################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51450 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PBRM1-BD2-5-Chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 51450 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 3 $software_3 . . 51450 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 SER H H 1 8.770 0.02 . . . . . . . 178 SER H . 51450 1 2 . 1 . 1 3 3 SER N N 15 121.146 0.1 . . . . . . . 178 SER N . 51450 1 3 . 1 . 1 5 5 ALA H H 1 8.251 0.02 . . . . . . . 180 ALA H . 51450 1 4 . 1 . 1 5 5 ALA N N 15 120.253 0.1 . . . . . . . 180 ALA N . 51450 1 5 . 1 . 1 6 6 TYR H H 1 7.804 0.02 . . . . . . . 181 TYR H . 51450 1 6 . 1 . 1 6 6 TYR N N 15 120.566 0.1 . . . . . . . 181 TYR N . 51450 1 7 . 1 . 1 7 7 LEU H H 1 8.220 0.02 . . . . . . . 182 LEU H . 51450 1 8 . 1 . 1 7 7 LEU N N 15 119.260 0.1 . . . . . . . 182 LEU N . 51450 1 9 . 1 . 1 8 8 LYS H H 1 7.916 0.02 . . . . . . . 183 LYS H . 51450 1 10 . 1 . 1 8 8 LYS N N 15 117.574 0.1 . . . . . . . 183 LYS N . 51450 1 11 . 1 . 1 9 9 GLU H H 1 7.378 0.02 . . . . . . . 184 GLU H . 51450 1 12 . 1 . 1 9 9 GLU N N 15 116.197 0.1 . . . . . . . 184 GLU N . 51450 1 13 . 1 . 1 10 10 ILE H H 1 7.762 0.02 . . . . . . . 185 ILE H . 51450 1 14 . 1 . 1 10 10 ILE N N 15 120.057 0.1 . . . . . . . 185 ILE N . 51450 1 15 . 1 . 1 11 11 LEU H H 1 8.763 0.02 . . . . . . . 186 LEU H . 51450 1 16 . 1 . 1 11 11 LEU N N 15 119.673 0.1 . . . . . . . 186 LEU N . 51450 1 17 . 1 . 1 12 12 GLU H H 1 8.701 0.02 . . . . . . . 187 GLU H . 51450 1 18 . 1 . 1 12 12 GLU N N 15 116.785 0.1 . . . . . . . 187 GLU N . 51450 1 19 . 1 . 1 13 13 GLN H H 1 7.920 0.02 . . . . . . . 188 GLN H . 51450 1 20 . 1 . 1 13 13 GLN N N 15 120.345 0.1 . . . . . . . 188 GLN N . 51450 1 21 . 1 . 1 14 14 LEU H H 1 8.123 0.02 . . . . . . . 189 LEU H . 51450 1 22 . 1 . 1 14 14 LEU N N 15 122.217 0.1 . . . . . . . 189 LEU N . 51450 1 23 . 1 . 1 15 15 LEU H H 1 8.170 0.02 . . . . . . . 190 LEU H . 51450 1 24 . 1 . 1 15 15 LEU N N 15 117.281 0.1 . . . . . . . 190 LEU N . 51450 1 25 . 1 . 1 16 16 GLU H H 1 8.492 0.02 . . . . . . . 191 GLU H . 51450 1 26 . 1 . 1 16 16 GLU N N 15 119.392 0.1 . . . . . . . 191 GLU N . 51450 1 27 . 1 . 1 17 17 ALA H H 1 7.388 0.02 . . . . . . . 192 ALA H . 51450 1 28 . 1 . 1 17 17 ALA N N 15 116.440 0.1 . . . . . . . 192 ALA N . 51450 1 29 . 1 . 1 18 18 ILE H H 1 7.217 0.02 . . . . . . . 193 ILE H . 51450 1 30 . 1 . 1 18 18 ILE N N 15 113.068 0.1 . . . . . . . 193 ILE N . 51450 1 31 . 1 . 