################################### # 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 27711 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _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' 1 $s1 isotropic 27711 1 2 '3D HNCA' 2 $s2 isotropic 27711 1 3 'HNcoCA (H[N[co[{CA|ca[C]}]]])' 2 $s2 isotropic 27711 1 4 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' 2 $s2 isotropic 27711 1 5 '3D HNCACB' 2 $s2 isotropic 27711 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 . . 27711 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 2 2 LYS CA C 13 56.534 0.009 . 1 . . 167 . . 2 LYS CA . 27711 1 2 . 1 1 2 2 LYS CB C 13 33.233 0.018 . 1 . . 168 . . 2 LYS CB . 27711 1 3 . 1 1 3 3 ASP H H 1 8.543 0.003 . 1 . . 68 . . 3 ASP H . 27711 1 4 . 1 1 3 3 ASP CA C 13 54.748 0.011 . 1 . . 166 . . 3 ASP CA . 27711 1 5 . 1 1 3 3 ASP CB C 13 40.975 0.003 . 1 . . 169 . . 3 ASP CB . 27711 1 6 . 1 1 3 3 ASP N N 15 122.042 0.023 . 1 . . 69 . . 3 ASP N . 27711 1 7 . 1 1 4 4 THR H H 1 8.033 0.003 . 1 . . 119 . . 4 THR H . 27711 1 8 . 1 1 4 4 THR CA C 13 61.953 0.013 . 1 . . 170 . . 4 THR CA . 27711 1 9 . 1 1 4 4 THR CB C 13 69.640 0.019 . 1 . . 171 . . 4 THR CB . 27711 1 10 . 1 1 4 4 THR N N 15 113.149 0.031 . 1 . . 120 . . 4 THR N . 27711 1 11 . 1 1 5 5 ASP H H 1 8.336 0.003 . 1 . . 1 . . 5 ASP H . 27711 1 12 . 1 1 5 5 ASP CA C 13 54.708 0.02 . 1 . . 172 . . 5 ASP CA . 27711 1 13 . 1 1 5 5 ASP CB C 13 41.246 0.01 . 1 . . 173 . . 5 ASP CB . 27711 1 14 . 1 1 5 5 ASP N N 15 122.797 0.024 . 1 . . 2 . . 5 ASP N . 27711 1 15 . 1 1 6 6 SER H H 1 8.357 0.003 . 1 . . 62 . . 6 SER H . 27711 1 16 . 1 1 6 6 SER CA C 13 58.938 0.008 . 1 . . 174 . . 6 SER CA . 27711 1 17 . 1 1 6 6 SER CB C 13 63.821 0.004 . 1 . . 175 . . 6 SER CB . 27711 1 18 . 1 1 6 6 SER N N 15 116.578 0.015 . 1 . . 63 . . 6 SER N . 27711 1 19 . 1 1 7 7 GLU H H 1 8.517 0.004 . 1 . . 98 . . 7 GLU H . 27711 1 20 . 1 1 7 7 GLU CA C 13 58.799 0.027 . 1 . . 176 . . 7 GLU CA . 27711 1 21 . 1 1 7 7 GLU CB C 13 29.553 0.006 . 1 . . 177 . . 7 GLU CB . 27711 1 22 . 1 1 7 7 GLU N N 15 122.812 0.026 . 1 . . 99 . . 7 GLU N . 27711 1 23 . 1 1 8 8 GLU H H 1 8.351 0.004 . 1 . . 9 . . 8 GLU H . 27711 1 24 . 1 1 8 8 GLU CA C 13 59.655 0.015 . 1 . . 181 . . 8 GLU CA . 27711 1 25 . 1 1 8 8 GLU CB C 13 29.261 0.012 . 1 . . 182 . . 8 GLU CB . 27711 1 26 . 1 1 8 8 GLU N N 15 119.513 0.03 . 1 . . 10 . . 8 GLU N . 27711 1 27 . 1 1 9 9 GLU H H 1 8.134 0.002 . 1 . . 84 . . 9 GLU H . 27711 1 28 . 1 1 9 9 GLU CA C 13 59.468 0.031 . 1 . . 183 . . 9 GLU CA . 27711 1 29 . 1 1 9 9 GLU CB C 13 29.565 0.026 . 1 . . 184 . . 9 GLU CB . 27711 1 30 . 1 1 9 9 GLU N N 15 118.741 0.027 . 1 . . 85 . . 9 GLU N . 27711 1 31 . 