################################### # 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 53114 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Tau-5* C404S C448-IAM' _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' . . . 53114 1 2 '3D HNCO' . . . 53114 1 3 '3D HNCA' . . . 53114 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 . . 53114 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 8.693 0.000 . 1 . . . . . 330 ALA H . 53114 1 2 . 1 . 1 1 1 ALA C C 13 177.762 0.000 . 1 . . . . . 330 ALA C . 53114 1 3 . 1 . 1 1 1 ALA CA C 13 52.355 0.000 . 1 . . . . . 330 ALA CA . 53114 1 4 . 1 . 1 1 1 ALA N N 15 125.224 0.001 . 1 . . . . . 330 ALA N . 53114 1 5 . 1 . 1 2 2 ALA H H 1 8.587 0.001 . 1 . . . . . 331 ALA H . 53114 1 6 . 1 . 1 2 2 ALA C C 13 178.506 0.000 . 1 . . . . . 331 ALA C . 53114 1 7 . 1 . 1 2 2 ALA CA C 13 52.674 0.000 . 1 . . . . . 331 ALA CA . 53114 1 8 . 1 . 1 2 2 ALA N N 15 124.297 0.011 . 1 . . . . . 331 ALA N . 53114 1 9 . 1 . 1 3 3 GLY H H 1 8.567 0.002 . 1 . . . . . 332 GLY H . 53114 1 10 . 1 . 1 3 3 GLY C C 13 174.423 0.000 . 1 . . . . . 332 GLY C . 53114 1 11 . 1 . 1 3 3 GLY CA C 13 45.199 0.000 . 1 . . . . . 332 GLY CA . 53114 1 12 . 1 . 1 3 3 GLY N N 15 108.936 0.004 . 1 . . . . . 332 GLY N . 53114 1 13 . 1 . 1 4 4 SER H H 1 8.352 0.003 . 1 . . . . . 333 SER H . 53114 1 14 . 1 . 1 4 4 SER CA C 13 58.372 0.000 . 1 . . . . . 333 SER CA . 53114 1 15 . 1 . 1 4 4 SER N N 15 115.718 0.009 . 1 . . . . . 333 SER N . 53114 1 16 . 1 . 1 5 5 SER H H 1 8.632 0.002 . 1 . . . . . 334 SER H . 53114 1 17 . 1 . 1 5 5 SER C C 13 175.109 0.000 . 1 . . . . . 334 SER C . 53114 1 18 . 1 . 1 5 5 SER CA C 13 58.644 0.000 . 1 . . . . . 334 SER CA . 53114 1 19 . 1 . 1 5 5 SER N N 15 118.033 0.023 . 1 . . . . . 334 SER N . 53114 1 20 . 1 . 1 6 6 GLY H H 1 8.550 0.001 . 1 . . . . . 335 GLY H . 53114 1 21 . 1 . 1 6 6 GLY C C 13 174.238 0.000 . 1 . . . . . 335 GLY C . 53114 1 22 . 1 . 1 6 6 GLY CA C 13 45.308 0.000 . 1 . . . . . 335 GLY CA . 53114 1 23 . 1 . 1 6 6 GLY N N 15 111.009 0.006 . 1 . . . . . 335 GLY N . 53114 1 24 . 1 . 1 7 7 THR H H 1 8.169 0.001 . 1 . . . . . 336 THR H . 53114 1 25 . 1 . 1 7 7 THR C C 13 174.444 0.000 . 1 . . . . . 336 THR C . 53114 1 26 . 1 . 1 7 7 THR CA C 13 61.845 0.000 . 1 . . . . . 336 THR CA . 53114 1 27 . 1 . 1 7 7 THR N N 15 114.403 0.002 . 1 . . . . . 336 THR N . 53114 1 28 . 1 . 1 8 8 LEU H H 1 8.431 0.000 . 1 . . . . . 337 LEU H . 53114 1 29 . 1 . 1 8 8 LEU C C 13 177.100 0.000 . 1 . . . . . 337 LEU C . 53114 1 30 . 1 . 1 8 8 LEU CA C 13 55.140 0.000 . 1 . . . . . 337 LEU CA . 53114 1 31 . 1 . 1 8 8 LEU N N 15 125.095 0.002 . 1 . . . . . 337 LEU N . 53114 1 32 . 1 . 1 9 9 GLU H H 1 8.474 0.001 . 1 . . . . . 338 GLU H . 53114 1 33 . 1 . 1 9 9 GLU C C 13 176.049 0.000 . 1 . . . . . 338 GLU C . 53114 1 34 . 1 . 1 9 9 GLU CA C 13 56.124 0.000 . 1 . . . . . 338 GLU CA . 53114 1 35 . 1 . 1 9 9 GLU N N 15 122.671 0.002 . 1 . . . . . 338 GLU N . 53114 1 36 . 1 . 1 10 10 LEU H H 1 8.498 0.000 . 1 . . . . . 339 LEU H . 53114 1 37 . 1 . 1 10 10 LEU CA C 13 52.969 0.000 . 1 . . . . . 339 LEU CA . 53114 1 38 . 1 . 1 10 10 LEU N N 15 125.491 0.004 . 1 . . . . . 339 LEU N . 53114 1 39 . 1 . 1 11 11 PRO C C 13 177.108 0.000 . 1 . . . . . 340 PRO C . 53114 1 40 . 1 . 1 11 11 PRO CA C 13 63.190 0.000 . 1 . . . . . 340 PRO CA . 53114 1 41 . 1 . 1 12 12 SER H H 1 8.584 0.001 . 1 . . . . . 341 SER H . 53114 1 42 . 1 . 1 12 12 SER C C 13 175.390 0.000 . 1 . . . . . 341 SER C . 53114 1 43 . 1 . 1 12 12 SER CA C 13 58.364 0.000 . 1 . . . . . 341 SER CA . 53114 1 44 . 1 . 1 12 12 SER N N 15 116.128 0.008 . 1 . . . . . 341 SER N . 53114 1 45 . 1 . 1 13 13 THR H H 1 8.332 0.001 . 1 . . . . . 342 THR H . 53114 1 46 . 1 . 1 13 13 THR C C 13 174.814 0.000 . 1 . . . . . 342 THR C . 53114 1 47 . 1 . 1 13 13 THR CA C 13 62.380 0.000 . 1 . . . . . 342 THR CA . 53114 1 48 . 1 . 1 13 13 THR N N 15 116.493 0.002 . 1 . . . . . 342 THR N . 53114 1 49 . 1 . 1 14 14 LEU H H 1 8.225 0.001 . 1 . . . . . 343 LEU H . 53114 1 50 . 1 . 1 14 14 LEU C C 13 177.631 0.000 . 