################################### # 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 53106 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Tau-5* C404Y' _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' . . . 53106 1 2 '3D HNCO' . . . 53106 1 3 '3D HNCA' . . . 53106 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 . . 53106 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 8.687 0.000 . 1 . . . . . 330 ALA H . 53106 1 2 . 1 . 1 1 1 ALA C C 13 177.751 0.000 . 1 . . . . . 330 ALA C . 53106 1 3 . 1 . 1 1 1 ALA CA C 13 52.367 0.007 . 1 . . . . . 330 ALA CA . 53106 1 4 . 1 . 1 1 1 ALA N N 15 125.199 0.001 . 1 . . . . . 330 ALA N . 53106 1 5 . 1 . 1 2 2 ALA H H 1 8.579 0.000 . 1 . . . . . 331 ALA H . 53106 1 6 . 1 . 1 2 2 ALA C C 13 178.493 0.000 . 1 . . . . . 331 ALA C . 53106 1 7 . 1 . 1 2 2 ALA CA C 13 52.754 0.002 . 1 . . . . . 331 ALA CA . 53106 1 8 . 1 . 1 2 2 ALA N N 15 124.267 0.004 . 1 . . . . . 331 ALA N . 53106 1 9 . 1 . 1 3 3 GLY H H 1 8.564 0.001 . 1 . . . . . 332 GLY H . 53106 1 10 . 1 . 1 3 3 GLY C C 13 174.406 0.000 . 1 . . . . . 332 GLY C . 53106 1 11 . 1 . 1 3 3 GLY CA C 13 45.228 0.003 . 1 . . . . . 332 GLY CA . 53106 1 12 . 1 . 1 3 3 GLY N N 15 108.909 0.006 . 1 . . . . . 332 GLY N . 53106 1 13 . 1 . 1 4 4 SER H H 1 8.351 0.001 . 1 . . . . . 333 SER H . 53106 1 14 . 1 . 1 4 4 SER C C 13 174.945 0.000 . 1 . . . . . 333 SER C . 53106 1 15 . 1 . 1 4 4 SER CA C 13 58.438 0.000 . 1 . . . . . 333 SER CA . 53106 1 16 . 1 . 1 4 4 SER N N 15 115.716 0.004 . 1 . . . . . 333 SER N . 53106 1 17 . 1 . 1 5 5 SER H H 1 8.631 0.002 . 1 . . . . . 334 SER H . 53106 1 18 . 1 . 1 5 5 SER C C 13 175.102 0.000 . 1 . . . . . 334 SER C . 53106 1 19 . 1 . 1 5 5 SER CA C 13 58.744 0.033 . 1 . . . . . 334 SER CA . 53106 1 20 . 1 . 1 5 5 SER N N 15 118.004 0.005 . 1 . . . . . 334 SER N . 53106 1 21 . 1 . 1 6 6 GLY H H 1 8.546 0.000 . 1 . . . . . 335 GLY H . 53106 1 22 . 1 . 1 6 6 GLY C C 13 174.228 0.000 . 1 . . . . . 335 GLY C . 53106 1 23 . 1 . 1 6 6 GLY CA C 13 45.298 0.003 . 1 . . . . . 335 GLY CA . 53106 1 24 . 1 . 1 6 6 GLY N N 15 110.988 0.005 . 1 . . . . . 335 GLY N . 53106 1 25 . 1 . 1 7 7 THR H H 1 8.164 0.000 . 1 . . . . . 336 THR H . 53106 1 26 . 1 . 1 7 7 THR C C 13 174.440 0.000 . 1 . . . . . 336 THR C . 53106 1 27 . 1 . 1 7 7 THR CA C 13 61.855 0.014 . 1 . . . . . 336 THR CA . 53106 1 28 . 1 . 1 7 7 THR N N 15 114.379 0.001 . 1 . . . . . 336 THR N . 53106 1 29 . 1 . 1 8 8 LEU H H 1 8.426 0.001 . 1 . . . . . 337 LEU H . 53106 1 30 . 1 . 1 8 8 LEU C C 13 177.083 0.000 . 1 . . . . . 337 LEU C . 53106 1 31 . 1 . 1 8 8 LEU CA C 13 55.174 0.020 . 1 . . . . . 337 LEU CA . 53106 1 32 . 1 . 1 8 8 LEU N N 15 125.061 0.006 . 1 . . . . . 337 LEU N . 53106 1 33 . 1 . 1 9 9 GLU H H 1 8.471 0.001 . 1 . . . . . 338 GLU H . 53106 1 34 . 1 . 1 9 9 GLU C C 13 176.033 0.000 . 1 . . . . . 338 GLU C . 53106 1 35 . 1 . 1 9 9 GLU CA C 13 56.107 0.002 . 1 . . . . . 338 GLU CA . 53106 1 36 . 1 . 1 9 9 GLU N N 15 122.652 0.005 . 1 . . . . . 338 GLU N . 53106 1 37 . 1 . 1 10 10 LEU H H 1 8.489 0.000 . 1 . . . . . 339 LEU H . 53106 1 38 . 1 . 1 10 10 LEU CA C 13 53.001 0.000 . 1 . . . . . 339 LEU CA . 53106 1 39 . 1 . 1 10 10 LEU N N 15 125.449 0.006 . 1 . . . . . 339 LEU N . 53106 1 40 . 1 . 1 11 11 PRO C C 13 177.102 0.000 . 1 . . . . . 340 PRO C . 53106 1 41 . 1 . 1 11 11 PRO CA C 13 63.203 0.000 . 1 . . . . . 340 PRO CA . 53106 1 42 . 1 . 1 12 12 SER H H 1 8.577 0.000 . 1 . . . . . 341 SER H . 53106 1 43 . 1 . 1 12 12 SER C C 13 175.378 0.000 . 1 . . . . . 341 SER C . 53106 1 44 . 1 . 1 12 12 SER CA C 13 58.361 0.006 . 1 . . . . . 341 SER CA . 53106 1 45 . 1 . 1 12 12 SER N N 15 116.096 0.003 . 1 . . . . . 341 SER N . 53106 1 46 . 1 . 1 13 13 THR H H 1 8.320 0.002 . 1 . . . . . 342 THR H . 53106 1 47 . 1 . 1 13 13 THR C C 13 174.817 0.000 . 1 . . . . . 342 THR C . 53106 1 48 . 1 . 1 13 13 THR CA C 13 62.421 0.028 . 1 . . . . . 342 THR CA . 53106 1 49 . 1 . 1 13 13 THR N N 15 116.451 0.010 . 1 . . . . . 342 THR N . 53106 1 50 . 1 . 1 14 14 LEU H H 1 8.221 0.001 . 1 . . . . . 343 LEU H . 53106 1 51 . 1 . 