################################### # 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 53113 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Tau-5* C404S dimer' _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' . . . 53113 1 2 '3D HNCO' . . . 53113 1 3 '3D HNCA' . . . 53113 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 . . 53113 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 8.691 0.001 . 1 . . . . . 330 ALA H . 53113 1 2 . 1 . 1 1 1 ALA C C 13 177.757 0.000 . 1 . . . . . 330 ALA C . 53113 1 3 . 1 . 1 1 1 ALA CA C 13 52.361 0.000 . 1 . . . . . 330 ALA CA . 53113 1 4 . 1 . 1 1 1 ALA N N 15 125.215 0.000 . 1 . . . . . 330 ALA N . 53113 1 5 . 1 . 1 2 2 ALA H H 1 8.584 0.000 . 1 . . . . . 331 ALA H . 53113 1 6 . 1 . 1 2 2 ALA C C 13 178.492 0.000 . 1 . . . . . 331 ALA C . 53113 1 7 . 1 . 1 2 2 ALA CA C 13 52.689 0.000 . 1 . . . . . 331 ALA CA . 53113 1 8 . 1 . 1 2 2 ALA N N 15 124.298 0.005 . 1 . . . . . 331 ALA N . 53113 1 9 . 1 . 1 3 3 GLY H H 1 8.568 0.001 . 1 . . . . . 332 GLY H . 53113 1 10 . 1 . 1 3 3 GLY C C 13 174.409 0.000 . 1 . . . . . 332 GLY C . 53113 1 11 . 1 . 1 3 3 GLY CA C 13 45.204 0.000 . 1 . . . . . 332 GLY CA . 53113 1 12 . 1 . 1 3 3 GLY N N 15 108.934 0.002 . 1 . . . . . 332 GLY N . 53113 1 13 . 1 . 1 4 4 SER H H 1 8.352 0.002 . 1 . . . . . 333 SER H . 53113 1 14 . 1 . 1 4 4 SER CA C 13 58.425 0.000 . 1 . . . . . 333 SER CA . 53113 1 15 . 1 . 1 4 4 SER N N 15 115.723 0.004 . 1 . . . . . 333 SER N . 53113 1 16 . 1 . 1 5 5 SER H H 1 8.636 0.005 . 1 . . . . . 334 SER H . 53113 1 17 . 1 . 1 5 5 SER C C 13 175.110 0.000 . 1 . . . . . 334 SER C . 53113 1 18 . 1 . 1 5 5 SER CA C 13 58.742 0.000 . 1 . . . . . 334 SER CA . 53113 1 19 . 1 . 1 5 5 SER N N 15 118.020 0.003 . 1 . . . . . 334 SER N . 53113 1 20 . 1 . 1 6 6 GLY H H 1 8.550 0.001 . 1 . . . . . 335 GLY H . 53113 1 21 . 1 . 1 6 6 GLY C C 13 174.237 0.000 . 1 . . . . . 335 GLY C . 53113 1 22 . 1 . 1 6 6 GLY CA C 13 45.315 0.000 . 1 . . . . . 335 GLY CA . 53113 1 23 . 1 . 1 6 6 GLY N N 15 111.013 0.006 . 1 . . . . . 335 GLY N . 53113 1 24 . 1 . 1 7 7 THR H H 1 8.168 0.001 . 1 . . . . . 336 THR H . 53113 1 25 . 1 . 1 7 7 THR C C 13 174.439 0.000 . 1 . . . . . 336 THR C . 53113 1 26 . 1 . 1 7 7 THR CA C 13 61.851 0.000 . 1 . . . . . 336 THR CA . 53113 1 27 . 1 . 1 7 7 THR N N 15 114.391 0.004 . 1 . . . . . 336 THR N . 53113 1 28 . 1 . 1 8 8 LEU H H 1 8.430 0.001 . 1 . . . . . 337 LEU H . 53113 1 29 . 1 . 1 8 8 LEU C C 13 177.093 0.000 . 1 . . . . . 337 LEU C . 53113 1 30 . 1 . 1 8 8 LEU CA C 13 55.157 0.000 . 1 . . . . . 337 LEU CA . 53113 1 31 . 1 . 1 8 8 LEU N N 15 125.085 0.003 . 1 . . . . . 337 LEU N . 53113 1 32 . 1 . 1 9 9 GLU H H 1 8.473 0.001 . 1 . . . . . 338 GLU H . 53113 1 33 . 1 . 1 9 9 GLU C C 13 176.044 0.000 . 1 . . . . . 338 GLU C . 53113 1 34 . 1 . 1 9 9 GLU CA C 13 56.122 0.000 . 1 . . . . . 338 GLU CA . 53113 1 35 . 1 . 1 9 9 GLU N N 15 122.663 0.005 . 1 . . . . . 338 GLU N . 53113 1 36 . 1 . 1 10 10 LEU H H 1 8.495 0.001 . 1 . . . . . 339 LEU H . 53113 1 37 . 1 . 1 10 10 LEU CA C 13 53.000 0.000 . 1 . . . . . 339 LEU CA . 53113 1 38 . 1 . 1 10 10 LEU N N 15 125.470 0.007 . 1 . . . . . 339 LEU N . 53113 1 39 . 1 . 1 11 11 PRO C C 13 177.101 0.000 . 1 . . . . . 340 PRO C . 53113 1 40 . 1 . 1 11 11 PRO CA C 13 63.173 0.000 . 1 . . . . . 340 PRO CA . 53113 1 41 . 1 . 1 12 12 SER H H 1 8.582 0.001 . 1 . . . . . 341 SER H . 53113 1 42 . 1 . 1 12 12 SER C C 13 175.383 0.000 . 1 . . . . . 341 SER C . 53113 1 43 . 1 . 1 12 12 SER CA C 13 58.398 0.000 . 1 . . . . . 341 SER CA . 53113 1 44 . 1 . 1 12 12 SER N N 15 116.125 0.003 . 1 . . . . . 341 SER N . 53113 1 45 . 1 . 1 13 13 THR H H 1 8.330 0.001 . 1 . . . . . 342 THR H . 53113 1 46 . 1 . 