################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27674 _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 $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/HMQC' . . isotropic 27674 1 2 '3D HNCO' . . isotropic 27674 1 3 'HN(CA)CO (H[N[ca[CO]]])' . . isotropic 27674 1 4 '3D HNCA' . . isotropic 27674 1 5 '3D HN(CO)CA' . . isotropic 27674 1 6 '3D HNCACB' . . isotropic 27674 1 7 'CBCACONH (H[N[co[{CA|ca[C]}]]])' . . isotropic 27674 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 1 $CcpNmr_Analysis . . 27674 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.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 ALA C C 13 173.850 0.002 . 1 . . 258 . . 1 ALA C . 27674 1 2 . 1 1 1 1 ALA CA C 13 51.909 . . 1 . . 256 . . 1 ALA CA . 27674 1 3 . 1 1 1 1 ALA CB C 13 19.613 . . 1 . . 257 . . 1 ALA CB . 27674 1 4 . 1 1 2 2 PHE H H 1 8.680 0.005 . 1 . . 180 . . 2 PHE H . 27674 1 5 . 1 1 2 2 PHE C C 13 174.485 0.013 . 1 . . 254 . . 2 PHE C . 27674 1 6 . 1 1 2 2 PHE CA C 13 59.320 0.005 . 1 . . 253 . . 2 PHE CA . 27674 1 7 . 1 1 2 2 PHE CB C 13 39.764 0.015 . 1 . . 255 . . 2 PHE CB . 27674 1 8 . 1 1 2 2 PHE N N 15 119.574 0.025 . 1 . . 179 . . 2 PHE N . 27674 1 9 . 1 1 3 3 PHE H H 1 7.603 0.001 . 1 . . 12 . . 3 PHE H . 27674 1 10 . 1 1 3 3 PHE C C 13 173.944 0.008 . 1 . . 251 . . 3 PHE C . 27674 1 11 . 1 1 3 3 PHE CA C 13 57.069 0.006 . 1 . . 249 . . 3 PHE CA . 27674 1 12 . 1 1 3 3 PHE CB C 13 39.695 0.026 . 1 . . 181 . . 3 PHE CB . 27674 1 13 . 1 1 3 3 PHE N N 15 117.192 0.011 . 1 . . 11 . . 3 PHE N . 27674 1 14 . 1 1 4 4 ASP H H 1 7.638 0.001 . 1 . . 60 . . 4 ASP H . 27674 1 15 . 1 1 4 4 ASP C C 13 174.879 . . 1 . . 252 . . 4 ASP C . 27674 1 16 . 1 1 4 4 ASP CA C 13 52.265 0.003 . 1 . . 248 . . 4 ASP CA . 27674 1 17 . 1 1 4 4 ASP CB C 13 42.395 . . 1 . . 250 . . 4 ASP CB . 27674 1 18 . 1 1 4 4 ASP N N 15 123.291 0.011 . 1 . . 59 . . 4 ASP N . 27674 1 19 . 1 1 5 5 PRO C C 13 177.738 . . 1 . . 220 . . 5 PRO C . 27674 1 20 . 1 1 5 5 PRO CA C 13 64.852 0.002 . 1 . . 221 . . 5 PRO CA . 27674 1 21 . 1 1 5 5 PRO CB C 13 32.087 . . 1 . . 222 . . 5 PRO CB . 27674 1 22 . 1 1 6 6 ARG H H 1 8.624 0.002 . 1 . . 38 . . 6 ARG H . 27674 1 23 . 1 1 6 6 ARG C C 13 177.921 0.036 . 1 . . 219 . . 6 ARG C . 27674 1 24 . 