1 14 14 LEU C C 13 177.619 0.000 . 1 . . . . . 343 LEU C . 53106 1 52 . 1 . 1 14 14 LEU CA C 13 55.636 0.002 . 1 . . . . . 343 LEU CA . 53106 1 53 . 1 . 1 14 14 LEU N N 15 123.920 0.009 . 1 . . . . . 343 LEU N . 53106 1 54 . 1 . 1 15 15 SER H H 1 8.347 0.001 . 1 . . . . . 344 SER H . 53106 1 55 . 1 . 1 15 15 SER C C 13 174.684 0.000 . 1 . . . . . 344 SER C . 53106 1 56 . 1 . 1 15 15 SER CA C 13 58.631 0.000 . 1 . . . . . 344 SER CA . 53106 1 57 . 1 . 1 15 15 SER N N 15 116.643 0.004 . 1 . . . . . 344 SER N . 53106 1 58 . 1 . 1 16 16 LEU H H 1 8.239 0.000 . 1 . . . . . 345 LEU H . 53106 1 59 . 1 . 1 16 16 LEU C C 13 177.211 0.000 . 1 . . . . . 345 LEU C . 53106 1 60 . 1 . 1 16 16 LEU CA C 13 55.433 0.015 . 1 . . . . . 345 LEU CA . 53106 1 61 . 1 . 1 16 16 LEU N N 15 124.068 0.002 . 1 . . . . . 345 LEU N . 53106 1 62 . 1 . 1 17 17 TYR H H 1 8.173 0.001 . 1 . . . . . 346 TYR H . 53106 1 63 . 1 . 1 17 17 TYR C C 13 175.780 0.000 . 1 . . . . . 346 TYR C . 53106 1 64 . 1 . 1 17 17 TYR CA C 13 58.111 0.055 . 1 . . . . . 346 TYR CA . 53106 1 65 . 1 . 1 17 17 TYR N N 15 120.515 0.008 . 1 . . . . . 346 TYR N . 53106 1 66 . 1 . 1 18 18 LYS H H 1 8.236 0.001 . 1 . . . . . 347 LYS H . 53106 1 67 . 1 . 1 18 18 LYS C C 13 176.184 0.000 . 1 . . . . . 347 LYS C . 53106 1 68 . 1 . 1 18 18 LYS CA C 13 56.058 0.019 . 1 . . . . . 347 LYS CA . 53106 1 69 . 1 . 1 18 18 LYS N N 15 124.003 0.013 . 1 . . . . . 347 LYS N . 53106 1 70 . 1 . 1 19 19 SER H H 1 8.446 0.001 . 1 . . . . . 348 SER H . 53106 1 71 . 1 . 1 19 19 SER C C 13 175.215 0.000 . 1 . . . . . 348 SER C . 53106 1 72 . 1 . 1 19 19 SER CA C 13 58.675 0.014 . 1 . . . . . 348 SER CA . 53106 1 73 . 1 . 1 19 19 SER N N 15 117.443 0.008 . 1 . . . . . 348 SER N . 53106 1 74 . 1 . 1 20 20 GLY H H 1 8.568 0.001 . 1 . . . . . 349 GLY H . 53106 1 75 . 1 . 1 20 20 GLY C C 13 173.986 0.000 . 1 . . . . . 349 GLY C . 53106 1 76 . 1 . 1 20 20 GLY CA C 13 45.263 0.004 . 1 . . . . . 349 GLY CA . 53106 1 77 . 1 . 1 20 20 GLY N N 15 111.463 0.003 . 1 . . . . . 349 GLY N . 53106 1 78 . 1 . 1 21 21 ALA H H 1 8.206 0.001 . 1 . . . . . 350 ALA H . 53106 1 79 . 1 . 1 21 21 ALA C C 13 178.085 0.000 . 1 . . . . . 350 ALA C . 53106 1 80 . 1 . 1 21 21 ALA CA C 13 52.704 0.004 . 1 . . . . . 350 ALA CA . 53106 1 81 . 1 . 1 21 21 ALA N N 15 123.732 0.005 . 1 . . . . . 350 ALA N . 53106 1 82 . 1 . 1 22 22 LEU H H 1 8.389 0.001 . 1 . . . . . 351 LEU H . 53106 1 83 . 1 . 1 22 22 LEU C C 13 177.404 0.000 . 1 . . . . . 351 LEU C . 53106 1 84 . 1 . 1 22 22 LEU CA C 13 55.386 0.026 . 1 . . . . . 351 LEU CA . 53106 1 85 . 1 . 1 22 22 LEU N N 15 121.141 0.004 . 1 . . . . . 351 LEU N . 53106 1 86 . 1 . 1 23 23 ASP H H 1 8.314 0.001 . 1 . . . . . 352 ASP H . 53106 1 87 . 1 . 1 23 23 ASP C C 13 176.691 0.000 . 1 . . . . . 352 ASP C . 53106 1 88 . 1 . 1 23 23 ASP CA C 13 54.309 0.012 . 1 . . . . . 352 ASP CA . 53106 1 89 . 1 . 1 23 23 ASP N N 15 121.069 0.006 . 1 . . . . . 352 ASP N . 53106 1 90 . 1 . 1 24 24 GLU H H 1 8.459 0.001 . 1 . . . . . 353 GLU H . 53106 1 91 . 1 . 1 24 24 GLU C C 13 176.974 0.000 . 1 . . . . . 353 GLU C . 53106 1 92 . 1 . 1 24 24 GLU CA C 13 57.510 0.031 . 1 . . . . . 353 GLU CA . 53106 1 93 . 1 . 1 24 24 GLU N N 15 122.276 0.004 . 1 . . . . . 353 GLU N . 53106 1 94 . 1 . 1 25 25 ALA H H 1 8.327 0.001 . 1 . . . . . 354 ALA H . 53106 1 95 . 1 . 1 25 25 ALA C C 13 178.406 0.000 . 1 . . . . . 354 ALA C . 53106 1 96 . 1 . 1 25 25 ALA CA C 13 53.257 0.000 . 1 . . . . . 354 ALA CA . 53106 1 97 . 1 . 1 25 25 ALA N N 15 123.627 0.005 . 1 . . . . . 354 ALA N . 53106 1 98 . 1 . 1 26 26 ALA H H 1 8.090 0.001 . 1 . . . . . 355 ALA H . 53106 1 99 . 1 . 1 26 26 ALA C C 13 178.270 0.000 . 1 . . . . . 355 ALA C . 53106 1 100 . 1 . 1 26 26 ALA CA C 13 53.057 0.000 . 1 . . . . . 355 ALA CA . 53106 1 101 . 1 . 1 26 26 ALA N N 15 122.162 0.005 . 1 . . . . . 355 ALA N . 53106 1 102 . 1 . 1 27 27 ALA H H 1 8.125 0.003 . 1 . . . . . 356 ALA H . 53106 1 103 . 1 . 1 27 27 ALA C C 13 178.094 0.000 . 1 . . . . . 356 ALA C . 53106 1 104 . 1 . 1 27 27 ALA CA C 13 53.016 0.001 . 1 . . . . . 356 ALA CA . 53106 1 105 . 