################################### # 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 53103 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Tau-5* G407A' _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' . . . 53103 1 2 '3D HNCO' . . . 53103 1 3 '3D HNCA' . . . 53103 1 4 '3D HN(CO)CACB' . . . 53103 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 . . 53103 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 1 1 ALA H H 1 8.688 0.001 . 1 . . . . . 330 ALA H . 53103 1 2 . 1 . 1 1 1 ALA C C 13 177.752 0.000 . 1 . . . . . 330 ALA C . 53103 1 3 . 1 . 1 1 1 ALA CA C 13 52.345 0.006 . 1 . . . . . 330 ALA CA . 53103 1 4 . 1 . 1 1 1 ALA CB C 13 19.095 0.000 . 1 . . . . . 330 ALA CB . 53103 1 5 . 1 . 1 1 1 ALA N N 15 125.196 0.006 . 1 . . . . . 330 ALA N . 53103 1 6 . 1 . 1 2 2 ALA H H 1 8.580 0.001 . 1 . . . . . 331 ALA H . 53103 1 7 . 1 . 1 2 2 ALA C C 13 178.492 0.000 . 1 . . . . . 331 ALA C . 53103 1 8 . 1 . 1 2 2 ALA CA C 13 52.722 0.020 . 1 . . . . . 331 ALA CA . 53103 1 9 . 1 . 1 2 2 ALA CB C 13 19.105 0.000 . 1 . . . . . 331 ALA CB . 53103 1 10 . 1 . 1 2 2 ALA N N 15 124.260 0.006 . 1 . . . . . 331 ALA N . 53103 1 11 . 1 . 1 3 3 GLY H H 1 8.566 0.002 . 1 . . . . . 332 GLY H . 53103 1 12 . 1 . 1 3 3 GLY C C 13 174.422 0.000 . 1 . . . . . 332 GLY C . 53103 1 13 . 1 . 1 3 3 GLY CA C 13 45.225 0.007 . 1 . . . . . 332 GLY CA . 53103 1 14 . 1 . 1 3 3 GLY N N 15 108.907 0.005 . 1 . . . . . 332 GLY N . 53103 1 15 . 1 . 1 4 4 SER H H 1 8.352 0.003 . 1 . . . . . 333 SER H . 53103 1 16 . 1 . 1 4 4 SER CA C 13 58.349 0.000 . 1 . . . . . 333 SER CA . 53103 1 17 . 1 . 1 4 4 SER N N 15 115.712 0.005 . 1 . . . . . 333 SER N . 53103 1 18 . 1 . 1 5 5 SER H H 1 8.631 0.003 . 1 . . . . . 334 SER H . 53103 1 19 . 1 . 1 5 5 SER C C 13 175.109 0.000 . 1 . . . . . 334 SER C . 53103 1 20 . 1 . 1 5 5 SER CA C 13 58.792 0.024 . 1 . . . . . 334 SER CA . 53103 1 21 . 1 . 1 5 5 SER CB C 13 63.813 0.000 . 1 . . . . . 334 SER CB . 53103 1 22 . 1 . 1 5 5 SER N N 15 117.981 0.008 . 1 . . . . . 334 SER N . 53103 1 23 . 1 . 1 6 6 GLY H H 1 8.548 0.003 . 1 . . . . . 335 GLY H . 53103 1 24 . 1 . 1 6 6 GLY C C 13 174.241 0.000 . 1 . . . . . 335 GLY C . 53103 1 25 . 1 . 1 6 6 GLY CA C 13 45.329 0.006 . 1 . . . . . 335 GLY CA . 53103 1 26 . 1 . 1 6 6 GLY N N 15 110.992 0.008 . 1 . . . . . 335 GLY N . 53103 1 27 . 1 . 1 7 7 THR H H 1 8.166 0.001 . 1 . . . . . 336 THR H . 53103 1 28 . 1 . 1 7 7 THR C C 13 174.443 0.000 . 1 . . . . . 336 THR C . 53103 1 29 . 1 . 1 7 7 THR CA C 13 61.831 0.006 . 1 . . . . . 336 THR CA . 53103 1 30 . 1 . 1 7 7 THR CB C 13 69.908 0.000 . 1 . . . . . 336 THR CB . 53103 1 31 . 1 . 1 7 7 THR N N 15 114.374 0.004 . 1 . . . . . 336 THR N . 53103 1 32 . 1 . 1 8 8 LEU H H 1 8.427 0.001 . 1 . . . . . 337 LEU H . 53103 1 33 . 1 . 1 8 8 LEU C C 13 177.083 0.000 . 1 . . . . . 337 LEU C . 53103 1 34 . 1 . 1 8 8 LEU CA C 13 55.159 0.016 . 1 . . . . . 337 LEU CA . 53103 1 35 . 1 . 1 8 8 LEU CB C 13 42.341 0.000 . 1 . . . . . 337 LEU CB . 53103 1 36 . 1 . 1 8 8 LEU N N 15 125.058 0.005 . 1 . . . . . 337 LEU N . 53103 1 37 . 1 . 1 9 9 GLU H H 1 8.471 0.001 . 1 . . . . . 338 GLU H . 53103 1 38 . 1 . 1 9 9 GLU C C 13 176.032 0.000 . 1 . . . . . 338 GLU C . 53103 1 39 . 1 . 1 9 9 GLU CA C 13 56.092 0.014 . 1 . . . . . 338 GLU CA . 53103 1 40 . 1 . 1 9 9 GLU CB C 13 30.341 0.000 . 1 . . . . . 338 GLU CB . 53103 1 41 . 1 . 1 9 9 GLU N N 15 122.646 0.008 . 1 . . . . . 338 GLU N . 53103 1 42 . 1 . 1 10 10 LEU H H 1 8.491 0.001 . 1 . . . . . 339 LEU H . 53103 1 43 . 1 . 1 10 10 LEU CA C 13 52.996 0.000 . 1 . . . . . 339 LEU CA . 53103 1 44 . 1 . 1 10 10 LEU N N 15 125.443 0.005 . 1 . . . . . 339 LEU N . 53103 1 45 . 1 . 1 11 11 PRO C C 13 177.112 0.000 . 1 . . . . . 340 PRO C . 53103 1 46 . 1 . 1 11 11 PRO CA C 13 63.183 0.020 . 1 . . . . . 340 PRO CA . 53103 1 47 . 1 . 1 11 11 PRO CB C 13 32.041 0.000 . 1 . . . . . 340 PRO CB . 53103 1 48 . 1 . 1 12 12 SER H H 1 8.579 0.001 . 1 . . . . . 341 SER H . 53103 1 49 . 1 . 1 12 12 SER C C 13 175.387 0.000 . 1 . . . . . 341 SER C . 53103 1 50 . 1 . 1 12 12 SER CA C 13 58.391 0.022 . 1 . . . . . 341 SER CA . 53103 1 51 . 1 . 1 12 12 SER CB C 13 63.624 0.000 . 1 . . . . . 341 SER CB . 53103 1 52 . 1 . 1 12 12 SER N N 15 116.095 0.004 . 1 . . . . . 341 SER N . 53103 1 53 . 1 . 1 13 13 THR H H 1 8.323 0.001 . 1 . . . . . 342 THR H . 53103 1 54 . 1 . 1 13 13 THR C C 13 174.825 0.000 . 1 . . . . . 342 THR C . 53103 1 55 . 1 . 1 13 13 THR CA C 13 62.394 0.020 . 1 . . . . . 342 THR CA . 53103 1 56 . 1 . 1 13 13 THR CB C 13 69.524 0.000 . 1 . . . . . 342 THR CB . 53103 1 57 . 1 . 1 13 13 THR N N 15 116.436 0.011 . 1 . . . . . 342 THR N . 53103 1 58 . 1 . 1 14 14 LEU H H 1 8.222 0.001 . 1 . . . . . 343 LEU H . 53103 1 59 . 1 . 1 14 14 LEU C C 13 177.620 0.000 . 1 . . . . . 343 LEU C . 53103 1 60 . 1 . 1 14 14 LEU CA C 13 55.637 0.031 . 1 . . . . . 343 LEU CA . 53103 1 61 . 1 . 1 14 14 LEU CB C 13 42.270 0.000 . 1 . . . . . 