1 . 1 29 29 LYS H H 1 8.302 0.0 . 1 . . 252 . . 236 LYS H . 50014 1 131 . 1 . 1 29 29 LYS CA C 13 56.393 0.037 . 1 . . 3 . . 236 LYS CA . 50014 1 132 . 1 . 1 29 29 LYS CB C 13 32.820 0.018 . 1 . . 53 . . 236 LYS CB . 50014 1 133 . 1 . 1 29 29 LYS N N 15 125.113 0.015 . 1 . . 253 . . 236 LYS N . 50014 1 134 . 1 . 1 30 30 ARG H H 1 8.162 0.002 . 1 . . 51 . . 237 ARG H . 50014 1 135 . 1 . 1 30 30 ARG C C 13 175.915 0.05 . 1 . . 229 . . 237 ARG C . 50014 1 136 . 1 . 1 30 30 ARG CA C 13 56.190 0.077 . 1 . . 56 . . 237 ARG CA . 50014 1 137 . 1 . 1 30 30 ARG CB C 13 30.854 0.021 . 1 . . 112 . . 237 ARG CB . 50014 1 138 . 1 . 1 30 30 ARG N N 15 122.193 0.036 . 1 . . 52 . . 237 ARG N . 50014 1 139 . 1 . 1 31 31 TYR H H 1 8.121 0.003 . 1 . . 109 . . 238 TYR H . 50014 1 140 . 1 . 1 31 31 TYR C C 13 175.611 0.05 . 1 . . 206 . . 238 TYR C . 50014 1 141 . 1 . 1 31 31 TYR CA C 13 57.720 0.033 . 1 . . 111 . . 238 TYR CA . 50014 1 142 . 1 . 1 31 31 TYR CB C 13 38.695 0.009 . 1 . . 7 . . 238 TYR CB . 50014 1 143 . 1 . 1 31 31 TYR N N 15 120.635 0.017 . 1 . . 110 . . 238 TYR N . 50014 1 144 . 1 . 1 32 32 ALA H H 1 8.142 0.001 . 1 . . 5 . . 239 ALA H . 50014 1 145 . 1 . 1 32 32 ALA C C 13 177.216 0.05 . 1 . . 239 . . 239 ALA C . 50014 1 146 . 1 . 1 32 32 ALA CA C 13 52.719 0.025 . 1 . . 8 . . 239 ALA CA . 50014 1 147 . 1 . 1 32 32 ALA CB C 13 19.316 0.015 . 1 . . 154 . . 239 ALA CB . 50014 1 148 . 1 . 1 32 32 ALA N N 15 124.793 0.005 . 1 . . 6 . . 239 ALA N . 50014 1 149 . 1 . 1 33 33 ASN H H 1 8.255 0.001 . 1 . . 151 . . 240 ASN H . 50014 1 150 . 1 . 1 33 33 ASN C C 13 175.367 0.05 . 1 . . 213 . . 240 ASN C . 50014 1 151 . 1 . 1 33 33 ASN CA C 13 53.267 0.047 . 1 . . 153 . . 240 ASN CA . 50014 1 152 . 1 . 1 33 33 ASN CB C 13 38.521 0.015 . 1 . . 42 . . 240 ASN CB . 50014 1 153 . 1 . 1 33 33 ASN N N 15 117.196 0.009 . 1 . . 152 . . 240 ASN N . 50014 1 154 . 1 . 1 34 34 LEU H H 1 8.095 0.001 . 1 . . 39 . . 241 LEU H . 50014 1 155 . 1 . 1 34 34 LEU C C 13 177.349 0.05 . 1 . . 210 . . 241 LEU C . 50014 1 156 . 1 . 1 34 34 LEU CA C 13 55.458 0.023 . 1 . . 41 . . 241 LEU CA . 50014 1 157 . 1 . 1 34 34 LEU CB C 13 42.090 0.005 . 1 . . 23 . . 241 LEU CB . 50014 1 158 . 1 . 1 34 34 LEU N N 15 122.477 0.008 . 1 . . 40 . . 241 LEU N . 50014 1 159 . 1 . 1 35 35 ALA H H 1 8.135 0.0 . 1 . . 20 . . 242 ALA H . 50014 1 160 . 1 . 1 35 35 ALA C C 13 178.280 0.05 . 