################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7162 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7162 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 7 7 GLY H H 1 8.22 0.01 . 1 . . . . 242 GLY HN . 7162 1 2 . 1 1 7 7 GLY N N 15 109.1 0.25 . 1 . . . . 242 GLY N . 7162 1 3 . 1 1 11 11 HIS H H 1 8.27 0.01 . 1 . . . . 246 HIS HN . 7162 1 4 . 1 1 11 11 HIS N N 15 115.3 0.25 . 1 . . . . 246 HIS N . 7162 1 5 . 1 1 13 13 THR H H 1 7.11 0.01 . 1 . . . . 248 THR HN . 7162 1 6 . 1 1 13 13 THR N N 15 125.0 0.25 . 1 . . . . 248 THR N . 7162 1 7 . 1 1 15 15 ASP H H 1 7.94 0.01 . 1 . . . . 250 ASP HN . 7162 1 8 . 1 1 15 15 ASP N N 15 114.9 0.25 . 1 . . . . 250 ASP N . 7162 1 9 . 1 1 16 16 ASN H H 1 7.51 0.01 . 1 . . . . 251 ASN HN . 7162 1 10 . 1 1 16 16 ASN N N 15 115.7 0.25 . 1 . . . . 251 ASN N . 7162 1 11 . 1 1 17 17 LYS H H 1 7.66 0.01 . 1 . . . . 252 LYS HN . 7162 1 12 . 1 1 17 17 LYS N N 15 119.8 0.25 . 1 . . . . 252 LYS N . 7162 1 13 . 1 1 18 18 ASP H H 1 8.45 0.01 . 1 . . . . 253 ASP HN . 7162 1 14 . 1 1 18 18 ASP N N 15 118.1 0.25 . 1 . . . . 253 ASP N . 7162 1 15 . 1 1 19 19 LEU H H 1 7.65 0.01 . 1 . . . . 254 LEU HN . 7162 1 16 . 1 1 19 19 LEU N N 15 118.7 0.25 . 1 . . . . 254 LEU N . 7162 1 17 . 1 1 20 20 ILE H H 1 7.43 0.01 . 1 . . . . 255 ILE HN . 7162 1 18 . 1 1 20 20 ILE N N 15 117.8 0.25 . 1 . . . . 255 ILE N . 7162 1 19 . 1 1 21 21 GLN H H 1 7.77 0.01 . 1 . . . . 256 GLN HN . 7162 1 20 . 1 1 21 21 GLN N N 15 116.7 0.25 . 1 . . . . 256 GLN N . 7162 1 21 . 1 1 22 22 GLY H H 1 8.30 0.01 . 1 . . . . 257 GLY HN . 7162 1 22 . 1 1 22 22 GLY N N 15 107.8 0.25 . 1 . . . . 257 GLY N . 7162 1 23 . 1 1 23 23 LYS H H 1 7.22 0.01 . 1 . . . . 258 LYS HN . 7162 1 24 . 1 1 23 23 LYS N N 15 118.1 0.25 . 1 . . . . 258 LYS N . 7162 1 25 . 1 1 24 24 ASP H H 1 8.38 0.01 . 1 . . . . 259 ASP HN . 7162 1 26 . 1 1 24 24 ASP N N 15 120.6 0.25 . 1 . . . . 259 ASP N . 7162 1 27 . 1 1 25 25 LEU H H 1 8.35 0.01 . 1 . . . . 260 LEU HN . 7162 1 28 . 1 1 25 25 LEU N N 15 127.2 0.25 . 1 . . . . 260 LEU N . 7162 1 29 . 1 1 26 26 LEU H H 1 8.62 0.01 . 1 . . . . 261 LEU HN . 7162 1 30 . 