################################### # 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 18689 _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' . . . 18689 1 2 '3D HNCACB' . . . 18689 1 3 '3D CBCA(CO)NH' . . . 18689 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.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 3 3 LEU H H 1 8.459 0.02 . 1 . . . . 218 LEU H . 18689 1 2 . 1 1 3 3 LEU N N 15 123.705 0.3 . 1 . . . . 218 LEU N . 18689 1 3 . 1 1 4 4 PRO CA C 13 62.949 0.3 . 1 . . . . 219 PRO CA . 18689 1 4 . 1 1 4 4 PRO CB C 13 32.172 0.3 . 1 . . . . 219 PRO CB . 18689 1 5 . 1 1 5 5 GLU H H 1 8.814 0.02 . 1 . . . . 220 GLU H . 18689 1 6 . 1 1 5 5 GLU CA C 13 59.21 0.3 . 1 . . . . 220 GLU CA . 18689 1 7 . 1 1 5 5 GLU CB C 13 29.517 0.3 . 1 . . . . 220 GLU CB . 18689 1 8 . 1 1 5 5 GLU N N 15 121.955 0.3 . 1 . . . . 220 GLU N . 18689 1 9 . 1 1 6 6 ASN H H 1 8.821 0.02 . 1 . . . . 221 ASN H . 18689 1 10 . 1 1 6 6 ASN CA C 13 56.663 0.3 . 1 . . . . 221 ASN CA . 18689 1 11 . 1 1 6 6 ASN CB C 13 36.723 0.3 . 1 . . . . 221 ASN CB . 18689 1 12 . 1 1 6 6 ASN N N 15 117.143 0.3 . 1 . . . . 221 ASN N . 18689 1 13 . 1 1 7 7 LYS H H 1 7.434 0.02 . 1 . . . . 222 LYS H . 18689 1 14 . 1 1 7 7 LYS CA C 13 59.978 0.3 . 1 . . . . 222 LYS CA . 18689 1 15 . 1 1 7 7 LYS CB C 13 32.714 0.3 . 1 . . . . 222 LYS CB . 18689 1 16 . 1 1 7 7 LYS N N 15 119.002 0.3 . 1 . . . . 222 LYS N . 18689 1 17 . 1 1 8 8 LYS H H 1 7.94 0.02 . 1 . . . . 223 LYS H . 18689 1 18 . 1 1 8 8 LYS CA C 13 59.969 0.3 . 1 . . . . 223 LYS CA . 18689 1 19 . 1 1 8 8 LYS CB C 13 32.497 0.3 . 1 . . . . 223 LYS CB . 18689 1 20 . 1 1 8 8 LYS N N 15 120.096 0.3 . 1 . . . . 223 LYS N . 18689 1 21 . 1 1 9 9 GLN H H 1 8.439 0.02 . 1 . . . . 224 GLN H . 18689 1 22 . 1 1 9 9 GLN CA C 13 58.289 0.3 . 1 . . . . 224 GLN CA . 18689 1 23 . 1 1 9 9 GLN CB C 13 28.325 0.3 . 1 . . . . 224 GLN CB . 18689 1 24 . 1 1 9 9 GLN N N 15 119.112 0.3 . 1 . . . . 224 GLN N . 18689 1 25 . 1 1 10 10 ALA H H 1 8.322 0.02 . 1 . . . . 225 ALA H . 18689 1 26 . 1 1 10 10 ALA CA C 13 55.796 0.3 . 1 . . . . 225 ALA CA . 18689 1 27 . 1 1 10 10 ALA CB C 13 18.897 0.3 . 1 . . . . 225 ALA CB . 18689 1 28 . 1 1 10 10 ALA N N 15 123.487 0.3 . 1 . . . . 225 ALA N . 18689 1 29 . 1 1 11 11 LEU H H 1 7.735 0.02 . 1 . . . . 226 LEU H . 18689 1 30 . 1 1 11 11 LEU CA C 13 58.018 0.3 . 1 . . . . 226 LEU CA . 18689 1 31 . 1 1 11 11 LEU CB C 13 42.088 0.3 . 1 . . . . 226 LEU CB . 18689 1 32 . 1 1 11 11 LEU N N 15 117.362 0.3 . 1 . . . . 226 LEU N . 18689 1 33 . 1 1 12 12 LYS H H 1 7.352 0.02 . 1 . . . . 227 LYS H . 18689 1 34 . 1 1 12 12 LYS CA C 13 58.993 0.3 . 1 . . . . 227 LYS CA . 18689 1 35 . 1 1 12 12 LYS CB C 13 31.738 0.3 . 1 . . . . 227 LYS CB . 18689 1 36 . 1 1 12 12 LYS N N 15 119.768 0.3 . 1 . . . . 227 LYS N . 18689 1 37 . 1 1 13 13 GLU H H 1 7.946 0.02 . 1 . . . . 228 GLU H . 18689 1 38 . 1 1 13 13 GLU CA C 13 59.21 0.3 . 1 . . . . 228 GLU CA . 18689 1 39 . 1 1 13 13 GLU N N 15 119.233 0.3 . 1 . . . . 228 GLU N . 18689 1 40 . 1 1 14 14 LYS H H 1 8.657 0.02 . 1 . . . . 229 LYS H . 18689 1 41 . 1 1 14 14 LYS CA C 13 60.294 0.3 . 1 . . . . 229 LYS CA . 18689 1 42 . 1 1 14 14 LYS CB C 13 30.98 0.3 . 1 . . . . 229 LYS CB . 18689 1 43 . 1 1 14 14 LYS N N 15 120.643 0.3 . 1 . . . . 229 LYS N . 18689 1 44 . 1 1 15 15 GLU H H 1 7.919 0.02 . 1 . . . . 230 GLU H . 18689 1 45 . 1 1 15 15 GLU CA C 13 59.535 0.3 . 1 . . . . 230 GLU CA . 18689 1 46 . 1 1 15 15 GLU CB C 13 29.137 0.3 . 1 . . . . 230 GLU CB . 18689 1 47 . 1 1 15 15 GLU N N 15 119.187 0.3 . 1 . . . . 230 GLU N . 18689 1 48 . 1 1 16 16 LEU H H 1 8.014 0.02 . 1 . . . . 231 LEU H . 18689 1 49 . 1 1 16 16 LEU N N 15 117.363 0.3 . 1 . . . . 231 LEU N . 18689 1 50 . 1 1 17 17 GLY H H 1 8.712 0.02 . 1 . . . . 232 GLY H . 18689 1 51 . 1 1 17 17 GLY CA C 13 47.994 0.3 . 1 . . . . 232 GLY CA . 18689 1 52 . 1 1 17 17 GLY N N 15 109.487 0.3 . 1 . . . . 232 GLY N . 18689 1 53 . 1 1 18 18 ASN H H 1 9.04 0.02 . 1 . . . . 233 ASN H . 18689 1 54 . 1 1 18 18 ASN CA C 13 55.417 0.3 . 1 . . . . 233 ASN CA . 18689 1 55 . 1 1 18 18 ASN CB C 13 37.428 0.3 . 1 . . . . 233 ASN CB . 18689 1 56 . 1 1 18 18 ASN N N 15 121.846 0.3 . 1 . . . . 233 ASN N . 18689 1 57 . 1 1 19 19 ASP H H 1 8.152 0.02 . 1 . . . . 234 ASP H . 18689 1 58 . 1 1 19 19 ASP CA C 13 57.693 0.3 . 1 . . . . 234 ASP CA . 18689 1 59 . 1 1 19 19 ASP CB C 13 41.221 0.3 . 1 . . . . 234 ASP CB . 18689 1 60 . 1 1 19 19 ASP N N 15 121.737 0.3 . 1 . . . . 234 ASP N . 18689 1 61 . 1 1 20 20 ALA H H 1 7.53 0.02 . 1 . . . . 235 ALA H . 18689 1 62 . 1 1 20 20 ALA CA C 13 55.038 0.3 . 1 . . . . 235 ALA CA . 18689 1 63 . 1 1 20 20 ALA CB C 13 17.217 0.3 . 