1 13 13 THR C C 13 174.816 0.000 . 1 . . . . . 342 THR C . 53113 1 47 . 1 . 1 13 13 THR CA C 13 62.433 0.000 . 1 . . . . . 342 THR CA . 53113 1 48 . 1 . 1 13 13 THR N N 15 116.486 0.006 . 1 . . . . . 342 THR N . 53113 1 49 . 1 . 1 14 14 LEU H H 1 8.225 0.001 . 1 . . . . . 343 LEU H . 53113 1 50 . 1 . 1 14 14 LEU C C 13 177.621 0.000 . 1 . . . . . 343 LEU C . 53113 1 51 . 1 . 1 14 14 LEU CA C 13 55.610 0.000 . 1 . . . . . 343 LEU CA . 53113 1 52 . 1 . 1 14 14 LEU N N 15 123.944 0.007 . 1 . . . . . 343 LEU N . 53113 1 53 . 1 . 1 15 15 SER H H 1 8.353 0.000 . 1 . . . . . 344 SER H . 53113 1 54 . 1 . 1 15 15 SER C C 13 174.689 0.000 . 1 . . . . . 344 SER C . 53113 1 55 . 1 . 1 15 15 SER CA C 13 58.588 0.000 . 1 . . . . . 344 SER CA . 53113 1 56 . 1 . 1 15 15 SER N N 15 116.673 0.005 . 1 . . . . . 344 SER N . 53113 1 57 . 1 . 1 16 16 LEU H H 1 8.245 0.001 . 1 . . . . . 345 LEU H . 53113 1 58 . 1 . 1 16 16 LEU C C 13 177.212 0.000 . 1 . . . . . 345 LEU C . 53113 1 59 . 1 . 1 16 16 LEU CA C 13 55.474 0.000 . 1 . . . . . 345 LEU CA . 53113 1 60 . 1 . 1 16 16 LEU N N 15 124.086 0.009 . 1 . . . . . 345 LEU N . 53113 1 61 . 1 . 1 17 17 TYR H H 1 8.179 0.000 . 1 . . . . . 346 TYR H . 53113 1 62 . 1 . 1 17 17 TYR C C 13 175.779 0.000 . 1 . . . . . 346 TYR C . 53113 1 63 . 1 . 1 17 17 TYR CA C 13 58.078 0.000 . 1 . . . . . 346 TYR CA . 53113 1 64 . 1 . 1 17 17 TYR N N 15 120.547 0.010 . 1 . . . . . 346 TYR N . 53113 1 65 . 1 . 1 18 18 LYS H H 1 8.239 0.000 . 1 . . . . . 347 LYS H . 53113 1 66 . 1 . 1 18 18 LYS C C 13 176.174 0.000 . 1 . . . . . 347 LYS C . 53113 1 67 . 1 . 1 18 18 LYS CA C 13 56.068 0.000 . 1 . . . . . 347 LYS CA . 53113 1 68 . 1 . 1 18 18 LYS N N 15 124.050 0.001 . 1 . . . . . 347 LYS N . 53113 1 69 . 1 . 1 19 19 SER H H 1 8.450 0.001 . 1 . . . . . 348 SER H . 53113 1 70 . 1 . 1 19 19 SER C C 13 175.228 0.000 . 1 . . . . . 348 SER C . 53113 1 71 . 1 . 1 19 19 SER CA C 13 58.660 0.000 . 1 . . . . . 348 SER CA . 53113 1 72 . 1 . 1 19 19 SER N N 15 117.474 0.006 . 1 . . . . . 348 SER N . 53113 1 73 . 1 . 1 20 20 GLY H H 1 8.572 0.000 . 1 . . . . . 349 GLY H . 53113 1 74 . 1 . 1 20 20 GLY C C 13 173.985 0.000 . 1 . . . . . 349 GLY C . 53113 1 75 . 1 . 1 20 20 GLY CA C 13 45.287 0.000 . 1 . . . . . 349 GLY CA . 53113 1 76 . 1 . 1 20 20 GLY N N 15 111.485 0.002 . 1 . . . . . 349 GLY N . 53113 1 77 . 1 . 1 21 21 ALA H H 1 8.207 0.000 . 1 . . . . . 350 ALA H . 53113 1 78 . 1 . 1 21 21 ALA C C 13 178.092 0.000 . 1 . . . . . 350 ALA C . 53113 1 79 . 1 . 1 21 21 ALA CA C 13 52.717 0.000 . 1 . . . . . 350 ALA CA . 53113 1 80 . 1 . 1 21 21 ALA N N 15 123.739 0.020 . 1 . . . . . 350 ALA N . 53113 1 81 . 1 . 1 22 22 LEU H H 1 8.394 0.001 . 1 . . . . . 351 LEU H . 53113 1 82 . 1 . 1 22 22 LEU C C 13 177.415 0.000 . 1 . . . . . 351 LEU C . 53113 1 83 . 1 . 1 22 22 LEU CA C 13 55.417 0.000 . 1 . . . . . 351 LEU CA . 53113 1 84 . 1 . 1 22 22 LEU N N 15 121.165 0.004 . 1 . . . . . 351 LEU N . 53113 1 85 . 1 . 1 23 23 ASP H H 1 8.318 0.000 . 1 . . . . . 352 ASP H . 53113 1 86 . 1 . 1 23 23 ASP C C 13 176.695 0.000 . 1 . . . . . 352 ASP C . 53113 1 87 . 1 . 1 23 23 ASP CA C 13 54.289 0.000 . 1 . . . . . 352 ASP CA . 53113 1 88 . 1 . 1 23 23 ASP N N 15 121.089 0.009 . 1 . . . . . 352 ASP N . 53113 1 89 . 1 . 1 24 24 GLU H H 1 8.460 0.001 . 1 . . . . . 353 GLU H . 53113 1 90 . 1 . 1 24 24 GLU C C 13 176.979 0.000 . 1 . . . . . 353 GLU C . 53113 1 91 . 1 . 1 24 24 GLU CA C 13 57.535 0.000 . 1 . . . . . 353 GLU CA . 53113 1 92 . 1 . 1 24 24 GLU N N 15 122.288 0.005 . 1 . . . . . 353 GLU N . 53113 1 93 . 1 . 1 25 25 ALA H H 1 8.330 0.000 . 1 . . . . . 354 ALA H . 53113 1 94 . 1 . 1 25 25 ALA C C 13 178.406 0.000 . 1 . . . . . 354 ALA C . 53113 1 95 . 1 . 