1 1 26 26 LEU N N 15 129.4 0.25 . 1 . . . . 261 LEU N . 7162 1 31 . 1 1 27 27 ILE H H 1 8.99 0.01 . 1 . . . . 262 ILE HN . 7162 1 32 . 1 1 27 27 ILE N N 15 125.2 0.25 . 1 . . . . 262 ILE N . 7162 1 33 . 1 1 28 28 ALA H H 1 7.87 0.01 . 1 . . . . 263 ALA HN . 7162 1 34 . 1 1 28 28 ALA N N 15 126.7 0.25 . 1 . . . . 263 ALA N . 7162 1 35 . 1 1 29 29 TYR H H 1 9.23 0.01 . 1 . . . . 264 TYR HN . 7162 1 36 . 1 1 29 29 TYR N N 15 121.0 0.25 . 1 . . . . 264 TYR N . 7162 1 37 . 1 1 30 30 TYR H H 1 8.37 0.01 . 1 . . . . 265 TYR HN . 7162 1 38 . 1 1 30 30 TYR N N 15 117.9 0.25 . 1 . . . . 265 TYR N . 7162 1 39 . 1 1 31 31 ASP H H 1 8.99 0.01 . 1 . . . . 266 ASP HN . 7162 1 40 . 1 1 31 31 ASP N N 15 123.7 0.25 . 1 . . . . 266 ASP N . 7162 1 41 . 1 1 32 32 VAL H H 1 8.17 0.01 . 1 . . . . 267 VAL HN . 7162 1 42 . 1 1 32 32 VAL N N 15 125.7 0.25 . 1 . . . . 267 VAL N . 7162 1 43 . 1 1 33 33 ASP H H 1 8.33 0.01 . 1 . . . . 268 ASP HN . 7162 1 44 . 1 1 33 33 ASP N N 15 127.7 0.25 . 1 . . . . 268 ASP N . 7162 1 45 . 1 1 34 34 TYR H H 1 9.34 0.01 . 1 . . . . 269 TYR HN . 7162 1 46 . 1 1 34 34 TYR N N 15 118.6 0.25 . 1 . . . . 269 TYR N . 7162 1 47 . 1 1 35 35 GLU H H 1 8.18 0.01 . 1 . . . . 270 GLU HN . 7162 1 48 . 1 1 35 35 GLU N N 15 119.7 0.25 . 1 . . . . 270 GLU N . 7162 1 49 . 1 1 36 36 LYS H H 1 7.96 0.01 . 1 . . . . 271 LYS HN . 7162 1 50 . 1 1 36 36 LYS N N 15 117.1 0.25 . 1 . . . . 271 LYS N . 7162 1 51 . 1 1 37 37 ASN H H 1 7.76 0.01 . 1 . . . . 272 ASN HN . 7162 1 52 . 1 1 37 37 ASN N N 15 115.3 0.25 . 1 . . . . 272 ASN N . 7162 1 53 . 1 1 38 38 ALA H H 1 9.07 0.01 . 1 . . . . 273 ALA HN . 7162 1 54 . 1 1 38 38 ALA N N 15 113.5 0.25 . 1 . . . . 273 ALA N . 7162 1 55 . 1 1 40 40 GLY H H 1 7.92 0.01 . 1 . . . . 275 GLY HN . 7162 1 56 . 1 1 40 40 GLY N N 15 116.5 0.25 . 1 . . . . 275 GLY N . 7162 1 57 . 1 1 41 41 SER H H 1 8.14 0.01 . 1 . . . . 276 SER HN . 7162 1 58 . 1 1 41 41 SER N N 15 108.5 0.25 . 1 . . . . 276 SER N . 7162 1 59 . 1 1 44 44 TRP HE1 H 1 10.08 0.01 . 1 . . . . 279 TRP HE1 . 7162 1 60 . 1 1 44 44 TRP NE1 N 15 129.3 0.25 . 1 . . . . 279 TRP NE1 . 7162 1 61 . 1 1 45 45 ARG H H 1 7.66 0.01 . 1 . . . . 