1 . . . . 235 ALA CB . 18689 1 64 . 1 1 20 20 ALA N N 15 120.971 0.3 . 1 . . . . 235 ALA N . 18689 1 65 . 1 1 21 21 TYR H H 1 9.135 0.02 . 1 . . . . 236 TYR H . 18689 1 66 . 1 1 21 21 TYR CA C 13 61.486 0.3 . 1 . . . . 236 TYR CA . 18689 1 67 . 1 1 21 21 TYR CB C 13 39.27 0.3 . 1 . . . . 236 TYR CB . 18689 1 68 . 1 1 21 21 TYR N N 15 121.08 0.3 . 1 . . . . 236 TYR N . 18689 1 69 . 1 1 22 22 LYS H H 1 8.357 0.02 . 1 . . . . 237 LYS H . 18689 1 70 . 1 1 22 22 LYS CA C 13 59.318 0.3 . 1 . . . . 237 LYS CA . 18689 1 71 . 1 1 22 22 LYS CB C 13 32.28 0.3 . 1 . . . . 237 LYS CB . 18689 1 72 . 1 1 22 22 LYS N N 15 121.19 0.3 . 1 . . . . 237 LYS N . 18689 1 73 . 1 1 23 23 LYS H H 1 7.209 0.02 . 1 . . . . 238 LYS H . 18689 1 74 . 1 1 23 23 LYS CA C 13 56.176 0.3 . 1 . . . . 238 LYS CA . 18689 1 75 . 1 1 23 23 LYS CB C 13 32.497 0.3 . 1 . . . . 238 LYS CB . 18689 1 76 . 1 1 23 23 LYS N N 15 117.252 0.3 . 1 . . . . 238 LYS N . 18689 1 77 . 1 1 24 24 LYS H H 1 7.687 0.02 . 1 . . . . 239 LYS H . 18689 1 78 . 1 1 24 24 LYS CA C 13 56.609 0.3 . 1 . . . . 239 LYS CA . 18689 1 79 . 1 1 24 24 LYS CB C 13 28.216 0.3 . 1 . . . . 239 LYS CB . 18689 1 80 . 1 1 24 24 LYS N N 15 113.533 0.3 . 1 . . . . 239 LYS N . 18689 1 81 . 1 1 25 25 ASP H H 1 8.056 0.02 . 1 . . . . 240 ASP H . 18689 1 82 . 1 1 25 25 ASP CB C 13 38.837 0.3 . 1 . . . . 240 ASP CB . 18689 1 83 . 1 1 25 25 ASP N N 15 119.987 0.3 . 1 . . . . 240 ASP N . 18689 1 84 . 1 1 26 26 PHE H H 1 7.277 0.02 . 1 . . . . 241 PHE H . 18689 1 85 . 1 1 26 26 PHE CA C 13 60.077 0.3 . 1 . . . . 241 PHE CA . 18689 1 86 . 1 1 26 26 PHE CB C 13 38.024 0.3 . 1 . . . . 241 PHE CB . 18689 1 87 . 1 1 26 26 PHE N N 15 119.987 0.3 . 1 . . . . 241 PHE N . 18689 1 88 . 1 1 27 27 ASP H H 1 8.691 0.02 . 1 . . . . 242 ASP H . 18689 1 89 . 1 1 27 27 ASP CA C 13 57.639 0.3 . 1 . . . . 242 ASP CA . 18689 1 90 . 1 1 27 27 ASP CB C 13 39.974 0.3 . 1 . . . . 242 ASP CB . 18689 1 91 . 1 1 27 27 ASP N N 15 119.112 0.3 . 1 . . . . 242 ASP N . 18689 1 92 . 1 1 28 28 LYS H H 1 7.318 0.02 . 1 . . . . 243 LYS H . 18689 1 93 . 1 1 28 28 LYS CA C 13 59.102 0.3 . 1 . . . . 243 LYS CA . 18689 1 94 . 1 1 28 28 LYS CB C 13 33.31 0.3 . 1 . . . . 243 LYS CB . 18689 1 95 . 1 1 28 28 LYS N N 15 121.518 0.3 . 1 . . . . 243 LYS N . 18689 1 96 . 1 1 29 29 ALA H H 1 8.152 0.02 . 1 . . . . 244 ALA H . 18689 1 97 . 1 1 29 29 ALA CA C 13 55.796 0.3 . 1 . . . . 244 ALA CA . 18689 1 98 . 1 1 29 29 ALA CB C 13 18.03 0.3 . 1 . . . . 244 ALA CB . 18689 1 99 . 1 1 29 29 ALA N N 15 120.205 0.3 . 1 . . . . 244 ALA N . 18689 1 100 . 1 1 30 30 LEU H H 1 8.145 0.02 . 1 . . . . 245 LEU H . 18689 1 101 . 1 1 30 30 LEU CA C 13 58.397 0.3 . 1 . . . . 245 LEU CA . 18689 1 102 . 1 1 30 30 LEU CB C 13 41.925 0.3 . 1 . . . . 245 LEU CB . 18689 1 103 . 1 1 30 30 LEU N N 15 114.737 0.3 . 1 . . . . 245 LEU N . 18689 1 104 . 1 1 31 31 LYS H H 1 7.304 0.02 . 1 . . . . 246 LYS H . 18689 1 105 . 1 1 31 31 LYS CA C 13 59.373 0.3 . 1 . . . . 246 LYS CA . 18689 1 106 . 1 1 31 31 LYS CB C 13 31.847 0.3 . 1 . . . . 246 LYS CB . 18689 1 107 . 1 1 31 31 LYS N N 15 118.127 0.3 . 1 . . . . 246 LYS N . 18689 1 108 . 1 1 32 32 HIS H H 1 7.537 0.02 . 1 . . . . 247 HIS H . 18689 1 109 . 1 1 32 32 HIS CA C 13 59.643 0.3 . 1 . . . . 247 HIS CA . 18689 1 110 . 1 1 32 32 HIS CB C 13 28 0.3 . 1 . . . . 247 HIS CB . 18689 1 111 . 1 1 32 32 HIS N N 15 118.237 0.3 . 1 . . . . 247 HIS N . 18689 1 112 . 1 1 33 33 TYR H H 1 8.719 0.02 . 1 . . . . 248 TYR H . 18689 1 113 . 1 1 33 33 TYR CA C 13 58.614 0.3 . 1 . . . . 248 TYR CA . 18689 1 114 . 1 1 33 33 TYR CB C 13 37.536 0.3 . 1 . . . . 248 TYR CB . 18689 1 115 . 1 1 33 33 TYR N N 15 118.455 0.3 . 1 . . . . 248 TYR N . 18689 1 116 . 1 1 34 34 ASP H H 1 8.944 0.02 . 1 . . . . 249 ASP H . 18689 1 117 . 1 1 34 34 ASP CA C 13 57.476 0.3 . 1 . . . . 249 ASP CA . 18689 1 118 . 1 1 34 34 ASP CB C 13 40.787 0.3 . 1 . . . . 249 ASP CB . 18689 1 119 . 1 1 34 34 ASP N N 15 119.877 0.3 . 1 . . . . 249 ASP N . 18689 1 120 . 1 1 35 35 ARG H H 1 7.564 0.02 . 1 . . . . 250 ARG H . 18689 1 121 . 1 1 35 35 ARG CA C 13 58.126 0.3 . 1 . . . . 250 ARG CA . 18689 1 122 . 1 1 35 35 ARG CB C 13 29.246 0.3 . 1 . . . . 250 ARG CB . 18689 1 123 . 1 1 35 35 ARG N N 15 120.205 0.3 . 1 . . . . 250 ARG N . 18689 1 124 . 1 1 36 36 ALA H H 1 8.295 0.02 . 1 . . . . 251 ALA H . 18689 1 125 . 1 1 36 36 ALA CA C 13 55.905 0.3 . 1 . . . . 251 ALA CA . 18689 1 126 . 1 1 36 36 ALA CB C 13 16.35 0.3 . 1 . . . . 251 ALA CB . 18689 1 127 . 1 1 36 36 ALA N N 15 121.846 0.3 . 1 . . . . 251 ALA N . 18689 1 128 . 1 1 37 37 LYS H H 1 7.845 0.02 . 1 . . . . 252 LYS H . 18689 1 129 . 1 1 37 37 LYS CA C 13 58.56 0.3 . 