1 25 25 ALA CA C 13 53.260 0.000 . 1 . . . . . 354 ALA CA . 53113 1 96 . 1 . 1 25 25 ALA N N 15 123.650 0.001 . 1 . . . . . 354 ALA N . 53113 1 97 . 1 . 1 26 26 ALA H H 1 8.093 0.000 . 1 . . . . . 355 ALA H . 53113 1 98 . 1 . 1 26 26 ALA C C 13 178.259 0.000 . 1 . . . . . 355 ALA C . 53113 1 99 . 1 . 1 26 26 ALA CA C 13 53.088 0.000 . 1 . . . . . 355 ALA CA . 53113 1 100 . 1 . 1 26 26 ALA N N 15 122.194 0.008 . 1 . . . . . 355 ALA N . 53113 1 101 . 1 . 1 27 27 ALA H H 1 8.131 0.000 . 1 . . . . . 356 ALA H . 53113 1 102 . 1 . 1 27 27 ALA C C 13 178.088 0.000 . 1 . . . . . 356 ALA C . 53113 1 103 . 1 . 1 27 27 ALA CA C 13 53.045 0.000 . 1 . . . . . 356 ALA CA . 53113 1 104 . 1 . 1 27 27 ALA N N 15 122.188 0.004 . 1 . . . . . 356 ALA N . 53113 1 105 . 1 . 1 28 28 TYR H H 1 8.051 0.001 . 1 . . . . . 357 TYR H . 53113 1 106 . 1 . 1 28 28 TYR C C 13 176.112 0.000 . 1 . . . . . 357 TYR C . 53113 1 107 . 1 . 1 28 28 TYR CA C 13 58.460 0.000 . 1 . . . . . 357 TYR CA . 53113 1 108 . 1 . 1 28 28 TYR N N 15 118.801 0.005 . 1 . . . . . 357 TYR N . 53113 1 109 . 1 . 1 29 29 GLN H H 1 8.105 0.000 . 1 . . . . . 358 GLN H . 53113 1 110 . 1 . 1 29 29 GLN C C 13 175.765 0.000 . 1 . . . . . 358 GLN C . 53113 1 111 . 1 . 1 29 29 GLN CA C 13 55.800 0.000 . 1 . . . . . 358 GLN CA . 53113 1 112 . 1 . 1 29 29 GLN N N 15 121.445 0.002 . 1 . . . . . 358 GLN N . 53113 1 113 . 1 . 1 30 30 SER H H 1 8.304 0.001 . 1 . . . . . 359 SER H . 53113 1 114 . 1 . 1 30 30 SER C C 13 174.855 0.000 . 1 . . . . . 359 SER C . 53113 1 115 . 1 . 1 30 30 SER CA C 13 58.662 0.000 . 1 . . . . . 359 SER CA . 53113 1 116 . 1 . 1 30 30 SER N N 15 116.690 0.004 . 1 . . . . . 359 SER N . 53113 1 117 . 1 . 1 31 31 ARG H H 1 8.359 0.001 . 1 . . . . . 360 ARG H . 53113 1 118 . 1 . 1 31 31 ARG C C 13 175.941 0.000 . 1 . . . . . 360 ARG C . 53113 1 119 . 1 . 1 31 31 ARG CA C 13 56.513 0.000 . 1 . . . . . 360 ARG CA . 53113 1 120 . 1 . 1 31 31 ARG N N 15 122.752 0.009 . 1 . . . . . 360 ARG N . 53113 1 121 . 1 . 1 32 32 ASP H H 1 8.336 0.001 . 1 . . . . . 361 ASP H . 53113 1 122 . 1 . 1 32 32 ASP C C 13 176.108 0.000 . 1 . . . . . 361 ASP C . 53113 1 123 . 1 . 1 32 32 ASP CA C 13 54.339 0.000 . 1 . . . . . 361 ASP CA . 53113 1 124 . 1 . 1 32 32 ASP N N 15 120.609 0.006 . 1 . . . . . 361 ASP N . 53113 1 125 . 1 . 1 33 33 TYR H H 1 8.013 0.001 . 1 . . . . . 362 TYR H . 53113 1 126 . 1 . 1 33 33 TYR C C 13 175.646 0.000 . 1 . . . . . 362 TYR C . 53113 1 127 . 1 . 1 33 33 TYR CA C 13 58.765 0.000 . 1 . . . . . 362 TYR CA . 53113 1 128 . 1 . 1 33 33 TYR N N 15 120.306 0.003 . 1 . . . . . 362 TYR N . 53113 1 129 . 1 . 1 34 34 TYR H H 1 8.009 0.001 . 1 . . . . . 363 TYR H . 53113 1 130 . 1 . 1 34 34 TYR C C 13 175.329 0.000 . 1 . . . . . 363 TYR C . 53113 1 131 . 1 . 1 34 34 TYR CA C 13 58.451 0.000 . 1 . . . . . 363 TYR CA . 53113 1 132 . 1 . 1 34 34 TYR N N 15 119.929 0.017 . 1 . . . . . 363 TYR N . 53113 1 133 . 1 . 1 35 35 ASN H H 1 8.022 0.002 . 1 . . . . . 364 ASN H . 53113 1 134 . 1 . 1 35 35 ASN C C 13 174.148 0.000 . 1 . . . . . 364 ASN C . 53113 1 135 . 1 . 1 35 35 ASN CA C 13 53.033 0.000 . 1 . . . . . 364 ASN CA . 53113 1 136 . 1 . 1 35 35 ASN N N 15 119.325 0.004 . 1 . . . . . 364 ASN N . 53113 1 137 . 1 . 1 36 36 PHE H H 1 8.052 0.001 . 1 . . . . . 365 PHE H . 53113 1 138 . 1 . 1 36 36 PHE CA C 13 55.945 0.000 . 1 . . . . . 365 PHE CA . 53113 1 139 . 1 . 1 36 36 PHE N N 15 121.297 0.003 . 1 . . . . . 365 PHE N . 53113 1 140 . 1 . 1 37 37 PRO C C 13 176.976 0.000 . 1 . . . . . 366 PRO C . 53113 1 141 . 1 . 1 37 37 PRO CA C 13 63.308 0.000 . 1 . . . . . 366 PRO CA . 53113 1 142 . 1 . 1 38 38 LEU H H 1 8.351 0.002 . 1 . . . . . 367 LEU H . 53113 1 143 . 1 . 1 38 38 LEU C C 13 177.377 0.000 . 1 . . . . . 