1 1 6 6 ARG CA C 13 58.165 0.03 . 1 . . 202 . . 6 ARG CA . 27674 1 25 . 1 1 6 6 ARG CB C 13 29.754 0.062 . 1 . . 201 . . 6 ARG CB . 27674 1 26 . 1 1 6 6 ARG N N 15 118.457 0.029 . 1 . . 37 . . 6 ARG N . 27674 1 27 . 1 1 7 7 PHE H H 1 8.002 0.002 . 1 . . 8 . . 7 PHE H . 27674 1 28 . 1 1 7 7 PHE C C 13 177.188 . . 1 . . 218 . . 7 PHE C . 27674 1 29 . 1 1 7 7 PHE CA C 13 59.562 0.005 . 1 . . 199 . . 7 PHE CA . 27674 1 30 . 1 1 7 7 PHE CB C 13 38.954 0.051 . 1 . . 200 . . 7 PHE CB . 27674 1 31 . 1 1 7 7 PHE N N 15 118.543 0.039 . 1 . . 7 . . 7 PHE N . 27674 1 32 . 1 1 8 8 ARG H H 1 8.041 0.002 . 1 . . 72 . . 8 ARG H . 27674 1 33 . 1 1 8 8 ARG C C 13 177.510 0.015 . 1 . . 217 . . 8 ARG C . 27674 1 34 . 1 1 8 8 ARG CA C 13 58.622 0.036 . 1 . . 198 . . 8 ARG CA . 27674 1 35 . 1 1 8 8 ARG CB C 13 30.243 0.02 . 1 . . 197 . . 8 ARG CB . 27674 1 36 . 1 1 8 8 ARG N N 15 119.616 0.049 . 1 . . 71 . . 8 ARG N . 27674 1 37 . 1 1 9 9 GLN H H 1 8.143 0.002 . 1 . . 104 . . 9 GLN H . 27674 1 38 . 1 1 9 9 GLN C C 13 177.181 0.013 . 1 . . 215 . . 9 GLN C . 27674 1 39 . 1 1 9 9 GLN CA C 13 57.761 0.023 . 1 . . 195 . . 9 GLN CA . 27674 1 40 . 1 1 9 9 GLN CB C 13 28.780 0.06 . 1 . . 196 . . 9 GLN CB . 27674 1 41 . 1 1 9 9 GLN N N 15 119.038 0.012 . 1 . . 103 . . 9 GLN N . 27674 1 42 . 1 1 10 10 ALA H H 1 8.092 0.002 . 1 . . 24 . . 10 ALA H . 27674 1 43 . 1 1 10 10 ALA C C 13 178.535 0.004 . 1 . . 216 . . 10 ALA C . 27674 1 44 . 1 1 10 10 ALA CA C 13 54.207 0.049 . 1 . . 194 . . 10 ALA CA . 27674 1 45 . 1 1 10 10 ALA CB C 13 19.039 0.045 . 1 . . 193 . . 10 ALA CB . 27674 1 46 . 1 1 10 10 ALA N N 15 122.416 0.035 . 1 . . 23 . . 10 ALA N . 27674 1 47 . 1 1 11 11 SER H H 1 8.019 0.001 . 1 . . 112 . . 11 SER H . 27674 1 48 . 1 1 11 11 SER C C 13 175.571 0.014 . 1 . . 214 . . 11 SER C . 27674 1 49 . 1 1 11 11 SER CA C 13 60.745 0.02 . 1 . . 192 . . 11 SER CA . 27674 1 50 . 1 1 11 11 SER CB C 13 63.670 0.043 . 1 . . 191 . . 11 SER CB . 27674 1 51 . 1 1 11 11 SER N N 15 112.934 0.011 . 1 . . 111 . . 11 SER N . 27674 1 52 . 1 1 12 12 THR H H 1 8.030 0.001 . 1 . . 46 . . 12 THR H . 27674 1 53 . 1 1 12 12 THR C C 13 176.270 0.005 . 1 . . 213 . . 12 THR C . 27674 1 54 . 1 1 12 12 THR CA C 13 64.915 0.021 . 1 . . 212 . . 12 THR CA . 27674 1 55 . 