1 . . . . 252 LYS CA . 18689 1 130 . 1 1 37 37 LYS CB C 13 32.063 0.3 . 1 . . . . 252 LYS CB . 18689 1 131 . 1 1 37 37 LYS N N 15 116.378 0.3 . 1 . . . . 252 LYS N . 18689 1 132 . 1 1 38 38 GLU H H 1 7.673 0.02 . 1 . . . . 253 GLU H . 18689 1 133 . 1 1 38 38 GLU CA C 13 58.56 0.3 . 1 . . . . 253 GLU CA . 18689 1 134 . 1 1 38 38 GLU CB C 13 29.896 0.3 . 1 . . . . 253 GLU CB . 18689 1 135 . 1 1 38 38 GLU N N 15 116.924 0.3 . 1 . . . . 253 GLU N . 18689 1 136 . 1 1 39 39 LEU H H 1 7.881 0.02 . 1 . . . . 254 LEU H . 18689 1 137 . 1 1 39 39 LEU CB C 13 43.659 0.3 . 1 . . . . 254 LEU CB . 18689 1 138 . 1 1 39 39 LEU N N 15 119.004 0.3 . 1 . . . . 254 LEU N . 18689 1 139 . 1 1 40 40 ASP H H 1 8.179 0.02 . 1 . . . . 255 ASP H . 18689 1 140 . 1 1 40 40 ASP CA C 13 51.191 0.3 . 1 . . . . 255 ASP CA . 18689 1 141 . 1 1 40 40 ASP CB C 13 41.492 0.3 . 1 . . . . 255 ASP CB . 18689 1 142 . 1 1 40 40 ASP N N 15 115.83 0.3 . 1 . . . . 255 ASP N . 18689 1 143 . 1 1 41 41 PRO CA C 13 64.141 0.3 . 1 . . . . 256 PRO CA . 18689 1 144 . 1 1 41 41 PRO CB C 13 32.714 0.3 . 1 . . . . 256 PRO CB . 18689 1 145 . 1 1 42 42 THR H H 1 7.796 0.02 . 1 . . . . 257 THR H . 18689 1 146 . 1 1 42 42 THR CA C 13 61.486 0.3 . 1 . . . . 257 THR CA . 18689 1 147 . 1 1 42 42 THR CB C 13 69.017 0.3 . 1 . . . . 257 THR CB . 18689 1 148 . 1 1 42 42 THR N N 15 108.283 0.3 . 1 . . . . 257 THR N . 18689 1 149 . 1 1 43 43 ASN H H 1 6.908 0.02 . 1 . . . . 258 ASN H . 18689 1 150 . 1 1 43 43 ASN CA C 13 51.516 0.3 . 1 . . . . 258 ASN CA . 18689 1 151 . 1 1 43 43 ASN CB C 13 39.487 0.3 . 1 . . . . 258 ASN CB . 18689 1 152 . 1 1 43 43 ASN N N 15 118.893 0.3 . 1 . . . . 258 ASN N . 18689 1 153 . 1 1 44 44 MET H H 1 9.887 0.02 . 1 . . . . 259 MET H . 18689 1 154 . 1 1 44 44 MET CA C 13 58.777 0.3 . 1 . . . . 259 MET CA . 18689 1 155 . 1 1 44 44 MET CB C 13 32.93 0.3 . 1 . . . . 259 MET CB . 18689 1 156 . 1 1 44 44 MET N N 15 126.112 0.3 . 1 . . . . 259 MET N . 18689 1 157 . 1 1 45 45 THR H H 1 8.076 0.02 . 1 . . . . 260 THR H . 18689 1 158 . 1 1 45 45 THR CA C 13 64.683 0.3 . 1 . . . . 260 THR CA . 18689 1 159 . 1 1 45 45 THR CB C 13 68.096 0.3 . 1 . . . . 260 THR CB . 18689 1 160 . 1 1 45 45 THR N N 15 115.174 0.3 . 1 . . . . 260 THR N . 18689 1 161 . 1 1 46 46 TYR H H 1 6.505 0.02 . 1 . . . . 261 TYR H . 18689 1 162 . 1 1 46 46 TYR CA C 13 58.18 0.3 . 1 . . . . 261 TYR CA . 18689 1 163 . 1 1 46 46 TYR CB C 13 35.748 0.3 . 1 . . . . 261 TYR CB . 18689 1 164 . 1 1 46 46 TYR N N 15 119.987 0.3 . 1 . . . . 261 TYR N . 18689 1 165 . 1 1 47 47 ILE H H 1 7.206 0.02 . 1 . . . . 262 ILE H . 18689 1 166 . 1 1 47 47 ILE CA C 13 63.924 0.3 . 1 . . . . 262 ILE CA . 18689 1 167 . 1 1 47 47 ILE CB C 13 38.511 0.3 . 1 . . . . 262 ILE CB . 18689 1 168 . 1 1 47 47 ILE N N 15 117.476 0.3 . 1 . . . . 262 ILE N . 18689 1 169 . 1 1 48 48 THR H H 1 8.213 0.02 . 1 . . . . 263 THR H . 18689 1 170 . 1 1 48 48 THR CA C 13 65.929 0.3 . 1 . . . . 263 THR CA . 18689 1 171 . 1 1 48 48 THR CB C 13 67.338 0.3 . 1 . . . . 263 THR CB . 18689 1 172 . 1 1 48 48 THR N N 15 113.643 0.3 . 1 . . . . 263 THR N . 18689 1 173 . 1 1 49 49 ASN H H 1 8.24 0.02 . 1 . . . . 264 ASN H . 18689 1 174 . 1 1 49 49 ASN CA C 13 56.135 0.3 . 1 . . . . 264 ASN CA . 18689 1 175 . 1 1 49 49 ASN CB C 13 35.694 0.3 . 1 . . . . 264 ASN CB . 18689 1 176 . 1 1 49 49 ASN N N 15 121.737 0.3 . 1 . . . . 264 ASN N . 18689 1 177 . 1 1 50 50 GLN H H 1 7.168 0.02 . 1 . . . . 265 GLN H . 18689 1 178 . 1 1 50 50 GLN CA C 13 59.86 0.3 . 1 . . . . 265 GLN CA . 18689 1 179 . 1 1 50 50 GLN CB C 13 29.625 0.3 . 1 . . . . 265 GLN CB . 18689 1 180 . 1 1 50 50 GLN N N 15 117.58 0.3 . 1 . . . . 265 GLN N . 18689 1 181 . 1 1 51 51 ALA H H 1 8.319 0.02 . 1 . . . . 266 ALA H . 18689 1 182 . 1 1 51 51 ALA CA C 13 55.959 0.3 . 1 . . . . 266 ALA CA . 18689 1 183 . 1 1 51 51 ALA CB C 13 19.655 0.3 . 1 . . . . 266 ALA CB . 18689 1 184 . 1 1 51 51 ALA N N 15 121.192 0.3 . 1 . . . . 266 ALA N . 18689 1 185 . 1 1 52 52 ALA H H 1 8.07 0.02 . 1 . . . . 267 ALA H . 18689 1 186 . 1 1 52 52 ALA CA C 13 55.688 0.3 . 1 . . . . 267 ALA CA . 18689 1 187 . 1 1 52 52 ALA CB C 13 17.924 0.3 . 1 . . . . 267 ALA CB . 18689 1 188 . 1 1 52 52 ALA N N 15 120.315 0.3 . 1 . . . . 267 ALA N . 18689 1 189 . 1 1 53 53 VAL H H 1 7.386 0.02 . 1 . . . . 268 VAL H . 18689 1 190 . 1 1 53 53 VAL CA C 13 67.067 0.3 . 1 . . . . 268 VAL CA . 18689 1 191 . 1 1 53 53 VAL CB C 13 30.871 0.3 . 1 . . . . 268 VAL CB . 18689 1 192 . 1 1 53 53 VAL N N 15 117.799 0.3 . 1 . . . . 268 VAL N . 18689 1 193 . 1 1 54 54 HIS H H 1 7.503 0.02 . 1 . . . . 269 HIS H . 18689 1 194 . 1 1 54 54 HIS CA C 13 60.944 0.3 . 1 . . . . 