367 LEU C . 53113 1 144 . 1 . 1 38 38 LEU CA C 13 55.229 0.000 . 1 . . . . . 367 LEU CA . 53113 1 145 . 1 . 1 38 38 LEU N N 15 122.294 0.014 . 1 . . . . . 367 LEU N . 53113 1 146 . 1 . 1 39 39 ALA H H 1 8.361 0.001 . 1 . . . . . 368 ALA H . 53113 1 147 . 1 . 1 39 39 ALA C C 13 177.631 0.000 . 1 . . . . . 368 ALA C . 53113 1 148 . 1 . 1 39 39 ALA CA C 13 52.361 0.000 . 1 . . . . . 368 ALA CA . 53113 1 149 . 1 . 1 39 39 ALA N N 15 124.871 0.006 . 1 . . . . . 368 ALA N . 53113 1 150 . 1 . 1 40 40 LEU H H 1 8.261 0.002 . 1 . . . . . 369 LEU H . 53113 1 151 . 1 . 1 40 40 LEU C C 13 177.139 0.000 . 1 . . . . . 369 LEU C . 53113 1 152 . 1 . 1 40 40 LEU CA C 13 54.929 0.000 . 1 . . . . . 369 LEU CA . 53113 1 153 . 1 . 1 40 40 LEU N N 15 121.595 0.006 . 1 . . . . . 369 LEU N . 53113 1 154 . 1 . 1 41 41 ALA H H 1 8.362 0.001 . 1 . . . . . 370 ALA H . 53113 1 155 . 1 . 1 41 41 ALA C C 13 177.728 0.000 . 1 . . . . . 370 ALA C . 53113 1 156 . 1 . 1 41 41 ALA CA C 13 52.356 0.000 . 1 . . . . . 370 ALA CA . 53113 1 157 . 1 . 1 41 41 ALA N N 15 124.983 0.012 . 1 . . . . . 370 ALA N . 53113 1 158 . 1 . 1 42 42 GLY H H 1 8.209 0.001 . 1 . . . . . 371 GLY H . 53113 1 159 . 1 . 1 42 42 GLY CA C 13 44.358 0.000 . 1 . . . . . 371 GLY CA . 53113 1 160 . 1 . 1 42 42 GLY N N 15 108.525 0.006 . 1 . . . . . 371 GLY N . 53113 1 161 . 1 . 1 50 50 PRO C C 13 176.328 0.000 . 1 . . . . . 379 PRO C . 53113 1 162 . 1 . 1 51 51 HIS H H 1 8.424 0.001 . 1 . . . . . 380 HIS H . 53113 1 163 . 1 . 1 51 51 HIS CA C 13 54.491 0.000 . 1 . . . . . 380 HIS CA . 53113 1 164 . 1 . 1 51 51 HIS N N 15 121.347 0.003 . 1 . . . . . 380 HIS N . 53113 1 165 . 1 . 1 53 53 HIS H H 1 8.873 0.016 . 1 . . . . . 382 HIS H . 53113 1 166 . 1 . 1 53 53 HIS C C 13 175.371 0.000 . 1 . . . . . 382 HIS C . 53113 1 167 . 1 . 1 53 53 HIS CA C 13 55.922 0.000 . 1 . . . . . 382 HIS CA . 53113 1 168 . 1 . 1 53 53 HIS N N 15 119.759 0.020 . 1 . . . . . 382 HIS N . 53113 1 169 . 1 . 1 54 54 ALA H H 1 8.278 0.003 . 1 . . . . . 383 ALA H . 53113 1 170 . 1 . 1 54 54 ALA C C 13 177.595 0.000 . 1 . . . . . 383 ALA C . 53113 1 171 . 1 . 1 54 54 ALA CA C 13 52.631 0.000 . 1 . . . . . 383 ALA CA . 53113 1 172 . 1 . 1 54 54 ALA N N 15 124.841 0.013 . 1 . . . . . 383 ALA N . 53113 1 173 . 1 . 1 55 55 ARG H H 1 8.507 0.001 . 1 . . . . . 384 ARG H . 53113 1 174 . 1 . 1 55 55 ARG C C 13 176.318 0.000 . 1 . . . . . 384 ARG C . 53113 1 175 . 1 . 1 55 55 ARG CA C 13 56.262 0.000 . 1 . . . . . 384 ARG CA . 53113 1 176 . 1 . 1 55 55 ARG N N 15 120.771 0.014 . 1 . . . . . 384 ARG N . 53113 1 177 . 1 . 1 56 56 ILE H H 1 8.263 0.003 . 1 . . . . . 385 ILE H . 53113 1 178 . 1 . 1 56 56 ILE C C 13 175.901 0.000 . 1 . . . . . 385 ILE C . 53113 1 179 . 1 . 1 56 56 ILE CA C 13 61.017 0.000 . 1 . . . . . 385 ILE CA . 53113 1 180 . 1 . 1 56 56 ILE N N 15 122.575 0.021 . 1 . . . . . 385 ILE N . 53113 1 181 . 1 . 1 57 57 LYS H H 1 8.490 0.001 . 1 . . . . . 386 LYS H . 53113 1 182 . 1 . 1 57 57 LYS C C 13 176.051 0.000 . 1 . . . . . 386 LYS C . 53113 1 183 . 1 . 1 57 57 LYS CA C 13 56.308 0.000 . 1 . . . . . 386 LYS CA . 53113 1 184 . 1 . 1 57 57 LYS N N 15 126.222 0.022 . 1 . . . . . 386 LYS N . 53113 1 185 . 1 . 1 58 58 LEU H H 1 8.416 0.001 . 1 . . . . . 387 LEU H . 53113 1 186 . 1 . 1 58 58 LEU C C 13 177.155 0.000 . 1 . . . . . 387 LEU C . 53113 1 187 . 1 . 1 58 58 LEU CA C 13 55.187 0.000 . 1 . . . . . 387 LEU CA . 53113 1 188 . 1 . 1 58 58 LEU N N 15 125.091 0.001 . 1 . . . . . 387 LEU N . 53113 1 189 . 1 . 1 59 59 GLU H H 1 8.556 0.002 . 1 . . . . . 388 GLU H . 53113 1 190 . 1 . 1 59 59 GLU C C 13 175.824 0.000 . 1 . . . . . 388 GLU C . 53113 1 191 . 1 . 1 59 59 GLU CA C 13 56.535 0.000 . 1 . . . . . 388 GLU CA . 53113 1 192 . 1 . 