################################### # 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 52387 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name XLF_CTR _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52387 1 2 '3D HNCO' . . . 52387 1 3 '3D HNCA' . . . 52387 1 4 '3D HNCACB' . . . 52387 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 1 $software_1 . . 52387 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 . 1 232 232 HIS H H 1 8.296 0.00 . 1 . . . . . 232 HIS H . 52387 1 2 . 1 . 1 232 232 HIS C C 13 174.914 0.00 . 1 . . . . . 232 HIS C . 52387 1 3 . 1 . 1 232 232 HIS N N 15 120.315 0.00 . 1 . . . . . 232 HIS N . 52387 1 4 . 1 . 1 233 233 GLN H H 1 8.352 0.01 . 1 . . . . . 233 GLN H . 52387 1 5 . 1 . 1 233 233 GLN C C 13 176.326 0.00 . 1 . . . . . 233 GLN C . 52387 1 6 . 1 . 1 233 233 GLN CA C 13 56.096 0.01 . 1 . . . . . 233 GLN CA . 52387 1 7 . 1 . 1 233 233 GLN CB C 13 29.688 0.00 . 1 . . . . . 233 GLN CB . 52387 1 8 . 1 . 1 233 233 GLN N N 15 122.484 0.05 . 1 . . . . . 233 GLN N . 52387 1 9 . 1 . 1 234 234 GLY H H 1 8.446 0.00 . 1 . . . . . 234 GLY H . 52387 1 10 . 1 . 1 234 234 GLY C C 13 173.921 0.00 . 1 . . . . . 234 GLY C . 52387 1 11 . 1 . 1 234 234 GLY CA C 13 45.249 0.03 . 1 . . . . . 234 GLY CA . 52387 1 12 . 1 . 1 234 234 GLY N N 15 111.207 0.01 . 1 . . . . . 234 GLY N . 52387 1 13 . 1 . 1 235 235 ALA H H 1 8.255 0.00 . 1 . . . . . 235 ALA H . 52387 1 14 . 1 . 1 235 235 ALA C C 13 178.186 0.00 . 1 . . . . . 235 ALA C . 52387 1 15 . 1 . 1 235 235 ALA CA C 13 52.684 0.05 . 1 . . . . . 235 ALA CA . 52387 1 16 . 1 . 1 235 235 ALA CB C 13 19.351 0.00 . 1 . . . . . 235 ALA CB . 52387 1 17 . 1 . 1 235 235 ALA N N 15 124.432 0.02 . 1 . . . . . 235 ALA N . 52387 1 18 . 1 . 1 236 236 GLY H H 1 8.329 0.00 . 1 . . . . . 236 GLY H . 52387 1 19 . 1 . 1 236 236 GLY C C 13 173.463 0.00 . 1 . . . . . 236 GLY C . 52387 1 20 . 1 . 1 236 236 GLY CA C 13 44.954 0.03 . 1 . . . . . 236 GLY CA . 52387 1 21 . 1 . 1 236 236 GLY N N 15 108.487 0.03 . 1 . . . . . 236 GLY N . 52387 1 22 . 1 . 1 237 237 ASP H H 1 8.102 0.00 . 1 . . . . . 237 ASP H . 52387 1 23 . 1 . 1 237 237 ASP CA C 13 52.200 0.03 . 1 . . . . . 237 ASP CA . 52387 1 24 . 1 . 1 237 237 ASP CB C 13 41.345 0.00 . 1 . . . . . 237 ASP CB . 52387 1 25 . 1 . 1 237 237 ASP N N 15 122.257 0.06 . 1 . . . . . 237 ASP N . 52387 1 26 . 1 . 1 239 239 HIS H H 1 8.553 0.00 . 1 . . . . . 239 HIS H . 52387 1 27 . 1 . 1 239 239 HIS C C 13 175.279 0.00 . 1 . . . . . 239 HIS C . 52387 1 28 . 1 . 1 239 239 HIS CA C 13 56.206 0.00 . 1 . . . . . 239 HIS CA . 52387 1 29 . 1 . 1 239 239 HIS N N 15 118.766 0.00 . 1 . . . . . 239 HIS N . 52387 1 30 . 1 . 1 240 240 THR H H 1 7.953 0.00 . 1 . . . . . 240 THR H . 52387 1 31 . 1 . 1 240 240 THR C C 13 174.640 0.00 . 1 . . . . . 240 THR C . 52387 1 32 . 1 . 1 240 240 THR CA C 13 61.813 0.02 . 1 . . . . . 240 THR CA . 52387 1 33 . 1 . 1 240 240 THR CB C 13 69.863 0.00 . 1 . . . . . 