################################### # 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 51894 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_list_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 $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 ; These partial chemical shift assignments were derived by comparing with overlays of spectra previously recorded for the isolated domains or domain combinations of human PARP-1: Zinc finger domains F1 (residues 1-108), F2 (residues 109-214) and F3 (residues 215-362) were compared against spectra previously used for assignments reported in BMRB 25892 (for F1F2F3) and BMRB 25889 (for F1F2); BRCT domain and part of following linker (residues 384-525) was compared against spectra previously used for assignments reported in BMRB 51892; WGR domain (residues 525-645) was compared against spectra previously used for assignments reported in BMRB 25895; CAT domain (residues 656-1014) was compared against spectra previously used for assignments reported in BMRB 50461. ; _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 TROSY' . . . 51894 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 2 $software_2 . . 51894 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 25 25 LYS H H 1 8.162 0.020 . 1 . . . . . 15 K HN . 51894 1 2 . 1 . 1 25 25 LYS N N 15 125.249 0.100 . 1 . . . . . 15 K N . 51894 1 3 . 1 . 1 37 37 SER H H 1 8.894 0.020 . 1 . . . . . 27 S HN . 51894 1 4 . 1 . 1 37 37 SER N N 15 116.985 0.100 . 1 . . . . . 27 S N . 51894 1 5 . 1 . 1 54 54 PHE H H 1 7.579 0.020 . 1 . . . . . 44 F HN . 51894 1 6 . 1 . 1 54 54 PHE N N 15 116.613 0.100 . 1 . . . . . 44 F N . 51894 1 7 . 1 . 1 62 62 TYR H H 1 9.525 0.020 . 1 . . . . . 52 Y HN . 51894 1 8 . 1 . 1 62 62 TYR N N 15 115.938 0.100 . 1 . . . . . 52 Y N . 51894 1 9 . 1 . 1 65 65 SER H H 1 9.282 0.020 . 1 . . . . . 55 S HN . 51894 1 10 . 1 . 1 65 65 SER N N 15 109.972 0.100 . 1 . . . . . 55 S N . 51894 1 11 . 1 . 1 66 66 CYS H H 1 7.030 0.020 . 1 . . . . . 56 C HN . 51894 1 12 . 1 . 1 66 66 CYS N N 15 120.036 0.100 . 1 . . . . . 56 C N . 51894 1 13 . 1 . 1 70 70 VAL H H 1 7.105 0.020 . 1 . . . . . 60 V HN . 51894 1 14 . 1 . 1 70 70 VAL N N 15 114.735 0.100 . 1 . . . . . 60 V N . 51894 1 15 . 1 . 1 76 76 HIS H H 1 8.812 0.020 . 1 . . . . . 66 H HN . 51894 1 16 . 1 . 1 76 76 HIS N N 15 116.672 0.100 . 1 . . . . . 66 H N . 51894 1 17 . 1 . 1 78 78 ASP H H 1 8.535 0.020 . 1 . . . . . 68 D HN . 51894 1 18 . 1 . 1 78 78 ASP N N 15 111.244 0.100 . 1 . . . . . 68 D N . 51894 1 19 . 1 . 1 79 79 VAL H H 1 7.213 0.020 . 1 . . . . . 69 V HN . 51894 1 20 . 1 . 1 79 79 VAL N N 15 115.068 0.100 . 1 . . . . . 69 V N . 51894 1 21 . 1 . 1 80 80 GLU H H 1 7.918 0.020 . 1 . . . . . 70 E HN . 51894 1 22 . 1 . 1 80 80 GLU N N 15 116.222 0.100 . 1 . . . . . 70 E N . 51894 1 23 . 1 . 1 81 81 VAL H H 1 7.902 0.020 . 1 . . . . . 71 V HN . 51894 1 24 . 1 . 1 81 81 VAL N N 15 117.112 0.100 . 1 . . . . . 71 V N . 51894 1 25 . 1 . 1 82 82 ASP H H 1 9.085 0.020 . 1 . . . . . 72 D HN . 51894 1 26 . 1 . 1 82 82 ASP N N 15 131.812 0.100 . 1 . . . . . 72 D N . 51894 1 27 . 1 . 1 85 85 SER H H 1 8.751 0.020 . 1 . . . . . 75 S HN . 51894 1 28 . 1 . 1 85 85 SER N N 15 109.503 0.100 . 1 . . . . . 75 S N . 51894 1 29 . 1 . 1 86 86 GLU H H 1 7.407 0.020 . 1 . . . . . 76 E HN . 51894 1 30 . 1 . 1 86 86 GLU N N 15 118.276 0.100 . 1 . . . . . 76 E N . 51894 1 31 . 1 . 1 87 87 LEU H H 1 7.069 0.020 . 1 . . . . . 77 L HN . 51894 1 32 . 1 . 1 87 87 LEU N N 15 119.000 0.100 . 1 . . . . . 77 L N . 51894 1 33 . 1 . 1 90 90 ASP H H 1 9.072 0.020 . 1 . . . . . 80 D HN . 51894 1 34 . 1 . 1 90 90 ASP N N 15 115.704 0.100 . 1 . . . . . 80 D N . 51894 1 35 . 1 . 1 93 93 GLN H H 1 7.651 0.020 . 1 . . . . . 83 Q HN . 51894 1 36 . 1 . 1 93 93 GLN N N 15 115.381 0.100 . 1 . . . . . 83 Q N . 51894 1 37 . 1 . 1 94 94 LYS H H 1 7.622 0.020 . 1 . . . . . 84 K HN . 51894 1 38 . 1 . 1 94 94 LYS N N 15 120.457 0.100 . 1 . . . . . 84 K N . 51894 1 39 . 1 . 1 97 97 LYS H H 1 8.701 0.020 . 1 . . . . . 87 K HN . 51894 1 40 . 1 . 1 97 97 LYS N N 15 118.041 0.100 . 1 . . . . . 87 K N . 51894 1 41 . 1 . 1 100 100 GLU H H 1 7.732 0.020 . 1 . . . . . 90 E HN . 51894 1 42 . 1 . 1 100 100 GLU N N 15 116.985 0.100 . 1 . . . . . 90 E N . 51894 1 43 . 1 . 1 105 105 THR H H 1 8.218 0.020 . 1 . . . . . 95 T HN . 51894 1 44 . 1 . 1 105 105 THR N N 15 117.542 0.100 . 1 . . . . . 95 T N . 51894 1 45 . 1 . 1 106 106 GLY H H 1 8.409 0.020 . 1 . . . . . 96 G HN . 51894 1 46 . 1 . 1 106 106 GLY N N 15 111.286 0.100 . 1 . . . . . 96 G N . 51894 1 47 . 1 . 1 108 108 GLY H H 1 8.572 0.020 . 1 . . . . . 98 G HN . 51894 1 48 . 1 . 1 108 108 GLY N N 15 110.406 0.100 . 1 . . . . . 98 G N . 51894 1 49 . 1 . 1 111 111 GLY H H 1 8.304 0.020 . 1 . . . . . 101 G HN . 51894 1 50 . 1 . 1 111 111 GLY N N 15 108.946 0.100 . 1 . . . . . 101 G N . 51894 1 51 . 1 . 1 113 113 GLY H H 1 8.601 0.020 . 1 . . . . . 103 G HN . 51894 1 52 . 1 . 1 113 113 GLY N N 15 112.790 0.100 . 1 . . . . . 103 G N . 51894 1 53 . 1 . 1 118 118 LYS H H 1 8.613 0.020 . 1 . . . . . 108 K HN . 51894 1 54 . 1 . 1 118 118 LYS N N 15 123.885 0.100 . 1 . . . . . 108 K N . 51894 1 55 . 1 . 1 125 125 ALA H H 1 8.636 0.020 . 1 . . . . . 115 A HN . 51894 1 56 . 1 . 1 125 125 ALA N N 15 118.726 0.100 . 1 . . . . . 115 A N . 51894 1 57 . 