1 . . . . . 343 LEU C . 53114 1 51 . 1 . 1 14 14 LEU CA C 13 55.597 0.000 . 1 . . . . . 343 LEU CA . 53114 1 52 . 1 . 1 14 14 LEU N N 15 123.981 0.005 . 1 . . . . . 343 LEU N . 53114 1 53 . 1 . 1 15 15 SER H H 1 8.355 0.000 . 1 . . . . . 344 SER H . 53114 1 54 . 1 . 1 15 15 SER C C 13 174.688 0.000 . 1 . . . . . 344 SER C . 53114 1 55 . 1 . 1 15 15 SER CA C 13 58.595 0.000 . 1 . . . . . 344 SER CA . 53114 1 56 . 1 . 1 15 15 SER N N 15 116.694 0.013 . 1 . . . . . 344 SER N . 53114 1 57 . 1 . 1 16 16 LEU H H 1 8.247 0.001 . 1 . . . . . 345 LEU H . 53114 1 58 . 1 . 1 16 16 LEU C C 13 177.213 0.000 . 1 . . . . . 345 LEU C . 53114 1 59 . 1 . 1 16 16 LEU CA C 13 55.448 0.000 . 1 . . . . . 345 LEU CA . 53114 1 60 . 1 . 1 16 16 LEU N N 15 124.110 0.004 . 1 . . . . . 345 LEU N . 53114 1 61 . 1 . 1 17 17 TYR H H 1 8.179 0.000 . 1 . . . . . 346 TYR H . 53114 1 62 . 1 . 1 17 17 TYR C C 13 175.778 0.000 . 1 . . . . . 346 TYR C . 53114 1 63 . 1 . 1 17 17 TYR CA C 13 58.075 0.000 . 1 . . . . . 346 TYR CA . 53114 1 64 . 1 . 1 17 17 TYR N N 15 120.581 0.003 . 1 . . . . . 346 TYR N . 53114 1 65 . 1 . 1 18 18 LYS H H 1 8.240 0.001 . 1 . . . . . 347 LYS H . 53114 1 66 . 1 . 1 18 18 LYS C C 13 176.174 0.000 . 1 . . . . . 347 LYS C . 53114 1 67 . 1 . 1 18 18 LYS CA C 13 55.871 0.000 . 1 . . . . . 347 LYS CA . 53114 1 68 . 1 . 1 18 18 LYS N N 15 124.092 0.005 . 1 . . . . . 347 LYS N . 53114 1 69 . 1 . 1 19 19 SER H H 1 8.451 0.001 . 1 . . . . . 348 SER H . 53114 1 70 . 1 . 1 19 19 SER C C 13 175.228 0.000 . 1 . . . . . 348 SER C . 53114 1 71 . 1 . 1 19 19 SER CA C 13 58.657 0.000 . 1 . . . . . 348 SER CA . 53114 1 72 . 1 . 1 19 19 SER N N 15 117.507 0.004 . 1 . . . . . 348 SER N . 53114 1 73 . 1 . 1 20 20 GLY H H 1 8.576 0.001 . 1 . . . . . 349 GLY H . 53114 1 74 . 1 . 1 20 20 GLY C C 13 173.992 0.000 . 1 . . . . . 349 GLY C . 53114 1 75 . 1 . 1 20 20 GLY CA C 13 45.284 0.000 . 1 . . . . . 349 GLY CA . 53114 1 76 . 1 . 1 20 20 GLY N N 15 111.495 0.003 . 1 . . . . . 349 GLY N . 53114 1 77 . 1 . 1 21 21 ALA H H 1 8.210 0.000 . 1 . . . . . 350 ALA H . 53114 1 78 . 1 . 1 21 21 ALA C C 13 178.094 0.000 . 1 . . . . . 350 ALA C . 53114 1 79 . 1 . 1 21 21 ALA CA C 13 52.677 0.000 . 1 . . . . . 350 ALA CA . 53114 1 80 . 1 . 1 21 21 ALA N N 15 123.762 0.007 . 1 . . . . . 350 ALA N . 53114 1 81 . 1 . 1 22 22 LEU H H 1 8.397 0.000 . 1 . . . . . 351 LEU H . 53114 1 82 . 1 . 1 22 22 LEU C C 13 177.422 0.000 . 1 . . . . . 351 LEU C . 53114 1 83 . 1 . 1 22 22 LEU CA C 13 55.414 0.000 . 1 . . . . . 351 LEU CA . 53114 1 84 . 1 . 1 22 22 LEU N N 15 121.193 0.004 . 1 . . . . . 351 LEU N . 53114 1 85 . 1 . 1 23 23 ASP H H 1 8.320 0.000 . 1 . . . . . 352 ASP H . 53114 1 86 . 1 . 1 23 23 ASP C C 13 176.692 0.000 . 1 . . . . . 352 ASP C . 53114 1 87 . 1 . 1 23 23 ASP CA C 13 54.269 0.000 . 1 . . . . . 352 ASP CA . 53114 1 88 . 1 . 1 23 23 ASP N N 15 121.102 0.003 . 1 . . . . . 352 ASP N . 53114 1 89 . 1 . 1 24 24 GLU H H 1 8.462 0.001 . 1 . . . . . 353 GLU H . 53114 1 90 . 1 . 1 24 24 GLU C C 13 176.985 0.000 . 1 . . . . . 353 GLU C . 53114 1 91 . 1 . 1 24 24 GLU CA C 13 57.540 0.000 . 1 . . . . . 353 GLU CA . 53114 1 92 . 1 . 1 24 24 GLU N N 15 122.306 0.006 . 1 . . . . . 353 GLU N . 53114 1 93 . 1 . 1 25 25 ALA H H 1 8.332 0.000 . 1 . . . . . 354 ALA H . 53114 1 94 . 1 . 1 25 25 ALA C C 13 178.412 0.000 . 1 . . . . . 354 ALA C . 53114 1 95 . 1 . 1 25 25 ALA CA C 13 53.262 0.000 . 1 . . . . . 354 ALA CA . 53114 1 96 . 1 . 1 25 25 ALA N N 15 123.673 0.006 . 1 . . . . . 354 ALA N . 53114 1 97 . 1 . 1 26 26 ALA H H 1 8.095 0.002 . 1 . . . . . 355 ALA H . 53114 1 98 . 1 . 1 26 26 ALA C C 13 178.269 0.000 . 1 . . . . . 355 ALA C . 53114 1 99 . 1 . 1 26 26 ALA CA C 13 53.116 0.000 . 1 . . . . . 355 ALA CA . 53114 1 100 . 1 . 1 26 26 ALA N N 15 122.210 0.004 . 1 . . . . . 355 ALA N . 53114 1 101 . 1 . 1 27 27 ALA H H 1 8.132 0.001 . 1 . . . . . 356 ALA H . 53114 1 102 . 1 . 1 27 27 ALA C C 13 178.095 0.000 . 1 . . . . . 356 ALA C . 53114 1 103 . 1 . 1 27 27 ALA CA C 13 53.050 0.000 . 1 . . . . . 356 ALA CA . 53114 1 104 . 1 . 