################################### # 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 27854 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 5 '2D 1H-15N HSQC' . . . 27854 1 6 '3D CBCA(CO)NH' . . . 27854 1 7 '3D HNCACB' . . . 27854 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 27 27 HIS H H 1 7.674 0.020 . 1 . . . . . 254 HIS H . 27854 1 2 . 1 . 1 27 27 HIS CA C 13 59.011 0.3 . 1 . . . . . 254 HIS CA . 27854 1 3 . 1 . 1 27 27 HIS CB C 13 34.464 0.3 . 1 . . . . . 254 HIS CB . 27854 1 4 . 1 . 1 27 27 HIS N N 15 118.701 0.3 . 1 . . . . . 254 HIS N . 27854 1 5 . 1 . 1 33 33 TRP H H 1 8.568 0.020 . 1 . . . . . 260 TRP H . 27854 1 6 . 1 . 1 33 33 TRP CA C 13 57.184 0.3 . 1 . . . . . 260 TRP CA . 27854 1 7 . 1 . 1 33 33 TRP CB C 13 29.517 0.3 . 1 . . . . . 260 TRP CB . 27854 1 8 . 1 . 1 33 33 TRP N N 15 120.963 0.3 . 1 . . . . . 260 TRP N . 27854 1 9 . 1 . 1 34 34 THR H H 1 9.777 0.020 . 1 . . . . . 261 THR H . 27854 1 10 . 1 . 1 34 34 THR CA C 13 62.871 0.3 . 1 . . . . . 261 THR CA . 27854 1 11 . 1 . 1 34 34 THR CB C 13 71.752 0.3 . 1 . . . . . 261 THR CB . 27854 1 12 . 1 . 1 34 34 THR N N 15 118.940 0.3 . 1 . . . . . 261 THR N . 27854 1 13 . 1 . 1 35 35 PHE H H 1 9.048 0.020 . 1 . . . . . 262 PHE H . 27854 1 14 . 1 . 1 35 35 PHE CA C 13 57.832 0.3 . 1 . . . . . 262 PHE CA . 27854 1 15 . 1 . 1 35 35 PHE CB C 13 40.505 0.3 . 1 . . . . . 262 PHE CB . 27854 1 16 . 1 . 1 35 35 PHE N N 15 128.929 0.3 . 1 . . . . . 262 PHE N . 27854 1 17 . 1 . 1 36 36 PHE H H 1 8.702 0.020 . 1 . . . . . 263 PHE H . 27854 1 18 . 1 . 1 36 36 PHE CA C 13 58.886 0.3 . 1 . . . . . 263 PHE CA . 27854 1 19 . 1 . 1 36 36 PHE CB C 13 40.888 0.3 . 1 . . . . . 263 PHE CB . 27854 1 20 . 1 . 1 36 36 PHE N N 15 126.810 0.3 . 1 . . . . . 263 PHE N . 27854 1 21 . 1 . 1 38 38 GLY H H 1 5.845 0.020 . 1 . . . . . 265 GLY H . 27854 1 22 . 1 . 1 38 38 GLY CA C 13 45.622 0.3 . 1 . . . . . 265 GLY CA . 27854 1 23 . 1 . 1 38 38 GLY N N 15 101.760 0.3 . 1 . . . . . 265 GLY N . 27854 1 24 . 1 . 1 39 39 ASN H H 1 7.586 0.020 . 1 . . . . . 266 ASN H . 27854 1 25 . 1 . 1 39 39 ASN CA C 13 52.229 0.3 . 1 . . . . . 266 ASN CA . 27854 1 26 . 1 . 1 39 39 ASN CB C 13 43.912 0.3 . 1 . . . . . 266 ASN CB . 27854 1 27 . 1 . 1 39 39 ASN N N 15 118.020 0.3 . 1 . . . . . 266 ASN N . 27854 1 28 . 1 . 1 40 40 CYS H H 1 9.318 0.020 . 1 . . . . . 267 CYS H . 27854 1 29 . 1 . 1 40 40 CYS CA C 13 53.405 0.3 . 1 . . . . . 267 CYS CA . 27854 1 30 . 1 . 1 40 40 CYS CB C 13 43.060 0.3 . 1 . . . . . 267 CYS CB . 27854 1 31 . 1 . 1 40 40 CYS N N 15 116.914 0.3 . 1 . . . . . 267 CYS N . 27854 1 32 . 1 . 1 41 41 TYR H H 1 9.976 0.020 . 1 . . . . . 268 TYR H . 27854 1 33 . 1 . 1 41 41 TYR CA C 13 56.984 0.3 . 1 . . . . . 268 TYR CA . 27854 1 34 . 1 . 1 41 41 TYR CB C 13 42.044 0.3 . 1 . . . . . 268 TYR CB . 27854 1 35 . 1 . 1 41 41 TYR N N 15 121.359 0.3 . 1 . . . . . 268 TYR N . 27854 1 36 . 1 . 1 42 42 PHE H H 1 8.551 0.020 . 1 . . . . . 269 PHE H . 27854 1 37 . 1 . 1 42 42 PHE CA C 13 55.307 0.3 . 1 . . . . . 269 PHE CA . 27854 1 38 . 1 . 1 42 42 PHE CB C 13 40.441 0.3 . 1 . . . . . 269 PHE CB . 27854 1 39 . 1 . 1 42 42 PHE N N 15 124.995 0.3 . 1 . . . . . 269 PHE N . 27854 1 40 . 1 . 1 43 43 MET H H 1 7.755 0.020 . 1 . . . . . 270 MET H . 27854 1 41 . 1 . 1 43 43 MET CA C 13 53.927 0.3 . 1 . . . . . 270 MET CA . 27854 1 42 . 1 . 1 43 43 MET CB C 13 31.567 0.3 . 1 . . . . . 270 MET CB . 27854 1 43 . 1 . 1 43 43 MET N N 15 128.084 0.3 . 1 . . . . . 270 MET N . 27854 1 44 . 1 . 1 44 44 SER H H 1 7.756 0.020 . 1 . . . . . 271 SER H . 27854 1 45 . 1 . 1 44 44 SER CA C 13 59.086 0.3 . 1 . . . . . 271 SER CA . 27854 1 46 . 1 . 1 44 44 SER CB C 13 62.241 0.3 . 1 . . . . . 271 SER CB . 27854 1 47 . 1 . 1 44 44 SER N N 15 120.538 0.3 . 1 . . . . . 271 SER N . 27854 1 48 . 1 . 1 46 46 SER H H 1 7.288 0.020 . 1 . . . . . 273 SER H . 27854 1 49 . 1 . 1 46 46 SER CA C 13 56.784 0.3 . 1 . . . . . 273 SER CA . 27854 1 50 . 1 . 1 46 46 SER CB C 13 71.390 0.3 . 1 . . . . . 273 SER CB . 27854 1 51 . 1 . 1 46 46 SER N N 15 113.869 0.3 . 1 . . . . . 273 SER N . 27854 1 52 . 1 . 1 47 47 GLN H H 1 8.245 0.020 . 1 . . . . . 274 GLN H . 27854 1 53 . 1 . 1 47 47 GLN CA C 13 54.857 0.3 . 1 . . . . . 274 GLN CA . 27854 1 54 . 1 . 1 47 47 GLN CB C 13 31.945 0.3 . 1 . . . . . 274 GLN CB . 27854 1 55 . 1 . 1 47 47 GLN N N 15 116.465 0.3 . 1 . . . . . 274 GLN N . 27854 1 56 . 1 . 1 48 48 ARG H H 1 9.676 0.020 . 1 . . . . . 275 ARG H . 27854 1 57 . 1 . 1 48 48 ARG CA C 13 55.627 0.3 . 1 . . . . . 275 ARG CA . 27854 1 58 . 1 . 1 48 48 ARG CB C 13 37.173 0.3 . 1 . . . . . 275 ARG CB . 27854 1 59 . 1 . 1 48 48 ARG N N 15 123.144 0.3 . 1 . . . . . 275 ARG N . 27854 1 60 . 1 . 1 49 49 ASN H H 1 9.528 0.020 . 1 . . . . . 276 ASN H . 27854 1 61 . 1 . 1 49 49 ASN CA C 13 52.754 0.3 . 1 . . . . . 276 ASN CA . 27854 1 62 . 1 . 1 49 49 ASN CB C 13 37.550 0.3 . 1 . . . . . 276 ASN CB . 27854 1 63 . 1 . 1 49 49 ASN N N 15 120.329 0.3 . 1 . . . . . 276 ASN N . 27854 1 64 . 1 . 1 50 50 TRP H H 1 8.032 0.020 . 1 . . . . . 277 TRP H . 27854 1 65 . 1 . 1 50 50 TRP CA C 13 64.242 0.3 . 1 . . . . . 277 TRP CA . 27854 1 66 . 1 . 1 50 50 TRP CB C 13 31.000 0.3 . 1 . . . . . 277 TRP CB . 27854 1 67 . 1 . 1 50 50 TRP N N 15 121.593 0.3 . 1 . . . . . 277 TRP N . 27854 1 68 . 1 . 1 51 51 HIS H H 1 7.362 0.020 . 1 . . . . . 278 HIS H . 27854 1 69 . 1 . 1 51 51 HIS CA C 13 60.363 0.3 . 1 . . . . . 278 HIS CA . 27854 1 70 . 1 . 1 51 51 HIS CB C 13 30.348 0.3 . 1 . . . . . 278 HIS CB . 27854 1 71 . 1 . 1 51 51 HIS N N 15 114.705 0.3 . 1 . . . . . 278 HIS N . 27854 1 72 . 1 . 1 52 52 ASP H H 1 8.960 0.020 . 1 . . . . . 279 ASP H . 27854 1 73 . 1 . 1 52 52 ASP CA C 13 56.133 0.3 . 1 . . . . . 279 ASP CA . 27854 1 74 . 1 . 1 52 52 ASP CB C 13 39.251 0.3 . 1 . . . . . 279 ASP CB . 27854 1 75 . 1 . 1 52 52 ASP N N 15 119.063 0.3 . 1 . . . . . 279 ASP N . 27854 1 76 . 1 . 1 53 53 SER H H 1 8.065 0.020 . 1 . . . . . 280 SER H . 27854 1 77 . 1 . 1 53 53 SER CA C 13 63.216 0.3 . 1 . . . . . 280 SER CA . 27854 1 78 . 1 . 1 53 53 SER CB C 13 62.052 0.3 . 1 . . . . . 280 SER CB . 27854 1 79 . 1 . 1 53 53 SER N N 15 124.094 0.3 . 1 . . . . . 280 SER N . 27854 1 80 . 1 . 1 54 54 ILE H H 1 7.042 0.020 . 1 . . . . . 281 ILE H . 27854 1 81 . 1 . 1 54 54 ILE CA C 13 65.193 0.3 . 1 . . . . . 281 ILE CA . 27854 1 82 . 1 . 1 54 54 ILE CB C 13 37.110 0.3 . 1 . . . . . 281 ILE CB . 27854 1 83 . 1 . 1 54 54 ILE N N 15 122.026 0.3 . 1 . . . . . 281 ILE N . 27854 1 84 . 1 . 1 55 55 THR H H 1 7.318 0.020 . 1 . . . . . 282 THR H . 27854 1 85 . 1 . 1 55 55 THR CA C 13 66.244 0.3 . 1 . . . . . 282 THR CA . 27854 1 86 . 1 . 1 55 55 THR CB C 13 68.288 0.3 . 1 . . . . . 282 THR CB . 27854 1 87 . 1 . 1 55 55 THR N N 15 116.166 0.3 . 1 . . . . . 282 THR N . 27854 1 88 . 1 . 1 56 56 ALA H H 1 7.773 0.020 . 1 . . . . . 283 ALA H . 27854 1 89 . 1 . 1 56 56 ALA CA C 13 55.032 0.3 . 1 . . . . . 283 ALA CA . 27854 1 90 . 1 . 1 56 56 ALA CB C 13 17.763 0.3 . 1 . . . . . 283 ALA CB . 27854 1 91 . 1 . 1 56 56 ALA N N 15 123.668 0.3 . 1 . . . . . 283 ALA N . 27854 1 92 . 1 . 1 57 57 CYS H H 1 7.741 0.020 . 1 . . . . . 284 CYS H . 27854 1 93 . 1 . 1 57 57 CYS CA C 13 55.107 0.3 . 1 . . . . . 284 CYS CA . 27854 1 94 . 1 . 1 57 57 CYS CB C 13 36.102 0.3 . 1 . . . . . 284 CYS CB . 27854 1 95 . 1 . 1 57 57 CYS N N 15 113.249 0.3 . 1 . . . . . 284 CYS N . 27854 1 96 . 1 . 1 58 58 LYS H H 1 8.275 0.020 . 1 . . . . . 285 LYS H . 27854 1 97 . 1 . 1 58 58 LYS CA C 13 60.187 0.3 . 1 . . . . . 285 LYS CA . 27854 1 98 . 1 . 1 58 58 LYS CB C 13 32.136 0.3 . 1 . . . . . 285 LYS CB . 27854 1 99 . 1 . 1 58 58 LYS N N 15 124.366 0.3 . 1 . . . . . 285 LYS N . 27854 1 100 . 