1 . 1 145 145 GLY H H 1 8.987 0.020 . 1 . . . . . 135 G HN . 51894 1 58 . 1 . 1 145 145 GLY N N 15 114.853 0.100 . 1 . . . . . 135 G N . 51894 1 59 . 1 . 1 149 149 LEU H H 1 9.059 0.020 . 1 . . . . . 139 L HN . 51894 1 60 . 1 . 1 149 149 LEU N N 15 122.315 0.100 . 1 . . . . . 139 L N . 51894 1 61 . 1 . 1 152 152 LYS H H 1 8.166 0.020 . 1 . . . . . 142 K HN . 51894 1 62 . 1 . 1 152 152 LYS N N 15 127.411 0.100 . 1 . . . . . 142 K N . 51894 1 63 . 1 . 1 181 181 GLY H H 1 7.813 0.020 . 1 . . . . . 171 G HN . 51894 1 64 . 1 . 1 181 181 GLY N N 15 107.009 0.100 . 1 . . . . . 171 G N . 51894 1 65 . 1 . 1 185 185 GLU H H 1 9.050 0.020 . 1 . . . . . 175 E HN . 51894 1 66 . 1 . 1 185 185 GLU N N 15 112.965 0.100 . 1 . . . . . 175 E N . 51894 1 67 . 1 . 1 186 186 TYR H H 1 7.540 0.020 . 1 . . . . . 176 Y HN . 51894 1 68 . 1 . 1 186 186 TYR N N 15 122.892 0.100 . 1 . . . . . 176 Y N . 51894 1 69 . 1 . 1 189 189 SER H H 1 7.564 0.020 . 1 . . . . . 179 S HN . 51894 1 70 . 1 . 1 189 189 SER N N 15 106.789 0.100 . 1 . . . . . 179 S N . 51894 1 71 . 1 . 1 191 191 LEU H H 1 7.710 0.020 . 1 . . . . . 181 L HN . 51894 1 72 . 1 . 1 191 191 LEU N N 15 119.939 0.100 . 1 . . . . . 181 L N . 51894 1 73 . 1 . 1 195 195 SER H H 1 8.572 0.020 . 1 . . . . . 185 S HN . 51894 1 74 . 1 . 1 195 195 SER N N 15 108.036 0.100 . 1 . . . . . 185 S N . 51894 1 75 . 1 . 1 197 197 LEU H H 1 7.259 0.020 . 1 . . . . . 187 L HN . 51894 1 76 . 1 . 1 197 197 LEU N N 15 119.430 0.100 . 1 . . . . . 187 L N . 51894 1 77 . 1 . 1 198 198 ALA H H 1 8.854 0.020 . 1 . . . . . 188 A HN . 51894 1 78 . 1 . 1 198 198 ALA N N 15 122.863 0.100 . 1 . . . . . 188 A N . 51894 1 79 . 1 . 1 199 199 THR H H 1 8.955 0.020 . 1 . . . . . 189 T HN . 51894 1 80 . 1 . 1 199 199 THR N N 15 119.459 0.100 . 1 . . . . . 189 T N . 51894 1 81 . 1 . 1 200 200 GLU H H 1 9.692 0.020 . 1 . . . . . 190 E HN . 51894 1 82 . 1 . 1 200 200 GLU N N 15 118.804 0.100 . 1 . . . . . 190 E N . 51894 1 83 . 1 . 1 201 201 ASP H H 1 7.122 0.020 . 1 . . . . . 191 D HN . 51894 1 84 . 1 . 1 201 201 ASP N N 15 119.107 0.100 . 1 . . . . . 191 D N . 51894 1 85 . 1 . 1 204 204 ALA H H 1 7.620 0.020 . 1 . . . . . 194 A HN . 51894 1 86 . 1 . 1 204 204 ALA N N 15 121.523 0.100 . 1 . . . . . 194 A N . 51894 1 87 . 1 . 1 213 213 LYS H H 1 8.384 0.020 . 1 . . . . . 203 K HN . 51894 1 88 . 1 . 1 213 213 LYS N N 15 125.391 0.100 . 1 . . . . . 203 K N . 51894 1 89 . 1 . 1 214 214 SER H H 1 8.437 0.020 . 1 . . . . . 204 S HN . 51894 1 90 . 1 . 1 214 214 SER N N 15 118.232 0.100 . 1 . . . . . 204 S N . 51894 1 91 . 1 . 1 215 215 GLU H H 1 8.582 0.020 . 1 . . . . . 205 E HN . 51894 1 92 . 1 . 1 215 215 GLU N N 15 123.542 0.100 . 1 . . . . . 205 E N . 51894 1 93 . 1 . 1 216 216 GLY H H 1 8.438 0.020 . 1 . . . . . 206 G HN . 51894 1 94 . 1 . 1 216 216 GLY N N 15 109.840 0.100 . 1 . . . . . 206 G N . 51894 1 95 . 1 . 1 218 218 ARG H H 1 8.468 0.020 . 1 . . . . . 208 R HN . 51894 1 96 . 1 . 1 218 218 ARG N N 15 123.151 0.100 . 1 . . . . . 208 R N . 51894 1 97 . 1 . 1 220 220 GLY H H 1 8.618 0.020 . 1 . . . . . 210 G HN . 51894 1 98 . 1 . 1 220 220 GLY N N 15 110.792 0.100 . 1 . . . . . 210 G N . 51894 1 99 . 1 . 1 221 221 ASP H H 1 8.271 0.020 . 1 . . . . . 211 D HN . 51894 1 100 . 1 . 1 221 221 ASP N N 15 120.462 0.100 . 1 . . . . . 211 D N . 51894 1 101 . 1 . 1 222 222 GLU H H 1 8.472 0.020 . 1 . . . . . 212 E HN . 51894 1 102 . 1 . 1 222 222 GLU N N 15 120.921 0.100 . 1 . . . . . 212 E N . 51894 1 103 . 1 . 1 223 223 VAL H H 1 8.145 0.020 . 1 . . . . . 213 V HN . 51894 1 104 . 1 . 1 223 223 VAL N N 15 120.510 0.100 . 1 . . . . . 213 V N . 51894 1 105 . 1 . 1 224 224 ASP H H 1 8.416 0.020 . 1 . . . . . 214 D HN . 51894 1 106 . 1 . 1 224 224 ASP N N 15 123.855 0.100 . 1 . . . . . 214 D N . 51894 1 107 . 1 . 1 225 225 GLY H H 1 8.352 0.020 . 1 . . . . . 215 G HN . 51894 1 108 . 1 . 1 225 225 GLY N N 15 109.532 0.100 . 1 . . . . . 215 G N . 51894 1 109 . 1 . 1 226 226 VAL H H 1 7.962 0.020 . 1 . . . . . 216 V HN . 51894 1 110 . 1 . 1 226 226 VAL N N 15 119.330 0.100 . 1 . . . . . 216 V N . 51894 1 111 . 1 . 1 228 228 GLU H H 1 8.369 0.020 . 1 . . . . . 218 E HN . 51894 1 112 . 1 . 1 228 228 GLU N N 15 121.762 0.100 . 1 . . . . . 218 E N . 51894 1 113 . 1 . 1 229 229 VAL H H 1 8.085 0.020 . 1 . . . . . 219 V HN . 51894 1 114 . 1 . 1 229 229 VAL N N 15 120.687 0.100 . 1 . . . . . 219 V N . 51894 1 115 . 1 . 1 249 249 LYS H H 1 7.935 0.020 . 1 . . . . . 239 K HN . 51894 1 116 . 1 . 1 249 249 LYS N N 15 120.447 0.100 . 1 . . . . . 239 K N . 51894 1 117 . 1 . 1 254 254 LEU H H 1 7.847 0.020 . 1 . . . . . 244 L HN . 51894 1 118 . 1 . 1 254 254 LEU N N 15 122.912 0.100 . 1 . . . . . 244 L N . 51894 1 119 . 1 . 1 255 255 ILE H H 1 8.072 0.020 . 1 . . . . . 245 I HN . 51894 1 120 . 1 . 1 255 255 ILE N N 15 118.569 0.100 . 1 . . . . . 245 I N . 51894 1 121 . 1 . 1 260 260 ASP H H 1 7.978 0.020 . 1 . . . . . 250 D HN . 51894 1 122 . 1 . 1 260 260 ASP N N 15 117.885 0.100 . 1 . . . . . 250 D N . 51894 1 123 . 1 . 1 263 263 LYS H H 1 7.798 0.020 . 1 . . . . . 253 K HN . 51894 1 124 . 1 . 1 263 263 LYS N N 15 115.449 0.100 . 1 . . . . . 253 K N . 51894 1 125 . 1 . 1 265 265 VAL H H 1 7.553 0.020 . 1 . . . . . 255 V HN . 51894 1 126 . 1 . 1 265 265 VAL N N 15 110.090 0.100 . 1 . . . . . 255 V N . 51894 1 127 . 1 . 