################################### # 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 53101 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Tau-5* A398P' _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' . . . 53101 1 2 '3D HNCO' . . . 53101 1 3 '3D HNCA' . . . 53101 1 4 '3D HN(CA)CO' . . . 53101 1 5 '3D HN(CO)CACB' . . . 53101 1 6 '3D HN(CA)NNH' . . . 53101 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 . . 53101 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 8.685 0.001 . 1 . . . . . 330 ALA H . 53101 1 2 . 1 . 1 1 1 ALA C C 13 177.751 0.000 . 1 . . . . . 330 ALA C . 53101 1 3 . 1 . 1 1 1 ALA CA C 13 52.356 0.000 . 1 . . . . . 330 ALA CA . 53101 1 4 . 1 . 1 1 1 ALA CB C 13 19.073 0.000 . 1 . . . . . 330 ALA CB . 53101 1 5 . 1 . 1 1 1 ALA N N 15 125.196 0.001 . 1 . . . . . 330 ALA N . 53101 1 6 . 1 . 1 2 2 ALA H H 1 8.578 0.000 . 1 . . . . . 331 ALA H . 53101 1 7 . 1 . 1 2 2 ALA C C 13 178.495 0.000 . 1 . . . . . 331 ALA C . 53101 1 8 . 1 . 1 2 2 ALA CA C 13 52.740 0.000 . 1 . . . . . 331 ALA CA . 53101 1 9 . 1 . 1 2 2 ALA CB C 13 19.014 0.000 . 1 . . . . . 331 ALA CB . 53101 1 10 . 1 . 1 2 2 ALA N N 15 124.275 0.006 . 1 . . . . . 331 ALA N . 53101 1 11 . 1 . 1 3 3 GLY H H 1 8.562 0.001 . 1 . . . . . 332 GLY H . 53101 1 12 . 1 . 1 3 3 GLY C C 13 174.413 0.000 . 1 . . . . . 332 GLY C . 53101 1 13 . 1 . 1 3 3 GLY CA C 13 45.219 0.000 . 1 . . . . . 332 GLY CA . 53101 1 14 . 1 . 1 3 3 GLY N N 15 108.920 0.005 . 1 . . . . . 332 GLY N . 53101 1 15 . 1 . 1 4 4 SER H H 1 8.348 0.001 . 1 . . . . . 333 SER H . 53101 1 16 . 1 . 1 4 4 SER C C 13 174.943 0.000 . 1 . . . . . 333 SER C . 53101 1 17 . 1 . 1 4 4 SER CA C 13 58.388 0.000 . 1 . . . . . 333 SER CA . 53101 1 18 . 1 . 1 4 4 SER CB C 13 64.016 0.000 . 1 . . . . . 333 SER CB . 53101 1 19 . 1 . 1 4 4 SER N N 15 115.712 0.003 . 1 . . . . . 333 SER N . 53101 1 20 . 1 . 1 5 5 SER H H 1 8.628 0.003 . 1 . . . . . 334 SER H . 53101 1 21 . 1 . 1 5 5 SER C C 13 175.109 0.000 . 1 . . . . . 334 SER C . 53101 1 22 . 1 . 1 5 5 SER CA C 13 58.689 0.000 . 1 . . . . . 334 SER CA . 53101 1 23 . 1 . 1 5 5 SER CB C 13 63.805 0.000 . 1 . . . . . 334 SER CB . 53101 1 24 . 1 . 1 5 5 SER N N 15 117.984 0.004 . 1 . . . . . 334 SER N . 53101 1 25 . 1 . 1 6 6 GLY H H 1 8.546 0.001 . 1 . . . . . 335 GLY H . 53101 1 26 . 1 . 1 6 6 GLY C C 13 174.233 0.000 . 1 . . . . . 335 GLY C . 53101 1 27 . 1 . 1 6 6 GLY CA C 13 45.320 0.000 . 1 . . . . . 335 GLY CA . 53101 1 28 . 1 . 1 6 6 GLY N N 15 110.994 0.003 . 1 . . . . . 335 GLY N . 53101 1 29 . 1 . 1 7 7 THR H H 1 8.163 0.000 . 1 . . . . . 336 THR H . 53101 1 30 . 1 . 1 7 7 THR C C 13 174.441 0.000 . 1 . . . . . 336 THR C . 53101 1 31 . 1 . 1 7 7 THR CA C 13 61.852 0.000 . 1 . . . . . 336 THR CA . 53101 1 32 . 1 . 1 7 7 THR CB C 13 69.882 0.000 . 1 . . . . . 336 THR CB . 53101 1 33 . 1 . 1 7 7 THR N N 15 114.384 0.003 . 1 . . . . . 336 THR N . 53101 1 34 . 1 . 1 8 8 LEU H H 1 8.425 0.000 . 1 . . . . . 337 LEU H . 53101 1 35 . 1 . 1 8 8 LEU C C 13 177.086 0.000 . 1 . . . . . 337 LEU C . 53101 1 36 . 1 . 1 8 8 LEU CA C 13 55.192 0.000 . 1 . . . . . 337 LEU CA . 53101 1 37 . 1 . 1 8 8 LEU CB C 13 42.336 0.000 . 1 . . . . . 337 LEU CB . 53101 1 38 . 1 . 1 8 8 LEU N N 15 125.070 0.006 . 1 . . . . . 337 LEU N . 53101 1 39 . 1 . 1 9 9 GLU H H 1 8.468 0.000 . 1 . . . . . 338 GLU H . 53101 1 40 . 1 . 1 9 9 GLU C C 13 176.036 0.000 . 1 . . . . . 338 GLU C . 53101 1 41 . 1 . 1 9 9 GLU CA C 13 56.128 0.000 . 1 . . . . . 338 GLU CA . 53101 1 42 . 1 . 1 9 9 GLU CB C 13 30.296 0.000 . 1 . . . . . 338 GLU CB . 53101 1 43 . 1 . 1 9 9 GLU N N 15 122.653 0.001 . 1 . . . . . 338 GLU N . 53101 1 44 . 1 . 1 10 10 LEU H H 1 8.489 0.000 . 1 . . . . . 339 LEU H . 53101 1 45 . 1 . 1 10 10 LEU C C 13 175.241 0.024 . 1 . . . . . 339 LEU C . 53101 1 46 . 1 . 1 10 10 LEU CA C 13 52.899 0.097 . 1 . . . . . 339 LEU CA . 53101 1 47 . 1 . 1 10 10 LEU N N 15 125.456 0.005 . 1 . . . . . 339 LEU N . 53101 1 48 . 1 . 1 11 11 PRO C C 13 177.106 0.000 . 1 . . . . . 340 PRO C . 53101 1 49 . 1 . 1 11 11 PRO CA C 13 63.178 0.000 . 1 . . . . . 340 PRO CA . 53101 1 50 . 1 . 1 11 11 PRO CB C 13 32.116 0.000 . 1 . . . . . 340 PRO CB . 53101 1 51 . 1 . 1 12 12 SER H H 1 8.576 0.000 . 1 . . . . . 341 SER H . 53101 1 52 . 1 . 1 12 12 SER C C 13 175.380 0.000 . 1 . . . . . 341 SER C . 53101 1 53 . 1 . 1 12 12 SER CA C 13 58.393 0.000 . 1 . . . . . 341 SER CA . 53101 1 54 . 1 . 1 12 12 SER CB C 13 63.712 0.000 . 1 . . . . . 341 SER CB . 53101 1 55 . 1 . 1 12 12 SER N N 15 116.106 0.002 . 1 . . . . . 341 SER N . 53101 1 56 . 1 . 1 13 13 THR H H 1 8.322 0.001 . 1 . . . . . 342 THR H . 53101 1 57 . 1 . 1 13 13 THR C C 13 174.815 0.000 . 1 . . . . . 342 THR C . 53101 1 58 . 1 . 1 13 13 THR CA C 13 62.412 0.000 . 1 . . . . . 