1 1 12 12 THR CB C 13 68.945 0.046 . 1 . . 190 . . 12 THR CB . 27674 1 56 . 1 1 12 12 THR N N 15 114.566 0.023 . 1 . . 45 . . 12 THR N . 27674 1 57 . 1 1 13 13 SER H H 1 8.061 0.001 . 1 . . 90 . . 13 SER H . 27674 1 58 . 1 1 13 13 SER C C 13 175.809 0.013 . 1 . . 209 . . 13 SER C . 27674 1 59 . 1 1 13 13 SER CA C 13 61.033 0.012 . 1 . . 207 . . 13 SER CA . 27674 1 60 . 1 1 13 13 SER CB C 13 63.643 0.287 . 1 . . 206 . . 13 SER CB . 27674 1 61 . 1 1 13 13 SER N N 15 117.194 0.02 . 1 . . 89 . . 13 SER N . 27674 1 62 . 1 1 14 14 MET H H 1 7.962 0.002 . 1 . . 86 . . 14 MET H . 27674 1 63 . 1 1 14 14 MET C C 13 176.658 0.017 . 1 . . 150 . . 14 MET C . 27674 1 64 . 1 1 14 14 MET CA C 13 57.744 0.04 . 1 . . 148 . . 14 MET CA . 27674 1 65 . 1 1 14 14 MET CB C 13 33.090 0.0 . 1 . . 149 . . 14 MET CB . 27674 1 66 . 1 1 14 14 MET N N 15 119.899 0.02 . 1 . . 85 . . 14 MET N . 27674 1 67 . 1 1 15 15 LEU H H 1 7.794 0.003 . 1 . . 106 . . 15 LEU H . 27674 1 68 . 1 1 15 15 LEU C C 13 177.202 0.01 . 1 . . 165 . . 15 LEU C . 27674 1 69 . 1 1 15 15 LEU CA C 13 56.284 0.013 . 1 . . 147 . . 15 LEU CA . 27674 1 70 . 1 1 15 15 LEU CB C 13 42.308 0.009 . 1 . . 146 . . 15 LEU CB . 27674 1 71 . 1 1 15 15 LEU N N 15 117.843 0.01 . 1 . . 105 . . 15 LEU N . 27674 1 72 . 1 1 16 16 CYS H H 1 7.879 0.001 . 1 . . 68 . . 16 CYS H . 27674 1 73 . 1 1 16 16 CYS C C 13 175.183 0.011 . 1 . . 187 . . 16 CYS C . 27674 1 74 . 1 1 16 16 CYS CA C 13 59.563 0.009 . 1 . . 188 . . 16 CYS CA . 27674 1 75 . 1 1 16 16 CYS CB C 13 27.724 0.008 . 1 . . 186 . . 16 CYS CB . 27674 1 76 . 1 1 16 16 CYS N N 15 115.811 0.013 . 1 . . 67 . . 16 CYS N . 27674 1 77 . 1 1 17 17 CYS H H 1 8.106 0.001 . 1 . . 20 . . 17 CYS H . 27674 1 78 . 1 1 17 17 CYS C C 13 175.367 0.008 . 1 . . 185 . . 17 CYS C . 27674 1 79 . 1 1 17 17 CYS CA C 13 59.717 0.028 . 1 . . 183 . . 17 CYS CA . 27674 1 80 . 1 1 17 17 CYS CB C 13 27.881 0.05 . 1 . . 184 . . 17 CYS CB . 27674 1 81 . 1 1 17 17 CYS N N 15 119.104 0.01 . 1 . . 19 . . 17 CYS N . 27674 1 82 . 1 1 18 18 GLY H H 1 8.496 0.002 . 1 . . 120 . . 18 GLY H . 27674 1 83 . 1 1 18 18 GLY C C 13 174.494 0.004 . 1 . . 163 . . 18 GLY C . 27674 1 84 . 1 1 18 18 GLY CA C 13 46.086 0.035 . 1 . . 164 . . 18 GLY CA . 27674 1 85 . 1 1 18 18 GLY N N 15 109.659 0.043 . 1 . . 119 . . 