343 LEU CB . 53103 1 62 . 1 . 1 14 14 LEU N N 15 123.916 0.004 . 1 . . . . . 343 LEU N . 53103 1 63 . 1 . 1 15 15 SER H H 1 8.349 0.001 . 1 . . . . . 344 SER H . 53103 1 64 . 1 . 1 15 15 SER C C 13 174.688 0.000 . 1 . . . . . 344 SER C . 53103 1 65 . 1 . 1 15 15 SER CA C 13 58.570 0.049 . 1 . . . . . 344 SER CA . 53103 1 66 . 1 . 1 15 15 SER CB C 13 63.523 0.000 . 1 . . . . . 344 SER CB . 53103 1 67 . 1 . 1 15 15 SER N N 15 116.642 0.005 . 1 . . . . . 344 SER N . 53103 1 68 . 1 . 1 16 16 LEU H H 1 8.240 0.000 . 1 . . . . . 345 LEU H . 53103 1 69 . 1 . 1 16 16 LEU C C 13 177.211 0.000 . 1 . . . . . 345 LEU C . 53103 1 70 . 1 . 1 16 16 LEU CA C 13 55.442 0.013 . 1 . . . . . 345 LEU CA . 53103 1 71 . 1 . 1 16 16 LEU CB C 13 42.230 0.000 . 1 . . . . . 345 LEU CB . 53103 1 72 . 1 . 1 16 16 LEU N N 15 124.064 0.008 . 1 . . . . . 345 LEU N . 53103 1 73 . 1 . 1 17 17 TYR H H 1 8.175 0.001 . 1 . . . . . 346 TYR H . 53103 1 74 . 1 . 1 17 17 TYR C C 13 175.783 0.000 . 1 . . . . . 346 TYR C . 53103 1 75 . 1 . 1 17 17 TYR CA C 13 58.118 0.069 . 1 . . . . . 346 TYR CA . 53103 1 76 . 1 . 1 17 17 TYR CB C 13 38.679 0.000 . 1 . . . . . 346 TYR CB . 53103 1 77 . 1 . 1 17 17 TYR N N 15 120.512 0.006 . 1 . . . . . 346 TYR N . 53103 1 78 . 1 . 1 18 18 LYS H H 1 8.237 0.002 . 1 . . . . . 347 LYS H . 53103 1 79 . 1 . 1 18 18 LYS C C 13 176.180 0.000 . 1 . . . . . 347 LYS C . 53103 1 80 . 1 . 1 18 18 LYS CA C 13 55.994 0.061 . 1 . . . . . 347 LYS CA . 53103 1 81 . 1 . 1 18 18 LYS CB C 13 33.251 0.000 . 1 . . . . . 347 LYS CB . 53103 1 82 . 1 . 1 18 18 LYS N N 15 124.006 0.007 . 1 . . . . . 347 LYS N . 53103 1 83 . 1 . 1 19 19 SER H H 1 8.448 0.001 . 1 . . . . . 348 SER H . 53103 1 84 . 1 . 1 19 19 SER C C 13 175.218 0.000 . 1 . . . . . 348 SER C . 53103 1 85 . 1 . 1 19 19 SER CA C 13 58.636 0.012 . 1 . . . . . 348 SER CA . 53103 1 86 . 1 . 1 19 19 SER CB C 13 63.771 0.000 . 1 . . . . . 348 SER CB . 53103 1 87 . 1 . 1 19 19 SER N N 15 117.436 0.008 . 1 . . . . . 348 SER N . 53103 1 88 . 1 . 1 20 20 GLY H H 1 8.569 0.004 . 1 . . . . . 349 GLY H . 53103 1 89 . 1 . 1 20 20 GLY C C 13 173.991 0.000 . 1 . . . . . 349 GLY C . 53103 1 90 . 1 . 1 20 20 GLY CA C 13 45.291 0.015 . 1 . . . . . 349 GLY CA . 53103 1 91 . 1 . 1 20 20 GLY N N 15 111.470 0.007 . 1 . . . . . 349 GLY N . 53103 1 92 . 1 . 1 21 21 ALA H H 1 8.202 0.008 . 1 . . . . . 350 ALA H . 53103 1 93 . 1 . 1 21 21 ALA C C 13 178.085 0.000 . 1 . . . . . 350 ALA C . 53103 1 94 . 1 . 1 21 21 ALA CA C 13 52.631 0.073 . 1 . . . . . 350 ALA CA . 53103 1 95 . 1 . 1 21 21 ALA CB C 13 19.349 0.000 . 1 . . . . . 350 ALA CB . 53103 1 96 . 1 . 1 21 21 ALA N N 15 123.758 0.025 . 1 . . . . . 350 ALA N . 53103 1 97 . 1 . 1 22 22 LEU H H 1 8.391 0.001 . 1 . . . . . 351 LEU H . 53103 1 98 . 1 . 1 22 22 LEU C C 13 177.402 0.000 . 1 . . . . . 351 LEU C . 53103 1 99 . 1 . 1 22 22 LEU CA C 13 55.393 0.007 . 1 . . . . . 351 LEU CA . 53103 1 100 . 1 . 1 22 22 LEU CB C 13 42.266 0.000 . 1 . . . . . 351 LEU CB . 53103 1 101 . 1 . 1 22 22 LEU N N 15 121.143 0.005 . 1 . . . . . 351 LEU N . 53103 1 102 . 1 . 1 23 23 ASP H H 1 8.316 0.001 . 1 . . . . . 352 ASP H . 53103 1 103 . 1 . 1 23 23 ASP C C 13 176.692 0.000 . 1 . . . . . 352 ASP C . 53103 1 104 . 1 . 1 23 23 ASP CA C 13 54.273 0.015 . 1 . . . . . 352 ASP CA . 53103 1 105 . 1 . 1 23 23 ASP CB C 13 40.977 0.000 . 1 . . . . . 352 ASP CB . 53103 1 106 . 1 . 1 23 23 ASP N N 15 121.073 0.006 . 1 . . . . . 352 ASP N . 53103 1 107 . 1 . 1 24 24 GLU H H 1 8.461 0.001 . 1 . . . . . 353 GLU H . 53103 1 108 . 1 . 1 24 24 GLU C C 13 176.975 0.000 . 1 . . . . . 353 GLU C . 53103 1 109 . 1 . 1 24 24 GLU CA C 13 57.502 0.012 . 1 . . . . . 353 GLU CA . 53103 1 110 . 1 . 1 24 24 GLU CB C 13 30.052 0.000 . 1 . . . . . 353 GLU CB . 53103 1 111 . 1 . 1 24 24 GLU N N 15 122.276 0.005 . 1 . . . . . 353 GLU N . 53103 1 112 . 1 . 1 25 25 ALA H H 1 8.329 0.001 . 1 . . . . . 354 ALA H . 53103 1 113 . 1 . 1 25 25 ALA C C 13 178.405 0.000 . 1 . . . . . 354 ALA C . 53103 1 114 . 1 . 1 25 25 ALA CA C 13 53.250 0.006 . 1 . . . . . 354 ALA CA . 53103 1 115 . 1 . 1 25 25 ALA CB C 13 18.728 0.000 . 1 . . . . . 354 ALA CB . 53103 1 116 . 1 . 1 25 25 ALA N N 15 123.619 0.009 . 1 . . . . . 354 ALA N . 53103 1 117 . 1 . 1 26 26 ALA H H 1 8.091 0.001 . 1 . . . . . 355 ALA H . 53103 1 118 . 1 . 1 26 26 ALA C C 13 178.268 0.000 . 1 . . . . . 355 ALA C . 53103 1 119 . 1 . 1 26 26 ALA CA C 13 53.050 0.029 . 1 . . . . . 355 ALA CA . 53103 1 120 . 1 . 1 26 26 ALA CB C 13 18.864 0.000 . 1 . . . . . 355 ALA CB . 53103 1 121 . 1 . 1 26 26 ALA N N 15 122.161 0.005 . 1 . . . . . 355 ALA N . 53103 1 122 . 1 . 1 27 27 ALA H H 1 8.128 0.001 . 1 . . . . . 356 ALA H . 53103 1 123 . 1 . 1 27 27 ALA C C 13 178.092 0.000 . 1 . . . . . 356 ALA C . 53103 1 124 . 1 . 1 27 27 ALA CA C 13 53.035 0.011 . 1 . . . . . 356 ALA CA . 53103 1 125 . 1 . 1 27 27 ALA CB C 13 18.857 0.000 . 1 . . . . . 356 ALA CB . 53103 1 126 . 1 . 1 27 27 ALA N N 15 122.143 0.005 . 