1 1 10 10 ILE H H 1 7.995 0.003 . 1 . . 121 . . 10 ILE H . 27711 1 32 . 1 1 10 10 ILE CA C 13 65.281 0.007 . 1 . . 185 . . 10 ILE CA . 27711 1 33 . 1 1 10 10 ILE CB C 13 37.417 0.004 . 1 . . 186 . . 10 ILE CB . 27711 1 34 . 1 1 10 10 ILE N N 15 121.947 0.018 . 1 . . 122 . . 10 ILE N . 27711 1 35 . 1 1 11 11 ARG H H 1 8.465 0.003 . 1 . . 32 . . 11 ARG H . 27711 1 36 . 1 1 11 11 ARG CA C 13 60.085 0.015 . 1 . . 187 . . 11 ARG CA . 27711 1 37 . 1 1 11 11 ARG CB C 13 29.829 0.018 . 1 . . 188 . . 11 ARG CB . 27711 1 38 . 1 1 11 11 ARG N N 15 121.533 0.022 . 1 . . 33 . . 11 ARG N . 27711 1 39 . 1 1 12 12 GLU H H 1 8.152 0.003 . 1 . . 157 . . 12 GLU H . 27711 1 40 . 1 1 12 12 GLU CA C 13 59.033 0.014 . 1 . . 189 . . 12 GLU CA . 27711 1 41 . 1 1 12 12 GLU CB C 13 29.193 0.022 . 1 . . 190 . . 12 GLU CB . 27711 1 42 . 1 1 12 12 GLU N N 15 118.395 0.019 . 1 . . 158 . . 12 GLU N . 27711 1 43 . 1 1 13 13 ALA H H 1 7.962 0.002 . 1 . . 76 . . 13 ALA H . 27711 1 44 . 1 1 13 13 ALA CA C 13 55.195 0.012 . 1 . . 192 . . 13 ALA CA . 27711 1 45 . 1 1 13 13 ALA CB C 13 17.926 0.009 . 1 . . 191 . . 13 ALA CB . 27711 1 46 . 1 1 13 13 ALA N N 15 121.862 0.021 . 1 . . 77 . . 13 ALA N . 27711 1 47 . 1 1 14 14 PHE H H 1 8.539 0.003 . 1 . . 144 . . 14 PHE H . 27711 1 48 . 1 1 14 14 PHE CA C 13 62.293 0.013 . 1 . . 193 . . 14 PHE CA . 27711 1 49 . 1 1 14 14 PHE CB C 13 39.117 0.01 . 1 . . 194 . . 14 PHE CB . 27711 1 50 . 1 1 14 14 PHE N N 15 118.706 0.012 . 1 . . 145 . . 14 PHE N . 27711 1 51 . 1 1 15 15 ARG H H 1 7.758 0.003 . 1 . . 48 . . 15 ARG H . 27711 1 52 . 1 1 15 15 ARG CA C 13 58.776 0.016 . 1 . . 195 . . 15 ARG CA . 27711 1 53 . 1 1 15 15 ARG CB C 13 30.269 0.01 . 1 . . 196 . . 15 ARG CB . 27711 1 54 . 1 1 15 15 ARG N N 15 115.811 0.014 . 1 . . 49 . . 15 ARG N . 27711 1 55 . 1 1 16 16 VAL H H 1 7.444 0.003 . 1 . . 132 . . 16 VAL H . 27711 1 56 . 1 1 16 16 VAL CA C 13 65.824 0.009 . 1 . . 198 . . 16 VAL CA . 27711 1 57 . 1 1 16 16 VAL CB C 13 31.264 0.009 . 1 . . 197 . . 16 VAL CB . 27711 1 58 . 1 1 16 16 VAL N N 15 118.887 0.008 . 1 . . 133 . . 16 VAL N . 27711 1 59 . 1 1 17 17 PHE H H 1 7.050 0.003 . 1 . . 136 . . 17 PHE H . 27711 1 60 . 1 1 17 17 PHE CA C 13 60.501 0.009 . 1 . . 200 . . 17 PHE CA . 27711 1 61 . 1 1 17 17 PHE CB C 13 41.180 0.026 . 1 . . 199 . . 17 PHE CB . 27711 1 62 . 1 1 17 17 PHE N N 15 115.019 0.017 . 1 . . 137 . . 17 PHE N . 27711 1 63 . 1 1 18 18 ASP H H 1 7.896 0.003 . 1 . . 106 . . 18 ASP H . 27711 1 64 . 1 1 18 18 ASP CA C 13 52.389 0.005 . 1 . . 201 . . 18 ASP CA . 27711 1 65 . 1 1 18 18 ASP CB C 13 38.439 0.023 . 1 . . 202 . . 18 ASP CB . 27711 1 66 . 1 1 18 18 ASP N N 15 116.357 0.01 . 1 . . 107 . . 18 ASP N . 27711 1 67 . 