1 19 19 VAL H H 1 8.277 0.02 . . . . . . . 194 VAL H . 51450 1 32 . 1 . 1 19 19 VAL N N 15 115.806 0.1 . . . . . . . 194 VAL N . 51450 1 33 . 1 . 1 20 20 VAL H H 1 7.786 0.02 . . . . . . . 195 VAL H . 51450 1 34 . 1 . 1 20 20 VAL N N 15 110.396 0.1 . . . . . . . 195 VAL N . 51450 1 35 . 1 . 1 21 21 ALA H H 1 6.783 0.02 . . . . . . . 196 ALA H . 51450 1 36 . 1 . 1 21 21 ALA N N 15 124.238 0.1 . . . . . . . 196 ALA N . 51450 1 37 . 1 . 1 22 22 THR H H 1 8.522 0.02 . . . . . . . 197 THR H . 51450 1 38 . 1 . 1 22 22 THR N N 15 112.575 0.1 . . . . . . . 197 THR N . 51450 1 39 . 1 . 1 23 23 ASN H H 1 8.475 0.02 . . . . . . . 198 ASN H . 51450 1 40 . 1 . 1 23 23 ASN N N 15 121.084 0.1 . . . . . . . 198 ASN N . 51450 1 41 . 1 . 1 25 25 SER H H 1 7.667 0.02 . . . . . . . 200 SER H . 51450 1 42 . 1 . 1 25 25 SER N N 15 110.451 0.1 . . . . . . . 200 SER N . 51450 1 43 . 1 . 1 26 26 GLY H H 1 8.513 0.02 . . . . . . . 201 GLY H . 51450 1 44 . 1 . 1 26 26 GLY N N 15 109.878 0.1 . . . . . . . 201 GLY N . 51450 1 45 . 1 . 1 27 27 ARG H H 1 7.660 0.02 . . . . . . . 202 ARG H . 51450 1 46 . 1 . 1 27 27 ARG N N 15 121.278 0.1 . . . . . . . 202 ARG N . 51450 1 47 . 1 . 1 28 28 LEU H H 1 8.772 0.02 . . . . . . . 203 LEU H . 51450 1 48 . 1 . 1 28 28 LEU N N 15 125.302 0.1 . . . . . . . 203 LEU N . 51450 1 49 . 1 . 1 29 29 ILE H H 1 7.732 0.02 . . . . . . . 204 ILE H . 51450 1 50 . 1 . 1 29 29 ILE N N 15 123.610 0.1 . . . . . . . 204 ILE N . 51450 1 51 . 1 . 1 30 30 SER H H 1 9.198 0.02 . . . . . . . 205 SER H . 51450 1 52 . 1 . 1 30 30 SER N N 15 112.274 0.1 . . . . . . . 205 SER N . 51450 1 53 . 1 . 1 31 31 GLU H H 1 7.190 0.02 . . . . . . . 206 GLU H . 51450 1 54 . 1 . 1 31 31 GLU N N 15 122.473 0.1 . . . . . . . 206 GLU N . 51450 1 55 . 1 . 1 32 32 LEU H H 1 8.795 0.02 . . . . . . . 207 LEU H . 51450 1 56 . 1 . 1 32 32 LEU N N 15 116.697 0.1 . . . . . . . 207 LEU N . 51450 1 57 . 1 . 1 34 34 GLN H H 1 7.269 0.02 . . . . . . . 209 GLN H . 51450 1 58 . 1 . 1 34 34 GLN N N 15 120.073 0.1 . . . . . . . 209 GLN N . 51450 1 59 . 1 . 1 35 35 LYS H H 1 7.818 0.02 . . . . . . . 210 LYS H . 51450 1 60 . 1 . 1 35 35 LYS N N 15 114.143 0.1 . . . . . . . 210 LYS N . 51450 1 61 . 1 . 1 38 38 SER H H 1 8.926 0.02 . . . . . . . 213 SER H . 51450 1 62 . 1 . 1 38 38 SER N N 15 116.541 0.1 . . . . . . . 213 SER N . 51450 1 63 . 1 . 1 39 39 LYS H H 1 8.994 0.02 . . . . . . . 214 LYS H . 51450 1 64 . 1 . 1 39 39 LYS N N 15 129.225 0.1 . . . . . . . 214 LYS N . 51450 1 65 . 1 . 