1 . 1 27 27 ALA N N 15 122.150 0.004 . 1 . . . . . 356 ALA N . 53106 1 106 . 1 . 1 28 28 TYR H H 1 8.045 0.000 . 1 . . . . . 357 TYR H . 53106 1 107 . 1 . 1 28 28 TYR C C 13 176.105 0.000 . 1 . . . . . 357 TYR C . 53106 1 108 . 1 . 1 28 28 TYR CA C 13 58.450 0.004 . 1 . . . . . 357 TYR CA . 53106 1 109 . 1 . 1 28 28 TYR N N 15 118.759 0.007 . 1 . . . . . 357 TYR N . 53106 1 110 . 1 . 1 29 29 GLN H H 1 8.098 0.002 . 1 . . . . . 358 GLN H . 53106 1 111 . 1 . 1 29 29 GLN C C 13 175.776 0.000 . 1 . . . . . 358 GLN C . 53106 1 112 . 1 . 1 29 29 GLN CA C 13 55.815 0.001 . 1 . . . . . 358 GLN CA . 53106 1 113 . 1 . 1 29 29 GLN N N 15 121.408 0.005 . 1 . . . . . 358 GLN N . 53106 1 114 . 1 . 1 30 30 SER H H 1 8.298 0.001 . 1 . . . . . 359 SER H . 53106 1 115 . 1 . 1 30 30 SER C C 13 174.858 0.000 . 1 . . . . . 359 SER C . 53106 1 116 . 1 . 1 30 30 SER CA C 13 58.611 0.070 . 1 . . . . . 359 SER CA . 53106 1 117 . 1 . 1 30 30 SER N N 15 116.644 0.007 . 1 . . . . . 359 SER N . 53106 1 118 . 1 . 1 31 31 ARG H H 1 8.355 0.001 . 1 . . . . . 360 ARG H . 53106 1 119 . 1 . 1 31 31 ARG C C 13 175.939 0.000 . 1 . . . . . 360 ARG C . 53106 1 120 . 1 . 1 31 31 ARG CA C 13 56.428 0.016 . 1 . . . . . 360 ARG CA . 53106 1 121 . 1 . 1 31 31 ARG N N 15 122.729 0.003 . 1 . . . . . 360 ARG N . 53106 1 122 . 1 . 1 32 32 ASP H H 1 8.332 0.001 . 1 . . . . . 361 ASP H . 53106 1 123 . 1 . 1 32 32 ASP C C 13 176.109 0.000 . 1 . . . . . 361 ASP C . 53106 1 124 . 1 . 1 32 32 ASP CA C 13 54.347 0.012 . 1 . . . . . 361 ASP CA . 53106 1 125 . 1 . 1 32 32 ASP N N 15 120.575 0.003 . 1 . . . . . 361 ASP N . 53106 1 126 . 1 . 1 33 33 TYR H H 1 8.007 0.002 . 1 . . . . . 362 TYR H . 53106 1 127 . 1 . 1 33 33 TYR C C 13 175.649 0.000 . 1 . . . . . 362 TYR C . 53106 1 128 . 1 . 1 33 33 TYR CA C 13 58.749 0.021 . 1 . . . . . 362 TYR CA . 53106 1 129 . 1 . 1 33 33 TYR N N 15 120.286 0.004 . 1 . . . . . 362 TYR N . 53106 1 130 . 1 . 1 34 34 TYR H H 1 8.000 0.001 . 1 . . . . . 363 TYR H . 53106 1 131 . 1 . 1 34 34 TYR C C 13 175.338 0.000 . 1 . . . . . 363 TYR C . 53106 1 132 . 1 . 1 34 34 TYR CA C 13 58.412 0.010 . 1 . . . . . 363 TYR CA . 53106 1 133 . 1 . 1 34 34 TYR N N 15 119.949 0.007 . 1 . . . . . 363 TYR N . 53106 1 134 . 1 . 1 35 35 ASN H H 1 8.017 0.001 . 1 . . . . . 364 ASN H . 53106 1 135 . 1 . 1 35 35 ASN C C 13 174.147 0.000 . 1 . . . . . 364 ASN C . 53106 1 136 . 1 . 1 35 35 ASN CA C 13 53.060 0.018 . 1 . . . . . 364 ASN CA . 53106 1 137 . 1 . 1 35 35 ASN N N 15 119.325 0.011 . 1 . . . . . 364 ASN N . 53106 1 138 . 1 . 1 36 36 PHE H H 1 8.044 0.001 . 1 . . . . . 365 PHE H . 53106 1 139 . 1 . 1 36 36 PHE CA C 13 55.909 0.000 . 1 . . . . . 365 PHE CA . 53106 1 140 . 1 . 1 36 36 PHE N N 15 121.286 0.004 . 1 . . . . . 365 PHE N . 53106 1 141 . 1 . 1 37 37 PRO C C 13 176.979 0.000 . 1 . . . . . 366 PRO C . 53106 1 142 . 1 . 1 37 37 PRO CA C 13 63.319 0.000 . 1 . . . . . 366 PRO CA . 53106 1 143 . 1 . 1 38 38 LEU H H 1 8.343 0.001 . 1 . . . . . 367 LEU H . 53106 1 144 . 1 . 1 38 38 LEU C C 13 177.378 0.000 . 1 . . . . . 367 LEU C . 53106 1 145 . 1 . 1 38 38 LEU CA C 13 55.209 0.002 . 1 . . . . . 367 LEU CA . 53106 1 146 . 1 . 1 38 38 LEU N N 15 122.258 0.007 . 1 . . . . . 367 LEU N . 53106 1 147 . 1 . 1 39 39 ALA H H 1 8.354 0.002 . 1 . . . . . 368 ALA H . 53106 1 148 . 1 . 1 39 39 ALA C C 13 177.624 0.000 . 1 . . . . . 368 ALA C . 53106 1 149 . 1 . 1 39 39 ALA CA C 13 52.434 0.020 . 1 . . . . . 368 ALA CA . 53106 1 150 . 1 . 1 39 39 ALA N N 15 124.843 0.016 . 1 . . . . . 368 ALA N . 53106 1 151 . 1 . 1 40 40 LEU H H 1 8.252 0.001 . 1 . . . . . 369 LEU H . 53106 1 152 . 1 . 1 40 40 LEU C C 13 177.131 0.000 . 1 . . . . . 369 LEU C . 53106 1 153 . 1 . 1 40 40 LEU CA C 13 54.973 0.034 . 1 . . . . . 369 LEU CA . 53106 1 154 . 1 . 1 40 40 LEU N N 15 121.568 0.004 . 1 . . . . . 369 LEU N . 53106 1 155 . 1 . 1 41 41 ALA H H 1 8.353 0.001 . 1 . . . . . 370 ALA H . 53106 1 156 . 1 . 1 41 41 ALA C C 13 177.720 0.000 . 1 . . . . . 370 ALA C . 53106 1 157 . 1 . 1 41 41 ALA CA C 13 52.379 0.013 . 1 . . . . . 370 ALA CA . 53106 1 158 . 1 . 1 41 41 ALA N N 15 124.953 0.001 . 