1 59 59 GLU N N 15 122.057 0.006 . 1 . . . . . 388 GLU N . 53113 1 193 . 1 . 1 60 60 ASN H H 1 8.601 0.002 . 1 . . . . . 389 ASN H . 53113 1 194 . 1 . 1 60 60 ASN CA C 13 50.824 0.000 . 1 . . . . . 389 ASN CA . 53113 1 195 . 1 . 1 60 60 ASN N N 15 120.287 0.004 . 1 . . . . . 389 ASN N . 53113 1 196 . 1 . 1 61 61 PRO C C 13 177.264 0.000 . 1 . . . . . 390 PRO C . 53113 1 197 . 1 . 1 62 62 LEU H H 1 8.214 0.003 . 1 . . . . . 391 LEU H . 53113 1 198 . 1 . 1 62 62 LEU C C 13 177.274 0.000 . 1 . . . . . 391 LEU C . 53113 1 199 . 1 . 1 62 62 LEU CA C 13 55.422 0.000 . 1 . . . . . 391 LEU CA . 53113 1 200 . 1 . 1 62 62 LEU N N 15 119.815 0.007 . 1 . . . . . 391 LEU N . 53113 1 201 . 1 . 1 63 63 ASP H H 1 8.025 0.002 . 1 . . . . . 392 ASP H . 53113 1 202 . 1 . 1 63 63 ASP C C 13 176.212 0.000 . 1 . . . . . 392 ASP C . 53113 1 203 . 1 . 1 63 63 ASP CA C 13 54.004 0.000 . 1 . . . . . 392 ASP CA . 53113 1 204 . 1 . 1 63 63 ASP N N 15 119.874 0.004 . 1 . . . . . 392 ASP N . 53113 1 205 . 1 . 1 64 64 TYR H H 1 8.088 0.002 . 1 . . . . . 393 TYR H . 53113 1 206 . 1 . 1 64 64 TYR C C 13 176.776 0.000 . 1 . . . . . 393 TYR C . 53113 1 207 . 1 . 1 64 64 TYR CA C 13 58.883 0.000 . 1 . . . . . 393 TYR CA . 53113 1 208 . 1 . 1 64 64 TYR N N 15 121.149 0.013 . 1 . . . . . 393 TYR N . 53113 1 209 . 1 . 1 65 65 GLY H H 1 8.458 0.003 . 1 . . . . . 394 GLY H . 53113 1 210 . 1 . 1 65 65 GLY C C 13 174.980 0.000 . 1 . . . . . 394 GLY C . 53113 1 211 . 1 . 1 65 65 GLY CA C 13 45.809 0.000 . 1 . . . . . 394 GLY CA . 53113 1 212 . 1 . 1 65 65 GLY N N 15 109.442 0.001 . 1 . . . . . 394 GLY N . 53113 1 213 . 1 . 1 66 66 SER H H 1 8.221 0.002 . 1 . . . . . 395 SER H . 53113 1 214 . 1 . 1 66 66 SER C C 13 175.575 0.000 . 1 . . . . . 395 SER C . 53113 1 215 . 1 . 1 66 66 SER CA C 13 59.542 0.000 . 1 . . . . . 395 SER CA . 53113 1 216 . 1 . 1 66 66 SER N N 15 116.155 0.019 . 1 . . . . . 395 SER N . 53113 1 217 . 1 . 1 67 67 ALA H H 1 8.531 0.002 . 1 . . . . . 396 ALA H . 53113 1 218 . 1 . 1 67 67 ALA C C 13 179.180 0.000 . 1 . . . . . 396 ALA C . 53113 1 219 . 1 . 1 67 67 ALA CA C 13 54.131 0.000 . 1 . . . . . 396 ALA CA . 53113 1 220 . 1 . 1 67 67 ALA N N 15 125.932 0.012 . 1 . . . . . 396 ALA N . 53113 1 221 . 1 . 1 68 68 TRP H H 1 8.201 0.002 . 1 . . . . . 397 TRP H . 53113 1 222 . 1 . 1 68 68 TRP C C 13 177.309 0.000 . 1 . . . . . 397 TRP C . 53113 1 223 . 1 . 1 68 68 TRP CA C 13 59.177 0.000 . 1 . . . . . 397 TRP CA . 53113 1 224 . 1 . 1 68 68 TRP N N 15 119.964 0.026 . 1 . . . . . 397 TRP N . 53113 1 225 . 1 . 1 69 69 ALA H H 1 7.956 0.003 . 1 . . . . . 398 ALA H . 53113 1 226 . 1 . 1 69 69 ALA C C 13 178.991 0.000 . 1 . . . . . 398 ALA C . 53113 1 227 . 1 . 1 69 69 ALA CA C 13 53.793 0.000 . 1 . . . . . 398 ALA CA . 53113 1 228 . 1 . 1 69 69 ALA N N 15 123.592 0.018 . 1 . . . . . 398 ALA N . 53113 1 229 . 1 . 1 70 70 ALA H H 1 8.002 0.003 . 1 . . . . . 399 ALA H . 53113 1 230 . 1 . 1 70 70 ALA C C 13 179.018 0.000 . 1 . . . . . 399 ALA C . 53113 1 231 . 1 . 1 70 70 ALA CA C 13 53.807 0.000 . 1 . . . . . 399 ALA CA . 53113 1 232 . 1 . 1 70 70 ALA N N 15 121.852 0.009 . 1 . . . . . 399 ALA N . 53113 1 233 . 1 . 1 71 71 ALA H H 1 7.965 0.001 . 1 . . . . . 400 ALA H . 53113 1 234 . 1 . 1 71 71 ALA C C 13 179.139 0.000 . 1 . . . . . 400 ALA C . 53113 1 235 . 1 . 1 71 71 ALA CA C 13 53.780 0.000 . 1 . . . . . 400 ALA CA . 53113 1 236 . 1 . 1 71 71 ALA N N 15 121.840 0.001 . 1 . . . . . 400 ALA N . 53113 1 237 . 1 . 1 72 72 ALA H H 1 8.120 0.001 . 1 . . . . . 401 ALA H . 53113 1 238 . 1 . 1 72 72 ALA C C 13 178.906 0.000 . 1 . . . . . 401 ALA C . 53113 1 239 . 1 . 1 72 72 ALA CA C 13 53.529 0.000 . 1 . . . . . 401 ALA CA . 53113 1 240 . 1 . 1 72 72 ALA N N 15 122.144 0.004 . 1 . . . . . 