1 . . 246 . . 242 ALA C . 50014 1 161 . 1 . 1 35 35 ALA CA C 13 52.914 0.031 . 1 . . 22 . . 242 ALA CA . 50014 1 162 . 1 . 1 35 35 ALA CB C 13 19.029 0.012 . 1 . . 166 . . 242 ALA CB . 50014 1 163 . 1 . 1 35 35 ALA N N 15 123.637 0.007 . 1 . . 21 . . 242 ALA N . 50014 1 164 . 1 . 1 36 36 GLY H H 1 8.168 0.001 . 1 . . 163 . . 243 GLY H . 50014 1 165 . 1 . 1 36 36 GLY C C 13 174.476 0.05 . 1 . . 219 . . 243 GLY C . 50014 1 166 . 1 . 1 36 36 GLY CA C 13 45.380 0.014 . 1 . . 165 . . 243 GLY CA . 50014 1 167 . 1 . 1 36 36 GLY N N 15 107.531 0.006 . 1 . . 164 . . 243 GLY N . 50014 1 168 . 1 . 1 37 37 LEU H H 1 7.988 0.001 . 1 . . 70 . . 244 LEU H . 50014 1 169 . 1 . 1 37 37 LEU C C 13 178.091 0.05 . 1 . . 245 . . 244 LEU C . 50014 1 170 . 1 . 1 37 37 LEU CA C 13 55.530 0.029 . 1 . . 185 . . 244 LEU CA . 50014 1 171 . 1 . 1 37 37 LEU CB C 13 42.245 0.021 . 1 . . 184 . . 244 LEU CB . 50014 1 172 . 1 . 1 37 37 LEU N N 15 121.381 0.03 . 1 . . 71 . . 244 LEU N . 50014 1 173 . 1 . 1 38 38 GLY H H 1 8.358 0.002 . 1 . . 167 . . 245 GLY H . 50014 1 174 . 1 . 1 38 38 GLY C C 13 173.922 0.05 . 1 . . 211 . . 245 GLY C . 50014 1 175 . 1 . 1 38 38 GLY CA C 13 45.312 0.007 . 1 . . 26 . . 245 GLY CA . 50014 1 176 . 1 . 1 38 38 GLY N N 15 109.288 0.009 . 1 . . 168 . . 245 GLY N . 50014 1 177 . 1 . 1 39 39 ALA H H 1 7.998 0.0 . 1 . . 24 . . 246 ALA H . 50014 1 178 . 1 . 1 39 39 ALA C C 13 177.740 0.05 . 1 . . 248 . . 246 ALA C . 50014 1 179 . 1 . 1 39 39 ALA CA C 13 52.485 0.022 . 1 . . 145 . . 246 ALA CA . 50014 1 180 . 1 . 1 39 39 ALA CB C 13 19.239 0.019 . 1 . . 146 . . 246 ALA CB . 50014 1 181 . 1 . 1 39 39 ALA N N 15 123.566 0.006 . 1 . . 25 . . 246 ALA N . 50014 1 182 . 1 . 1 40 40 ARG H H 1 8.207 0.0 . 1 . . 143 . . 247 ARG H . 50014 1 183 . 1 . 1 40 40 ARG C C 13 175.965 0.05 . 1 . . 237 . . 247 ARG C . 50014 1 184 . 1 . 1 40 40 ARG CA C 13 56.100 0.022 . 1 . . 140 . . 247 ARG CA . 50014 1 185 . 1 . 1 40 40 ARG CB C 13 30.754 0.03 . 1 . . 142 . . 247 ARG CB . 50014 1 186 . 1 . 1 40 40 ARG N N 15 119.657 0.008 . 1 . . 144 . . 247 ARG N . 50014 1 187 . 1 . 1 41 41 ASN H H 1 8.393 0.002 . 1 . . 138 . . 248 ASN H . 50014 1 188 . 1 . 1 41 41 ASN C C 13 175.031 0.05 . 1 . . 235 . . 248 ASN C . 50014 1 189 . 1 . 1 41 41 ASN CA C 13 53.208 0.015 . 1 . . 141 . . 248 ASN CA . 50014 1 190 . 1 . 1 41 41 ASN CB C 13 38.787 0.006 . 1 . . 126 . . 248 ASN CB . 