1 . . . . . 370 ALA N . 53106 1 159 . 1 . 1 42 42 GLY H H 1 8.202 0.001 . 1 . . . . . 371 GLY H . 53106 1 160 . 1 . 1 42 42 GLY CA C 13 44.331 0.000 . 1 . . . . . 371 GLY CA . 53106 1 161 . 1 . 1 42 42 GLY N N 15 108.502 0.006 . 1 . . . . . 371 GLY N . 53106 1 162 . 1 . 1 50 50 PRO C C 13 176.336 0.000 . 1 . . . . . 379 PRO C . 53106 1 163 . 1 . 1 50 50 PRO CA C 13 62.801 0.000 . 1 . . . . . 379 PRO CA . 53106 1 164 . 1 . 1 51 51 HIS H H 1 8.413 0.001 . 1 . . . . . 380 HIS H . 53106 1 165 . 1 . 1 51 51 HIS CA C 13 54.493 0.000 . 1 . . . . . 380 HIS CA . 53106 1 166 . 1 . 1 51 51 HIS N N 15 121.303 0.009 . 1 . . . . . 380 HIS N . 53106 1 167 . 1 . 1 52 52 PRO C C 13 176.935 0.000 . 1 . . . . . 381 PRO C . 53106 1 168 . 1 . 1 53 53 HIS H H 1 8.866 0.003 . 1 . . . . . 382 HIS H . 53106 1 169 . 1 . 1 53 53 HIS C C 13 175.415 0.000 . 1 . . . . . 382 HIS C . 53106 1 170 . 1 . 1 53 53 HIS CA C 13 56.075 0.000 . 1 . . . . . 382 HIS CA . 53106 1 171 . 1 . 1 53 53 HIS N N 15 119.724 0.008 . 1 . . . . . 382 HIS N . 53106 1 172 . 1 . 1 54 54 ALA H H 1 8.273 0.001 . 1 . . . . . 383 ALA H . 53106 1 173 . 1 . 1 54 54 ALA C C 13 177.600 0.000 . 1 . . . . . 383 ALA C . 53106 1 174 . 1 . 1 54 54 ALA CA C 13 52.645 0.004 . 1 . . . . . 383 ALA CA . 53106 1 175 . 1 . 1 54 54 ALA N N 15 124.827 0.009 . 1 . . . . . 383 ALA N . 53106 1 176 . 1 . 1 55 55 ARG H H 1 8.506 0.002 . 1 . . . . . 384 ARG H . 53106 1 177 . 1 . 1 55 55 ARG C C 13 176.329 0.000 . 1 . . . . . 384 ARG C . 53106 1 178 . 1 . 1 55 55 ARG CA C 13 56.206 0.040 . 1 . . . . . 384 ARG CA . 53106 1 179 . 1 . 1 55 55 ARG N N 15 120.753 0.003 . 1 . . . . . 384 ARG N . 53106 1 180 . 1 . 1 56 56 ILE H H 1 8.246 0.001 . 1 . . . . . 385 ILE H . 53106 1 181 . 1 . 1 56 56 ILE C C 13 175.954 0.000 . 1 . . . . . 385 ILE C . 53106 1 182 . 1 . 1 56 56 ILE CA C 13 61.085 0.000 . 1 . . . . . 385 ILE CA . 53106 1 183 . 1 . 1 56 56 ILE N N 15 122.541 0.010 . 1 . . . . . 385 ILE N . 53106 1 184 . 1 . 1 57 57 LYS H H 1 8.479 0.004 . 1 . . . . . 386 LYS H . 53106 1 185 . 1 . 1 57 57 LYS C C 13 176.063 0.000 . 1 . . . . . 386 LYS C . 53106 1 186 . 1 . 1 57 57 LYS CA C 13 56.193 0.033 . 1 . . . . . 386 LYS CA . 53106 1 187 . 1 . 1 57 57 LYS N N 15 126.204 0.005 . 1 . . . . . 386 LYS N . 53106 1 188 . 1 . 1 58 58 LEU H H 1 8.411 0.000 . 1 . . . . . 387 LEU H . 53106 1 189 . 1 . 1 58 58 LEU C C 13 177.158 0.000 . 1 . . . . . 387 LEU C . 53106 1 190 . 1 . 1 58 58 LEU CA C 13 54.924 0.043 . 1 . . . . . 387 LEU CA . 53106 1 191 . 1 . 1 58 58 LEU N N 15 125.041 0.001 . 1 . . . . . 387 LEU N . 53106 1 192 . 1 . 1 59 59 GLU H H 1 8.545 0.003 . 1 . . . . . 388 GLU H . 53106 1 193 . 1 . 1 59 59 GLU C C 13 175.823 0.000 . 1 . . . . . 388 GLU C . 53106 1 194 . 1 . 1 59 59 GLU CA C 13 56.556 0.002 . 1 . . . . . 388 GLU CA . 53106 1 195 . 1 . 1 59 59 GLU N N 15 122.044 0.008 . 1 . . . . . 388 GLU N . 53106 1 196 . 1 . 1 60 60 ASN H H 1 8.592 0.002 . 1 . . . . . 389 ASN H . 53106 1 197 . 1 . 1 60 60 ASN CA C 13 51.061 0.000 . 1 . . . . . 389 ASN CA . 53106 1 198 . 1 . 1 60 60 ASN N N 15 120.306 0.006 . 1 . . . . . 389 ASN N . 53106 1 199 . 1 . 1 61 61 PRO C C 13 177.261 0.000 . 1 . . . . . 390 PRO C . 53106 1 200 . 1 . 1 61 61 PRO CA C 13 63.646 0.000 . 1 . . . . . 390 PRO CA . 53106 1 201 . 1 . 1 62 62 LEU H H 1 8.211 0.001 . 1 . . . . . 391 LEU H . 53106 1 202 . 1 . 1 62 62 LEU C C 13 177.289 0.000 . 1 . . . . . 391 LEU C . 53106 1 203 . 1 . 1 62 62 LEU CA C 13 55.436 0.022 . 1 . . . . . 391 LEU CA . 53106 1 204 . 1 . 1 62 62 LEU N N 15 119.822 0.006 . 1 . . . . . 391 LEU N . 53106 1 205 . 1 . 1 63 63 ASP H H 1 8.019 0.003 . 1 . . . . . 392 ASP H . 53106 1 206 . 1 . 1 63 63 ASP C C 13 176.208 0.000 . 1 . . . . . 392 ASP C . 53106 1 207 . 1 . 1 63 63 ASP CA C 13 54.134 0.062 . 1 . . . . . 392 ASP CA . 53106 1 208 . 1 . 1 63 63 ASP N N 15 119.874 0.005 . 1 . . . . . 392 ASP N . 53106 1 209 . 1 . 1 64 64 TYR H H 1 8.085 0.002 . 1 . . . . . 393 TYR H . 53106 1 210 . 1 . 1 64 64 TYR C C 13 176.799 0.000 . 1 . . . . . 393 TYR C . 53106 1 211 . 1 . 1 64 64 TYR CA C 13 58.857 0.026 . 1 . . . . . 