342 THR CA . 53101 1 59 . 1 . 1 13 13 THR CB C 13 69.477 0.000 . 1 . . . . . 342 THR CB . 53101 1 60 . 1 . 1 13 13 THR N N 15 116.466 0.008 . 1 . . . . . 342 THR N . 53101 1 61 . 1 . 1 14 14 LEU H H 1 8.221 0.001 . 1 . . . . . 343 LEU H . 53101 1 62 . 1 . 1 14 14 LEU C C 13 177.619 0.000 . 1 . . . . . 343 LEU C . 53101 1 63 . 1 . 1 14 14 LEU CA C 13 55.640 0.000 . 1 . . . . . 343 LEU CA . 53101 1 64 . 1 . 1 14 14 LEU CB C 13 42.184 0.000 . 1 . . . . . 343 LEU CB . 53101 1 65 . 1 . 1 14 14 LEU N N 15 123.950 0.009 . 1 . . . . . 343 LEU N . 53101 1 66 . 1 . 1 15 15 SER H H 1 8.348 0.000 . 1 . . . . . 344 SER H . 53101 1 67 . 1 . 1 15 15 SER C C 13 174.685 0.000 . 1 . . . . . 344 SER C . 53101 1 68 . 1 . 1 15 15 SER CA C 13 58.543 0.000 . 1 . . . . . 344 SER CA . 53101 1 69 . 1 . 1 15 15 SER CB C 13 63.579 0.000 . 1 . . . . . 344 SER CB . 53101 1 70 . 1 . 1 15 15 SER N N 15 116.665 0.004 . 1 . . . . . 344 SER N . 53101 1 71 . 1 . 1 16 16 LEU H H 1 8.238 0.001 . 1 . . . . . 345 LEU H . 53101 1 72 . 1 . 1 16 16 LEU C C 13 177.202 0.000 . 1 . . . . . 345 LEU C . 53101 1 73 . 1 . 1 16 16 LEU CA C 13 55.465 0.000 . 1 . . . . . 345 LEU CA . 53101 1 74 . 1 . 1 16 16 LEU CB C 13 42.209 0.000 . 1 . . . . . 345 LEU CB . 53101 1 75 . 1 . 1 16 16 LEU N N 15 124.084 0.004 . 1 . . . . . 345 LEU N . 53101 1 76 . 1 . 1 17 17 TYR H H 1 8.173 0.000 . 1 . . . . . 346 TYR H . 53101 1 77 . 1 . 1 17 17 TYR C C 13 175.767 0.000 . 1 . . . . . 346 TYR C . 53101 1 78 . 1 . 1 17 17 TYR CA C 13 58.034 0.000 . 1 . . . . . 346 TYR CA . 53101 1 79 . 1 . 1 17 17 TYR CB C 13 38.732 0.000 . 1 . . . . . 346 TYR CB . 53101 1 80 . 1 . 1 17 17 TYR N N 15 120.548 0.005 . 1 . . . . . 346 TYR N . 53101 1 81 . 1 . 1 18 18 LYS H H 1 8.234 0.001 . 1 . . . . . 347 LYS H . 53101 1 82 . 1 . 1 18 18 LYS C C 13 176.169 0.000 . 1 . . . . . 347 LYS C . 53101 1 83 . 1 . 1 18 18 LYS CA C 13 56.045 0.000 . 1 . . . . . 347 LYS CA . 53101 1 84 . 1 . 1 18 18 LYS N N 15 124.051 0.008 . 1 . . . . . 347 LYS N . 53101 1 85 . 1 . 1 19 19 SER H H 1 8.446 0.001 . 1 . . . . . 348 SER H . 53101 1 86 . 1 . 1 19 19 SER C C 13 175.186 0.000 . 1 . . . . . 348 SER C . 53101 1 87 . 1 . 1 19 19 SER CA C 13 58.651 0.000 . 1 . . . . . 348 SER CA . 53101 1 88 . 1 . 1 19 19 SER CB C 13 63.809 0.000 . 1 . . . . . 348 SER CB . 53101 1 89 . 1 . 1 19 19 SER N N 15 117.469 0.004 . 1 . . . . . 348 SER N . 53101 1 90 . 1 . 1 20 20 GLY H H 1 8.570 0.001 . 1 . . . . . 349 GLY H . 53101 1 91 . 1 . 1 20 20 GLY C C 13 173.984 0.000 . 1 . . . . . 349 GLY C . 53101 1 92 . 1 . 1 20 20 GLY CA C 13 45.269 0.000 . 1 . . . . . 349 GLY CA . 53101 1 93 . 1 . 1 20 20 GLY N N 15 111.473 0.004 . 1 . . . . . 349 GLY N . 53101 1 94 . 1 . 1 21 21 ALA H H 1 8.204 0.001 . 1 . . . . . 350 ALA H . 53101 1 95 . 1 . 1 21 21 ALA C C 13 178.082 0.000 . 1 . . . . . 350 ALA C . 53101 1 96 . 1 . 1 21 21 ALA CA C 13 52.684 0.000 . 1 . . . . . 350 ALA CA . 53101 1 97 . 1 . 1 21 21 ALA CB C 13 19.322 0.000 . 1 . . . . . 350 ALA CB . 53101 1 98 . 1 . 1 21 21 ALA N N 15 123.748 0.004 . 1 . . . . . 350 ALA N . 53101 1 99 . 1 . 1 22 22 LEU H H 1 8.389 0.001 . 1 . . . . . 351 LEU H . 53101 1 100 . 1 . 1 22 22 LEU C C 13 177.404 0.000 . 1 . . . . . 351 LEU C . 53101 1 101 . 1 . 1 22 22 LEU CA C 13 55.420 0.000 . 1 . . . . . 351 LEU CA . 53101 1 102 . 1 . 1 22 22 LEU CB C 13 42.209 0.000 . 1 . . . . . 351 LEU CB . 53101 1 103 . 1 . 1 22 22 LEU N N 15 121.169 0.003 . 1 . . . . . 351 LEU N . 53101 1 104 . 1 . 1 23 23 ASP H H 1 8.315 0.000 . 1 . . . . . 352 ASP H . 53101 1 105 . 1 . 1 23 23 ASP C C 13 176.684 0.000 . 1 . . . . . 352 ASP C . 53101 1 106 . 1 . 1 23 23 ASP CA C 13 54.294 0.000 . 1 . . . . . 352 ASP CA . 53101 1 107 . 1 . 1 23 23 ASP CB C 13 40.894 0.000 . 1 . . . . . 352 ASP CB . 53101 1 108 . 1 . 1 23 23 ASP N N 15 121.081 0.003 . 1 . . . . . 352 ASP N . 53101 1 109 . 1 . 1 24 24 GLU H H 1 8.457 0.001 . 1 . . . . . 353 GLU H . 53101 1 110 . 1 . 1 24 24 GLU C C 13 176.968 0.000 . 1 . . . . . 353 GLU C . 53101 1 111 . 1 . 1 24 24 GLU CA C 13 57.520 0.000 . 1 . . . . . 353 GLU CA . 53101 1 112 . 1 . 1 24 24 GLU CB C 13 30.042 0.000 . 1 . . . . . 353 GLU CB . 53101 1 113 . 1 . 1 24 24 GLU N N 15 122.285 0.002 . 1 . . . . . 353 GLU N . 53101 1 114 . 1 . 1 25 25 ALA H H 1 8.326 0.001 . 1 . . . . . 354 ALA H . 53101 1 115 . 1 . 1 25 25 ALA C C 13 178.396 0.000 . 1 . . . . . 354 ALA C . 53101 1 116 . 1 . 1 25 25 ALA CA C 13 53.252 0.000 . 1 . . . . . 354 ALA CA . 53101 1 117 . 1 . 1 25 25 ALA CB C 13 18.715 0.000 . 1 . . . . . 354 ALA CB . 53101 1 118 . 1 . 1 25 25 ALA N N 15 123.655 0.003 . 1 . . . . . 354 ALA N . 53101 1 119 . 1 . 1 26 26 ALA H H 1 8.090 0.000 . 1 . . . . . 355 ALA H . 53101 1 120 . 1 . 1 26 26 ALA C C 13 178.256 0.000 . 1 . . . . . 355 ALA C . 53101 1 121 . 1 . 