269 HIS CA . 18689 1 195 . 1 1 54 54 HIS CB C 13 30.004 0.3 . 1 . . . . 269 HIS CB . 18689 1 196 . 1 1 54 54 HIS N N 15 116.815 0.3 . 1 . . . . 269 HIS N . 18689 1 197 . 1 1 55 55 PHE H H 1 8.575 0.02 . 1 . . . . 270 PHE H . 18689 1 198 . 1 1 55 55 PHE CA C 13 61.865 0.3 . 1 . . . . 270 PHE CA . 18689 1 199 . 1 1 55 55 PHE CB C 13 38.728 0.3 . 1 . . . . 270 PHE CB . 18689 1 200 . 1 1 55 55 PHE N N 15 119.59 0.3 . 1 . . . . 270 PHE N . 18689 1 201 . 1 1 56 56 GLU H H 1 8.128 0.02 . 1 . . . . 271 GLU H . 18689 1 202 . 1 1 56 56 GLU CA C 13 58.993 0.3 . 1 . . . . 271 GLU CA . 18689 1 203 . 1 1 56 56 GLU CB C 13 29.137 0.3 . 1 . . . . 271 GLU CB . 18689 1 204 . 1 1 56 56 GLU N N 15 121.343 0.3 . 1 . . . . 271 GLU N . 18689 1 205 . 1 1 57 57 LYS H H 1 7.639 0.02 . 1 . . . . 272 LYS H . 18689 1 206 . 1 1 57 57 LYS CA C 13 56.988 0.3 . 1 . . . . 272 LYS CA . 18689 1 207 . 1 1 57 57 LYS CB C 13 32.551 0.3 . 1 . . . . 272 LYS CB . 18689 1 208 . 1 1 57 57 LYS N N 15 115.612 0.3 . 1 . . . . 272 LYS N . 18689 1 209 . 1 1 58 58 GLY H H 1 7.489 0.02 . 1 . . . . 273 GLY H . 18689 1 210 . 1 1 58 58 GLY CA C 13 44.309 0.3 . 1 . . . . 273 GLY CA . 18689 1 211 . 1 1 58 58 GLY N N 15 107.299 0.3 . 1 . . . . 273 GLY N . 18689 1 212 . 1 1 59 59 ASP H H 1 7.906 0.02 . 1 . . . . 274 ASP H . 18689 1 213 . 1 1 59 59 ASP CA C 13 51.028 0.3 . 1 . . . . 274 ASP CA . 18689 1 214 . 1 1 59 59 ASP CB C 13 39.162 0.3 . 1 . . . . 274 ASP CB . 18689 1 215 . 1 1 59 59 ASP N N 15 121.08 0.3 . 1 . . . . 274 ASP N . 18689 1 216 . 1 1 60 60 TYR H H 1 7.072 0.02 . 1 . . . . 275 TYR H . 18689 1 217 . 1 1 60 60 TYR CA C 13 61.052 0.3 . 1 . . . . 275 TYR CA . 18689 1 218 . 1 1 60 60 TYR CB C 13 36.886 0.3 . 1 . . . . 275 TYR CB . 18689 1 219 . 1 1 60 60 TYR N N 15 122.065 0.3 . 1 . . . . 275 TYR N . 18689 1 220 . 1 1 61 61 ASN H H 1 8.81 0.02 . 1 . . . . 276 ASN H . 18689 1 221 . 1 1 61 61 ASN CA C 13 56.896 0.3 . 1 . . . . 276 ASN CA . 18689 1 222 . 1 1 61 61 ASN CB C 13 37.929 0.3 . 1 . . . . 276 ASN CB . 18689 1 223 . 1 1 61 61 ASN N N 15 118.584 0.3 . 1 . . . . 276 ASN N . 18689 1 224 . 1 1 62 62 LYS H H 1 7.667 0.02 . 1 . . . . 277 LYS H . 18689 1 225 . 1 1 62 62 LYS CA C 13 57.747 0.3 . 1 . . . . 277 LYS CA . 18689 1 226 . 1 1 62 62 LYS CB C 13 31.684 0.3 . 1 . . . . 277 LYS CB . 18689 1 227 . 1 1 62 62 LYS N N 15 121.518 0.3 . 1 . . . . 277 LYS N . 18689 1 228 . 1 1 63 63 CYS H H 1 7.913 0.02 . 1 . . . . 278 CYS H . 18689 1 229 . 1 1 63 63 CYS CA C 13 62.353 0.3 . 1 . . . . 278 CYS CA . 18689 1 230 . 1 1 63 63 CYS CB C 13 26.211 0.3 . 1 . . . . 278 CYS CB . 18689 1 231 . 1 1 63 63 CYS N N 15 116.049 0.3 . 1 . . . . 278 CYS N . 18689 1 232 . 1 1 64 64 ARG H H 1 8.275 0.02 . 1 . . . . 279 ARG H . 18689 1 233 . 1 1 64 64 ARG CA C 13 62.407 0.3 . 1 . . . . 279 ARG CA . 18689 1 234 . 1 1 64 64 ARG CB C 13 31.142 0.3 . 1 . . . . 279 ARG CB . 18689 1 235 . 1 1 64 64 ARG N N 15 119.112 0.3 . 1 . . . . 279 ARG N . 18689 1 236 . 1 1 65 65 GLU H H 1 8.003 0.02 . 1 . . . . 280 GLU H . 18689 1 237 . 1 1 65 65 GLU CA C 13 59.156 0.3 . 1 . . . . 280 GLU CA . 18689 1 238 . 1 1 65 65 GLU CB C 13 29.842 0.3 . 1 . . . . 280 GLU CB . 18689 1 239 . 1 1 65 65 GLU N N 15 119.533 0.3 . 1 . . . . 280 GLU N . 18689 1 240 . 1 1 66 66 LEU H H 1 8.07 0.02 . 1 . . . . 281 LEU H . 18689 1 241 . 1 1 66 66 LEU CA C 13 57.368 0.3 . 1 . . . . 281 LEU CA . 18689 1 242 . 1 1 66 66 LEU CB C 13 41.871 0.3 . 1 . . . . 281 LEU CB . 18689 1 243 . 1 1 66 66 LEU N N 15 119.33 0.3 . 1 . . . . 281 LEU N . 18689 1 244 . 1 1 67 67 CYS H H 1 8.539 0.02 . 1 . . . . 282 CYS H . 18689 1 245 . 1 1 67 67 CYS CA C 13 65.55 0.3 . 1 . . . . 282 CYS CA . 18689 1 246 . 1 1 67 67 CYS CB C 13 28.596 0.3 . 1 . . . . 282 CYS CB . 18689 1 247 . 1 1 67 67 CYS N N 15 118.222 0.3 . 1 . . . . 282 CYS N . 18689 1 248 . 1 1 68 68 GLU H H 1 8.288 0.02 . 1 . . . . 283 GLU H . 18689 1 249 . 1 1 68 68 GLU CA C 13 60.239 0.3 . 1 . . . . 283 GLU CA . 18689 1 250 . 1 1 68 68 GLU CB C 13 29.083 0.3 . 1 . . . . 283 GLU CB . 18689 1 251 . 1 1 68 68 GLU N N 15 118.346 0.3 . 1 . . . . 283 GLU N . 18689 1 252 . 1 1 69 69 LYS H H 1 7.681 0.02 . 1 . . . . 284 LYS H . 18689 1 253 . 1 1 69 69 LYS CA C 13 58.072 0.3 . 1 . . . . 284 LYS CA . 18689 1 254 . 1 1 69 69 LYS N N 15 120.97 0.3 . 1 . . . . 284 LYS N . 18689 1 255 . 1 1 70 70 ALA H H 1 8.821 0.02 . 1 . . . . 285 ALA H . 18689 1 256 . 1 1 70 70 ALA CA C 13 54.984 0.3 . 1 . . . . 285 ALA CA . 18689 1 257 . 1 1 70 70 ALA CB C 13 18.626 0.3 . 1 . . . . 285 ALA CB . 18689 1 258 . 1 1 70 70 ALA N N 15 121.299 0.3 . 1 . . . . 285 ALA N . 18689 1 259 . 1 1 71 71 ILE H H 1 8.056 0.02 . 1 . . . . 286 ILE H . 18689 1 260 . 