240 THR CB . 52387 1 34 . 1 . 1 240 240 THR N N 15 114.806 0.01 . 1 . . . . . 240 THR N . 52387 1 35 . 1 . 1 241 241 SER H H 1 8.303 0.00 . 1 . . . . . 241 SER H . 52387 1 36 . 1 . 1 241 241 SER C C 13 174.391 0.00 . 1 . . . . . 241 SER C . 52387 1 37 . 1 . 1 241 241 SER CA C 13 58.436 0.00 . 1 . . . . . 241 SER CA . 52387 1 38 . 1 . 1 241 241 SER CB C 13 64.027 0.00 . 1 . . . . . 241 SER CB . 52387 1 39 . 1 . 1 241 241 SER N N 15 118.502 0.02 . 1 . . . . . 241 SER N . 52387 1 40 . 1 . 1 242 242 ASN H H 1 8.450 0.00 . 1 . . . . . 242 ASN H . 52387 1 41 . 1 . 1 242 242 ASN C C 13 175.500 0.00 . 1 . . . . . 242 ASN C . 52387 1 42 . 1 . 1 242 242 ASN CA C 13 53.333 0.00 . 1 . . . . . 242 ASN CA . 52387 1 43 . 1 . 1 242 242 ASN N N 15 121.603 0.02 . 1 . . . . . 242 ASN N . 52387 1 44 . 1 . 1 243 243 SER H H 1 8.250 0.00 . 1 . . . . . 243 SER H . 52387 1 45 . 1 . 1 243 243 SER C C 13 174.648 0.00 . 1 . . . . . 243 SER C . 52387 1 46 . 1 . 1 243 243 SER CA C 13 59.207 0.15 . 1 . . . . . 243 SER CA . 52387 1 47 . 1 . 1 243 243 SER CB C 13 63.654 0.00 . 1 . . . . . 243 SER CB . 52387 1 48 . 1 . 1 243 243 SER N N 15 116.915 0.01 . 1 . . . . . 243 SER N . 52387 1 49 . 1 . 1 244 244 ALA H H 1 8.282 0.00 . 1 . . . . . 244 ALA H . 52387 1 50 . 1 . 1 244 244 ALA C C 13 178.023 0.00 . 1 . . . . . 244 ALA C . 52387 1 51 . 1 . 1 244 244 ALA CA C 13 52.955 0.01 . 1 . . . . . 244 ALA CA . 52387 1 52 . 1 . 1 244 244 ALA CB C 13 18.957 0.19 . 1 . . . . . 244 ALA CB . 52387 1 53 . 1 . 1 244 244 ALA N N 15 126.370 0.01 . 1 . . . . . 244 ALA N . 52387 1 54 . 1 . 1 245 245 SER H H 1 8.111 0.00 . 1 . . . . . 245 SER H . 52387 1 55 . 1 . 1 245 245 SER C C 13 174.830 0.00 . 1 . . . . . 245 SER C . 52387 1 56 . 1 . 1 245 245 SER CA C 13 58.582 0.08 . 1 . . . . . 245 SER CA . 52387 1 57 . 1 . 1 245 245 SER CB C 13 63.736 0.00 . 1 . . . . . 245 SER CB . 52387 1 58 . 1 . 1 245 245 SER N N 15 114.983 0.01 . 1 . . . . . 245 SER N . 52387 1 59 . 1 . 1 246 246 LEU H H 1 8.133 0.00 . 1 . . . . . 246 LEU H . 52387 1 60 . 1 . 1 246 246 LEU C C 13 177.351 0.00 . 1 . . . . . 246 LEU C . 52387 1 61 . 1 . 1 246 246 LEU CA C 13 55.401 0.01 . 1 . . . . . 246 LEU CA . 52387 1 62 . 1 . 1 246 246 LEU CB C 13 42.018 0.11 . 1 . . . . . 246 LEU CB . 52387 1 63 . 1 . 1 246 246 LEU N N 15 124.323 0.01 . 1 . . . . . 246 LEU N . 52387 1 64 . 1 . 1 247 247 GLN H H 1 8.187 0.00 . 1 . . . . . 247 GLN H . 52387 1 65 . 1 . 1 247 247 GLN C C 13 176.450 0.00 . 1 . . . . . 247 GLN C . 52387 1 66 . 1 . 1 247 247 GLN CA C 13 56.021 0.06 . 1 . . . . . 247 GLN CA . 52387 1 67 . 1 . 1 247 247 GLN CB C 13 29.520 0.00 . 1 . . . . . 247 GLN CB . 52387 1 68 . 1 . 1 247 247 GLN N N 15 120.696 0.02 . 1 . . . . . 247 GLN N . 52387 1 69 . 1 . 1 248 248 GLY H H 1 8.326 0.00 . 1 . . . . . 248 GLY H . 52387 1 70 . 1 . 1 248 248 GLY C C 13 174.310 0.00 . 1 . . . . . 248 GLY C . 52387 1 71 . 1 . 1 248 248 GLY CA C 13 45.404 0.05 . 1 . . . . . 248 GLY CA . 