18 GLY N . 27674 1 86 . 1 1 19 19 GLN H H 1 8.209 0.001 . 1 . . 132 . . 19 GLN H . 27674 1 87 . 1 1 19 19 GLN C C 13 176.545 0.007 . 1 . . 161 . . 19 GLN C . 27674 1 88 . 1 1 19 19 GLN CA C 13 56.604 0.036 . 1 . . 160 . . 19 GLN CA . 27674 1 89 . 1 1 19 19 GLN CB C 13 29.460 0.011 . 1 . . 162 . . 19 GLN CB . 27674 1 90 . 1 1 19 19 GLN N N 15 119.542 0.013 . 1 . . 131 . . 19 GLN N . 27674 1 91 . 1 1 20 20 SER H H 1 8.300 0.001 . 1 . . 10 . . 20 SER H . 27674 1 92 . 1 1 20 20 SER C C 13 175.116 0.013 . 1 . . 159 . . 20 SER C . 27674 1 93 . 1 1 20 20 SER CA C 13 59.140 0.017 . 1 . . 157 . . 20 SER CA . 27674 1 94 . 1 1 20 20 SER CB C 13 63.723 0.058 . 1 . . 158 . . 20 SER CB . 27674 1 95 . 1 1 20 20 SER N N 15 115.884 0.011 . 1 . . 9 . . 20 SER N . 27674 1 96 . 1 1 21 21 ARG H H 1 8.253 0.001 . 1 . . 98 . . 21 ARG H . 27674 1 97 . 1 1 21 21 ARG C C 13 176.599 0.008 . 1 . . 139 . . 21 ARG C . 27674 1 98 . 1 1 21 21 ARG CA C 13 56.625 0.031 . 1 . . 137 . . 21 ARG CA . 27674 1 99 . 1 1 21 21 ARG CB C 13 30.640 0.032 . 1 . . 138 . . 21 ARG CB . 27674 1 100 . 1 1 21 21 ARG N N 15 122.308 0.01 . 1 . . 97 . . 21 ARG N . 27674 1 101 . 1 1 22 22 SER H H 1 8.177 0.001 . 1 . . 56 . . 22 SER H . 27674 1 102 . 1 1 22 22 SER C C 13 174.539 0.001 . 1 . . 182 . . 22 SER C . 27674 1 103 . 1 1 22 22 SER CA C 13 58.604 0.04 . 1 . . 135 . . 22 SER CA . 27674 1 104 . 1 1 22 22 SER CB C 13 64.026 0.007 . 1 . . 136 . . 22 SER CB . 27674 1 105 . 1 1 22 22 SER N N 15 115.642 0.009 . 1 . . 55 . . 22 SER N . 27674 1 106 . 1 1 23 23 ALA H H 1 8.227 0.001 . 1 . . 96 . . 23 ALA H . 27674 1 107 . 1 1 23 23 ALA C C 13 178.279 0.001 . 1 . . 203 . . 23 ALA C . 27674 1 108 . 1 1 23 23 ALA CA C 13 52.955 0.03 . 1 . . 134 . . 23 ALA CA . 27674 1 109 . 1 1 23 23 ALA CB C 13 19.383 0.004 . 1 . . 133 . . 23 ALA CB . 27674 1 110 . 1 1 23 23 ALA N N 15 125.585 0.01 . 1 . . 95 . . 23 ALA N . 27674 1 111 . 1 1 24 24 GLY H H 1 8.309 0.001 . 1 . . 6 . . 24 GLY H . 27674 1 112 . 1 1 24 24 GLY C C 13 174.585 0.001 . 1 . . 204 . . 24 GLY C . 27674 1 113 . 1 1 24 24 GLY CA C 13 45.640 0.048 . 1 . . 205 . . 24 GLY CA . 27674 1 114 . 1 1 24 24 GLY N N 15 107.474 0.026 . 1 . . 5 . . 24 GLY N . 27674 1 115 . 1 1 25 25 THR H H 1 7.975 0.001 . 1 . . 64 . . 25 THR H . 27674 1 116 . 