1 1 71 71 ILE CA C 13 66.146 0.3 . 1 . . . . 286 ILE CA . 18689 1 261 . 1 1 71 71 ILE CB C 13 38.511 0.3 . 1 . . . . 286 ILE CB . 18689 1 262 . 1 1 71 71 ILE N N 15 118.455 0.3 . 1 . . . . 286 ILE N . 18689 1 263 . 1 1 72 72 GLU H H 1 7.499 0.02 . 1 . . . . 287 GLU H . 18689 1 264 . 1 1 72 72 GLU CA C 13 59.914 0.3 . 1 . . . . 287 GLU CA . 18689 1 265 . 1 1 72 72 GLU CB C 13 29.625 0.3 . 1 . . . . 287 GLU CB . 18689 1 266 . 1 1 72 72 GLU N N 15 119.659 0.3 . 1 . . . . 287 GLU N . 18689 1 267 . 1 1 73 73 VAL H H 1 8.203 0.02 . 1 . . . . 288 VAL H . 18689 1 268 . 1 1 73 73 VAL CA C 13 66.35 0.3 . 1 . . . . 288 VAL CA . 18689 1 269 . 1 1 73 73 VAL CB C 13 32.389 0.3 . 1 . . . . 288 VAL CB . 18689 1 270 . 1 1 73 73 VAL N N 15 120.53 0.3 . 1 . . . . 288 VAL N . 18689 1 271 . 1 1 74 74 GLY H H 1 9.265 0.02 . 1 . . . . 289 GLY H . 18689 1 272 . 1 1 74 74 GLY CA C 13 48.048 0.3 . 1 . . . . 289 GLY CA . 18689 1 273 . 1 1 74 74 GLY N N 15 110.143 0.3 . 1 . . . . 289 GLY N . 18689 1 274 . 1 1 75 75 ARG H H 1 8.944 0.02 . 1 . . . . 290 ARG H . 18689 1 275 . 1 1 75 75 ARG CA C 13 59.271 0.3 . 1 . . . . 290 ARG CA . 18689 1 276 . 1 1 75 75 ARG CB C 13 29.625 0.3 . 1 . . . . 290 ARG CB . 18689 1 277 . 1 1 75 75 ARG N N 15 121.408 0.3 . 1 . . . . 290 ARG N . 18689 1 278 . 1 1 76 76 GLU H H 1 8.001 0.02 . 1 . . . . 291 GLU H . 18689 1 279 . 1 1 76 76 GLU CA C 13 59.102 0.3 . 1 . . . . 291 GLU CA . 18689 1 280 . 1 1 76 76 GLU CB C 13 29.733 0.3 . 1 . . . . 291 GLU CB . 18689 1 281 . 1 1 76 76 GLU N N 15 119.987 0.3 . 1 . . . . 291 GLU N . 18689 1 282 . 1 1 77 77 ASN H H 1 7.728 0.02 . 1 . . . . 292 ASN H . 18689 1 283 . 1 1 77 77 ASN CA C 13 53.683 0.3 . 1 . . . . 292 ASN CA . 18689 1 284 . 1 1 77 77 ASN CB C 13 39.703 0.3 . 1 . . . . 292 ASN CB . 18689 1 285 . 1 1 77 77 ASN N N 15 114.08 0.3 . 1 . . . . 292 ASN N . 18689 1 286 . 1 1 78 78 ARG H H 1 7.844 0.02 . 1 . . . . 293 ARG H . 18689 1 287 . 1 1 78 78 ARG CA C 13 57.097 0.3 . 1 . . . . 293 ARG CA . 18689 1 288 . 1 1 78 78 ARG CB C 13 26.645 0.3 . 1 . . . . 293 ARG CB . 18689 1 289 . 1 1 78 78 ARG N N 15 116.924 0.3 . 1 . . . . 293 ARG N . 18689 1 290 . 1 1 79 79 GLU H H 1 8.534 0.02 . 1 . . . . 294 GLU H . 18689 1 291 . 1 1 79 79 GLU CA C 13 56.013 0.3 . 1 . . . . 294 GLU CA . 18689 1 292 . 1 1 79 79 GLU CB C 13 30.871 0.3 . 1 . . . . 294 GLU CB . 18689 1 293 . 1 1 79 79 GLU N N 15 118.783 0.3 . 1 . . . . 294 GLU N . 18689 1 294 . 1 1 80 80 ASP H H 1 8.719 0.02 . 1 . . . . 295 ASP H . 18689 1 295 . 1 1 80 80 ASP CA C 13 55.146 0.3 . 1 . . . . 295 ASP CA . 18689 1 296 . 1 1 80 80 ASP CB C 13 42.792 0.3 . 1 . . . . 295 ASP CB . 18689 1 297 . 1 1 80 80 ASP N N 15 122.83 0.3 . 1 . . . . 295 ASP N . 18689 1 298 . 1 1 81 81 TYR H H 1 8.065 0.02 . 1 . . . . 296 TYR H . 18689 1 299 . 1 1 81 81 TYR CA C 13 59.914 0.3 . 1 . . . . 296 TYR CA . 18689 1 300 . 1 1 81 81 TYR CB C 13 37.344 0.3 . 1 . . . . 296 TYR CB . 18689 1 301 . 1 1 81 81 TYR N N 15 126.553 0.3 . 1 . . . . 296 TYR N . 18689 1 302 . 1 1 82 82 ARG H H 1 8.117 0.02 . 1 . . . . 297 ARG H . 18689 1 303 . 1 1 82 82 ARG CA C 13 59.156 0.3 . 1 . . . . 297 ARG CA . 18689 1 304 . 1 1 82 82 ARG CB C 13 29.517 0.3 . 1 . . . . 297 ARG CB . 18689 1 305 . 1 1 82 82 ARG N N 15 121.19 0.3 . 1 . . . . 297 ARG N . 18689 1 306 . 1 1 83 83 GLN H H 1 7.788 0.02 . 1 . . . . 298 GLN H . 18689 1 307 . 1 1 83 83 GLN CA C 13 57.603 0.3 . 1 . . . . 298 GLN CA . 18689 1 308 . 1 1 83 83 GLN CB C 13 28.868 0.3 . 1 . . . . 298 GLN CB . 18689 1 309 . 1 1 83 83 GLN N N 15 117.037 0.3 . 1 . . . . 298 GLN N . 18689 1 310 . 1 1 84 84 ILE H H 1 7.223 0.02 . 1 . . . . 299 ILE H . 18689 1 311 . 1 1 84 84 ILE CA C 13 64.628 0.3 . 1 . . . . 299 ILE CA . 18689 1 312 . 1 1 84 84 ILE CB C 13 36.778 0.3 . 1 . . . . 299 ILE CB . 18689 1 313 . 1 1 84 84 ILE N N 15 121.846 0.3 . 1 . . . . 299 ILE N . 18689 1 314 . 1 1 85 85 ALA H H 1 8.575 0.02 . 1 . . . . 300 ALA H . 18689 1 315 . 1 1 85 85 ALA CA C 13 56.284 0.3 . 1 . . . . 300 ALA CA . 18689 1 316 . 1 1 85 85 ALA CB C 13 20.414 0.3 . 1 . . . . 300 ALA CB . 18689 1 317 . 1 1 85 85 ALA N N 15 120.424 0.3 . 1 . . . . 300 ALA N . 18689 1 318 . 1 1 86 86 LYS H H 1 7.578 0.02 . 1 . . . . 301 LYS H . 18689 1 319 . 1 1 86 86 LYS CA C 13 59.535 0.3 . 1 . . . . 301 LYS CA . 18689 1 320 . 1 1 86 86 LYS CB C 13 32.876 0.3 . 1 . . . . 301 LYS CB . 18689 1 321 . 1 1 86 86 LYS N N 15 120.315 0.3 . 1 . . . . 301 LYS N . 18689 1 322 . 1 1 87 87 ALA H H 1 7.571 0.02 . 1 . . . . 302 ALA H . 18689 1 323 . 1 1 87 87 ALA CA C 13 55.417 0.3 . 1 . . . . 302 ALA CA . 18689 1 324 . 1 1 87 87 ALA CB C 13 17.867 0.3 . 1 . . . . 302 ALA CB . 18689 1 325 . 