1 40 40 VAL H H 1 7.605 0.02 . . . . . . . 215 VAL H . 51450 1 66 . 1 . 1 40 40 VAL N N 15 115.946 0.1 . . . . . . . 215 VAL N . 51450 1 67 . 1 . 1 41 41 GLN H H 1 7.176 0.02 . . . . . . . 216 GLN H . 51450 1 68 . 1 . 1 41 41 GLN N N 15 117.434 0.1 . . . . . . . 216 GLN N . 51450 1 69 . 1 . 1 42 42 TYR H H 1 8.078 0.02 . . . . . . . 217 TYR H . 51450 1 70 . 1 . 1 42 42 TYR N N 15 114.806 0.1 . . . . . . . 217 TYR N . 51450 1 71 . 1 . 1 44 44 ASP H H 1 9.189 0.02 . . . . . . . 219 ASP H . 51450 1 72 . 1 . 1 44 44 ASP N N 15 116.826 0.1 . . . . . . . 219 ASP N . 51450 1 73 . 1 . 1 45 45 TYR H H 1 7.661 0.02 . . . . . . . 220 TYR H . 51450 1 74 . 1 . 1 45 45 TYR N N 15 121.384 0.1 . . . . . . . 220 TYR N . 51450 1 75 . 1 . 1 46 46 TYR H H 1 6.805 0.02 . . . . . . . 221 TYR H . 51450 1 76 . 1 . 1 46 46 TYR N N 15 113.502 0.1 . . . . . . . 221 TYR N . 51450 1 77 . 1 . 1 47 47 ALA H H 1 7.492 0.02 . . . . . . . 222 ALA H . 51450 1 78 . 1 . 1 47 47 ALA N N 15 121.030 0.1 . . . . . . . 222 ALA N . 51450 1 79 . 1 . 1 48 48 ILE H H 1 7.124 0.02 . . . . . . . 223 ILE H . 51450 1 80 . 1 . 1 48 48 ILE N N 15 115.766 0.1 . . . . . . . 223 ILE N . 51450 1 81 . 1 . 1 49 49 ILE H H 1 7.926 0.02 . . . . . . . 224 ILE H . 51450 1 82 . 1 . 1 49 49 ILE N N 15 122.061 0.1 . . . . . . . 224 ILE N . 51450 1 83 . 1 . 1 50 50 LYS H H 1 7.917 0.02 . . . . . . . 225 LYS H . 51450 1 84 . 1 . 1 50 50 LYS N N 15 125.598 0.1 . . . . . . . 225 LYS N . 51450 1 85 . 1 . 1 51 51 GLU H H 1 8.509 0.02 . . . . . . . 226 GLU H . 51450 1 86 . 1 . 1 51 51 GLU N N 15 119.397 0.1 . . . . . . . 226 GLU N . 51450 1 87 . 1 . 1 53 53 ILE H H 1 8.640 0.02 . . . . . . . 228 ILE H . 51450 1 88 . 1 . 1 53 53 ILE N N 15 120.735 0.1 . . . . . . . 228 ILE N . 51450 1 89 . 1 . 1 55 55 LEU H H 1 8.827 0.02 . . . . . . . 230 LEU H . 51450 1 90 . 1 . 1 55 55 LEU N N 15 116.015 0.1 . . . . . . . 230 LEU N . 51450 1 91 . 1 . 1 56 56 LYS H H 1 9.076 0.02 . . . . . . . 231 LYS H . 51450 1 92 . 1 . 1 56 56 LYS N N 15 122.010 0.1 . . . . . . . 231 LYS N . 51450 1 93 . 1 . 1 57 57 THR H H 1 8.793 0.02 . . . . . . . 232 THR H . 51450 1 94 . 1 . 1 57 57 THR N N 15 118.920 0.1 . . . . . . . 232 THR N . 51450 1 95 . 1 . 1 58 58 ILE H H 1 7.525 0.02 . . . . . . . 233 ILE H . 51450 1 96 . 1 . 1 58 58 ILE N N 15 123.497 0.1 . . . . . . . 233 ILE N . 51450 1 97 . 1 . 1 59 59 ALA H H 1 8.565 0.02 . . . . . . . 234 ALA H . 51450 1 98 . 1 . 1 59 59 ALA N N 15 120.593 0.1 . . . . . . . 234 ALA N . 51450 1 99 . 1 . 