393 TYR CA . 53106 1 212 . 1 . 1 64 64 TYR N N 15 121.130 0.006 . 1 . . . . . 393 TYR N . 53106 1 213 . 1 . 1 65 65 GLY H H 1 8.449 0.003 . 1 . . . . . 394 GLY H . 53106 1 214 . 1 . 1 65 65 GLY C C 13 174.960 0.000 . 1 . . . . . 394 GLY C . 53106 1 215 . 1 . 1 65 65 GLY CA C 13 45.681 0.013 . 1 . . . . . 394 GLY CA . 53106 1 216 . 1 . 1 65 65 GLY N N 15 109.556 0.011 . 1 . . . . . 394 GLY N . 53106 1 217 . 1 . 1 66 66 SER H H 1 8.235 0.001 . 1 . . . . . 395 SER H . 53106 1 218 . 1 . 1 66 66 SER C C 13 175.558 0.000 . 1 . . . . . 395 SER C . 53106 1 219 . 1 . 1 66 66 SER CA C 13 59.512 0.004 . 1 . . . . . 395 SER CA . 53106 1 220 . 1 . 1 66 66 SER N N 15 116.187 0.009 . 1 . . . . . 395 SER N . 53106 1 221 . 1 . 1 67 67 ALA H H 1 8.531 0.002 . 1 . . . . . 396 ALA H . 53106 1 222 . 1 . 1 67 67 ALA C C 13 179.092 0.000 . 1 . . . . . 396 ALA C . 53106 1 223 . 1 . 1 67 67 ALA CA C 13 53.983 0.006 . 1 . . . . . 396 ALA CA . 53106 1 224 . 1 . 1 67 67 ALA N N 15 125.869 0.012 . 1 . . . . . 396 ALA N . 53106 1 225 . 1 . 1 68 68 TRP H H 1 8.185 0.002 . 1 . . . . . 397 TRP H . 53106 1 226 . 1 . 1 68 68 TRP C C 13 177.150 0.000 . 1 . . . . . 397 TRP C . 53106 1 227 . 1 . 1 68 68 TRP CA C 13 58.935 0.007 . 1 . . . . . 397 TRP CA . 53106 1 228 . 1 . 1 68 68 TRP N N 15 119.938 0.004 . 1 . . . . . 397 TRP N . 53106 1 229 . 1 . 1 69 69 ALA H H 1 7.946 0.002 . 1 . . . . . 398 ALA H . 53106 1 230 . 1 . 1 69 69 ALA C C 13 178.870 0.000 . 1 . . . . . 398 ALA C . 53106 1 231 . 1 . 1 69 69 ALA CA C 13 53.889 0.000 . 1 . . . . . 398 ALA CA . 53106 1 232 . 1 . 1 69 69 ALA N N 15 123.584 0.016 . 1 . . . . . 398 ALA N . 53106 1 233 . 1 . 1 70 70 ALA H H 1 7.986 0.002 . 1 . . . . . 399 ALA H . 53106 1 234 . 1 . 1 70 70 ALA C C 13 178.936 0.000 . 1 . . . . . 399 ALA C . 53106 1 235 . 1 . 1 70 70 ALA CA C 13 53.696 0.000 . 1 . . . . . 399 ALA CA . 53106 1 236 . 1 . 1 70 70 ALA N N 15 121.672 0.005 . 1 . . . . . 399 ALA N . 53106 1 237 . 1 . 1 71 71 ALA H H 1 7.945 0.001 . 1 . . . . . 400 ALA H . 53106 1 238 . 1 . 1 71 71 ALA C C 13 178.790 0.000 . 1 . . . . . 400 ALA C . 53106 1 239 . 1 . 1 71 71 ALA CA C 13 53.552 0.000 . 1 . . . . . 400 ALA CA . 53106 1 240 . 1 . 1 71 71 ALA N N 15 121.835 0.006 . 1 . . . . . 400 ALA N . 53106 1 241 . 1 . 1 72 72 ALA H H 1 8.095 0.001 . 1 . . . . . 401 ALA H . 53106 1 242 . 1 . 1 72 72 ALA C C 13 178.667 0.000 . 1 . . . . . 401 ALA C . 53106 1 243 . 1 . 1 72 72 ALA CA C 13 53.437 0.000 . 1 . . . . . 401 ALA CA . 53106 1 244 . 1 . 1 72 72 ALA N N 15 121.610 0.001 . 1 . . . . . 401 ALA N . 53106 1 245 . 1 . 1 73 73 ALA H H 1 7.909 0.001 . 1 . . . . . 402 ALA H . 53106 1 246 . 1 . 1 73 73 ALA C C 13 178.278 0.000 . 1 . . . . . 402 ALA C . 53106 1 247 . 1 . 1 73 73 ALA CA C 13 53.338 0.047 . 1 . . . . . 402 ALA CA . 53106 1 248 . 1 . 1 73 73 ALA N N 15 121.087 0.013 . 1 . . . . . 402 ALA N . 53106 1 249 . 1 . 1 74 74 GLN H H 1 7.959 0.003 . 1 . . . . . 403 GLN H . 53106 1 250 . 1 . 1 74 74 GLN C C 13 176.186 0.000 . 1 . . . . . 403 GLN C . 53106 1 251 . 1 . 1 74 74 GLN CA C 13 56.437 0.007 . 1 . . . . . 403 GLN CA . 53106 1 252 . 1 . 1 74 74 GLN N N 15 117.490 0.014 . 1 . . . . . 403 GLN N . 53106 1 253 . 1 . 1 75 75 TYR H H 1 8.006 0.003 . 1 . . . . . 404 TYR H . 53106 1 254 . 1 . 1 75 75 TYR C C 13 175.854 0.000 . 1 . . . . . 404 TYR C . 53106 1 255 . 1 . 1 75 75 TYR CA C 13 58.489 0.000 . 1 . . . . . 404 TYR CA . 53106 1 256 . 1 . 1 75 75 TYR N N 15 120.145 0.008 . 1 . . . . . 404 TYR N . 53106 1 257 . 1 . 1 76 76 ARG H H 1 8.061 0.002 . 1 . . . . . 405 ARG H . 53106 1 258 . 1 . 1 76 76 ARG C C 13 175.880 0.000 . 1 . . . . . 405 ARG C . 53106 1 259 . 1 . 1 76 76 ARG CA C 13 56.127 0.020 . 1 . . . . . 405 ARG CA . 53106 1 260 . 1 . 1 76 76 ARG N N 15 121.992 0.016 . 1 . . . . . 405 ARG N . 53106 1 261 . 1 . 1 77 77 TYR H H 1 8.145 0.001 . 1 . . . . . 406 TYR H . 53106 1 262 . 1 . 1 77 77 TYR C C 13 176.593 0.000 . 1 . . . . . 406 TYR C . 53106 1 263 . 1 . 1 77 77 TYR CA C 13 58.473 0.017 . 1 . . . . . 406 TYR CA . 53106 1 264 . 1 . 1 77 77 TYR N N 15 120.283 0.004 . 1 . . . . . 406 TYR N . 53106 1 265 . 1 . 