1 268 268 THR H H 1 9.033 0.020 . 1 . . . . . 258 T HN . 51894 1 128 . 1 . 1 268 268 THR N N 15 118.139 0.100 . 1 . . . . . 258 T N . 51894 1 129 . 1 . 1 277 277 PHE H H 1 8.874 0.020 . 1 . . . . . 267 F HN . 51894 1 130 . 1 . 1 277 277 PHE N N 15 123.410 0.100 . 1 . . . . . 267 F N . 51894 1 131 . 1 . 1 278 278 ASN H H 1 7.124 0.020 . 1 . . . . . 268 N HN . 51894 1 132 . 1 . 1 278 278 ASN N N 15 113.278 0.100 . 1 . . . . . 268 N N . 51894 1 133 . 1 . 1 284 284 SER H H 1 8.272 0.020 . 1 . . . . . 274 S HN . 51894 1 134 . 1 . 1 284 284 SER N N 15 111.537 0.100 . 1 . . . . . 274 S N . 51894 1 135 . 1 . 1 288 288 ALA H H 1 7.621 0.020 . 1 . . . . . 278 A HN . 51894 1 136 . 1 . 1 288 288 ALA N N 15 124.887 0.100 . 1 . . . . . 278 A N . 51894 1 137 . 1 . 1 299 299 PHE H H 1 7.852 0.020 . 1 . . . . . 289 F HN . 51894 1 138 . 1 . 1 299 299 PHE N N 15 114.647 0.100 . 1 . . . . . 289 F N . 51894 1 139 . 1 . 1 303 303 LEU H H 1 7.775 0.020 . 1 . . . . . 293 L HN . 51894 1 140 . 1 . 1 303 303 LEU N N 15 123.313 0.100 . 1 . . . . . 293 L N . 51894 1 141 . 1 . 1 305 305 CYS H H 1 9.066 0.020 . 1 . . . . . 295 C HN . 51894 1 142 . 1 . 1 305 305 CYS N N 15 125.533 0.100 . 1 . . . . . 295 C N . 51894 1 143 . 1 . 1 306 306 GLU H H 1 8.914 0.020 . 1 . . . . . 296 E HN . 51894 1 144 . 1 . 1 306 306 GLU N N 15 129.543 0.100 . 1 . . . . . 296 E N . 51894 1 145 . 1 . 1 307 307 GLU H H 1 9.556 0.020 . 1 . . . . . 297 E HN . 51894 1 146 . 1 . 1 307 307 GLU N N 15 120.916 0.100 . 1 . . . . . 297 E N . 51894 1 147 . 1 . 1 310 310 GLY H H 1 10.026 0.020 . 1 . . . . . 300 G HN . 51894 1 148 . 1 . 1 310 310 GLY N N 15 117.034 0.100 . 1 . . . . . 300 G N . 51894 1 149 . 1 . 1 313 313 VAL H H 1 9.223 0.020 . 1 . . . . . 303 V HN . 51894 1 150 . 1 . 1 313 313 VAL N N 15 118.462 0.100 . 1 . . . . . 303 V N . 51894 1 151 . 1 . 1 314 314 PHE H H 1 9.148 0.020 . 1 . . . . . 304 F HN . 51894 1 152 . 1 . 1 314 314 PHE N N 15 128.271 0.100 . 1 . . . . . 304 F N . 51894 1 153 . 1 . 1 315 315 LYS H H 1 8.042 0.020 . 1 . . . . . 305 K HN . 51894 1 154 . 1 . 1 315 315 LYS N N 15 129.787 0.100 . 1 . . . . . 305 K N . 51894 1 155 . 1 . 1 323 323 GLY H H 1 10.505 0.020 . 1 . . . . . 313 G HN . 51894 1 156 . 1 . 1 323 323 GLY N N 15 120.535 0.100 . 1 . . . . . 313 G N . 51894 1 157 . 1 . 1 326 326 THR H H 1 7.981 0.020 . 1 . . . . . 316 T HN . 51894 1 158 . 1 . 1 326 326 THR N N 15 109.640 0.100 . 1 . . . . . 316 T N . 51894 1 159 . 1 . 1 333 333 VAL H H 1 8.722 0.020 . 1 . . . . . 323 V HN . 51894 1 160 . 1 . 1 333 333 VAL N N 15 125.924 0.100 . 1 . . . . . 323 V N . 51894 1 161 . 1 . 1 335 335 THR H H 1 9.173 0.020 . 1 . . . . . 325 T HN . 51894 1 162 . 1 . 1 335 335 THR N N 15 117.767 0.100 . 1 . . . . . 325 T N . 51894 1 163 . 1 . 1 337 337 THR H H 1 8.892 0.020 . 1 . . . . . 327 T HN . 51894 1 164 . 1 . 1 337 337 THR N N 15 111.537 0.100 . 1 . . . . . 327 T N . 51894 1 165 . 1 . 1 339 339 ASN H H 1 8.441 0.020 . 1 . . . . . 329 N HN . 51894 1 166 . 1 . 1 339 339 ASN N N 15 118.843 0.100 . 1 . . . . . 329 N N . 51894 1 167 . 1 . 1 340 340 ARG H H 1 8.676 0.020 . 1 . . . . . 330 R HN . 51894 1 168 . 1 . 1 340 340 ARG N N 15 122.794 0.100 . 1 . . . . . 330 R N . 51894 1 169 . 1 . 1 342 342 GLU H H 1 8.581 0.020 . 1 . . . . . 332 E HN . 51894 1 170 . 1 . 1 342 342 GLU N N 15 120.217 0.100 . 1 . . . . . 332 E N . 51894 1 171 . 1 . 1 349 349 PHE H H 1 7.705 0.020 . 1 . . . . . 339 F HN . 51894 1 172 . 1 . 1 349 349 PHE N N 15 120.261 0.100 . 1 . . . . . 339 F N . 51894 1 173 . 1 . 1 350 350 ARG H H 1 7.611 0.020 . 1 . . . . . 340 R HN . 51894 1 174 . 1 . 1 350 350 ARG N N 15 122.775 0.100 . 1 . . . . . 340 R N . 51894 1 175 . 1 . 1 355 355 LEU H H 1 7.259 0.020 . 1 . . . . . 345 L HN . 51894 1 176 . 1 . 1 355 355 LEU N N 15 115.576 0.100 . 1 . . . . . 345 L N . 51894 1 177 . 1 . 1 358 358 LEU H H 1 7.357 0.020 . 1 . . . . . 348 L HN . 51894 1 178 . 1 . 1 358 358 LEU N N 15 120.193 0.100 . 1 . . . . . 348 L N . 51894 1 179 . 1 . 1 364 364 ASP H H 1 8.289 0.020 . 1 . . . . . 354 D HN . 51894 1 180 . 1 . 1 364 364 ASP N N 15 119.244 0.100 . 1 . . . . . 354 D N . 51894 1 181 . 1 . 1 365 365 ARG H H 1 8.367 0.020 . 1 . . . . . 355 R HN . 51894 1 182 . 1 . 1 365 365 ARG N N 15 124.340 0.100 . 1 . . . . . 355 R N . 51894 1 183 . 1 . 1 370 370 GLU H H 1 8.691 0.020 . 1 . . . . . 360 E HN . 51894 1 184 . 1 . 1 370 370 GLU N N 15 121.264 0.100 . 1 . . . . . 360 E N . 51894 1 185 . 1 . 1 371 371 THR H H 1 8.291 0.020 . 1 . . . . . 361 T HN . 51894 1 186 . 1 . 1 371 371 THR N N 15 115.073 0.100 . 1 . . . . . 361 T N . 51894 1 187 . 1 . 1 394 394 ALA H H 1 8.330 0.020 . 1 . . . . . 384 A HN . 51894 1 188 . 1 . 1 394 394 ALA N N 15 126.046 0.100 . 1 . . . . . 384 A N . 51894 1 189 . 1 . 1 395 395 SER H H 1 8.211 0.020 . 1 . . . . . 385 S HN . 51894 1 190 . 1 . 1 395 395 SER N N 15 114.861 0.100 . 1 . . . . . 385 S N . 51894 1 191 . 1 . 1 396 396 ALA H H 1 8.349 0.020 . 1 . . . . . 386 A HN . 51894 1 192 . 1 . 1 396 396 ALA N N 15 126.069 0.100 . 1 . . . . . 386 A N . 51894 1 193 . 1 . 1 397 397 ASP H H 1 8.301 0.020 . 1 . . . . . 387 D HN . 51894 1 194 . 1 . 1 397 397 ASP N N 15 117.974 0.100 . 1 . . . . . 387 D N . 51894 1 195 . 1 . 1 398 398 LYS H H 1 8.113 0.020 . 1 . . . . . 388 K HN . 51894 1 196 . 1 . 1 398 398 LYS N N 15 119.059 0.100 . 1 . . . . . 388 K N . 51894 1 197 . 