1 26 26 ALA CA C 13 53.068 0.000 . 1 . . . . . 355 ALA CA . 53101 1 122 . 1 . 1 26 26 ALA CB C 13 18.872 0.000 . 1 . . . . . 355 ALA CB . 53101 1 123 . 1 . 1 26 26 ALA N N 15 122.196 0.004 . 1 . . . . . 355 ALA N . 53101 1 124 . 1 . 1 27 27 ALA H H 1 8.127 0.001 . 1 . . . . . 356 ALA H . 53101 1 125 . 1 . 1 27 27 ALA C C 13 178.082 0.000 . 1 . . . . . 356 ALA C . 53101 1 126 . 1 . 1 27 27 ALA CA C 13 53.018 0.000 . 1 . . . . . 356 ALA CA . 53101 1 127 . 1 . 1 27 27 ALA CB C 13 18.825 0.000 . 1 . . . . . 356 ALA CB . 53101 1 128 . 1 . 1 27 27 ALA N N 15 122.174 0.004 . 1 . . . . . 356 ALA N . 53101 1 129 . 1 . 1 28 28 TYR H H 1 8.048 0.000 . 1 . . . . . 357 TYR H . 53101 1 130 . 1 . 1 28 28 TYR C C 13 176.100 0.000 . 1 . . . . . 357 TYR C . 53101 1 131 . 1 . 1 28 28 TYR CA C 13 58.425 0.000 . 1 . . . . . 357 TYR CA . 53101 1 132 . 1 . 1 28 28 TYR CB C 13 38.457 0.000 . 1 . . . . . 357 TYR CB . 53101 1 133 . 1 . 1 28 28 TYR N N 15 118.796 0.004 . 1 . . . . . 357 TYR N . 53101 1 134 . 1 . 1 29 29 GLN H H 1 8.100 0.000 . 1 . . . . . 358 GLN H . 53101 1 135 . 1 . 1 29 29 GLN C C 13 175.759 0.000 . 1 . . . . . 358 GLN C . 53101 1 136 . 1 . 1 29 29 GLN CA C 13 55.826 0.000 . 1 . . . . . 358 GLN CA . 53101 1 137 . 1 . 1 29 29 GLN CB C 13 29.442 0.000 . 1 . . . . . 358 GLN CB . 53101 1 138 . 1 . 1 29 29 GLN N N 15 121.464 0.008 . 1 . . . . . 358 GLN N . 53101 1 139 . 1 . 1 30 30 SER H H 1 8.300 0.001 . 1 . . . . . 359 SER H . 53101 1 140 . 1 . 1 30 30 SER C C 13 174.860 0.000 . 1 . . . . . 359 SER C . 53101 1 141 . 1 . 1 30 30 SER CA C 13 58.598 0.000 . 1 . . . . . 359 SER CA . 53101 1 142 . 1 . 1 30 30 SER CB C 13 63.663 0.000 . 1 . . . . . 359 SER CB . 53101 1 143 . 1 . 1 30 30 SER N N 15 116.682 0.007 . 1 . . . . . 359 SER N . 53101 1 144 . 1 . 1 31 31 ARG H H 1 8.356 0.002 . 1 . . . . . 360 ARG H . 53101 1 145 . 1 . 1 31 31 ARG C C 13 175.937 0.000 . 1 . . . . . 360 ARG C . 53101 1 146 . 1 . 1 31 31 ARG CA C 13 56.469 0.000 . 1 . . . . . 360 ARG CA . 53101 1 147 . 1 . 1 31 31 ARG CB C 13 30.530 0.000 . 1 . . . . . 360 ARG CB . 53101 1 148 . 1 . 1 31 31 ARG N N 15 122.765 0.010 . 1 . . . . . 360 ARG N . 53101 1 149 . 1 . 1 32 32 ASP H H 1 8.332 0.000 . 1 . . . . . 361 ASP H . 53101 1 150 . 1 . 1 32 32 ASP C C 13 176.098 0.000 . 1 . . . . . 361 ASP C . 53101 1 151 . 1 . 1 32 32 ASP CA C 13 54.352 0.000 . 1 . . . . . 361 ASP CA . 53101 1 152 . 1 . 1 32 32 ASP CB C 13 40.834 0.000 . 1 . . . . . 361 ASP CB . 53101 1 153 . 1 . 1 32 32 ASP N N 15 120.602 0.006 . 1 . . . . . 361 ASP N . 53101 1 154 . 1 . 1 33 33 TYR H H 1 8.009 0.001 . 1 . . . . . 362 TYR H . 53101 1 155 . 1 . 1 33 33 TYR C C 13 175.652 0.000 . 1 . . . . . 362 TYR C . 53101 1 156 . 1 . 1 33 33 TYR CA C 13 58.682 0.000 . 1 . . . . . 362 TYR CA . 53101 1 157 . 1 . 1 33 33 TYR CB C 13 38.504 0.000 . 1 . . . . . 362 TYR CB . 53101 1 158 . 1 . 1 33 33 TYR N N 15 120.310 0.006 . 1 . . . . . 362 TYR N . 53101 1 159 . 1 . 1 34 34 TYR H H 1 8.002 0.000 . 1 . . . . . 363 TYR H . 53101 1 160 . 1 . 1 34 34 TYR C C 13 175.337 0.000 . 1 . . . . . 363 TYR C . 53101 1 161 . 1 . 1 34 34 TYR CA C 13 58.407 0.000 . 1 . . . . . 363 TYR CA . 53101 1 162 . 1 . 1 34 34 TYR CB C 13 38.562 0.000 . 1 . . . . . 363 TYR CB . 53101 1 163 . 1 . 1 34 34 TYR N N 15 120.011 0.003 . 1 . . . . . 363 TYR N . 53101 1 164 . 1 . 1 35 35 ASN H H 1 8.015 0.001 . 1 . . . . . 364 ASN H . 53101 1 165 . 1 . 1 35 35 ASN C C 13 174.140 0.000 . 1 . . . . . 364 ASN C . 53101 1 166 . 1 . 1 35 35 ASN CA C 13 53.056 0.000 . 1 . . . . . 364 ASN CA . 53101 1 167 . 1 . 1 35 35 ASN CB C 13 38.978 0.000 . 1 . . . . . 364 ASN CB . 53101 1 168 . 1 . 1 35 35 ASN N N 15 119.362 0.005 . 1 . . . . . 364 ASN N . 53101 1 169 . 1 . 1 36 36 PHE H H 1 8.047 0.001 . 1 . . . . . 365 PHE H . 53101 1 170 . 1 . 1 36 36 PHE C C 13 173.622 0.000 . 1 . . . . . 365 PHE C . 53101 1 171 . 1 . 1 36 36 PHE CA C 13 55.996 0.000 . 1 . . . . . 365 PHE CA . 53101 1 172 . 1 . 1 36 36 PHE N N 15 121.302 0.005 . 1 . . . . . 365 PHE N . 53101 1 173 . 1 . 1 37 37 PRO C C 13 176.979 0.000 . 1 . . . . . 366 PRO C . 53101 1 174 . 1 . 1 37 37 PRO CA C 13 63.314 0.000 . 1 . . . . . 366 PRO CA . 53101 1 175 . 1 . 1 37 37 PRO CB C 13 31.935 0.000 . 1 . . . . . 366 PRO CB . 53101 1 176 . 1 . 1 38 38 LEU H H 1 8.352 0.001 . 1 . . . . . 367 LEU H . 53101 1 177 . 1 . 1 38 38 LEU C C 13 177.374 0.000 . 1 . . . . . 367 LEU C . 53101 1 178 . 1 . 1 38 38 LEU CA C 13 55.227 0.000 . 1 . . . . . 367 LEU CA . 53101 1 179 . 1 . 1 38 38 LEU CB C 13 42.381 0.000 . 1 . . . . . 367 LEU CB . 53101 1 180 . 1 . 1 38 38 LEU N N 15 122.302 0.007 . 1 . . . . . 367 LEU N . 53101 1 181 . 1 . 1 39 39 ALA H H 1 8.359 0.001 . 1 . . . . . 368 ALA H . 53101 1 182 . 1 . 1 39 39 ALA C C 13 177.616 0.000 . 1 . . . . . 368 ALA C . 53101 1 183 . 