1 1 87 87 ALA N N 15 124.362 0.3 . 1 . . . . 302 ALA N . 18689 1 326 . 1 1 88 88 TYR H H 1 7.892 0.02 . 1 . . . . 303 TYR H . 18689 1 327 . 1 1 88 88 TYR CA C 13 61.594 0.3 . 1 . . . . 303 TYR CA . 18689 1 328 . 1 1 88 88 TYR CB C 13 38.566 0.3 . 1 . . . . 303 TYR CB . 18689 1 329 . 1 1 88 88 TYR N N 15 115.721 0.3 . 1 . . . . 303 TYR N . 18689 1 330 . 1 1 89 89 ALA H H 1 8.21 0.02 . 1 . . . . 304 ALA H . 18689 1 331 . 1 1 89 89 ALA CA C 13 56.013 0.3 . 1 . . . . 304 ALA CA . 18689 1 332 . 1 1 89 89 ALA CB C 13 18.138 0.3 . 1 . . . . 304 ALA CB . 18689 1 333 . 1 1 89 89 ALA N N 15 120.941 0.3 . 1 . . . . 304 ALA N . 18689 1 334 . 1 1 90 90 ARG H H 1 7.981 0.02 . 1 . . . . 305 ARG H . 18689 1 335 . 1 1 90 90 ARG CA C 13 59.264 0.3 . 1 . . . . 305 ARG CA . 18689 1 336 . 1 1 90 90 ARG CB C 13 27.945 0.3 . 1 . . . . 305 ARG CB . 18689 1 337 . 1 1 90 90 ARG N N 15 119.002 0.3 . 1 . . . . 305 ARG N . 18689 1 338 . 1 1 91 91 ILE H H 1 7.828 0.02 . 1 . . . . 306 ILE H . 18689 1 339 . 1 1 91 91 ILE CA C 13 66.471 0.3 . 1 . . . . 306 ILE CA . 18689 1 340 . 1 1 91 91 ILE CB C 13 37.807 0.3 . 1 . . . . 306 ILE CB . 18689 1 341 . 1 1 91 91 ILE N N 15 120.736 0.3 . 1 . . . . 306 ILE N . 18689 1 342 . 1 1 92 92 GLY H H 1 8.65 0.02 . 1 . . . . 307 GLY H . 18689 1 343 . 1 1 92 92 GLY CA C 13 48.861 0.3 . 1 . . . . 307 GLY CA . 18689 1 344 . 1 1 92 92 GLY N N 15 108.83 0.3 . 1 . . . . 307 GLY N . 18689 1 345 . 1 1 93 93 ASN H H 1 9.409 0.02 . 1 . . . . 308 ASN H . 18689 1 346 . 1 1 93 93 ASN CA C 13 55.417 0.3 . 1 . . . . 308 ASN CA . 18689 1 347 . 1 1 93 93 ASN CB C 13 37.861 0.3 . 1 . . . . 308 ASN CB . 18689 1 348 . 1 1 93 93 ASN N N 15 120.205 0.3 . 1 . . . . 308 ASN N . 18689 1 349 . 1 1 94 94 SER H H 1 8.5 0.02 . 1 . . . . 309 SER H . 18689 1 350 . 1 1 94 94 SER N N 15 119.44 0.3 . 1 . . . . 309 SER N . 18689 1 351 . 1 1 95 95 TYR H H 1 7.347 0.02 . 1 . . . . 310 TYR H . 18689 1 352 . 1 1 95 95 TYR CA C 13 61.973 0.3 . 1 . . . . 310 TYR CA . 18689 1 353 . 1 1 95 95 TYR N N 15 121.082 0.3 . 1 . . . . 310 TYR N . 18689 1 354 . 1 1 96 96 PHE H H 1 9.033 0.02 . 1 . . . . 311 PHE H . 18689 1 355 . 1 1 96 96 PHE CA C 13 62.028 0.3 . 1 . . . . 311 PHE CA . 18689 1 356 . 1 1 96 96 PHE CB C 13 40.191 0.3 . 1 . . . . 311 PHE CB . 18689 1 357 . 1 1 96 96 PHE N N 15 123.705 0.3 . 1 . . . . 311 PHE N . 18689 1 358 . 1 1 97 97 LYS H H 1 8.186 0.02 . 1 . . . . 312 LYS H . 18689 1 359 . 1 1 97 97 LYS CA C 13 57.53 0.3 . 1 . . . . 312 LYS CA . 18689 1 360 . 1 1 97 97 LYS CB C 13 31.684 0.3 . 1 . . . . 312 LYS CB . 18689 1 361 . 1 1 97 97 LYS N N 15 119.002 0.3 . 1 . . . . 312 LYS N . 18689 1 362 . 1 1 98 98 GLU H H 1 6.806 0.02 . 1 . . . . 313 GLU H . 18689 1 363 . 1 1 98 98 GLU CA C 13 56.338 0.3 . 1 . . . . 313 GLU CA . 18689 1 364 . 1 1 98 98 GLU CB C 13 31.305 0.3 . 1 . . . . 313 GLU CB . 18689 1 365 . 1 1 98 98 GLU N N 15 115.612 0.3 . 1 . . . . 313 GLU N . 18689 1 366 . 1 1 99 99 GLU H H 1 7.646 0.02 . 1 . . . . 314 GLU H . 18689 1 367 . 1 1 99 99 GLU CA C 13 56.934 0.3 . 1 . . . . 314 GLU CA . 18689 1 368 . 1 1 99 99 GLU CB C 13 26.049 0.3 . 1 . . . . 314 GLU CB . 18689 1 369 . 1 1 99 99 GLU N N 15 112.658 0.3 . 1 . . . . 314 GLU N . 18689 1 370 . 1 1 100 100 LYS H H 1 7.762 0.02 . 1 . . . . 315 LYS H . 18689 1 371 . 1 1 100 100 LYS CA C 13 53.792 0.3 . 1 . . . . 315 LYS CA . 18689 1 372 . 1 1 100 100 LYS CB C 13 30.839 0.3 . 1 . . . . 315 LYS CB . 18689 1 373 . 1 1 100 100 LYS N N 15 121.518 0.3 . 1 . . . . 315 LYS N . 18689 1 374 . 1 1 101 101 TYR H H 1 6.799 0.02 . 1 . . . . 316 TYR H . 18689 1 375 . 1 1 101 101 TYR CA C 13 62.624 0.3 . 1 . . . . 316 TYR CA . 18689 1 376 . 1 1 101 101 TYR CB C 13 38.403 0.3 . 1 . . . . 316 TYR CB . 18689 1 377 . 1 1 101 101 TYR N N 15 117.799 0.3 . 1 . . . . 316 TYR N . 18689 1 378 . 1 1 102 102 LYS H H 1 8.787 0.02 . 1 . . . . 317 LYS H . 18689 1 379 . 1 1 102 102 LYS CA C 13 60.348 0.3 . 1 . . . . 317 LYS CA . 18689 1 380 . 1 1 102 102 LYS CB C 13 31.793 0.3 . 1 . . . . 317 LYS CB . 18689 1 381 . 1 1 102 102 LYS N N 15 119.658 0.3 . 1 . . . . 317 LYS N . 18689 1 382 . 1 1 103 103 ASP H H 1 7.53 0.02 . 1 . . . . 318 ASP H . 18689 1 383 . 1 1 103 103 ASP CA C 13 57.151 0.3 . 1 . . . . 318 ASP CA . 18689 1 384 . 1 1 103 103 ASP CB C 13 39.487 0.3 . 1 . . . . 318 ASP CB . 18689 1 385 . 1 1 103 103 ASP N N 15 119.658 0.3 . 1 . . . . 318 ASP N . 18689 1 386 . 1 1 104 104 ALA H H 1 8.05 0.02 . 1 . . . . 319 ALA H . 18689 1 387 . 1 1 104 104 ALA CB C 13 17.921 0.3 . 1 . . . . 319 ALA CB . 18689 1 388 . 1 1 104 104 ALA N N 15 120.522 0.3 . 1 . . . . 319 ALA N . 18689 1 389 . 1 1 105 105 ILE H H 1 8.35 0.02 . 1 . . . . 320 ILE H . 18689 1 390 . 