1 . . . . . 356 ALA N . 53103 1 127 . 1 . 1 28 28 TYR H H 1 8.047 0.001 . 1 . . . . . 357 TYR H . 53103 1 128 . 1 . 1 28 28 TYR C C 13 176.111 0.000 . 1 . . . . . 357 TYR C . 53103 1 129 . 1 . 1 28 28 TYR CA C 13 58.421 0.011 . 1 . . . . . 357 TYR CA . 53103 1 130 . 1 . 1 28 28 TYR CB C 13 38.387 0.000 . 1 . . . . . 357 TYR CB . 53103 1 131 . 1 . 1 28 28 TYR N N 15 118.757 0.008 . 1 . . . . . 357 TYR N . 53103 1 132 . 1 . 1 29 29 GLN H H 1 8.102 0.001 . 1 . . . . . 358 GLN H . 53103 1 133 . 1 . 1 29 29 GLN C C 13 175.777 0.000 . 1 . . . . . 358 GLN C . 53103 1 134 . 1 . 1 29 29 GLN CA C 13 55.760 0.028 . 1 . . . . . 358 GLN CA . 53103 1 135 . 1 . 1 29 29 GLN CB C 13 29.485 0.000 . 1 . . . . . 358 GLN CB . 53103 1 136 . 1 . 1 29 29 GLN N N 15 121.407 0.010 . 1 . . . . . 358 GLN N . 53103 1 137 . 1 . 1 30 30 SER H H 1 8.301 0.001 . 1 . . . . . 359 SER H . 53103 1 138 . 1 . 1 30 30 SER C C 13 174.865 0.000 . 1 . . . . . 359 SER C . 53103 1 139 . 1 . 1 30 30 SER CA C 13 58.629 0.021 . 1 . . . . . 359 SER CA . 53103 1 140 . 1 . 1 30 30 SER CB C 13 63.688 0.000 . 1 . . . . . 359 SER CB . 53103 1 141 . 1 . 1 30 30 SER N N 15 116.656 0.006 . 1 . . . . . 359 SER N . 53103 1 142 . 1 . 1 31 31 ARG H H 1 8.359 0.001 . 1 . . . . . 360 ARG H . 53103 1 143 . 1 . 1 31 31 ARG C C 13 175.949 0.000 . 1 . . . . . 360 ARG C . 53103 1 144 . 1 . 1 31 31 ARG CA C 13 56.413 0.033 . 1 . . . . . 360 ARG CA . 53103 1 145 . 1 . 1 31 31 ARG CB C 13 30.638 0.000 . 1 . . . . . 360 ARG CB . 53103 1 146 . 1 . 1 31 31 ARG N N 15 122.739 0.010 . 1 . . . . . 360 ARG N . 53103 1 147 . 1 . 1 32 32 ASP H H 1 8.335 0.002 . 1 . . . . . 361 ASP H . 53103 1 148 . 1 . 1 32 32 ASP C C 13 176.108 0.000 . 1 . . . . . 361 ASP C . 53103 1 149 . 1 . 1 32 32 ASP CA C 13 54.364 0.050 . 1 . . . . . 361 ASP CA . 53103 1 150 . 1 . 1 32 32 ASP CB C 13 40.886 0.000 . 1 . . . . . 361 ASP CB . 53103 1 151 . 1 . 1 32 32 ASP N N 15 120.569 0.014 . 1 . . . . . 361 ASP N . 53103 1 152 . 1 . 1 33 33 TYR H H 1 8.012 0.004 . 1 . . . . . 362 TYR H . 53103 1 153 . 1 . 1 33 33 TYR C C 13 175.655 0.000 . 1 . . . . . 362 TYR C . 53103 1 154 . 1 . 1 33 33 TYR CA C 13 58.681 0.020 . 1 . . . . . 362 TYR CA . 53103 1 155 . 1 . 1 33 33 TYR CB C 13 38.675 0.000 . 1 . . . . . 362 TYR CB . 53103 1 156 . 1 . 1 33 33 TYR N N 15 120.275 0.011 . 1 . . . . . 362 TYR N . 53103 1 157 . 1 . 1 34 34 TYR H H 1 8.003 0.001 . 1 . . . . . 363 TYR H . 53103 1 158 . 1 . 1 34 34 TYR C C 13 175.348 0.000 . 1 . . . . . 363 TYR C . 53103 1 159 . 1 . 1 34 34 TYR CA C 13 58.403 0.028 . 1 . . . . . 363 TYR CA . 53103 1 160 . 1 . 1 34 34 TYR CB C 13 38.681 0.000 . 1 . . . . . 363 TYR CB . 53103 1 161 . 1 . 1 34 34 TYR N N 15 119.980 0.007 . 1 . . . . . 363 TYR N . 53103 1 162 . 1 . 1 35 35 ASN H H 1 8.019 0.005 . 1 . . . . . 364 ASN H . 53103 1 163 . 1 . 1 35 35 ASN C C 13 174.148 0.000 . 1 . . . . . 364 ASN C . 53103 1 164 . 1 . 1 35 35 ASN CA C 13 53.050 0.018 . 1 . . . . . 364 ASN CA . 53103 1 165 . 1 . 1 35 35 ASN CB C 13 38.965 0.000 . 1 . . . . . 364 ASN CB . 53103 1 166 . 1 . 1 35 35 ASN N N 15 119.342 0.004 . 1 . . . . . 364 ASN N . 53103 1 167 . 1 . 1 36 36 PHE H H 1 8.048 0.001 . 1 . . . . . 365 PHE H . 53103 1 168 . 1 . 1 36 36 PHE CA C 13 55.956 0.000 . 1 . . . . . 365 PHE CA . 53103 1 169 . 1 . 1 36 36 PHE N N 15 121.291 0.003 . 1 . . . . . 365 PHE N . 53103 1 170 . 1 . 1 37 37 PRO C C 13 176.983 0.000 . 1 . . . . . 366 PRO C . 53103 1 171 . 1 . 1 37 37 PRO CA C 13 63.294 0.001 . 1 . . . . . 366 PRO CA . 53103 1 172 . 1 . 1 37 37 PRO CB C 13 31.960 0.000 . 1 . . . . . 366 PRO CB . 53103 1 173 . 1 . 1 38 38 LEU H H 1 8.350 0.001 . 1 . . . . . 367 LEU H . 53103 1 174 . 1 . 1 38 38 LEU C C 13 177.382 0.000 . 1 . . . . . 367 LEU C . 53103 1 175 . 1 . 1 38 38 LEU CA C 13 55.168 0.042 . 1 . . . . . 367 LEU CA . 53103 1 176 . 1 . 1 38 38 LEU CB C 13 42.347 0.000 . 1 . . . . . 367 LEU CB . 53103 1 177 . 1 . 1 38 38 LEU N N 15 122.267 0.007 . 1 . . . . . 367 LEU N . 53103 1 178 . 1 . 1 39 39 ALA H H 1 8.358 0.001 . 1 . . . . . 368 ALA H . 53103 1 179 . 1 . 1 39 39 ALA C C 13 177.624 0.000 . 1 . . . . . 368 ALA C . 53103 1 180 . 1 . 1 39 39 ALA CA C 13 52.433 0.020 . 1 . . . . . 368 ALA CA . 53103 1 181 . 1 . 1 39 39 ALA CB C 13 19.095 0.000 . 1 . . . . . 368 ALA CB . 53103 1 182 . 1 . 1 39 39 ALA N N 15 124.882 0.016 . 1 . . . . . 368 ALA N . 53103 1 183 . 1 . 1 40 40 LEU H H 1 8.257 0.001 . 1 . . . . . 369 LEU H . 53103 1 184 . 1 . 1 40 40 LEU C C 13 177.128 0.000 . 1 . . . . . 369 LEU C . 53103 1 185 . 1 . 1 40 40 LEU CA C 13 54.925 0.021 . 1 . . . . . 369 LEU CA . 53103 1 186 . 1 . 1 40 40 LEU CB C 13 42.365 0.000 . 1 . . . . . 369 LEU CB . 53103 1 187 . 1 . 1 40 40 LEU N N 15 121.587 0.008 . 1 . . . . . 369 LEU N . 53103 1 188 . 1 . 1 41 41 ALA H H 1 8.359 0.000 . 1 . . . . . 370 ALA H . 53103 1 189 . 1 . 1 41 41 ALA C C 13 177.737 0.000 . 1 . . . . . 370 ALA C . 53103 1 190 . 1 . 1 41 41 ALA CA C 13 52.399 0.019 . 1 . . . . . 370 ALA CA . 