1 1 19 19 LYS H H 1 7.892 0.003 . 1 . . 90 . . 19 LYS H . 27711 1 68 . 1 1 19 19 LYS CA C 13 58.822 0.012 . 1 . . 203 . . 19 LYS CA . 27711 1 69 . 1 1 19 19 LYS CB C 13 32.557 0.007 . 1 . . 204 . . 19 LYS CB . 27711 1 70 . 1 1 19 19 LYS N N 15 126.122 0.03 . 1 . . 91 . . 19 LYS N . 27711 1 71 . 1 1 20 20 ASP H H 1 8.191 0.003 . 1 . . 42 . . 20 ASP H . 27711 1 72 . 1 1 20 20 ASP CA C 13 53.002 0.019 . 1 . . 206 . . 20 ASP CA . 27711 1 73 . 1 1 20 20 ASP CB C 13 39.525 0.028 . 1 . . 205 . . 20 ASP CB . 27711 1 74 . 1 1 20 20 ASP N N 15 114.253 0.019 . 1 . . 43 . . 20 ASP N . 27711 1 75 . 1 1 21 21 GLY H H 1 7.763 0.003 . 1 . . 80 . . 21 GLY H . 27711 1 76 . 1 1 21 21 GLY CA C 13 47.091 0.011 . 1 . . 178 . . 21 GLY CA . 27711 1 77 . 1 1 21 21 GLY N N 15 109.172 0.029 . 1 . . 81 . . 21 GLY N . 27711 1 78 . 1 1 22 22 ASN H H 1 8.347 0.003 . 1 . . 102 . . 22 ASN H . 27711 1 79 . 1 1 22 22 ASN CA C 13 52.608 0.011 . 1 . . 180 . . 22 ASN CA . 27711 1 80 . 1 1 22 22 ASN CB C 13 38.143 0.025 . 1 . . 179 . . 22 ASN CB . 27711 1 81 . 1 1 22 22 ASN N N 15 119.604 0.017 . 1 . . 103 . . 22 ASN N . 27711 1 82 . 1 1 23 23 GLY H H 1 10.635 0.003 . 1 . . 56 . . 23 GLY H . 27711 1 83 . 1 1 23 23 GLY CA C 13 45.049 0.016 . 1 . . 207 . . 23 GLY CA . 27711 1 84 . 1 1 23 23 GLY N N 15 112.862 0.032 . 1 . . 57 . . 23 GLY N . 27711 1 85 . 1 1 24 24 TYR H H 1 7.656 0.003 . 1 . . 34 . . 24 TYR H . 27711 1 86 . 1 1 24 24 TYR CA C 13 56.121 0.005 . 1 . . 209 . . 24 TYR CA . 27711 1 87 . 1 1 24 24 TYR CB C 13 43.026 0.021 . 1 . . 208 . . 24 TYR CB . 27711 1 88 . 1 1 24 24 TYR N N 15 116.149 0.008 . 1 . . 35 . . 24 TYR N . 27711 1 89 . 1 1 25 25 ILE H H 1 10.150 0.002 . 1 . . 125 . . 25 ILE H . 27711 1 90 . 1 1 25 25 ILE CA C 13 61.039 0.018 . 1 . . 210 . . 25 ILE CA . 27711 1 91 . 1 1 25 25 ILE CB C 13 39.097 0.021 . 1 . . 211 . . 25 ILE CB . 27711 1 92 . 1 1 25 25 ILE N N 15 127.496 0.029 . 1 . . 126 . . 25 ILE N . 27711 1 93 . 1 1 26 26 SER H H 1 8.878 0.003 . 1 . . 24 . . 26 SER H . 27711 1 94 . 1 1 26 26 SER CA C 13 55.565 0.014 . 1 . . 212 . . 26 SER CA . 27711 1 95 . 1 1 26 26 SER CB C 13 66.911 0.02 . 1 . . 213 . . 26 SER CB . 27711 1 96 . 1 1 26 26 SER N N 15 123.301 0.028 . 1 . . 25 . . 26 SER N . 27711 1 97 . 1 1 27 27 ALA H H 1 9.194 0.003 . 1 . . 138 . . 27 ALA H . 27711 1 98 . 1 1 27 27 ALA CA C 13 55.884 0.018 . 1 . . 214 . . 27 ALA CA . 27711 1 99 . 1 1 27 27 ALA CB C 13 17.981 0.004 . 1 . . 215 . . 27 ALA CB . 27711 1 100 . 1 1 27 27 ALA N N 15 122.980 0.014 . 1 . . 139 . . 27 ALA N . 27711 1 101 . 1 1 28 28 ALA H H 1 8.216 0.003 . 1 . . 74 . . 28 ALA H . 27711 1 102 . 1 1 28 28 ALA CA C 13 55.144 0.016 . 1 . . 217 . . 28 ALA CA . 27711 1 103 . 1 1 28 28 ALA CB C 13 18.324 0.019 . 