280 ARG HN . 7162 1 62 . 1 1 45 45 ARG N N 15 124.9 0.25 . 1 . . . . 280 ARG N . 7162 1 63 . 1 1 46 46 ASN H H 1 8.48 0.01 . 1 . . . . 281 ASN HN . 7162 1 64 . 1 1 46 46 ASN N N 15 116.2 0.25 . 1 . . . . 281 ASN N . 7162 1 65 . 1 1 47 47 ARG H H 1 7.37 0.01 . 1 . . . . 282 ARG HN . 7162 1 66 . 1 1 47 47 ARG N N 15 119.2 0.25 . 1 . . . . 282 ARG N . 7162 1 67 . 1 1 48 48 VAL H H 1 7.96 0.01 . 1 . . . . 283 VAL HN . 7162 1 68 . 1 1 48 48 VAL N N 15 117.8 0.25 . 1 . . . . 283 VAL N . 7162 1 69 . 1 1 49 49 MET H H 1 8.44 0.01 . 1 . . . . 284 MET HN . 7162 1 70 . 1 1 49 49 MET N N 15 116.9 0.25 . 1 . . . . 284 MET N . 7162 1 71 . 1 1 50 50 MET H H 1 7.99 0.01 . 1 . . . . 285 MET HN . 7162 1 72 . 1 1 50 50 MET N N 15 117.9 0.25 . 1 . . . . 285 MET N . 7162 1 73 . 1 1 51 51 VAL H H 1 7.24 0.01 . 1 . . . . 286 VAL HN . 7162 1 74 . 1 1 51 51 VAL N N 15 119.6 0.25 . 1 . . . . 286 VAL N . 7162 1 75 . 1 1 52 52 ALA H H 1 8.50 0.01 . 1 . . . . 287 ALA HN . 7162 1 76 . 1 1 52 52 ALA N N 15 121.0 0.25 . 1 . . . . 287 ALA N . 7162 1 77 . 1 1 53 53 LYS H H 1 8.00 0.01 . 1 . . . . 288 LYS HN . 7162 1 78 . 1 1 53 53 LYS N N 15 115.3 0.25 . 1 . . . . 288 LYS N . 7162 1 79 . 1 1 54 54 LYS H H 1 7.17 0.01 . 1 . . . . 289 LYS HN . 7162 1 80 . 1 1 54 54 LYS N N 15 116.3 0.25 . 1 . . . . 289 LYS N . 7162 1 81 . 1 1 55 55 PHE H H 1 7.50 0.01 . 1 . . . . 290 PHE HN . 7162 1 82 . 1 1 55 55 PHE N N 15 116.7 0.25 . 1 . . . . 290 PHE N . 7162 1 83 . 1 1 56 56 LEU H H 1 8.78 0.01 . 1 . . . . 291 LEU HN . 7162 1 84 . 1 1 56 56 LEU N N 15 122.6 0.25 . 1 . . . . 291 LEU N . 7162 1 85 . 1 1 57 57 ASP H H 1 8.88 0.01 . 1 . . . . 292 ASP HN . 7162 1 86 . 1 1 57 57 ASP N N 15 121.4 0.25 . 1 . . . . 292 ASP N . 7162 1 87 . 1 1 58 58 ALA H H 1 7.01 0.01 . 1 . . . . 293 ALA HN . 7162 1 88 . 1 1 58 58 ALA N N 15 119.6 0.25 . 1 . . . . 293 ALA N . 7162 1 89 . 1 1 59 59 GLY H H 1 7.64 0.01 . 1 . . . . 294 GLY HN . 7162 1 90 . 1 1 59 59 GLY N N 15 105.1 0.25 . 1 . . . . 294 GLY N . 7162 1 91 . 1 1 60 60 HIS H H 1 7.37 0.01 . 1 . . . . 295 HIS HN . 7162 1 92 . 1 1 60 60 HIS N N 15 119.3 0.25 . 1 . . . . 295 HIS N . 7162 1 93 . 1 1 61 61 LYS H H 1 8.62 0.01 . 