1 60 60 GLN H H 1 8.084 0.02 . . . . . . . 235 GLN H . 51450 1 100 . 1 . 1 60 60 GLN N N 15 118.989 0.1 . . . . . . . 235 GLN N . 51450 1 101 . 1 . 1 61 61 ARG H H 1 8.180 0.02 . . . . . . . 236 ARG H . 51450 1 102 . 1 . 1 61 61 ARG N N 15 120.892 0.1 . . . . . . . 236 ARG N . 51450 1 103 . 1 . 1 62 62 ILE H H 1 7.977 0.02 . . . . . . . 237 ILE H . 51450 1 104 . 1 . 1 62 62 ILE N N 15 119.229 0.1 . . . . . . . 237 ILE N . 51450 1 105 . 1 . 1 63 63 GLN H H 1 7.843 0.02 . . . . . . . 238 GLN H . 51450 1 106 . 1 . 1 63 63 GLN N N 15 117.605 0.1 . . . . . . . 238 GLN N . 51450 1 107 . 1 . 1 64 64 ASN H H 1 8.439 0.02 . . . . . . . 239 ASN H . 51450 1 108 . 1 . 1 64 64 ASN N N 15 114.463 0.1 . . . . . . . 239 ASN N . 51450 1 109 . 1 . 1 65 65 GLY H H 1 7.603 0.02 . . . . . . . 240 GLY H . 51450 1 110 . 1 . 1 65 65 GLY N N 15 107.558 0.1 . . . . . . . 240 GLY N . 51450 1 111 . 1 . 1 66 66 SER H H 1 8.349 0.02 . . . . . . . 241 SER H . 51450 1 112 . 1 . 1 66 66 SER N N 15 115.076 0.1 . . . . . . . 241 SER N . 51450 1 113 . 1 . 1 67 67 TYR H H 1 8.002 0.02 . . . . . . . 242 TYR H . 51450 1 114 . 1 . 1 67 67 TYR N N 15 118.704 0.1 . . . . . . . 242 TYR N . 51450 1 115 . 1 . 1 69 69 SER H H 1 7.674 0.02 . . . . . . . 244 SER H . 51450 1 116 . 1 . 1 69 69 SER N N 15 110.137 0.1 . . . . . . . 244 SER N . 51450 1 117 . 1 . 1 70 70 ILE H H 1 9.028 0.02 . . . . . . . 245 ILE H . 51450 1 118 . 1 . 1 70 70 ILE N N 15 119.991 0.1 . . . . . . . 245 ILE N . 51450 1 119 . 1 . 1 71 71 HIS H H 1 8.143 0.02 . . . . . . . 246 HIS H . 51450 1 120 . 1 . 1 71 71 HIS N N 15 119.411 0.1 . . . . . . . 246 HIS N . 51450 1 121 . 1 . 1 72 72 ALA H H 1 7.793 0.02 . . . . . . . 247 ALA H . 51450 1 122 . 1 . 1 72 72 ALA N N 15 120.345 0.1 . . . . . . . 247 ALA N . 51450 1 123 . 1 . 1 73 73 MET H H 1 6.575 0.02 . . . . . . . 248 MET H . 51450 1 124 . 1 . 1 73 73 MET N N 15 117.489 0.1 . . . . . . . 248 MET N . 51450 1 125 . 1 . 1 74 74 ALA H H 1 8.265 0.02 . . . . . . . 249 ALA H . 51450 1 126 . 1 . 1 74 74 ALA N N 15 121.987 0.1 . . . . . . . 249 ALA N . 51450 1 127 . 1 . 1 75 75 LYS H H 1 7.629 0.02 . . . . . . . 250 LYS H . 51450 1 128 . 1 . 1 75 75 LYS N N 15 114.770 0.1 . . . . . . . 250 LYS N . 51450 1 129 . 1 . 1 76 76 ASP H H 1 6.940 0.02 . . . . . . . 251 ASP H . 51450 1 130 . 1 . 1 76 76 ASP N N 15 121.414 0.1 . . . . . . . 251 ASP N . 51450 1 131 . 1 . 1 77 77 ILE H H 1 7.559 0.02 . . . . . . . 252 ILE H . 51450 1 132 . 1 . 1 77 77 ILE N N 15 123.088 0.1 . . . . . . . 252 ILE N . 