53103 1 191 . 1 . 1 41 41 ALA CB C 13 19.442 0.000 . 1 . . . . . 370 ALA CB . 53103 1 192 . 1 . 1 41 41 ALA N N 15 124.967 0.014 . 1 . . . . . 370 ALA N . 53103 1 193 . 1 . 1 42 42 GLY H H 1 8.209 0.002 . 1 . . . . . 371 GLY H . 53103 1 194 . 1 . 1 42 42 GLY CA C 13 44.349 0.000 . 1 . . . . . 371 GLY CA . 53103 1 195 . 1 . 1 42 42 GLY N N 15 108.512 0.007 . 1 . . . . . 371 GLY N . 53103 1 196 . 1 . 1 50 50 PRO CA C 13 62.699 0.031 . 1 . . . . . 379 PRO CA . 53103 1 197 . 1 . 1 50 50 PRO CB C 13 31.905 0.000 . 1 . . . . . 379 PRO CB . 53103 1 198 . 1 . 1 51 51 HIS H H 1 8.422 0.001 . 1 . . . . . 380 HIS H . 53103 1 199 . 1 . 1 51 51 HIS CA C 13 54.471 0.000 . 1 . . . . . 380 HIS CA . 53103 1 200 . 1 . 1 51 51 HIS N N 15 121.311 0.012 . 1 . . . . . 380 HIS N . 53103 1 201 . 1 . 1 52 52 PRO C C 13 176.941 0.000 . 1 . . . . . 381 PRO C . 53103 1 202 . 1 . 1 52 52 PRO CA C 13 63.586 0.088 . 1 . . . . . 381 PRO CA . 53103 1 203 . 1 . 1 53 53 HIS H H 1 8.858 0.004 . 1 . . . . . 382 HIS H . 53103 1 204 . 1 . 1 53 53 HIS C C 13 175.427 0.000 . 1 . . . . . 382 HIS C . 53103 1 205 . 1 . 1 53 53 HIS CA C 13 56.034 0.086 . 1 . . . . . 382 HIS CA . 53103 1 206 . 1 . 1 53 53 HIS CB C 13 30.653 0.000 . 1 . . . . . 382 HIS CB . 53103 1 207 . 1 . 1 53 53 HIS N N 15 119.744 0.009 . 1 . . . . . 382 HIS N . 53103 1 208 . 1 . 1 54 54 ALA H H 1 8.283 0.003 . 1 . . . . . 383 ALA H . 53103 1 209 . 1 . 1 54 54 ALA C C 13 177.612 0.000 . 1 . . . . . 383 ALA C . 53103 1 210 . 1 . 1 54 54 ALA CA C 13 52.682 0.060 . 1 . . . . . 383 ALA CA . 53103 1 211 . 1 . 1 54 54 ALA CB C 13 19.308 0.000 . 1 . . . . . 383 ALA CB . 53103 1 212 . 1 . 1 54 54 ALA N N 15 124.883 0.005 . 1 . . . . . 383 ALA N . 53103 1 213 . 1 . 1 55 55 ARG H H 1 8.509 0.004 . 1 . . . . . 384 ARG H . 53103 1 214 . 1 . 1 55 55 ARG C C 13 176.337 0.000 . 1 . . . . . 384 ARG C . 53103 1 215 . 1 . 1 55 55 ARG CA C 13 56.144 0.020 . 1 . . . . . 384 ARG CA . 53103 1 216 . 1 . 1 55 55 ARG CB C 13 30.642 0.000 . 1 . . . . . 384 ARG CB . 53103 1 217 . 1 . 1 55 55 ARG N N 15 120.780 0.007 . 1 . . . . . 384 ARG N . 53103 1 218 . 1 . 1 56 56 ILE H H 1 8.255 0.003 . 1 . . . . . 385 ILE H . 53103 1 219 . 1 . 1 56 56 ILE C C 13 175.954 0.000 . 1 . . . . . 385 ILE C . 53103 1 220 . 1 . 1 56 56 ILE CA C 13 61.098 0.045 . 1 . . . . . 385 ILE CA . 53103 1 221 . 1 . 1 56 56 ILE CB C 13 38.700 0.000 . 1 . . . . . 385 ILE CB . 53103 1 222 . 1 . 1 56 56 ILE N N 15 122.578 0.006 . 1 . . . . . 385 ILE N . 53103 1 223 . 1 . 1 57 57 LYS H H 1 8.486 0.004 . 1 . . . . . 386 LYS H . 53103 1 224 . 1 . 1 57 57 LYS CA C 13 56.163 0.028 . 1 . . . . . 386 LYS CA . 53103 1 225 . 1 . 1 57 57 LYS CB C 13 32.917 0.000 . 1 . . . . . 386 LYS CB . 53103 1 226 . 1 . 1 57 57 LYS N N 15 126.247 0.010 . 1 . . . . . 386 LYS N . 53103 1 227 . 1 . 1 58 58 LEU H H 1 8.419 0.001 . 1 . . . . . 387 LEU H . 53103 1 228 . 1 . 1 58 58 LEU C C 13 177.163 0.000 . 1 . . . . . 387 LEU C . 53103 1 229 . 1 . 1 58 58 LEU CA C 13 54.840 0.018 . 1 . . . . . 387 LEU CA . 53103 1 230 . 1 . 1 58 58 LEU CB C 13 42.264 0.000 . 1 . . . . . 387 LEU CB . 53103 1 231 . 1 . 1 58 58 LEU N N 15 125.080 0.006 . 1 . . . . . 387 LEU N . 53103 1 232 . 1 . 1 59 59 GLU H H 1 8.552 0.002 . 1 . . . . . 388 GLU H . 53103 1 233 . 1 . 1 59 59 GLU C C 13 175.833 0.000 . 1 . . . . . 388 GLU C . 53103 1 234 . 1 . 1 59 59 GLU CA C 13 56.492 0.031 . 1 . . . . . 388 GLU CA . 53103 1 235 . 1 . 1 59 59 GLU CB C 13 30.315 0.000 . 1 . . . . . 388 GLU CB . 53103 1 236 . 1 . 1 59 59 GLU N N 15 122.088 0.009 . 1 . . . . . 388 GLU N . 53103 1 237 . 1 . 1 60 60 ASN H H 1 8.608 0.003 . 1 . . . . . 389 ASN H . 53103 1 238 . 1 . 1 60 60 ASN CA C 13 50.927 0.000 . 1 . . . . . 389 ASN CA . 53103 1 239 . 1 . 1 60 60 ASN N N 15 120.399 0.011 . 1 . . . . . 389 ASN N . 53103 1 240 . 1 . 1 61 61 PRO C C 13 177.262 0.000 . 1 . . . . . 390 PRO C . 53103 1 241 . 1 . 1 61 61 PRO CA C 13 63.649 0.024 . 1 . . . . . 390 PRO CA . 53103 1 242 . 1 . 1 61 61 PRO CB C 13 32.119 0.000 . 1 . . . . . 390 PRO CB . 53103 1 243 . 1 . 1 62 62 LEU H H 1 8.216 0.001 . 1 . . . . . 391 LEU H . 53103 1 244 . 1 . 1 62 62 LEU C C 13 177.280 0.000 . 1 . . . . . 391 LEU C . 53103 1 245 . 1 . 1 62 62 LEU CA C 13 55.409 0.015 . 1 . . . . . 391 LEU CA . 53103 1 246 . 1 . 1 62 62 LEU CB C 13 41.606 0.000 . 1 . . . . . 391 LEU CB . 53103 1 247 . 1 . 1 62 62 LEU N N 15 119.855 0.012 . 1 . . . . . 391 LEU N . 53103 1 248 . 1 . 1 63 63 ASP H H 1 8.024 0.003 . 1 . . . . . 392 ASP H . 53103 1 249 . 1 . 1 63 63 ASP C C 13 176.209 0.000 . 1 . . . . . 392 ASP C . 53103 1 250 . 1 . 1 63 63 ASP CA C 13 54.057 0.014 . 1 . . . . . 392 ASP CA . 53103 1 251 . 1 . 1 63 63 ASP CB C 13 40.987 0.000 . 1 . . . . . 392 ASP CB . 53103 1 252 . 1 . 1 63 63 ASP N N 15 119.885 0.009 . 1 . . . . . 392 ASP N . 53103 1 253 . 1 . 1 64 64 TYR H H 1 8.081 0.002 . 1 . . . . . 393 TYR H . 53103 1 254 . 1 . 1 64 64 TYR C C 13 176.805 0.000 . 1 . . . . . 393 TYR C . 53103 1 255 . 1 . 