1 . 1 39 39 ALA CA C 13 52.420 0.000 . 1 . . . . . 368 ALA CA . 53101 1 184 . 1 . 1 39 39 ALA CB C 13 19.059 0.000 . 1 . . . . . 368 ALA CB . 53101 1 185 . 1 . 1 39 39 ALA N N 15 124.951 0.020 . 1 . . . . . 368 ALA N . 53101 1 186 . 1 . 1 40 40 LEU H H 1 8.263 0.001 . 1 . . . . . 369 LEU H . 53101 1 187 . 1 . 1 40 40 LEU C C 13 177.142 0.000 . 1 . . . . . 369 LEU C . 53101 1 188 . 1 . 1 40 40 LEU CA C 13 54.976 0.000 . 1 . . . . . 369 LEU CA . 53101 1 189 . 1 . 1 40 40 LEU CB C 13 42.394 0.000 . 1 . . . . . 369 LEU CB . 53101 1 190 . 1 . 1 40 40 LEU N N 15 121.664 0.009 . 1 . . . . . 369 LEU N . 53101 1 191 . 1 . 1 41 41 ALA H H 1 8.364 0.001 . 1 . . . . . 370 ALA H . 53101 1 192 . 1 . 1 41 41 ALA C C 13 177.739 0.000 . 1 . . . . . 370 ALA C . 53101 1 193 . 1 . 1 41 41 ALA CA C 13 52.404 0.000 . 1 . . . . . 370 ALA CA . 53101 1 194 . 1 . 1 41 41 ALA CB C 13 19.468 0.000 . 1 . . . . . 370 ALA CB . 53101 1 195 . 1 . 1 41 41 ALA N N 15 125.038 0.011 . 1 . . . . . 370 ALA N . 53101 1 196 . 1 . 1 42 42 GLY H H 1 8.213 0.000 . 1 . . . . . 371 GLY H . 53101 1 197 . 1 . 1 42 42 GLY C C 13 178.963 0.000 . 1 . . . . . 371 GLY C . 53101 1 198 . 1 . 1 42 42 GLY CA C 13 44.342 0.000 . 1 . . . . . 371 GLY CA . 53101 1 199 . 1 . 1 42 42 GLY N N 15 108.545 0.008 . 1 . . . . . 371 GLY N . 53101 1 200 . 1 . 1 50 50 PRO C C 13 176.348 0.000 . 1 . . . . . 379 PRO C . 53101 1 201 . 1 . 1 50 50 PRO CA C 13 62.761 0.000 . 1 . . . . . 379 PRO CA . 53101 1 202 . 1 . 1 51 51 HIS H H 1 8.424 0.002 . 1 . . . . . 380 HIS H . 53101 1 203 . 1 . 1 51 51 HIS C C 13 174.218 0.000 . 1 . . . . . 380 HIS C . 53101 1 204 . 1 . 1 51 51 HIS CA C 13 54.498 0.000 . 1 . . . . . 380 HIS CA . 53101 1 205 . 1 . 1 51 51 HIS N N 15 121.345 0.019 . 1 . . . . . 380 HIS N . 53101 1 206 . 1 . 1 53 53 HIS H H 1 8.834 0.000 . 1 . . . . . 382 HIS H . 53101 1 207 . 1 . 1 53 53 HIS C C 13 175.423 0.000 . 1 . . . . . 382 HIS C . 53101 1 208 . 1 . 1 53 53 HIS N N 15 119.811 0.000 . 1 . . . . . 382 HIS N . 53101 1 209 . 1 . 1 54 54 ALA H H 1 8.289 0.001 . 1 . . . . . 383 ALA H . 53101 1 210 . 1 . 1 54 54 ALA C C 13 177.593 0.000 . 1 . . . . . 383 ALA C . 53101 1 211 . 1 . 1 54 54 ALA CA C 13 52.593 0.000 . 1 . . . . . 383 ALA CA . 53101 1 212 . 1 . 1 54 54 ALA CB C 13 19.169 0.000 . 1 . . . . . 383 ALA CB . 53101 1 213 . 1 . 1 54 54 ALA N N 15 124.961 0.025 . 1 . . . . . 383 ALA N . 53101 1 214 . 1 . 1 55 55 ARG H H 1 8.507 0.001 . 1 . . . . . 384 ARG H . 53101 1 215 . 1 . 1 55 55 ARG C C 13 176.325 0.000 . 1 . . . . . 384 ARG C . 53101 1 216 . 1 . 1 55 55 ARG CA C 13 56.174 0.000 . 1 . . . . . 384 ARG CA . 53101 1 217 . 1 . 1 55 55 ARG CB C 13 30.623 0.000 . 1 . . . . . 384 ARG CB . 53101 1 218 . 1 . 1 55 55 ARG N N 15 120.860 0.010 . 1 . . . . . 384 ARG N . 53101 1 219 . 1 . 1 56 56 ILE H H 1 8.261 0.002 . 1 . . . . . 385 ILE H . 53101 1 220 . 1 . 1 56 56 ILE C C 13 175.956 0.000 . 1 . . . . . 385 ILE C . 53101 1 221 . 1 . 1 56 56 ILE CA C 13 61.145 0.000 . 1 . . . . . 385 ILE CA . 53101 1 222 . 1 . 1 56 56 ILE CB C 13 38.784 0.000 . 1 . . . . . 385 ILE CB . 53101 1 223 . 1 . 1 56 56 ILE N N 15 122.686 0.012 . 1 . . . . . 385 ILE N . 53101 1 224 . 1 . 1 57 57 LYS H H 1 8.491 0.001 . 1 . . . . . 386 LYS H . 53101 1 225 . 1 . 1 57 57 LYS C C 13 176.057 0.000 . 1 . . . . . 386 LYS C . 53101 1 226 . 1 . 1 57 57 LYS CA C 13 56.193 0.000 . 1 . . . . . 386 LYS CA . 53101 1 227 . 1 . 1 57 57 LYS CB C 13 33.038 0.000 . 1 . . . . . 386 LYS CB . 53101 1 228 . 1 . 1 57 57 LYS N N 15 126.311 0.001 . 1 . . . . . 386 LYS N . 53101 1 229 . 1 . 1 58 58 LEU H H 1 8.426 0.001 . 1 . . . . . 387 LEU H . 53101 1 230 . 1 . 1 58 58 LEU C C 13 177.164 0.000 . 1 . . . . . 387 LEU C . 53101 1 231 . 1 . 1 58 58 LEU CA C 13 54.901 0.000 . 1 . . . . . 387 LEU CA . 53101 1 232 . 1 . 1 58 58 LEU CB C 13 42.356 0.000 . 1 . . . . . 387 LEU CB . 53101 1 233 . 1 . 1 58 58 LEU N N 15 125.113 0.036 . 1 . . . . . 387 LEU N . 53101 1 234 . 1 . 1 59 59 GLU H H 1 8.545 0.001 . 1 . . . . . 388 GLU H . 53101 1 235 . 1 . 1 59 59 GLU C C 13 175.804 0.000 . 1 . . . . . 388 GLU C . 53101 1 236 . 1 . 1 59 59 GLU CA C 13 56.494 0.000 . 1 . . . . . 388 GLU CA . 53101 1 237 . 1 . 1 59 59 GLU CB C 13 30.397 0.000 . 1 . . . . . 388 GLU CB . 53101 1 238 . 1 . 1 59 59 GLU N N 15 122.095 0.013 . 1 . . . . . 388 GLU N . 53101 1 239 . 1 . 1 60 60 ASN H H 1 8.608 0.001 . 1 . . . . . 389 ASN H . 53101 1 240 . 1 . 1 60 60 ASN C C 13 173.503 0.000 . 1 . . . . . 389 ASN C . 53101 1 241 . 1 . 1 60 60 ASN CA C 13 50.965 0.000 . 1 . . . . . 389 ASN CA . 53101 1 242 . 1 . 1 60 60 ASN N N 15 120.497 0.014 . 1 . . . . . 389 ASN N . 53101 1 243 . 1 . 1 61 61 PRO C C 13 177.240 0.000 . 1 . . . . . 390 PRO C . 53101 1 244 . 1 . 1 61 61 PRO CA C 13 63.608 0.000 . 1 . . . . . 390 PRO CA . 