1 . . . . 296 LYS HN . 7162 1 94 . 1 1 61 61 LYS N N 15 120.8 0.25 . 1 . . . . 296 LYS N . 7162 1 95 . 1 1 62 62 LEU H H 1 7.39 0.01 . 1 . . . . 297 LEU HN . 7162 1 96 . 1 1 62 62 LEU N N 15 124.2 0.25 . 1 . . . . 297 LEU N . 7162 1 97 . 1 1 63 63 ASN H H 1 7.28 0.01 . 1 . . . . 298 ASN HN . 7162 1 98 . 1 1 63 63 ASN N N 15 120.6 0.25 . 1 . . . . 298 ASN N . 7162 1 99 . 1 1 64 64 PHE H H 1 8.61 0.01 . 1 . . . . 299 PHE HN . 7162 1 100 . 1 1 64 64 PHE N N 15 118.8 0.25 . 1 . . . . 299 PHE N . 7162 1 101 . 1 1 65 65 ALA H H 1 8.71 0.01 . 1 . . . . 300 ALA HN . 7162 1 102 . 1 1 65 65 ALA N N 15 120.9 0.25 . 1 . . . . 300 ALA N . 7162 1 103 . 1 1 66 66 VAL H H 1 7.96 0.01 . 1 . . . . 301 VAL HN . 7162 1 104 . 1 1 66 66 VAL N N 15 109.3 0.25 . 1 . . . . 301 VAL N . 7162 1 105 . 1 1 67 67 ALA H H 1 8.42 0.01 . 1 . . . . 302 ALA HN . 7162 1 106 . 1 1 67 67 ALA N N 15 122.5 0.25 . 1 . . . . 302 ALA N . 7162 1 107 . 1 1 68 68 SER H H 1 7.60 0.01 . 1 . . . . 303 SER HN . 7162 1 108 . 1 1 68 68 SER N N 15 114.9 0.25 . 1 . . . . 303 SER N . 7162 1 109 . 1 1 69 69 ARG H H 1 8.20 0.01 . 1 . . . . 304 ARG HN . 7162 1 110 . 1 1 69 69 ARG N N 15 119.0 0.25 . 1 . . . . 304 ARG N . 7162 1 111 . 1 1 72 72 PHE H H 1 7.61 0.01 . 1 . . . . 307 PHE HN . 7162 1 112 . 1 1 72 72 PHE N N 15 115.9 0.25 . 1 . . . . 307 PHE N . 7162 1 113 . 1 1 73 73 SER H H 1 7.21 0.01 . 1 . . . . 308 SER HN . 7162 1 114 . 1 1 73 73 SER N N 15 115.9 0.25 . 1 . . . . 308 SER N . 7162 1 115 . 1 1 74 74 HIS H H 1 7.87 0.01 . 1 . . . . 309 HIS HN . 7162 1 116 . 1 1 74 74 HIS N N 15 115.0 0.25 . 1 . . . . 309 HIS N . 7162 1 117 . 1 1 75 75 GLU H H 1 7.50 0.01 . 1 . . . . 310 GLU HN . 7162 1 118 . 1 1 75 75 GLU N N 15 120.1 0.25 . 1 . . . . 310 GLU N . 7162 1 119 . 1 1 76 76 LEU H H 1 7.23 0.01 . 1 . . . . 311 LEU HN . 7162 1 120 . 1 1 76 76 LEU N N 15 116.5 0.25 . 1 . . . . 311 LEU N . 7162 1 121 . 1 1 77 77 SER H H 1 7.74 0.01 . 1 . . . . 312 SER HN . 7162 1 122 . 1 1 77 77 SER N N 15 114.2 0.25 . 1 . . . . 312 SER N . 7162 1 123 . 1 1 78 78 ASP H H 1 7.61 0.01 . 1 . . . . 313 ASP HN . 7162 1 124 . 1 1 78 78 ASP N N 15 122.9 0.25 . 