1 1 105 105 ILE CA C 13 65.766 0.3 . 1 . . . . 320 ILE CA . 18689 1 391 . 1 1 105 105 ILE CB C 13 39.541 0.3 . 1 . . . . 320 ILE CB . 18689 1 392 . 1 1 105 105 ILE N N 15 117.033 0.3 . 1 . . . . 320 ILE N . 18689 1 393 . 1 1 106 106 HIS H H 1 7.656 0.02 . 1 . . . . 321 HIS H . 18689 1 394 . 1 1 106 106 HIS CA C 13 59.969 0.3 . 1 . . . . 321 HIS CA . 18689 1 395 . 1 1 106 106 HIS CB C 13 29.759 0.3 . 1 . . . . 321 HIS CB . 18689 1 396 . 1 1 106 106 HIS N N 15 118.795 0.3 . 1 . . . . 321 HIS N . 18689 1 397 . 1 1 107 107 PHE H H 1 7.742 0.02 . 1 . . . . 322 PHE H . 18689 1 398 . 1 1 107 107 PHE CA C 13 63.816 0.3 . 1 . . . . 322 PHE CA . 18689 1 399 . 1 1 107 107 PHE CB C 13 38.782 0.3 . 1 . . . . 322 PHE CB . 18689 1 400 . 1 1 107 107 PHE N N 15 116.049 0.3 . 1 . . . . 322 PHE N . 18689 1 401 . 1 1 108 108 TYR H H 1 9.614 0.02 . 1 . . . . 323 TYR H . 18689 1 402 . 1 1 108 108 TYR CA C 13 58.668 0.3 . 1 . . . . 323 TYR CA . 18689 1 403 . 1 1 108 108 TYR CB C 13 36.181 0.3 . 1 . . . . 323 TYR CB . 18689 1 404 . 1 1 108 108 TYR N N 15 122.393 0.3 . 1 . . . . 323 TYR N . 18689 1 405 . 1 1 109 109 ASN H H 1 8.937 0.02 . 1 . . . . 324 ASN H . 18689 1 406 . 1 1 109 109 ASN CA C 13 56.663 0.3 . 1 . . . . 324 ASN CA . 18689 1 407 . 1 1 109 109 ASN CB C 13 37.482 0.3 . 1 . . . . 324 ASN CB . 18689 1 408 . 1 1 109 109 ASN N N 15 118.674 0.3 . 1 . . . . 324 ASN N . 18689 1 409 . 1 1 110 110 LYS H H 1 7.332 0.02 . 1 . . . . 325 LYS H . 18689 1 410 . 1 1 110 110 LYS CA C 13 59.21 0.3 . 1 . . . . 325 LYS CA . 18689 1 411 . 1 1 110 110 LYS CB C 13 30.46 0.3 . 1 . . . . 325 LYS CB . 18689 1 412 . 1 1 110 110 LYS N N 15 121.299 0.3 . 1 . . . . 325 LYS N . 18689 1 413 . 1 1 111 111 SER H H 1 8.035 0.02 . 1 . . . . 326 SER H . 18689 1 414 . 1 1 111 111 SER CA C 13 62.407 0.3 . 1 . . . . 326 SER CA . 18689 1 415 . 1 1 111 111 SER N N 15 112.112 0.3 . 1 . . . . 326 SER N . 18689 1 416 . 1 1 112 112 LEU H H 1 8.76 0.02 . 1 . . . . 327 LEU H . 18689 1 417 . 1 1 112 112 LEU CA C 13 56.934 0.3 . 1 . . . . 327 LEU CA . 18689 1 418 . 1 1 112 112 LEU CB C 13 42.359 0.3 . 1 . . . . 327 LEU CB . 18689 1 419 . 1 1 112 112 LEU N N 15 117.799 0.3 . 1 . . . . 327 LEU N . 18689 1 420 . 1 1 113 113 ALA H H 1 7.673 0.02 . 1 . . . . 328 ALA H . 18689 1 421 . 1 1 113 113 ALA CA C 13 54.008 0.3 . 1 . . . . 328 ALA CA . 18689 1 422 . 1 1 113 113 ALA CB C 13 18.138 0.3 . 1 . . . . 328 ALA CB . 18689 1 423 . 1 1 113 113 ALA N N 15 119.002 0.3 . 1 . . . . 328 ALA N . 18689 1 424 . 1 1 114 114 GLU H H 1 7.304 0.02 . 1 . . . . 329 GLU H . 18689 1 425 . 1 1 114 114 GLU CA C 13 57.584 0.3 . 1 . . . . 329 GLU CA . 18689 1 426 . 1 1 114 114 GLU CB C 13 30.275 0.3 . 1 . . . . 329 GLU CB . 18689 1 427 . 1 1 114 114 GLU N N 15 116.815 0.3 . 1 . . . . 329 GLU N . 18689 1 428 . 1 1 115 115 HIS H H 1 8.418 0.02 . 1 . . . . 330 HIS H . 18689 1 429 . 1 1 115 115 HIS CA C 13 55.688 0.3 . 1 . . . . 330 HIS CA . 18689 1 430 . 1 1 115 115 HIS CB C 13 33.635 0.3 . 1 . . . . 330 HIS CB . 18689 1 431 . 1 1 115 115 HIS N N 15 117.033 0.3 . 1 . . . . 330 HIS N . 18689 1 432 . 1 1 116 116 ARG H H 1 8.889 0.02 . 1 . . . . 331 ARG H . 18689 1 433 . 1 1 116 116 ARG CA C 13 57.855 0.3 . 1 . . . . 331 ARG CA . 18689 1 434 . 1 1 116 116 ARG CB C 13 29.625 0.3 . 1 . . . . 331 ARG CB . 18689 1 435 . 1 1 116 116 ARG N N 15 130.815 0.3 . 1 . . . . 331 ARG N . 18689 1 436 . 1 1 117 117 THR H H 1 6.573 0.02 . 1 . . . . 332 THR H . 18689 1 437 . 1 1 117 117 THR CA C 13 57.584 0.3 . 1 . . . . 332 THR CA . 18689 1 438 . 1 1 117 117 THR CB C 13 70.48 0.3 . 1 . . . . 332 THR CB . 18689 1 439 . 1 1 117 117 THR N N 15 113.752 0.3 . 1 . . . . 332 THR N . 18689 1 440 . 1 1 118 118 PRO CA C 13 64.628 0.3 . 1 . . . . 333 PRO CA . 18689 1 441 . 1 1 118 118 PRO CB C 13 31.63 0.3 . 1 . . . . 333 PRO CB . 18689 1 442 . 1 1 119 119 ASP H H 1 8.705 0.02 . 1 . . . . 334 ASP H . 18689 1 443 . 1 1 119 119 ASP CA C 13 56.772 0.3 . 1 . . . . 334 ASP CA . 18689 1 444 . 1 1 119 119 ASP CB C 13 40.029 0.3 . 1 . . . . 334 ASP CB . 18689 1 445 . 1 1 119 119 ASP N N 15 115.94 0.3 . 1 . . . . 334 ASP N . 18689 1 446 . 1 1 120 120 VAL H H 1 7.045 0.02 . 1 . . . . 335 VAL H . 18689 1 447 . 1 1 120 120 VAL CA C 13 66.037 0.3 . 1 . . . . 335 VAL CA . 18689 1 448 . 1 1 120 120 VAL CB C 13 31.088 0.3 . 1 . . . . 335 VAL CB . 18689 1 449 . 1 1 120 120 VAL N N 15 119.768 0.3 . 1 . . . . 335 VAL N . 18689 1 450 . 1 1 121 121 LEU H H 1 7.529 0.02 . 1 . . . . 336 LEU H . 18689 1 451 . 1 1 121 121 LEU CA C 13 58.56 0.3 . 1 . . . . 336 LEU CA . 18689 1 452 . 1 1 121 121 LEU CB C 13 41.763 0.3 . 1 . . . . 336 LEU CB . 18689 1 453 . 1 1 121 121 LEU N N 15 121.541 0.3 . 1 . . . . 