53101 1 245 . 1 . 1 61 61 PRO CB C 13 32.207 0.000 . 1 . . . . . 390 PRO CB . 53101 1 246 . 1 . 1 62 62 LEU H H 1 8.217 0.001 . 1 . . . . . 391 LEU H . 53101 1 247 . 1 . 1 62 62 LEU C C 13 177.235 0.000 . 1 . . . . . 391 LEU C . 53101 1 248 . 1 . 1 62 62 LEU CA C 13 55.363 0.000 . 1 . . . . . 391 LEU CA . 53101 1 249 . 1 . 1 62 62 LEU CB C 13 41.679 0.000 . 1 . . . . . 391 LEU CB . 53101 1 250 . 1 . 1 62 62 LEU N N 15 120.023 0.005 . 1 . . . . . 391 LEU N . 53101 1 251 . 1 . 1 63 63 ASP H H 1 8.053 0.001 . 1 . . . . . 392 ASP H . 53101 1 252 . 1 . 1 63 63 ASP C C 13 176.180 0.000 . 1 . . . . . 392 ASP C . 53101 1 253 . 1 . 1 63 63 ASP CA C 13 54.087 0.000 . 1 . . . . . 392 ASP CA . 53101 1 254 . 1 . 1 63 63 ASP CB C 13 41.004 0.000 . 1 . . . . . 392 ASP CB . 53101 1 255 . 1 . 1 63 63 ASP N N 15 119.885 0.009 . 1 . . . . . 392 ASP N . 53101 1 256 . 1 . 1 64 64 TYR H H 1 8.106 0.001 . 1 . . . . . 393 TYR H . 53101 1 257 . 1 . 1 64 64 TYR C C 13 176.716 0.000 . 1 . . . . . 393 TYR C . 53101 1 258 . 1 . 1 64 64 TYR CA C 13 58.580 0.000 . 1 . . . . . 393 TYR CA . 53101 1 259 . 1 . 1 64 64 TYR CB C 13 38.511 0.000 . 1 . . . . . 393 TYR CB . 53101 1 260 . 1 . 1 64 64 TYR N N 15 121.280 0.012 . 1 . . . . . 393 TYR N . 53101 1 261 . 1 . 1 65 65 GLY H H 1 8.402 0.001 . 1 . . . . . 394 GLY H . 53101 1 262 . 1 . 1 65 65 GLY C C 13 174.439 0.000 . 1 . . . . . 394 GLY C . 53101 1 263 . 1 . 1 65 65 GLY CA C 13 45.492 0.000 . 1 . . . . . 394 GLY CA . 53101 1 264 . 1 . 1 65 65 GLY N N 15 110.046 0.002 . 1 . . . . . 394 GLY N . 53101 1 265 . 1 . 1 66 66 SER H H 1 8.139 0.000 . 1 . . . . . 395 SER H . 53101 1 266 . 1 . 1 66 66 SER C C 13 174.145 0.000 . 1 . . . . . 395 SER C . 53101 1 267 . 1 . 1 66 66 SER CA C 13 58.535 0.000 . 1 . . . . . 395 SER CA . 53101 1 268 . 1 . 1 66 66 SER CB C 13 63.863 0.000 . 1 . . . . . 395 SER CB . 53101 1 269 . 1 . 1 66 66 SER N N 15 115.706 0.005 . 1 . . . . . 395 SER N . 53101 1 270 . 1 . 1 67 67 ALA H H 1 8.268 0.002 . 1 . . . . . 396 ALA H . 53101 1 271 . 1 . 1 67 67 ALA C C 13 177.047 0.000 . 1 . . . . . 396 ALA C . 53101 1 272 . 1 . 1 67 67 ALA CA C 13 52.346 0.014 . 1 . . . . . 396 ALA CA . 53101 1 273 . 1 . 1 67 67 ALA CB C 13 19.156 0.000 . 1 . . . . . 396 ALA CB . 53101 1 274 . 1 . 1 67 67 ALA N N 15 125.113 0.007 . 1 . . . . . 396 ALA N . 53101 1 275 . 1 . 1 68 68 TRP H H 1 8.170 0.001 . 1 . . . . . 397 TRP H . 53101 1 276 . 1 . 1 68 68 TRP C C 13 174.336 0.000 . 1 . . . . . 397 TRP C . 53101 1 277 . 1 . 1 68 68 TRP CA C 13 55.073 0.000 . 1 . . . . . 397 TRP CA . 53101 1 278 . 1 . 1 68 68 TRP N N 15 121.627 0.010 . 1 . . . . . 397 TRP N . 53101 1 279 . 1 . 1 69 69 PRO C C 13 176.872 0.000 . 1 . . . . . 398 PRO C . 53101 1 280 . 1 . 1 69 69 PRO CA C 13 63.345 0.000 . 1 . . . . . 398 PRO CA . 53101 1 281 . 1 . 1 69 69 PRO CB C 13 31.844 0.000 . 1 . . . . . 398 PRO CB . 53101 1 282 . 1 . 1 70 70 ALA H H 1 8.378 0.002 . 1 . . . . . 399 ALA H . 53101 1 283 . 1 . 1 70 70 ALA C C 13 178.027 0.008 . 1 . . . . . 399 ALA C . 53101 1 284 . 1 . 1 70 70 ALA CA C 13 52.834 0.000 . 1 . . . . . 399 ALA CA . 53101 1 285 . 1 . 1 70 70 ALA CB C 13 18.991 0.000 . 1 . . . . . 399 ALA CB . 53101 1 286 . 1 . 1 70 70 ALA N N 15 124.127 0.012 . 1 . . . . . 399 ALA N . 53101 1 287 . 1 . 1 71 71 ALA H H 1 8.327 0.004 . 1 . . . . . 400 ALA H . 53101 1 288 . 1 . 1 71 71 ALA C C 13 177.954 0.000 . 1 . . . . . 400 ALA C . 53101 1 289 . 1 . 1 71 71 ALA CA C 13 52.717 0.050 . 1 . . . . . 400 ALA CA . 53101 1 290 . 1 . 1 71 71 ALA CB C 13 19.073 0.000 . 1 . . . . . 400 ALA CB . 53101 1 291 . 1 . 1 71 71 ALA N N 15 118.844 0.000 . 1 . . . . . 400 ALA N . 53101 1 292 . 1 . 1 72 72 ALA H H 1 8.269 0.001 . 1 . . . . . 401 ALA H . 53101 1 293 . 1 . 1 72 72 ALA CA C 13 52.732 0.000 . 1 . . . . . 401 ALA CA . 53101 1 294 . 1 . 1 72 72 ALA N N 15 122.860 0.006 . 1 . . . . . 401 ALA N . 53101 1 295 . 1 . 1 73 73 ALA C C 13 178.026 0.000 . 1 . . . . . 402 ALA C . 53101 1 296 . 1 . 1 73 73 ALA CB C 13 19.051 0.000 . 1 . . . . . 402 ALA CB . 53101 1 297 . 1 . 1 74 74 GLN H H 1 8.321 0.002 . 1 . . . . . 403 GLN H . 53101 1 298 . 1 . 1 74 74 GLN CA C 13 56.046 0.000 . 1 . . . . . 403 GLN CA . 53101 1 299 . 1 . 1 74 74 GLN N N 15 118.886 0.019 . 1 . . . . . 403 GLN N . 53101 1 300 . 1 . 1 77 77 TYR C C 13 176.505 0.000 . 1 . . . . . 406 TYR C . 53101 1 301 . 1 . 1 77 77 TYR CA C 13 58.272 0.016 . 1 . . . . . 406 TYR CA . 53101 1 302 . 1 . 1 77 77 TYR CB C 13 38.603 0.000 . 1 . . . . . 406 TYR CB . 53101 1 303 . 1 . 1 78 78 GLY H H 1 8.396 0.003 . 1 . . . . . 407 GLY H . 53101 1 304 . 1 . 1 78 78 GLY C C 13 173.872 0.000 . 1 . . . . . 407 GLY C . 53101 1 305 . 1 . 1 78 78 GLY CA C 13 45.276 0.001 . 1 . . . . . 407 GLY CA . 53101 1 306 . 1 . 1 78 78 GLY N N 15 110.450 0.012 . 1 . . . . . 