1 . 1 59 59 GLU H H 1 8.189 0.020 . 1 . . . . . 286 GLU H . 27854 1 101 . 1 . 1 59 59 GLU CA C 13 59.086 0.3 . 1 . . . . . 286 GLU CA . 27854 1 102 . 1 . 1 59 59 GLU CB C 13 30.181 0.3 . 1 . . . . . 286 GLU CB . 27854 1 103 . 1 . 1 59 59 GLU N N 15 119.058 0.3 . 1 . . . . . 286 GLU N . 27854 1 104 . 1 . 1 60 60 VAL H H 1 7.155 0.020 . 1 . . . . . 287 VAL H . 27854 1 105 . 1 . 1 60 60 VAL CA C 13 59.812 0.3 . 1 . . . . . 287 VAL CA . 27854 1 106 . 1 . 1 60 60 VAL CB C 13 30.859 0.3 . 1 . . . . . 287 VAL CB . 27854 1 107 . 1 . 1 60 60 VAL N N 15 108.856 0.3 . 1 . . . . . 287 VAL N . 27854 1 108 . 1 . 1 61 61 GLY H H 1 7.829 0.020 . 1 . . . . . 288 GLY H . 27854 1 109 . 1 . 1 61 61 GLY CA C 13 46.873 0.3 . 1 . . . . . 288 GLY CA . 27854 1 110 . 1 . 1 61 61 GLY N N 15 109.122 0.3 . 1 . . . . . 288 GLY N . 27854 1 111 . 1 . 1 62 62 ALA H H 1 8.271 0.020 . 1 . . . . . 289 ALA H . 27854 1 112 . 1 . 1 62 62 ALA CA C 13 49.826 0.3 . 1 . . . . . 289 ALA CA . 27854 1 113 . 1 . 1 62 62 ALA CB C 13 24.471 0.3 . 1 . . . . . 289 ALA CB . 27854 1 114 . 1 . 1 62 62 ALA N N 15 121.967 0.3 . 1 . . . . . 289 ALA N . 27854 1 115 . 1 . 1 63 63 GLN H H 1 8.005 0.020 . 1 . . . . . 290 GLN H . 27854 1 116 . 1 . 1 63 63 GLN CA C 13 53.881 0.3 . 1 . . . . . 290 GLN CA . 27854 1 117 . 1 . 1 63 63 GLN CB C 13 33.670 0.3 . 1 . . . . . 290 GLN CB . 27854 1 118 . 1 . 1 63 63 GLN N N 15 117.255 0.3 . 1 . . . . . 290 GLN N . 27854 1 119 . 1 . 1 64 64 LEU H H 1 8.872 0.020 . 1 . . . . . 291 LEU H . 27854 1 120 . 1 . 1 64 64 LEU CA C 13 57.560 0.3 . 1 . . . . . 291 LEU CA . 27854 1 121 . 1 . 1 64 64 LEU CB C 13 43.219 0.3 . 1 . . . . . 291 LEU CB . 27854 1 122 . 1 . 1 64 64 LEU N N 15 132.145 0.3 . 1 . . . . . 291 LEU N . 27854 1 123 . 1 . 1 65 65 VAL H H 1 7.854 0.020 . 1 . . . . . 292 VAL H . 27854 1 124 . 1 . 1 65 65 VAL CA C 13 65.068 0.3 . 1 . . . . . 292 VAL CA . 27854 1 125 . 1 . 1 65 65 VAL CB C 13 33.478 0.3 . 1 . . . . . 292 VAL CB . 27854 1 126 . 1 . 1 65 65 VAL N N 15 122.716 0.3 . 1 . . . . . 292 VAL N . 27854 1 127 . 1 . 1 66 66 VAL H H 1 6.974 0.020 . 1 . . . . . 293 VAL H . 27854 1 128 . 1 . 1 66 66 VAL CA C 13 60.212 0.3 . 1 . . . . . 293 VAL CA . 27854 1 129 . 1 . 1 66 66 VAL CB C 13 32.328 0.3 . 1 . . . . . 293 VAL CB . 27854 1 130 . 1 . 1 66 66 VAL N N 15 127.025 0.3 . 1 . . . . . 293 VAL N . 27854 1 131 . 1 . 1 68 68 LYS H H 1 9.030 0.020 . 1 . . . . . 295 LYS H . 27854 1 132 . 1 . 1 68 68 LYS CA C 13 54.431 0.3 . 1 . . . . . 295 LYS CA . 27854 1 133 . 1 . 1 68 68 LYS CB C 13 34.308 0.3 . 1 . . . . . 295 LYS CB . 27854 1 134 . 1 . 1 68 68 LYS N N 15 122.769 0.3 . 1 . . . . . 295 LYS N . 27854 1 135 . 1 . 1 69 69 SER H H 1 7.737 0.020 . 1 . . . . . 296 SER H . 27854 1 136 . 1 . 1 69 69 SER CA C 13 57.284 0.3 . 1 . . . . . 296 SER CA . 27854 1 137 . 1 . 1 69 69 SER CB C 13 67.406 0.3 . 1 . . . . . 296 SER CB . 27854 1 138 . 1 . 1 69 69 SER N N 15 112.526 0.3 . 1 . . . . . 296 SER N . 27854 1 139 . 1 . 1 72 72 GLU H H 1 7.973 0.020 . 1 . . . . . 299 GLU H . 27854 1 140 . 1 . 1 72 72 GLU CA C 13 59.437 0.3 . 1 . . . . . 299 GLU CA . 27854 1 141 . 1 . 1 72 72 GLU CB C 13 30.496 0.3 . 1 . . . . . 299 GLU CB . 27854 1 142 . 1 . 1 72 72 GLU N N 15 122.716 0.3 . 1 . . . . . 299 GLU N . 27854 1 143 . 1 . 1 73 73 GLN H H 1 7.783 0.020 . 1 . . . . . 300 GLN H . 27854 1 144 . 1 . 1 73 73 GLN CA C 13 58.386 0.3 . 1 . . . . . 300 GLN CA . 27854 1 145 . 1 . 1 73 73 GLN CB C 13 25.685 0.3 . 1 . . . . . 300 GLN CB . 27854 1 146 . 1 . 1 73 73 GLN N N 15 121.559 0.3 . 1 . . . . . 300 GLN N . 27854 1 147 . 1 . 1 74 74 ASN H H 1 8.150 0.020 . 1 . . . . . 301 ASN H . 27854 1 148 . 1 . 1 74 74 ASN CA C 13 56.433 0.3 . 1 . . . . . 301 ASN CA . 27854 1 149 . 1 . 1 74 74 ASN CB C 13 38.432 0.3 . 1 . . . . . 301 ASN CB . 27854 1 150 . 1 . 1 74 74 ASN N N 15 117.007 0.3 . 1 . . . . . 301 ASN N . 27854 1 151 . 1 . 1 75 75 PHE H H 1 7.479 0.020 . 1 . . . . . 302 PHE H . 27854 1 152 . 1 . 1 75 75 PHE CA C 13 60.288 0.3 . 1 . . . . . 302 PHE CA . 27854 1 153 . 1 . 1 75 75 PHE CB C 13 39.377 0.3 . 1 . . . . . 302 PHE CB . 27854 1 154 . 1 . 1 75 75 PHE N N 15 119.603 0.3 . 1 . . . . . 302 PHE N . 27854 1 155 . 1 . 1 76 76 LEU H H 1 8.009 0.020 . 1 . . . . . 303 LEU H . 27854 1 156 . 1 . 1 76 76 LEU CA C 13 56.884 0.3 . 1 . . . . . 303 LEU CA . 27854 1 157 . 1 . 1 76 76 LEU CB C 13 42.778 0.3 . 1 . . . . . 303 LEU CB . 27854 1 158 . 1 . 1 76 76 LEU N N 15 119.892 0.3 . 1 . . . . . 303 LEU N . 27854 1 159 . 1 . 1 77 77 GLN H H 1 8.861 0.020 . 1 . . . . . 304 GLN H . 27854 1 160 . 1 . 1 77 77 GLN CA C 13 58.761 0.3 . 1 . . . . . 304 GLN CA . 27854 1 161 . 1 . 1 77 77 GLN CB C 13 29.362 0.3 . 1 . . . . . 304 GLN CB . 27854 1 162 . 1 . 1 77 77 GLN N N 15 121.904 0.3 . 1 . . . . . 304 GLN N . 27854 1 163 . 1 . 1 78 78 LEU H H 1 7.297 0.020 . 1 . . . . . 305 LEU H . 27854 1 164 . 1 . 1 78 78 LEU CA C 13 57.359 0.3 . 1 . . . . . 305 LEU CA . 27854 1 165 . 1 . 1 78 78 LEU CB C 13 41.591 0.3 . 1 . . . . . 305 LEU CB . 27854 1 166 . 1 . 1 78 78 LEU N N 15 118.037 0.3 . 1 . . . . . 305 LEU N . 27854 1 167 . 1 . 1 79 79 GLN H H 1 7.205 0.020 . 1 . . . . . 306 GLN H . 27854 1 168 . 1 . 1 79 79 GLN CA C 13 57.860 0.3 . 1 . . . . . 306 GLN CA . 27854 1 169 . 1 . 1 79 79 GLN CB C 13 27.284 0.3 . 1 . . . . . 306 GLN CB . 27854 1 170 . 1 . 1 79 79 GLN N N 15 115.923 0.3 . 1 . . . . . 306 GLN N . 27854 1 171 . 1 . 1 80 80 SER H H 1 7.372 0.020 . 1 . . . . . 307 SER H . 27854 1 172 . 1 . 1 80 80 SER CA C 13 61.614 0.3 . 1 . . . . . 307 SER CA . 27854 1 173 . 1 . 1 80 80 SER CB C 13 63.060 0.3 . 1 . . . . . 307 SER CB . 27854 1 174 . 1 . 1 80 80 SER N N 15 113.772 0.3 . 1 . . . . . 307 SER N . 27854 1 175 . 1 . 1 81 81 SER H H 1 8.521 0.020 . 1 . . . . . 308 SER H . 27854 1 176 . 1 . 1 81 81 SER CA C 13 61.013 0.3 . 1 . . . . . 308 SER CA . 27854 1 177 . 1 . 1 81 81 SER CB C 13 62.991 0.3 . 1 . . . . . 308 SER CB . 27854 1 178 . 1 . 1 81 81 SER N N 15 117.639 0.3 . 1 . . . . . 308 SER N . 27854 1 179 . 1 . 1 82 82 ARG H H 1 8.176 0.020 . 1 . . . . . 309 ARG H . 27854 1 180 . 1 . 1 82 82 ARG CA C 13 58.536 0.3 . 1 . . . . . 309 ARG CA . 27854 1 181 . 1 . 1 82 82 ARG CB C 13 30.284 0.3 . 1 . . . . . 309 ARG CB . 27854 1 182 . 1 . 1 82 82 ARG N N 15 121.474 0.3 . 1 . . . . . 309 ARG N . 27854 1 183 . 1 . 1 85 85 ARG H H 1 7.502 0.020 . 1 . . . . . 312 ARG H . 27854 1 184 . 1 . 1 85 85 ARG CA C 13 55.457 0.3 . 1 . . . . . 312 ARG CA . 27854 1 185 . 1 . 1 85 85 ARG CB C 13 32.386 0.3 . 1 . . . . . 312 ARG CB . 27854 1 186 . 1 . 1 85 85 ARG N N 15 116.558 0.3 . 1 . . . . . 312 ARG N . 27854 1 187 . 1 . 1 86 86 PHE H H 1 8.495 0.020 . 1 . . . . . 313 PHE H . 27854 1 188 . 1 . 1 86 86 PHE CA C 13 57.832 0.3 . 1 . . . . . 313 PHE CA . 27854 1 189 . 1 . 1 86 86 PHE CB C 13 37.173 0.3 . 1 . . . . . 313 PHE CB . 27854 1 190 . 1 . 1 86 86 PHE N N 15 127.923 0.3 . 1 . . . . . 313 PHE N . 27854 1 191 . 1 . 1 87 87 THR H H 1 7.685 0.020 . 1 . . . . . 314 THR H . 27854 1 192 . 1 . 1 87 87 THR CA C 13 61.289 0.3 . 1 . . . . . 314 THR CA . 27854 1 193 . 1 . 1 87 87 THR CB C 13 73.264 0.3 . 1 . . . . . 314 THR CB . 27854 1 194 . 1 . 1 87 87 THR N N 15 120.572 0.3 . 1 . . . . . 314 THR N . 27854 1 195 . 1 . 1 88 88 TRP H H 1 9.976 0.020 . 1 . . . . . 315 TRP H . 27854 1 196 . 1 . 1 88 88 TRP CA C 13 57.960 0.3 . 1 . . . . . 315 TRP CA . 27854 1 197 . 1 . 1 88 88 TRP CB C 13 34.423 0.3 . 1 . . . . . 315 TRP CB . 27854 1 198 . 1 . 1 88 88 TRP N N 15 127.192 0.3 . 1 . . . . . 315 TRP N . 27854 1 199 . 1 . 1 89 89 MET H H 1 8.512 0.020 . 1 . . . . . 316 MET H . 27854 1 200 . 1 . 1 89 89 MET CA C 13 53.055 0.3 . 1 . . . . . 316 MET CA . 27854 1 201 . 1 . 1 89 89 MET CB C 13 38.117 0.3 . 