################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27628 _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' . . . 27628 1 2 '3D HNCACB' . . . 27628 1 3 '3D HN(COCA)CB' . . . 27628 1 4 '3D HNCO' . . . 27628 1 5 '3D HCACO' . . . 27628 1 6 '3D HNCA' . . . 27628 1 7 '3D HN(CO)CA' . . . 27628 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 GLU H H 1 8.567 0.020 . 1 . . . . . 181 GLU H . 27628 1 2 . 1 1 2 2 GLU C C 13 176.652 0.3 . 1 . . . . . 181 GLU C . 27628 1 3 . 1 1 2 2 GLU CA C 13 56.684 0.3 . 1 . . . . . 181 GLU CA . 27628 1 4 . 1 1 2 2 GLU CB C 13 30.153 0.3 . 1 . . . . . 181 GLU CB . 27628 1 5 . 1 1 2 2 GLU N N 15 120.601 0.3 . 1 . . . . . 181 GLU N . 27628 1 6 . 1 1 3 3 PHE H H 1 8.429 0.020 . 1 . . . . . 182 PHE H . 27628 1 7 . 1 1 3 3 PHE C C 13 175.993 0.3 . 1 . . . . . 182 PHE C . 27628 1 8 . 1 1 3 3 PHE CA C 13 57.427 0.3 . 1 . . . . . 182 PHE CA . 27628 1 9 . 1 1 3 3 PHE CB C 13 39.743 0.3 . 1 . . . . . 182 PHE CB . 27628 1 10 . 1 1 3 3 PHE N N 15 120.639 0.3 . 1 . . . . . 182 PHE N . 27628 1 11 . 1 1 4 4 GLY H H 1 8.287 0.020 . 1 . . . . . 183 GLY H . 27628 1 12 . 1 1 4 4 GLY C C 13 172.858 0.3 . 1 . . . . . 183 GLY C . 27628 1 13 . 1 1 4 4 GLY CA C 13 45.805 0.3 . 1 . . . . . 183 GLY CA . 27628 1 14 . 1 1 4 4 GLY N N 15 111.287 0.3 . 1 . . . . . 183 GLY N . 27628 1 15 . 1 1 6 6 TYR H H 1 8.221 0.020 . 1 . . . . . 185 TYR H . 27628 1 16 . 1 1 6 6 TYR C C 13 175.350 0.3 . 1 . . . . . 185 TYR C . 27628 1 17 . 1 1 6 6 TYR CA C 13 57.577 0.3 . 1 . . . . . 185 TYR CA . 27628 1 18 . 1 1 6 6 TYR CB C 13 38.293 0.3 . 1 . . . . . 185 TYR CB . 27628 1 19 . 1 1 6 6 TYR N N 15 119.896 0.3 . 1 . . . . . 185 TYR N . 27628 1 20 . 1 1 7 7 THR H H 1 7.990 0.020 . 1 . . . . . 186 THR H . 27628 1 21 . 1 1 7 7 THR CA C 13 65.547 0.3 . 1 . . . . . 186 THR CA . 27628 1 22 . 1 1 7 7 THR N N 15 116.282 0.3 . 1 . . . . . 186 THR N . 27628 1 23 . 1 1 8 8 PHE H H 1 8.110 0.020 . 1 . . . . . 187 PHE H . 27628 1 24 . 1 1 8 8 PHE CA C 13 60.968 0.3 . 1 . . . . . 187 PHE CA . 27628 1 25 . 1 1 8 8 PHE N N 15 122.554 0.3 . 1 . . . . . 187 PHE N . 27628 1 26 . 1 1 9 9 VAL H H 1 7.804 0.020 . 1 . . . . . 188 VAL H . 27628 1 27 . 1 1 9 9 VAL CA C 13 62.936 0.3 . 1 . . . . . 188 VAL CA . 27628 1 28 . 1 1 9 9 VAL N N 15 118.308 0.3 . 1 . . . . . 188 VAL N . 27628 1 29 . 1 1 10 10 GLN H H 1 8.522 0.020 . 1 . . . . . 189 GLN H . 27628 1 30 . 1 1 10 10 GLN C C 13 176.473 0.3 . 1 . . . . . 189 GLN C . 27628 1 31 . 