1 . . . . 313 ASP N . 7162 1 125 . 1 1 79 79 PHE H H 1 7.17 0.01 . 1 . . . . 314 PHE HN . 7162 1 126 . 1 1 79 79 PHE N N 15 114.4 0.25 . 1 . . . . 314 PHE N . 7162 1 127 . 1 1 80 80 GLY H H 1 7.52 0.01 . 1 . . . . 315 GLY HN . 7162 1 128 . 1 1 80 80 GLY N N 15 106.6 0.25 . 1 . . . . 315 GLY N . 7162 1 129 . 1 1 81 81 LEU H H 1 7.53 0.01 . 1 . . . . 316 LEU HN . 7162 1 130 . 1 1 81 81 LEU N N 15 117.8 0.25 . 1 . . . . 316 LEU N . 7162 1 131 . 1 1 82 82 GLU H H 1 9.48 0.01 . 1 . . . . 317 GLU HN . 7162 1 132 . 1 1 82 82 GLU N N 15 122.8 0.25 . 1 . . . . 317 GLU N . 7162 1 133 . 1 1 83 83 SER H H 1 8.33 0.01 . 1 . . . . 318 SER HN . 7162 1 134 . 1 1 83 83 SER N N 15 115.4 0.25 . 1 . . . . 318 SER N . 7162 1 135 . 1 1 84 84 THR H H 1 7.42 0.01 . 1 . . . . 319 THR HN . 7162 1 136 . 1 1 84 84 THR N N 15 113.7 0.25 . 1 . . . . 319 THR N . 7162 1 137 . 1 1 85 85 ALA H H 1 8.23 0.01 . 1 . . . . 320 ALA HN . 7162 1 138 . 1 1 85 85 ALA N N 15 125.2 0.25 . 1 . . . . 320 ALA N . 7162 1 139 . 1 1 86 86 GLY H H 1 8.33 0.01 . 1 . . . . 321 GLY HN . 7162 1 140 . 1 1 86 86 GLY N N 15 107.0 0.25 . 1 . . . . 321 GLY N . 7162 1 141 . 1 1 87 87 GLU H H 1 8.34 0.01 . 1 . . . . 322 GLU HN . 7162 1 142 . 1 1 87 87 GLU N N 15 119.4 0.25 . 1 . . . . 322 GLU N . 7162 1 143 . 1 1 88 88 ILE H H 1 7.24 0.01 . 1 . . . . 323 ILE HN . 7162 1 144 . 1 1 88 88 ILE N N 15 116.5 0.25 . 1 . . . . 323 ILE N . 7162 1 145 . 1 1 90 90 VAL H H 1 7.99 0.01 . 1 . . . . 325 VAL HN . 7162 1 146 . 1 1 90 90 VAL N N 15 114.6 0.25 . 1 . . . . 325 VAL N . 7162 1 147 . 1 1 91 91 VAL H H 1 8.88 0.01 . 1 . . . . 326 VAL HN . 7162 1 148 . 1 1 91 91 VAL N N 15 123.0 0.25 . 1 . . . . 326 VAL N . 7162 1 149 . 1 1 92 92 ALA H H 1 8.46 0.01 . 1 . . . . 327 ALA HN . 7162 1 150 . 1 1 92 92 ALA N N 15 126.4 0.25 . 1 . . . . 327 ALA N . 7162 1 151 . 1 1 93 93 ILE H H 1 9.23 0.01 . 1 . . . . 328 ILE HN . 7162 1 152 . 1 1 93 93 ILE N N 15 119.1 0.25 . 1 . . . . 328 ILE N . 7162 1 153 . 1 1 94 94 ARG H H 1 8.88 0.01 . 1 . . . . 329 ARG HN . 7162 1 154 . 1 1 94 94 ARG N N 15 126.0 0.25 . 1 . . . . 329 ARG N . 7162 1 155 . 1 1 95 95 THR H H 1 9.29 0.01 . 1 . . . . 330 THR HN . 