1 64 64 TYR CA C 13 58.871 0.081 . 1 . . . . . 393 TYR CA . 53103 1 256 . 1 . 1 64 64 TYR CB C 13 38.414 0.000 . 1 . . . . . 393 TYR CB . 53103 1 257 . 1 . 1 64 64 TYR N N 15 121.105 0.008 . 1 . . . . . 393 TYR N . 53103 1 258 . 1 . 1 65 65 GLY H H 1 8.460 0.002 . 1 . . . . . 394 GLY H . 53103 1 259 . 1 . 1 65 65 GLY C C 13 174.974 0.000 . 1 . . . . . 394 GLY C . 53103 1 260 . 1 . 1 65 65 GLY CA C 13 45.681 0.041 . 1 . . . . . 394 GLY CA . 53103 1 261 . 1 . 1 65 65 GLY N N 15 109.571 0.007 . 1 . . . . . 394 GLY N . 53103 1 262 . 1 . 1 66 66 SER H H 1 8.225 0.004 . 1 . . . . . 395 SER H . 53103 1 263 . 1 . 1 66 66 SER C C 13 175.579 0.000 . 1 . . . . . 395 SER C . 53103 1 264 . 1 . 1 66 66 SER CA C 13 59.436 0.051 . 1 . . . . . 395 SER CA . 53103 1 265 . 1 . 1 66 66 SER CB C 13 63.678 0.000 . 1 . . . . . 395 SER CB . 53103 1 266 . 1 . 1 66 66 SER N N 15 116.119 0.013 . 1 . . . . . 395 SER N . 53103 1 267 . 1 . 1 67 67 ALA H H 1 8.550 0.005 . 1 . . . . . 396 ALA H . 53103 1 268 . 1 . 1 67 67 ALA C C 13 179.195 0.000 . 1 . . . . . 396 ALA C . 53103 1 269 . 1 . 1 67 67 ALA CA C 13 54.015 0.027 . 1 . . . . . 396 ALA CA . 53103 1 270 . 1 . 1 67 67 ALA CB C 13 18.357 0.000 . 1 . . . . . 396 ALA CB . 53103 1 271 . 1 . 1 67 67 ALA N N 15 125.897 0.010 . 1 . . . . . 396 ALA N . 53103 1 272 . 1 . 1 68 68 TRP H H 1 8.197 0.003 . 1 . . . . . 397 TRP H . 53103 1 273 . 1 . 1 68 68 TRP C C 13 177.314 0.000 . 1 . . . . . 397 TRP C . 53103 1 274 . 1 . 1 68 68 TRP CA C 13 58.951 0.052 . 1 . . . . . 397 TRP CA . 53103 1 275 . 1 . 1 68 68 TRP CB C 13 28.946 0.000 . 1 . . . . . 397 TRP CB . 53103 1 276 . 1 . 1 68 68 TRP N N 15 119.983 0.008 . 1 . . . . . 397 TRP N . 53103 1 277 . 1 . 1 69 69 ALA H H 1 7.953 0.003 . 1 . . . . . 398 ALA H . 53103 1 278 . 1 . 1 69 69 ALA C C 13 178.986 0.000 . 1 . . . . . 398 ALA C . 53103 1 279 . 1 . 1 69 69 ALA CA C 13 53.895 0.043 . 1 . . . . . 398 ALA CA . 53103 1 280 . 1 . 1 69 69 ALA CB C 13 18.587 0.000 . 1 . . . . . 398 ALA CB . 53103 1 281 . 1 . 1 69 69 ALA N N 15 123.729 0.014 . 1 . . . . . 398 ALA N . 53103 1 282 . 1 . 1 70 70 ALA H H 1 8.008 0.005 . 1 . . . . . 399 ALA H . 53103 1 283 . 1 . 1 70 70 ALA C C 13 179.036 0.000 . 1 . . . . . 399 ALA C . 53103 1 284 . 1 . 1 70 70 ALA CA C 13 53.803 0.033 . 1 . . . . . 399 ALA CA . 53103 1 285 . 1 . 1 70 70 ALA CB C 13 18.442 0.000 . 1 . . . . . 399 ALA CB . 53103 1 286 . 1 . 1 70 70 ALA N N 15 121.915 0.007 . 1 . . . . . 399 ALA N . 53103 1 287 . 1 . 1 71 71 ALA H H 1 7.971 0.001 . 1 . . . . . 400 ALA H . 53103 1 288 . 1 . 1 71 71 ALA C C 13 179.118 0.000 . 1 . . . . . 400 ALA C . 53103 1 289 . 1 . 1 71 71 ALA CA C 13 53.707 0.024 . 1 . . . . . 400 ALA CA . 53103 1 290 . 1 . 1 71 71 ALA CB C 13 18.493 0.000 . 1 . . . . . 400 ALA CB . 53103 1 291 . 1 . 1 71 71 ALA N N 15 121.916 0.007 . 1 . . . . . 400 ALA N . 53103 1 292 . 1 . 1 72 72 ALA H H 1 8.121 0.001 . 1 . . . . . 401 ALA H . 53103 1 293 . 1 . 1 72 72 ALA C C 13 178.949 0.000 . 1 . . . . . 401 ALA C . 53103 1 294 . 1 . 1 72 72 ALA CA C 13 53.664 0.014 . 1 . . . . . 401 ALA CA . 53103 1 295 . 1 . 1 72 72 ALA CB C 13 18.277 0.000 . 1 . . . . . 401 ALA CB . 53103 1 296 . 1 . 1 72 72 ALA N N 15 121.977 0.009 . 1 . . . . . 401 ALA N . 53103 1 297 . 1 . 1 73 73 ALA H H 1 7.957 0.001 . 1 . . . . . 402 ALA H . 53103 1 298 . 1 . 1 73 73 ALA C C 13 178.631 0.000 . 1 . . . . . 402 ALA C . 53103 1 299 . 1 . 1 73 73 ALA CA C 13 53.535 0.015 . 1 . . . . . 402 ALA CA . 53103 1 300 . 1 . 1 73 73 ALA CB C 13 18.617 0.000 . 1 . . . . . 402 ALA CB . 53103 1 301 . 1 . 1 73 73 ALA N N 15 121.219 0.009 . 1 . . . . . 402 ALA N . 53103 1 302 . 1 . 1 74 74 GLN H H 1 8.011 0.001 . 1 . . . . . 403 GLN H . 53103 1 303 . 1 . 1 74 74 GLN C C 13 176.646 0.000 . 1 . . . . . 403 GLN C . 53103 1 304 . 1 . 1 74 74 GLN CA C 13 56.640 0.010 . 1 . . . . . 403 GLN CA . 53103 1 305 . 1 . 1 74 74 GLN CB C 13 28.837 0.000 . 1 . . . . . 403 GLN CB . 53103 1 306 . 1 . 1 74 74 GLN N N 15 117.753 0.010 . 1 . . . . . 403 GLN N . 53103 1 307 . 1 . 1 75 75 CYS H H 1 8.121 0.004 . 1 . . . . . 404 CYS H . 53103 1 308 . 1 . 1 75 75 CYS C C 13 175.002 0.000 . 1 . . . . . 404 CYS C . 53103 1 309 . 1 . 1 75 75 CYS CA C 13 59.704 0.050 . 1 . . . . . 404 CYS CA . 53103 1 310 . 1 . 1 75 75 CYS N N 15 119.367 0.010 . 1 . . . . . 404 CYS N . 53103 1 311 . 1 . 1 76 76 ARG H H 1 8.242 0.004 . 1 . . . . . 405 ARG H . 53103 1 312 . 1 . 1 76 76 ARG C C 13 176.613 0.000 . 1 . . . . . 405 ARG C . 53103 1 313 . 1 . 1 76 76 ARG CA C 13 56.845 0.000 . 1 . . . . . 405 ARG CA . 53103 1 314 . 1 . 1 76 76 ARG CB C 13 30.469 0.000 . 1 . . . . . 405 ARG CB . 53103 1 315 . 1 . 1 76 76 ARG N N 15 122.518 0.016 . 1 . . . . . 405 ARG N . 53103 1 316 . 1 . 1 77 77 TYR H H 1 8.235 0.001 . 1 . . . . . 406 TYR H . 53103 1 317 . 1 . 1 77 77 TYR C C 13 176.301 0.000 . 1 . . . . . 406 TYR C . 53103 1 318 . 1 . 1 77 77 TYR CA C 13 58.654 0.000 . 1 . . . . . 406 TYR CA . 53103 1 319 . 1 . 1 77 77 TYR N N 15 120.580 0.012 . 