1 27 27 ALA N N 15 122.193 0.005 . 1 . . . . . 356 ALA N . 53114 1 105 . 1 . 1 28 28 TYR H H 1 8.054 0.000 . 1 . . . . . 357 TYR H . 53114 1 106 . 1 . 1 28 28 TYR C C 13 176.112 0.000 . 1 . . . . . 357 TYR C . 53114 1 107 . 1 . 1 28 28 TYR CA C 13 58.455 0.000 . 1 . . . . . 357 TYR CA . 53114 1 108 . 1 . 1 28 28 TYR N N 15 118.836 0.002 . 1 . . . . . 357 TYR N . 53114 1 109 . 1 . 1 29 29 GLN H H 1 8.102 0.001 . 1 . . . . . 358 GLN H . 53114 1 110 . 1 . 1 29 29 GLN C C 13 175.765 0.000 . 1 . . . . . 358 GLN C . 53114 1 111 . 1 . 1 29 29 GLN CA C 13 55.788 0.000 . 1 . . . . . 358 GLN CA . 53114 1 112 . 1 . 1 29 29 GLN N N 15 121.489 0.001 . 1 . . . . . 358 GLN N . 53114 1 113 . 1 . 1 30 30 SER H H 1 8.305 0.001 . 1 . . . . . 359 SER H . 53114 1 114 . 1 . 1 30 30 SER C C 13 174.866 0.000 . 1 . . . . . 359 SER C . 53114 1 115 . 1 . 1 30 30 SER CA C 13 58.657 0.000 . 1 . . . . . 359 SER CA . 53114 1 116 . 1 . 1 30 30 SER N N 15 116.698 0.006 . 1 . . . . . 359 SER N . 53114 1 117 . 1 . 1 31 31 ARG H H 1 8.360 0.001 . 1 . . . . . 360 ARG H . 53114 1 118 . 1 . 1 31 31 ARG C C 13 175.952 0.000 . 1 . . . . . 360 ARG C . 53114 1 119 . 1 . 1 31 31 ARG CA C 13 56.477 0.000 . 1 . . . . . 360 ARG CA . 53114 1 120 . 1 . 1 31 31 ARG N N 15 122.785 0.007 . 1 . . . . . 360 ARG N . 53114 1 121 . 1 . 1 32 32 ASP H H 1 8.338 0.000 . 1 . . . . . 361 ASP H . 53114 1 122 . 1 . 1 32 32 ASP C C 13 176.113 0.000 . 1 . . . . . 361 ASP C . 53114 1 123 . 1 . 1 32 32 ASP CA C 13 54.349 0.000 . 1 . . . . . 361 ASP CA . 53114 1 124 . 1 . 1 32 32 ASP N N 15 120.621 0.007 . 1 . . . . . 361 ASP N . 53114 1 125 . 1 . 1 33 33 TYR H H 1 8.013 0.001 . 1 . . . . . 362 TYR H . 53114 1 126 . 1 . 1 33 33 TYR C C 13 175.665 0.000 . 1 . . . . . 362 TYR C . 53114 1 127 . 1 . 1 33 33 TYR CA C 13 58.700 0.000 . 1 . . . . . 362 TYR CA . 53114 1 128 . 1 . 1 33 33 TYR N N 15 120.337 0.003 . 1 . . . . . 362 TYR N . 53114 1 129 . 1 . 1 34 34 TYR H H 1 8.005 0.001 . 1 . . . . . 363 TYR H . 53114 1 130 . 1 . 1 34 34 TYR C C 13 175.351 0.000 . 1 . . . . . 363 TYR C . 53114 1 131 . 1 . 1 34 34 TYR CA C 13 58.455 0.000 . 1 . . . . . 363 TYR CA . 53114 1 132 . 1 . 1 34 34 TYR N N 15 120.026 0.004 . 1 . . . . . 363 TYR N . 53114 1 133 . 1 . 1 35 35 ASN H H 1 8.016 0.001 . 1 . . . . . 364 ASN H . 53114 1 134 . 1 . 1 35 35 ASN C C 13 174.150 0.000 . 1 . . . . . 364 ASN C . 53114 1 135 . 1 . 1 35 35 ASN CA C 13 53.059 0.000 . 1 . . . . . 364 ASN CA . 53114 1 136 . 1 . 1 35 35 ASN N N 15 119.369 0.005 . 1 . . . . . 364 ASN N . 53114 1 137 . 1 . 1 36 36 PHE H H 1 8.052 0.001 . 1 . . . . . 365 PHE H . 53114 1 138 . 1 . 1 36 36 PHE CA C 13 55.955 0.000 . 1 . . . . . 365 PHE CA . 53114 1 139 . 1 . 1 36 36 PHE N N 15 121.310 0.008 . 1 . . . . . 365 PHE N . 53114 1 140 . 1 . 1 37 37 PRO C C 13 176.994 0.000 . 1 . . . . . 366 PRO C . 53114 1 141 . 1 . 1 37 37 PRO CA C 13 63.317 0.000 . 1 . . . . . 366 PRO CA . 53114 1 142 . 1 . 1 38 38 LEU H H 1 8.361 0.000 . 1 . . . . . 367 LEU H . 53114 1 143 . 1 . 1 38 38 LEU C C 13 177.387 0.000 . 1 . . . . . 367 LEU C . 53114 1 144 . 1 . 1 38 38 LEU CA C 13 55.226 0.000 . 1 . . . . . 367 LEU CA . 53114 1 145 . 1 . 1 38 38 LEU N N 15 122.313 0.005 . 1 . . . . . 367 LEU N . 53114 1 146 . 1 . 1 39 39 ALA H H 1 8.366 0.001 . 1 . . . . . 368 ALA H . 53114 1 147 . 1 . 1 39 39 ALA C C 13 177.640 0.000 . 1 . . . . . 368 ALA C . 53114 1 148 . 1 . 1 39 39 ALA CA C 13 52.391 0.000 . 1 . . . . . 368 ALA CA . 53114 1 149 . 1 . 1 39 39 ALA N N 15 124.973 0.028 . 1 . . . . . 368 ALA N . 53114 1 150 . 1 . 1 40 40 LEU H H 1 8.270 0.000 . 1 . . . . . 369 LEU H . 53114 1 151 . 1 . 1 40 40 LEU C C 13 177.151 0.000 . 1 . . . . . 369 LEU C . 53114 1 152 . 1 . 1 40 40 LEU CA C 13 54.993 0.000 . 1 . . . . . 369 LEU CA . 53114 1 153 . 1 . 1 40 40 LEU N N 15 121.671 0.002 . 1 . . . . . 369 LEU N . 53114 1 154 . 1 . 1 41 41 ALA H H 1 8.369 0.001 . 1 . . . . . 370 ALA H . 53114 1 155 . 1 . 1 41 41 ALA C C 13 177.757 0.000 . 1 . . . . . 370 ALA C . 53114 1 156 . 1 . 1 41 41 ALA CA C 13 52.387 0.000 . 1 . . . . . 370 ALA CA . 53114 1 157 . 1 . 