401 ALA N . 53113 1 241 . 1 . 1 73 73 ALA H H 1 7.968 0.004 . 1 . . . . . 402 ALA H . 53113 1 242 . 1 . 1 73 73 ALA C C 13 178.635 0.000 . 1 . . . . . 402 ALA C . 53113 1 243 . 1 . 1 73 73 ALA CA C 13 53.581 0.000 . 1 . . . . . 402 ALA CA . 53113 1 244 . 1 . 1 73 73 ALA N N 15 121.429 0.003 . 1 . . . . . 402 ALA N . 53113 1 245 . 1 . 1 74 74 GLN H H 1 8.048 0.004 . 1 . . . . . 403 GLN H . 53113 1 246 . 1 . 1 74 74 GLN C C 13 176.833 0.000 . 1 . . . . . 403 GLN C . 53113 1 247 . 1 . 1 74 74 GLN CA C 13 56.621 0.000 . 1 . . . . . 403 GLN CA . 53113 1 248 . 1 . 1 74 74 GLN N N 15 117.882 0.003 . 1 . . . . . 403 GLN N . 53113 1 249 . 1 . 1 75 75 SER H H 1 8.158 0.003 . 1 . . . . . 404 SER H . 53113 1 250 . 1 . 1 75 75 SER C C 13 174.911 0.000 . 1 . . . . . 404 SER C . 53113 1 251 . 1 . 1 75 75 SER CA C 13 59.210 0.000 . 1 . . . . . 404 SER CA . 53113 1 252 . 1 . 1 75 75 SER N N 15 115.900 0.009 . 1 . . . . . 404 SER N . 53113 1 253 . 1 . 1 76 76 ARG H H 1 8.189 0.001 . 1 . . . . . 405 ARG H . 53113 1 254 . 1 . 1 76 76 ARG C C 13 176.442 0.000 . 1 . . . . . 405 ARG C . 53113 1 255 . 1 . 1 76 76 ARG CA C 13 56.808 0.000 . 1 . . . . . 405 ARG CA . 53113 1 256 . 1 . 1 76 76 ARG N N 15 122.095 0.008 . 1 . . . . . 405 ARG N . 53113 1 257 . 1 . 1 77 77 TYR H H 1 8.207 0.003 . 1 . . . . . 406 TYR H . 53113 1 258 . 1 . 1 77 77 TYR C C 13 176.643 0.000 . 1 . . . . . 406 TYR C . 53113 1 259 . 1 . 1 77 77 TYR CA C 13 58.322 0.000 . 1 . . . . . 406 TYR CA . 53113 1 260 . 1 . 1 77 77 TYR N N 15 119.588 0.014 . 1 . . . . . 406 TYR N . 53113 1 261 . 1 . 1 78 78 GLY H H 1 8.253 0.001 . 1 . . . . . 407 GLY H . 53113 1 262 . 1 . 1 78 78 GLY C C 13 174.031 0.000 . 1 . . . . . 407 GLY C . 53113 1 263 . 1 . 1 78 78 GLY CA C 13 45.507 0.000 . 1 . . . . . 407 GLY CA . 53113 1 264 . 1 . 1 78 78 GLY N N 15 109.834 0.012 . 1 . . . . . 407 GLY N . 53113 1 265 . 1 . 1 79 79 ASP H H 1 8.264 0.001 . 1 . . . . . 408 ASP H . 53113 1 266 . 1 . 1 79 79 ASP C C 13 176.928 0.000 . 1 . . . . . 408 ASP C . 53113 1 267 . 1 . 1 79 79 ASP CA C 13 54.518 0.000 . 1 . . . . . 408 ASP CA . 53113 1 268 . 1 . 1 79 79 ASP N N 15 120.637 0.005 . 1 . . . . . 408 ASP N . 53113 1 269 . 1 . 1 80 80 LEU H H 1 8.312 0.000 . 1 . . . . . 409 LEU H . 53113 1 270 . 1 . 1 80 80 LEU C C 13 177.941 0.000 . 1 . . . . . 409 LEU C . 53113 1 271 . 1 . 1 80 80 LEU CA C 13 56.109 0.000 . 1 . . . . . 409 LEU CA . 53113 1 272 . 1 . 1 80 80 LEU N N 15 122.652 0.010 . 1 . . . . . 409 LEU N . 53113 1 273 . 1 . 1 81 81 ALA H H 1 8.303 0.001 . 1 . . . . . 410 ALA H . 53113 1 274 . 1 . 1 81 81 ALA C C 13 178.649 0.000 . 1 . . . . . 410 ALA C . 53113 1 275 . 1 . 1 81 81 ALA CA C 13 53.567 0.000 . 1 . . . . . 410 ALA CA . 53113 1 276 . 1 . 1 81 81 ALA N N 15 123.106 0.008 . 1 . . . . . 410 ALA N . 53113 1 277 . 1 . 1 82 82 SER H H 1 8.105 0.002 . 1 . . . . . 411 SER H . 53113 1 278 . 1 . 1 82 82 SER C C 13 175.079 0.000 . 1 . . . . . 411 SER C . 53113 1 279 . 1 . 1 82 82 SER CA C 13 58.988 0.000 . 1 . . . . . 411 SER CA . 53113 1 280 . 1 . 1 82 82 SER N N 15 113.808 0.006 . 1 . . . . . 411 SER N . 53113 1 281 . 1 . 1 83 83 LEU H H 1 8.053 0.001 . 1 . . . . . 412 LEU H . 53113 1 282 . 1 . 1 83 83 LEU C C 13 177.549 0.000 . 1 . . . . . 412 LEU C . 53113 1 283 . 1 . 1 83 83 LEU CA C 13 55.711 0.000 . 1 . . . . . 412 LEU CA . 53113 1 284 . 1 . 1 83 83 LEU N N 15 123.284 0.002 . 1 . . . . . 412 LEU N . 53113 1 285 . 1 . 1 84 84 HIS H H 1 8.206 0.002 . 1 . . . . . 413 HIS H . 53113 1 286 . 1 . 1 84 84 HIS C C 13 176.063 0.000 . 1 . . . . . 413 HIS C . 53113 1 287 . 1 . 1 84 84 HIS CA C 13 56.333 0.000 . 1 . . . . . 413 HIS CA . 53113 1 288 . 1 . 1 84 84 HIS N N 15 118.661 0.014 . 1 . . . . . 413 HIS N . 53113 1 289 . 1 . 