52387 1 72 . 1 . 1 248 248 GLY N N 15 110.540 0.02 . 1 . . . . . 248 GLY N . 52387 1 73 . 1 . 1 249 249 ILE H H 1 7.936 0.00 . 1 . . . . . 249 ILE H . 52387 1 74 . 1 . 1 249 249 ILE C C 13 176.116 0.00 . 1 . . . . . 249 ILE C . 52387 1 75 . 1 . 1 249 249 ILE CA C 13 61.363 0.05 . 1 . . . . . 249 ILE CA . 52387 1 76 . 1 . 1 249 249 ILE CB C 13 38.900 0.05 . 1 . . . . . 249 ILE CB . 52387 1 77 . 1 . 1 249 249 ILE N N 15 120.240 0.01 . 1 . . . . . 249 ILE N . 52387 1 78 . 1 . 1 250 250 ASP H H 1 8.391 0.00 . 1 . . . . . 250 ASP H . 52387 1 79 . 1 . 1 250 250 ASP C C 13 176.531 0.00 . 1 . . . . . 250 ASP C . 52387 1 80 . 1 . 1 250 250 ASP CA C 13 54.408 0.03 . 1 . . . . . 250 ASP CA . 52387 1 81 . 1 . 1 250 250 ASP CB C 13 41.229 0.00 . 1 . . . . . 250 ASP CB . 52387 1 82 . 1 . 1 250 250 ASP N N 15 124.300 0.01 . 1 . . . . . 250 ASP N . 52387 1 83 . 1 . 1 251 251 SER H H 1 8.162 0.00 . 1 . . . . . 251 SER H . 52387 1 84 . 1 . 1 251 251 SER C C 13 174.793 0.00 . 1 . . . . . 251 SER C . 52387 1 85 . 1 . 1 251 251 SER CA C 13 58.920 0.03 . 1 . . . . . 251 SER CA . 52387 1 86 . 1 . 1 251 251 SER CB C 13 63.735 0.01 . 1 . . . . . 251 SER CB . 52387 1 87 . 1 . 1 251 251 SER N N 15 117.061 0.03 . 1 . . . . . 251 SER N . 52387 1 88 . 1 . 1 252 252 GLN H H 1 8.341 0.00 . 1 . . . . . 252 GLN H . 52387 1 89 . 1 . 1 252 252 GLN C C 13 175.984 0.00 . 1 . . . . . 252 GLN C . 52387 1 90 . 1 . 1 252 252 GLN CA C 13 56.058 0.07 . 1 . . . . . 252 GLN CA . 52387 1 91 . 1 . 1 252 252 GLN CB C 13 29.271 0.00 . 1 . . . . . 252 GLN CB . 52387 1 92 . 1 . 1 252 252 GLN N N 15 121.850 0.01 . 1 . . . . . 252 GLN N . 52387 1 93 . 1 . 1 253 253 CYS H H 1 8.202 0.01 . 1 . . . . . 253 CYS H . 52387 1 94 . 1 . 1 253 253 CYS C C 13 174.609 0.00 . 1 . . . . . 253 CYS C . 52387 1 95 . 1 . 1 253 253 CYS CA C 13 58.764 0.05 . 1 . . . . . 253 CYS CA . 52387 1 96 . 1 . 1 253 253 CYS CB C 13 27.878 0.01 . 1 . . . . . 253 CYS CB . 52387 1 97 . 1 . 1 253 253 CYS N N 15 120.506 0.07 . 1 . . . . . 253 CYS N . 52387 1 98 . 1 . 1 254 254 VAL H H 1 8.103 0.00 . 1 . . . . . 254 VAL H . 52387 1 99 . 1 . 1 254 254 VAL C C 13 175.717 0.00 . 1 . . . . . 254 VAL C . 52387 1 100 . 1 . 1 254 254 VAL CA C 13 62.427 0.02 . 1 . . . . . 254 VAL CA . 52387 1 101 . 1 . 1 254 254 VAL CB C 13 32.825 0.13 . 1 . . . . . 254 VAL CB . 52387 1 102 . 1 . 1 254 254 VAL N N 15 122.337 0.03 . 1 . . . . . 254 VAL N . 52387 1 103 . 1 . 1 255 255 ASN H H 1 8.395 0.00 . 1 . . . . . 255 ASN H . 52387 1 104 . 1 . 1 255 255 ASN C C 13 177.195 0.00 . 1 . . . . . 255 ASN C . 52387 1 105 . 1 . 1 255 255 ASN CA C 13 53.226 0.04 . 1 . . . . . 255 ASN CA . 52387 1 106 . 1 . 1 255 255 ASN CB C 13 39.058 0.00 . 1 . . . . . 255 ASN CB . 52387 1 107 . 1 . 1 255 255 ASN N N 15 122.543 0.02 . 1 . . . . . 255 ASN N . 52387 1 108 . 1 . 1 256 256 GLN H H 1 8.264 0.00 . 1 . . . . . 256 GLN H . 52387 1 109 . 1 . 1 256 256 GLN CA C 13 53.765 0.06 . 1 . . . . . 256 GLN CA . 