1 . . . . . 316 MET CB . 27854 1 202 . 1 . 1 89 89 MET N N 15 113.295 0.3 . 1 . . . . . 316 MET N . 27854 1 203 . 1 . 1 90 90 GLY H H 1 9.673 0.020 . 1 . . . . . 317 GLY H . 27854 1 204 . 1 . 1 90 90 GLY CA C 13 48.750 0.3 . 1 . . . . . 317 GLY CA . 27854 1 205 . 1 . 1 90 90 GLY N N 15 111.165 0.3 . 1 . . . . . 317 GLY N . 27854 1 206 . 1 . 1 91 91 LEU H H 1 8.251 0.020 . 1 . . . . . 318 LEU H . 27854 1 207 . 1 . 1 91 91 LEU CA C 13 54.882 0.3 . 1 . . . . . 318 LEU CA . 27854 1 208 . 1 . 1 91 91 LEU CB C 13 46.746 0.3 . 1 . . . . . 318 LEU CB . 27854 1 209 . 1 . 1 91 91 LEU N N 15 128.245 0.3 . 1 . . . . . 318 LEU N . 27854 1 210 . 1 . 1 92 92 SER H H 1 8.467 0.020 . 1 . . . . . 319 SER H . 27854 1 211 . 1 . 1 92 92 SER CA C 13 58.736 0.3 . 1 . . . . . 319 SER CA . 27854 1 212 . 1 . 1 92 92 SER CB C 13 68.162 0.3 . 1 . . . . . 319 SER CB . 27854 1 213 . 1 . 1 92 92 SER N N 15 120.147 0.3 . 1 . . . . . 319 SER N . 27854 1 214 . 1 . 1 93 93 ASP H H 1 7.791 0.020 . 1 . . . . . 320 ASP H . 27854 1 215 . 1 . 1 93 93 ASP CA C 13 51.603 0.3 . 1 . . . . . 320 ASP CA . 27854 1 216 . 1 . 1 93 93 ASP CB C 13 37.595 0.3 . 1 . . . . . 320 ASP CB . 27854 1 217 . 1 . 1 93 93 ASP N N 15 123.771 0.3 . 1 . . . . . 320 ASP N . 27854 1 218 . 1 . 1 94 94 LEU H H 1 6.688 0.020 . 1 . . . . . 321 LEU H . 27854 1 219 . 1 . 1 94 94 LEU CA C 13 57.184 0.3 . 1 . . . . . 321 LEU CA . 27854 1 220 . 1 . 1 94 94 LEU CB C 13 43.827 0.3 . 1 . . . . . 321 LEU CB . 27854 1 221 . 1 . 1 94 94 LEU N N 15 119.694 0.3 . 1 . . . . . 321 LEU N . 27854 1 222 . 1 . 1 96 96 GLN H H 1 7.641 0.020 . 1 . . . . . 323 GLN H . 27854 1 223 . 1 . 1 96 96 GLN CA C 13 55.182 0.3 . 1 . . . . . 323 GLN CA . 27854 1 224 . 1 . 1 96 96 GLN CB C 13 30.457 0.3 . 1 . . . . . 323 GLN CB . 27854 1 225 . 1 . 1 96 96 GLN N N 15 120.538 0.3 . 1 . . . . . 323 GLN N . 27854 1 226 . 1 . 1 97 97 GLU H H 1 8.007 0.020 . 1 . . . . . 324 GLU H . 27854 1 227 . 1 . 1 97 97 GLU CA C 13 56.884 0.3 . 1 . . . . . 324 GLU CA . 27854 1 228 . 1 . 1 97 97 GLU CB C 13 28.351 0.3 . 1 . . . . . 324 GLU CB . 27854 1 229 . 1 . 1 97 97 GLU N N 15 128.479 0.3 . 1 . . . . . 324 GLU N . 27854 1 230 . 1 . 1 98 98 GLY H H 1 10.563 0.020 . 1 . . . . . 325 GLY H . 27854 1 231 . 1 . 1 98 98 GLY CA C 13 45.040 0.3 . 1 . . . . . 325 GLY CA . 27854 1 232 . 1 . 1 98 98 GLY N N 15 119.798 0.3 . 1 . . . . . 325 GLY N . 27854 1 233 . 1 . 1 99 99 THR H H 1 8.530 0.020 . 1 . . . . . 326 THR H . 27854 1 234 . 1 . 1 99 99 THR CA C 13 61.564 0.3 . 1 . . . . . 326 THR CA . 27854 1 235 . 1 . 1 99 99 THR CB C 13 69.233 0.3 . 1 . . . . . 326 THR CB . 27854 1 236 . 1 . 1 99 99 THR N N 15 121.355 0.3 . 1 . . . . . 326 THR N . 27854 1 237 . 1 . 1 100 100 TRP H H 1 8.723 0.020 . 1 . . . . . 327 TRP H . 27854 1 238 . 1 . 1 100 100 TRP CA C 13 57.710 0.3 . 1 . . . . . 327 TRP CA . 27854 1 239 . 1 . 1 100 100 TRP CB C 13 29.299 0.3 . 1 . . . . . 327 TRP CB . 27854 1 240 . 1 . 1 100 100 TRP N N 15 128.920 0.3 . 1 . . . . . 327 TRP N . 27854 1 241 . 1 . 1 101 101 GLN H H 1 9.050 0.020 . 1 . . . . . 328 GLN H . 27854 1 242 . 1 . 1 101 101 GLN CA C 13 54.531 0.3 . 1 . . . . . 328 GLN CA . 27854 1 243 . 1 . 1 101 101 GLN CB C 13 34.361 0.3 . 1 . . . . . 328 GLN CB . 27854 1 244 . 1 . 1 101 101 GLN N N 15 123.098 0.3 . 1 . . . . . 328 GLN N . 27854 1 245 . 1 . 1 102 102 TRP H H 1 9.430 0.020 . 1 . . . . . 329 TRP H . 27854 1 246 . 1 . 1 102 102 TRP CA C 13 56.834 0.3 . 1 . . . . . 329 TRP CA . 27854 1 247 . 1 . 1 102 102 TRP CB C 13 32.134 0.3 . 1 . . . . . 329 TRP CB . 27854 1 248 . 1 . 1 102 102 TRP N N 15 128.580 0.3 . 1 . . . . . 329 TRP N . 27854 1 249 . 1 . 1 103 103 VAL H H 1 8.877 0.020 . 1 . . . . . 330 VAL H . 27854 1 250 . 1 . 1 103 103 VAL CA C 13 64.392 0.3 . 1 . . . . . 330 VAL CA . 27854 1 251 . 1 . 1 103 103 VAL CB C 13 32.260 0.3 . 1 . . . . . 330 VAL CB . 27854 1 252 . 1 . 1 103 103 VAL N N 15 115.101 0.3 . 1 . . . . . 330 VAL N . 27854 1 253 . 1 . 1 104 104 ASP H H 1 7.387 0.020 . 1 . . . . . 331 ASP H . 27854 1 254 . 1 . 1 104 104 ASP CA C 13 53.505 0.3 . 1 . . . . . 331 ASP CA . 27854 1 255 . 1 . 1 104 104 ASP CB C 13 40.574 0.3 . 1 . . . . . 331 ASP CB . 27854 1 256 . 1 . 1 104 104 ASP N N 15 117.924 0.3 . 1 . . . . . 331 ASP N . 27854 1 257 . 1 . 1 105 105 GLY H H 1 8.554 0.020 . 1 . . . . . 332 GLY H . 27854 1 258 . 1 . 1 105 105 GLY CA C 13 44.971 0.3 . 1 . . . . . 332 GLY CA . 27854 1 259 . 1 . 1 105 105 GLY N N 15 109.164 0.3 . 1 . . . . . 332 GLY N . 27854 1 260 . 1 . 1 106 106 SER H H 1 8.281 0.020 . 1 . . . . . 333 SER H . 27854 1 261 . 1 . 1 106 106 SER CA C 13 57.184 0.3 . 1 . . . . . 333 SER CA . 27854 1 262 . 1 . 1 106 106 SER CB C 13 63.186 0.3 . 1 . . . . . 333 SER CB . 27854 1 263 . 1 . 1 106 106 SER N N 15 119.466 0.3 . 1 . . . . . 333 SER N . 27854 1 264 . 1 . 1 108 108 LEU H H 1 7.816 0.020 . 1 . . . . . 335 LEU H . 27854 1 265 . 1 . 1 108 108 LEU CA C 13 55.057 0.3 . 1 . . . . . 335 LEU CA . 27854 1 266 . 1 . 1 108 108 LEU CB C 13 42.602 0.3 . 1 . . . . . 335 LEU CB . 27854 1 267 . 1 . 1 108 108 LEU N N 15 120.589 0.3 . 1 . . . . . 335 LEU N . 27854 1 268 . 1 . 1 109 109 LEU H H 1 8.698 0.020 . 1 . . . . . 336 LEU H . 27854 1 269 . 1 . 1 109 109 LEU CA C 13 53.956 0.3 . 1 . . . . . 336 LEU CA . 27854 1 270 . 1 . 1 109 109 LEU CB C 13 41.673 0.3 . 1 . . . . . 336 LEU CB . 27854 1 271 . 1 . 1 109 109 LEU N N 15 132.022 0.3 . 1 . . . . . 336 LEU N . 27854 1 272 . 1 . 1 112 112 PHE H H 1 8.304 0.020 . 1 . . . . . 339 PHE H . 27854 1 273 . 1 . 1 112 112 PHE CA C 13 57.835 0.3 . 1 . . . . . 339 PHE CA . 27854 1 274 . 1 . 1 112 112 PHE CB C 13 39.163 0.3 . 1 . . . . . 339 PHE CB . 27854 1 275 . 1 . 1 112 112 PHE N N 15 120.470 0.3 . 1 . . . . . 339 PHE N . 27854 1 276 . 1 . 1 113 113 LYS H H 1 7.475 0.020 . 1 . . . . . 340 LYS H . 27854 1 277 . 1 . 1 113 113 LYS CA C 13 59.236 0.3 . 1 . . . . . 340 LYS CA . 27854 1 278 . 1 . 1 113 113 LYS CB C 13 31.881 0.3 . 1 . . . . . 340 LYS CB . 27854 1 279 . 1 . 1 113 113 LYS N N 15 118.768 0.3 . 1 . . . . . 340 LYS N . 27854 1 280 . 1 . 1 114 114 GLN H H 1 7.266 0.020 . 1 . . . . . 341 GLN H . 27854 1 281 . 1 . 1 114 114 GLN CA C 13 56.333 0.3 . 1 . . . . . 341 GLN CA . 27854 1 282 . 1 . 1 114 114 GLN CB C 13 28.417 0.3 . 1 . . . . . 341 GLN CB . 27854 1 283 . 1 . 1 114 114 GLN N N 15 113.752 0.3 . 1 . . . . . 341 GLN N . 27854 1 284 . 1 . 1 115 115 TYR H H 1 6.673 0.020 . 1 . . . . . 342 TYR H . 27854 1 285 . 1 . 1 115 115 TYR CA C 13 58.185 0.3 . 1 . . . . . 342 TYR CA . 27854 1 286 . 1 . 1 115 115 TYR CB C 13 34.716 0.3 . 1 . . . . . 342 TYR CB . 27854 1 287 . 1 . 1 115 115 TYR N N 15 118.565 0.3 . 1 . . . . . 342 TYR N . 27854 1 288 . 1 . 1 116 116 TRP H H 1 6.463 0.020 . 1 . . . . . 343 TRP H . 27854 1 289 . 1 . 1 116 116 TRP CA C 13 57.860 0.3 . 1 . . . . . 343 TRP CA . 27854 1 290 . 1 . 1 116 116 TRP CB C 13 30.496 0.3 . 1 . . . . . 343 TRP CB . 27854 1 291 . 1 . 1 116 116 TRP N N 15 117.739 0.3 . 1 . . . . . 343 TRP N . 27854 1 292 . 1 . 1 117 117 ASN H H 1 9.898 0.020 . 1 . . . . . 344 ASN H . 27854 1 293 . 1 . 1 117 117 ASN CA C 13 52.905 0.3 . 1 . . . . . 344 ASN CA . 27854 1 294 . 1 . 1 117 117 ASN CB C 13 38.873 0.3 . 1 . . . . . 344 ASN CB . 27854 1 295 . 1 . 1 117 117 ASN N N 15 123.404 0.3 . 1 . . . . . 344 ASN N . 27854 1 296 . 1 . 1 120 120 GLU H H 1 8.200 0.020 . 1 . . . . . 347 GLU H . 27854 1 297 . 1 . 1 120 120 GLU CA C 13 52.404 0.3 . 1 . . . . . 347 GLU CA . 27854 1 298 . 1 . 1 120 120 GLU CB C 13 28.970 0.3 . 1 . . . . . 347 GLU CB . 27854 1 299 . 1 . 1 120 120 GLU N N 15 118.088 0.3 . 1 . . . . . 347 GLU N . 27854 1 300 . 1 . 1 122 122 ASN H H 1 9.391 0.020 . 1 . . . . . 349 ASN H . 27854 1 301 . 1 . 