1 . . . . . 406 TYR N . 53103 1 320 . 1 . 1 78 78 ALA H H 1 8.246 0.001 . 1 . . . . . 407 ALA H . 53103 1 321 . 1 . 1 78 78 ALA C C 13 177.872 0.000 . 1 . . . . . 407 ALA C . 53103 1 322 . 1 . 1 78 78 ALA CA C 13 53.256 0.025 . 1 . . . . . 407 ALA CA . 53103 1 323 . 1 . 1 78 78 ALA CB C 13 19.138 0.000 . 1 . . . . . 407 ALA CB . 53103 1 324 . 1 . 1 78 78 ALA N N 15 123.980 0.007 . 1 . . . . . 407 ALA N . 53103 1 325 . 1 . 1 79 79 ASP H H 1 8.221 0.001 . 1 . . . . . 408 ASP H . 53103 1 326 . 1 . 1 79 79 ASP C C 13 177.120 0.000 . 1 . . . . . 408 ASP C . 53103 1 327 . 1 . 1 79 79 ASP CA C 13 54.644 0.024 . 1 . . . . . 408 ASP CA . 53103 1 328 . 1 . 1 79 79 ASP CB C 13 40.880 0.000 . 1 . . . . . 408 ASP CB . 53103 1 329 . 1 . 1 79 79 ASP N N 15 118.973 0.005 . 1 . . . . . 408 ASP N . 53103 1 330 . 1 . 1 80 80 LEU H H 1 8.181 0.001 . 1 . . . . . 409 LEU H . 53103 1 331 . 1 . 1 80 80 LEU C C 13 178.207 0.000 . 1 . . . . . 409 LEU C . 53103 1 332 . 1 . 1 80 80 LEU CA C 13 56.289 0.044 . 1 . . . . . 409 LEU CA . 53103 1 333 . 1 . 1 80 80 LEU CB C 13 41.970 0.000 . 1 . . . . . 409 LEU CB . 53103 1 334 . 1 . 1 80 80 LEU N N 15 122.633 0.008 . 1 . . . . . 409 LEU N . 53103 1 335 . 1 . 1 81 81 ALA H H 1 8.278 0.002 . 1 . . . . . 410 ALA H . 53103 1 336 . 1 . 1 81 81 ALA C C 13 178.886 0.000 . 1 . . . . . 410 ALA C . 53103 1 337 . 1 . 1 81 81 ALA CA C 13 53.624 0.013 . 1 . . . . . 410 ALA CA . 53103 1 338 . 1 . 1 81 81 ALA CB C 13 18.585 0.000 . 1 . . . . . 410 ALA CB . 53103 1 339 . 1 . 1 81 81 ALA N N 15 122.731 0.007 . 1 . . . . . 410 ALA N . 53103 1 340 . 1 . 1 82 82 SER H H 1 8.045 0.001 . 1 . . . . . 411 SER H . 53103 1 341 . 1 . 1 82 82 SER C C 13 175.160 0.000 . 1 . . . . . 411 SER C . 53103 1 342 . 1 . 1 82 82 SER CA C 13 59.125 0.012 . 1 . . . . . 411 SER CA . 53103 1 343 . 1 . 1 82 82 SER CB C 13 63.400 0.000 . 1 . . . . . 411 SER CB . 53103 1 344 . 1 . 1 82 82 SER N N 15 113.725 0.009 . 1 . . . . . 411 SER N . 53103 1 345 . 1 . 1 83 83 LEU H H 1 7.993 0.001 . 1 . . . . . 412 LEU H . 53103 1 346 . 1 . 1 83 83 LEU C C 13 177.662 0.000 . 1 . . . . . 412 LEU C . 53103 1 347 . 1 . 1 83 83 LEU CA C 13 55.801 0.027 . 1 . . . . . 412 LEU CA . 53103 1 348 . 1 . 1 83 83 LEU CB C 13 42.077 0.000 . 1 . . . . . 412 LEU CB . 53103 1 349 . 1 . 1 83 83 LEU N N 15 123.105 0.008 . 1 . . . . . 412 LEU N . 53103 1 350 . 1 . 1 84 84 HIS H H 1 8.202 0.003 . 1 . . . . . 413 HIS H . 53103 1 351 . 1 . 1 84 84 HIS C C 13 176.132 0.000 . 1 . . . . . 413 HIS C . 53103 1 352 . 1 . 1 84 84 HIS CA C 13 56.431 0.026 . 1 . . . . . 413 HIS CA . 53103 1 353 . 1 . 1 84 84 HIS CB C 13 30.493 0.000 . 1 . . . . . 413 HIS CB . 53103 1 354 . 1 . 1 84 84 HIS N N 15 118.529 0.011 . 1 . . . . . 413 HIS N . 53103 1 355 . 1 . 1 85 85 GLY H H 1 8.313 0.003 . 1 . . . . . 414 GLY H . 53103 1 356 . 1 . 1 85 85 GLY C C 13 174.140 0.000 . 1 . . . . . 414 GLY C . 53103 1 357 . 1 . 1 85 85 GLY CA C 13 45.365 0.011 . 1 . . . . . 414 GLY CA . 53103 1 358 . 1 . 1 85 85 GLY N N 15 109.716 0.011 . 1 . . . . . 414 GLY N . 53103 1 359 . 1 . 1 86 86 ALA H H 1 8.329 0.001 . 1 . . . . . 415 ALA H . 53103 1 360 . 1 . 1 86 86 ALA C C 13 178.453 0.000 . 1 . . . . . 415 ALA C . 53103 1 361 . 1 . 1 86 86 ALA CA C 13 52.823 0.014 . 1 . . . . . 415 ALA CA . 53103 1 362 . 1 . 1 86 86 ALA CB C 13 19.160 0.000 . 1 . . . . . 415 ALA CB . 53103 1 363 . 1 . 1 86 86 ALA N N 15 123.872 0.004 . 1 . . . . . 415 ALA N . 53103 1 364 . 1 . 1 87 87 GLY H H 1 8.487 0.002 . 1 . . . . . 416 GLY H . 53103 1 365 . 1 . 1 87 87 GLY C C 13 174.070 0.000 . 1 . . . . . 416 GLY C . 53103 1 366 . 1 . 1 87 87 GLY CA C 13 45.224 0.003 . 1 . . . . . 416 GLY CA . 53103 1 367 . 1 . 1 87 87 GLY N N 15 108.239 0.006 . 1 . . . . . 416 GLY N . 53103 1 368 . 1 . 1 88 88 ALA H H 1 8.186 0.001 . 1 . . . . . 417 ALA H . 53103 1 369 . 1 . 1 88 88 ALA C C 13 177.501 0.000 . 1 . . . . . 417 ALA C . 53103 1 370 . 1 . 1 88 88 ALA CA C 13 52.525 0.003 . 1 . . . . . 417 ALA CA . 53103 1 371 . 1 . 1 88 88 ALA CB C 13 19.317 0.000 . 1 . . . . . 417 ALA CB . 53103 1 372 . 1 . 1 88 88 ALA N N 15 123.835 0.000 . 1 . . . . . 417 ALA N . 53103 1 373 . 1 . 1 89 89 ALA H H 1 8.375 0.001 . 1 . . . . . 418 ALA H . 53103 1 374 . 1 . 1 89 89 ALA C C 13 177.905 0.000 . 1 . . . . . 418 ALA C . 53103 1 375 . 1 . 1 89 89 ALA CA C 13 52.342 0.021 . 1 . . . . . 418 ALA CA . 53103 1 376 . 1 . 1 89 89 ALA CB C 13 19.390 0.000 . 1 . . . . . 418 ALA CB . 53103 1 377 . 1 . 1 89 89 ALA N N 15 123.070 0.006 . 1 . . . . . 418 ALA N . 53103 1 378 . 1 . 1 90 90 GLY H H 1 8.226 0.001 . 1 . . . . . 419 GLY H . 53103 1 379 . 1 . 1 90 90 GLY CA C 13 44.535 0.000 . 1 . . . . . 419 GLY CA . 53103 1 380 . 1 . 1 90 90 GLY N N 15 108.097 0.006 . 1 . . . . . 419 GLY N . 53103 1 381 . 1 . 1 91 91 PRO C C 13 177.871 0.000 . 1 . . . . . 420 PRO C . 53103 1 382 . 1 . 1 91 91 PRO CA C 13 63.577 0.001 . 1 . . . . . 420 PRO CA . 53103 1 383 . 1 . 1 91 91 PRO CB C 13 31.999 0.000 . 1 . . . . . 420 PRO CB . 