1 41 41 ALA N N 15 125.059 0.012 . 1 . . . . . 370 ALA N . 53114 1 158 . 1 . 1 42 42 GLY H H 1 8.219 0.001 . 1 . . . . . 371 GLY H . 53114 1 159 . 1 . 1 42 42 GLY CA C 13 44.360 0.000 . 1 . . . . . 371 GLY CA . 53114 1 160 . 1 . 1 42 42 GLY N N 15 108.556 0.002 . 1 . . . . . 371 GLY N . 53114 1 161 . 1 . 1 50 50 PRO C C 13 176.359 0.000 . 1 . . . . . 379 PRO C . 53114 1 162 . 1 . 1 50 50 PRO CA C 13 62.757 0.000 . 1 . . . . . 379 PRO CA . 53114 1 163 . 1 . 1 51 51 HIS H H 1 8.429 0.001 . 1 . . . . . 380 HIS H . 53114 1 164 . 1 . 1 51 51 HIS CA C 13 54.529 0.000 . 1 . . . . . 380 HIS CA . 53114 1 165 . 1 . 1 51 51 HIS N N 15 121.418 0.004 . 1 . . . . . 380 HIS N . 53114 1 166 . 1 . 1 52 52 PRO C C 13 176.936 0.000 . 1 . . . . . 381 PRO C . 53114 1 167 . 1 . 1 53 53 HIS H H 1 8.847 0.001 . 1 . . . . . 382 HIS H . 53114 1 168 . 1 . 1 53 53 HIS C C 13 175.458 0.000 . 1 . . . . . 382 HIS C . 53114 1 169 . 1 . 1 53 53 HIS CA C 13 56.126 0.000 . 1 . . . . . 382 HIS CA . 53114 1 170 . 1 . 1 53 53 HIS N N 15 119.798 0.014 . 1 . . . . . 382 HIS N . 53114 1 171 . 1 . 1 54 54 ALA H H 1 8.287 0.003 . 1 . . . . . 383 ALA H . 53114 1 172 . 1 . 1 54 54 ALA C C 13 177.611 0.000 . 1 . . . . . 383 ALA C . 53114 1 173 . 1 . 1 54 54 ALA CA C 13 52.665 0.000 . 1 . . . . . 383 ALA CA . 53114 1 174 . 1 . 1 54 54 ALA N N 15 124.948 0.007 . 1 . . . . . 383 ALA N . 53114 1 175 . 1 . 1 55 55 ARG H H 1 8.514 0.000 . 1 . . . . . 384 ARG H . 53114 1 176 . 1 . 1 55 55 ARG C C 13 176.346 0.000 . 1 . . . . . 384 ARG C . 53114 1 177 . 1 . 1 55 55 ARG CA C 13 56.142 0.000 . 1 . . . . . 384 ARG CA . 53114 1 178 . 1 . 1 55 55 ARG N N 15 120.845 0.001 . 1 . . . . . 384 ARG N . 53114 1 179 . 1 . 1 56 56 ILE H H 1 8.262 0.001 . 1 . . . . . 385 ILE H . 53114 1 180 . 1 . 1 56 56 ILE C C 13 175.965 0.000 . 1 . . . . . 385 ILE C . 53114 1 181 . 1 . 1 56 56 ILE CA C 13 61.139 0.000 . 1 . . . . . 385 ILE CA . 53114 1 182 . 1 . 1 56 56 ILE N N 15 122.678 0.004 . 1 . . . . . 385 ILE N . 53114 1 183 . 1 . 1 57 57 LYS H H 1 8.494 0.001 . 1 . . . . . 386 LYS H . 53114 1 184 . 1 . 1 57 57 LYS C C 13 176.067 0.000 . 1 . . . . . 386 LYS C . 53114 1 185 . 1 . 1 57 57 LYS CA C 13 56.240 0.000 . 1 . . . . . 386 LYS CA . 53114 1 186 . 1 . 1 57 57 LYS N N 15 126.335 0.005 . 1 . . . . . 386 LYS N . 53114 1 187 . 1 . 1 58 58 LEU H H 1 8.426 0.001 . 1 . . . . . 387 LEU H . 53114 1 188 . 1 . 1 58 58 LEU C C 13 177.166 0.000 . 1 . . . . . 387 LEU C . 53114 1 189 . 1 . 1 58 58 LEU CA C 13 54.890 0.000 . 1 . . . . . 387 LEU CA . 53114 1 190 . 1 . 1 58 58 LEU N N 15 125.131 0.024 . 1 . . . . . 387 LEU N . 53114 1 191 . 1 . 1 59 59 GLU H H 1 8.553 0.000 . 1 . . . . . 388 GLU H . 53114 1 192 . 1 . 1 59 59 GLU C C 13 175.834 0.000 . 1 . . . . . 388 GLU C . 53114 1 193 . 1 . 1 59 59 GLU CA C 13 56.493 0.000 . 1 . . . . . 388 GLU CA . 53114 1 194 . 1 . 1 59 59 GLU N N 15 122.124 0.009 . 1 . . . . . 388 GLU N . 53114 1 195 . 1 . 1 60 60 ASN H H 1 8.614 0.002 . 1 . . . . . 389 ASN H . 53114 1 196 . 1 . 1 60 60 ASN CA C 13 50.940 0.000 . 1 . . . . . 389 ASN CA . 53114 1 197 . 1 . 1 60 60 ASN N N 15 120.476 0.005 . 1 . . . . . 389 ASN N . 53114 1 198 . 1 . 1 61 61 PRO C C 13 177.263 0.000 . 1 . . . . . 390 PRO C . 53114 1 199 . 1 . 1 61 61 PRO CA C 13 63.672 0.000 . 1 . . . . . 390 PRO CA . 53114 1 200 . 1 . 1 62 62 LEU H H 1 8.220 0.002 . 1 . . . . . 391 LEU H . 53114 1 201 . 1 . 1 62 62 LEU C C 13 177.263 0.000 . 1 . . . . . 391 LEU C . 53114 1 202 . 1 . 1 62 62 LEU CA C 13 55.394 0.000 . 1 . . . . . 391 LEU CA . 53114 1 203 . 1 . 1 62 62 LEU N N 15 119.926 0.005 . 1 . . . . . 391 LEU N . 53114 1 204 . 1 . 1 63 63 ASP H H 1 8.025 0.000 . 1 . . . . . 392 ASP H . 53114 1 205 . 1 . 1 63 63 ASP C C 13 176.192 0.000 . 1 . . . . . 392 ASP C . 53114 1 206 . 1 . 1 63 63 ASP CA C 13 54.048 0.000 . 1 . . . . . 392 ASP CA . 53114 1 207 . 1 . 1 63 63 ASP N N 15 119.907 0.005 . 1 . . . . . 392 ASP N . 53114 1 208 . 1 . 1 64 64 TYR H H 1 8.082 0.000 . 1 . . . . . 393 TYR H . 53114 1 209 . 1 . 1 64 64 TYR C C 13 176.810 0.000 . 1 . . . . . 393 TYR C . 53114 1 210 . 1 . 