1 122 122 ASN CA C 13 52.429 0.3 . 1 . . . . . 349 ASN CA . 27854 1 302 . 1 . 1 122 122 ASN CB C 13 38.461 0.3 . 1 . . . . . 349 ASN CB . 27854 1 303 . 1 . 1 122 122 ASN N N 15 125.144 0.3 . 1 . . . . . 349 ASN N . 27854 1 304 . 1 . 1 123 123 ASN H H 1 11.468 0.020 . 1 . . . . . 350 ASN H . 27854 1 305 . 1 . 1 123 123 ASN CA C 13 54.872 0.3 . 1 . . . . . 350 ASN CA . 27854 1 306 . 1 . 1 123 123 ASN CB C 13 40.889 0.3 . 1 . . . . . 350 ASN CB . 27854 1 307 . 1 . 1 123 123 ASN N N 15 127.092 0.3 . 1 . . . . . 350 ASN N . 27854 1 308 . 1 . 1 124 124 VAL H H 1 7.335 0.020 . 1 . . . . . 351 VAL H . 27854 1 309 . 1 . 1 124 124 VAL CA C 13 65.618 0.3 . 1 . . . . . 351 VAL CA . 27854 1 310 . 1 . 1 124 124 VAL CB C 13 30.476 0.3 . 1 . . . . . 351 VAL CB . 27854 1 311 . 1 . 1 124 124 VAL N N 15 121.133 0.3 . 1 . . . . . 351 VAL N . 27854 1 312 . 1 . 1 125 125 GLY H H 1 8.409 0.020 . 1 . . . . . 352 GLY H . 27854 1 313 . 1 . 1 125 125 GLY CA C 13 47.021 0.3 . 1 . . . . . 352 GLY CA . 27854 1 314 . 1 . 1 125 125 GLY N N 15 116.807 0.3 . 1 . . . . . 352 GLY N . 27854 1 315 . 1 . 1 126 126 GLU H H 1 7.339 0.020 . 1 . . . . . 353 GLU H . 27854 1 316 . 1 . 1 126 126 GLU CA C 13 59.344 0.3 . 1 . . . . . 353 GLU CA . 27854 1 317 . 1 . 1 126 126 GLU CB C 13 26.654 0.3 . 1 . . . . . 353 GLU CB . 27854 1 318 . 1 . 1 126 126 GLU N N 15 110.094 0.3 . 1 . . . . . 353 GLU N . 27854 1 319 . 1 . 1 127 127 GLU H H 1 7.793 0.020 . 1 . . . . . 354 GLU H . 27854 1 320 . 1 . 1 127 127 GLU CA C 13 55.658 0.3 . 1 . . . . . 354 GLU CA . 27854 1 321 . 1 . 1 127 127 GLU CB C 13 30.333 0.3 . 1 . . . . . 354 GLU CB . 27854 1 322 . 1 . 1 127 127 GLU N N 15 124.859 0.3 . 1 . . . . . 354 GLU N . 27854 1 323 . 1 . 1 128 128 ASP H H 1 8.248 0.020 . 1 . . . . . 355 ASP H . 27854 1 324 . 1 . 1 128 128 ASP CA C 13 51.359 0.3 . 1 . . . . . 355 ASP CA . 27854 1 325 . 1 . 1 128 128 ASP CB C 13 41.267 0.3 . 1 . . . . . 355 ASP CB . 27854 1 326 . 1 . 1 128 128 ASP N N 15 125.251 0.3 . 1 . . . . . 355 ASP N . 27854 1 327 . 1 . 1 129 129 CYS H H 1 8.015 0.020 . 1 . . . . . 356 CYS H . 27854 1 328 . 1 . 1 129 129 CYS CA C 13 59.036 0.3 . 1 . . . . . 356 CYS CA . 27854 1 329 . 1 . 1 129 129 CYS CB C 13 49.256 0.3 . 1 . . . . . 356 CYS CB . 27854 1 330 . 1 . 1 129 129 CYS N N 15 116.727 0.3 . 1 . . . . . 356 CYS N . 27854 1 331 . 1 . 1 130 130 ALA H H 1 7.961 0.020 . 1 . . . . . 357 ALA H . 27854 1 332 . 1 . 1 130 130 ALA CA C 13 51.578 0.3 . 1 . . . . . 357 ALA CA . 27854 1 333 . 1 . 1 130 130 ALA CB C 13 21.741 0.3 . 1 . . . . . 357 ALA CB . 27854 1 334 . 1 . 1 130 130 ALA N N 15 125.625 0.3 . 1 . . . . . 357 ALA N . 27854 1 335 . 1 . 1 131 131 GLU H H 1 9.163 0.020 . 1 . . . . . 358 GLU H . 27854 1 336 . 1 . 1 131 131 GLU CA C 13 52.629 0.3 . 1 . . . . . 358 GLU CA . 27854 1 337 . 1 . 1 131 131 GLU N N 15 116.813 0.3 . 1 . . . . . 358 GLU N . 27854 1 338 . 1 . 1 132 132 PHE H H 1 9.395 0.020 . 1 . . . . . 359 PHE H . 27854 1 339 . 1 . 1 132 132 PHE CA C 13 58.840 0.3 . 1 . . . . . 359 PHE CA . 27854 1 340 . 1 . 1 132 132 PHE CB C 13 39.938 0.3 . 1 . . . . . 359 PHE CB . 27854 1 341 . 1 . 1 132 132 PHE N N 15 119.590 0.3 . 1 . . . . . 359 PHE N . 27854 1 342 . 1 . 1 133 133 SER H H 1 8.962 0.020 . 1 . . . . . 360 SER H . 27854 1 343 . 1 . 1 133 133 SER CA C 13 56.133 0.3 . 1 . . . . . 360 SER CA . 27854 1 344 . 1 . 1 133 133 SER CB C 13 64.005 0.3 . 1 . . . . . 360 SER CB . 27854 1 345 . 1 . 1 133 133 SER N N 15 117.230 0.3 . 1 . . . . . 360 SER N . 27854 1 346 . 1 . 1 134 134 GLY H H 1 8.837 0.020 . 1 . . . . . 361 GLY H . 27854 1 347 . 1 . 1 134 134 GLY CA C 13 47.123 0.3 . 1 . . . . . 361 GLY CA . 27854 1 348 . 1 . 1 134 134 GLY N N 15 116.732 0.3 . 1 . . . . . 361 GLY N . 27854 1 349 . 1 . 1 136 136 GLY H H 1 7.579 0.020 . 1 . . . . . 363 GLY H . 27854 1 350 . 1 . 1 136 136 GLY CA C 13 46.873 0.3 . 1 . . . . . 363 GLY CA . 27854 1 351 . 1 . 1 136 136 GLY N N 15 113.532 0.3 . 1 . . . . . 363 GLY N . 27854 1 352 . 1 . 1 137 137 TRP H H 1 8.501 0.020 . 1 . . . . . 364 TRP H . 27854 1 353 . 1 . 1 137 137 TRP CA C 13 52.729 0.3 . 1 . . . . . 364 TRP CA . 27854 1 354 . 1 . 1 137 137 TRP CB C 13 33.078 0.3 . 1 . . . . . 364 TRP CB . 27854 1 355 . 1 . 1 137 137 TRP N N 15 122.307 0.3 . 1 . . . . . 364 TRP N . 27854 1 356 . 1 . 1 138 138 ASN H H 1 9.174 0.020 . 1 . . . . . 365 ASN H . 27854 1 357 . 1 . 1 138 138 ASN CA C 13 51.929 0.3 . 1 . . . . . 365 ASN CA . 27854 1 358 . 1 . 1 138 138 ASN CB C 13 42.904 0.3 . 1 . . . . . 365 ASN CB . 27854 1 359 . 1 . 1 138 138 ASN N N 15 117.682 0.3 . 1 . . . . . 365 ASN N . 27854 1 360 . 1 . 1 139 139 ASP H H 1 8.933 0.020 . 1 . . . . . 366 ASP H . 27854 1 361 . 1 . 1 139 139 ASP CA C 13 52.229 0.3 . 1 . . . . . 366 ASP CA . 27854 1 362 . 1 . 1 139 139 ASP CB C 13 41.141 0.3 . 1 . . . . . 366 ASP CB . 27854 1 363 . 1 . 1 139 139 ASP N N 15 123.350 0.3 . 1 . . . . . 366 ASP N . 27854 1 364 . 1 . 1 140 140 ASP H H 1 9.797 0.020 . 1 . . . . . 367 ASP H . 27854 1 365 . 1 . 1 140 140 ASP CA C 13 51.353 0.3 . 1 . . . . . 367 ASP CA . 27854 1 366 . 1 . 1 140 140 ASP CB C 13 45.991 0.3 . 1 . . . . . 367 ASP CB . 27854 1 367 . 1 . 1 140 140 ASP N N 15 125.596 0.3 . 1 . . . . . 367 ASP N . 27854 1 368 . 1 . 1 141 141 LYS H H 1 9.935 0.020 . 1 . . . . . 368 LYS H . 27854 1 369 . 1 . 1 141 141 LYS CA C 13 58.135 0.3 . 1 . . . . . 368 LYS CA . 27854 1 370 . 1 . 1 141 141 LYS CB C 13 32.260 0.3 . 1 . . . . . 368 LYS CB . 27854 1 371 . 1 . 1 141 141 LYS N N 15 120.799 0.3 . 1 . . . . . 368 LYS N . 27854 1 372 . 1 . 1 142 142 CYS H H 1 8.417 0.020 . 1 . . . . . 369 CYS H . 27854 1 373 . 1 . 1 142 142 CYS CA C 13 58.085 0.3 . 1 . . . . . 369 CYS CA . 27854 1 374 . 1 . 1 142 142 CYS CB C 13 46.494 0.3 . 1 . . . . . 369 CYS CB . 27854 1 375 . 1 . 1 142 142 CYS N N 15 120.589 0.3 . 1 . . . . . 369 CYS N . 27854 1 376 . 1 . 1 143 143 ASN H H 1 8.293 0.020 . 1 . . . . . 370 ASN H . 27854 1 377 . 1 . 1 143 143 ASN CA C 13 54.106 0.3 . 1 . . . . . 370 ASN CA . 27854 1 378 . 1 . 1 143 143 ASN CB C 13 38.017 0.3 . 1 . . . . . 370 ASN CB . 27854 1 379 . 1 . 1 143 143 ASN N N 15 112.322 0.3 . 1 . . . . . 370 ASN N . 27854 1 380 . 1 . 1 144 144 LEU H H 1 8.072 0.020 . 1 . . . . . 371 LEU H . 27854 1 381 . 1 . 1 144 144 LEU CA C 13 55.057 0.3 . 1 . . . . . 371 LEU CA . 27854 1 382 . 1 . 1 144 144 LEU CB C 13 42.901 0.3 . 1 . . . . . 371 LEU CB . 27854 1 383 . 1 . 1 144 144 LEU N N 15 123.686 0.3 . 1 . . . . . 371 LEU N . 27854 1 384 . 1 . 1 145 145 ALA H H 1 8.132 0.020 . 1 . . . . . 372 ALA H . 27854 1 385 . 1 . 1 145 145 ALA CA C 13 51.278 0.3 . 1 . . . . . 372 ALA CA . 27854 1 386 . 1 . 1 145 145 ALA CB C 13 18.019 0.3 . 1 . . . . . 372 ALA CB . 27854 1 387 . 1 . 1 145 145 ALA N N 15 122.120 0.3 . 1 . . . . . 372 ALA N . 27854 1 388 . 1 . 1 146 146 LYS H H 1 8.521 0.020 . 1 . . . . . 373 LYS H . 27854 1 389 . 1 . 1 146 146 LYS CA C 13 55.082 0.3 . 1 . . . . . 373 LYS CA . 27854 1 390 . 1 . 1 146 146 LYS CB C 13 36.795 0.3 . 1 . . . . . 373 LYS CB . 27854 1 391 . 1 . 1 146 146 LYS N N 15 123.640 0.3 . 1 . . . . . 373 LYS N . 27854 1 392 . 1 . 1 147 147 PHE H H 1 7.270 0.020 . 1 . . . . . 374 PHE H . 27854 1 393 . 1 . 1 147 147 PHE CA C 13 59.887 0.3 . 1 . . . . . 374 PHE CA . 27854 1 394 . 1 . 1 147 147 PHE CB C 13 39.314 0.3 . 1 . . . . . 374 PHE CB . 27854 1 395 . 1 . 1 147 147 PHE N N 15 117.298 0.3 . 1 . . . . . 374 PHE N . 27854 1 396 . 1 . 1 148 148 TRP H H 1 8.875 0.020 . 1 . . . . . 375 TRP H . 27854 1 397 . 1 . 1 148 148 TRP CA C 13 58.811 0.3 . 1 . . . . . 375 TRP CA . 27854 1 398 . 1 . 1 148 148 TRP CB C 13 32.512 0.3 . 1 . . . . . 375 TRP CB . 27854 1 399 . 1 . 1 148 148 TRP N N 15 117.201 0.3 . 1 . . . . . 375 TRP N . 27854 1 400 . 