1 1 25 25 THR C C 13 174.845 0.005 . 1 . . 241 . . 25 THR C . 27674 1 117 . 1 1 25 25 THR CA C 13 61.910 0.018 . 1 . . 239 . . 25 THR CA . 27674 1 118 . 1 1 25 25 THR CB C 13 69.963 0.04 . 1 . . 240 . . 25 THR CB . 27674 1 119 . 1 1 25 25 THR N N 15 112.825 0.012 . 1 . . 63 . . 25 THR N . 27674 1 120 . 1 1 26 26 SER H H 1 8.289 0.001 . 1 . . 36 . . 26 SER H . 27674 1 121 . 1 1 26 26 SER C C 13 174.527 . . 1 . . 242 . . 26 SER C . 27674 1 122 . 1 1 26 26 SER CA C 13 58.610 . . 1 . . 243 . . 26 SER CA . 27674 1 123 . 1 1 26 26 SER CB C 13 63.940 . . 1 . . 244 . . 26 SER CB . 27674 1 124 . 1 1 26 26 SER N N 15 117.705 0.009 . 1 . . 35 . . 26 SER N . 27674 1 125 . 1 1 27 27 HIS H H 1 8.430 0.004 . 1 . . 28 . . 27 HIS H . 27674 1 126 . 1 1 27 27 HIS N N 15 122.058 0.039 . 1 . . 27 . . 27 HIS N . 27674 1 127 . 1 1 34 34 SER H H 1 8.210 0.001 . 1 . . 126 . . 34 SER H . 27674 1 128 . 1 1 34 34 SER C C 13 174.469 0.003 . 1 . . 264 . . 34 SER C . 27674 1 129 . 1 1 34 34 SER CA C 13 58.526 0.033 . 1 . . 142 . . 34 SER CA . 27674 1 130 . 1 1 34 34 SER CB C 13 64.038 0.007 . 1 . . 143 . . 34 SER CB . 27674 1 131 . 1 1 34 34 SER N N 15 116.492 0.011 . 1 . . 125 . . 34 SER N . 27674 1 132 . 1 1 35 35 ALA H H 1 8.277 0.001 . 1 . . 58 . . 35 ALA H . 27674 1 133 . 1 1 35 35 ALA C C 13 177.742 0.007 . 1 . . 265 . . 35 ALA C . 27674 1 134 . 1 1 35 35 ALA CA C 13 52.805 0.004 . 1 . . 262 . . 35 ALA CA . 27674 1 135 . 1 1 35 35 ALA CB C 13 19.258 0.002 . 1 . . 259 . . 35 ALA CB . 27674 1 136 . 1 1 35 35 ALA N N 15 125.844 0.008 . 1 . . 57 . . 35 ALA N . 27674 1 137 . 1 1 36 36 SER H H 1 8.126 0.001 . 1 . . 124 . . 36 SER H . 27674 1 138 . 1 1 36 36 SER C C 13 174.384 0.003 . 1 . . 263 . . 36 SER C . 27674 1 139 . 1 1 36 36 SER CA C 13 58.515 0.013 . 1 . . 261 . . 36 SER CA . 27674 1 140 . 1 1 36 36 SER CB C 13 63.941 0.015 . 1 . . 260 . . 36 SER CB . 27674 1 141 . 1 1 36 36 SER N N 15 114.411 0.019 . 1 . . 123 . . 36 SER N . 27674 1 142 . 1 1 37 37 TYR H H 1 8.040 0.001 . 1 . . 100 . . 37 TYR H . 27674 1 143 . 1 1 37 37 TYR C C 13 175.962 . . 1 . . 307 . . 37 TYR C . 27674 1 144 . 1 1 37 37 TYR CA C 13 58.258 . . 1 . . 306 . . 37 TYR CA . 27674 1 145 . 1 1 37 37 TYR CB C 13 38.820 . . 1 . . 305 . . 37 TYR CB . 27674 1 146 . 1 1 37 37 TYR N N 15 121.843 0.008 . 