7162 1 156 . 1 1 95 95 THR N N 15 116.8 0.25 . 1 . . . . 330 THR N . 7162 1 157 . 1 1 96 96 ALA H H 1 9.79 0.01 . 1 . . . . 331 ALA HN . 7162 1 158 . 1 1 96 96 ALA N N 15 125.5 0.25 . 1 . . . . 331 ALA N . 7162 1 159 . 1 1 97 97 LYS H H 1 7.47 0.01 . 1 . . . . 332 LYS HN . 7162 1 160 . 1 1 97 97 LYS N N 15 113.9 0.25 . 1 . . . . 332 LYS N . 7162 1 161 . 1 1 98 98 GLY H H 1 8.13 0.01 . 1 . . . . 333 GLY HN . 7162 1 162 . 1 1 98 98 GLY N N 15 108.1 0.25 . 1 . . . . 333 GLY N . 7162 1 163 . 1 1 99 99 GLU H H 1 7.54 0.01 . 1 . . . . 334 GLU HN . 7162 1 164 . 1 1 99 99 GLU N N 15 119.9 0.25 . 1 . . . . 334 GLU N . 7162 1 165 . 1 1 101 101 PHE H H 1 9.16 0.01 . 1 . . . . 336 PHE HN . 7162 1 166 . 1 1 101 101 PHE N N 15 119.6 0.25 . 1 . . . . 336 PHE N . 7162 1 167 . 1 1 102 102 VAL H H 1 8.99 0.01 . 1 . . . . 337 VAL HN . 7162 1 168 . 1 1 102 102 VAL N N 15 122.1 0.25 . 1 . . . . 337 VAL N . 7162 1 169 . 1 1 103 103 MET H H 1 7.77 0.01 . 1 . . . . 338 MET HN . 7162 1 170 . 1 1 103 103 MET N N 15 130.1 0.25 . 1 . . . . 338 MET N . 7162 1 171 . 1 1 104 104 GLN H H 1 8.56 0.01 . 1 . . . . 339 GLN HN . 7162 1 172 . 1 1 104 104 GLN N N 15 126.0 0.25 . 1 . . . . 339 GLN N . 7162 1 173 . 1 1 105 105 GLU H H 1 7.47 0.01 . 1 . . . . 340 GLU HN . 7162 1 174 . 1 1 105 105 GLU N N 15 118.9 0.25 . 1 . . . . 340 GLU N . 7162 1 175 . 1 1 106 106 GLU H H 1 8.44 0.01 . 1 . . . . 341 GLU HN . 7162 1 176 . 1 1 106 106 GLU N N 15 121.7 0.25 . 1 . . . . 341 GLU N . 7162 1 177 . 1 1 107 107 PHE H H 1 8.63 0.01 . 1 . . . . 342 PHE HN . 7162 1 178 . 1 1 107 107 PHE N N 15 125.5 0.25 . 1 . . . . 342 PHE N . 7162 1 179 . 1 1 108 108 SER H H 1 8.57 0.01 . 1 . . . . 343 SER HN . 7162 1 180 . 1 1 108 108 SER N N 15 119.8 0.25 . 1 . . . . 343 SER N . 7162 1 181 . 1 1 109 109 ARG H H 1 9.24 0.01 . 1 . . . . 344 ARG HN . 7162 1 182 . 1 1 109 109 ARG N N 15 128.8 0.25 . 1 . . . . 344 ARG N . 7162 1 183 . 1 1 110 110 ASP H H 1 7.86 0.01 . 1 . . . . 345 ASP HN . 7162 1 184 . 1 1 110 110 ASP N N 15 121.8 0.25 . 1 . . . . 345 ASP N . 7162 1 185 . 1 1 111 111 GLY H H 1 7.85 0.01 . 1 . . . . 346 GLY HN . 7162 1 186 . 1 1 111 111 GLY N N 15 107.2 0.25 . 