52387 1 110 . 1 . 1 256 256 GLN CB C 13 29.034 0.00 . 1 . . . . . 256 GLN CB . 52387 1 111 . 1 . 1 256 256 GLN N N 15 122.155 0.05 . 1 . . . . . 256 GLN N . 52387 1 112 . 1 . 1 257 257 PRO C C 13 177.069 0.00 . 1 . . . . . 257 PRO C . 52387 1 113 . 1 . 1 257 257 PRO CA C 13 63.421 0.00 . 1 . . . . . 257 PRO CA . 52387 1 114 . 1 . 1 257 257 PRO CB C 13 32.057 0.00 . 1 . . . . . 257 PRO CB . 52387 1 115 . 1 . 1 258 258 GLU H H 1 8.544 0.00 . 1 . . . . . 258 GLU H . 52387 1 116 . 1 . 1 258 258 GLU C C 13 176.568 0.00 . 1 . . . . . 258 GLU C . 52387 1 117 . 1 . 1 258 258 GLU CA C 13 56.980 0.03 . 1 . . . . . 258 GLU CA . 52387 1 118 . 1 . 1 258 258 GLU CB C 13 30.104 0.00 . 1 . . . . . 258 GLU CB . 52387 1 119 . 1 . 1 258 258 GLU N N 15 121.366 0.01 . 1 . . . . . 258 GLU N . 52387 1 120 . 1 . 1 259 259 GLN H H 1 8.298 0.00 . 1 . . . . . 259 GLN H . 52387 1 121 . 1 . 1 259 259 GLN C C 13 175.716 0.00 . 1 . . . . . 259 GLN C . 52387 1 122 . 1 . 1 259 259 GLN CA C 13 55.759 0.04 . 1 . . . . . 259 GLN CA . 52387 1 123 . 1 . 1 259 259 GLN CB C 13 29.619 0.00 . 1 . . . . . 259 GLN CB . 52387 1 124 . 1 . 1 259 259 GLN N N 15 121.593 0.01 . 1 . . . . . 259 GLN N . 52387 1 125 . 1 . 1 260 260 LEU H H 1 8.205 0.00 . 1 . . . . . 260 LEU H . 52387 1 126 . 1 . 1 260 260 LEU C C 13 177.293 0.00 . 1 . . . . . 260 LEU C . 52387 1 127 . 1 . 1 260 260 LEU CA C 13 55.289 0.05 . 1 . . . . . 260 LEU CA . 52387 1 128 . 1 . 1 260 260 LEU CB C 13 42.359 0.04 . 1 . . . . . 260 LEU CB . 52387 1 129 . 1 . 1 260 260 LEU N N 15 124.279 0.01 . 1 . . . . . 260 LEU N . 52387 1 130 . 1 . 1 261 261 VAL H H 1 8.079 0.00 . 1 . . . . . 261 VAL H . 52387 1 131 . 1 . 1 261 261 VAL C C 13 176.145 0.00 . 1 . . . . . 261 VAL C . 52387 1 132 . 1 . 1 261 261 VAL CA C 13 62.292 0.04 . 1 . . . . . 261 VAL CA . 52387 1 133 . 1 . 1 261 261 VAL CB C 13 32.857 0.00 . 1 . . . . . 261 VAL CB . 52387 1 134 . 1 . 1 261 261 VAL N N 15 121.757 0.08 . 1 . . . . . 261 VAL N . 52387 1 135 . 1 . 1 262 262 SER H H 1 8.335 0.00 . 1 . . . . . 262 SER H . 52387 1 136 . 1 . 1 262 262 SER C C 13 174.476 0.00 . 1 . . . . . 262 SER C . 52387 1 137 . 1 . 1 262 262 SER CA C 13 58.118 0.04 . 1 . . . . . 262 SER CA . 52387 1 138 . 1 . 1 262 262 SER CB C 13 64.022 0.00 . 1 . . . . . 262 SER CB . 52387 1 139 . 1 . 1 262 262 SER N N 15 120.061 0.03 . 1 . . . . . 262 SER N . 52387 1 140 . 1 . 1 263 263 SER H H 1 8.263 0.00 . 1 . . . . . 263 SER H . 52387 1 141 . 1 . 1 263 263 SER C C 13 173.704 0.00 . 1 . . . . . 263 SER C . 52387 1 142 . 1 . 1 263 263 SER CA C 13 58.123 0.02 . 1 . . . . . 263 SER CA . 52387 1 143 . 1 . 1 263 263 SER CB C 13 64.025 0.02 . 1 . . . . . 263 SER CB . 52387 1 144 . 1 . 1 263 263 SER N N 15 118.642 0.02 . 1 . . . . . 263 SER N . 52387 1 145 . 1 . 1 264 264 ALA H H 1 8.199 0.00 . 1 . . . . . 264 ALA H . 52387 1 146 . 1 . 1 264 264 ALA CA C 13 50.700 0.02 . 1 . . . . . 264 ALA CA . 52387 1 147 . 1 . 1 264 264 ALA CB C 13 18.243 0.00 . 