1 64 64 TYR CA C 13 58.812 0.000 . 1 . . . . . 393 TYR CA . 53114 1 211 . 1 . 1 64 64 TYR N N 15 121.163 0.007 . 1 . . . . . 393 TYR N . 53114 1 212 . 1 . 1 65 65 GLY H H 1 8.458 0.001 . 1 . . . . . 394 GLY H . 53114 1 213 . 1 . 1 65 65 GLY C C 13 174.916 0.000 . 1 . . . . . 394 GLY C . 53114 1 214 . 1 . 1 65 65 GLY CA C 13 45.644 0.000 . 1 . . . . . 394 GLY CA . 53114 1 215 . 1 . 1 65 65 GLY N N 15 109.701 0.002 . 1 . . . . . 394 GLY N . 53114 1 216 . 1 . 1 66 66 SER H H 1 8.225 0.002 . 1 . . . . . 395 SER H . 53114 1 217 . 1 . 1 66 66 SER C C 13 175.519 0.000 . 1 . . . . . 395 SER C . 53114 1 218 . 1 . 1 66 66 SER CA C 13 59.353 0.000 . 1 . . . . . 395 SER CA . 53114 1 219 . 1 . 1 66 66 SER N N 15 116.103 0.010 . 1 . . . . . 395 SER N . 53114 1 220 . 1 . 1 67 67 ALA H H 1 8.545 0.003 . 1 . . . . . 396 ALA H . 53114 1 221 . 1 . 1 67 67 ALA C C 13 179.086 0.000 . 1 . . . . . 396 ALA C . 53114 1 222 . 1 . 1 67 67 ALA CA C 13 53.920 0.000 . 1 . . . . . 396 ALA CA . 53114 1 223 . 1 . 1 67 67 ALA N N 15 125.882 0.005 . 1 . . . . . 396 ALA N . 53114 1 224 . 1 . 1 68 68 TRP H H 1 8.177 0.001 . 1 . . . . . 397 TRP H . 53114 1 225 . 1 . 1 68 68 TRP C C 13 177.263 0.000 . 1 . . . . . 397 TRP C . 53114 1 226 . 1 . 1 68 68 TRP CA C 13 58.938 0.000 . 1 . . . . . 397 TRP CA . 53114 1 227 . 1 . 1 68 68 TRP N N 15 120.009 0.004 . 1 . . . . . 397 TRP N . 53114 1 228 . 1 . 1 69 69 ALA H H 1 7.945 0.001 . 1 . . . . . 398 ALA H . 53114 1 229 . 1 . 1 69 69 ALA C C 13 178.821 0.000 . 1 . . . . . 398 ALA C . 53114 1 230 . 1 . 1 69 69 ALA CA C 13 53.752 0.000 . 1 . . . . . 398 ALA CA . 53114 1 231 . 1 . 1 69 69 ALA N N 15 123.979 0.007 . 1 . . . . . 398 ALA N . 53114 1 232 . 1 . 1 70 70 ALA H H 1 8.017 0.001 . 1 . . . . . 399 ALA H . 53114 1 233 . 1 . 1 70 70 ALA C C 13 178.920 0.000 . 1 . . . . . 399 ALA C . 53114 1 234 . 1 . 1 70 70 ALA CA C 13 53.657 0.000 . 1 . . . . . 399 ALA CA . 53114 1 235 . 1 . 1 70 70 ALA N N 15 122.060 0.005 . 1 . . . . . 399 ALA N . 53114 1 236 . 1 . 1 71 71 ALA H H 1 7.990 0.001 . 1 . . . . . 400 ALA H . 53114 1 237 . 1 . 1 71 71 ALA C C 13 179.046 0.000 . 1 . . . . . 400 ALA C . 53114 1 238 . 1 . 1 71 71 ALA CA C 13 53.607 0.000 . 1 . . . . . 400 ALA CA . 53114 1 239 . 1 . 1 71 71 ALA N N 15 121.942 0.008 . 1 . . . . . 400 ALA N . 53114 1 240 . 1 . 1 72 72 ALA H H 1 8.109 0.002 . 1 . . . . . 401 ALA H . 53114 1 241 . 1 . 1 72 72 ALA C C 13 178.789 0.000 . 1 . . . . . 401 ALA C . 53114 1 242 . 1 . 1 72 72 ALA CA C 13 53.340 0.000 . 1 . . . . . 401 ALA CA . 53114 1 243 . 1 . 1 72 72 ALA N N 15 122.226 0.007 . 1 . . . . . 401 ALA N . 53114 1 244 . 1 . 1 73 73 ALA H H 1 7.995 0.001 . 1 . . . . . 402 ALA H . 53114 1 245 . 1 . 1 73 73 ALA C C 13 178.576 0.000 . 1 . . . . . 402 ALA C . 53114 1 246 . 1 . 1 73 73 ALA CA C 13 53.441 0.000 . 1 . . . . . 402 ALA CA . 53114 1 247 . 1 . 1 73 73 ALA N N 15 121.630 0.009 . 1 . . . . . 402 ALA N . 53114 1 248 . 1 . 1 74 74 GLN H H 1 8.081 0.000 . 1 . . . . . 403 GLN H . 53114 1 249 . 1 . 1 74 74 GLN C C 13 176.771 0.000 . 1 . . . . . 403 GLN C . 53114 1 250 . 1 . 1 74 74 GLN CA C 13 56.504 0.000 . 1 . . . . . 403 GLN CA . 53114 1 251 . 1 . 1 74 74 GLN N N 15 118.056 0.002 . 1 . . . . . 403 GLN N . 53114 1 252 . 1 . 1 75 75 SER H H 1 8.195 0.002 . 1 . . . . . 404 SER H . 53114 1 253 . 1 . 1 75 75 SER C C 13 174.853 0.000 . 1 . . . . . 404 SER C . 53114 1 254 . 1 . 1 75 75 SER CA C 13 59.142 0.000 . 1 . . . . . 404 SER CA . 53114 1 255 . 1 . 1 75 75 SER N N 15 116.103 0.001 . 1 . . . . . 404 SER N . 53114 1 256 . 1 . 1 76 76 ARG H H 1 8.210 0.000 . 1 . . . . . 405 ARG H . 53114 1 257 . 1 . 1 76 76 ARG C C 13 176.383 0.000 . 1 . . . . . 405 ARG C . 53114 1 258 . 1 . 1 76 76 ARG CA C 13 56.648 0.000 . 1 . . . . . 405 ARG CA . 53114 1 259 . 1 . 1 76 76 ARG N N 15 122.272 0.011 . 1 . . . . . 405 ARG N . 53114 1 260 . 1 . 1 77 77 TYR H H 1 8.222 0.001 . 1 . . . . . 406 TYR H . 53114 1 261 . 1 . 1 77 77 TYR C C 13 176.659 0.000 . 1 . . . . . 406 TYR C . 53114 1 262 . 1 . 1 77 77 TYR CA C 13 58.304 0.000 . 1 . . . . . 406 TYR CA . 53114 1 263 . 1 . 