1 . 1 149 149 ILE H H 1 6.565 0.020 . 1 . . . . . 376 ILE H . 27854 1 401 . 1 . 1 149 149 ILE CA C 13 59.036 0.3 . 1 . . . . . 376 ILE CA . 27854 1 402 . 1 . 1 149 149 ILE CB C 13 43.723 0.3 . 1 . . . . . 376 ILE CB . 27854 1 403 . 1 . 1 149 149 ILE N N 15 116.908 0.3 . 1 . . . . . 376 ILE N . 27854 1 404 . 1 . 1 150 150 CYS H H 1 9.034 0.020 . 1 . . . . . 377 CYS H . 27854 1 405 . 1 . 1 150 150 CYS CA C 13 51.428 0.3 . 1 . . . . . 377 CYS CA . 27854 1 406 . 1 . 1 150 150 CYS CB C 13 40.322 0.3 . 1 . . . . . 377 CYS CB . 27854 1 407 . 1 . 1 150 150 CYS N N 15 121.491 0.3 . 1 . . . . . 377 CYS N . 27854 1 408 . 1 . 1 151 151 LYS H H 1 9.289 0.020 . 1 . . . . . 378 LYS H . 27854 1 409 . 1 . 1 151 151 LYS CA C 13 54.932 0.3 . 1 . . . . . 378 LYS CA . 27854 1 410 . 1 . 1 151 151 LYS CB C 13 38.451 0.3 . 1 . . . . . 378 LYS CB . 27854 1 411 . 1 . 1 151 151 LYS N N 15 123.644 0.3 . 1 . . . . . 378 LYS N . 27854 1 412 . 1 . 1 152 152 LYS H H 1 9.099 0.020 . 1 . . . . . 379 LYS H . 27854 1 413 . 1 . 1 152 152 LYS CA C 13 55.157 0.3 . 1 . . . . . 379 LYS CA . 27854 1 414 . 1 . 1 152 152 LYS CB C 13 36.963 0.3 . 1 . . . . . 379 LYS CB . 27854 1 415 . 1 . 1 152 152 LYS N N 15 125.906 0.3 . 1 . . . . . 379 LYS N . 27854 1 416 . 1 . 1 154 154 ALA H H 1 7.990 0.020 . 1 . . . . . 381 ALA H . 27854 1 417 . 1 . 1 154 154 ALA CA C 13 53.297 0.3 . 1 . . . . . 381 ALA CA . 27854 1 418 . 1 . 1 154 154 ALA CB C 13 19.599 0.3 . 1 . . . . . 381 ALA CB . 27854 1 419 . 1 . 1 154 154 ALA N N 15 125.591 0.3 . 1 . . . . . 381 ALA N . 27854 1 420 . 1 . 1 161 161 GLU H H 1 8.243 0.020 . 1 . . . . . 388 GLU H . 27854 1 421 . 1 . 1 161 161 GLU CA C 13 57.109 0.3 . 1 . . . . . 388 GLU CA . 27854 1 422 . 1 . 1 161 161 GLU CB C 13 30.156 0.3 . 1 . . . . . 388 GLU CB . 27854 1 423 . 1 . 1 161 161 GLU N N 15 120.436 0.3 . 1 . . . . . 388 GLU N . 27854 1 424 . 1 . 1 162 162 GLU H H 1 8.223 0.020 . 1 . . . . . 389 GLU H . 27854 1 425 . 1 . 1 162 162 GLU CA C 13 57.234 0.3 . 1 . . . . . 389 GLU CA . 27854 1 426 . 1 . 1 162 162 GLU N N 15 120.997 0.3 . 1 . . . . . 389 GLU N . 27854 1 427 . 1 . 1 163 163 GLN H H 1 8.104 0.020 . 1 . . . . . 390 GLN H . 27854 1 428 . 1 . 1 163 163 GLN CA C 13 56.108 0.3 . 1 . . . . . 390 GLN CA . 27854 1 429 . 1 . 1 163 163 GLN CB C 13 30.412 0.3 . 1 . . . . . 390 GLN CB . 27854 1 430 . 1 . 1 163 163 GLN N N 15 119.653 0.3 . 1 . . . . . 390 GLN N . 27854 1 431 . 1 . 1 164 164 PHE H H 1 8.024 0.020 . 1 . . . . . 391 PHE H . 27854 1 432 . 1 . 1 164 164 PHE CA C 13 57.660 0.3 . 1 . . . . . 391 PHE CA . 27854 1 433 . 1 . 1 164 164 PHE N N 15 120.368 0.3 . 1 . . . . . 391 PHE N . 27854 1 434 . 1 . 1 168 168 ALA H H 1 8.134 0.020 . 1 . . . . . 395 ALA H . 27854 1 435 . 1 . 1 168 168 ALA CA C 13 54.256 0.3 . 1 . . . . . 395 ALA CA . 27854 1 436 . 1 . 1 168 168 ALA CB C 13 19.808 0.3 . 1 . . . . . 395 ALA CB . 27854 1 437 . 1 . 1 168 168 ALA N N 15 132.031 0.3 . 1 . . . . . 395 ALA N . 27854 1 438 . 1 . 1 170 170 ALA H H 1 8.223 0.020 . 1 . . . . . 397 ALA H . 27854 1 439 . 1 . 1 170 170 ALA CA C 13 50.427 0.3 . 1 . . . . . 397 ALA CA . 27854 1 440 . 1 . 1 170 170 ALA CB C 13 18.530 0.3 . 1 . . . . . 397 ALA CB . 27854 1 441 . 1 . 1 170 170 ALA N N 15 125.696 0.3 . 1 . . . . . 397 ALA N . 27854 1 442 . 1 . 1 171 171 THR H H 1 7.875 0.020 . 1 . . . . . 398 THR H . 27854 1 443 . 1 . 1 171 171 THR N N 15 116.155 0.3 . 1 . . . . . 398 THR N . 27854 1 444 . 1 . 1 173 173 ASN H H 1 7.944 0.020 . 1 . . . . . 400 ASN H . 27854 1 445 . 1 . 1 173 173 ASN CA C 13 51.278 0.3 . 1 . . . . . 400 ASN CA . 27854 1 446 . 1 . 1 173 173 ASN CB C 13 40.511 0.3 . 1 . . . . . 400 ASN CB . 27854 1 447 . 1 . 1 173 173 ASN N N 15 114.803 0.3 . 1 . . . . . 400 ASN N . 27854 1 448 . 1 . 1 177 177 ALA H H 1 7.803 0.020 . 1 . . . . . 404 ALA H . 27854 1 449 . 1 . 1 177 177 ALA CA C 13 53.705 0.3 . 1 . . . . . 404 ALA CA . 27854 1 450 . 1 . 1 177 177 ALA CB C 13 20.607 0.3 . 1 . . . . . 404 ALA CB . 27854 1 451 . 1 . 1 177 177 ALA N N 15 129.636 0.3 . 1 . . . . . 404 ALA N . 27854 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27854 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 27854 2 2 '3D HNCA' . . . 27854 2 3 '3D HN(CO)CA' . . . 27854 2 4 '3D CBCA(CO)NH' . . . 27854 2 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 27 27 HIS H H 1 7.675 0.020 . 1 . . . . . 254 HIS H . 27854 2 2 . 1 . 1 27 27 HIS CA C 13 59.011 0.3 . 1 . . . . . 254 HIS CA . 27854 2 3 . 1 . 1 27 27 HIS N N 15 118.787 0.3 . 1 . . . . . 254 HIS N . 27854 2 4 . 1 . 1 33 33 TRP H H 1 8.570 0.020 . 1 . . . . . 260 TRP H . 27854 2 5 . 1 . 1 33 33 TRP CA C 13 57.184 0.3 . 1 . . . . . 260 TRP CA . 27854 2 6 . 1 . 1 33 33 TRP N N 15 121.035 0.3 . 1 . . . . . 260 TRP N . 27854 2 7 . 1 . 1 34 34 THR H H 1 9.775 0.020 . 1 . . . . . 261 THR H . 27854 2 8 . 1 . 1 34 34 THR CA C 13 62.871 0.3 . 1 . . . . . 261 THR CA . 27854 2 9 . 1 . 1 34 34 THR N N 15 118.997 0.3 . 1 . . . . . 261 THR N . 27854 2 10 . 1 . 1 35 35 PHE H H 1 9.062 0.020 . 1 . . . . . 262 PHE H . 27854 2 11 . 1 . 1 35 35 PHE CA C 13 57.832 0.3 . 1 . . . . . 262 PHE CA . 27854 2 12 . 1 . 1 35 35 PHE N N 15 128.913 0.3 . 1 . . . . . 262 PHE N . 27854 2 13 . 1 . 1 36 36 PHE H H 1 8.703 0.020 . 1 . . . . . 263 PHE H . 27854 2 14 . 1 . 1 36 36 PHE CA C 13 58.886 0.3 . 1 . . . . . 263 PHE CA . 27854 2 15 . 1 . 1 36 36 PHE N N 15 126.855 0.3 . 1 . . . . . 263 PHE N . 27854 2 16 . 1 . 1 38 38 GLY H H 1 5.890 0.020 . 1 . . . . . 265 GLY H . 27854 2 17 . 1 . 1 38 38 GLY CA C 13 45.622 0.3 . 1 . . . . . 265 GLY CA . 27854 2 18 . 1 . 1 38 38 GLY N N 15 101.740 0.3 . 1 . . . . . 265 GLY N . 27854 2 19 . 1 . 1 39 39 ASN H H 1 7.594 0.020 . 1 . . . . . 266 ASN H . 27854 2 20 . 1 . 1 39 39 ASN CA C 13 52.229 0.3 . 1 . . . . . 266 ASN CA . 27854 2 21 . 1 . 1 39 39 ASN N N 15 118.021 0.3 . 1 . . . . . 266 ASN N . 27854 2 22 . 1 . 1 40 40 CYS H H 1 9.334 0.020 . 1 . . . . . 267 CYS H . 27854 2 23 . 1 . 1 40 40 CYS CA C 13 53.405 0.3 . 1 . . . . . 267 CYS CA . 27854 2 24 . 1 . 1 40 40 CYS N N 15 116.952 0.3 . 1 . . . . . 267 CYS N . 27854 2 25 . 1 . 1 41 41 TYR H H 1 9.973 0.020 . 1 . . . . . 268 TYR H . 27854 2 26 . 1 . 1 41 41 TYR CA C 13 56.984 0.3 . 1 . . . . . 268 TYR CA . 27854 2 27 . 1 . 1 41 41 TYR N N 15 121.397 0.3 . 1 . . . . . 268 TYR N . 27854 2 28 . 1 . 1 42 42 PHE H H 1 8.552 0.020 . 1 . . . . . 269 PHE H . 27854 2 29 . 1 . 1 42 42 PHE CA C 13 55.307 0.3 . 1 . . . . . 269 PHE CA . 27854 2 30 . 1 . 1 42 42 PHE N N 15 125.028 0.3 . 1 . . . . . 269 PHE N . 27854 2 31 . 1 . 1 43 43 MET H H 1 7.758 0.020 . 1 . . . . . 270 MET H . 27854 2 32 . 1 . 1 43 43 MET CA C 13 53.927 0.3 . 1 . . . . . 270 MET CA . 27854 2 33 . 1 . 1 43 43 MET N N 15 128.095 0.3 . 1 . . . . . 270 MET N . 27854 2 34 . 1 . 1 44 44 SER H H 1 7.773 0.020 . 1 . . . . . 271 SER H . 27854 2 35 . 1 . 1 44 44 SER CA C 13 59.086 0.3 . 1 . . . . . 271 SER CA . 27854 2 36 . 1 . 1 44 44 SER N N 15 120.581 0.3 . 1 . . . . . 271 SER N . 27854 2 37 . 1 . 1 46 46 SER H H 1 7.289 0.020 . 1 . . . . . 273 SER H . 27854 2 38 . 1 . 1 46 46 SER CA C 13 56.784 0.3 . 1 . . . . . 273 SER CA . 27854 2 39 . 1 . 1 46 46 SER N N 15 114.005 0.3 . 1 . . . . . 273 SER N . 27854 2 40 . 1 . 1 47 47 GLN H H 1 8.247 0.020 . 1 . . . . . 274 GLN H . 27854 2 41 . 1 . 1 47 47 GLN CA C 13 54.857 0.3 . 1 . . . . . 274 GLN CA . 27854 2 42 . 1 . 1 47 47 GLN N N 15 116.520 0.3 . 1 . . . . . 274 GLN N . 27854 2 43 . 1 . 1 48 48 ARG H H 1 9.684 0.020 . 1 . . . . . 275 ARG H . 27854 2 44 . 1 . 1 48 48 ARG CA C 13 55.627 0.3 . 1 . . . . . 275 ARG CA . 27854 2 45 . 1 . 1 48 48 ARG N N 15 123.171 0.3 . 1 . . . . . 275 ARG N . 27854 2 46 . 1 . 1 49 49 ASN H H 1 9.534 0.020 . 1 . . . . . 