1 . . . . . 264 ALA CB . 52387 1 148 . 1 . 1 264 264 ALA N N 15 127.519 0.01 . 1 . . . . . 264 ALA N . 52387 1 149 . 1 . 1 265 265 PRO C C 13 177.049 0.00 . 1 . . . . . 265 PRO C . 52387 1 150 . 1 . 1 265 265 PRO CA C 13 63.207 0.00 . 1 . . . . . 265 PRO CA . 52387 1 151 . 1 . 1 265 265 PRO CB C 13 32.061 0.00 . 1 . . . . . 265 PRO CB . 52387 1 152 . 1 . 1 266 266 THR H H 1 8.186 0.00 . 1 . . . . . 266 THR H . 52387 1 153 . 1 . 1 266 266 THR C C 13 174.514 0.00 . 1 . . . . . 266 THR C . 52387 1 154 . 1 . 1 266 266 THR CA C 13 61.886 0.07 . 1 . . . . . 266 THR CA . 52387 1 155 . 1 . 1 266 266 THR CB C 13 69.797 0.03 . 1 . . . . . 266 THR CB . 52387 1 156 . 1 . 1 266 266 THR N N 15 115.334 0.02 . 1 . . . . . 266 THR N . 52387 1 157 . 1 . 1 267 267 LEU H H 1 8.232 0.00 . 1 . . . . . 267 LEU H . 52387 1 158 . 1 . 1 267 267 LEU C C 13 177.163 0.00 . 1 . . . . . 267 LEU C . 52387 1 159 . 1 . 1 267 267 LEU CA C 13 55.092 0.01 . 1 . . . . . 267 LEU CA . 52387 1 160 . 1 . 1 267 267 LEU CB C 13 42.550 0.08 . 1 . . . . . 267 LEU CB . 52387 1 161 . 1 . 1 267 267 LEU N N 15 125.484 0.01 . 1 . . . . . 267 LEU N . 52387 1 162 . 1 . 1 268 268 SER H H 1 8.226 0.00 . 1 . . . . . 268 SER H . 52387 1 163 . 1 . 1 268 268 SER C C 13 173.621 0.00 . 1 . . . . . 268 SER C . 52387 1 164 . 1 . 1 268 268 SER CA C 13 58.101 0.04 . 1 . . . . . 268 SER CA . 52387 1 165 . 1 . 1 268 268 SER CB C 13 63.972 0.04 . 1 . . . . . 268 SER CB . 52387 1 166 . 1 . 1 268 268 SER N N 15 117.630 0.03 . 1 . . . . . 268 SER N . 52387 1 167 . 1 . 1 269 269 ALA H H 1 8.252 0.00 . 1 . . . . . 269 ALA H . 52387 1 168 . 1 . 1 269 269 ALA CA C 13 50.763 0.01 . 1 . . . . . 269 ALA CA . 52387 1 169 . 1 . 1 269 269 ALA CB C 13 18.286 0.00 . 1 . . . . . 269 ALA CB . 52387 1 170 . 1 . 1 269 269 ALA N N 15 127.488 0.01 . 1 . . . . . 269 ALA N . 52387 1 171 . 1 . 1 270 270 PRO C C 13 177.175 0.00 . 1 . . . . . 270 PRO C . 52387 1 172 . 1 . 1 270 270 PRO CA C 13 63.323 0.02 . 1 . . . . . 270 PRO CA . 52387 1 173 . 1 . 1 271 271 GLU H H 1 8.502 0.00 . 1 . . . . . 271 GLU H . 52387 1 174 . 1 . 1 271 271 GLU C C 13 176.740 0.00 . 1 . . . . . 271 GLU C . 52387 1 175 . 1 . 1 271 271 GLU CA C 13 56.781 0.13 . 1 . . . . . 271 GLU CA . 52387 1 176 . 1 . 1 271 271 GLU CB C 13 30.165 0.00 . 1 . . . . . 271 GLU CB . 52387 1 177 . 1 . 1 271 271 GLU N N 15 121.440 0.01 . 1 . . . . . 271 GLU N . 52387 1 178 . 1 . 1 272 272 LYS H H 1 8.255 0.00 . 1 . . . . . 272 LYS H . 52387 1 179 . 1 . 1 272 272 LYS C C 13 176.609 0.00 . 1 . . . . . 272 LYS C . 52387 1 180 . 1 . 1 272 272 LYS CA C 13 56.527 0.03 . 1 . . . . . 272 LYS CA . 52387 1 181 . 1 . 1 272 272 LYS CB C 13 33.164 0.00 . 1 . . . . . 272 LYS CB . 52387 1 182 . 1 . 1 272 272 LYS N N 15 122.572 0.01 . 1 . . . . . 272 LYS N . 52387 1 183 . 1 . 1 273 273 GLU H H 1 8.374 0.00 . 1 . . . . . 273 GLU H . 52387 1 184 . 1 . 1 273 273 GLU C C 13 176.638 0.00 . 1 . . . . . 273 GLU C . 52387 1 185 . 1 . 