1 . . 216 . . 28 ALA CB . 27711 1 104 . 1 1 28 28 ALA N N 15 118.493 0.008 . 1 . . 75 . . 28 ALA N . 27711 1 105 . 1 1 29 29 GLU H H 1 7.872 0.003 . 1 . . 78 . . 29 GLU H . 27711 1 106 . 1 1 29 29 GLU CA C 13 59.501 0.01 . 1 . . 218 . . 29 GLU CA . 27711 1 107 . 1 1 29 29 GLU CB C 13 29.093 0.003 . 1 . . 219 . . 29 GLU CB . 27711 1 108 . 1 1 29 29 GLU N N 15 120.429 0.014 . 1 . . 79 . . 29 GLU N . 27711 1 109 . 1 1 30 30 LEU H H 1 8.479 0.003 . 1 . . 86 . . 30 LEU H . 27711 1 110 . 1 1 30 30 LEU CA C 13 58.679 0.012 . 1 . . 221 . . 30 LEU CA . 27711 1 111 . 1 1 30 30 LEU CB C 13 41.776 0.009 . 1 . . 220 . . 30 LEU CB . 27711 1 112 . 1 1 30 30 LEU N N 15 121.164 0.028 . 1 . . 87 . . 30 LEU N . 27711 1 113 . 1 1 31 31 ARG H H 1 8.690 0.003 . 1 . . 58 . . 31 ARG H . 27711 1 114 . 1 1 31 31 ARG CA C 13 59.941 0.018 . 1 . . 222 . . 31 ARG CA . 27711 1 115 . 1 1 31 31 ARG CB C 13 30.467 0.01 . 1 . . 223 . . 31 ARG CB . 27711 1 116 . 1 1 31 31 ARG N N 15 117.932 0.017 . 1 . . 59 . . 31 ARG N . 27711 1 117 . 1 1 32 32 HIS H H 1 8.030 0.003 . 1 . . 15 . . 32 HIS H . 27711 1 118 . 1 1 32 32 HIS CA C 13 59.810 0.02 . 1 . . 224 . . 32 HIS CA . 27711 1 119 . 1 1 32 32 HIS CB C 13 30.281 0.012 . 1 . . 225 . . 32 HIS CB . 27711 1 120 . 1 1 32 32 HIS N N 15 119.281 0.01 . 1 . . 16 . . 32 HIS N . 27711 1 121 . 1 1 33 33 VAL H H 1 8.087 0.003 . 1 . . 28 . . 33 VAL H . 27711 1 122 . 1 1 33 33 VAL CA C 13 66.650 0.007 . 1 . . 227 . . 33 VAL CA . 27711 1 123 . 1 1 33 33 VAL CB C 13 31.741 0.016 . 1 . . 226 . . 33 VAL CB . 27711 1 124 . 1 1 33 33 VAL N N 15 119.252 0.012 . 1 . . 29 . . 33 VAL N . 27711 1 125 . 1 1 34 34 MET H H 1 8.379 0.003 . 1 . . 13 . . 34 MET H . 27711 1 126 . 1 1 34 34 MET CA C 13 57.588 0.017 . 1 . . 228 . . 34 MET CA . 27711 1 127 . 1 1 34 34 MET CB C 13 31.185 0.006 . 1 . . 229 . . 34 MET CB . 27711 1 128 . 1 1 34 34 MET N N 15 116.189 0.02 . 1 . . 14 . . 34 MET N . 27711 1 129 . 1 1 35 35 THR H H 1 8.259 0.003 . 1 . . 161 . . 35 THR H . 27711 1 130 . 1 1 35 35 THR CA C 13 66.525 0.034 . 1 . . 231 . . 35 THR CA . 27711 1 131 . 1 1 35 35 THR CB C 13 68.618 0.015 . 1 . . 230 . . 35 THR CB . 27711 1 132 . 1 1 35 35 THR N N 15 115.752 0.013 . 1 . . 162 . . 35 THR N . 27711 1 133 . 1 1 36 36 ASN H H 1 7.798 0.002 . 1 . . 104 . . 36 ASN H . 27711 1 134 . 1 1 36 36 ASN CA C 13 55.940 0.014 . 1 . . 232 . . 36 ASN CA . 27711 1 135 . 1 1 36 36 ASN CB C 13 38.179 0.009 . 1 . . 233 . . 36 ASN CB . 27711 1 136 . 1 1 36 36 ASN N N 15 122.779 0.041 . 1 . . 105 . . 36 ASN N . 27711 1 137 . 1 1 37 37 LEU H H 1 7.842 0.003 . 1 . . 96 . . 37 LEU H . 27711 1 138 . 1 1 37 37 LEU CA C 13 55.331 0.007 . 1 . . 235 . . 37 LEU CA . 27711 1 139 . 