1 78 78 GLY H H 1 8.290 0.002 . 1 . . . . . 407 GLY H . 53106 1 266 . 1 . 1 78 78 GLY C C 13 173.946 0.000 . 1 . . . . . 407 GLY C . 53106 1 267 . 1 . 1 78 78 GLY CA C 13 45.346 0.019 . 1 . . . . . 407 GLY CA . 53106 1 268 . 1 . 1 78 78 GLY N N 15 110.245 0.010 . 1 . . . . . 407 GLY N . 53106 1 269 . 1 . 1 79 79 ASP H H 1 8.236 0.002 . 1 . . . . . 408 ASP H . 53106 1 270 . 1 . 1 79 79 ASP C C 13 176.853 0.000 . 1 . . . . . 408 ASP C . 53106 1 271 . 1 . 1 79 79 ASP CA C 13 54.420 0.008 . 1 . . . . . 408 ASP CA . 53106 1 272 . 1 . 1 79 79 ASP N N 15 120.624 0.003 . 1 . . . . . 408 ASP N . 53106 1 273 . 1 . 1 80 80 LEU H H 1 8.324 0.000 . 1 . . . . . 409 LEU H . 53106 1 274 . 1 . 1 80 80 LEU C C 13 177.925 0.000 . 1 . . . . . 409 LEU C . 53106 1 275 . 1 . 1 80 80 LEU CA C 13 56.012 0.032 . 1 . . . . . 409 LEU CA . 53106 1 276 . 1 . 1 80 80 LEU N N 15 122.721 0.007 . 1 . . . . . 409 LEU N . 53106 1 277 . 1 . 1 81 81 ALA H H 1 8.300 0.002 . 1 . . . . . 410 ALA H . 53106 1 278 . 1 . 1 81 81 ALA C C 13 178.594 0.000 . 1 . . . . . 410 ALA C . 53106 1 279 . 1 . 1 81 81 ALA CA C 13 53.464 0.019 . 1 . . . . . 410 ALA CA . 53106 1 280 . 1 . 1 81 81 ALA N N 15 123.139 0.009 . 1 . . . . . 410 ALA N . 53106 1 281 . 1 . 1 82 82 SER H H 1 8.088 0.001 . 1 . . . . . 411 SER H . 53106 1 282 . 1 . 1 82 82 SER C C 13 175.028 0.000 . 1 . . . . . 411 SER C . 53106 1 283 . 1 . 1 82 82 SER CA C 13 58.889 0.013 . 1 . . . . . 411 SER CA . 53106 1 284 . 1 . 1 82 82 SER N N 15 113.777 0.009 . 1 . . . . . 411 SER N . 53106 1 285 . 1 . 1 83 83 LEU H H 1 8.055 0.001 . 1 . . . . . 412 LEU H . 53106 1 286 . 1 . 1 83 83 LEU C C 13 177.524 0.000 . 1 . . . . . 412 LEU C . 53106 1 287 . 1 . 1 83 83 LEU CA C 13 55.690 0.015 . 1 . . . . . 412 LEU CA . 53106 1 288 . 1 . 1 83 83 LEU N N 15 123.279 0.005 . 1 . . . . . 412 LEU N . 53106 1 289 . 1 . 1 84 84 HIS H H 1 8.203 0.001 . 1 . . . . . 413 HIS H . 53106 1 290 . 1 . 1 84 84 HIS C C 13 176.042 0.000 . 1 . . . . . 413 HIS C . 53106 1 291 . 1 . 1 84 84 HIS CA C 13 56.367 0.030 . 1 . . . . . 413 HIS CA . 53106 1 292 . 1 . 1 84 84 HIS N N 15 118.703 0.004 . 1 . . . . . 413 HIS N . 53106 1 293 . 1 . 1 85 85 GLY H H 1 8.318 0.001 . 1 . . . . . 414 GLY H . 53106 1 294 . 1 . 1 85 85 GLY C C 13 174.092 0.000 . 1 . . . . . 414 GLY C . 53106 1 295 . 1 . 1 85 85 GLY CA C 13 45.333 0.008 . 1 . . . . . 414 GLY CA . 53106 1 296 . 1 . 1 85 85 GLY N N 15 109.807 0.003 . 1 . . . . . 414 GLY N . 53106 1 297 . 1 . 1 86 86 ALA H H 1 8.331 0.001 . 1 . . . . . 415 ALA H . 53106 1 298 . 1 . 1 86 86 ALA C C 13 178.426 0.000 . 1 . . . . . 415 ALA C . 53106 1 299 . 1 . 1 86 86 ALA CA C 13 52.775 0.010 . 1 . . . . . 415 ALA CA . 53106 1 300 . 1 . 1 86 86 ALA N N 15 123.879 0.003 . 1 . . . . . 415 ALA N . 53106 1 301 . 1 . 1 87 87 GLY H H 1 8.485 0.002 . 1 . . . . . 416 GLY H . 53106 1 302 . 1 . 1 87 87 GLY C C 13 174.035 0.000 . 1 . . . . . 416 GLY C . 53106 1 303 . 1 . 1 87 87 GLY CA C 13 45.200 0.006 . 1 . . . . . 416 GLY CA . 53106 1 304 . 1 . 1 87 87 GLY N N 15 108.262 0.010 . 1 . . . . . 416 GLY N . 53106 1 305 . 1 . 1 88 88 ALA H H 1 8.181 0.001 . 1 . . . . . 417 ALA H . 53106 1 306 . 1 . 1 88 88 ALA C C 13 177.486 0.000 . 1 . . . . . 417 ALA C . 53106 1 307 . 1 . 1 88 88 ALA CA C 13 52.504 0.000 . 1 . . . . . 417 ALA CA . 53106 1 308 . 1 . 1 88 88 ALA N N 15 123.824 0.010 . 1 . . . . . 417 ALA N . 53106 1 309 . 1 . 1 89 89 ALA H H 1 8.369 0.001 . 1 . . . . . 418 ALA H . 53106 1 310 . 1 . 1 89 89 ALA C C 13 177.879 0.000 . 1 . . . . . 418 ALA C . 53106 1 311 . 1 . 1 89 89 ALA CA C 13 52.324 0.022 . 1 . . . . . 418 ALA CA . 53106 1 312 . 1 . 1 89 89 ALA N N 15 123.056 0.006 . 1 . . . . . 418 ALA N . 53106 1 313 . 1 . 1 90 90 GLY H H 1 8.217 0.001 . 1 . . . . . 419 GLY H . 53106 1 314 . 1 . 1 90 90 GLY CA C 13 44.499 0.000 . 1 . . . . . 419 GLY CA . 53106 1 315 . 1 . 1 90 90 GLY N N 15 108.079 0.004 . 1 . . . . . 419 GLY N . 53106 1 316 . 1 . 1 91 91 PRO C C 13 177.853 0.000 . 1 . . . . . 420 PRO C . 53106 1 317 . 1 . 1 91 91 PRO CA C 13 63.572 0.000 . 1 . . . . . 420 PRO CA . 53106 1 318 . 1 . 1 92 92 GLY H H 1 8.694 0.001 . 