1 273 273 GLU CA C 13 56.701 0.06 . 1 . . . . . 273 GLU CA . 52387 1 186 . 1 . 1 273 273 GLU CB C 13 30.273 0.03 . 1 . . . . . 273 GLU CB . 52387 1 187 . 1 . 1 273 273 GLU N N 15 122.423 0.04 . 1 . . . . . 273 GLU N . 52387 1 188 . 1 . 1 274 274 SER H H 1 8.376 0.00 . 1 . . . . . 274 SER H . 52387 1 189 . 1 . 1 274 274 SER C C 13 174.992 0.00 . 1 . . . . . 274 SER C . 52387 1 190 . 1 . 1 274 274 SER CA C 13 58.332 0.12 . 1 . . . . . 274 SER CA . 52387 1 191 . 1 . 1 274 274 SER CB C 13 63.671 0.07 . 1 . . . . . 274 SER CB . 52387 1 192 . 1 . 1 274 274 SER N N 15 117.563 0.01 . 1 . . . . . 274 SER N . 52387 1 193 . 1 . 1 275 275 THR H H 1 8.194 0.00 . 1 . . . . . 275 THR H . 52387 1 194 . 1 . 1 275 275 THR C C 13 175.291 0.00 . 1 . . . . . 275 THR C . 52387 1 195 . 1 . 1 275 275 THR CA C 13 62.086 0.03 . 1 . . . . . 275 THR CA . 52387 1 196 . 1 . 1 275 275 THR CB C 13 69.820 0.00 . 1 . . . . . 275 THR CB . 52387 1 197 . 1 . 1 275 275 THR N N 15 116.054 0.01 . 1 . . . . . 275 THR N . 52387 1 198 . 1 . 1 276 276 GLY H H 1 8.381 0.00 . 1 . . . . . 276 GLY H . 52387 1 199 . 1 . 1 276 276 GLY C C 13 174.506 0.00 . 1 . . . . . 276 GLY C . 52387 1 200 . 1 . 1 276 276 GLY CA C 13 45.553 0.03 . 1 . . . . . 276 GLY CA . 52387 1 201 . 1 . 1 276 276 GLY N N 15 111.572 0.02 . 1 . . . . . 276 GLY N . 52387 1 202 . 1 . 1 277 277 THR H H 1 8.066 0.00 . 1 . . . . . 277 THR H . 52387 1 203 . 1 . 1 277 277 THR C C 13 174.738 0.00 . 1 . . . . . 277 THR C . 52387 1 204 . 1 . 1 277 277 THR CA C 13 61.730 0.07 . 1 . . . . . 277 THR CA . 52387 1 205 . 1 . 1 277 277 THR CB C 13 69.884 0.00 . 1 . . . . . 277 THR CB . 52387 1 206 . 1 . 1 277 277 THR N N 15 113.782 0.02 . 1 . . . . . 277 THR N . 52387 1 207 . 1 . 1 278 278 SER H H 1 8.306 0.00 . 1 . . . . . 278 SER H . 52387 1 208 . 1 . 1 278 278 SER C C 13 174.537 0.00 . 1 . . . . . 278 SER C . 52387 1 209 . 1 . 1 278 278 SER CA C 13 58.362 0.10 . 1 . . . . . 278 SER CA . 52387 1 210 . 1 . 1 278 278 SER CB C 13 64.153 0.00 . 1 . . . . . 278 SER CB . 52387 1 211 . 1 . 1 278 278 SER N N 15 118.503 0.01 . 1 . . . . . 278 SER N . 52387 1 212 . 1 . 1 279 279 GLY H H 1 8.200 0.00 . 1 . . . . . 279 GLY H . 52387 1 213 . 1 . 1 279 279 GLY CA C 13 44.844 0.00 . 1 . . . . . 279 GLY CA . 52387 1 214 . 1 . 1 279 279 GLY N N 15 111.381 0.00 . 1 . . . . . 279 GLY N . 52387 1 215 . 1 . 1 280 280 PRO C C 13 174.612 0.00 . 1 . . . . . 280 PRO C . 52387 1 216 . 1 . 1 280 280 PRO CA C 13 63.306 0.00 . 1 . . . . . 280 PRO CA . 52387 1 217 . 1 . 1 281 281 LEU H H 1 8.272 0.01 . 1 . . . . . 281 LEU H . 52387 1 218 . 1 . 1 281 281 LEU C C 13 177.369 0.00 . 1 . . . . . 281 LEU C . 52387 1 219 . 1 . 1 281 281 LEU CA C 13 55.242 0.08 . 1 . . . . . 281 LEU CA . 52387 1 220 . 1 . 1 281 281 LEU CB C 13 42.108 0.00 . 1 . . . . . 281 LEU CB . 52387 1 221 . 1 . 1 281 281 LEU N N 15 122.120 0.03 . 1 . . . . . 281 LEU N . 52387 1 222 . 1 . 1 282 282 GLN H H 1 8.196 0.00 . 1 . . . . . 282 GLN H . 