1 1 37 37 LEU CB C 13 42.243 0.019 . 1 . . 234 . . 37 LEU CB . 27711 1 140 . 1 1 37 37 LEU N N 15 118.817 0.013 . 1 . . 97 . . 37 LEU N . 27711 1 141 . 1 1 38 38 GLY H H 1 7.807 0.004 . 1 . . 117 . . 38 GLY H . 27711 1 142 . 1 1 38 38 GLY CA C 13 45.331 0.011 . 1 . . 236 . . 38 GLY CA . 27711 1 143 . 1 1 38 38 GLY N N 15 106.999 0.036 . 1 . . 118 . . 38 GLY N . 27711 1 144 . 1 1 39 39 GLU H H 1 7.901 0.003 . 1 . . 66 . . 39 GLU H . 27711 1 145 . 1 1 39 39 GLU CA C 13 55.191 0.006 . 1 . . 238 . . 39 GLU CA . 27711 1 146 . 1 1 39 39 GLU CB C 13 30.292 0.019 . 1 . . 237 . . 39 GLU CB . 27711 1 147 . 1 1 39 39 GLU N N 15 120.313 0.016 . 1 . . 67 . . 39 GLU N . 27711 1 148 . 1 1 40 40 LYS H H 1 8.629 0.003 . 1 . . 108 . . 40 LYS H . 27711 1 149 . 1 1 40 40 LYS CA C 13 55.490 0.01 . 1 . . 240 . . 40 LYS CA . 27711 1 150 . 1 1 40 40 LYS CB C 13 31.818 0.021 . 1 . . 239 . . 40 LYS CB . 27711 1 151 . 1 1 40 40 LYS N N 15 125.010 0.035 . 1 . . 109 . . 40 LYS N . 27711 1 152 . 1 1 41 41 LEU H H 1 8.019 0.003 . 1 . . 128 . . 41 LEU H . 27711 1 153 . 1 1 41 41 LEU CA C 13 53.827 0.009 . 1 . . 241 . . 41 LEU CA . 27711 1 154 . 1 1 41 41 LEU CB C 13 45.096 0.006 . 1 . . 242 . . 41 LEU CB . 27711 1 155 . 1 1 41 41 LEU N N 15 124.761 0.03 . 1 . . 129 . . 41 LEU N . 27711 1 156 . 1 1 42 42 THR H H 1 9.226 0.004 . 1 . . 148 . . 42 THR H . 27711 1 157 . 1 1 42 42 THR CA C 13 60.623 0.008 . 1 . . 244 . . 42 THR CA . 27711 1 158 . 1 1 42 42 THR CB C 13 71.213 0.019 . 1 . . 243 . . 42 THR CB . 27711 1 159 . 1 1 42 42 THR N N 15 114.801 0.012 . 1 . . 149 . . 42 THR N . 27711 1 160 . 1 1 43 43 ASP H H 1 8.882 0.003 . 1 . . 100 . . 43 ASP H . 27711 1 161 . 1 1 43 43 ASP CA C 13 57.975 0.01 . 1 . . 245 . . 43 ASP CA . 27711 1 162 . 1 1 43 43 ASP CB C 13 39.580 . . 1 . . 246 . . 43 ASP CB . 27711 1 163 . 1 1 43 43 ASP N N 15 121.073 0.015 . 1 . . 101 . . 43 ASP N . 27711 1 164 . 1 1 44 44 GLU H H 1 8.646 0.003 . 1 . . 113 . . 44 GLU H . 27711 1 165 . 1 1 44 44 GLU CA C 13 59.942 0.02 . 1 . . 247 . . 44 GLU CA . 27711 1 166 . 1 1 44 44 GLU CB C 13 29.015 0.005 . 1 . . 248 . . 44 GLU CB . 27711 1 167 . 1 1 44 44 GLU N N 15 119.137 0.015 . 1 . . 114 . . 44 GLU N . 27711 1 168 . 1 1 45 45 GLU H H 1 7.730 0.003 . 1 . . 52 . . 45 GLU H . 27711 1 169 . 1 1 45 45 GLU CA C 13 59.301 0.016 . 1 . . 249 . . 45 GLU CA . 27711 1 170 . 1 1 45 45 GLU CB C 13 30.434 0.028 . 1 . . 250 . . 45 GLU CB . 27711 1 171 . 1 1 45 45 GLU N N 15 120.648 0.017 . 1 . . 53 . . 45 GLU N . 27711 1 172 . 1 1 46 46 VAL H H 1 7.997 0.003 . 1 . . 154 . . 46 VAL H . 27711 1 173 . 1 1 46 46 VAL CA C 13 66.884 0.008 . 1 . . 252 . . 46 VAL CA . 27711 1 174 . 1 1 46 46 VAL CB C 13 31.391 0.017 . 1 . . 251 . . 46 VAL CB . 