1 . . . . 346 GLY N . 7162 1 187 . 1 1 112 112 LYS H H 1 8.20 0.01 . 1 . . . . 347 LYS HN . 7162 1 188 . 1 1 112 112 LYS N N 15 120.4 0.25 . 1 . . . . 347 LYS N . 7162 1 189 . 1 1 113 113 ALA H H 1 7.61 0.01 . 1 . . . . 348 ALA HN . 7162 1 190 . 1 1 113 113 ALA N N 15 120.5 0.25 . 1 . . . . 348 ALA N . 7162 1 191 . 1 1 114 114 LEU H H 1 7.19 0.01 . 1 . . . . 349 LEU HN . 7162 1 192 . 1 1 114 114 LEU N N 15 119.3 0.25 . 1 . . . . 349 LEU N . 7162 1 193 . 1 1 115 115 GLU H H 1 8.21 0.01 . 1 . . . . 350 GLU HN . 7162 1 194 . 1 1 115 115 GLU N N 15 119.9 0.25 . 1 . . . . 350 GLU N . 7162 1 195 . 1 1 116 116 ARG H H 1 8.06 0.01 . 1 . . . . 351 ARG HN . 7162 1 196 . 1 1 116 116 ARG N N 15 117.8 0.25 . 1 . . . . 351 ARG N . 7162 1 197 . 1 1 117 117 PHE H H 1 7.71 0.01 . 1 . . . . 352 PHE HN . 7162 1 198 . 1 1 117 117 PHE N N 15 120.1 0.25 . 1 . . . . 352 PHE N . 7162 1 199 . 1 1 118 118 LEU H H 1 8.17 0.01 . 1 . . . . 353 LEU HN . 7162 1 200 . 1 1 118 118 LEU N N 15 117.3 0.25 . 1 . . . . 353 LEU N . 7162 1 201 . 1 1 119 119 GLN H H 1 8.45 0.01 . 1 . . . . 354 GLN HN . 7162 1 202 . 1 1 119 119 GLN N N 15 119.2 0.25 . 1 . . . . 354 GLN N . 7162 1 203 . 1 1 120 120 ASP H H 1 8.01 0.01 . 1 . . . . 355 ASP HN . 7162 1 204 . 1 1 120 120 ASP N N 15 117.6 0.25 . 1 . . . . 355 ASP N . 7162 1 205 . 1 1 121 121 TYR H H 1 8.09 0.01 . 1 . . . . 356 TYR HN . 7162 1 206 . 1 1 121 121 TYR N N 15 121.6 0.25 . 1 . . . . 356 TYR N . 7162 1 207 . 1 1 122 122 PHE H H 1 8.36 0.01 . 1 . . . . 357 PHE HN . 7162 1 208 . 1 1 122 122 PHE N N 15 120.1 0.25 . 1 . . . . 357 PHE N . 7162 1 209 . 1 1 123 123 ASP H H 1 8.24 0.01 . 1 . . . . 358 ASP HN . 7162 1 210 . 1 1 123 123 ASP N N 15 118.3 0.25 . 1 . . . . 358 ASP N . 7162 1 211 . 1 1 124 124 GLY H H 1 7.43 0.01 . 1 . . . . 359 GLY HN . 7162 1 212 . 1 1 124 124 GLY N N 15 107.8 0.25 . 1 . . . . 359 GLY N . 7162 1 213 . 1 1 125 125 ASN H H 1 8.27 0.01 . 1 . . . . 360 ASN HN . 7162 1 214 . 1 1 125 125 ASN N N 15 116.3 0.25 . 1 . . . . 360 ASN N . 7162 1 215 . 1 1 126 126 LEU H H 1 7.59 0.01 . 1 . . . . 361 LEU HN . 7162 1 216 . 1 1 126 126 LEU N N 15 119.1 0.25 . 1 . . . . 