1 . . . . . 421 GLY H . 53106 1 319 . 1 . 1 92 92 GLY C C 13 174.461 0.000 . 1 . . . . . 421 GLY C . 53106 1 320 . 1 . 1 92 92 GLY CA C 13 45.256 0.001 . 1 . . . . . 421 GLY CA . 53106 1 321 . 1 . 1 92 92 GLY N N 15 110.115 0.002 . 1 . . . . . 421 GLY N . 53106 1 322 . 1 . 1 93 93 SER H H 1 8.301 0.001 . 1 . . . . . 422 SER H . 53106 1 323 . 1 . 1 93 93 SER C C 13 175.147 0.000 . 1 . . . . . 422 SER C . 53106 1 324 . 1 . 1 93 93 SER CA C 13 58.670 0.004 . 1 . . . . . 422 SER CA . 53106 1 325 . 1 . 1 93 93 SER N N 15 115.638 0.007 . 1 . . . . . 422 SER N . 53106 1 326 . 1 . 1 94 94 GLY H H 1 8.591 0.001 . 1 . . . . . 423 GLY H . 53106 1 327 . 1 . 1 94 94 GLY C C 13 173.823 0.000 . 1 . . . . . 423 GLY C . 53106 1 328 . 1 . 1 94 94 GLY CA C 13 45.060 0.001 . 1 . . . . . 423 GLY CA . 53106 1 329 . 1 . 1 94 94 GLY N N 15 110.920 0.006 . 1 . . . . . 423 GLY N . 53106 1 330 . 1 . 1 95 95 SER H H 1 8.273 0.001 . 1 . . . . . 424 SER H . 53106 1 331 . 1 . 1 95 95 SER CA C 13 56.445 0.000 . 1 . . . . . 424 SER CA . 53106 1 332 . 1 . 1 95 95 SER N N 15 116.893 0.003 . 1 . . . . . 424 SER N . 53106 1 333 . 1 . 1 96 96 PRO C C 13 177.178 0.000 . 1 . . . . . 425 PRO C . 53106 1 334 . 1 . 1 96 96 PRO CA C 13 63.494 0.000 . 1 . . . . . 425 PRO CA . 53106 1 335 . 1 . 1 97 97 SER H H 1 8.442 0.002 . 1 . . . . . 426 SER H . 53106 1 336 . 1 . 1 97 97 SER C C 13 174.579 0.000 . 1 . . . . . 426 SER C . 53106 1 337 . 1 . 1 97 97 SER CA C 13 58.356 0.016 . 1 . . . . . 426 SER CA . 53106 1 338 . 1 . 1 97 97 SER N N 15 115.903 0.006 . 1 . . . . . 426 SER N . 53106 1 339 . 1 . 1 98 98 ALA H H 1 8.410 0.001 . 1 . . . . . 427 ALA H . 53106 1 340 . 1 . 1 98 98 ALA C C 13 177.800 0.000 . 1 . . . . . 427 ALA C . 53106 1 341 . 1 . 1 98 98 ALA CA C 13 52.772 0.000 . 1 . . . . . 427 ALA CA . 53106 1 342 . 1 . 1 98 98 ALA N N 15 126.344 0.002 . 1 . . . . . 427 ALA N . 53106 1 343 . 1 . 1 99 99 ALA H H 1 8.289 0.001 . 1 . . . . . 428 ALA H . 53106 1 344 . 1 . 1 99 99 ALA C C 13 177.920 0.000 . 1 . . . . . 428 ALA C . 53106 1 345 . 1 . 1 99 99 ALA CA C 13 52.707 0.000 . 1 . . . . . 428 ALA CA . 53106 1 346 . 1 . 1 99 99 ALA N N 15 122.941 0.004 . 1 . . . . . 428 ALA N . 53106 1 347 . 1 . 1 100 100 ALA H H 1 8.303 0.001 . 1 . . . . . 429 ALA H . 53106 1 348 . 1 . 1 100 100 ALA C C 13 178.136 0.000 . 1 . . . . . 429 ALA C . 53106 1 349 . 1 . 1 100 100 ALA CA C 13 52.726 0.016 . 1 . . . . . 429 ALA CA . 53106 1 350 . 1 . 1 100 100 ALA N N 15 123.108 0.037 . 1 . . . . . 429 ALA N . 53106 1 351 . 1 . 1 101 101 SER H H 1 8.279 0.002 . 1 . . . . . 430 SER H . 53106 1 352 . 1 . 1 101 101 SER C C 13 174.913 0.000 . 1 . . . . . 430 SER C . 53106 1 353 . 1 . 1 101 101 SER CA C 13 58.525 0.000 . 1 . . . . . 430 SER CA . 53106 1 354 . 1 . 1 101 101 SER N N 15 114.736 0.002 . 1 . . . . . 430 SER N . 53106 1 355 . 1 . 1 102 102 SER H H 1 8.382 0.004 . 1 . . . . . 431 SER H . 53106 1 356 . 1 . 1 102 102 SER C C 13 174.771 0.000 . 1 . . . . . 431 SER C . 53106 1 357 . 1 . 1 102 102 SER CA C 13 58.772 0.000 . 1 . . . . . 431 SER CA . 53106 1 358 . 1 . 1 102 102 SER N N 15 117.762 0.012 . 1 . . . . . 431 SER N . 53106 1 359 . 1 . 1 103 103 SER H H 1 8.348 0.001 . 1 . . . . . 432 SER H . 53106 1 360 . 1 . 1 103 103 SER C C 13 174.518 0.000 . 1 . . . . . 432 SER C . 53106 1 361 . 1 . 1 103 103 SER CA C 13 58.705 0.016 . 1 . . . . . 432 SER CA . 53106 1 362 . 1 . 1 103 103 SER N N 15 117.470 0.006 . 1 . . . . . 432 SER N . 53106 1 363 . 1 . 1 104 104 TRP H H 1 8.082 0.001 . 1 . . . . . 433 TRP H . 53106 1 364 . 1 . 1 104 104 TRP C C 13 176.132 0.000 . 1 . . . . . 433 TRP C . 53106 1 365 . 1 . 1 104 104 TRP CA C 13 57.784 0.000 . 1 . . . . . 433 TRP CA . 53106 1 366 . 1 . 1 104 104 TRP N N 15 122.644 0.004 . 1 . . . . . 433 TRP N . 53106 1 367 . 1 . 1 105 105 HIS H H 1 7.931 0.002 . 1 . . . . . 434 HIS H . 53106 1 368 . 1 . 1 105 105 HIS C C 13 175.411 0.000 . 1 . . . . . 434 HIS C . 53106 1 369 . 1 . 1 105 105 HIS CA C 13 56.692 0.029 . 1 . . . . . 434 HIS CA . 53106 1 370 . 1 . 1 105 105 HIS N N 15 119.795 0.005 . 1 . . . . . 434 HIS N . 53106 1 371 . 1 . 