1 . 1 400 400 LEU H H 1 8.094 0.020 . 1 . . . . . 390 L HN . 51894 1 198 . 1 . 1 400 400 LEU N N 15 113.562 0.100 . 1 . . . . . 390 L N . 51894 1 199 . 1 . 1 401 401 SER H H 1 7.334 0.020 . 1 . . . . . 391 S HN . 51894 1 200 . 1 . 1 401 401 SER N N 15 112.991 0.100 . 1 . . . . . 391 S N . 51894 1 201 . 1 . 1 402 402 ASN H H 1 8.581 0.020 . 1 . . . . . 392 N HN . 51894 1 202 . 1 . 1 402 402 ASN N N 15 116.995 0.100 . 1 . . . . . 392 N N . 51894 1 203 . 1 . 1 403 403 MET H H 1 8.231 0.020 . 1 . . . . . 393 M HN . 51894 1 204 . 1 . 1 403 403 MET N N 15 117.876 0.100 . 1 . . . . . 393 M N . 51894 1 205 . 1 . 1 404 404 LYS H H 1 8.401 0.020 . 1 . . . . . 394 K HN . 51894 1 206 . 1 . 1 404 404 LYS N N 15 122.263 0.100 . 1 . . . . . 394 K N . 51894 1 207 . 1 . 1 405 405 ILE H H 1 9.455 0.020 . 1 . . . . . 395 I HN . 51894 1 208 . 1 . 1 405 405 ILE N N 15 125.547 0.100 . 1 . . . . . 395 I N . 51894 1 209 . 1 . 1 406 406 LEU H H 1 8.307 0.020 . 1 . . . . . 396 L HN . 51894 1 210 . 1 . 1 406 406 LEU N N 15 129.764 0.100 . 1 . . . . . 396 L N . 51894 1 211 . 1 . 1 407 407 THR H H 1 8.852 0.020 . 1 . . . . . 397 T HN . 51894 1 212 . 1 . 1 407 407 THR N N 15 117.505 0.100 . 1 . . . . . 397 T N . 51894 1 213 . 1 . 1 408 408 LEU H H 1 8.202 0.020 . 1 . . . . . 398 L HN . 51894 1 214 . 1 . 1 408 408 LEU N N 15 122.202 0.100 . 1 . . . . . 398 L N . 51894 1 215 . 1 . 1 409 409 GLY H H 1 8.838 0.020 . 1 . . . . . 399 G HN . 51894 1 216 . 1 . 1 409 409 GLY N N 15 112.889 0.100 . 1 . . . . . 399 G N . 51894 1 217 . 1 . 1 410 410 LYS H H 1 8.351 0.020 . 1 . . . . . 400 K HN . 51894 1 218 . 1 . 1 410 410 LYS N N 15 120.012 0.100 . 1 . . . . . 400 K N . 51894 1 219 . 1 . 1 411 411 LEU H H 1 8.307 0.020 . 1 . . . . . 401 L HN . 51894 1 220 . 1 . 1 411 411 LEU N N 15 128.288 0.100 . 1 . . . . . 401 L N . 51894 1 221 . 1 . 1 412 412 SER H H 1 10.748 0.020 . 1 . . . . . 402 S HN . 51894 1 222 . 1 . 1 412 412 SER N N 15 119.785 0.100 . 1 . . . . . 402 S N . 51894 1 223 . 1 . 1 413 413 ARG H H 1 7.523 0.020 . 1 . . . . . 403 R HN . 51894 1 224 . 1 . 1 413 413 ARG N N 15 121.365 0.100 . 1 . . . . . 403 R N . 51894 1 225 . 1 . 1 414 414 ASN H H 1 8.741 0.020 . 1 . . . . . 404 N HN . 51894 1 226 . 1 . 1 414 414 ASN N N 15 118.870 0.100 . 1 . . . . . 404 N N . 51894 1 227 . 1 . 1 415 415 LYS H H 1 8.670 0.020 . 1 . . . . . 405 K HN . 51894 1 228 . 1 . 1 415 415 LYS N N 15 120.562 0.100 . 1 . . . . . 405 K N . 51894 1 229 . 1 . 1 416 416 ASP H H 1 8.292 0.020 . 1 . . . . . 406 D HN . 51894 1 230 . 1 . 1 416 416 ASP N N 15 119.609 0.100 . 1 . . . . . 406 D N . 51894 1 231 . 1 . 1 417 417 GLU H H 1 8.052 0.020 . 1 . . . . . 407 E HN . 51894 1 232 . 1 . 1 417 417 GLU N N 15 122.963 0.100 . 1 . . . . . 407 E N . 51894 1 233 . 1 . 1 418 418 VAL H H 1 8.324 0.020 . 1 . . . . . 408 V HN . 51894 1 234 . 1 . 1 418 418 VAL N N 15 121.054 0.100 . 1 . . . . . 408 V N . 51894 1 235 . 1 . 1 419 419 LYS H H 1 8.044 0.020 . 1 . . . . . 409 K HN . 51894 1 236 . 1 . 1 419 419 LYS N N 15 120.111 0.100 . 1 . . . . . 409 K N . 51894 1 237 . 1 . 1 420 420 ALA H H 1 7.719 0.020 . 1 . . . . . 410 A HN . 51894 1 238 . 1 . 1 420 420 ALA N N 15 118.775 0.100 . 1 . . . . . 410 A N . 51894 1 239 . 1 . 1 421 421 MET H H 1 8.021 0.020 . 1 . . . . . 411 M HN . 51894 1 240 . 1 . 1 421 421 MET N N 15 118.463 0.100 . 1 . . . . . 411 M N . 51894 1 241 . 1 . 1 422 422 ILE H H 1 8.273 0.020 . 1 . . . . . 412 I HN . 51894 1 242 . 1 . 1 422 422 ILE N N 15 118.302 0.100 . 1 . . . . . 412 I N . 51894 1 243 . 1 . 1 423 423 GLU H H 1 8.535 0.020 . 1 . . . . . 413 E HN . 51894 1 244 . 1 . 1 423 423 GLU N N 15 118.922 0.100 . 1 . . . . . 413 E N . 51894 1 245 . 1 . 1 424 424 LYS H H 1 8.312 0.020 . 1 . . . . . 414 K HN . 51894 1 246 . 1 . 1 424 424 LYS N N 15 123.440 0.100 . 1 . . . . . 414 K N . 51894 1 247 . 1 . 1 425 425 LEU H H 1 7.277 0.020 . 1 . . . . . 415 L HN . 51894 1 248 . 1 . 1 425 425 LEU N N 15 115.920 0.100 . 1 . . . . . 415 L N . 51894 1 249 . 1 . 1 426 426 GLY H H 1 7.920 0.020 . 1 . . . . . 416 G HN . 51894 1 250 . 1 . 1 426 426 GLY N N 15 106.772 0.100 . 1 . . . . . 416 G N . 51894 1 251 . 1 . 1 427 427 GLY H H 1 8.073 0.020 . 1 . . . . . 417 G HN . 51894 1 252 . 1 . 1 427 427 GLY N N 15 108.159 0.100 . 1 . . . . . 417 G N . 51894 1 253 . 1 . 1 428 428 LYS H H 1 7.763 0.020 . 1 . . . . . 418 K HN . 51894 1 254 . 1 . 1 428 428 LYS N N 15 115.697 0.100 . 1 . . . . . 418 K N . 51894 1 255 . 1 . 1 429 429 LEU H H 1 9.308 0.020 . 1 . . . . . 419 L HN . 51894 1 256 . 1 . 1 429 429 LEU N N 15 124.630 0.100 . 1 . . . . . 419 L N . 51894 1 257 . 1 . 1 430 430 THR H H 1 8.430 0.020 . 1 . . . . . 420 T HN . 51894 1 258 . 1 . 1 430 430 THR N N 15 117.478 0.100 . 1 . . . . . 420 T N . 51894 1 259 . 1 . 1 432 432 THR H H 1 8.021 0.020 . 1 . . . . . 422 T HN . 51894 1 260 . 1 . 1 432 432 THR N N 15 117.308 0.100 . 1 . . . . . 422 T N . 51894 1 261 . 1 . 1 433 433 ALA H H 1 8.989 0.020 . 1 . . . . . 423 A HN . 51894 1 262 . 1 . 1 433 433 ALA N N 15 128.688 0.100 . 1 . . . . . 423 A N . 51894 1 263 . 1 . 1 434 434 ASN H H 1 8.235 0.020 . 1 . . . . . 424 N HN . 51894 1 264 . 1 . 1 434 434 ASN N N 15 111.182 0.100 . 1 . . . . . 424 N N . 51894 1 265 . 1 . 1 435 435 LYS H H 1 7.545 0.020 . 1 . . . . . 425 K HN . 51894 1 266 . 1 . 1 435 435 LYS N N 15 116.957 0.100 . 1 . . . . . 