27711 1 175 . 1 1 46 46 VAL N N 15 120.776 0.016 . 1 . . 155 . . 46 VAL N . 27711 1 176 . 1 1 47 47 ASP H H 1 7.990 0.003 . 1 . . 159 . . 47 ASP H . 27711 1 177 . 1 1 47 47 ASP CA C 13 57.584 0.021 . 1 . . 253 . . 47 ASP CA . 27711 1 178 . 1 1 47 47 ASP CB C 13 40.460 0.006 . 1 . . 254 . . 47 ASP CB . 27711 1 179 . 1 1 47 47 ASP N N 15 119.253 0.021 . 1 . . 160 . . 47 ASP N . 27711 1 180 . 1 1 48 48 GLU H H 1 7.996 0.003 . 1 . . 36 . . 48 GLU H . 27711 1 181 . 1 1 48 48 GLU CA C 13 59.115 0.013 . 1 . . 256 . . 48 GLU CA . 27711 1 182 . 1 1 48 48 GLU CB C 13 29.258 0.008 . 1 . . 255 . . 48 GLU CB . 27711 1 183 . 1 1 48 48 GLU N N 15 119.552 0.011 . 1 . . 37 . . 48 GLU N . 27711 1 184 . 1 1 49 49 MET H H 1 7.794 0.003 . 1 . . 130 . . 49 MET H . 27711 1 185 . 1 1 49 49 MET CA C 13 59.729 0.012 . 1 . . 257 . . 49 MET CA . 27711 1 186 . 1 1 49 49 MET CB C 13 33.718 0.016 . 1 . . 258 . . 49 MET CB . 27711 1 187 . 1 1 49 49 MET N N 15 119.773 0.015 . 1 . . 131 . . 49 MET N . 27711 1 188 . 1 1 50 50 ILE H H 1 7.804 0.003 . 1 . . 38 . . 50 ILE H . 27711 1 189 . 1 1 50 50 ILE CA C 13 63.042 0.012 . 1 . . 260 . . 50 ILE CA . 27711 1 190 . 1 1 50 50 ILE CB C 13 35.974 0.004 . 1 . . 259 . . 50 ILE CB . 27711 1 191 . 1 1 50 50 ILE N N 15 117.877 0.02 . 1 . . 39 . . 50 ILE N . 27711 1 192 . 1 1 51 51 ARG H H 1 8.248 0.003 . 1 . . 54 . . 51 ARG H . 27711 1 193 . 1 1 51 51 ARG CA C 13 59.707 0.01 . 1 . . 261 . . 51 ARG CA . 27711 1 194 . 1 1 51 51 ARG CB C 13 30.238 0.01 . 1 . . 262 . . 51 ARG CB . 27711 1 195 . 1 1 51 51 ARG N N 15 118.206 0.025 . 1 . . 55 . . 51 ARG N . 27711 1 196 . 1 1 52 52 GLU H H 1 7.983 0.003 . 1 . . 140 . . 52 GLU H . 27711 1 197 . 1 1 52 52 GLU CA C 13 58.623 0.015 . 1 . . 264 . . 52 GLU CA . 27711 1 198 . 1 1 52 52 GLU CB C 13 29.461 0.017 . 1 . . 263 . . 52 GLU CB . 27711 1 199 . 1 1 52 52 GLU N N 15 116.397 0.011 . 1 . . 141 . . 52 GLU N . 27711 1 200 . 1 1 53 53 ALA H H 1 7.285 0.003 . 1 . . 146 . . 53 ALA H . 27711 1 201 . 1 1 53 53 ALA CA C 13 51.870 0.012 . 1 . . 265 . . 53 ALA CA . 27711 1 202 . 1 1 53 53 ALA CB C 13 21.382 0.01 . 1 . . 266 . . 53 ALA CB . 27711 1 203 . 1 1 53 53 ALA N N 15 118.559 0.006 . 1 . . 147 . . 53 ALA N . 27711 1 204 . 1 1 54 54 ASP H H 1 7.999 0.003 . 1 . . 46 . . 54 ASP H . 27711 1 205 . 1 1 54 54 ASP CA C 13 54.093 0.013 . 1 . . 268 . . 54 ASP CA . 27711 1 206 . 1 1 54 54 ASP CB C 13 40.554 0.013 . 1 . . 267 . . 54 ASP CB . 27711 1 207 . 1 1 54 54 ASP N N 15 118.111 0.015 . 1 . . 47 . . 54 ASP N . 27711 1 208 . 1 1 55 55 ILE H H 1 8.170 0.003 . 1 . . 82 . . 55 ILE H . 27711 1 209 . 1 1 55 55 ILE CA C 13 63.528 0.007 . 1 . . 269 . . 55 ILE CA . 27711 1 210 . 1 1 55 55 ILE CB C 13 38.545 0.011 . 1 . . 