1 77 77 TYR N N 15 119.891 0.011 . 1 . . . . . 406 TYR N . 53114 1 264 . 1 . 1 78 78 GLY H H 1 8.276 0.001 . 1 . . . . . 407 GLY H . 53114 1 265 . 1 . 1 78 78 GLY C C 13 174.019 0.000 . 1 . . . . . 407 GLY C . 53114 1 266 . 1 . 1 78 78 GLY CA C 13 45.406 0.000 . 1 . . . . . 407 GLY CA . 53114 1 267 . 1 . 1 78 78 GLY N N 15 110.043 0.002 . 1 . . . . . 407 GLY N . 53114 1 268 . 1 . 1 79 79 ASP H H 1 8.263 0.000 . 1 . . . . . 408 ASP H . 53114 1 269 . 1 . 1 79 79 ASP C C 13 176.891 0.000 . 1 . . . . . 408 ASP C . 53114 1 270 . 1 . 1 79 79 ASP CA C 13 54.501 0.000 . 1 . . . . . 408 ASP CA . 53114 1 271 . 1 . 1 79 79 ASP N N 15 120.688 0.006 . 1 . . . . . 408 ASP N . 53114 1 272 . 1 . 1 80 80 LEU H H 1 8.320 0.001 . 1 . . . . . 409 LEU H . 53114 1 273 . 1 . 1 80 80 LEU C C 13 177.957 0.000 . 1 . . . . . 409 LEU C . 53114 1 274 . 1 . 1 80 80 LEU CA C 13 55.979 0.000 . 1 . . . . . 409 LEU CA . 53114 1 275 . 1 . 1 80 80 LEU N N 15 122.672 0.003 . 1 . . . . . 409 LEU N . 53114 1 276 . 1 . 1 81 81 ALA H H 1 8.305 0.003 . 1 . . . . . 410 ALA H . 53114 1 277 . 1 . 1 81 81 ALA C C 13 178.611 0.000 . 1 . . . . . 410 ALA C . 53114 1 278 . 1 . 1 81 81 ALA CA C 13 53.472 0.000 . 1 . . . . . 410 ALA CA . 53114 1 279 . 1 . 1 81 81 ALA N N 15 123.232 0.004 . 1 . . . . . 410 ALA N . 53114 1 280 . 1 . 1 82 82 SER H H 1 8.119 0.000 . 1 . . . . . 411 SER H . 53114 1 281 . 1 . 1 82 82 SER C C 13 175.046 0.000 . 1 . . . . . 411 SER C . 53114 1 282 . 1 . 1 82 82 SER CA C 13 58.877 0.000 . 1 . . . . . 411 SER CA . 53114 1 283 . 1 . 1 82 82 SER N N 15 113.909 0.007 . 1 . . . . . 411 SER N . 53114 1 284 . 1 . 1 83 83 LEU H H 1 8.080 0.001 . 1 . . . . . 412 LEU H . 53114 1 285 . 1 . 1 83 83 LEU C C 13 177.549 0.000 . 1 . . . . . 412 LEU C . 53114 1 286 . 1 . 1 83 83 LEU CA C 13 55.710 0.000 . 1 . . . . . 412 LEU CA . 53114 1 287 . 1 . 1 83 83 LEU N N 15 123.380 0.002 . 1 . . . . . 412 LEU N . 53114 1 288 . 1 . 1 84 84 HIS H H 1 8.216 0.001 . 1 . . . . . 413 HIS H . 53114 1 289 . 1 . 1 84 84 HIS C C 13 176.104 0.000 . 1 . . . . . 413 HIS C . 53114 1 290 . 1 . 1 84 84 HIS CA C 13 56.383 0.000 . 1 . . . . . 413 HIS CA . 53114 1 291 . 1 . 1 84 84 HIS N N 15 118.824 0.005 . 1 . . . . . 413 HIS N . 53114 1 292 . 1 . 1 85 85 GLY H H 1 8.330 0.002 . 1 . . . . . 414 GLY H . 53114 1 293 . 1 . 1 85 85 GLY C C 13 174.104 0.000 . 1 . . . . . 414 GLY C . 53114 1 294 . 1 . 1 85 85 GLY CA C 13 45.335 0.000 . 1 . . . . . 414 GLY CA . 53114 1 295 . 1 . 1 85 85 GLY N N 15 109.886 0.011 . 1 . . . . . 414 GLY N . 53114 1 296 . 1 . 1 86 86 ALA H H 1 8.342 0.001 . 1 . . . . . 415 ALA H . 53114 1 297 . 1 . 1 86 86 ALA C C 13 178.454 0.000 . 1 . . . . . 415 ALA C . 53114 1 298 . 1 . 1 86 86 ALA CA C 13 52.806 0.000 . 1 . . . . . 415 ALA CA . 53114 1 299 . 1 . 1 86 86 ALA N N 15 123.919 0.004 . 1 . . . . . 415 ALA N . 53114 1 300 . 1 . 1 87 87 GLY H H 1 8.497 0.001 . 1 . . . . . 416 GLY H . 53114 1 301 . 1 . 1 87 87 GLY C C 13 174.040 0.000 . 1 . . . . . 416 GLY C . 53114 1 302 . 1 . 1 87 87 GLY CA C 13 45.193 0.000 . 1 . . . . . 416 GLY CA . 53114 1 303 . 1 . 1 87 87 GLY N N 15 108.306 0.001 . 1 . . . . . 416 GLY N . 53114 1 304 . 1 . 1 88 88 ALA H H 1 8.191 0.001 . 1 . . . . . 417 ALA H . 53114 1 305 . 1 . 1 88 88 ALA C C 13 177.507 0.000 . 1 . . . . . 417 ALA C . 53114 1 306 . 1 . 1 88 88 ALA CA C 13 52.536 0.000 . 1 . . . . . 417 ALA CA . 53114 1 307 . 1 . 1 88 88 ALA N N 15 123.841 0.006 . 1 . . . . . 417 ALA N . 53114 1 308 . 1 . 1 89 89 ALA H H 1 8.382 0.000 . 1 . . . . . 418 ALA H . 53114 1 309 . 1 . 1 89 89 ALA C C 13 177.912 0.000 . 1 . . . . . 418 ALA C . 53114 1 310 . 1 . 1 89 89 ALA CA C 13 52.375 0.000 . 1 . . . . . 418 ALA CA . 53114 1 311 . 1 . 1 89 89 ALA N N 15 123.132 0.002 . 1 . . . . . 418 ALA N . 53114 1 312 . 1 . 1 90 90 GLY H H 1 8.233 0.000 . 1 . . . . . 419 GLY H . 53114 1 313 . 1 . 1 90 90 GLY CA C 13 44.492 0.000 . 1 . . . . . 419 GLY CA . 53114 1 314 . 1 . 1 90 90 GLY N N 15 108.139 0.005 . 1 . . . . . 419 GLY N . 53114 1 315 . 1 . 1 91 91 PRO C C 13 177.874 0.000 . 1 . . . . . 420 PRO C . 53114 1 316 . 1 . 