50014 1 191 . 1 . 1 41 41 ASN N N 15 119.879 0.012 . 1 . . 139 . . 248 ASN N . 50014 1 192 . 1 . 1 42 42 VAL H H 1 7.979 0.001 . 1 . . 200 . . 249 VAL H . 50014 1 193 . 1 . 1 42 42 VAL C C 13 175.954 0.05 . 1 . . 207 . . 249 VAL C . 50014 1 194 . 1 . 1 42 42 VAL CA C 13 62.437 0.034 . 1 . . 205 . . 249 VAL CA . 50014 1 195 . 1 . 1 42 42 VAL CB C 13 32.733 0.001 . 1 . . 250 . . 249 VAL CB . 50014 1 196 . 1 . 1 42 42 VAL N N 15 120.216 0.009 . 1 . . 201 . . 249 VAL N . 50014 1 197 . 1 . 1 43 43 LYS H H 1 8.280 0.001 . 1 . . 194 . . 250 LYS H . 50014 1 198 . 1 . 1 43 43 LYS C C 13 176.268 0.05 . 1 . . 212 . . 250 LYS C . 50014 1 199 . 1 . 1 43 43 LYS CA C 13 56.434 0.067 . 1 . . 199 . . 250 LYS CA . 50014 1 200 . 1 . 1 43 43 LYS CB C 13 32.917 0.053 . 1 . . 33 . . 250 LYS CB . 50014 1 201 . 1 . 1 43 43 LYS N N 15 124.653 0.008 . 1 . . 195 . . 250 LYS N . 50014 1 202 . 1 . 1 44 44 GLU H H 1 8.360 0.002 . 1 . . 31 . . 251 GLU H . 50014 1 203 . 1 . 1 44 44 GLU C C 13 176.155 0.05 . 1 . . 208 . . 251 GLU C . 50014 1 204 . 1 . 1 44 44 GLU CA C 13 56.633 0.016 . 1 . . 34 . . 251 GLU CA . 50014 1 205 . 1 . 1 44 44 GLU CB C 13 30.189 0.013 . 1 . . 14 . . 251 GLU CB . 50014 1 206 . 1 . 1 44 44 GLU N N 15 122.442 0.009 . 1 . . 32 . . 251 GLU N . 50014 1 207 . 1 . 1 45 45 ALA H H 1 8.225 0.0 . 1 . . 11 . . 252 ALA H . 50014 1 208 . 1 . 1 45 45 ALA C C 13 177.815 0.05 . 1 . . 233 . . 252 ALA C . 50014 1 209 . 1 . 1 45 45 ALA CA C 13 52.526 0.037 . 1 . . 13 . . 252 ALA CA . 50014 1 210 . 1 . 1 45 45 ALA CB C 13 19.369 0.011 . 1 . . 137 . . 252 ALA CB . 50014 1 211 . 1 . 1 45 45 ALA N N 15 124.438 0.006 . 1 . . 12 . . 252 ALA N . 50014 1 212 . 1 . 1 46 46 GLU H H 1 8.358 0.002 . 1 . . 135 . . 253 GLU H . 50014 1 213 . 1 . 1 46 46 GLU C C 13 176.393 0.05 . 1 . . 223 . . 253 GLU C . 50014 1 214 . 1 . 1 46 46 GLU CA C 13 56.580 0.033 . 1 . . 87 . . 253 GLU CA . 50014 1 215 . 1 . 1 46 46 GLU CB C 13 30.189 0.007 . 1 . . 95 . . 253 GLU CB . 50014 1 216 . 1 . 1 46 46 GLU N N 15 120.241 0.007 . 1 . . 136 . . 253 GLU N . 50014 1 217 . 1 . 1 47 47 ASP H H 1 8.280 0.001 . 1 . . 85 . . 254 ASP H . 50014 1 218 . 1 . 1 47 47 ASP CA C 13 54.405 0.027 . 1 . . 96 . . 254 ASP CA . 50014 1 219 . 1 . 1 47 47 ASP CB C 13 41.197 0.05 . 1 . . 186 . . 254 ASP CB . 50014 1 220 . 1 . 1 47 47 ASP N N 15 121.052 0.007 . 1 . . 86 . . 254 ASP N . 50014 1 stop_ save_