52387 1 223 . 1 . 1 282 282 GLN C C 13 176.302 0.00 . 1 . . . . . 282 GLN C . 52387 1 224 . 1 . 1 282 282 GLN CA C 13 55.509 0.03 . 1 . . . . . 282 GLN CA . 52387 1 225 . 1 . 1 282 282 GLN CB C 13 29.550 0.00 . 1 . . . . . 282 GLN CB . 52387 1 226 . 1 . 1 282 282 GLN N N 15 121.543 0.01 . 1 . . . . . 282 GLN N . 52387 1 227 . 1 . 1 283 283 ARG H H 1 8.266 0.00 . 1 . . . . . 283 ARG H . 52387 1 228 . 1 . 1 283 283 ARG CA C 13 54.181 0.00 . 1 . . . . . 283 ARG CA . 52387 1 229 . 1 . 1 283 283 ARG CB C 13 30.203 0.00 . 1 . . . . . 283 ARG CB . 52387 1 230 . 1 . 1 283 283 ARG N N 15 123.715 0.05 . 1 . . . . . 283 ARG N . 52387 1 231 . 1 . 1 284 284 PRO C C 13 176.888 0.00 . 1 . . . . . 284 PRO C . 52387 1 232 . 1 . 1 284 284 PRO CA C 13 63.300 0.04 . 1 . . . . . 284 PRO CA . 52387 1 233 . 1 . 1 284 284 PRO CB C 13 31.970 0.00 . 1 . . . . . 284 PRO CB . 52387 1 234 . 1 . 1 285 285 GLN H H 1 8.496 0.00 . 1 . . . . . 285 GLN H . 52387 1 235 . 1 . 1 285 285 GLN C C 13 176.109 0.00 . 1 . . . . . 285 GLN C . 52387 1 236 . 1 . 1 285 285 GLN CA C 13 55.825 0.00 . 1 . . . . . 285 GLN CA . 52387 1 237 . 1 . 1 285 285 GLN N N 15 121.327 0.08 . 1 . . . . . 285 GLN N . 52387 1 238 . 1 . 1 286 286 LEU H H 1 8.244 0.00 . 1 . . . . . 286 LEU H . 52387 1 239 . 1 . 1 286 286 LEU C C 13 177.437 0.00 . 1 . . . . . 286 LEU C . 52387 1 240 . 1 . 1 286 286 LEU CA C 13 55.384 0.04 . 1 . . . . . 286 LEU CA . 52387 1 241 . 1 . 1 286 286 LEU CB C 13 42.630 0.00 . 1 . . . . . 286 LEU CB . 52387 1 242 . 1 . 1 286 286 LEU N N 15 124.159 0.04 . 1 . . . . . 286 LEU N . 52387 1 243 . 1 . 1 287 287 SER H H 1 8.223 0.00 . 1 . . . . . 287 SER H . 52387 1 244 . 1 . 1 287 287 SER C C 13 174.660 0.00 . 1 . . . . . 287 SER C . 52387 1 245 . 1 . 1 287 287 SER CA C 13 58.453 0.00 . 1 . . . . . 287 SER CA . 52387 1 246 . 1 . 1 287 287 SER N N 15 116.881 0.01 . 1 . . . . . 287 SER N . 52387 1 247 . 1 . 1 288 288 LYS H H 1 8.311 0.00 . 1 . . . . . 288 LYS H . 52387 1 248 . 1 . 1 288 288 LYS C C 13 176.562 0.00 . 1 . . . . . 288 LYS C . 52387 1 249 . 1 . 1 288 288 LYS CA C 13 56.485 0.04 . 1 . . . . . 288 LYS CA . 52387 1 250 . 1 . 1 288 288 LYS N N 15 123.930 0.02 . 1 . . . . . 288 LYS N . 52387 1 251 . 1 . 1 289 289 VAL H H 1 7.936 0.00 . 1 . . . . . 289 VAL H . 52387 1 252 . 1 . 1 289 289 VAL C C 13 176.022 0.00 . 1 . . . . . 289 VAL C . 52387 1 253 . 1 . 1 289 289 VAL CA C 13 62.436 0.02 . 1 . . . . . 289 VAL CA . 52387 1 254 . 1 . 1 289 289 VAL CB C 13 32.824 0.00 . 1 . . . . . 289 VAL CB . 52387 1 255 . 1 . 1 289 289 VAL N N 15 121.358 0.01 . 1 . . . . . 289 VAL N . 52387 1 256 . 1 . 1 290 290 LYS H H 1 8.330 0.00 . 1 . . . . . 290 LYS H . 52387 1 257 . 1 . 1 290 290 LYS C C 13 175.585 0.00 . 1 . . . . . 290 LYS C . 52387 1 258 . 1 . 1 290 290 LYS CA C 13 56.109 0.13 . 1 . . . . . 290 LYS CA . 52387 1 259 . 1 . 1 290 290 LYS CB C 13 32.942 0.01 . 1 . . . . . 290 LYS CB . 52387 1 260 . 1 . 1 290 290 LYS N N 15 126.502 0.01 . 