1 1 10 10 GLN CA C 13 56.403 0.3 . 1 . . . . . 189 GLN CA . 27628 1 32 . 1 1 10 10 GLN CB C 13 29.985 0.3 . 1 . . . . . 189 GLN CB . 27628 1 33 . 1 1 10 10 GLN N N 15 120.512 0.3 . 1 . . . . . 189 GLN N . 27628 1 34 . 1 1 11 11 GLN H H 1 8.241 0.020 . 1 . . . . . 190 GLN H . 27628 1 35 . 1 1 11 11 GLN CA C 13 55.091 0.3 . 1 . . . . . 190 GLN CA . 27628 1 36 . 1 1 11 11 GLN N N 15 123.045 0.3 . 1 . . . . . 190 GLN N . 27628 1 37 . 1 1 12 12 HIS H H 1 7.569 0.020 . 1 . . . . . 191 HIS H . 27628 1 38 . 1 1 12 12 HIS CA C 13 57.996 0.3 . 1 . . . . . 191 HIS CA . 27628 1 39 . 1 1 12 12 HIS N N 15 117.284 0.3 . 1 . . . . . 191 HIS N . 27628 1 40 . 1 1 13 13 LEU H H 1 8.044 0.020 . 1 . . . . . 192 LEU H . 27628 1 41 . 1 1 13 13 LEU CA C 13 54.993 0.3 . 1 . . . . . 192 LEU CA . 27628 1 42 . 1 1 13 13 LEU CB C 13 42.334 0.3 . 1 . . . . . 192 LEU CB . 27628 1 43 . 1 1 13 13 LEU N N 15 121.539 0.3 . 1 . . . . . 192 LEU N . 27628 1 44 . 1 1 14 14 MET H H 1 7.983 0.020 . 1 . . . . . 193 MET H . 27628 1 45 . 1 1 14 14 MET CA C 13 58.568 0.3 . 1 . . . . . 193 MET CA . 27628 1 46 . 1 1 14 14 MET N N 15 117.224 0.3 . 1 . . . . . 193 MET N . 27628 1 47 . 1 1 15 15 ILE H H 1 8.303 0.020 . 1 . . . . . 194 ILE H . 27628 1 48 . 1 1 15 15 ILE C C 13 175.821 0.3 . 1 . . . . . 194 ILE C . 27628 1 49 . 1 1 15 15 ILE CA C 13 57.435 0.3 . 1 . . . . . 194 ILE CA . 27628 1 50 . 1 1 15 15 ILE CB C 13 39.584 0.3 . 1 . . . . . 194 ILE CB . 27628 1 51 . 1 1 15 15 ILE N N 15 119.890 0.3 . 1 . . . . . 194 ILE N . 27628 1 52 . 1 1 16 16 GLY H H 1 7.880 0.020 . 1 . . . . . 195 GLY H . 27628 1 53 . 1 1 16 16 GLY CA C 13 45.855 0.3 . 1 . . . . . 195 GLY CA . 27628 1 54 . 1 1 16 16 GLY N N 15 110.115 0.3 . 1 . . . . . 195 GLY N . 27628 1 55 . 1 1 17 17 THR H H 1 8.094 0.020 . 1 . . . . . 196 THR H . 27628 1 56 . 1 1 17 17 THR CA C 13 63.279 0.3 . 1 . . . . . 196 THR CA . 27628 1 57 . 1 1 17 17 THR N N 15 118.684 0.3 . 1 . . . . . 196 THR N . 27628 1 58 . 1 1 18 18 ASP H H 1 8.732 0.020 . 1 . . . . . 197 ASP H . 27628 1 59 . 1 1 18 18 ASP C C 13 178.863 0.3 . 1 . . . . . 197 ASP C . 27628 1 60 . 1 1 18 18 ASP CA C 13 50.920 0.3 . 1 . . . . . 197 ASP CA . 27628 1 61 . 1 1 18 18 ASP CB C 13 41.774 0.3 . 1 . . . . . 197 ASP CB . 27628 1 62 . 1 1 18 18 ASP N N 15 127.399 0.3 . 1 . . . . . 197 ASP N . 27628 1 63 . 1 1 20 20 ARG H H 1 8.672 0.020 . 1 . . . . . 199 ARG H . 27628 1 64 . 1 1 20 20 ARG C C 13 179.223 0.3 . 1 . . . . . 199 ARG C . 27628 1 65 . 