51450 1 133 . 1 . 1 78 78 ASP H H 1 8.862 0.02 . . . . . . . 253 ASP H . 51450 1 134 . 1 . 1 78 78 ASP N N 15 120.473 0.1 . . . . . . . 253 ASP N . 51450 1 135 . 1 . 1 79 79 LEU H H 1 7.712 0.02 . . . . . . . 254 LEU H . 51450 1 136 . 1 . 1 79 79 LEU N N 15 122.923 0.1 . . . . . . . 254 LEU N . 51450 1 137 . 1 . 1 80 80 LEU H H 1 8.001 0.02 . . . . . . . 255 LEU H . 51450 1 138 . 1 . 1 80 80 LEU N N 15 121.660 0.1 . . . . . . . 255 LEU N . 51450 1 139 . 1 . 1 82 82 LYS H H 1 8.507 0.02 . . . . . . . 257 LYS H . 51450 1 140 . 1 . 1 82 82 LYS N N 15 120.570 0.1 . . . . . . . 257 LYS N . 51450 1 141 . 1 . 1 83 83 ASN H H 1 9.099 0.02 . . . . . . . 258 ASN H . 51450 1 142 . 1 . 1 83 83 ASN N N 15 120.137 0.1 . . . . . . . 258 ASN N . 51450 1 143 . 1 . 1 85 85 LYS H H 1 8.146 0.02 . . . . . . . 260 LYS H . 51450 1 144 . 1 . 1 85 85 LYS N N 15 117.285 0.1 . . . . . . . 260 LYS N . 51450 1 145 . 1 . 1 86 86 THR H H 1 8.088 0.02 . . . . . . . 261 THR H . 51450 1 146 . 1 . 1 86 86 THR N N 15 115.750 0.1 . . . . . . . 261 THR N . 51450 1 147 . 1 . 1 88 88 ASN H H 1 7.391 0.02 . . . . . . . 263 ASN H . 51450 1 148 . 1 . 1 88 88 ASN N N 15 112.779 0.1 . . . . . . . 263 ASN N . 51450 1 149 . 1 . 1 91 91 GLY H H 1 7.430 0.02 . . . . . . . 266 GLY H . 51450 1 150 . 1 . 1 91 91 GLY N N 15 107.994 0.1 . . . . . . . 266 GLY N . 51450 1 151 . 1 . 1 92 92 SER H H 1 7.892 0.02 . . . . . . . 267 SER H . 51450 1 152 . 1 . 1 92 92 SER N N 15 115.481 0.1 . . . . . . . 267 SER N . 51450 1 153 . 1 . 1 94 94 VAL H H 1 7.830 0.02 . . . . . . . 269 VAL H . 51450 1 154 . 1 . 1 94 94 VAL N N 15 116.146 0.1 . . . . . . . 269 VAL N . 51450 1 155 . 1 . 1 95 95 PHE H H 1 6.902 0.02 . . . . . . . 270 PHE H . 51450 1 156 . 1 . 1 95 95 PHE N N 15 120.513 0.1 . . . . . . . 270 PHE N . 51450 1 157 . 1 . 1 96 96 LYS H H 1 8.085 0.02 . . . . . . . 271 LYS H . 51450 1 158 . 1 . 1 96 96 LYS N N 15 118.129 0.1 . . . . . . . 271 LYS N . 51450 1 159 . 1 . 1 97 97 ASP H H 1 9.241 0.02 . . . . . . . 272 ASP H . 51450 1 160 . 1 . 1 97 97 ASP N N 15 122.310 0.1 . . . . . . . 272 ASP N . 51450 1 161 . 1 . 1 98 98 ALA H H 1 8.349 0.02 . . . . . . . 273 ALA H . 51450 1 162 . 1 . 1 98 98 ALA N N 15 123.185 0.1 . . . . . . . 273 ALA N . 51450 1 163 . 1 . 1 99 99 ASN H H 1 7.709 0.02 . . . . . . . 274 ASN H . 51450 1 164 . 1 . 1 99 99 ASN N N 15 115.029 0.1 . . . . . . . 274 ASN N . 51450 1 165 . 1 . 1 100 100 SER H H 1 8.426 0.02 . . . . . . . 275 SER H . 51450 1 166 . 1 . 