1 85 85 GLY H H 1 8.317 0.002 . 1 . . . . . 414 GLY H . 53113 1 290 . 1 . 1 85 85 GLY C C 13 174.097 0.000 . 1 . . . . . 414 GLY C . 53113 1 291 . 1 . 1 85 85 GLY CA C 13 45.324 0.000 . 1 . . . . . 414 GLY CA . 53113 1 292 . 1 . 1 85 85 GLY N N 15 109.778 0.001 . 1 . . . . . 414 GLY N . 53113 1 293 . 1 . 1 86 86 ALA H H 1 8.333 0.001 . 1 . . . . . 415 ALA H . 53113 1 294 . 1 . 1 86 86 ALA C C 13 178.418 0.000 . 1 . . . . . 415 ALA C . 53113 1 295 . 1 . 1 86 86 ALA CA C 13 52.832 0.000 . 1 . . . . . 415 ALA CA . 53113 1 296 . 1 . 1 86 86 ALA N N 15 123.867 0.001 . 1 . . . . . 415 ALA N . 53113 1 297 . 1 . 1 87 87 GLY H H 1 8.489 0.001 . 1 . . . . . 416 GLY H . 53113 1 298 . 1 . 1 87 87 GLY C C 13 174.038 0.000 . 1 . . . . . 416 GLY C . 53113 1 299 . 1 . 1 87 87 GLY CA C 13 45.217 0.000 . 1 . . . . . 416 GLY CA . 53113 1 300 . 1 . 1 87 87 GLY N N 15 108.273 0.011 . 1 . . . . . 416 GLY N . 53113 1 301 . 1 . 1 88 88 ALA H H 1 8.186 0.001 . 1 . . . . . 417 ALA H . 53113 1 302 . 1 . 1 88 88 ALA C C 13 177.485 0.000 . 1 . . . . . 417 ALA C . 53113 1 303 . 1 . 1 88 88 ALA CA C 13 52.534 0.000 . 1 . . . . . 417 ALA CA . 53113 1 304 . 1 . 1 88 88 ALA N N 15 123.812 0.011 . 1 . . . . . 417 ALA N . 53113 1 305 . 1 . 1 89 89 ALA H H 1 8.374 0.000 . 1 . . . . . 418 ALA H . 53113 1 306 . 1 . 1 89 89 ALA C C 13 177.879 0.000 . 1 . . . . . 418 ALA C . 53113 1 307 . 1 . 1 89 89 ALA CA C 13 52.380 0.000 . 1 . . . . . 418 ALA CA . 53113 1 308 . 1 . 1 89 89 ALA N N 15 123.052 0.002 . 1 . . . . . 418 ALA N . 53113 1 309 . 1 . 1 90 90 GLY H H 1 8.220 0.000 . 1 . . . . . 419 GLY H . 53113 1 310 . 1 . 1 90 90 GLY CA C 13 44.489 0.000 . 1 . . . . . 419 GLY CA . 53113 1 311 . 1 . 1 90 90 GLY N N 15 108.081 0.004 . 1 . . . . . 419 GLY N . 53113 1 312 . 1 . 1 91 91 PRO C C 13 177.851 0.000 . 1 . . . . . 420 PRO C . 53113 1 313 . 1 . 1 91 91 PRO CA C 13 63.532 0.000 . 1 . . . . . 420 PRO CA . 53113 1 314 . 1 . 1 92 92 GLY H H 1 8.702 0.001 . 1 . . . . . 421 GLY H . 53113 1 315 . 1 . 1 92 92 GLY C C 13 174.463 0.000 . 1 . . . . . 421 GLY C . 53113 1 316 . 1 . 1 92 92 GLY CA C 13 45.299 0.000 . 1 . . . . . 421 GLY CA . 53113 1 317 . 1 . 1 92 92 GLY N N 15 110.147 0.009 . 1 . . . . . 421 GLY N . 53113 1 318 . 1 . 1 93 93 SER H H 1 8.303 0.002 . 1 . . . . . 422 SER H . 53113 1 319 . 1 . 1 93 93 SER C C 13 175.139 0.000 . 1 . . . . . 422 SER C . 53113 1 320 . 1 . 1 93 93 SER CA C 13 58.726 0.000 . 1 . . . . . 422 SER CA . 53113 1 321 . 1 . 1 93 93 SER N N 15 115.637 0.003 . 1 . . . . . 422 SER N . 53113 1 322 . 1 . 1 94 94 GLY H H 1 8.596 0.002 . 1 . . . . . 423 GLY H . 53113 1 323 . 1 . 1 94 94 GLY C C 13 173.818 0.000 . 1 . . . . . 423 GLY C . 53113 1 324 . 1 . 1 94 94 GLY CA C 13 45.061 0.000 . 1 . . . . . 423 GLY CA . 53113 1 325 . 1 . 1 94 94 GLY N N 15 110.944 0.009 . 1 . . . . . 423 GLY N . 53113 1 326 . 1 . 1 95 95 SER H H 1 8.273 0.001 . 1 . . . . . 424 SER H . 53113 1 327 . 1 . 1 95 95 SER CA C 13 56.470 0.000 . 1 . . . . . 424 SER CA . 53113 1 328 . 1 . 1 95 95 SER N N 15 116.891 0.004 . 1 . . . . . 424 SER N . 53113 1 329 . 1 . 1 96 96 PRO C C 13 177.165 0.000 . 1 . . . . . 425 PRO C . 53113 1 330 . 1 . 1 97 97 SER H H 1 8.445 0.002 . 1 . . . . . 426 SER H . 53113 1 331 . 1 . 1 97 97 SER C C 13 174.575 0.000 . 1 . . . . . 426 SER C . 53113 1 332 . 1 . 1 97 97 SER CA C 13 58.444 0.000 . 1 . . . . . 426 SER CA . 53113 1 333 . 1 . 1 97 97 SER N N 15 115.885 0.009 . 1 . . . . . 426 SER N . 53113 1 334 . 1 . 1 98 98 ALA H H 1 8.411 0.002 . 1 . . . . . 427 ALA H . 53113 1 335 . 1 . 1 98 98 ALA C C 13 177.785 0.000 . 1 . . . . . 427 ALA C . 53113 1 336 . 1 . 1 98 98 ALA CA C 13 52.771 0.000 . 1 . . . . . 427 ALA CA . 53113 1 337 . 1 . 1 98 98 ALA N N 15 126.341 0.002 . 1 . . . . . 