1 1 20 20 ARG CA C 13 60.050 0.3 . 1 . . . . . 199 ARG CA . 27628 1 66 . 1 1 20 20 ARG CB C 13 28.862 0.3 . 1 . . . . . 199 ARG CB . 27628 1 67 . 1 1 20 20 ARG N N 15 118.135 0.3 . 1 . . . . . 199 ARG N . 27628 1 68 . 1 1 21 21 THR H H 1 7.711 0.020 . 1 . . . . . 200 THR H . 27628 1 69 . 1 1 21 21 THR C C 13 175.877 0.3 . 1 . . . . . 200 THR C . 27628 1 70 . 1 1 21 21 THR CA C 13 65.259 0.3 . 1 . . . . . 200 THR CA . 27628 1 71 . 1 1 21 21 THR CB C 13 68.437 0.3 . 1 . . . . . 200 THR CB . 27628 1 72 . 1 1 21 21 THR N N 15 114.142 0.3 . 1 . . . . . 200 THR N . 27628 1 73 . 1 1 22 22 ILE H H 1 6.548 0.020 . 1 . . . . . 201 ILE H . 27628 1 74 . 1 1 22 22 ILE CA C 13 61.941 0.3 . 1 . . . . . 201 ILE CA . 27628 1 75 . 1 1 22 22 ILE N N 15 121.736 0.3 . 1 . . . . . 201 ILE N . 27628 1 76 . 1 1 23 23 LEU H H 1 8.190 0.020 . 1 . . . . . 202 LEU H . 27628 1 77 . 1 1 23 23 LEU C C 13 177.921 0.3 . 1 . . . . . 202 LEU C . 27628 1 78 . 1 1 23 23 LEU CA C 13 58.019 0.3 . 1 . . . . . 202 LEU CA . 27628 1 79 . 1 1 23 23 LEU CB C 13 41.324 0.3 . 1 . . . . . 202 LEU CB . 27628 1 80 . 1 1 23 23 LEU N N 15 119.471 0.3 . 1 . . . . . 202 LEU N . 27628 1 81 . 1 1 24 24 LYS H H 1 7.411 0.020 . 1 . . . . . 203 LYS H . 27628 1 82 . 1 1 24 24 LYS C C 13 177.012 0.3 . 1 . . . . . 203 LYS C . 27628 1 83 . 1 1 24 24 LYS CA C 13 58.726 0.3 . 1 . . . . . 203 LYS CA . 27628 1 84 . 1 1 24 24 LYS CB C 13 31.667 0.3 . 1 . . . . . 203 LYS CB . 27628 1 85 . 1 1 24 24 LYS N N 15 118.790 0.3 . 1 . . . . . 203 LYS N . 27628 1 86 . 1 1 25 25 ASP H H 1 6.947 0.020 . 1 . . . . . 204 ASP H . 27628 1 87 . 1 1 25 25 ASP C C 13 177.606 0.3 . 1 . . . . . 204 ASP C . 27628 1 88 . 1 1 25 25 ASP CA C 13 55.818 0.3 . 1 . . . . . 204 ASP CA . 27628 1 89 . 1 1 25 25 ASP CB C 13 41.384 0.3 . 1 . . . . . 204 ASP CB . 27628 1 90 . 1 1 25 25 ASP N N 15 115.516 0.3 . 1 . . . . . 204 ASP N . 27628 1 91 . 1 1 26 26 LEU H H 1 7.686 0.020 . 1 . . . . . 205 LEU H . 27628 1 92 . 1 1 26 26 LEU C C 13 177.034 0.3 . 1 . . . . . 205 LEU C . 27628 1 93 . 1 1 26 26 LEU CA C 13 56.490 0.3 . 1 . . . . . 205 LEU CA . 27628 1 94 . 1 1 26 26 LEU CB C 13 43.794 0.3 . 1 . . . . . 205 LEU CB . 27628 1 95 . 1 1 26 26 LEU N N 15 117.434 0.3 . 1 . . . . . 205 LEU N . 27628 1 96 . 1 1 27 27 LEU H H 1 8.208 0.020 . 1 . . . . . 206 LEU H . 27628 1 97 . 1 1 27 27 LEU C C 13 173.745 0.3 . 1 . . . . . 206 LEU C . 27628 1 98 . 1 1 27 27 LEU CA C 13 51.989 0.3 . 1 . . . . . 206 LEU CA . 27628 1 99 . 