270 . . 55 ILE CB . 27711 1 211 . 1 1 55 55 ILE N N 15 127.661 0.023 . 1 . . 83 . . 55 ILE N . 27711 1 212 . 1 1 56 56 ASP H H 1 8.413 0.003 . 1 . . 164 . . 56 ASP H . 27711 1 213 . 1 1 56 56 ASP CA C 13 53.975 0.018 . 1 . . 272 . . 56 ASP CA . 27711 1 214 . 1 1 56 56 ASP CB C 13 39.903 0.007 . 1 . . 271 . . 56 ASP CB . 27711 1 215 . 1 1 56 56 ASP N N 15 116.701 0.016 . 1 . . 165 . . 56 ASP N . 27711 1 216 . 1 1 57 57 GLY H H 1 7.661 0.004 . 1 . . 72 . . 57 GLY H . 27711 1 217 . 1 1 57 57 GLY CA C 13 47.457 0.008 . 1 . . 273 . . 57 GLY CA . 27711 1 218 . 1 1 57 57 GLY N N 15 108.809 0.039 . 1 . . 73 . . 57 GLY N . 27711 1 219 . 1 1 58 58 ASP H H 1 8.390 0.003 . 1 . . 5 . . 58 ASP H . 27711 1 220 . 1 1 58 58 ASP CA C 13 53.719 0.014 . 1 . . 275 . . 58 ASP CA . 27711 1 221 . 1 1 58 58 ASP CB C 13 40.022 0.02 . 1 . . 274 . . 58 ASP CB . 27711 1 222 . 1 1 58 58 ASP N N 15 120.987 0.022 . 1 . . 6 . . 58 ASP N . 27711 1 223 . 1 1 59 59 GLY H H 1 10.289 0.003 . 1 . . 150 . . 59 GLY H . 27711 1 224 . 1 1 59 59 GLY CA C 13 45.700 0.012 . 1 . . 276 . . 59 GLY CA . 27711 1 225 . 1 1 59 59 GLY N N 15 112.873 0.028 . 1 . . 151 . . 59 GLY N . 27711 1 226 . 1 1 60 60 GLN H H 1 7.944 0.003 . 1 . . 123 . . 60 GLN H . 27711 1 227 . 1 1 60 60 GLN CA C 13 53.205 0.007 . 1 . . 277 . . 60 GLN CA . 27711 1 228 . 1 1 60 60 GLN CB C 13 32.322 0.015 . 1 . . 278 . . 60 GLN CB . 27711 1 229 . 1 1 60 60 GLN N N 15 115.236 0.011 . 1 . . 124 . . 60 GLN N . 27711 1 230 . 1 1 61 61 VAL H H 1 9.087 0.004 . 1 . . 60 . . 61 VAL H . 27711 1 231 . 1 1 61 61 VAL CA C 13 61.723 0.01 . 1 . . 280 . . 61 VAL CA . 27711 1 232 . 1 1 61 61 VAL CB C 13 33.948 0.017 . 1 . . 279 . . 61 VAL CB . 27711 1 233 . 1 1 61 61 VAL N N 15 125.763 0.034 . 1 . . 61 . . 61 VAL N . 27711 1 234 . 1 1 62 62 ASN H H 1 9.508 0.002 . 1 . . 70 . . 62 ASN H . 27711 1 235 . 1 1 62 62 ASN CA C 13 50.984 0.018 . 1 . . 281 . . 62 ASN CA . 27711 1 236 . 1 1 62 62 ASN CB C 13 38.492 0.007 . 1 . . 282 . . 62 ASN CB . 27711 1 237 . 1 1 62 62 ASN N N 15 129.053 0.031 . 1 . . 71 . . 62 ASN N . 27711 1 238 . 1 1 63 63 TYR H H 1 8.405 0.003 . 1 . . 134 . . 63 TYR H . 27711 1 239 . 1 1 63 63 TYR CA C 13 62.583 0.009 . 1 . . 284 . . 63 TYR CA . 27711 1 240 . 1 1 63 63 TYR CB C 13 37.690 0.002 . 1 . . 283 . . 63 TYR CB . 27711 1 241 . 1 1 63 63 TYR N N 15 118.667 0.01 . 1 . . 135 . . 63 TYR N . 27711 1 242 . 1 1 64 64 GLU H H 1 8.085 0.003 . 1 . . 111 . . 64 GLU H . 27711 1 243 . 1 1 64 64 GLU CA C 13 60.288 0.025 . 1 . . 285 . . 64 GLU CA . 27711 1 244 . 1 1 64 64 GLU CB C 13 28.836 0.041 . 1 . . 286 . . 64 GLU CB . 27711 1 245 . 1 1 64 64 GLU N N 15 118.358 0.011 . 1 . . 112 . . 64 GLU N . 27711 1 246 . 1 1 65 65 GLU H H 1 8.724 0.003 . 