276 ASN H . 27854 2 47 . 1 . 1 49 49 ASN CA C 13 52.754 0.3 . 1 . . . . . 276 ASN CA . 27854 2 48 . 1 . 1 49 49 ASN N N 15 120.396 0.3 . 1 . . . . . 276 ASN N . 27854 2 49 . 1 . 1 50 50 TRP H H 1 8.041 0.020 . 1 . . . . . 277 TRP H . 27854 2 50 . 1 . 1 50 50 TRP CA C 13 64.242 0.3 . 1 . . . . . 277 TRP CA . 27854 2 51 . 1 . 1 50 50 TRP N N 15 121.584 0.3 . 1 . . . . . 277 TRP N . 27854 2 52 . 1 . 1 51 51 HIS H H 1 7.368 0.020 . 1 . . . . . 278 HIS H . 27854 2 53 . 1 . 1 51 51 HIS CA C 13 60.363 0.3 . 1 . . . . . 278 HIS CA . 27854 2 54 . 1 . 1 51 51 HIS N N 15 114.779 0.3 . 1 . . . . . 278 HIS N . 27854 2 55 . 1 . 1 52 52 ASP H H 1 8.968 0.020 . 1 . . . . . 279 ASP H . 27854 2 56 . 1 . 1 52 52 ASP CA C 13 56.133 0.3 . 1 . . . . . 279 ASP CA . 27854 2 57 . 1 . 1 52 52 ASP N N 15 119.076 0.3 . 1 . . . . . 279 ASP N . 27854 2 58 . 1 . 1 53 53 SER H H 1 8.060 0.020 . 1 . . . . . 280 SER H . 27854 2 59 . 1 . 1 53 53 SER CA C 13 63.216 0.3 . 1 . . . . . 280 SER CA . 27854 2 60 . 1 . 1 53 53 SER N N 15 124.112 0.3 . 1 . . . . . 280 SER N . 27854 2 61 . 1 . 1 54 54 ILE H H 1 7.057 0.020 . 1 . . . . . 281 ILE H . 27854 2 62 . 1 . 1 54 54 ILE CA C 13 65.193 0.3 . 1 . . . . . 281 ILE CA . 27854 2 63 . 1 . 1 54 54 ILE N N 15 122.053 0.3 . 1 . . . . . 281 ILE N . 27854 2 64 . 1 . 1 55 55 THR H H 1 7.318 0.020 . 1 . . . . . 282 THR H . 27854 2 65 . 1 . 1 55 55 THR CA C 13 66.244 0.3 . 1 . . . . . 282 THR CA . 27854 2 66 . 1 . 1 55 55 THR N N 15 116.173 0.3 . 1 . . . . . 282 THR N . 27854 2 67 . 1 . 1 56 56 ALA H H 1 7.772 0.020 . 1 . . . . . 283 ALA H . 27854 2 68 . 1 . 1 56 56 ALA CA C 13 55.032 0.3 . 1 . . . . . 283 ALA CA . 27854 2 69 . 1 . 1 56 56 ALA N N 15 123.691 0.3 . 1 . . . . . 283 ALA N . 27854 2 70 . 1 . 1 57 57 CYS H H 1 7.746 0.020 . 1 . . . . . 284 CYS H . 27854 2 71 . 1 . 1 57 57 CYS CA C 13 55.107 0.3 . 1 . . . . . 284 CYS CA . 27854 2 72 . 1 . 1 57 57 CYS N N 15 113.279 0.3 . 1 . . . . . 284 CYS N . 27854 2 73 . 1 . 1 58 58 LYS H H 1 8.280 0.020 . 1 . . . . . 285 LYS H . 27854 2 74 . 1 . 1 58 58 LYS CA C 13 60.187 0.3 . 1 . . . . . 285 LYS CA . 27854 2 75 . 1 . 1 58 58 LYS N N 15 124.401 0.3 . 1 . . . . . 285 LYS N . 27854 2 76 . 1 . 1 59 59 GLU H H 1 8.197 0.020 . 1 . . . . . 286 GLU H . 27854 2 77 . 1 . 1 59 59 GLU CA C 13 59.086 0.3 . 1 . . . . . 286 GLU CA . 27854 2 78 . 1 . 1 59 59 GLU N N 15 119.091 0.3 . 1 . . . . . 286 GLU N . 27854 2 79 . 1 . 1 60 60 VAL H H 1 7.166 0.020 . 1 . . . . . 287 VAL H . 27854 2 80 . 1 . 1 60 60 VAL CA C 13 59.812 0.3 . 1 . . . . . 287 VAL CA . 27854 2 81 . 1 . 1 60 60 VAL N N 15 108.916 0.3 . 1 . . . . . 287 VAL N . 27854 2 82 . 1 . 1 61 61 GLY H H 1 7.835 0.020 . 1 . . . . . 288 GLY H . 27854 2 83 . 1 . 1 61 61 GLY CA C 13 46.873 0.3 . 1 . . . . . 288 GLY CA . 27854 2 84 . 1 . 1 61 61 GLY N N 15 109.136 0.3 . 1 . . . . . 288 GLY N . 27854 2 85 . 1 . 1 62 62 ALA H H 1 8.274 0.020 . 1 . . . . . 289 ALA H . 27854 2 86 . 1 . 1 62 62 ALA CA C 13 49.826 0.3 . 1 . . . . . 289 ALA CA . 27854 2 87 . 1 . 1 62 62 ALA N N 15 122.007 0.3 . 1 . . . . . 289 ALA N . 27854 2 88 . 1 . 1 63 63 GLN H H 1 8.006 0.020 . 1 . . . . . 290 GLN H . 27854 2 89 . 1 . 1 63 63 GLN CA C 13 53.881 0.3 . 1 . . . . . 290 GLN CA . 27854 2 90 . 1 . 1 63 63 GLN N N 15 117.310 0.3 . 1 . . . . . 290 GLN N . 27854 2 91 . 1 . 1 64 64 LEU H H 1 8.874 0.020 . 1 . . . . . 291 LEU H . 27854 2 92 . 1 . 1 64 64 LEU CA C 13 57.560 0.3 . 1 . . . . . 291 LEU CA . 27854 2 93 . 1 . 1 64 64 LEU N N 15 132.092 0.3 . 1 . . . . . 291 LEU N . 27854 2 94 . 1 . 1 65 65 VAL H H 1 7.854 0.020 . 1 . . . . . 292 VAL H . 27854 2 95 . 1 . 1 65 65 VAL CA C 13 65.068 0.3 . 1 . . . . . 292 VAL CA . 27854 2 96 . 1 . 1 65 65 VAL N N 15 122.748 0.3 . 1 . . . . . 292 VAL N . 27854 2 97 . 1 . 1 66 66 VAL H H 1 6.969 0.020 . 1 . . . . . 293 VAL H . 27854 2 98 . 1 . 1 66 66 VAL CA C 13 60.212 0.3 . 1 . . . . . 293 VAL CA . 27854 2 99 . 1 . 1 66 66 VAL N N 15 127.066 0.3 . 1 . . . . . 293 VAL N . 27854 2 100 . 1 . 1 68 68 LYS H H 1 9.036 0.020 . 1 . . . . . 295 LYS H . 27854 2 101 . 1 . 1 68 68 LYS CA C 13 54.431 0.3 . 1 . . . . . 295 LYS CA . 27854 2 102 . 1 . 1 68 68 LYS N N 15 122.839 0.3 . 1 . . . . . 295 LYS N . 27854 2 103 . 1 . 1 69 69 SER H H 1 7.735 0.020 . 1 . . . . . 296 SER H . 27854 2 104 . 1 . 1 69 69 SER CA C 13 57.284 0.3 . 1 . . . . . 296 SER CA . 27854 2 105 . 1 . 1 69 69 SER N N 15 112.562 0.3 . 1 . . . . . 296 SER N . 27854 2 106 . 1 . 1 72 72 GLU H H 1 7.982 0.020 . 1 . . . . . 299 GLU H . 27854 2 107 . 1 . 1 72 72 GLU CA C 13 59.437 0.3 . 1 . . . . . 299 GLU CA . 27854 2 108 . 1 . 1 72 72 GLU N N 15 122.791 0.3 . 1 . . . . . 299 GLU N . 27854 2 109 . 1 . 1 73 73 GLN H H 1 7.788 0.020 . 1 . . . . . 300 GLN H . 27854 2 110 . 1 . 1 73 73 GLN CA C 13 58.386 0.3 . 1 . . . . . 300 GLN CA . 27854 2 111 . 1 . 1 73 73 GLN N N 15 121.578 0.3 . 1 . . . . . 300 GLN N . 27854 2 112 . 1 . 1 74 74 ASN H H 1 8.158 0.020 . 1 . . . . . 301 ASN H . 27854 2 113 . 1 . 1 74 74 ASN CA C 13 56.433 0.3 . 1 . . . . . 301 ASN CA . 27854 2 114 . 1 . 1 74 74 ASN N N 15 117.095 0.3 . 1 . . . . . 301 ASN N . 27854 2 115 . 1 . 1 75 75 PHE H H 1 7.496 0.020 . 1 . . . . . 302 PHE H . 27854 2 116 . 1 . 1 75 75 PHE CA C 13 60.288 0.3 . 1 . . . . . 302 PHE CA . 27854 2 117 . 1 . 1 75 75 PHE N N 15 119.784 0.3 . 1 . . . . . 302 PHE N . 27854 2 118 . 1 . 1 76 76 LEU H H 1 8.012 0.020 . 1 . . . . . 303 LEU H . 27854 2 119 . 1 . 1 76 76 LEU CA C 13 56.884 0.3 . 1 . . . . . 303 LEU CA . 27854 2 120 . 1 . 1 76 76 LEU N N 15 119.947 0.3 . 1 . . . . . 303 LEU N . 27854 2 121 . 1 . 1 77 77 GLN H H 1 8.866 0.020 . 1 . . . . . 304 GLN H . 27854 2 122 . 1 . 1 77 77 GLN CA C 13 58.761 0.3 . 1 . . . . . 304 GLN CA . 27854 2 123 . 1 . 1 77 77 GLN N N 15 122.056 0.3 . 1 . . . . . 304 GLN N . 27854 2 124 . 1 . 1 78 78 LEU H H 1 7.321 0.020 . 1 . . . . . 305 LEU H . 27854 2 125 . 1 . 1 78 78 LEU CA C 13 57.359 0.3 . 1 . . . . . 305 LEU CA . 27854 2 126 . 1 . 1 78 78 LEU N N 15 118.257 0.3 . 1 . . . . . 305 LEU N . 27854 2 127 . 1 . 1 79 79 GLN H H 1 7.224 0.020 . 1 . . . . . 306 GLN H . 27854 2 128 . 1 . 1 79 79 GLN CA C 13 57.860 0.3 . 1 . . . . . 306 GLN CA . 27854 2 129 . 1 . 1 79 79 GLN N N 15 115.991 0.3 . 1 . . . . . 306 GLN N . 27854 2 130 . 1 . 1 80 80 SER H H 1 7.399 0.020 . 1 . . . . . 307 SER H . 27854 2 131 . 1 . 1 80 80 SER CA C 13 61.614 0.3 . 1 . . . . . 307 SER CA . 27854 2 132 . 1 . 1 80 80 SER N N 15 113.880 0.3 . 1 . . . . . 307 SER N . 27854 2 133 . 1 . 1 81 81 SER H H 1 8.514 0.020 . 1 . . . . . 308 SER H . 27854 2 134 . 1 . 1 81 81 SER CA C 13 61.013 0.3 . 1 . . . . . 308 SER CA . 27854 2 135 . 1 . 1 81 81 SER N N 15 117.621 0.3 . 1 . . . . . 308 SER N . 27854 2 136 . 1 . 1 82 82 ARG H H 1 8.159 0.020 . 1 . . . . . 309 ARG H . 27854 2 137 . 1 . 1 82 82 ARG CA C 13 58.536 0.3 . 1 . . . . . 309 ARG CA . 27854 2 138 . 1 . 1 82 82 ARG N N 15 121.368 0.3 . 1 . . . . . 309 ARG N . 27854 2 139 . 1 . 1 85 85 ARG H H 1 7.511 0.020 . 1 . . . . . 312 ARG H . 27854 2 140 . 1 . 1 85 85 ARG CA C 13 55.457 0.3 . 1 . . . . . 312 ARG CA . 27854 2 141 . 1 . 1 85 85 ARG N N 15 116.623 0.3 . 1 . . . . . 312 ARG N . 27854 2 142 . 1 . 1 86 86 PHE H H 1 8.425 0.020 . 1 . . . . . 313 PHE H . 27854 2 143 . 1 . 1 86 86 PHE CA C 13 57.832 0.3 . 1 . . . . . 313 PHE CA . 27854 2 144 . 1 . 1 86 86 PHE N N 15 127.699 0.3 . 1 . . . . . 313 PHE N . 27854 2 145 . 1 . 1 87 87 THR H H 1 7.788 0.020 . 1 . . . . . 314 THR H . 27854 2 146 . 1 . 1 87 87 THR CA C 13 61.289 0.3 . 1 . . . . . 314 THR CA . 27854 2 147 . 1 . 1 87 87 THR N N 15 120.244 0.3 . 1 . . . . . 314 THR N . 27854 2 148 . 1 . 1 88 88 TRP H H 1 9.981 0.020 . 1 . . . . . 315 TRP H . 27854 2 149 . 1 . 