1 . . 99 . . 37 TYR N . 27674 1 147 . 1 1 43 43 GLN C C 13 176.001 0.002 . 1 . . 280 . . 43 GLN C . 27674 1 148 . 1 1 43 43 GLN CA C 13 55.947 0.003 . 1 . . 278 . . 43 GLN CA . 27674 1 149 . 1 1 43 43 GLN CB C 13 29.803 0.034 . 1 . . 279 . . 43 GLN CB . 27674 1 150 . 1 1 44 44 GLY H H 1 8.212 0.003 . 1 . . 2 . . 44 GLY H . 27674 1 151 . 1 1 44 44 GLY C C 13 171.817 . . 1 . . 281 . . 44 GLY C . 27674 1 152 . 1 1 44 44 GLY CA C 13 44.624 0.004 . 1 . . 277 . . 44 GLY CA . 27674 1 153 . 1 1 44 44 GLY N N 15 109.994 0.028 . 1 . . 1 . . 44 GLY N . 27674 1 154 . 1 1 45 45 PRO C C 13 177.286 . . 1 . . 269 . . 45 PRO C . 27674 1 155 . 1 1 45 45 PRO CA C 13 63.433 0.01 . 1 . . 267 . . 45 PRO CA . 27674 1 156 . 1 1 45 45 PRO CB C 13 32.359 0.031 . 1 . . 268 . . 45 PRO CB . 27674 1 157 . 1 1 46 46 GLY H H 1 8.203 0.004 . 1 . . 102 . . 46 GLY H . 27674 1 158 . 1 1 46 46 GLY C C 13 172.042 . . 1 . . 270 . . 46 GLY C . 27674 1 159 . 1 1 46 46 GLY CA C 13 44.690 0.023 . 1 . . 266 . . 46 GLY CA . 27674 1 160 . 1 1 46 46 GLY N N 15 108.958 0.067 . 1 . . 101 . . 46 GLY N . 27674 1 161 . 1 1 47 47 PRO C C 13 176.921 0.014 . 1 . . 304 . . 47 PRO C . 27674 1 162 . 1 1 47 47 PRO CA C 13 63.475 0.029 . 1 . . 302 . . 47 PRO CA . 27674 1 163 . 1 1 47 47 PRO CB C 13 32.182 0.023 . 1 . . 299 . . 47 PRO CB . 27674 1 164 . 1 1 48 48 ASN H H 1 8.514 0.001 . 1 . . 52 . . 48 ASN H . 27674 1 165 . 1 1 48 48 ASN C C 13 175.300 . . 1 . . 303 . . 48 ASN C . 27674 1 166 . 1 1 48 48 ASN CA C 13 53.500 0.019 . 1 . . 301 . . 48 ASN CA . 27674 1 167 . 1 1 48 48 ASN CB C 13 38.726 . . 1 . . 300 . . 48 ASN CB . 27674 1 168 . 1 1 48 48 ASN N N 15 118.223 0.008 . 1 . . 51 . . 48 ASN N . 27674 1 169 . 1 1 49 49 MET C C 13 176.654 0.011 . 1 . . 288 . . 49 MET C . 27674 1 170 . 1 1 49 49 MET CA C 13 55.737 0.051 . 1 . . 290 . . 49 MET CA . 27674 1 171 . 1 1 49 49 MET CB C 13 32.802 . . 1 . . 289 . . 49 MET CB . 27674 1 172 . 1 1 50 50 GLY H H 1 8.371 0.002 . 1 . . 285 . . 50 GLY H . 27674 1 173 . 1 1 50 50 GLY C C 13 174.253 . . 1 . . 287 . . 50 GLY C . 27674 1 174 . 1 1 50 50 GLY CA C 13 45.456 0.002 . 1 . . 312 . . 50 GLY CA . 27674 1 175 . 1 1 50 50 GLY N N 15 109.459 0.011 . 1 . . 286 . . 50 GLY N . 27674 1 176 . 1 1 51 51 LYS H H 1 8.189 0.001 . 1 . . 94 . . 