1 106 106 THR H H 1 7.962 0.003 . 1 . . . . . 435 THR H . 53106 1 372 . 1 . 1 106 106 THR C C 13 174.331 0.000 . 1 . . . . . 435 THR C . 53106 1 373 . 1 . 1 106 106 THR CA C 13 62.363 0.033 . 1 . . . . . 435 THR CA . 53106 1 374 . 1 . 1 106 106 THR N N 15 114.940 0.008 . 1 . . . . . 435 THR N . 53106 1 375 . 1 . 1 107 107 LEU H H 1 8.189 0.000 . 1 . . . . . 436 LEU H . 53106 1 376 . 1 . 1 107 107 LEU C C 13 176.944 0.000 . 1 . . . . . 436 LEU C . 53106 1 377 . 1 . 1 107 107 LEU CA C 13 55.370 0.039 . 1 . . . . . 436 LEU CA . 53106 1 378 . 1 . 1 107 107 LEU N N 15 123.966 0.001 . 1 . . . . . 436 LEU N . 53106 1 379 . 1 . 1 108 108 PHE H H 1 8.218 0.002 . 1 . . . . . 437 PHE H . 53106 1 380 . 1 . 1 108 108 PHE C C 13 175.806 0.000 . 1 . . . . . 437 PHE C . 53106 1 381 . 1 . 1 108 108 PHE CA C 13 57.667 0.022 . 1 . . . . . 437 PHE CA . 53106 1 382 . 1 . 1 108 108 PHE N N 15 120.672 0.010 . 1 . . . . . 437 PHE N . 53106 1 383 . 1 . 1 109 109 THR H H 1 8.165 0.001 . 1 . . . . . 438 THR H . 53106 1 384 . 1 . 1 109 109 THR C C 13 174.034 0.000 . 1 . . . . . 438 THR C . 53106 1 385 . 1 . 1 109 109 THR CA C 13 61.506 0.043 . 1 . . . . . 438 THR CA . 53106 1 386 . 1 . 1 109 109 THR N N 15 116.056 0.006 . 1 . . . . . 438 THR N . 53106 1 387 . 1 . 1 110 110 ALA H H 1 8.431 0.002 . 1 . . . . . 439 ALA H . 53106 1 388 . 1 . 1 110 110 ALA C C 13 178.032 0.000 . 1 . . . . . 439 ALA C . 53106 1 389 . 1 . 1 110 110 ALA CA C 13 52.825 0.020 . 1 . . . . . 439 ALA CA . 53106 1 390 . 1 . 1 110 110 ALA N N 15 126.340 0.004 . 1 . . . . . 439 ALA N . 53106 1 391 . 1 . 1 111 111 GLU H H 1 8.491 0.001 . 1 . . . . . 440 GLU H . 53106 1 392 . 1 . 1 111 111 GLU C C 13 176.957 0.000 . 1 . . . . . 440 GLU C . 53106 1 393 . 1 . 1 111 111 GLU CA C 13 56.929 0.000 . 1 . . . . . 440 GLU CA . 53106 1 394 . 1 . 1 111 111 GLU N N 15 120.068 0.004 . 1 . . . . . 440 GLU N . 53106 1 395 . 1 . 1 112 112 GLU H H 1 8.498 0.000 . 1 . . . . . 441 GLU H . 53106 1 396 . 1 . 1 112 112 GLU C C 13 177.306 0.000 . 1 . . . . . 441 GLU C . 53106 1 397 . 1 . 1 112 112 GLU CA C 13 57.211 0.000 . 1 . . . . . 441 GLU CA . 53106 1 398 . 1 . 1 112 112 GLU N N 15 121.952 0.004 . 1 . . . . . 441 GLU N . 53106 1 399 . 1 . 1 113 113 GLY H H 1 8.535 0.001 . 1 . . . . . 442 GLY H . 53106 1 400 . 1 . 1 113 113 GLY C C 13 174.183 0.000 . 1 . . . . . 442 GLY C . 53106 1 401 . 1 . 1 113 113 GLY CA C 13 45.448 0.000 . 1 . . . . . 442 GLY CA . 53106 1 402 . 1 . 1 113 113 GLY N N 15 109.795 0.004 . 1 . . . . . 442 GLY N . 53106 1 403 . 1 . 1 114 114 GLN H H 1 8.139 0.000 . 1 . . . . . 443 GLN H . 53106 1 404 . 1 . 1 114 114 GLN C C 13 175.824 0.000 . 1 . . . . . 443 GLN C . 53106 1 405 . 1 . 1 114 114 GLN CA C 13 55.637 0.082 . 1 . . . . . 443 GLN CA . 53106 1 406 . 1 . 1 114 114 GLN N N 15 119.602 0.005 . 1 . . . . . 443 GLN N . 53106 1 407 . 1 . 1 115 115 LEU H H 1 8.263 0.001 . 1 . . . . . 444 LEU H . 53106 1 408 . 1 . 1 115 115 LEU C C 13 177.010 0.000 . 1 . . . . . 444 LEU C . 53106 1 409 . 1 . 1 115 115 LEU CA C 13 55.243 0.004 . 1 . . . . . 444 LEU CA . 53106 1 410 . 1 . 1 115 115 LEU N N 15 123.171 0.003 . 1 . . . . . 444 LEU N . 53106 1 411 . 1 . 1 116 116 TYR H H 1 8.286 0.001 . 1 . . . . . 445 TYR H . 53106 1 412 . 1 . 1 116 116 TYR C C 13 175.894 0.000 . 1 . . . . . 445 TYR C . 53106 1 413 . 1 . 1 116 116 TYR CA C 13 57.451 0.003 . 1 . . . . . 445 TYR CA . 53106 1 414 . 1 . 1 116 116 TYR N N 15 120.119 0.004 . 1 . . . . . 445 TYR N . 53106 1 415 . 1 . 1 117 117 GLY H H 1 8.177 0.001 . 1 . . . . . 446 GLY H . 53106 1 416 . 1 . 1 117 117 GLY CA C 13 44.514 0.000 . 1 . . . . . 446 GLY CA . 53106 1 417 . 1 . 1 117 117 GLY N N 15 110.218 0.005 . 1 . . . . . 446 GLY N . 53106 1 418 . 1 . 1 118 118 PRO C C 13 176.437 0.000 . 1 . . . . . 447 PRO C . 53106 1 419 . 1 . 1 118 118 PRO CA C 13 63.294 0.000 . 1 . . . . . 447 PRO CA . 53106 1 420 . 1 . 1 119 119 CYS H H 1 8.186 0.002 . 1 . . . . . 448 CYS H . 53106 1 421 . 1 . 1 119 119 CYS CA C 13 59.478 0.000 . 1 . . . . . 448 CYS CA . 53106 1 422 . 1 . 1 119 119 CYS N N 15 123.847 0.007 . 1 . . . . . 448 CYS N . 53106 1 stop_ save_