1 88 88 TRP CA C 13 57.960 0.3 . 1 . . . . . 315 TRP CA . 27854 2 150 . 1 . 1 88 88 TRP N N 15 127.132 0.3 . 1 . . . . . 315 TRP N . 27854 2 151 . 1 . 1 89 89 MET H H 1 8.471 0.020 . 1 . . . . . 316 MET H . 27854 2 152 . 1 . 1 89 89 MET CA C 13 53.055 0.3 . 1 . . . . . 316 MET CA . 27854 2 153 . 1 . 1 89 89 MET N N 15 113.302 0.3 . 1 . . . . . 316 MET N . 27854 2 154 . 1 . 1 90 90 GLY H H 1 9.692 0.020 . 1 . . . . . 317 GLY H . 27854 2 155 . 1 . 1 90 90 GLY CA C 13 48.750 0.3 . 1 . . . . . 317 GLY CA . 27854 2 156 . 1 . 1 90 90 GLY N N 15 111.297 0.3 . 1 . . . . . 317 GLY N . 27854 2 157 . 1 . 1 91 91 LEU H H 1 8.274 0.020 . 1 . . . . . 318 LEU H . 27854 2 158 . 1 . 1 91 91 LEU CA C 13 54.882 0.3 . 1 . . . . . 318 LEU CA . 27854 2 159 . 1 . 1 91 91 LEU N N 15 128.303 0.3 . 1 . . . . . 318 LEU N . 27854 2 160 . 1 . 1 92 92 SER H H 1 8.470 0.020 . 1 . . . . . 319 SER H . 27854 2 161 . 1 . 1 92 92 SER CA C 13 58.736 0.3 . 1 . . . . . 319 SER CA . 27854 2 162 . 1 . 1 92 92 SER N N 15 120.240 0.3 . 1 . . . . . 319 SER N . 27854 2 163 . 1 . 1 93 93 ASP H H 1 7.855 0.020 . 1 . . . . . 320 ASP H . 27854 2 164 . 1 . 1 93 93 ASP CA C 13 51.603 0.3 . 1 . . . . . 320 ASP CA . 27854 2 165 . 1 . 1 93 93 ASP N N 15 123.798 0.3 . 1 . . . . . 320 ASP N . 27854 2 166 . 1 . 1 94 94 LEU H H 1 6.704 0.020 . 1 . . . . . 321 LEU H . 27854 2 167 . 1 . 1 94 94 LEU CA C 13 57.184 0.3 . 1 . . . . . 321 LEU CA . 27854 2 168 . 1 . 1 94 94 LEU N N 15 119.680 0.3 . 1 . . . . . 321 LEU N . 27854 2 169 . 1 . 1 96 96 GLN H H 1 7.659 0.020 . 1 . . . . . 323 GLN H . 27854 2 170 . 1 . 1 96 96 GLN CA C 13 55.182 0.3 . 1 . . . . . 323 GLN CA . 27854 2 171 . 1 . 1 96 96 GLN N N 15 120.606 0.3 . 1 . . . . . 323 GLN N . 27854 2 172 . 1 . 1 97 97 GLU H H 1 8.007 0.020 . 1 . . . . . 324 GLU H . 27854 2 173 . 1 . 1 97 97 GLU CA C 13 56.884 0.3 . 1 . . . . . 324 GLU CA . 27854 2 174 . 1 . 1 97 97 GLU N N 15 128.405 0.3 . 1 . . . . . 324 GLU N . 27854 2 175 . 1 . 1 98 98 GLY H H 1 10.611 0.020 . 1 . . . . . 325 GLY H . 27854 2 176 . 1 . 1 98 98 GLY CA C 13 45.040 0.3 . 1 . . . . . 325 GLY CA . 27854 2 177 . 1 . 1 98 98 GLY N N 15 119.999 0.3 . 1 . . . . . 325 GLY N . 27854 2 178 . 1 . 1 99 99 THR H H 1 8.530 0.020 . 1 . . . . . 326 THR H . 27854 2 179 . 1 . 1 99 99 THR CA C 13 61.564 0.3 . 1 . . . . . 326 THR CA . 27854 2 180 . 1 . 1 99 99 THR N N 15 121.319 0.3 . 1 . . . . . 326 THR N . 27854 2 181 . 1 . 1 100 100 TRP H H 1 8.711 0.020 . 1 . . . . . 327 TRP H . 27854 2 182 . 1 . 1 100 100 TRP CA C 13 57.710 0.3 . 1 . . . . . 327 TRP CA . 27854 2 183 . 1 . 1 100 100 TRP N N 15 128.916 0.3 . 1 . . . . . 327 TRP N . 27854 2 184 . 1 . 1 101 101 GLN H H 1 9.046 0.020 . 1 . . . . . 328 GLN H . 27854 2 185 . 1 . 1 101 101 GLN CA C 13 54.531 0.3 . 1 . . . . . 328 GLN CA . 27854 2 186 . 1 . 1 101 101 GLN N N 15 123.268 0.3 . 1 . . . . . 328 GLN N . 27854 2 187 . 1 . 1 102 102 TRP H H 1 9.436 0.020 . 1 . . . . . 329 TRP H . 27854 2 188 . 1 . 1 102 102 TRP CA C 13 56.834 0.3 . 1 . . . . . 329 TRP CA . 27854 2 189 . 1 . 1 102 102 TRP N N 15 128.676 0.3 . 1 . . . . . 329 TRP N . 27854 2 190 . 1 . 1 103 103 VAL H H 1 8.885 0.020 . 1 . . . . . 330 VAL H . 27854 2 191 . 1 . 1 103 103 VAL CA C 13 64.392 0.3 . 1 . . . . . 330 VAL CA . 27854 2 192 . 1 . 1 103 103 VAL N N 15 115.149 0.3 . 1 . . . . . 330 VAL N . 27854 2 193 . 1 . 1 104 104 ASP H H 1 7.398 0.020 . 1 . . . . . 331 ASP H . 27854 2 194 . 1 . 1 104 104 ASP CA C 13 53.505 0.3 . 1 . . . . . 331 ASP CA . 27854 2 195 . 1 . 1 104 104 ASP N N 15 117.978 0.3 . 1 . . . . . 331 ASP N . 27854 2 196 . 1 . 1 105 105 GLY H H 1 8.558 0.020 . 1 . . . . . 332 GLY H . 27854 2 197 . 1 . 1 105 105 GLY CA C 13 44.971 0.3 . 1 . . . . . 332 GLY CA . 27854 2 198 . 1 . 1 105 105 GLY N N 15 109.223 0.3 . 1 . . . . . 332 GLY N . 27854 2 199 . 1 . 1 106 106 SER H H 1 8.288 0.020 . 1 . . . . . 333 SER H . 27854 2 200 . 1 . 1 106 106 SER CA C 13 57.184 0.3 . 1 . . . . . 333 SER CA . 27854 2 201 . 1 . 1 106 106 SER N N 15 119.497 0.3 . 1 . . . . . 333 SER N . 27854 2 202 . 1 . 1 108 108 LEU H H 1 7.819 0.020 . 1 . . . . . 335 LEU H . 27854 2 203 . 1 . 1 108 108 LEU CA C 13 55.057 0.3 . 1 . . . . . 335 LEU CA . 27854 2 204 . 1 . 1 108 108 LEU N N 15 120.643 0.3 . 1 . . . . . 335 LEU N . 27854 2 205 . 1 . 1 109 109 LEU H H 1 8.697 0.020 . 1 . . . . . 336 LEU H . 27854 2 206 . 1 . 1 109 109 LEU CA C 13 53.956 0.3 . 1 . . . . . 336 LEU CA . 27854 2 207 . 1 . 1 109 109 LEU N N 15 132.028 0.3 . 1 . . . . . 336 LEU N . 27854 2 208 . 1 . 1 112 112 PHE H H 1 8.304 0.020 . 1 . . . . . 339 PHE H . 27854 2 209 . 1 . 1 112 112 PHE CA C 13 57.835 0.3 . 1 . . . . . 339 PHE CA . 27854 2 210 . 1 . 1 112 112 PHE N N 15 120.560 0.3 . 1 . . . . . 339 PHE N . 27854 2 211 . 1 . 1 113 113 LYS H H 1 7.483 0.020 . 1 . . . . . 340 LYS H . 27854 2 212 . 1 . 1 113 113 LYS CA C 13 59.236 0.3 . 1 . . . . . 340 LYS CA . 27854 2 213 . 1 . 1 113 113 LYS N N 15 118.819 0.3 . 1 . . . . . 340 LYS N . 27854 2 214 . 1 . 1 114 114 GLN H H 1 7.276 0.020 . 1 . . . . . 341 GLN H . 27854 2 215 . 1 . 1 114 114 GLN CA C 13 56.333 0.3 . 1 . . . . . 341 GLN CA . 27854 2 216 . 1 . 1 114 114 GLN N N 15 113.771 0.3 . 1 . . . . . 341 GLN N . 27854 2 217 . 1 . 1 115 115 TYR H H 1 6.691 0.020 . 1 . . . . . 342 TYR H . 27854 2 218 . 1 . 1 115 115 TYR CA C 13 58.185 0.3 . 1 . . . . . 342 TYR CA . 27854 2 219 . 1 . 1 115 115 TYR N N 15 118.569 0.3 . 1 . . . . . 342 TYR N . 27854 2 220 . 1 . 1 116 116 TRP H H 1 6.464 0.020 . 1 . . . . . 343 TRP H . 27854 2 221 . 1 . 1 116 116 TRP CA C 13 57.860 0.3 . 1 . . . . . 343 TRP CA . 27854 2 222 . 1 . 1 116 116 TRP N N 15 117.780 0.3 . 1 . . . . . 343 TRP N . 27854 2 223 . 1 . 1 117 117 ASN H H 1 9.995 0.020 . 1 . . . . . 344 ASN H . 27854 2 224 . 1 . 1 117 117 ASN CA C 13 52.905 0.3 . 1 . . . . . 344 ASN CA . 27854 2 225 . 1 . 1 117 117 ASN N N 15 123.504 0.3 . 1 . . . . . 344 ASN N . 27854 2 226 . 1 . 1 120 120 GLU H H 1 8.219 0.020 . 1 . . . . . 347 GLU H . 27854 2 227 . 1 . 1 120 120 GLU CA C 13 52.404 0.3 . 1 . . . . . 347 GLU CA . 27854 2 228 . 1 . 1 120 120 GLU N N 15 118.841 0.3 . 1 . . . . . 347 GLU N . 27854 2 229 . 1 . 1 122 122 ASN H H 1 9.497 0.020 . 1 . . . . . 349 ASN H . 27854 2 230 . 1 . 1 122 122 ASN CA C 13 52.429 0.3 . 1 . . . . . 349 ASN CA . 27854 2 231 . 1 . 1 122 122 ASN N N 15 124.253 0.3 . 1 . . . . . 349 ASN N . 27854 2 232 . 1 . 1 123 123 ASN H H 1 11.299 0.020 . 1 . . . . . 350 ASN H . 27854 2 233 . 1 . 1 123 123 ASN CA C 13 54.872 0.3 . 1 . . . . . 350 ASN CA . 27854 2 234 . 1 . 1 123 123 ASN N N 15 126.169 0.3 . 1 . . . . . 350 ASN N . 27854 2 235 . 1 . 1 124 124 VAL H H 1 7.153 0.020 . 1 . . . . . 351 VAL H . 27854 2 236 . 1 . 1 124 124 VAL CA C 13 65.618 0.3 . 1 . . . . . 351 VAL CA . 27854 2 237 . 1 . 1 124 124 VAL N N 15 121.397 0.3 . 1 . . . . . 351 VAL N . 27854 2 238 . 1 . 1 125 125 GLY H H 1 8.435 0.020 . 1 . . . . . 352 GLY H . 27854 2 239 . 1 . 1 125 125 GLY CA C 13 47.021 0.3 . 1 . . . . . 352 GLY CA . 27854 2 240 . 1 . 1 125 125 GLY N N 15 116.255 0.3 . 1 . . . . . 352 GLY N . 27854 2 241 . 1 . 1 126 126 GLU H H 1 7.354 0.020 . 1 . . . . . 353 GLU H . 27854 2 242 . 1 . 1 126 126 GLU CA C 13 59.344 0.3 . 1 . . . . . 353 GLU CA . 27854 2 243 . 1 . 1 126 126 GLU N N 15 110.135 0.3 . 1 . . . . . 353 GLU N . 27854 2 244 . 1 . 1 127 127 GLU H H 1 7.718 0.020 . 1 . . . . . 354 GLU H . 27854 2 245 . 1 . 1 127 127 GLU CA C 13 55.658 0.3 . 1 . . . . . 354 GLU CA . 27854 2 246 . 1 . 1 127 127 GLU N N 15 124.979 0.3 . 1 . . . . . 354 GLU N . 27854 2 247 . 1 . 1 128 128 ASP H H 1 8.142 0.020 . 1 . . . . . 355 ASP H . 27854 2 248 . 1 . 1 128 128 ASP CA C 13 51.359 0.3 . 1 . . . . . 355 ASP CA . 27854 2 249 . 