53103 1 384 . 1 . 1 92 92 GLY H H 1 8.702 0.002 . 1 . . . . . 421 GLY H . 53103 1 385 . 1 . 1 92 92 GLY C C 13 174.475 0.000 . 1 . . . . . 421 GLY C . 53103 1 386 . 1 . 1 92 92 GLY CA C 13 45.270 0.017 . 1 . . . . . 421 GLY CA . 53103 1 387 . 1 . 1 92 92 GLY N N 15 110.121 0.009 . 1 . . . . . 421 GLY N . 53103 1 388 . 1 . 1 93 93 SER H H 1 8.310 0.001 . 1 . . . . . 422 SER H . 53103 1 389 . 1 . 1 93 93 SER C C 13 175.156 0.000 . 1 . . . . . 422 SER C . 53103 1 390 . 1 . 1 93 93 SER CA C 13 58.647 0.010 . 1 . . . . . 422 SER CA . 53103 1 391 . 1 . 1 93 93 SER CB C 13 63.960 0.000 . 1 . . . . . 422 SER CB . 53103 1 392 . 1 . 1 93 93 SER N N 15 115.644 0.009 . 1 . . . . . 422 SER N . 53103 1 393 . 1 . 1 94 94 GLY H H 1 8.596 0.002 . 1 . . . . . 423 GLY H . 53103 1 394 . 1 . 1 94 94 GLY C C 13 173.840 0.000 . 1 . . . . . 423 GLY C . 53103 1 395 . 1 . 1 94 94 GLY CA C 13 45.067 0.026 . 1 . . . . . 423 GLY CA . 53103 1 396 . 1 . 1 94 94 GLY N N 15 110.932 0.005 . 1 . . . . . 423 GLY N . 53103 1 397 . 1 . 1 95 95 SER H H 1 8.280 0.001 . 1 . . . . . 424 SER H . 53103 1 398 . 1 . 1 95 95 SER CA C 13 56.424 0.000 . 1 . . . . . 424 SER CA . 53103 1 399 . 1 . 1 95 95 SER N N 15 116.916 0.004 . 1 . . . . . 424 SER N . 53103 1 400 . 1 . 1 96 96 PRO C C 13 177.179 0.000 . 1 . . . . . 425 PRO C . 53103 1 401 . 1 . 1 96 96 PRO CA C 13 63.511 0.008 . 1 . . . . . 425 PRO CA . 53103 1 402 . 1 . 1 96 96 PRO CB C 13 32.016 0.000 . 1 . . . . . 425 PRO CB . 53103 1 403 . 1 . 1 97 97 SER H H 1 8.449 0.004 . 1 . . . . . 426 SER H . 53103 1 404 . 1 . 1 97 97 SER C C 13 174.582 0.000 . 1 . . . . . 426 SER C . 53103 1 405 . 1 . 1 97 97 SER CA C 13 58.358 0.015 . 1 . . . . . 426 SER CA . 53103 1 406 . 1 . 1 97 97 SER CB C 13 63.741 0.000 . 1 . . . . . 426 SER CB . 53103 1 407 . 1 . 1 97 97 SER N N 15 115.930 0.005 . 1 . . . . . 426 SER N . 53103 1 408 . 1 . 1 98 98 ALA H H 1 8.418 0.006 . 1 . . . . . 427 ALA H . 53103 1 409 . 1 . 1 98 98 ALA C C 13 177.794 0.000 . 1 . . . . . 427 ALA C . 53103 1 410 . 1 . 1 98 98 ALA CA C 13 52.815 0.014 . 1 . . . . . 427 ALA CA . 53103 1 411 . 1 . 1 98 98 ALA CB C 13 19.066 0.000 . 1 . . . . . 427 ALA CB . 53103 1 412 . 1 . 1 98 98 ALA N N 15 126.370 0.004 . 1 . . . . . 427 ALA N . 53103 1 413 . 1 . 1 99 99 ALA H H 1 8.295 0.001 . 1 . . . . . 428 ALA H . 53103 1 414 . 1 . 1 99 99 ALA C C 13 177.915 0.000 . 1 . . . . . 428 ALA C . 53103 1 415 . 1 . 1 99 99 ALA CA C 13 52.671 0.015 . 1 . . . . . 428 ALA CA . 53103 1 416 . 1 . 1 99 99 ALA CB C 13 18.987 0.000 . 1 . . . . . 428 ALA CB . 53103 1 417 . 1 . 1 99 99 ALA N N 15 122.965 0.008 . 1 . . . . . 428 ALA N . 53103 1 418 . 1 . 1 100 100 ALA H H 1 8.310 0.001 . 1 . . . . . 429 ALA H . 53103 1 419 . 1 . 1 100 100 ALA C C 13 178.141 0.000 . 1 . . . . . 429 ALA C . 53103 1 420 . 1 . 1 100 100 ALA CA C 13 52.749 0.038 . 1 . . . . . 429 ALA CA . 53103 1 421 . 1 . 1 100 100 ALA CB C 13 19.003 0.000 . 1 . . . . . 429 ALA CB . 53103 1 422 . 1 . 1 100 100 ALA N N 15 123.147 0.013 . 1 . . . . . 429 ALA N . 53103 1 423 . 1 . 1 101 101 SER H H 1 8.284 0.001 . 1 . . . . . 430 SER H . 53103 1 424 . 1 . 1 101 101 SER C C 13 174.903 0.000 . 1 . . . . . 430 SER C . 53103 1 425 . 1 . 1 101 101 SER CA C 13 58.562 0.050 . 1 . . . . . 430 SER CA . 53103 1 426 . 1 . 1 101 101 SER CB C 13 63.749 0.000 . 1 . . . . . 430 SER CB . 53103 1 427 . 1 . 1 101 101 SER N N 15 114.759 0.008 . 1 . . . . . 430 SER N . 53103 1 428 . 1 . 1 102 102 SER H H 1 8.390 0.003 . 1 . . . . . 431 SER H . 53103 1 429 . 1 . 1 102 102 SER C C 13 174.782 0.000 . 1 . . . . . 431 SER C . 53103 1 430 . 1 . 1 102 102 SER CA C 13 58.642 0.013 . 1 . . . . . 431 SER CA . 53103 1 431 . 1 . 1 102 102 SER CB C 13 63.615 0.000 . 1 . . . . . 431 SER CB . 53103 1 432 . 1 . 1 102 102 SER N N 15 117.769 0.011 . 1 . . . . . 431 SER N . 53103 1 433 . 1 . 1 103 103 SER H H 1 8.357 0.003 . 1 . . . . . 432 SER H . 53103 1 434 . 1 . 1 103 103 SER C C 13 174.512 0.000 . 1 . . . . . 432 SER C . 53103 1 435 . 1 . 1 103 103 SER CA C 13 58.667 0.009 . 1 . . . . . 432 SER CA . 53103 1 436 . 1 . 1 103 103 SER CB C 13 63.618 0.000 . 1 . . . . . 432 SER CB . 53103 1 437 . 1 . 1 103 103 SER N N 15 117.496 0.011 . 1 . . . . . 432 SER N . 53103 1 438 . 1 . 1 104 104 TRP H H 1 8.085 0.002 . 1 . . . . . 433 TRP H . 53103 1 439 . 1 . 1 104 104 TRP C C 13 176.148 0.000 . 1 . . . . . 433 TRP C . 53103 1 440 . 1 . 1 104 104 TRP CA C 13 57.846 0.058 . 1 . . . . . 433 TRP CA . 53103 1 441 . 1 . 1 104 104 TRP CB C 13 29.557 0.000 . 1 . . . . . 433 TRP CB . 53103 1 442 . 1 . 1 104 104 TRP N N 15 122.649 0.006 . 1 . . . . . 433 TRP N . 53103 1 443 . 1 . 1 105 105 HIS H H 1 7.931 0.002 . 1 . . . . . 434 HIS H . 53103 1 444 . 1 . 1 105 105 HIS C C 13 175.393 0.000 . 1 . . . . . 434 HIS C . 53103 1 445 . 1 . 1 105 105 HIS CA C 13 56.657 0.025 . 1 . . . . . 434 HIS CA . 53103 1 446 . 1 . 1 105 105 HIS CB C 13 30.546 0.000 . 1 . . . . . 434 HIS CB . 53103 1 447 . 1 . 1 105 105 HIS N N 15 119.845 0.007 . 