1 100 100 SER N N 15 118.131 0.1 . . . . . . . 275 SER N . 51450 1 167 . 1 . 1 101 101 ILE H H 1 8.293 0.02 . . . . . . . 276 ILE H . 51450 1 168 . 1 . 1 101 101 ILE N N 15 122.271 0.1 . . . . . . . 276 ILE N . 51450 1 169 . 1 . 1 102 102 LYS H H 1 7.477 0.02 . . . . . . . 277 LYS H . 51450 1 170 . 1 . 1 102 102 LYS N N 15 119.109 0.1 . . . . . . . 277 LYS N . 51450 1 171 . 1 . 1 103 103 LYS H H 1 8.131 0.02 . . . . . . . 278 LYS H . 51450 1 172 . 1 . 1 103 103 LYS N N 15 118.419 0.1 . . . . . . . 278 LYS N . 51450 1 173 . 1 . 1 104 104 ILE H H 1 8.674 0.02 . . . . . . . 279 ILE H . 51450 1 174 . 1 . 1 104 104 ILE N N 15 120.445 0.1 . . . . . . . 279 ILE N . 51450 1 175 . 1 . 1 105 105 PHE H H 1 8.292 0.02 . . . . . . . 280 PHE H . 51450 1 176 . 1 . 1 105 105 PHE N N 15 119.789 0.1 . . . . . . . 280 PHE N . 51450 1 177 . 1 . 1 106 106 TYR H H 1 8.444 0.02 . . . . . . . 281 TYR H . 51450 1 178 . 1 . 1 106 106 TYR N N 15 116.165 0.1 . . . . . . . 281 TYR N . 51450 1 179 . 1 . 1 107 107 MET H H 1 8.696 0.02 . . . . . . . 282 MET H . 51450 1 180 . 1 . 1 107 107 MET N N 15 122.273 0.1 . . . . . . . 282 MET N . 51450 1 181 . 1 . 1 108 108 LYS H H 1 8.228 0.02 . . . . . . . 283 LYS H . 51450 1 182 . 1 . 1 108 108 LYS N N 15 121.472 0.1 . . . . . . . 283 LYS N . 51450 1 183 . 1 . 1 109 109 LYS H H 1 8.372 0.02 . . . . . . . 284 LYS H . 51450 1 184 . 1 . 1 109 109 LYS N N 15 120.685 0.1 . . . . . . . 284 LYS N . 51450 1 185 . 1 . 1 110 110 ALA H H 1 7.518 0.02 . . . . . . . 285 ALA H . 51450 1 186 . 1 . 1 110 110 ALA N N 15 118.850 0.1 . . . . . . . 285 ALA N . 51450 1 187 . 1 . 1 111 111 GLU H H 1 7.518 0.02 . . . . . . . 286 GLU H . 51450 1 188 . 1 . 1 111 111 GLU N N 15 117.712 0.1 . . . . . . . 286 GLU N . 51450 1 189 . 1 . 1 112 112 ILE H H 1 7.874 0.02 . . . . . . . 287 ILE H . 51450 1 190 . 1 . 1 112 112 ILE N N 15 117.258 0.1 . . . . . . . 287 ILE N . 51450 1 191 . 1 . 1 113 113 GLU H H 1 8.149 0.02 . . . . . . . 288 GLU H . 51450 1 192 . 1 . 1 113 113 GLU N N 15 119.334 0.1 . . . . . . . 288 GLU N . 51450 1 193 . 1 . 1 114 114 HIS H H 1 7.852 0.02 . . . . . . . 289 HIS H . 51450 1 194 . 1 . 1 114 114 HIS N N 15 118.274 0.1 . . . . . . . 289 HIS N . 51450 1 195 . 1 . 1 115 115 HIS H H 1 7.980 0.02 . . . . . . . 290 HIS H . 51450 1 196 . 1 . 1 115 115 HIS N N 15 120.518 0.1 . . . . . . . 290 HIS N . 51450 1 197 . 1 . 1 116 116 GLU H H 1 8.109 0.02 . . . . . . . 291 GLU H . 51450 1 198 . 1 . 1 116 116 GLU N N 15 127.218 0.1 . . . . . . . 291 GLU N . 51450 1 stop_ save_