361 LEU N . 7162 1 217 . 1 1 128 128 ARG H H 1 8.42 0.01 . 1 . . . . 363 ARG HN . 7162 1 218 . 1 1 128 128 ARG N N 15 123.1 0.25 . 1 . . . . 363 ARG N . 7162 1 219 . 1 1 129 129 TYR H H 1 8.69 0.01 . 1 . . . . 364 TYR HN . 7162 1 220 . 1 1 129 129 TYR N N 15 123.3 0.25 . 1 . . . . 364 TYR N . 7162 1 221 . 1 1 130 130 LEU H H 1 7.66 0.01 . 1 . . . . 365 LEU HN . 7162 1 222 . 1 1 130 130 LEU N N 15 128.5 0.25 . 1 . . . . 365 LEU N . 7162 1 223 . 1 1 131 131 LYS H H 1 7.9 0.01 . 1 . . . . 366 LYS HN . 7162 1 224 . 1 1 131 131 LYS N N 15 123.1 0.25 . 1 . . . . 366 LYS N . 7162 1 225 . 1 1 132 132 SER H H 1 8.2 0.01 . 1 . . . . 367 SER HN . 7162 1 226 . 1 1 132 132 SER N N 15 117.7 0.25 . 1 . . . . 367 SER N . 7162 1 227 . 1 1 133 133 GLU H H 1 8.3 0.01 . 1 . . . . 368 GLU HN . 7162 1 228 . 1 1 133 133 GLU N N 15 124.0 0.25 . 1 . . . . 368 GLU N . 7162 1 229 . 1 1 135 135 ILE H H 1 8.2 0.01 . 1 . . . . 370 ILE HN . 7162 1 230 . 1 1 135 135 ILE N N 15 122.8 0.25 . 1 . . . . 370 ILE N . 7162 1 231 . 1 1 137 137 GLU H H 1 8.4 0.01 . 1 . . . . 372 GLU HN . 7162 1 232 . 1 1 137 137 GLU N N 15 121.2 0.25 . 1 . . . . 372 GLU N . 7162 1 233 . 1 1 138 138 SER H H 1 8.3 0.01 . 1 . . . . 373 SER HN . 7162 1 234 . 1 1 138 138 SER N N 15 116.4 0.25 . 1 . . . . 373 SER N . 7162 1 235 . 1 1 140 140 ASP H H 1 8.3 0.01 . 1 . . . . 375 ASP HN . 7162 1 236 . 1 1 140 140 ASP N N 15 120.7 0.25 . 1 . . . . 375 ASP N . 7162 1 237 . 1 1 141 141 GLY H H 1 8.3 0.01 . 1 . . . . 376 GLY HN . 7162 1 238 . 1 1 141 141 GLY N N 15 109.3 0.25 . 1 . . . . 376 GLY N . 7162 1 239 . 1 1 142 142 ALA H H 1 8.0 0.01 . 1 . . . . 377 ALA HN . 7162 1 240 . 1 1 142 142 ALA N N 15 123.5 0.25 . 1 . . . . 377 ALA N . 7162 1 241 . 1 1 143 143 ALA H H 1 8.1 0.01 . 1 . . . . 378 ALA HN . 7162 1 242 . 1 1 143 143 ALA N N 15 123.9 0.25 . 1 . . . . 378 ALA N . 7162 1 243 . 1 1 144 144 ALA H H 1 8.1 0.01 . 1 . . . . 379 ALA HN . 7162 1 244 . 1 1 144 144 ALA N N 15 123.2 0.25 . 1 . . . . 379 ALA N . 7162 1 245 . 1 1 145 145 SER H H 1 7.8 0.01 . 1 . . . . 380 SER HN . 7162 1 246 . 1 1 145 145 SER N N 15 120.6 0.25 . 1 . . . . 380 SER N . 7162 1 stop_ save_