1 91 91 PRO CA C 13 63.513 0.000 . 1 . . . . . 420 PRO CA . 53114 1 317 . 1 . 1 92 92 GLY H H 1 8.703 0.002 . 1 . . . . . 421 GLY H . 53114 1 318 . 1 . 1 92 92 GLY C C 13 174.472 0.000 . 1 . . . . . 421 GLY C . 53114 1 319 . 1 . 1 92 92 GLY CA C 13 45.257 0.000 . 1 . . . . . 421 GLY CA . 53114 1 320 . 1 . 1 92 92 GLY N N 15 110.152 0.009 . 1 . . . . . 421 GLY N . 53114 1 321 . 1 . 1 93 93 SER H H 1 8.315 0.001 . 1 . . . . . 422 SER H . 53114 1 322 . 1 . 1 93 93 SER C C 13 175.148 0.000 . 1 . . . . . 422 SER C . 53114 1 323 . 1 . 1 93 93 SER CA C 13 58.742 0.000 . 1 . . . . . 422 SER CA . 53114 1 324 . 1 . 1 93 93 SER N N 15 115.663 0.006 . 1 . . . . . 422 SER N . 53114 1 325 . 1 . 1 94 94 GLY H H 1 8.600 0.002 . 1 . . . . . 423 GLY H . 53114 1 326 . 1 . 1 94 94 GLY C C 13 173.830 0.000 . 1 . . . . . 423 GLY C . 53114 1 327 . 1 . 1 94 94 GLY CA C 13 45.053 0.000 . 1 . . . . . 423 GLY CA . 53114 1 328 . 1 . 1 94 94 GLY N N 15 110.963 0.005 . 1 . . . . . 423 GLY N . 53114 1 329 . 1 . 1 95 95 SER H H 1 8.283 0.000 . 1 . . . . . 424 SER H . 53114 1 330 . 1 . 1 95 95 SER CA C 13 56.481 0.000 . 1 . . . . . 424 SER CA . 53114 1 331 . 1 . 1 95 95 SER N N 15 116.950 0.006 . 1 . . . . . 424 SER N . 53114 1 332 . 1 . 1 96 96 PRO C C 13 177.170 0.000 . 1 . . . . . 425 PRO C . 53114 1 333 . 1 . 1 96 96 PRO CA C 13 63.503 0.000 . 1 . . . . . 425 PRO CA . 53114 1 334 . 1 . 1 97 97 SER H H 1 8.455 0.002 . 1 . . . . . 426 SER H . 53114 1 335 . 1 . 1 97 97 SER C C 13 174.579 0.000 . 1 . . . . . 426 SER C . 53114 1 336 . 1 . 1 97 97 SER CA C 13 58.383 0.000 . 1 . . . . . 426 SER CA . 53114 1 337 . 1 . 1 97 97 SER N N 15 115.988 0.008 . 1 . . . . . 426 SER N . 53114 1 338 . 1 . 1 98 98 ALA H H 1 8.424 0.003 . 1 . . . . . 427 ALA H . 53114 1 339 . 1 . 1 98 98 ALA C C 13 177.788 0.000 . 1 . . . . . 427 ALA C . 53114 1 340 . 1 . 1 98 98 ALA CA C 13 52.772 0.000 . 1 . . . . . 427 ALA CA . 53114 1 341 . 1 . 1 98 98 ALA N N 15 126.404 0.012 . 1 . . . . . 427 ALA N . 53114 1 342 . 1 . 1 99 99 ALA H H 1 8.300 0.000 . 1 . . . . . 428 ALA H . 53114 1 343 . 1 . 1 99 99 ALA C C 13 177.948 0.000 . 1 . . . . . 428 ALA C . 53114 1 344 . 1 . 1 99 99 ALA CA C 13 52.690 0.000 . 1 . . . . . 428 ALA CA . 53114 1 345 . 1 . 1 99 99 ALA N N 15 123.016 0.005 . 1 . . . . . 428 ALA N . 53114 1 346 . 1 . 1 100 100 ALA H H 1 8.316 0.000 . 1 . . . . . 429 ALA H . 53114 1 347 . 1 . 1 100 100 ALA C C 13 178.137 0.000 . 1 . . . . . 429 ALA C . 53114 1 348 . 1 . 1 100 100 ALA CA C 13 52.700 0.000 . 1 . . . . . 429 ALA CA . 53114 1 349 . 1 . 1 100 100 ALA N N 15 123.191 0.001 . 1 . . . . . 429 ALA N . 53114 1 350 . 1 . 1 101 101 SER H H 1 8.290 0.002 . 1 . . . . . 430 SER H . 53114 1 351 . 1 . 1 101 101 SER C C 13 174.912 0.000 . 1 . . . . . 430 SER C . 53114 1 352 . 1 . 1 101 101 SER CA C 13 58.512 0.000 . 1 . . . . . 430 SER CA . 53114 1 353 . 1 . 1 101 101 SER N N 15 114.810 0.012 . 1 . . . . . 430 SER N . 53114 1 354 . 1 . 1 102 102 SER H H 1 8.391 0.002 . 1 . . . . . 431 SER H . 53114 1 355 . 1 . 1 102 102 SER C C 13 174.749 0.000 . 1 . . . . . 431 SER C . 53114 1 356 . 1 . 1 102 102 SER CA C 13 58.726 0.000 . 1 . . . . . 431 SER CA . 53114 1 357 . 1 . 1 102 102 SER N N 15 117.787 0.002 . 1 . . . . . 431 SER N . 53114 1 358 . 1 . 1 103 103 SER H H 1 8.360 0.001 . 1 . . . . . 432 SER H . 53114 1 359 . 1 . 1 103 103 SER C C 13 174.487 0.000 . 1 . . . . . 432 SER C . 53114 1 360 . 1 . 1 103 103 SER CA C 13 58.677 0.000 . 1 . . . . . 432 SER CA . 53114 1 361 . 1 . 1 103 103 SER N N 15 117.500 0.018 . 1 . . . . . 432 SER N . 53114 1 362 . 1 . 1 104 104 TRP H H 1 8.084 0.001 . 1 . . . . . 433 TRP H . 53114 1 363 . 1 . 1 104 104 TRP C C 13 176.147 0.000 . 1 . . . . . 433 TRP C . 53114 1 364 . 1 . 1 104 104 TRP CA C 13 57.805 0.000 . 1 . . . . . 433 TRP CA . 53114 1 365 . 1 . 1 104 104 TRP N N 15 122.674 0.001 . 1 . . . . . 433 TRP N . 53114 1 366 . 1 . 1 105 105 HIS H H 1 7.927 0.001 . 1 . . . . . 434 HIS H . 53114 1 367 . 1 . 1 105 105 HIS C C 13 175.354 0.000 . 1 . . . . . 434 HIS C . 53114 1 368 . 1 . 1 105 105 HIS CA C 13 56.655 0.000 . 