1 . . . . . 290 LYS N . 52387 1 261 . 1 . 1 291 291 ARG H H 1 8.265 0.00 . 1 . . . . . 291 ARG H . 52387 1 262 . 1 . 1 291 291 ARG C C 13 176.085 0.00 . 1 . . . . . 291 ARG C . 52387 1 263 . 1 . 1 291 291 ARG CA C 13 55.855 0.03 . 1 . . . . . 291 ARG CA . 52387 1 264 . 1 . 1 291 291 ARG CB C 13 30.252 0.00 . 1 . . . . . 291 ARG CB . 52387 1 265 . 1 . 1 291 291 ARG N N 15 123.719 0.03 . 1 . . . . . 291 ARG N . 52387 1 266 . 1 . 1 292 292 LYS H H 1 8.357 0.00 . 1 . . . . . 292 LYS H . 52387 1 267 . 1 . 1 292 292 LYS C C 13 176.240 0.00 . 1 . . . . . 292 LYS C . 52387 1 268 . 1 . 1 292 292 LYS CA C 13 56.311 0.16 . 1 . . . . . 292 LYS CA . 52387 1 269 . 1 . 1 292 292 LYS N N 15 124.175 0.02 . 1 . . . . . 292 LYS N . 52387 1 270 . 1 . 1 293 293 LYS H H 1 8.330 0.00 . 1 . . . . . 293 LYS H . 52387 1 271 . 1 . 1 293 293 LYS CA C 13 54.271 0.06 . 1 . . . . . 293 LYS CA . 52387 1 272 . 1 . 1 293 293 LYS CB C 13 32.921 0.00 . 1 . . . . . 293 LYS CB . 52387 1 273 . 1 . 1 293 293 LYS N N 15 124.966 0.01 . 1 . . . . . 293 LYS N . 52387 1 274 . 1 . 1 294 294 PRO C C 13 176.740 0.00 . 1 . . . . . 294 PRO C . 52387 1 275 . 1 . 1 295 295 ARG H H 1 8.411 0.00 . 1 . . . . . 295 ARG H . 52387 1 276 . 1 . 1 295 295 ARG C C 13 176.811 0.00 . 1 . . . . . 295 ARG C . 52387 1 277 . 1 . 1 295 295 ARG CA C 13 56.410 0.07 . 1 . . . . . 295 ARG CA . 52387 1 278 . 1 . 1 295 295 ARG CB C 13 30.855 0.00 . 1 . . . . . 295 ARG CB . 52387 1 279 . 1 . 1 295 295 ARG N N 15 122.048 0.02 . 1 . . . . . 295 ARG N . 52387 1 280 . 1 . 1 296 296 GLY H H 1 8.326 0.01 . 1 . . . . . 296 GLY H . 52387 1 281 . 1 . 1 296 296 GLY C C 13 173.771 0.00 . 1 . . . . . 296 GLY C . 52387 1 282 . 1 . 1 296 296 GLY CA C 13 45.259 0.07 . 1 . . . . . 296 GLY CA . 52387 1 283 . 1 . 1 296 296 GLY N N 15 110.564 0.02 . 1 . . . . . 296 GLY N . 52387 1 284 . 1 . 1 297 297 LEU H H 1 8.024 0.00 . 1 . . . . . 297 LEU H . 52387 1 285 . 1 . 1 297 297 LEU C C 13 177.082 0.00 . 1 . . . . . 297 LEU C . 52387 1 286 . 1 . 1 297 297 LEU CA C 13 55.520 0.05 . 1 . . . . . 297 LEU CA . 52387 1 287 . 1 . 1 297 297 LEU CB C 13 42.361 0.00 . 1 . . . . . 297 LEU CB . 52387 1 288 . 1 . 1 297 297 LEU N N 15 122.209 0.02 . 1 . . . . . 297 LEU N . 52387 1 289 . 1 . 1 298 298 PHE H H 1 8.192 0.00 . 1 . . . . . 298 PHE H . 52387 1 290 . 1 . 1 298 298 PHE C C 13 174.949 0.00 . 1 . . . . . 298 PHE C . 52387 1 291 . 1 . 1 298 298 PHE CA C 13 57.392 0.08 . 1 . . . . . 298 PHE CA . 52387 1 292 . 1 . 1 298 298 PHE CB C 13 39.614 0.01 . 1 . . . . . 298 PHE CB . 52387 1 293 . 1 . 1 298 298 PHE N N 15 120.236 0.03 . 1 . . . . . 298 PHE N . 52387 1 294 . 1 . 1 299 299 SER H H 1 7.742 0.00 . 1 . . . . . 299 SER H . 52387 1 295 . 1 . 1 299 299 SER CA C 13 60.026 0.00 . 1 . . . . . 299 SER CA . 52387 1 296 . 1 . 1 299 299 SER CB C 13 64.972 0.00 . 1 . . . . . 299 SER CB . 52387 1 297 . 1 . 1 299 299 SER N N 15 122.503 0.01 . 1 . . . . . 299 SER N . 52387 1 stop_ save_