1 . . 19 . . 65 GLU H . 27711 1 247 . 1 1 65 65 GLU CA C 13 58.683 0.018 . 1 . . 288 . . 65 GLU CA . 27711 1 248 . 1 1 65 65 GLU CB C 13 29.689 0.015 . 1 . . 287 . . 65 GLU CB . 27711 1 249 . 1 1 65 65 GLU N N 15 119.981 0.024 . 1 . . 20 . . 65 GLU N . 27711 1 250 . 1 1 66 66 PHE H H 1 8.771 0.003 . 1 . . 30 . . 66 PHE H . 27711 1 251 . 1 1 66 66 PHE CA C 13 62.115 0.008 . 1 . . 289 . . 66 PHE CA . 27711 1 252 . 1 1 66 66 PHE CB C 13 40.134 0.013 . 1 . . 290 . . 66 PHE CB . 27711 1 253 . 1 1 66 66 PHE N N 15 124.599 0.027 . 1 . . 31 . . 66 PHE N . 27711 1 254 . 1 1 67 67 VAL H H 1 8.680 0.003 . 1 . . 3 . . 67 VAL H . 27711 1 255 . 1 1 67 67 VAL CA C 13 66.960 0.009 . 1 . . 292 . . 67 VAL CA . 27711 1 256 . 1 1 67 67 VAL CB C 13 31.522 0.01 . 1 . . 291 . . 67 VAL CB . 27711 1 257 . 1 1 67 67 VAL N N 15 119.148 0.02 . 1 . . 4 . . 67 VAL N . 27711 1 258 . 1 1 68 68 GLN H H 1 7.625 0.003 . 1 . . 142 . . 68 GLN H . 27711 1 259 . 1 1 68 68 GLN CA C 13 58.891 0.015 . 1 . . 293 . . 68 GLN CA . 27711 1 260 . 1 1 68 68 GLN CB C 13 28.047 0.028 . 1 . . 294 . . 68 GLN CB . 27711 1 261 . 1 1 68 68 GLN N N 15 118.854 0.043 . 1 . . 143 . . 68 GLN N . 27711 1 262 . 1 1 69 69 MET H H 1 7.560 0.003 . 1 . . 64 . . 69 MET H . 27711 1 263 . 1 1 69 69 MET CA C 13 57.606 0.002 . 1 . . 296 . . 69 MET CA . 27711 1 264 . 1 1 69 69 MET CB C 13 31.087 0.007 . 1 . . 295 . . 69 MET CB . 27711 1 265 . 1 1 69 69 MET N N 15 118.413 0.009 . 1 . . 65 . . 69 MET N . 27711 1 266 . 1 1 70 70 MET H H 1 7.788 0.003 . 1 . . 92 . . 70 MET H . 27711 1 267 . 1 1 70 70 MET CA C 13 56.017 0.006 . 1 . . 297 . . 70 MET CA . 27711 1 268 . 1 1 70 70 MET CB C 13 32.450 0.006 . 1 . . 298 . . 70 MET CB . 27711 1 269 . 1 1 70 70 MET N N 15 116.055 0.026 . 1 . . 93 . . 70 MET N . 27711 1 270 . 1 1 71 71 THR H H 1 7.594 0.003 . 1 . . 40 . . 71 THR H . 27711 1 271 . 1 1 71 71 THR CA C 13 62.232 0.014 . 1 . . 299 . . 71 THR CA . 27711 1 272 . 1 1 71 71 THR CB C 13 70.138 0.019 . 1 . . 300 . . 71 THR CB . 27711 1 273 . 1 1 71 71 THR N N 15 110.148 0.036 . 1 . . 41 . . 71 THR N . 27711 1 274 . 1 1 72 72 ALA H H 1 7.617 0.003 . 1 . . 152 . . 72 ALA H . 27711 1 275 . 1 1 72 72 ALA CA C 13 52.970 0.011 . 1 . . 301 . . 72 ALA CA . 27711 1 276 . 1 1 72 72 ALA CB C 13 19.031 0.004 . 1 . . 302 . . 72 ALA CB . 27711 1 277 . 1 1 72 72 ALA N N 15 126.693 0.024 . 1 . . 153 . . 72 ALA N . 27711 1 278 . 1 1 73 73 LYS H H 1 7.764 0.003 . 1 . . 94 . . 73 LYS H . 27711 1 279 . 1 1 73 73 LYS CA C 13 57.378 0.01 . 1 . . 304 . . 73 LYS CA . 27711 1 280 . 1 1 73 73 LYS CB C 13 33.686 . . 1 . . 303 . . 73 LYS CB . 27711 1 281 . 1 1 73 73 LYS N N 15 125.638 0.031 . 1 . . 95 . . 73 LYS N . 27711 1 stop_ save_