1 . . . . . 434 HIS N . 53103 1 448 . 1 . 1 106 106 THR H H 1 7.968 0.001 . 1 . . . . . 435 THR H . 53103 1 449 . 1 . 1 106 106 THR C C 13 174.324 0.000 . 1 . . . . . 435 THR C . 53103 1 450 . 1 . 1 106 106 THR CA C 13 62.366 0.005 . 1 . . . . . 435 THR CA . 53103 1 451 . 1 . 1 106 106 THR CB C 13 69.676 0.000 . 1 . . . . . 435 THR CB . 53103 1 452 . 1 . 1 106 106 THR N N 15 114.963 0.006 . 1 . . . . . 435 THR N . 53103 1 453 . 1 . 1 107 107 LEU H H 1 8.201 0.002 . 1 . . . . . 436 LEU H . 53103 1 454 . 1 . 1 107 107 LEU C C 13 176.940 0.000 . 1 . . . . . 436 LEU C . 53103 1 455 . 1 . 1 107 107 LEU CA C 13 55.332 0.026 . 1 . . . . . 436 LEU CA . 53103 1 456 . 1 . 1 107 107 LEU CB C 13 42.321 0.000 . 1 . . . . . 436 LEU CB . 53103 1 457 . 1 . 1 107 107 LEU N N 15 123.985 0.013 . 1 . . . . . 436 LEU N . 53103 1 458 . 1 . 1 108 108 PHE H H 1 8.226 0.004 . 1 . . . . . 437 PHE H . 53103 1 459 . 1 . 1 108 108 PHE C C 13 175.806 0.000 . 1 . . . . . 437 PHE C . 53103 1 460 . 1 . 1 108 108 PHE CA C 13 57.663 0.029 . 1 . . . . . 437 PHE CA . 53103 1 461 . 1 . 1 108 108 PHE CB C 13 39.804 0.000 . 1 . . . . . 437 PHE CB . 53103 1 462 . 1 . 1 108 108 PHE N N 15 120.741 0.008 . 1 . . . . . 437 PHE N . 53103 1 463 . 1 . 1 109 109 THR H H 1 8.173 0.001 . 1 . . . . . 438 THR H . 53103 1 464 . 1 . 1 109 109 THR C C 13 174.037 0.000 . 1 . . . . . 438 THR C . 53103 1 465 . 1 . 1 109 109 THR CA C 13 61.481 0.035 . 1 . . . . . 438 THR CA . 53103 1 466 . 1 . 1 109 109 THR CB C 13 70.170 0.000 . 1 . . . . . 438 THR CB . 53103 1 467 . 1 . 1 109 109 THR N N 15 116.118 0.010 . 1 . . . . . 438 THR N . 53103 1 468 . 1 . 1 110 110 ALA H H 1 8.436 0.002 . 1 . . . . . 439 ALA H . 53103 1 469 . 1 . 1 110 110 ALA C C 13 178.035 0.000 . 1 . . . . . 439 ALA C . 53103 1 470 . 1 . 1 110 110 ALA CA C 13 52.825 0.015 . 1 . . . . . 439 ALA CA . 53103 1 471 . 1 . 1 110 110 ALA CB C 13 19.123 0.000 . 1 . . . . . 439 ALA CB . 53103 1 472 . 1 . 1 110 110 ALA N N 15 126.368 0.003 . 1 . . . . . 439 ALA N . 53103 1 473 . 1 . 1 111 111 GLU H H 1 8.495 0.001 . 1 . . . . . 440 GLU H . 53103 1 474 . 1 . 1 111 111 GLU C C 13 176.960 0.000 . 1 . . . . . 440 GLU C . 53103 1 475 . 1 . 1 111 111 GLU CA C 13 56.930 0.005 . 1 . . . . . 440 GLU CA . 53103 1 476 . 1 . 1 111 111 GLU CB C 13 30.200 0.000 . 1 . . . . . 440 GLU CB . 53103 1 477 . 1 . 1 111 111 GLU N N 15 120.076 0.006 . 1 . . . . . 440 GLU N . 53103 1 478 . 1 . 1 112 112 GLU H H 1 8.501 0.001 . 1 . . . . . 441 GLU H . 53103 1 479 . 1 . 1 112 112 GLU C C 13 177.314 0.000 . 1 . . . . . 441 GLU C . 53103 1 480 . 1 . 1 112 112 GLU CA C 13 57.202 0.039 . 1 . . . . . 441 GLU CA . 53103 1 481 . 1 . 1 112 112 GLU CB C 13 30.186 0.000 . 1 . . . . . 441 GLU CB . 53103 1 482 . 1 . 1 112 112 GLU N N 15 121.958 0.006 . 1 . . . . . 441 GLU N . 53103 1 483 . 1 . 1 113 113 GLY H H 1 8.539 0.001 . 1 . . . . . 442 GLY H . 53103 1 484 . 1 . 1 113 113 GLY C C 13 174.184 0.000 . 1 . . . . . 442 GLY C . 53103 1 485 . 1 . 1 113 113 GLY CA C 13 45.466 0.016 . 1 . . . . . 442 GLY CA . 53103 1 486 . 1 . 1 113 113 GLY N N 15 109.807 0.004 . 1 . . . . . 442 GLY N . 53103 1 487 . 1 . 1 114 114 GLN H H 1 8.144 0.001 . 1 . . . . . 443 GLN H . 53103 1 488 . 1 . 1 114 114 GLN C C 13 175.832 0.000 . 1 . . . . . 443 GLN C . 53103 1 489 . 1 . 1 114 114 GLN CA C 13 55.695 0.008 . 1 . . . . . 443 GLN CA . 53103 1 490 . 1 . 1 114 114 GLN N N 15 119.610 0.003 . 1 . . . . . 443 GLN N . 53103 1 491 . 1 . 1 115 115 LEU H H 1 8.268 0.001 . 1 . . . . . 444 LEU H . 53103 1 492 . 1 . 1 115 115 LEU C C 13 177.023 0.000 . 1 . . . . . 444 LEU C . 53103 1 493 . 1 . 1 115 115 LEU CA C 13 55.268 0.025 . 1 . . . . . 444 LEU CA . 53103 1 494 . 1 . 1 115 115 LEU CB C 13 42.424 0.000 . 1 . . . . . 444 LEU CB . 53103 1 495 . 1 . 1 115 115 LEU N N 15 123.195 0.009 . 1 . . . . . 444 LEU N . 53103 1 496 . 1 . 1 116 116 TYR H H 1 8.290 0.001 . 1 . . . . . 445 TYR H . 53103 1 497 . 1 . 1 116 116 TYR C C 13 175.900 0.000 . 1 . . . . . 445 TYR C . 53103 1 498 . 1 . 1 116 116 TYR CA C 13 57.436 0.025 . 1 . . . . . 445 TYR CA . 53103 1 499 . 1 . 1 116 116 TYR CB C 13 39.049 0.000 . 1 . . . . . 445 TYR CB . 53103 1 500 . 1 . 1 116 116 TYR N N 15 120.134 0.012 . 1 . . . . . 445 TYR N . 53103 1 501 . 1 . 1 117 117 GLY H H 1 8.181 0.002 . 1 . . . . . 446 GLY H . 53103 1 502 . 1 . 1 117 117 GLY CA C 13 44.533 0.000 . 1 . . . . . 446 GLY CA . 53103 1 503 . 1 . 1 117 117 GLY N N 15 110.240 0.009 . 1 . . . . . 446 GLY N . 53103 1 504 . 1 . 1 118 118 PRO C C 13 176.438 0.000 . 1 . . . . . 447 PRO C . 53103 1 505 . 1 . 1 118 118 PRO CA C 13 63.310 0.004 . 1 . . . . . 447 PRO CA . 53103 1 506 . 1 . 1 118 118 PRO CB C 13 32.031 0.000 . 1 . . . . . 447 PRO CB . 53103 1 507 . 1 . 1 119 119 CYS H H 1 8.189 0.001 . 1 . . . . . 448 CYS H . 53103 1 508 . 1 . 1 119 119 CYS CA C 13 59.482 0.000 . 1 . . . . . 448 CYS CA . 53103 1 509 . 1 . 1 119 119 CYS N N 15 123.858 0.006 . 1 . . . . . 448 CYS N . 53103 1 stop_ save_