1 1 27 27 LEU CB C 13 42.896 0.3 . 1 . . . . . 206 LEU CB . 27628 1 100 . 1 1 27 27 LEU N N 15 119.871 0.3 . 1 . . . . . 206 LEU N . 27628 1 101 . 1 1 29 29 GLU H H 1 8.688 0.020 . 1 . . . . . 208 GLU H . 27628 1 102 . 1 1 29 29 GLU C C 13 176.495 0.3 . 1 . . . . . 208 GLU C . 27628 1 103 . 1 1 29 29 GLU CA C 13 56.900 0.3 . 1 . . . . . 208 GLU CA . 27628 1 104 . 1 1 29 29 GLU CB C 13 29.367 0.3 . 1 . . . . . 208 GLU CB . 27628 1 105 . 1 1 29 29 GLU N N 15 115.909 0.3 . 1 . . . . . 208 GLU N . 27628 1 106 . 1 1 30 30 THR H H 1 7.536 0.020 . 1 . . . . . 209 THR H . 27628 1 107 . 1 1 30 30 THR C C 13 173.273 0.3 . 1 . . . . . 209 THR C . 27628 1 108 . 1 1 30 30 THR CA C 13 61.693 0.3 . 1 . . . . . 209 THR CA . 27628 1 109 . 1 1 30 30 THR CB C 13 70.177 0.3 . 1 . . . . . 209 THR CB . 27628 1 110 . 1 1 30 30 THR N N 15 114.502 0.3 . 1 . . . . . 209 THR N . 27628 1 111 . 1 1 31 31 ILE H H 1 8.508 0.020 . 1 . . . . . 210 ILE H . 27628 1 112 . 1 1 31 31 ILE C C 13 173.879 0.3 . 1 . . . . . 210 ILE C . 27628 1 113 . 1 1 31 31 ILE CA C 13 57.940 0.3 . 1 . . . . . 210 ILE CA . 27628 1 114 . 1 1 31 31 ILE CB C 13 38.687 0.3 . 1 . . . . . 210 ILE CB . 27628 1 115 . 1 1 31 31 ILE N N 15 127.202 0.3 . 1 . . . . . 210 ILE N . 27628 1 116 . 1 1 35 35 GLU H H 1 8.994 0.020 . 1 . . . . . 214 GLU H . 27628 1 117 . 1 1 35 35 GLU C C 13 176.630 0.3 . 1 . . . . . 214 GLU C . 27628 1 118 . 1 1 35 35 GLU CA C 13 57.237 0.3 . 1 . . . . . 214 GLU CA . 27628 1 119 . 1 1 35 35 GLU CB C 13 28.301 0.3 . 1 . . . . . 214 GLU CB . 27628 1 120 . 1 1 35 35 GLU N N 15 116.924 0.3 . 1 . . . . . 214 GLU N . 27628 1 121 . 1 1 36 36 LEU H H 1 7.067 0.020 . 1 . . . . . 215 LEU H . 27628 1 122 . 1 1 36 36 LEU C C 13 175.900 0.3 . 1 . . . . . 215 LEU C . 27628 1 123 . 1 1 36 36 LEU CA C 13 54.725 0.3 . 1 . . . . . 215 LEU CA . 27628 1 124 . 1 1 36 36 LEU CB C 13 42.783 0.3 . 1 . . . . . 215 LEU CB . 27628 1 125 . 1 1 36 36 LEU N N 15 120.492 0.3 . 1 . . . . . 215 LEU N . 27628 1 126 . 1 1 37 37 ASP H H 1 8.231 0.020 . 1 . . . . . 216 ASP H . 27628 1 127 . 1 1 37 37 ASP C C 13 175.743 0.3 . 1 . . . . . 216 ASP C . 27628 1 128 . 1 1 37 37 ASP CA C 13 52.813 0.3 . 1 . . . . . 216 ASP CA . 27628 1 129 . 1 1 37 37 ASP CB C 13 41.941 0.3 . 1 . . . . . 216 ASP CB . 27628 1 130 . 1 1 37 37 ASP N N 15 120.303 0.3 . 1 . . . . . 216 ASP N . 27628 1 131 . 1 1 38 38 ASP H H 1 8.748 0.020 . 1 . . . . . 217 ASP H . 27628 1 132 . 1 1 38 38 ASP C C 13 177.707 0.3 . 1 . . . . . 217 ASP C . 