1 . . . . . 434 HIS CA . 53114 1 369 . 1 . 1 105 105 HIS N N 15 119.946 0.009 . 1 . . . . . 434 HIS N . 53114 1 370 . 1 . 1 106 106 THR H H 1 7.971 0.003 . 1 . . . . . 435 THR H . 53114 1 371 . 1 . 1 106 106 THR C C 13 174.308 0.000 . 1 . . . . . 435 THR C . 53114 1 372 . 1 . 1 106 106 THR CA C 13 62.382 0.000 . 1 . . . . . 435 THR CA . 53114 1 373 . 1 . 1 106 106 THR N N 15 115.030 0.005 . 1 . . . . . 435 THR N . 53114 1 374 . 1 . 1 107 107 LEU H H 1 8.215 0.002 . 1 . . . . . 436 LEU H . 53114 1 375 . 1 . 1 107 107 LEU C C 13 176.940 0.000 . 1 . . . . . 436 LEU C . 53114 1 376 . 1 . 1 107 107 LEU CA C 13 55.379 0.000 . 1 . . . . . 436 LEU CA . 53114 1 377 . 1 . 1 107 107 LEU N N 15 124.062 0.006 . 1 . . . . . 436 LEU N . 53114 1 378 . 1 . 1 108 108 PHE H H 1 8.236 0.000 . 1 . . . . . 437 PHE H . 53114 1 379 . 1 . 1 108 108 PHE C C 13 175.799 0.000 . 1 . . . . . 437 PHE C . 53114 1 380 . 1 . 1 108 108 PHE CA C 13 57.674 0.000 . 1 . . . . . 437 PHE CA . 53114 1 381 . 1 . 1 108 108 PHE N N 15 120.863 0.007 . 1 . . . . . 437 PHE N . 53114 1 382 . 1 . 1 109 109 THR H H 1 8.174 0.001 . 1 . . . . . 438 THR H . 53114 1 383 . 1 . 1 109 109 THR C C 13 174.031 0.000 . 1 . . . . . 438 THR C . 53114 1 384 . 1 . 1 109 109 THR CA C 13 61.516 0.000 . 1 . . . . . 438 THR CA . 53114 1 385 . 1 . 1 109 109 THR N N 15 116.265 0.009 . 1 . . . . . 438 THR N . 53114 1 386 . 1 . 1 110 110 ALA H H 1 8.440 0.002 . 1 . . . . . 439 ALA H . 53114 1 387 . 1 . 1 110 110 ALA C C 13 178.046 0.000 . 1 . . . . . 439 ALA C . 53114 1 388 . 1 . 1 110 110 ALA CA C 13 52.882 0.000 . 1 . . . . . 439 ALA CA . 53114 1 389 . 1 . 1 110 110 ALA N N 15 126.402 0.003 . 1 . . . . . 439 ALA N . 53114 1 390 . 1 . 1 111 111 GLU H H 1 8.496 0.001 . 1 . . . . . 440 GLU H . 53114 1 391 . 1 . 1 111 111 GLU C C 13 176.971 0.000 . 1 . . . . . 440 GLU C . 53114 1 392 . 1 . 1 111 111 GLU CA C 13 56.960 0.000 . 1 . . . . . 440 GLU CA . 53114 1 393 . 1 . 1 111 111 GLU N N 15 120.090 0.008 . 1 . . . . . 440 GLU N . 53114 1 394 . 1 . 1 112 112 GLU H H 1 8.498 0.001 . 1 . . . . . 441 GLU H . 53114 1 395 . 1 . 1 112 112 GLU C C 13 177.325 0.000 . 1 . . . . . 441 GLU C . 53114 1 396 . 1 . 1 112 112 GLU CA C 13 57.196 0.000 . 1 . . . . . 441 GLU CA . 53114 1 397 . 1 . 1 112 112 GLU N N 15 121.960 0.013 . 1 . . . . . 441 GLU N . 53114 1 398 . 1 . 1 113 113 GLY H H 1 8.543 0.001 . 1 . . . . . 442 GLY H . 53114 1 399 . 1 . 1 113 113 GLY C C 13 174.142 0.000 . 1 . . . . . 442 GLY C . 53114 1 400 . 1 . 1 113 113 GLY CA C 13 45.470 0.000 . 1 . . . . . 442 GLY CA . 53114 1 401 . 1 . 1 113 113 GLY N N 15 109.861 0.004 . 1 . . . . . 442 GLY N . 53114 1 402 . 1 . 1 114 114 GLN H H 1 8.139 0.002 . 1 . . . . . 443 GLN H . 53114 1 403 . 1 . 1 114 114 GLN C C 13 175.754 0.000 . 1 . . . . . 443 GLN C . 53114 1 404 . 1 . 1 114 114 GLN CA C 13 55.750 0.000 . 1 . . . . . 443 GLN CA . 53114 1 405 . 1 . 1 114 114 GLN N N 15 119.649 0.018 . 1 . . . . . 443 GLN N . 53114 1 406 . 1 . 1 115 115 LEU H H 1 8.269 0.010 . 1 . . . . . 444 LEU H . 53114 1 407 . 1 . 1 115 115 LEU C C 13 176.007 0.000 . 1 . . . . . 444 LEU C . 53114 1 408 . 1 . 1 115 115 LEU CA C 13 55.283 0.000 . 1 . . . . . 444 LEU CA . 53114 1 409 . 1 . 1 115 115 LEU N N 15 123.216 0.129 . 1 . . . . . 444 LEU N . 53114 1 410 . 1 . 1 116 116 TYR H H 1 8.297 0.008 . 1 . . . . . 445 TYR H . 53114 1 411 . 1 . 1 116 116 TYR CA C 13 57.424 0.000 . 1 . . . . . 445 TYR CA . 53114 1 412 . 1 . 1 116 116 TYR N N 15 120.268 0.012 . 1 . . . . . 445 TYR N . 53114 1 413 . 1 . 1 117 117 GLY H H 1 8.191 0.001 . 1 . . . . . 446 GLY H . 53114 1 414 . 1 . 1 117 117 GLY CA C 13 44.516 0.000 . 1 . . . . . 446 GLY CA . 53114 1 415 . 1 . 1 117 117 GLY N N 15 110.330 0.000 . 1 . . . . . 446 GLY N . 53114 1 416 . 1 . 1 118 118 PRO CA C 13 63.278 0.000 . 1 . . . . . 447 PRO CA . 53114 1 417 . 1 . 1 119 119 CYS H H 1 8.284 0.003 . 1 . . . . . 448 CYS H . 53114 1 418 . 1 . 1 119 119 CYS CA C 13 56.823 0.000 . 1 . . . . . 448 CYS CA . 53114 1 419 . 1 . 1 119 119 CYS N N 15 124.388 0.012 . 1 . . . . . 448 CYS N . 53114 1 stop_ save_