425 K N . 51894 1 267 . 1 . 1 436 436 ALA H H 1 7.509 0.020 . 1 . . . . . 426 A HN . 51894 1 268 . 1 . 1 436 436 ALA N N 15 122.018 0.100 . 1 . . . . . 426 A N . 51894 1 269 . 1 . 1 437 437 SER H H 1 9.622 0.020 . 1 . . . . . 427 S HN . 51894 1 270 . 1 . 1 437 437 SER N N 15 113.616 0.100 . 1 . . . . . 427 S N . 51894 1 271 . 1 . 1 438 438 LEU H H 1 7.695 0.020 . 1 . . . . . 428 L HN . 51894 1 272 . 1 . 1 438 438 LEU N N 15 118.819 0.100 . 1 . . . . . 428 L N . 51894 1 273 . 1 . 1 439 439 CYS H H 1 8.645 0.020 . 1 . . . . . 429 C HN . 51894 1 274 . 1 . 1 439 439 CYS N N 15 124.467 0.100 . 1 . . . . . 429 C N . 51894 1 275 . 1 . 1 440 440 ILE H H 1 9.032 0.020 . 1 . . . . . 430 I HN . 51894 1 276 . 1 . 1 440 440 ILE N N 15 129.603 0.100 . 1 . . . . . 430 I N . 51894 1 277 . 1 . 1 441 441 SER H H 1 8.327 0.020 . 1 . . . . . 431 S HN . 51894 1 278 . 1 . 1 441 441 SER N N 15 120.241 0.100 . 1 . . . . . 431 S N . 51894 1 279 . 1 . 1 442 442 THR H H 1 8.833 0.020 . 1 . . . . . 432 T HN . 51894 1 280 . 1 . 1 442 442 THR N N 15 107.829 0.100 . 1 . . . . . 432 T N . 51894 1 281 . 1 . 1 443 443 LYS H H 1 9.073 0.020 . 1 . . . . . 433 K HN . 51894 1 282 . 1 . 1 443 443 LYS N N 15 122.999 0.100 . 1 . . . . . 433 K N . 51894 1 283 . 1 . 1 444 444 LYS H H 1 8.220 0.020 . 1 . . . . . 434 K HN . 51894 1 284 . 1 . 1 444 444 LYS N N 15 117.114 0.100 . 1 . . . . . 434 K N . 51894 1 285 . 1 . 1 445 445 GLU H H 1 7.602 0.020 . 1 . . . . . 435 E HN . 51894 1 286 . 1 . 1 445 445 GLU N N 15 118.628 0.100 . 1 . . . . . 435 E N . 51894 1 287 . 1 . 1 446 446 VAL H H 1 7.960 0.020 . 1 . . . . . 436 V HN . 51894 1 288 . 1 . 1 446 446 VAL N N 15 121.908 0.100 . 1 . . . . . 436 V N . 51894 1 289 . 1 . 1 447 447 GLU H H 1 8.055 0.020 . 1 . . . . . 437 E HN . 51894 1 290 . 1 . 1 447 447 GLU N N 15 117.375 0.100 . 1 . . . . . 437 E N . 51894 1 291 . 1 . 1 448 448 LYS H H 1 7.897 0.020 . 1 . . . . . 438 K HN . 51894 1 292 . 1 . 1 448 448 LYS N N 15 118.873 0.100 . 1 . . . . . 438 K N . 51894 1 293 . 1 . 1 449 449 MET H H 1 7.503 0.020 . 1 . . . . . 439 M HN . 51894 1 294 . 1 . 1 449 449 MET N N 15 113.649 0.100 . 1 . . . . . 439 M N . 51894 1 295 . 1 . 1 450 450 ASN H H 1 8.996 0.020 . 1 . . . . . 440 N HN . 51894 1 296 . 1 . 1 450 450 ASN N N 15 118.530 0.100 . 1 . . . . . 440 N N . 51894 1 297 . 1 . 1 451 451 LYS H H 1 8.179 0.020 . 1 . . . . . 441 K HN . 51894 1 298 . 1 . 1 451 451 LYS N N 15 117.129 0.100 . 1 . . . . . 441 K N . 51894 1 299 . 1 . 1 452 452 LYS H H 1 7.849 0.020 . 1 . . . . . 442 K HN . 51894 1 300 . 1 . 1 452 452 LYS N N 15 117.562 0.100 . 1 . . . . . 442 K N . 51894 1 301 . 1 . 1 453 453 MET H H 1 8.029 0.020 . 1 . . . . . 443 M HN . 51894 1 302 . 1 . 1 453 453 MET N N 15 120.903 0.100 . 1 . . . . . 443 M N . 51894 1 303 . 1 . 1 454 454 GLU H H 1 8.666 0.020 . 1 . . . . . 444 E HN . 51894 1 304 . 1 . 1 454 454 GLU N N 15 121.044 0.100 . 1 . . . . . 444 E N . 51894 1 305 . 1 . 1 455 455 GLU H H 1 7.603 0.020 . 1 . . . . . 445 E HN . 51894 1 306 . 1 . 1 455 455 GLU N N 15 118.937 0.100 . 1 . . . . . 445 E N . 51894 1 307 . 1 . 1 456 456 VAL H H 1 7.346 0.020 . 1 . . . . . 446 V HN . 51894 1 308 . 1 . 1 456 456 VAL N N 15 122.622 0.100 . 1 . . . . . 446 V N . 51894 1 309 . 1 . 1 457 457 LYS H H 1 7.742 0.020 . 1 . . . . . 447 K HN . 51894 1 310 . 1 . 1 457 457 LYS N N 15 120.936 0.100 . 1 . . . . . 447 K N . 51894 1 311 . 1 . 1 458 458 GLU H H 1 8.391 0.020 . 1 . . . . . 448 E HN . 51894 1 312 . 1 . 1 458 458 GLU N N 15 120.969 0.100 . 1 . . . . . 448 E N . 51894 1 313 . 1 . 1 459 459 ALA H H 1 7.349 0.020 . 1 . . . . . 449 A HN . 51894 1 314 . 1 . 1 459 459 ALA N N 15 119.347 0.100 . 1 . . . . . 449 A N . 51894 1 315 . 1 . 1 460 460 ASN H H 1 8.081 0.020 . 1 . . . . . 450 N HN . 51894 1 316 . 1 . 1 460 460 ASN N N 15 118.265 0.100 . 1 . . . . . 450 N N . 51894 1 317 . 1 . 1 461 461 ILE H H 1 7.603 0.020 . 1 . . . . . 451 I HN . 51894 1 318 . 1 . 1 461 461 ILE N N 15 117.835 0.100 . 1 . . . . . 451 I N . 51894 1 319 . 1 . 1 462 462 ARG H H 1 8.593 0.020 . 1 . . . . . 452 R HN . 51894 1 320 . 1 . 1 462 462 ARG N N 15 125.000 0.100 . 1 . . . . . 452 R N . 51894 1 321 . 1 . 1 463 463 VAL H H 1 7.612 0.020 . 1 . . . . . 453 V HN . 51894 1 322 . 1 . 1 463 463 VAL N N 15 121.230 0.100 . 1 . . . . . 453 V N . 51894 1 323 . 1 . 1 464 464 VAL H H 1 9.104 0.020 . 1 . . . . . 454 V HN . 51894 1 324 . 1 . 1 464 464 VAL N N 15 119.301 0.100 . 1 . . . . . 454 V N . 51894 1 325 . 1 . 1 465 465 SER H H 1 8.351 0.020 . 1 . . . . . 455 S HN . 51894 1 326 . 1 . 1 465 465 SER N N 15 114.327 0.100 . 1 . . . . . 455 S N . 51894 1 327 . 1 . 1 466 466 GLU H H 1 9.200 0.020 . 1 . . . . . 456 E HN . 51894 1 328 . 1 . 1 466 466 GLU N N 15 122.006 0.100 . 1 . . . . . 456 E N . 51894 1 329 . 1 . 1 467 467 ASP H H 1 8.306 0.020 . 1 . . . . . 457 D HN . 51894 1 330 . 1 . 1 467 467 ASP N N 15 120.226 0.100 . 1 . . . . . 457 D N . 51894 1 331 . 1 . 1 468 468 PHE H H 1 7.653 0.020 . 1 . . . . . 458 F HN . 51894 1 332 . 1 . 1 468 468 PHE N N 15 119.560 0.100 . 1 . . . . . 458 F N . 51894 1 333 . 1 . 1 469 469 LEU H H 1 7.424 0.020 . 1 . . . . . 459 L HN . 51894 1 334 . 1 . 1 469 469 LEU N N 15 114.886 0.100 . 1 . . . . . 459 L N . 51894 1 335 . 1 . 1 470 470 GLN H H 1 7.114 0.020 . 1 . . . . . 460 Q HN . 51894 1 336 . 1 . 1 470 470 GLN N N 15 116.840 0.100 . 