407 GLY N . 53101 1 307 . 1 . 1 79 79 ASP H H 1 8.250 0.001 . 1 . . . . . 408 ASP H . 53101 1 308 . 1 . 1 79 79 ASP C C 13 176.789 0.000 . 1 . . . . . 408 ASP C . 53101 1 309 . 1 . 1 79 79 ASP CA C 13 54.372 0.000 . 1 . . . . . 408 ASP CA . 53101 1 310 . 1 . 1 79 79 ASP CB C 13 41.046 0.000 . 1 . . . . . 408 ASP CB . 53101 1 311 . 1 . 1 79 79 ASP N N 15 120.568 0.003 . 1 . . . . . 408 ASP N . 53101 1 312 . 1 . 1 80 80 LEU H H 1 8.334 0.002 . 1 . . . . . 409 LEU H . 53101 1 313 . 1 . 1 80 80 LEU C C 13 177.909 0.000 . 1 . . . . . 409 LEU C . 53101 1 314 . 1 . 1 80 80 LEU CA C 13 55.967 0.000 . 1 . . . . . 409 LEU CA . 53101 1 315 . 1 . 1 80 80 LEU CB C 13 41.981 0.000 . 1 . . . . . 409 LEU CB . 53101 1 316 . 1 . 1 80 80 LEU N N 15 122.766 0.008 . 1 . . . . . 409 LEU N . 53101 1 317 . 1 . 1 81 81 ALA H H 1 8.318 0.001 . 1 . . . . . 410 ALA H . 53101 1 318 . 1 . 1 81 81 ALA C C 13 178.531 0.000 . 1 . . . . . 410 ALA C . 53101 1 319 . 1 . 1 81 81 ALA CA C 13 53.387 0.000 . 1 . . . . . 410 ALA CA . 53101 1 320 . 1 . 1 81 81 ALA CB C 13 18.718 0.000 . 1 . . . . . 410 ALA CB . 53101 1 321 . 1 . 1 81 81 ALA N N 15 123.332 0.008 . 1 . . . . . 410 ALA N . 53101 1 322 . 1 . 1 82 82 SER H H 1 8.119 0.001 . 1 . . . . . 411 SER H . 53101 1 323 . 1 . 1 82 82 SER C C 13 174.997 0.000 . 1 . . . . . 411 SER C . 53101 1 324 . 1 . 1 82 82 SER CA C 13 58.821 0.000 . 1 . . . . . 411 SER CA . 53101 1 325 . 1 . 1 82 82 SER CB C 13 63.466 0.000 . 1 . . . . . 411 SER CB . 53101 1 326 . 1 . 1 82 82 SER N N 15 113.955 0.007 . 1 . . . . . 411 SER N . 53101 1 327 . 1 . 1 83 83 LEU H H 1 8.092 0.002 . 1 . . . . . 412 LEU H . 53101 1 328 . 1 . 1 83 83 LEU C C 13 177.525 0.000 . 1 . . . . . 412 LEU C . 53101 1 329 . 1 . 1 83 83 LEU CA C 13 55.692 0.000 . 1 . . . . . 412 LEU CA . 53101 1 330 . 1 . 1 83 83 LEU CB C 13 41.964 0.000 . 1 . . . . . 412 LEU CB . 53101 1 331 . 1 . 1 83 83 LEU N N 15 123.431 0.005 . 1 . . . . . 412 LEU N . 53101 1 332 . 1 . 1 84 84 HIS H H 1 8.222 0.001 . 1 . . . . . 413 HIS H . 53101 1 333 . 1 . 1 84 84 HIS C C 13 176.057 0.000 . 1 . . . . . 413 HIS C . 53101 1 334 . 1 . 1 84 84 HIS CA C 13 56.383 0.000 . 1 . . . . . 413 HIS CA . 53101 1 335 . 1 . 1 84 84 HIS CB C 13 30.546 0.000 . 1 . . . . . 413 HIS CB . 53101 1 336 . 1 . 1 84 84 HIS N N 15 118.842 0.009 . 1 . . . . . 413 HIS N . 53101 1 337 . 1 . 1 85 85 GLY H H 1 8.335 0.002 . 1 . . . . . 414 GLY H . 53101 1 338 . 1 . 1 85 85 GLY C C 13 174.094 0.000 . 1 . . . . . 414 GLY C . 53101 1 339 . 1 . 1 85 85 GLY CA C 13 45.321 0.000 . 1 . . . . . 414 GLY CA . 53101 1 340 . 1 . 1 85 85 GLY N N 15 109.907 0.013 . 1 . . . . . 414 GLY N . 53101 1 341 . 1 . 1 86 86 ALA H H 1 8.339 0.001 . 1 . . . . . 415 ALA H . 53101 1 342 . 1 . 1 86 86 ALA C C 13 178.424 0.000 . 1 . . . . . 415 ALA C . 53101 1 343 . 1 . 1 86 86 ALA CA C 13 52.802 0.000 . 1 . . . . . 415 ALA CA . 53101 1 344 . 1 . 1 86 86 ALA CB C 13 19.159 0.000 . 1 . . . . . 415 ALA CB . 53101 1 345 . 1 . 1 86 86 ALA N N 15 123.906 0.001 . 1 . . . . . 415 ALA N . 53101 1 346 . 1 . 1 87 87 GLY H H 1 8.492 0.002 . 1 . . . . . 416 GLY H . 53101 1 347 . 1 . 1 87 87 GLY C C 13 174.023 0.000 . 1 . . . . . 416 GLY C . 53101 1 348 . 1 . 1 87 87 GLY CA C 13 45.199 0.000 . 1 . . . . . 416 GLY CA . 53101 1 349 . 1 . 1 87 87 GLY N N 15 108.289 0.003 . 1 . . . . . 416 GLY N . 53101 1 350 . 1 . 1 88 88 ALA H H 1 8.193 0.004 . 1 . . . . . 417 ALA H . 53101 1 351 . 1 . 1 88 88 ALA C C 13 177.499 0.000 . 1 . . . . . 417 ALA C . 53101 1 352 . 1 . 1 88 88 ALA CA C 13 52.607 0.000 . 1 . . . . . 417 ALA CA . 53101 1 353 . 1 . 1 88 88 ALA CB C 13 19.238 0.000 . 1 . . . . . 417 ALA CB . 53101 1 354 . 1 . 1 88 88 ALA N N 15 123.828 0.001 . 1 . . . . . 417 ALA N . 53101 1 355 . 1 . 1 89 89 ALA H H 1 8.379 0.001 . 1 . . . . . 418 ALA H . 53101 1 356 . 1 . 1 89 89 ALA C C 13 177.878 0.024 . 1 . . . . . 418 ALA C . 53101 1 357 . 1 . 1 89 89 ALA CA C 13 52.382 0.000 . 1 . . . . . 418 ALA CA . 53101 1 358 . 1 . 1 89 89 ALA CB C 13 19.383 0.000 . 1 . . . . . 418 ALA CB . 53101 1 359 . 1 . 1 89 89 ALA N N 15 123.134 0.003 . 1 . . . . . 418 ALA N . 53101 1 360 . 1 . 1 90 90 GLY H H 1 8.209 0.014 . 1 . . . . . 419 GLY H . 53101 1 361 . 1 . 1 90 90 GLY C C 13 180.032 0.000 . 1 . . . . . 419 GLY C . 53101 1 362 . 1 . 1 90 90 GLY CA C 13 44.513 0.000 . 1 . . . . . 419 GLY CA . 53101 1 363 . 1 . 1 90 90 GLY N N 15 108.073 0.034 . 1 . . . . . 419 GLY N . 53101 1 364 . 1 . 1 91 91 PRO C C 13 177.869 0.000 . 1 . . . . . 420 PRO C . 53101 1 365 . 1 . 1 91 91 PRO CA C 13 63.566 0.000 . 1 . . . . . 420 PRO CA . 53101 1 366 . 1 . 1 91 91 PRO CB C 13 32.057 0.000 . 1 . . . . . 420 PRO CB . 53101 1 367 . 1 . 1 92 92 GLY H H 1 8.699 0.001 . 1 . . . . . 421 GLY H . 53101 1 368 . 1 . 1 92 92 GLY C C 13 174.462 0.000 . 1 . . . . . 