27628 1 133 . 1 1 38 38 ASP CA C 13 58.030 0.3 . 1 . . . . . 217 ASP CA . 27628 1 134 . 1 1 38 38 ASP CB C 13 39.752 0.3 . 1 . . . . . 217 ASP CB . 27628 1 135 . 1 1 38 38 ASP N N 15 119.837 0.3 . 1 . . . . . 217 ASP N . 27628 1 136 . 1 1 39 39 MET H H 1 8.393 0.020 . 1 . . . . . 218 MET H . 27628 1 137 . 1 1 39 39 MET CA C 13 58.501 0.3 . 1 . . . . . 218 MET CA . 27628 1 138 . 1 1 39 39 MET CB C 13 30.598 0.3 . 1 . . . . . 218 MET CB . 27628 1 139 . 1 1 39 39 MET N N 15 116.662 0.3 . 1 . . . . . 218 MET N . 27628 1 140 . 1 1 40 40 THR H H 1 8.120 0.020 . 1 . . . . . 219 THR H . 27628 1 141 . 1 1 40 40 THR CA C 13 66.978 0.3 . 1 . . . . . 219 THR CA . 27628 1 142 . 1 1 40 40 THR N N 15 119.281 0.3 . 1 . . . . . 219 THR N . 27628 1 143 . 1 1 41 41 LEU H H 1 7.919 0.020 . 1 . . . . . 220 LEU H . 27628 1 144 . 1 1 41 41 LEU C C 13 179.414 0.3 . 1 . . . . . 220 LEU C . 27628 1 145 . 1 1 41 41 LEU CA C 13 58.220 0.3 . 1 . . . . . 220 LEU CA . 27628 1 146 . 1 1 41 41 LEU CB C 13 40.875 0.3 . 1 . . . . . 220 LEU CB . 27628 1 147 . 1 1 41 41 LEU N N 15 121.310 0.3 . 1 . . . . . 220 LEU N . 27628 1 148 . 1 1 42 42 TRP H H 1 8.841 0.020 . 1 . . . . . 221 TRP H . 27628 1 149 . 1 1 42 42 TRP C C 13 178.740 0.3 . 1 . . . . . 221 TRP C . 27628 1 150 . 1 1 42 42 TRP CA C 13 60.297 0.3 . 1 . . . . . 221 TRP CA . 27628 1 151 . 1 1 42 42 TRP CB C 13 29.648 0.3 . 1 . . . . . 221 TRP CB . 27628 1 152 . 1 1 42 42 TRP N N 15 118.462 0.3 . 1 . . . . . 221 TRP N . 27628 1 153 . 1 1 43 43 GLN H H 1 7.811 0.020 . 1 . . . . . 222 GLN H . 27628 1 154 . 1 1 43 43 GLN C C 13 178.291 0.3 . 1 . . . . . 222 GLN C . 27628 1 155 . 1 1 43 43 GLN CA C 13 58.638 0.3 . 1 . . . . . 222 GLN CA . 27628 1 156 . 1 1 43 43 GLN CB C 13 27.908 0.3 . 1 . . . . . 222 GLN CB . 27628 1 157 . 1 1 43 43 GLN N N 15 118.312 0.3 . 1 . . . . . 222 GLN N . 27628 1 158 . 1 1 44 44 ILE H H 1 7.777 0.020 . 1 . . . . . 223 ILE H . 27628 1 159 . 1 1 44 44 ILE C C 13 178.111 0.3 . 1 . . . . . 223 ILE C . 27628 1 160 . 1 1 44 44 ILE CA C 13 65.969 0.3 . 1 . . . . . 223 ILE CA . 27628 1 161 . 1 1 44 44 ILE CB C 13 37.508 0.3 . 1 . . . . . 223 ILE CB . 27628 1 162 . 1 1 44 44 ILE N N 15 121.212 0.3 . 1 . . . . . 223 ILE N . 27628 1 163 . 1 1 45 45 VAL H H 1 7.900 0.020 . 1 . . . . . 224 VAL H . 27628 1 164 . 1 1 45 45 VAL CA C 13 67.460 0.3 . 1 . . . . . 224 VAL CA . 27628 1 165 . 1 1 45 45 VAL CB C 13 31.500 0.3 . 1 . . . . . 224 VAL CB . 27628 1 166 . 1 1 45 45 VAL N N 15 119.211 0.3 . 