51 LYS H . 27674 1 177 . 1 1 51 51 LYS C C 13 177.253 0.005 . 1 . . 291 . . 51 LYS C . 27674 1 178 . 1 1 51 51 LYS CA C 13 56.501 0.021 . 1 . . 292 . . 51 LYS CA . 27674 1 179 . 1 1 51 51 LYS CB C 13 33.091 0.015 . 1 . . 293 . . 51 LYS CB . 27674 1 180 . 1 1 51 51 LYS N N 15 120.752 0.007 . 1 . . 93 . . 51 LYS N . 27674 1 181 . 1 1 52 52 GLY H H 1 8.494 0.001 . 1 . . 4 . . 52 GLY H . 27674 1 182 . 1 1 52 52 GLY C C 13 174.748 0.019 . 1 . . 282 . . 52 GLY C . 27674 1 183 . 1 1 52 52 GLY CA C 13 45.527 0.043 . 1 . . 284 . . 52 GLY CA . 27674 1 184 . 1 1 52 52 GLY N N 15 109.951 0.017 . 1 . . 3 . . 52 GLY N . 27674 1 185 . 1 1 53 53 GLY H H 1 8.242 0.002 . 1 . . 16 . . 53 GLY H . 27674 1 186 . 1 1 53 53 GLY C C 13 174.434 . . 1 . . 283 . . 53 GLY C . 27674 1 187 . 1 1 53 53 GLY CA C 13 45.466 0.011 . 1 . . 140 . . 53 GLY CA . 27674 1 188 . 1 1 53 53 GLY N N 15 108.725 0.017 . 1 . . 15 . . 53 GLY N . 27674 1 189 . 1 1 62 62 PRO C C 13 176.480 . . 1 . . 273 . . 62 PRO C . 27674 1 190 . 1 1 62 62 PRO CA C 13 63.383 0.005 . 1 . . 271 . . 62 PRO CA . 27674 1 191 . 1 1 62 62 PRO CB C 13 31.932 0.036 . 1 . . 275 . . 62 PRO CB . 27674 1 192 . 1 1 63 63 TYR H H 1 8.033 0.001 . 1 . . 18 . . 63 TYR H . 27674 1 193 . 1 1 63 63 TYR C C 13 175.864 0.095 . 1 . . 274 . . 63 TYR C . 27674 1 194 . 1 1 63 63 TYR CA C 13 58.098 0.007 . 1 . . 272 . . 63 TYR CA . 27674 1 195 . 1 1 63 63 TYR CB C 13 38.819 0.063 . 1 . . 276 . . 63 TYR CB . 27674 1 196 . 1 1 63 63 TYR N N 15 120.158 0.008 . 1 . . 17 . . 63 TYR N . 27674 1 197 . 1 1 64 64 SER H H 1 8.116 0.001 . 1 . . 26 . . 64 SER H . 27674 1 198 . 1 1 64 64 SER C C 13 174.517 . . 1 . . 295 . . 64 SER C . 27674 1 199 . 1 1 64 64 SER CA C 13 58.181 0.064 . 1 . . 311 . . 64 SER CA . 27674 1 200 . 1 1 64 64 SER CB C 13 64.071 . . 1 . . 294 . . 64 SER CB . 27674 1 201 . 1 1 64 64 SER N N 15 116.968 0.011 . 1 . . 25 . . 64 SER N . 27674 1 202 . 1 1 65 65 GLN H H 1 8.319 0.001 . 1 . . 128 . . 65 GLN H . 27674 1 203 . 1 1 65 65 GLN C C 13 175.910 0.002 . 1 . . 310 . . 65 GLN C . 27674 1 204 . 1 1 65 65 GLN CA C 13 56.211 0.042 . 1 . . 308 . . 65 GLN CA . 27674 1 205 . 1 1 65 65 GLN CB C 13 29.632 0.015 . 1 . . 309 . . 65 GLN CB . 27674 1 206 . 1 1 65 65 GLN N N 15 122.237 0.01 . 1 . . 127 . . 65 GLN N . 