1 . . . . . 460 Q N . 51894 1 337 . 1 . 1 471 471 ASP H H 1 7.589 0.020 . 1 . . . . . 461 D HN . 51894 1 338 . 1 . 1 471 471 ASP N N 15 119.746 0.100 . 1 . . . . . 461 D N . 51894 1 339 . 1 . 1 472 472 VAL H H 1 8.159 0.020 . 1 . . . . . 462 V HN . 51894 1 340 . 1 . 1 472 472 VAL N N 15 119.049 0.100 . 1 . . . . . 462 V N . 51894 1 341 . 1 . 1 473 473 SER H H 1 7.167 0.020 . 1 . . . . . 463 S HN . 51894 1 342 . 1 . 1 473 473 SER N N 15 113.806 0.100 . 1 . . . . . 463 S N . 51894 1 343 . 1 . 1 474 474 ALA H H 1 7.566 0.020 . 1 . . . . . 464 A HN . 51894 1 344 . 1 . 1 474 474 ALA N N 15 122.181 0.100 . 1 . . . . . 464 A N . 51894 1 345 . 1 . 1 475 475 SER H H 1 7.967 0.020 . 1 . . . . . 465 S HN . 51894 1 346 . 1 . 1 475 475 SER N N 15 113.681 0.100 . 1 . . . . . 465 S N . 51894 1 347 . 1 . 1 476 476 THR H H 1 8.349 0.020 . 1 . . . . . 466 T HN . 51894 1 348 . 1 . 1 476 476 THR N N 15 113.271 0.100 . 1 . . . . . 466 T N . 51894 1 349 . 1 . 1 477 477 LYS H H 1 8.034 0.020 . 1 . . . . . 467 K HN . 51894 1 350 . 1 . 1 477 477 LYS N N 15 122.574 0.100 . 1 . . . . . 467 K N . 51894 1 351 . 1 . 1 478 478 SER H H 1 8.530 0.020 . 1 . . . . . 468 S HN . 51894 1 352 . 1 . 1 478 478 SER N N 15 116.086 0.100 . 1 . . . . . 468 S N . 51894 1 353 . 1 . 1 479 479 LEU H H 1 8.716 0.020 . 1 . . . . . 469 L HN . 51894 1 354 . 1 . 1 479 479 LEU N N 15 122.481 0.100 . 1 . . . . . 469 L N . 51894 1 355 . 1 . 1 480 480 GLN H H 1 8.247 0.020 . 1 . . . . . 470 Q HN . 51894 1 356 . 1 . 1 480 480 GLN N N 15 114.712 0.100 . 1 . . . . . 470 Q N . 51894 1 357 . 1 . 1 481 481 GLU H H 1 7.651 0.020 . 1 . . . . . 471 E HN . 51894 1 358 . 1 . 1 481 481 GLU N N 15 118.579 0.100 . 1 . . . . . 471 E N . 51894 1 359 . 1 . 1 482 482 LEU H H 1 8.237 0.020 . 1 . . . . . 472 L HN . 51894 1 360 . 1 . 1 482 482 LEU N N 15 122.056 0.100 . 1 . . . . . 472 L N . 51894 1 361 . 1 . 1 483 483 PHE H H 1 8.885 0.020 . 1 . . . . . 473 F HN . 51894 1 362 . 1 . 1 483 483 PHE N N 15 118.706 0.100 . 1 . . . . . 473 F N . 51894 1 363 . 1 . 1 484 484 LEU H H 1 7.420 0.020 . 1 . . . . . 474 L HN . 51894 1 364 . 1 . 1 484 484 LEU N N 15 116.253 0.100 . 1 . . . . . 474 L N . 51894 1 365 . 1 . 1 485 485 ALA H H 1 7.680 0.020 . 1 . . . . . 475 A HN . 51894 1 366 . 1 . 1 485 485 ALA N N 15 119.023 0.100 . 1 . . . . . 475 A N . 51894 1 367 . 1 . 1 486 486 HIS H H 1 7.509 0.020 . 1 . . . . . 476 H HN . 51894 1 368 . 1 . 1 486 486 HIS N N 15 112.207 0.100 . 1 . . . . . 476 H N . 51894 1 369 . 1 . 1 487 487 ILE H H 1 7.398 0.020 . 1 . . . . . 477 I HN . 51894 1 370 . 1 . 1 487 487 ILE N N 15 121.107 0.100 . 1 . . . . . 477 I N . 51894 1 371 . 1 . 1 488 488 LEU H H 1 9.287 0.020 . 1 . . . . . 478 L HN . 51894 1 372 . 1 . 1 488 488 LEU N N 15 123.820 0.100 . 1 . . . . . 478 L N . 51894 1 373 . 1 . 1 489 489 SER H H 1 7.407 0.020 . 1 . . . . . 479 S HN . 51894 1 374 . 1 . 1 489 489 SER N N 15 111.212 0.100 . 1 . . . . . 479 S N . 51894 1 375 . 1 . 1 491 491 TRP H H 1 6.433 0.020 . 1 . . . . . 481 W HN . 51894 1 376 . 1 . 1 491 491 TRP N N 15 115.265 0.100 . 1 . . . . . 481 W N . 51894 1 377 . 1 . 1 492 492 GLY H H 1 8.480 0.020 . 1 . . . . . 482 G HN . 51894 1 378 . 1 . 1 492 492 GLY N N 15 108.028 0.100 . 1 . . . . . 482 G N . 51894 1 379 . 1 . 1 493 493 ALA H H 1 8.037 0.020 . 1 . . . . . 483 A HN . 51894 1 380 . 1 . 1 493 493 ALA N N 15 123.571 0.100 . 1 . . . . . 483 A N . 51894 1 381 . 1 . 1 494 494 GLU H H 1 8.485 0.020 . 1 . . . . . 484 E HN . 51894 1 382 . 1 . 1 494 494 GLU N N 15 120.407 0.100 . 1 . . . . . 484 E N . 51894 1 383 . 1 . 1 495 495 VAL H H 1 8.300 0.020 . 1 . . . . . 485 V HN . 51894 1 384 . 1 . 1 495 495 VAL N N 15 123.283 0.100 . 1 . . . . . 485 V N . 51894 1 385 . 1 . 1 496 496 LYS H H 1 8.499 0.020 . 1 . . . . . 486 K HN . 51894 1 386 . 1 . 1 496 496 LYS N N 15 126.721 0.100 . 1 . . . . . 486 K N . 51894 1 387 . 1 . 1 497 497 ALA H H 1 8.417 0.020 . 1 . . . . . 487 A HN . 51894 1 388 . 1 . 1 497 497 ALA N N 15 126.613 0.100 . 1 . . . . . 487 A N . 51894 1 389 . 1 . 1 498 498 GLU H H 1 8.393 0.020 . 1 . . . . . 488 E HN . 51894 1 390 . 1 . 1 498 498 GLU N N 15 122.258 0.100 . 1 . . . . . 488 E N . 51894 1 391 . 1 . 1 500 500 VAL H H 1 8.222 0.020 . 1 . . . . . 490 V HN . 51894 1 392 . 1 . 1 500 500 VAL N N 15 120.621 0.100 . 1 . . . . . 490 V N . 51894 1 393 . 1 . 1 501 501 GLU H H 1 8.478 0.020 . 1 . . . . . 491 E HN . 51894 1 394 . 1 . 1 501 501 GLU N N 15 124.951 0.100 . 1 . . . . . 491 E N . 51894 1 395 . 1 . 1 502 502 VAL H H 1 8.305 0.020 . 1 . . . . . 492 V HN . 51894 1 396 . 1 . 1 502 502 VAL N N 15 123.001 0.100 . 1 . . . . . 492 V N . 51894 1 397 . 1 . 1 503 503 VAL H H 1 8.249 0.020 . 1 . . . . . 493 V HN . 51894 1 398 . 1 . 1 503 503 VAL N N 15 125.060 0.100 . 1 . . . . . 493 V N . 51894 1 399 . 1 . 1 504 504 ALA H H 1 8.407 0.020 . 1 . . . . . 494 A HN . 51894 1 400 . 1 . 1 504 504 ALA N N 15 129.692 0.100 . 1 . . . . . 494 A N . 51894 1 401 . 1 . 1 506 506 ARG H H 1 8.470 0.020 . 1 . . . . . 496 R HN . 51894 1 402 . 1 . 1 506 506 ARG N N 15 121.393 0.100 . 1 . . . . . 496 R N . 51894 1 403 . 1 . 1 507 507 GLY H H 1 8.453 0.020 . 1 . . . . . 497 G HN . 51894 1 404 . 1 . 1 507 507 GLY N N 15 109.958 0.100 . 1 . . . . . 497 G N . 51894 1 405 . 1 . 1 508 508 LYS H H 1 8.291 0.020 . 1 . . . . . 498 K HN . 51894 1 406 . 1 . 