421 GLY C . 53101 1 369 . 1 . 1 92 92 GLY CA C 13 45.267 0.000 . 1 . . . . . 421 GLY CA . 53101 1 370 . 1 . 1 92 92 GLY N N 15 110.146 0.013 . 1 . . . . . 421 GLY N . 53101 1 371 . 1 . 1 93 93 SER H H 1 8.301 0.004 . 1 . . . . . 422 SER H . 53101 1 372 . 1 . 1 93 93 SER C C 13 175.154 0.000 . 1 . . . . . 422 SER C . 53101 1 373 . 1 . 1 93 93 SER CA C 13 58.707 0.000 . 1 . . . . . 422 SER CA . 53101 1 374 . 1 . 1 93 93 SER CB C 13 64.027 0.000 . 1 . . . . . 422 SER CB . 53101 1 375 . 1 . 1 93 93 SER N N 15 115.635 0.002 . 1 . . . . . 422 SER N . 53101 1 376 . 1 . 1 94 94 GLY H H 1 8.596 0.001 . 1 . . . . . 423 GLY H . 53101 1 377 . 1 . 1 94 94 GLY C C 13 173.829 0.000 . 1 . . . . . 423 GLY C . 53101 1 378 . 1 . 1 94 94 GLY CA C 13 45.067 0.000 . 1 . . . . . 423 GLY CA . 53101 1 379 . 1 . 1 94 94 GLY N N 15 110.931 0.005 . 1 . . . . . 423 GLY N . 53101 1 380 . 1 . 1 95 95 SER H H 1 8.279 0.000 . 1 . . . . . 424 SER H . 53101 1 381 . 1 . 1 95 95 SER CA C 13 56.443 0.000 . 1 . . . . . 424 SER CA . 53101 1 382 . 1 . 1 95 95 SER N N 15 116.917 0.006 . 1 . . . . . 424 SER N . 53101 1 383 . 1 . 1 96 96 PRO C C 13 177.181 0.000 . 1 . . . . . 425 PRO C . 53101 1 384 . 1 . 1 96 96 PRO CA C 13 63.511 0.000 . 1 . . . . . 425 PRO CA . 53101 1 385 . 1 . 1 96 96 PRO CB C 13 32.076 0.000 . 1 . . . . . 425 PRO CB . 53101 1 386 . 1 . 1 97 97 SER H H 1 8.452 0.001 . 1 . . . . . 426 SER H . 53101 1 387 . 1 . 1 97 97 SER C C 13 174.568 0.000 . 1 . . . . . 426 SER C . 53101 1 388 . 1 . 1 97 97 SER CA C 13 58.380 0.000 . 1 . . . . . 426 SER CA . 53101 1 389 . 1 . 1 97 97 SER CB C 13 63.707 0.000 . 1 . . . . . 426 SER CB . 53101 1 390 . 1 . 1 97 97 SER N N 15 115.969 0.010 . 1 . . . . . 426 SER N . 53101 1 391 . 1 . 1 98 98 ALA H H 1 8.414 0.002 . 1 . . . . . 427 ALA H . 53101 1 392 . 1 . 1 98 98 ALA C C 13 177.770 0.000 . 1 . . . . . 427 ALA C . 53101 1 393 . 1 . 1 98 98 ALA CA C 13 52.757 0.000 . 1 . . . . . 427 ALA CA . 53101 1 394 . 1 . 1 98 98 ALA CB C 13 19.097 0.000 . 1 . . . . . 427 ALA CB . 53101 1 395 . 1 . 1 98 98 ALA N N 15 126.366 0.026 . 1 . . . . . 427 ALA N . 53101 1 396 . 1 . 1 99 99 ALA H H 1 8.293 0.002 . 1 . . . . . 428 ALA H . 53101 1 397 . 1 . 1 99 99 ALA C C 13 177.905 0.000 . 1 . . . . . 428 ALA C . 53101 1 398 . 1 . 1 99 99 ALA CB C 13 19.017 0.000 . 1 . . . . . 428 ALA CB . 53101 1 399 . 1 . 1 99 99 ALA N N 15 123.019 0.012 . 1 . . . . . 428 ALA N . 53101 1 400 . 1 . 1 100 100 ALA H H 1 8.313 0.002 . 1 . . . . . 429 ALA H . 53101 1 401 . 1 . 1 100 100 ALA C C 13 178.131 0.000 . 1 . . . . . 429 ALA C . 53101 1 402 . 1 . 1 100 100 ALA CA C 13 52.727 0.018 . 1 . . . . . 429 ALA CA . 53101 1 403 . 1 . 1 100 100 ALA CB C 13 19.028 0.000 . 1 . . . . . 429 ALA CB . 53101 1 404 . 1 . 1 100 100 ALA N N 15 123.212 0.024 . 1 . . . . . 429 ALA N . 53101 1 405 . 1 . 1 101 101 SER H H 1 8.287 0.002 . 1 . . . . . 430 SER H . 53101 1 406 . 1 . 1 101 101 SER C C 13 174.929 0.000 . 1 . . . . . 430 SER C . 53101 1 407 . 1 . 1 101 101 SER CA C 13 58.512 0.000 . 1 . . . . . 430 SER CA . 53101 1 408 . 1 . 1 101 101 SER CB C 13 63.836 0.000 . 1 . . . . . 430 SER CB . 53101 1 409 . 1 . 1 101 101 SER N N 15 114.814 0.014 . 1 . . . . . 430 SER N . 53101 1 410 . 1 . 1 102 102 SER H H 1 8.387 0.003 . 1 . . . . . 431 SER H . 53101 1 411 . 1 . 1 102 102 SER C C 13 174.766 0.000 . 1 . . . . . 431 SER C . 53101 1 412 . 1 . 1 102 102 SER CA C 13 58.595 0.000 . 1 . . . . . 431 SER CA . 53101 1 413 . 1 . 1 102 102 SER N N 15 117.784 0.012 . 1 . . . . . 431 SER N . 53101 1 414 . 1 . 1 103 103 SER H H 1 8.351 0.002 . 1 . . . . . 432 SER H . 53101 1 415 . 1 . 1 103 103 SER C C 13 174.447 0.000 . 1 . . . . . 432 SER C . 53101 1 416 . 1 . 1 103 103 SER CA C 13 58.680 0.000 . 1 . . . . . 432 SER CA . 53101 1 417 . 1 . 1 103 103 SER CB C 13 63.689 0.000 . 1 . . . . . 432 SER CB . 53101 1 418 . 1 . 1 103 103 SER N N 15 117.499 0.008 . 1 . . . . . 432 SER N . 53101 1 419 . 1 . 1 104 104 TRP H H 1 8.079 0.002 . 1 . . . . . 433 TRP H . 53101 1 420 . 1 . 1 104 104 TRP C C 13 176.117 0.000 . 1 . . . . . 433 TRP C . 53101 1 421 . 1 . 1 104 104 TRP CA C 13 57.782 0.000 . 1 . . . . . 433 TRP CA . 53101 1 422 . 1 . 1 104 104 TRP N N 15 122.668 0.011 . 1 . . . . . 433 TRP N . 53101 1 423 . 1 . 1 105 105 HIS H H 1 7.940 0.001 . 1 . . . . . 434 HIS H . 53101 1 424 . 1 . 1 105 105 HIS C C 13 175.314 0.000 . 1 . . . . . 434 HIS C . 53101 1 425 . 1 . 1 105 105 HIS CA C 13 56.610 0.000 . 1 . . . . . 434 HIS CA . 53101 1 426 . 1 . 1 105 105 HIS CB C 13 30.673 0.000 . 1 . . . . . 434 HIS CB . 53101 1 427 . 1 . 1 105 105 HIS N N 15 119.986 0.005 . 1 . . . . . 434 HIS N . 53101 1 428 . 1 . 1 106 106 THR H H 1 7.978 0.001 . 1 . . . . . 435 THR H . 53101 1 429 . 1 . 1 106 106 THR C C 13 174.232 0.000 . 1 . . . . . 435 THR C . 