27674 1 207 . 1 1 66 66 GLU H H 1 8.396 0.001 . 1 . . 92 . . 66 GLU H . 27674 1 208 . 1 1 66 66 GLU C C 13 176.524 0.009 . 1 . . 238 . . 66 GLU C . 27674 1 209 . 1 1 66 66 GLU CA C 13 57.041 0.038 . 1 . . 236 . . 66 GLU CA . 27674 1 210 . 1 1 66 66 GLU CB C 13 30.387 0.025 . 1 . . 237 . . 66 GLU CB . 27674 1 211 . 1 1 66 66 GLU N N 15 121.592 0.016 . 1 . . 91 . . 66 GLU N . 27674 1 212 . 1 1 67 67 THR H H 1 8.086 0.001 . 1 . . 14 . . 67 THR H . 27674 1 213 . 1 1 67 67 THR C C 13 174.035 0.001 . 1 . . 235 . . 67 THR C . 27674 1 214 . 1 1 67 67 THR CA C 13 62.035 0.025 . 1 . . 234 . . 67 THR CA . 27674 1 215 . 1 1 67 67 THR CB C 13 69.851 . . 1 . . 247 . . 67 THR CB . 27674 1 216 . 1 1 67 67 THR N N 15 115.355 0.01 . 1 . . 13 . . 67 THR N . 27674 1 217 . 1 1 68 68 LEU H H 1 8.145 0.001 . 1 . . 84 . . 68 LEU H . 27674 1 218 . 1 1 68 68 LEU C C 13 176.660 0.011 . 1 . . 233 . . 68 LEU C . 27674 1 219 . 1 1 68 68 LEU CA C 13 55.271 0.047 . 1 . . 231 . . 68 LEU CA . 27674 1 220 . 1 1 68 68 LEU CB C 13 42.655 0.037 . 1 . . 232 . . 68 LEU CB . 27674 1 221 . 1 1 68 68 LEU N N 15 125.414 0.006 . 1 . . 83 . . 68 LEU N . 27674 1 222 . 1 1 69 69 VAL H H 1 8.111 0.001 . 1 . . 70 . . 69 VAL H . 27674 1 223 . 1 1 69 69 VAL C C 13 175.795 0.002 . 1 . . 230 . . 69 VAL C . 27674 1 224 . 1 1 69 69 VAL CA C 13 62.427 0.043 . 1 . . 228 . . 69 VAL CA . 27674 1 225 . 1 1 69 69 VAL CB C 13 32.758 0.038 . 1 . . 229 . . 69 VAL CB . 27674 1 226 . 1 1 69 69 VAL N N 15 122.947 0.016 . 1 . . 69 . . 69 VAL N . 27674 1 227 . 1 1 70 70 VAL H H 1 8.184 0.001 . 1 . . 48 . . 70 VAL H . 27674 1 228 . 1 1 70 70 VAL C C 13 174.791 0.004 . 1 . . 227 . . 70 VAL C . 27674 1 229 . 1 1 70 70 VAL CA C 13 61.945 0.027 . 1 . . 224 . . 70 VAL CA . 27674 1 230 . 1 1 70 70 VAL CB C 13 33.098 0.053 . 1 . . 245 . . 70 VAL CB . 27674 1 231 . 1 1 70 70 VAL N N 15 124.309 0.005 . 1 . . 47 . . 70 VAL N . 27674 1 232 . 1 1 71 71 ASP H H 1 7.886 0.003 . 1 . . 78 . . 71 ASP H . 27674 1 233 . 1 1 71 71 ASP C C 13 180.577 . . 1 . . 226 . . 71 ASP C . 27674 1 234 . 1 1 71 71 ASP CA C 13 55.877 0.003 . 1 . . 141 . . 71 ASP CA . 27674 1 235 . 1 1 71 71 ASP CB C 13 42.419 . . 1 . . 225 . . 71 ASP CB . 27674 1 236 . 1 1 71 71 ASP N N 15 109.41 0.17 . 1 . . 77 . . 71 ASP N . 27674 1 stop_ save_