1 508 508 LYS N N 15 121.113 0.100 . 1 . . . . . 498 K N . 51894 1 407 . 1 . 1 510 510 GLY H H 1 8.495 0.020 . 1 . . . . . 500 G HN . 51894 1 408 . 1 . 1 510 510 GLY N N 15 111.077 0.100 . 1 . . . . . 500 G N . 51894 1 409 . 1 . 1 511 511 ALA H H 1 8.126 0.020 . 1 . . . . . 501 A HN . 51894 1 410 . 1 . 1 511 511 ALA N N 15 123.841 0.100 . 1 . . . . . 501 A N . 51894 1 411 . 1 . 1 512 512 ALA H H 1 8.275 0.020 . 1 . . . . . 502 A HN . 51894 1 412 . 1 . 1 512 512 ALA N N 15 122.972 0.100 . 1 . . . . . 502 A N . 51894 1 413 . 1 . 1 513 513 LEU H H 1 8.162 0.020 . 1 . . . . . 503 L HN . 51894 1 414 . 1 . 1 513 513 LEU N N 15 121.068 0.100 . 1 . . . . . 503 L N . 51894 1 415 . 1 . 1 514 514 SER H H 1 8.213 0.020 . 1 . . . . . 504 S HN . 51894 1 416 . 1 . 1 514 514 SER N N 15 116.316 0.100 . 1 . . . . . 504 S N . 51894 1 417 . 1 . 1 516 516 LYS H H 1 8.184 0.020 . 1 . . . . . 506 K HN . 51894 1 418 . 1 . 1 516 516 LYS N N 15 121.919 0.100 . 1 . . . . . 506 K N . 51894 1 419 . 1 . 1 517 517 SER H H 1 8.343 0.020 . 1 . . . . . 507 S HN . 51894 1 420 . 1 . 1 517 517 SER N N 15 117.329 0.100 . 1 . . . . . 507 S N . 51894 1 421 . 1 . 1 518 518 LYS H H 1 8.417 0.020 . 1 . . . . . 508 K HN . 51894 1 422 . 1 . 1 518 518 LYS N N 15 123.513 0.100 . 1 . . . . . 508 K N . 51894 1 423 . 1 . 1 519 519 GLY H H 1 8.419 0.020 . 1 . . . . . 509 G HN . 51894 1 424 . 1 . 1 519 519 GLY N N 15 109.870 0.100 . 1 . . . . . 509 G N . 51894 1 425 . 1 . 1 522 522 LYS H H 1 8.444 0.020 . 1 . . . . . 512 K HN . 51894 1 426 . 1 . 1 522 522 LYS N N 15 125.626 0.100 . 1 . . . . . 512 K N . 51894 1 427 . 1 . 1 523 523 GLU H H 1 8.496 0.020 . 1 . . . . . 513 E HN . 51894 1 428 . 1 . 1 523 523 GLU N N 15 123.103 0.100 . 1 . . . . . 513 E N . 51894 1 429 . 1 . 1 524 524 GLU H H 1 8.524 0.020 . 1 . . . . . 514 E HN . 51894 1 430 . 1 . 1 524 524 GLU N N 15 122.490 0.100 . 1 . . . . . 514 E N . 51894 1 431 . 1 . 1 525 525 GLY H H 1 8.495 0.020 . 1 . . . . . 515 G HN . 51894 1 432 . 1 . 1 525 525 GLY N N 15 109.938 0.100 . 1 . . . . . 515 G N . 51894 1 433 . 1 . 1 526 526 ILE H H 1 7.963 0.020 . 1 . . . . . 516 I HN . 51894 1 434 . 1 . 1 526 526 ILE N N 15 119.700 0.100 . 1 . . . . . 516 I N . 51894 1 435 . 1 . 1 527 527 ASN H H 1 8.558 0.020 . 1 . . . . . 517 N HN . 51894 1 436 . 1 . 1 527 527 ASN N N 15 122.417 0.100 . 1 . . . . . 517 N N . 51894 1 437 . 1 . 1 528 528 LYS H H 1 8.369 0.020 . 1 . . . . . 518 K HN . 51894 1 438 . 1 . 1 528 528 LYS N N 15 122.570 0.100 . 1 . . . . . 518 K N . 51894 1 439 . 1 . 1 529 529 SER H H 1 8.343 0.020 . 1 . . . . . 519 S HN . 51894 1 440 . 1 . 1 529 529 SER N N 15 116.562 0.100 . 1 . . . . . 519 S N . 51894 1 441 . 1 . 1 530 530 GLU H H 1 8.310 0.020 . 1 . . . . . 520 E HN . 51894 1 442 . 1 . 1 530 530 GLU N N 15 122.957 0.100 . 1 . . . . . 520 E N . 51894 1 443 . 1 . 1 539 539 GLY H H 1 8.440 0.020 . 1 . . . . . 529 G HN . 51894 1 444 . 1 . 1 539 539 GLY N N 15 110.315 0.100 . 1 . . . . . 529 G N . 51894 1 445 . 1 . 1 540 540 GLY H H 1 8.371 0.020 . 1 . . . . . 530 G HN . 51894 1 446 . 1 . 1 540 540 GLY N N 15 108.936 0.100 . 1 . . . . . 530 G N . 51894 1 447 . 1 . 1 541 541 ALA H H 1 8.238 0.020 . 1 . . . . . 531 A HN . 51894 1 448 . 1 . 1 541 541 ALA N N 15 122.765 0.100 . 1 . . . . . 531 A N . 51894 1 449 . 1 . 1 553 553 ALA H H 1 7.819 0.020 . 1 . . . . . 543 A HN . 51894 1 450 . 1 . 1 553 553 ALA N N 15 124.574 0.100 . 1 . . . . . 543 A N . 51894 1 451 . 1 . 1 554 554 HIS H H 1 8.062 0.020 . 1 . . . . . 544 H HN . 51894 1 452 . 1 . 1 554 554 HIS N N 15 111.508 0.100 . 1 . . . . . 544 H N . 51894 1 453 . 1 . 1 555 555 VAL H H 1 9.150 0.020 . 1 . . . . . 545 V HN . 51894 1 454 . 1 . 1 555 555 VAL N N 15 122.863 0.100 . 1 . . . . . 545 V N . 51894 1 455 . 1 . 1 560 560 GLY H H 1 9.009 0.020 . 1 . . . . . 550 G HN . 51894 1 456 . 1 . 1 560 560 GLY N N 15 107.156 0.100 . 1 . . . . . 550 G N . 51894 1 457 . 1 . 1 561 561 LYS H H 1 7.693 0.020 . 1 . . . . . 551 K HN . 51894 1 458 . 1 . 1 561 561 LYS N N 15 119.968 0.100 . 1 . . . . . 551 K N . 51894 1 459 . 1 . 1 566 566 THR H H 1 9.108 0.020 . 1 . . . . . 556 T HN . 51894 1 460 . 1 . 1 566 566 THR N N 15 120.457 0.100 . 1 . . . . . 556 T N . 51894 1 461 . 1 . 1 568 568 GLY H H 1 9.395 0.020 . 1 . . . . . 558 G HN . 51894 1 462 . 1 . 1 568 568 GLY N N 15 108.359 0.100 . 1 . . . . . 558 G N . 51894 1 463 . 1 . 1 575 575 GLY H H 1 8.151 0.020 . 1 . . . . . 565 G HN . 51894 1 464 . 1 . 1 575 575 GLY N N 15 108.486 0.100 . 1 . . . . . 565 G N . 51894 1 465 . 1 . 1 576 576 THR H H 1 7.652 0.020 . 1 . . . . . 566 T HN . 51894 1 466 . 1 . 1 576 576 THR N N 15 110.217 0.100 . 1 . . . . . 566 T N . 51894 1 467 . 1 . 1 579 579 TYR H H 1 8.990 0.020 . 1 . . . . . 569 Y HN . 51894 1 468 . 1 . 1 579 579 TYR N N 15 118.921 0.100 . 1 . . . . . 569 Y N . 51894 1 469 . 1 . 1 583 583 GLN H H 1 9.705 0.020 . 1 . . . . . 573 Q HN . 51894 1 470 . 1 . 1 583 583 GLN N N 15 119.352 0.100 . 1 . . . . . 573 Q N . 51894 1 471 . 1 . 1 586 586 GLU H H 1 9.055 0.020 . 1 . . . . . 576 E HN . 51894 1 472 . 1 . 1 586 586 GLU N N 15 123.694 0.100 . 1 . . . . . 576 E N . 51894 1 473 . 1 . 1 616 616 SER H H 1 6.965 0.020 . 1 . . . . . 606 S HN . 51894 1 474 . 1 . 1 616 616 SER N N 15 105.825 0.100 . 1 . . . . . 606 S N . 51894 1 475 . 1 . 1 638 638 SER H H 1 7.367 0.020 . 1 . . . . . 628 S HN . 