1 . 1 128 128 ASP N N 15 125.116 0.3 . 1 . . . . . 355 ASP N . 27854 2 250 . 1 . 1 129 129 CYS H H 1 8.069 0.020 . 1 . . . . . 356 CYS H . 27854 2 251 . 1 . 1 129 129 CYS CA C 13 59.036 0.3 . 1 . . . . . 356 CYS CA . 27854 2 252 . 1 . 1 129 129 CYS N N 15 116.758 0.3 . 1 . . . . . 356 CYS N . 27854 2 253 . 1 . 1 130 130 ALA H H 1 7.971 0.020 . 1 . . . . . 357 ALA H . 27854 2 254 . 1 . 1 130 130 ALA CA C 13 51.578 0.3 . 1 . . . . . 357 ALA CA . 27854 2 255 . 1 . 1 130 130 ALA N N 15 125.805 0.3 . 1 . . . . . 357 ALA N . 27854 2 256 . 1 . 1 131 131 GLU H H 1 9.072 0.020 . 1 . . . . . 358 GLU H . 27854 2 257 . 1 . 1 131 131 GLU CA C 13 52.629 0.3 . 1 . . . . . 358 GLU CA . 27854 2 258 . 1 . 1 131 131 GLU N N 15 116.884 0.3 . 1 . . . . . 358 GLU N . 27854 2 259 . 1 . 1 132 132 PHE H H 1 9.452 0.020 . 1 . . . . . 359 PHE H . 27854 2 260 . 1 . 1 132 132 PHE CA C 13 58.840 0.3 . 1 . . . . . 359 PHE CA . 27854 2 261 . 1 . 1 132 132 PHE N N 15 119.819 0.3 . 1 . . . . . 359 PHE N . 27854 2 262 . 1 . 1 133 133 SER H H 1 8.901 0.020 . 1 . . . . . 360 SER H . 27854 2 263 . 1 . 1 133 133 SER CA C 13 56.133 0.3 . 1 . . . . . 360 SER CA . 27854 2 264 . 1 . 1 133 133 SER N N 15 116.881 0.3 . 1 . . . . . 360 SER N . 27854 2 265 . 1 . 1 134 134 GLY H H 1 8.918 0.020 . 1 . . . . . 361 GLY H . 27854 2 266 . 1 . 1 134 134 GLY CA C 13 47.123 0.3 . 1 . . . . . 361 GLY CA . 27854 2 267 . 1 . 1 134 134 GLY N N 15 117.036 0.3 . 1 . . . . . 361 GLY N . 27854 2 268 . 1 . 1 136 136 GLY H H 1 7.562 0.020 . 1 . . . . . 363 GLY H . 27854 2 269 . 1 . 1 136 136 GLY CA C 13 46.873 0.3 . 1 . . . . . 363 GLY CA . 27854 2 270 . 1 . 1 136 136 GLY N N 15 112.959 0.3 . 1 . . . . . 363 GLY N . 27854 2 271 . 1 . 1 137 137 TRP H H 1 8.464 0.020 . 1 . . . . . 364 TRP H . 27854 2 272 . 1 . 1 137 137 TRP CA C 13 52.729 0.3 . 1 . . . . . 364 TRP CA . 27854 2 273 . 1 . 1 137 137 TRP N N 15 122.369 0.3 . 1 . . . . . 364 TRP N . 27854 2 274 . 1 . 1 138 138 ASN H H 1 9.105 0.020 . 1 . . . . . 365 ASN H . 27854 2 275 . 1 . 1 138 138 ASN CA C 13 51.929 0.3 . 1 . . . . . 365 ASN CA . 27854 2 276 . 1 . 1 138 138 ASN N N 15 117.918 0.3 . 1 . . . . . 365 ASN N . 27854 2 277 . 1 . 1 139 139 ASP H H 1 9.097 0.020 . 1 . . . . . 366 ASP H . 27854 2 278 . 1 . 1 139 139 ASP CA C 13 52.229 0.3 . 1 . . . . . 366 ASP CA . 27854 2 279 . 1 . 1 139 139 ASP N N 15 121.474 0.3 . 1 . . . . . 366 ASP N . 27854 2 280 . 1 . 1 140 140 ASP H H 1 9.884 0.020 . 1 . . . . . 367 ASP H . 27854 2 281 . 1 . 1 140 140 ASP CA C 13 51.353 0.3 . 1 . . . . . 367 ASP CA . 27854 2 282 . 1 . 1 140 140 ASP N N 15 125.571 0.3 . 1 . . . . . 367 ASP N . 27854 2 283 . 1 . 1 141 141 LYS H H 1 9.667 0.020 . 1 . . . . . 368 LYS H . 27854 2 284 . 1 . 1 141 141 LYS CA C 13 58.135 0.3 . 1 . . . . . 368 LYS CA . 27854 2 285 . 1 . 1 141 141 LYS N N 15 120.704 0.3 . 1 . . . . . 368 LYS N . 27854 2 286 . 1 . 1 142 142 CYS H H 1 8.464 0.020 . 1 . . . . . 369 CYS H . 27854 2 287 . 1 . 1 142 142 CYS CA C 13 58.085 0.3 . 1 . . . . . 369 CYS CA . 27854 2 288 . 1 . 1 142 142 CYS N N 15 120.729 0.3 . 1 . . . . . 369 CYS N . 27854 2 289 . 1 . 1 143 143 ASN H H 1 8.296 0.020 . 1 . . . . . 370 ASN H . 27854 2 290 . 1 . 1 143 143 ASN CA C 13 54.106 0.3 . 1 . . . . . 370 ASN CA . 27854 2 291 . 1 . 1 143 143 ASN N N 15 112.509 0.3 . 1 . . . . . 370 ASN N . 27854 2 292 . 1 . 1 144 144 LEU H H 1 8.017 0.020 . 1 . . . . . 371 LEU H . 27854 2 293 . 1 . 1 144 144 LEU CA C 13 55.057 0.3 . 1 . . . . . 371 LEU CA . 27854 2 294 . 1 . 1 144 144 LEU N N 15 123.595 0.3 . 1 . . . . . 371 LEU N . 27854 2 295 . 1 . 1 145 145 ALA H H 1 8.145 0.020 . 1 . . . . . 372 ALA H . 27854 2 296 . 1 . 1 145 145 ALA CA C 13 51.278 0.3 . 1 . . . . . 372 ALA CA . 27854 2 297 . 1 . 1 145 145 ALA N N 15 122.108 0.3 . 1 . . . . . 372 ALA N . 27854 2 298 . 1 . 1 146 146 LYS H H 1 8.539 0.020 . 1 . . . . . 373 LYS H . 27854 2 299 . 1 . 1 146 146 LYS CA C 13 55.082 0.3 . 1 . . . . . 373 LYS CA . 27854 2 300 . 1 . 1 146 146 LYS N N 15 123.612 0.3 . 1 . . . . . 373 LYS N . 27854 2 301 . 1 . 1 147 147 PHE H H 1 7.302 0.020 . 1 . . . . . 374 PHE H . 27854 2 302 . 1 . 1 147 147 PHE CA C 13 59.887 0.3 . 1 . . . . . 374 PHE CA . 27854 2 303 . 1 . 1 147 147 PHE N N 15 117.392 0.3 . 1 . . . . . 374 PHE N . 27854 2 304 . 1 . 1 148 148 TRP H H 1 8.865 0.020 . 1 . . . . . 375 TRP H . 27854 2 305 . 1 . 1 148 148 TRP CA C 13 58.811 0.3 . 1 . . . . . 375 TRP CA . 27854 2 306 . 1 . 1 148 148 TRP N N 15 117.187 0.3 . 1 . . . . . 375 TRP N . 27854 2 307 . 1 . 1 149 149 ILE H H 1 6.571 0.020 . 1 . . . . . 376 ILE H . 27854 2 308 . 1 . 1 149 149 ILE CA C 13 59.036 0.3 . 1 . . . . . 376 ILE CA . 27854 2 309 . 1 . 1 149 149 ILE N N 15 116.975 0.3 . 1 . . . . . 376 ILE N . 27854 2 310 . 1 . 1 150 150 CYS H H 1 9.037 0.020 . 1 . . . . . 377 CYS H . 27854 2 311 . 1 . 1 150 150 CYS CA C 13 51.428 0.3 . 1 . . . . . 377 CYS CA . 27854 2 312 . 1 . 1 150 150 CYS N N 15 121.568 0.3 . 1 . . . . . 377 CYS N . 27854 2 313 . 1 . 1 151 151 LYS H H 1 9.294 0.020 . 1 . . . . . 378 LYS H . 27854 2 314 . 1 . 1 151 151 LYS CA C 13 54.932 0.3 . 1 . . . . . 378 LYS CA . 27854 2 315 . 1 . 1 151 151 LYS N N 15 123.742 0.3 . 1 . . . . . 378 LYS N . 27854 2 316 . 1 . 1 152 152 LYS H H 1 9.107 0.020 . 1 . . . . . 379 LYS H . 27854 2 317 . 1 . 1 152 152 LYS CA C 13 55.157 0.3 . 1 . . . . . 379 LYS CA . 27854 2 318 . 1 . 1 152 152 LYS N N 15 125.880 0.3 . 1 . . . . . 379 LYS N . 27854 2 319 . 1 . 1 154 154 ALA H H 1 7.990 0.020 . 1 . . . . . 381 ALA H . 27854 2 320 . 1 . 1 154 154 ALA CA C 13 53.297 0.3 . 1 . . . . . 381 ALA CA . 27854 2 321 . 1 . 1 154 154 ALA N N 15 125.637 0.3 . 1 . . . . . 381 ALA N . 27854 2 322 . 1 . 1 161 161 GLU H H 1 8.271 0.020 . 1 . . . . . 388 GLU H . 27854 2 323 . 1 . 1 161 161 GLU CA C 13 57.109 0.3 . 1 . . . . . 388 GLU CA . 27854 2 324 . 1 . 1 161 161 GLU N N 15 120.521 0.3 . 1 . . . . . 388 GLU N . 27854 2 325 . 1 . 1 162 162 GLU H H 1 8.232 0.020 . 1 . . . . . 389 GLU H . 27854 2 326 . 1 . 1 162 162 GLU CA C 13 57.234 0.3 . 1 . . . . . 389 GLU CA . 27854 2 327 . 1 . 1 162 162 GLU N N 15 121.053 0.3 . 1 . . . . . 389 GLU N . 27854 2 328 . 1 . 1 163 163 GLN H H 1 8.119 0.020 . 1 . . . . . 390 GLN H . 27854 2 329 . 1 . 1 163 163 GLN CA C 13 56.108 0.3 . 1 . . . . . 390 GLN CA . 27854 2 330 . 1 . 1 163 163 GLN N N 15 119.730 0.3 . 1 . . . . . 390 GLN N . 27854 2 331 . 1 . 1 164 164 PHE H H 1 8.046 0.020 . 1 . . . . . 391 PHE H . 27854 2 332 . 1 . 1 164 164 PHE CA C 13 57.660 0.3 . 1 . . . . . 391 PHE CA . 27854 2 333 . 1 . 1 164 164 PHE N N 15 120.447 0.3 . 1 . . . . . 391 PHE N . 27854 2 334 . 1 . 1 168 168 ALA H H 1 8.140 0.020 . 1 . . . . . 395 ALA H . 27854 2 335 . 1 . 1 168 168 ALA CA C 13 54.256 0.3 . 1 . . . . . 395 ALA CA . 27854 2 336 . 1 . 1 168 168 ALA N N 15 132.099 0.3 . 1 . . . . . 395 ALA N . 27854 2 337 . 1 . 1 170 170 ALA H H 1 8.233 0.020 . 1 . . . . . 397 ALA H . 27854 2 338 . 1 . 1 170 170 ALA CA C 13 50.427 0.3 . 1 . . . . . 397 ALA CA . 27854 2 339 . 1 . 1 170 170 ALA N N 15 125.744 0.3 . 1 . . . . . 397 ALA N . 27854 2 340 . 1 . 1 171 171 THR H H 1 7.913 0.020 . 1 . . . . . 398 THR H . 27854 2 341 . 1 . 1 171 171 THR N N 15 116.411 0.3 . 1 . . . . . 398 THR N . 27854 2 342 . 1 . 1 173 173 ASN H H 1 7.941 0.020 . 1 . . . . . 400 ASN H . 27854 2 343 . 1 . 1 173 173 ASN CA C 13 51.278 0.3 . 1 . . . . . 400 ASN CA . 27854 2 344 . 1 . 1 173 173 ASN N N 15 114.843 0.3 . 1 . . . . . 400 ASN N . 27854 2 345 . 1 . 1 177 177 ALA H H 1 7.806 0.020 . 1 . . . . . 404 ALA H . 27854 2 346 . 1 . 1 177 177 ALA CA C 13 53.705 0.3 . 1 . . . . . 404 ALA CA . 27854 2 347 . 1 . 1 177 177 ALA N N 15 129.672 0.3 . 1 . . . . . 404 ALA N . 27854 2 stop_ save_