1 . . . . . 224 VAL N . 27628 1 167 . 1 1 46 46 ILE H H 1 8.415 0.020 . 1 . . . . . 225 ILE H . 27628 1 168 . 1 1 46 46 ILE CA C 13 65.547 0.3 . 1 . . . . . 225 ILE CA . 27628 1 169 . 1 1 46 46 ILE N N 15 118.233 0.3 . 1 . . . . . 225 ILE N . 27628 1 170 . 1 1 47 47 ASN H H 1 8.422 0.020 . 1 . . . . . 226 ASN H . 27628 1 171 . 1 1 47 47 ASN C C 13 178.336 0.3 . 1 . . . . . 226 ASN C . 27628 1 172 . 1 1 47 47 ASN CA C 13 56.525 0.3 . 1 . . . . . 226 ASN CA . 27628 1 173 . 1 1 47 47 ASN CB C 13 39.752 0.3 . 1 . . . . . 226 ASN CB . 27628 1 174 . 1 1 47 47 ASN N N 15 120.886 0.3 . 1 . . . . . 226 ASN N . 27628 1 175 . 1 1 48 48 ILE H H 1 8.421 0.020 . 1 . . . . . 227 ILE H . 27628 1 176 . 1 1 48 48 ILE C C 13 179.009 0.3 . 1 . . . . . 227 ILE C . 27628 1 177 . 1 1 48 48 ILE CA C 13 64.766 0.3 . 1 . . . . . 227 ILE CA . 27628 1 178 . 1 1 48 48 ILE CB C 13 37.959 0.3 . 1 . . . . . 227 ILE CB . 27628 1 179 . 1 1 48 48 ILE N N 15 120.931 0.3 . 1 . . . . . 227 ILE N . 27628 1 180 . 1 1 49 49 LEU H H 1 8.156 0.020 . 1 . . . . . 228 LEU H . 27628 1 181 . 1 1 49 49 LEU C C 13 178.149 0.3 . 1 . . . . . 228 LEU C . 27628 1 182 . 1 1 49 49 LEU CA C 13 56.309 0.3 . 1 . . . . . 228 LEU CA . 27628 1 183 . 1 1 49 49 LEU CB C 13 42.166 0.3 . 1 . . . . . 228 LEU CB . 27628 1 184 . 1 1 49 49 LEU N N 15 118.157 0.3 . 1 . . . . . 228 LEU N . 27628 1 185 . 1 1 50 50 SER H H 1 7.766 0.020 . 1 . . . . . 229 SER H . 27628 1 186 . 1 1 50 50 SER C C 13 173.573 0.3 . 1 . . . . . 229 SER C . 27628 1 187 . 1 1 50 50 SER CA C 13 59.516 0.3 . 1 . . . . . 229 SER CA . 27628 1 188 . 1 1 50 50 SER CB C 13 63.890 0.3 . 1 . . . . . 229 SER CB . 27628 1 189 . 1 1 50 50 SER N N 15 113.389 0.3 . 1 . . . . . 229 SER N . 27628 1 190 . 1 1 51 51 GLU H H 1 7.575 0.020 . 1 . . . . . 230 GLU H . 27628 1 191 . 1 1 51 51 GLU C C 13 173.761 0.3 . 1 . . . . . 230 GLU C . 27628 1 192 . 1 1 51 51 GLU CA C 13 54.548 0.3 . 1 . . . . . 230 GLU CA . 27628 1 193 . 1 1 51 51 GLU CB C 13 29.761 0.3 . 1 . . . . . 230 GLU CB . 27628 1 194 . 1 1 51 51 GLU N N 15 123.471 0.3 . 1 . . . . . 230 GLU N . 27628 1 195 . 1 1 54 54 LYS H H 1 8.071 0.020 . 1 . . . . . 233 LYS H . 27628 1 196 . 1 1 54 54 LYS C C 13 181.625 0.3 . 1 . . . . . 233 LYS C . 27628 1 197 . 1 1 54 54 LYS CA C 13 57.578 0.3 . 1 . . . . . 233 LYS CA . 27628 1 198 . 1 1 54 54 LYS CB C 13 33.635 0.3 . 1 . . . . . 233 LYS CB . 27628 1 199 . 1 1 54 54 LYS N N 15 126.941 0.3 . 1 . . . . . 233 LYS N . 27628 1 stop_ save_