51894 1 476 . 1 . 1 638 638 SER N N 15 115.166 0.100 . 1 . . . . . 628 S N . 51894 1 477 . 1 . 1 653 653 ILE H H 1 7.982 0.020 . 1 . . . . . 643 I HN . 51894 1 478 . 1 . 1 653 653 ILE N N 15 121.185 0.100 . 1 . . . . . 643 I N . 51894 1 479 . 1 . 1 654 654 ASP H H 1 8.208 0.020 . 1 . . . . . 644 D HN . 51894 1 480 . 1 . 1 654 654 ASP N N 15 123.479 0.100 . 1 . . . . . 644 D N . 51894 1 481 . 1 . 1 656 656 GLY H H 1 8.516 0.020 . 1 . . . . . 646 G HN . 51894 1 482 . 1 . 1 656 656 GLY N N 15 110.266 0.100 . 1 . . . . . 646 G N . 51894 1 483 . 1 . 1 658 658 ASP H H 1 8.454 0.020 . 1 . . . . . 648 D HN . 51894 1 484 . 1 . 1 658 658 ASP N N 15 122.012 0.100 . 1 . . . . . 648 D N . 51894 1 485 . 1 . 1 659 659 GLU H H 1 7.966 0.020 . 1 . . . . . 649 E HN . 51894 1 486 . 1 . 1 659 659 GLU N N 15 126.344 0.100 . 1 . . . . . 649 E N . 51894 1 487 . 1 . 1 688 688 ASP H H 1 6.862 0.020 . 1 . . . . . 678 D HN . 51894 1 488 . 1 . 1 688 688 ASP N N 15 118.814 0.100 . 1 . . . . . 678 D N . 51894 1 489 . 1 . 1 733 733 GLY H H 1 7.757 0.020 . 1 . . . . . 723 G HN . 51894 1 490 . 1 . 1 733 733 GLY N N 15 109.014 0.100 . 1 . . . . . 723 G N . 51894 1 491 . 1 . 1 737 737 SER H H 1 8.510 0.020 . 1 . . . . . 727 S HN . 51894 1 492 . 1 . 1 737 737 SER N N 15 115.244 0.100 . 1 . . . . . 727 S N . 51894 1 493 . 1 . 1 755 755 GLY H H 1 8.731 0.020 . 1 . . . . . 745 G HN . 51894 1 494 . 1 . 1 755 755 GLY N N 15 111.156 0.100 . 1 . . . . . 745 G N . 51894 1 495 . 1 . 1 757 757 LYS H H 1 7.821 0.020 . 1 . . . . . 747 K HN . 51894 1 496 . 1 . 1 757 757 LYS N N 15 120.819 0.100 . 1 . . . . . 747 K N . 51894 1 497 . 1 . 1 771 771 LYS H H 1 7.990 0.020 . 1 . . . . . 761 K HN . 51894 1 498 . 1 . 1 771 771 LYS N N 15 116.007 0.100 . 1 . . . . . 761 K N . 51894 1 499 . 1 . 1 791 791 GLY H H 1 8.025 0.020 . 1 . . . . . 781 G HN . 51894 1 500 . 1 . 1 791 791 GLY N N 15 107.739 0.100 . 1 . . . . . 781 G N . 51894 1 501 . 1 . 1 797 797 LYS H H 1 7.450 0.020 . 1 . . . . . 787 K HN . 51894 1 502 . 1 . 1 797 797 LYS N N 15 122.413 0.100 . 1 . . . . . 787 K N . 51894 1 503 . 1 . 1 798 798 ASP H H 1 9.001 0.020 . 1 . . . . . 788 D HN . 51894 1 504 . 1 . 1 798 798 ASP N N 15 125.983 0.100 . 1 . . . . . 788 D N . 51894 1 505 . 1 . 1 812 812 LYS H H 1 8.777 0.020 . 1 . . . . . 802 K HN . 51894 1 506 . 1 . 1 812 812 LYS N N 15 125.787 0.100 . 1 . . . . . 802 K N . 51894 1 507 . 1 . 1 813 813 VAL H H 1 9.233 0.020 . 1 . . . . . 803 V HN . 51894 1 508 . 1 . 1 813 813 VAL N N 15 123.772 0.100 . 1 . . . . . 803 V N . 51894 1 509 . 1 . 1 815 815 ASP H H 1 8.809 0.020 . 1 . . . . . 805 D HN . 51894 1 510 . 1 . 1 815 815 ASP N N 15 128.320 0.100 . 1 . . . . . 805 D N . 51894 1 511 . 1 . 1 817 817 ASP H H 1 8.511 0.020 . 1 . . . . . 807 D HN . 51894 1 512 . 1 . 1 817 817 ASP N N 15 117.493 0.100 . 1 . . . . . 807 D N . 51894 1 513 . 1 . 1 843 843 VAL H H 1 9.157 0.020 . 1 . . . . . 833 V HN . 51894 1 514 . 1 . 1 843 843 VAL N N 15 125.992 0.100 . 1 . . . . . 833 V N . 51894 1 515 . 1 . 1 849 849 ILE H H 1 7.836 0.020 . 1 . . . . . 839 I HN . 51894 1 516 . 1 . 1 849 849 ILE N N 15 120.183 0.100 . 1 . . . . . 839 I N . 51894 1 517 . 1 . 1 926 926 ILE H H 1 7.794 0.020 . 1 . . . . . 916 I HN . 51894 1 518 . 1 . 1 926 926 ILE N N 15 121.973 0.100 . 1 . . . . . 916 I N . 51894 1 519 . 1 . 1 927 927 GLY H H 1 9.103 0.020 . 1 . . . . . 917 G HN . 51894 1 520 . 1 . 1 927 927 GLY N N 15 113.611 0.100 . 1 . . . . . 917 G N . 51894 1 521 . 1 . 1 959 959 LYS H H 1 8.133 0.020 . 1 . . . . . 949 K HN . 51894 1 522 . 1 . 1 959 959 LYS N N 15 125.856 0.100 . 1 . . . . . 949 K N . 51894 1 523 . 1 . 1 986 986 SER H H 1 8.466 0.020 . 1 . . . . . 976 S HN . 51894 1 524 . 1 . 1 986 986 SER N N 15 115.117 0.100 . 1 . . . . . 976 S N . 51894 1 525 . 1 . 1 989 989 VAL H H 1 7.735 0.020 . 1 . . . . . 979 V HN . 51894 1 526 . 1 . 1 989 989 VAL N N 15 121.679 0.100 . 1 . . . . . 979 V N . 51894 1 527 . 1 . 1 992 992 THR H H 1 6.980 0.020 . 1 . . . . . 982 T HN . 51894 1 528 . 1 . 1 992 992 THR N N 15 109.747 0.100 . 1 . . . . . 982 T N . 51894 1 529 . 1 . 1 996 996 TYR H H 1 7.260 0.020 . 1 . . . . . 986 Y HN . 51894 1 530 . 1 . 1 996 996 TYR N N 15 113.992 0.100 . 1 . . . . . 986 Y N . 51894 1 531 . 1 . 1 1006 1006 GLN H H 1 7.124 0.020 . 1 . . . . . 996 Q HN . 51894 1 532 . 1 . 1 1006 1006 GLN N N 15 112.994 0.100 . 1 . . . . . 996 Q N . 51894 1 533 . 1 . 1 1012 1012 LEU H H 1 9.445 0.020 . 1 . . . . . 1002 L HN . 51894 1 534 . 1 . 1 1012 1012 LEU N N 15 123.577 0.100 . 1 . . . . . 1002 L N . 51894 1 535 . 1 . 1 1014 1014 LYS H H 1 8.641 0.020 . 1 . . . . . 1004 K HN . 51894 1 536 . 1 . 1 1014 1014 LYS N N 15 121.914 0.100 . 1 . . . . . 1004 K N . 51894 1 537 . 1 . 1 1016 1016 LYS H H 1 9.143 0.020 . 1 . . . . . 1006 K HN . 51894 1 538 . 1 . 1 1016 1016 LYS N N 15 122.080 0.100 . 1 . . . . . 1006 K N . 51894 1 539 . 1 . 1 1022 1022 SER H H 1 8.278 0.020 . 1 . . . . . 1012 S HN . 51894 1 540 . 1 . 1 1022 1022 SER N N 15 117.792 0.100 . 1 . . . . . 1012 S N . 51894 1 541 . 1 . 1 1023 1023 LEU H H 1 8.133 0.020 . 1 . . . . . 1013 L HN . 51894 1 542 . 1 . 1 1023 1023 LEU N N 15 124.305 0.100 . 1 . . . . . 1013 L N . 51894 1 543 . 1 . 1 1024 1024 TRP H H 1 7.512 0.020 . 1 . . . . . 1014 W HN . 51894 1 544 . 1 . 1 1024 1024 TRP N N 15 125.400 0.100 . 1 . . . . . 1014 W N . 51894 1 stop_ save_