427 ALA N . 53113 1 338 . 1 . 1 99 99 ALA H H 1 8.294 0.001 . 1 . . . . . 428 ALA H . 53113 1 339 . 1 . 1 99 99 ALA C C 13 177.783 0.000 . 1 . . . . . 428 ALA C . 53113 1 340 . 1 . 1 99 99 ALA CA C 13 52.714 0.000 . 1 . . . . . 428 ALA CA . 53113 1 341 . 1 . 1 99 99 ALA N N 15 122.921 0.008 . 1 . . . . . 428 ALA N . 53113 1 342 . 1 . 1 100 100 ALA H H 1 8.292 0.001 . 1 . . . . . 429 ALA H . 53113 1 343 . 1 . 1 100 100 ALA C C 13 178.105 0.000 . 1 . . . . . 429 ALA C . 53113 1 344 . 1 . 1 100 100 ALA CA C 13 52.707 0.000 . 1 . . . . . 429 ALA CA . 53113 1 345 . 1 . 1 100 100 ALA N N 15 122.926 0.009 . 1 . . . . . 429 ALA N . 53113 1 346 . 1 . 1 101 101 SER H H 1 8.281 0.001 . 1 . . . . . 430 SER H . 53113 1 347 . 1 . 1 101 101 SER C C 13 174.898 0.000 . 1 . . . . . 430 SER C . 53113 1 348 . 1 . 1 101 101 SER CA C 13 58.577 0.000 . 1 . . . . . 430 SER CA . 53113 1 349 . 1 . 1 101 101 SER N N 15 114.711 0.004 . 1 . . . . . 430 SER N . 53113 1 350 . 1 . 1 102 102 SER H H 1 8.368 0.002 . 1 . . . . . 431 SER H . 53113 1 351 . 1 . 1 102 102 SER C C 13 174.709 0.000 . 1 . . . . . 431 SER C . 53113 1 352 . 1 . 1 102 102 SER CA C 13 58.627 0.000 . 1 . . . . . 431 SER CA . 53113 1 353 . 1 . 1 102 102 SER N N 15 117.703 0.033 . 1 . . . . . 431 SER N . 53113 1 354 . 1 . 1 103 103 SER H H 1 8.356 0.003 . 1 . . . . . 432 SER H . 53113 1 355 . 1 . 1 103 103 SER C C 13 174.578 0.000 . 1 . . . . . 432 SER C . 53113 1 356 . 1 . 1 103 103 SER CA C 13 58.651 0.000 . 1 . . . . . 432 SER CA . 53113 1 357 . 1 . 1 103 103 SER N N 15 117.499 0.016 . 1 . . . . . 432 SER N . 53113 1 358 . 1 . 1 104 104 TRP H H 1 8.123 0.002 . 1 . . . . . 433 TRP H . 53113 1 359 . 1 . 1 104 104 TRP CA C 13 57.975 0.000 . 1 . . . . . 433 TRP CA . 53113 1 360 . 1 . 1 104 104 TRP N N 15 122.690 0.020 . 1 . . . . . 433 TRP N . 53113 1 361 . 1 . 1 105 105 HIS C C 13 175.511 0.000 . 1 . . . . . 434 HIS C . 53113 1 362 . 1 . 1 106 106 THR H H 1 7.964 0.003 . 1 . . . . . 435 THR H . 53113 1 363 . 1 . 1 106 106 THR CA C 13 62.587 0.000 . 1 . . . . . 435 THR CA . 53113 1 364 . 1 . 1 106 106 THR N N 15 114.680 0.013 . 1 . . . . . 435 THR N . 53113 1 365 . 1 . 1 109 109 THR C C 13 174.095 0.000 . 1 . . . . . 438 THR C . 53113 1 366 . 1 . 1 110 110 ALA H H 1 8.437 0.001 . 1 . . . . . 439 ALA H . 53113 1 367 . 1 . 1 110 110 ALA C C 13 178.085 0.000 . 1 . . . . . 439 ALA C . 53113 1 368 . 1 . 1 110 110 ALA CA C 13 52.873 0.000 . 1 . . . . . 439 ALA CA . 53113 1 369 . 1 . 1 110 110 ALA N N 15 126.207 0.010 . 1 . . . . . 439 ALA N . 53113 1 370 . 1 . 1 111 111 GLU H H 1 8.488 0.000 . 1 . . . . . 440 GLU H . 53113 1 371 . 1 . 1 111 111 GLU C C 13 176.943 0.000 . 1 . . . . . 440 GLU C . 53113 1 372 . 1 . 1 111 111 GLU CA C 13 57.032 0.000 . 1 . . . . . 440 GLU CA . 53113 1 373 . 1 . 1 111 111 GLU N N 15 119.879 0.003 . 1 . . . . . 440 GLU N . 53113 1 374 . 1 . 1 112 112 GLU H H 1 8.484 0.001 . 1 . . . . . 441 GLU H . 53113 1 375 . 1 . 1 112 112 GLU C C 13 177.218 0.000 . 1 . . . . . 441 GLU C . 53113 1 376 . 1 . 1 112 112 GLU CA C 13 57.218 0.000 . 1 . . . . . 441 GLU CA . 53113 1 377 . 1 . 1 112 112 GLU N N 15 121.633 0.010 . 1 . . . . . 441 GLU N . 53113 1 378 . 1 . 1 113 113 GLY H H 1 8.513 0.004 . 1 . . . . . 442 GLY H . 53113 1 379 . 1 . 1 113 113 GLY C C 13 174.031 0.000 . 1 . . . . . 442 GLY C . 53113 1 380 . 1 . 1 113 113 GLY CA C 13 45.508 0.000 . 1 . . . . . 442 GLY CA . 53113 1 381 . 1 . 1 113 113 GLY N N 15 109.743 0.019 . 1 . . . . . 442 GLY N . 53113 1 382 . 1 . 1 114 114 GLN H H 1 8.099 0.005 . 1 . . . . . 443 GLN H . 53113 1 383 . 1 . 1 114 114 GLN CA C 13 55.577 0.000 . 1 . . . . . 443 GLN CA . 53113 1 384 . 1 . 1 114 114 GLN N N 15 119.545 0.005 . 1 . . . . . 443 GLN N . 53113 1 stop_ save_