53101 1 430 . 1 . 1 106 106 THR CA C 13 62.249 0.000 . 1 . . . . . 435 THR CA . 53101 1 431 . 1 . 1 106 106 THR N N 15 115.110 0.012 . 1 . . . . . 435 THR N . 53101 1 432 . 1 . 1 107 107 LEU C C 13 176.922 0.000 . 1 . . . . . 436 LEU C . 53101 1 433 . 1 . 1 107 107 LEU CA C 13 55.301 0.000 . 1 . . . . . 436 LEU CA . 53101 1 434 . 1 . 1 107 107 LEU CB C 13 42.336 0.000 . 1 . . . . . 436 LEU CB . 53101 1 435 . 1 . 1 108 108 PHE H H 1 8.244 0.001 . 1 . . . . . 437 PHE H . 53101 1 436 . 1 . 1 108 108 PHE C C 13 175.797 0.000 . 1 . . . . . 437 PHE C . 53101 1 437 . 1 . 1 108 108 PHE CA C 13 57.635 0.000 . 1 . . . . . 437 PHE CA . 53101 1 438 . 1 . 1 108 108 PHE CB C 13 39.660 0.000 . 1 . . . . . 437 PHE CB . 53101 1 439 . 1 . 1 108 108 PHE N N 15 120.947 0.011 . 1 . . . . . 437 PHE N . 53101 1 440 . 1 . 1 109 109 THR H H 1 8.174 0.002 . 1 . . . . . 438 THR H . 53101 1 441 . 1 . 1 109 109 THR C C 13 174.000 0.000 . 1 . . . . . 438 THR C . 53101 1 442 . 1 . 1 109 109 THR CA C 13 61.460 0.000 . 1 . . . . . 438 THR CA . 53101 1 443 . 1 . 1 109 109 THR CB C 13 70.233 0.000 . 1 . . . . . 438 THR CB . 53101 1 444 . 1 . 1 109 109 THR N N 15 116.305 0.006 . 1 . . . . . 438 THR N . 53101 1 445 . 1 . 1 110 110 ALA H H 1 8.436 0.002 . 1 . . . . . 439 ALA H . 53101 1 446 . 1 . 1 110 110 ALA C C 13 178.020 0.000 . 1 . . . . . 439 ALA C . 53101 1 447 . 1 . 1 110 110 ALA CA C 13 52.830 0.000 . 1 . . . . . 439 ALA CA . 53101 1 448 . 1 . 1 110 110 ALA CB C 13 19.130 0.000 . 1 . . . . . 439 ALA CB . 53101 1 449 . 1 . 1 110 110 ALA N N 15 126.411 0.005 . 1 . . . . . 439 ALA N . 53101 1 450 . 1 . 1 111 111 GLU H H 1 8.494 0.001 . 1 . . . . . 440 GLU H . 53101 1 451 . 1 . 1 111 111 GLU C C 13 176.943 0.000 . 1 . . . . . 440 GLU C . 53101 1 452 . 1 . 1 111 111 GLU CA C 13 56.913 0.000 . 1 . . . . . 440 GLU CA . 53101 1 453 . 1 . 1 111 111 GLU CB C 13 30.226 0.000 . 1 . . . . . 440 GLU CB . 53101 1 454 . 1 . 1 111 111 GLU N N 15 120.106 0.005 . 1 . . . . . 440 GLU N . 53101 1 455 . 1 . 1 112 112 GLU H H 1 8.500 0.001 . 1 . . . . . 441 GLU H . 53101 1 456 . 1 . 1 112 112 GLU C C 13 177.308 0.000 . 1 . . . . . 441 GLU C . 53101 1 457 . 1 . 1 112 112 GLU CA C 13 57.174 0.000 . 1 . . . . . 441 GLU CA . 53101 1 458 . 1 . 1 112 112 GLU CB C 13 30.082 0.000 . 1 . . . . . 441 GLU CB . 53101 1 459 . 1 . 1 112 112 GLU N N 15 122.014 0.008 . 1 . . . . . 441 GLU N . 53101 1 460 . 1 . 1 113 113 GLY H H 1 8.541 0.001 . 1 . . . . . 442 GLY H . 53101 1 461 . 1 . 1 113 113 GLY C C 13 174.168 0.000 . 1 . . . . . 442 GLY C . 53101 1 462 . 1 . 1 113 113 GLY CA C 13 45.444 0.000 . 1 . . . . . 442 GLY CA . 53101 1 463 . 1 . 1 113 113 GLY N N 15 109.864 0.004 . 1 . . . . . 442 GLY N . 53101 1 464 . 1 . 1 114 114 GLN H H 1 8.147 0.000 . 1 . . . . . 443 GLN H . 53101 1 465 . 1 . 1 114 114 GLN C C 13 175.822 0.000 . 1 . . . . . 443 GLN C . 53101 1 466 . 1 . 1 114 114 GLN CA C 13 55.710 0.000 . 1 . . . . . 443 GLN CA . 53101 1 467 . 1 . 1 114 114 GLN CB C 13 29.364 0.000 . 1 . . . . . 443 GLN CB . 53101 1 468 . 1 . 1 114 114 GLN N N 15 119.634 0.002 . 1 . . . . . 443 GLN N . 53101 1 469 . 1 . 1 115 115 LEU H H 1 8.270 0.002 . 1 . . . . . 444 LEU H . 53101 1 470 . 1 . 1 115 115 LEU C C 13 177.020 0.000 . 1 . . . . . 444 LEU C . 53101 1 471 . 1 . 1 115 115 LEU CA C 13 55.269 0.000 . 1 . . . . . 444 LEU CA . 53101 1 472 . 1 . 1 115 115 LEU CB C 13 42.492 0.000 . 1 . . . . . 444 LEU CB . 53101 1 473 . 1 . 1 115 115 LEU N N 15 123.241 0.019 . 1 . . . . . 444 LEU N . 53101 1 474 . 1 . 1 116 116 TYR H H 1 8.292 0.001 . 1 . . . . . 445 TYR H . 53101 1 475 . 1 . 1 116 116 TYR C C 13 175.904 0.000 . 1 . . . . . 445 TYR C . 53101 1 476 . 1 . 1 116 116 TYR CA C 13 57.451 0.000 . 1 . . . . . 445 TYR CA . 53101 1 477 . 1 . 1 116 116 TYR CB C 13 38.985 0.000 . 1 . . . . . 445 TYR CB . 53101 1 478 . 1 . 1 116 116 TYR N N 15 120.211 0.009 . 1 . . . . . 445 TYR N . 53101 1 479 . 1 . 1 117 117 GLY H H 1 8.185 0.001 . 1 . . . . . 446 GLY H . 53101 1 480 . 1 . 1 117 117 GLY C C 13 179.347 0.000 . 1 . . . . . 446 GLY C . 53101 1 481 . 1 . 1 117 117 GLY CA C 13 44.517 0.000 . 1 . . . . . 446 GLY CA . 53101 1 482 . 1 . 1 117 117 GLY N N 15 110.282 0.002 . 1 . . . . . 446 GLY N . 53101 1 483 . 1 . 1 118 118 PRO C C 13 176.443 0.000 . 1 . . . . . 447 PRO C . 53101 1 484 . 1 . 1 118 118 PRO CA C 13 63.312 0.000 . 1 . . . . . 447 PRO CA . 53101 1 485 . 1 . 1 118 118 PRO CB C 13 32.079 0.002 . 1 . . . . . 447 PRO CB . 53101 1 486 . 1 . 1 119 119 CYS H H 1 8.191 0.001 . 1 . . . . . 448 CYS H . 53101 1 487 . 1 . 1 119 119 CYS C C 13 178.802 0.000 . 1 . . . . . 448 CYS C . 53101 1 488 . 1 . 1 119 119 CYS CA C 13 59.485 0.000 . 1 . . . . . 448 CYS CA . 53101 1 489 . 1 . 1 119 119 CYS N N 15 123.868 0.016 . 1 . . . . . 448 CYS N . 53101 1 stop_ save_