336 LEU N . 18689 1 454 . 1 1 122 122 LYS H H 1 7.776 0.02 . 1 . . . . 337 LYS H . 18689 1 455 . 1 1 122 122 LYS CA C 13 59.156 0.3 . 1 . . . . 337 LYS CA . 18689 1 456 . 1 1 122 122 LYS CB C 13 32.226 0.3 . 1 . . . . 337 LYS CB . 18689 1 457 . 1 1 122 122 LYS N N 15 117.362 0.3 . 1 . . . . 337 LYS N . 18689 1 458 . 1 1 123 123 LYS H H 1 7.366 0.02 . 1 . . . . 338 LYS H . 18689 1 459 . 1 1 123 123 LYS CA C 13 58.289 0.3 . 1 . . . . 338 LYS CA . 18689 1 460 . 1 1 123 123 LYS CB C 13 31.738 0.3 . 1 . . . . 338 LYS CB . 18689 1 461 . 1 1 123 123 LYS N N 15 120.096 0.3 . 1 . . . . 338 LYS N . 18689 1 462 . 1 1 124 124 CYS H H 1 8.288 0.02 . 1 . . . . 339 CYS H . 18689 1 463 . 1 1 124 124 CYS CA C 13 63.165 0.3 . 1 . . . . 339 CYS CA . 18689 1 464 . 1 1 124 124 CYS CB C 13 26.374 0.3 . 1 . . . . 339 CYS CB . 18689 1 465 . 1 1 124 124 CYS N N 15 119.768 0.3 . 1 . . . . 339 CYS N . 18689 1 466 . 1 1 125 125 GLN H H 1 8.302 0.02 . 1 . . . . 340 GLN H . 18689 1 467 . 1 1 125 125 GLN CA C 13 58.885 0.3 . 1 . . . . 340 GLN CA . 18689 1 468 . 1 1 125 125 GLN CB C 13 28.054 0.3 . 1 . . . . 340 GLN CB . 18689 1 469 . 1 1 125 125 GLN N N 15 117.471 0.3 . 1 . . . . 340 GLN N . 18689 1 470 . 1 1 126 126 GLN H H 1 8.234 0.02 . 1 . . . . 341 GLN H . 18689 1 471 . 1 1 126 126 GLN CA C 13 59.047 0.3 . 1 . . . . 341 GLN CA . 18689 1 472 . 1 1 126 126 GLN CB C 13 28.216 0.3 . 1 . . . . 341 GLN CB . 18689 1 473 . 1 1 126 126 GLN N N 15 120.862 0.3 . 1 . . . . 341 GLN N . 18689 1 474 . 1 1 127 127 ALA H H 1 8.541 0.02 . 1 . . . . 342 ALA H . 18689 1 475 . 1 1 127 127 ALA CA C 13 55.525 0.3 . 1 . . . . 342 ALA CA . 18689 1 476 . 1 1 127 127 ALA CB C 13 18.734 0.3 . 1 . . . . 342 ALA CB . 18689 1 477 . 1 1 127 127 ALA N N 15 121.627 0.3 . 1 . . . . 342 ALA N . 18689 1 478 . 1 1 128 128 GLU H H 1 8.575 0.02 . 1 . . . . 343 GLU H . 18689 1 479 . 1 1 128 128 GLU CA C 13 59.698 0.3 . 1 . . . . 343 GLU CA . 18689 1 480 . 1 1 128 128 GLU CB C 13 30.113 0.3 . 1 . . . . 343 GLU CB . 18689 1 481 . 1 1 128 128 GLU N N 15 116.924 0.3 . 1 . . . . 343 GLU N . 18689 1 482 . 1 1 129 129 LYS H H 1 7.905 0.02 . 1 . . . . 344 LYS H . 18689 1 483 . 1 1 129 129 LYS CB C 13 32.605 0.3 . 1 . . . . 344 LYS CB . 18689 1 484 . 1 1 129 129 LYS N N 15 120.428 0.3 . 1 . . . . 344 LYS N . 18689 1 485 . 1 1 130 130 ILE H H 1 7.824 0.02 . 1 . . . . 345 ILE H . 18689 1 486 . 1 1 130 130 ILE CA C 13 64.899 0.3 . 1 . . . . 345 ILE CA . 18689 1 487 . 1 1 130 130 ILE CB C 13 38.078 0.3 . 1 . . . . 345 ILE CB . 18689 1 488 . 1 1 130 130 ILE N N 15 120.205 0.3 . 1 . . . . 345 ILE N . 18689 1 489 . 1 1 131 131 LEU H H 1 7.878 0.02 . 1 . . . . 346 LEU H . 18689 1 490 . 1 1 131 131 LEU CA C 13 57.855 0.3 . 1 . . . . 346 LEU CA . 18689 1 491 . 1 1 131 131 LEU CB C 13 42.088 0.3 . 1 . . . . 346 LEU CB . 18689 1 492 . 1 1 131 131 LEU N N 15 119.768 0.3 . 1 . . . . 346 LEU N . 18689 1 493 . 1 1 132 132 LYS H H 1 7.899 0.02 . 1 . . . . 347 LYS H . 18689 1 494 . 1 1 132 132 LYS CA C 13 58.614 0.3 . 1 . . . . 347 LYS CA . 18689 1 495 . 1 1 132 132 LYS CB C 13 32.226 0.3 . 1 . . . . 347 LYS CB . 18689 1 496 . 1 1 132 132 LYS N N 15 118.018 0.3 . 1 . . . . 347 LYS N . 18689 1 497 . 1 1 133 133 GLU H H 1 7.869 0.02 . 1 . . . . 348 GLU H . 18689 1 498 . 1 1 133 133 GLU CA C 13 58.397 0.3 . 1 . . . . 348 GLU CA . 18689 1 499 . 1 1 133 133 GLU CB C 13 29.571 0.3 . 1 . . . . 348 GLU CB . 18689 1 500 . 1 1 133 133 GLU N N 15 118.459 0.3 . 1 . . . . 348 GLU N . 18689 1 501 . 1 1 134 134 GLN H H 1 8.008 0.02 . 1 . . . . 349 GLN H . 18689 1 502 . 1 1 134 134 GLN CA C 13 57.476 0.3 . 1 . . . . 349 GLN CA . 18689 1 503 . 1 1 134 134 GLN CB C 13 29.029 0.3 . 1 . . . . 349 GLN CB . 18689 1 504 . 1 1 134 134 GLN N N 15 117.908 0.3 . 1 . . . . 349 GLN N . 18689 1 505 . 1 1 135 135 GLU H H 1 7.885 0.02 . 1 . . . . 350 GLU H . 18689 1 506 . 1 1 135 135 GLU CA C 13 57.205 0.3 . 1 . . . . 350 GLU CA . 18689 1 507 . 1 1 135 135 GLU CB C 13 29.95 0.3 . 1 . . . . 350 GLU CB . 18689 1 508 . 1 1 135 135 GLU N N 15 118.893 0.3 . 1 . . . . 350 GLU N . 18689 1 509 . 1 1 136 136 ARG H H 1 7.858 0.02 . 1 . . . . 351 ARG H . 18689 1 510 . 1 1 136 136 ARG CA C 13 56.121 0.3 . 1 . . . . 351 ARG CA . 18689 1 511 . 1 1 136 136 ARG CB C 13 30.438 0.3 . 1 . . . . 351 ARG CB . 18689 1 512 . 1 1 136 136 ARG N N 15 120.424 0.3 . 1 . . . . 351 ARG N . 18689 1 513 . 1 1 137 137 LEU H H 1 7.762 0.02 . 1 . . . . 352 LEU H . 18689 1 514 . 1 1 137 137 LEU CA C 13 56.609 0.3 . 1 . . . . 352 LEU CA . 18689 1 515 . 1 1 137 137 LEU CB C 13 43.334 0.3 . 1 . . . . 352 LEU CB . 18689 1 516 . 1 1 137 137 LEU N N 15 128.627 0.3 . 1 . . . . 352 LEU N . 18689 1 stop_ save_