################################### # 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 53104 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Tau-5* dC448' _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' . . . 53104 1 2 '3D HNCO' . . . 53104 1 3 '3D HNCA' . . . 53104 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 . . 53104 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 8.684 0.002 . 1 . . . . . 330 ALA H . 53104 1 2 . 1 . 1 1 1 ALA C C 13 177.750 0.000 . 1 . . . . . 330 ALA C . 53104 1 3 . 1 . 1 1 1 ALA CA C 13 52.352 0.000 . 1 . . . . . 330 ALA CA . 53104 1 4 . 1 . 1 1 1 ALA N N 15 125.204 0.000 . 1 . . . . . 330 ALA N . 53104 1 5 . 1 . 1 2 2 ALA H H 1 8.578 0.003 . 1 . . . . . 331 ALA H . 53104 1 6 . 1 . 1 2 2 ALA C C 13 178.500 0.000 . 1 . . . . . 331 ALA C . 53104 1 7 . 1 . 1 2 2 ALA CA C 13 52.859 0.000 . 1 . . . . . 331 ALA CA . 53104 1 8 . 1 . 1 2 2 ALA N N 15 124.289 0.006 . 1 . . . . . 331 ALA N . 53104 1 9 . 1 . 1 3 3 GLY H H 1 8.567 0.001 . 1 . . . . . 332 GLY H . 53104 1 10 . 1 . 1 3 3 GLY CA C 13 45.217 0.000 . 1 . . . . . 332 GLY CA . 53104 1 11 . 1 . 1 3 3 GLY N N 15 108.921 0.011 . 1 . . . . . 332 GLY N . 53104 1 12 . 1 . 1 4 4 SER H H 1 8.348 0.000 . 1 . . . . . 333 SER H . 53104 1 13 . 1 . 1 4 4 SER N N 15 115.672 0.000 . 1 . . . . . 333 SER N . 53104 1 14 . 1 . 1 5 5 SER H H 1 8.632 0.000 . 1 . . . . . 334 SER H . 53104 1 15 . 1 . 1 5 5 SER C C 13 175.079 0.000 . 1 . . . . . 334 SER C . 53104 1 16 . 1 . 1 5 5 SER N N 15 118.044 0.000 . 1 . . . . . 334 SER N . 53104 1 17 . 1 . 1 6 6 GLY H H 1 8.543 0.004 . 1 . . . . . 335 GLY H . 53104 1 18 . 1 . 1 6 6 GLY C C 13 174.238 0.000 . 1 . . . . . 335 GLY C . 53104 1 19 . 1 . 1 6 6 GLY CA C 13 45.269 0.000 . 1 . . . . . 335 GLY CA . 53104 1 20 . 1 . 1 6 6 GLY N N 15 110.998 0.017 . 1 . . . . . 335 GLY N . 53104 1 21 . 1 . 1 7 7 THR H H 1 8.165 0.001 . 1 . . . . . 336 THR H . 53104 1 22 . 1 . 1 7 7 THR C C 13 174.449 0.000 . 1 . . . . . 336 THR C . 53104 1 23 . 1 . 1 7 7 THR CA C 13 61.866 0.000 . 1 . . . . . 336 THR CA . 53104 1 24 . 1 . 1 7 7 THR N N 15 114.382 0.007 . 1 . . . . . 336 THR N . 53104 1 25 . 1 . 1 8 8 LEU H H 1 8.425 0.002 . 1 . . . . . 337 LEU H . 53104 1 26 . 1 . 1 8 8 LEU C C 13 177.088 0.000 . 1 . . . . . 337 LEU C . 53104 1 27 . 1 . 1 8 8 LEU CA C 13 55.166 0.000 . 1 . . . . . 337 LEU CA . 53104 1 28 . 1 . 1 8 8 LEU N N 15 125.074 0.014 . 1 . . . . . 337 LEU N . 53104 1 29 . 1 . 1 9 9 GLU H H 1 8.469 0.001 . 1 . . . . . 338 GLU H . 53104 1 30 . 1 . 1 9 9 GLU C C 13 176.033 0.000 . 1 . . . . . 338 GLU C . 53104 1 31 . 1 . 1 9 9 GLU CA C 13 56.105 0.000 . 1 . . . . . 338 GLU CA . 53104 1 32 . 1 . 1 9 9 GLU N N 15 122.664 0.001 . 1 . . . . . 338 GLU N . 53104 1 33 . 1 . 1 10 10 LEU H H 1 8.491 0.000 . 1 . . . . . 339 LEU H . 53104 1 34 . 1 . 1 10 10 LEU CA C 13 52.918 0.000 . 1 . . . . . 339 LEU CA . 53104 1 35 . 1 . 1 10 10 LEU N N 15 125.468 0.002 . 1 . . . . . 339 LEU N . 53104 1 36 . 1 . 1 11 11 PRO C C 13 177.109 0.000 . 1 . . . . . 340 PRO C . 53104 1 37 . 1 . 1 11 11 PRO CA C 13 63.018 0.000 . 1 . . . . . 340 PRO CA . 53104 1 38 . 1 . 1 12 12 SER H H 1 8.576 0.003 . 1 . . . . . 341 SER H . 53104 1 39 . 1 . 1 12 12 SER C C 13 175.396 0.000 . 1 . . . . . 341 SER C . 53104 1 40 . 1 . 1 12 12 SER CA C 13 58.408 0.000 . 1 . . . . . 341 SER CA . 53104 1 41 . 1 . 1 12 12 SER N N 15 116.109 0.005 . 1 . . . . . 341 SER N . 53104 1 42 . 1 . 1 13 13 THR H H 1 8.324 0.002 . 1 . . . . . 342 THR H . 53104 1 43 . 1 . 1 13 13 THR C C 13 174.797 0.000 . 1 . . . . . 342 THR C . 53104 1 44 . 1 . 1 13 13 THR CA C 13 62.387 0.000 . 1 . . . . . 342 THR CA . 53104 1 45 . 1 . 1 13 13 THR N N 15 116.477 0.006 . 1 . . . . . 342 THR N . 53104 1 46 . 1 . 1 14 14 LEU H H 1 8.222 0.000 . 1 . . . . . 343 LEU H . 53104 1 47 . 1 . 1 14 14 LEU C C 13 177.633 0.000 . 1 . . . . . 343 LEU C . 53104 1 48 . 1 . 1 14 14 LEU CA C 13 55.529 0.000 . 1 . . . . . 343 LEU CA . 53104 1 49 . 1 . 1 14 14 LEU N N 15 123.953 0.004 . 1 . . . . . 343 LEU N . 53104 1 50 . 1 . 1 15 15 SER H H 1 8.349 0.003 . 1 . . . . . 344 SER H . 53104 1 51 . 1 . 1 15 15 SER C C 13 174.689 0.000 . 1 . . . . . 344 SER C . 53104 1 52 . 1 . 1 15 15 SER CA C 13 58.561 0.000 . 1 . . . . . 344 SER CA . 53104 1 53 . 1 . 1 15 15 SER N N 15 116.682 0.009 . 1 . . . . . 344 SER N . 53104 1 54 . 1 . 1 16 16 LEU H H 1 8.239 0.004 . 1 . . . . . 345 LEU H . 53104 1 55 . 1 . 1 16 16 LEU C C 13 177.202 0.000 . 1 . . . . . 345 LEU C . 53104 1 56 . 1 . 1 16 16 LEU CA C 13 55.394 0.000 . 1 . . . . . 345 LEU CA . 53104 1 57 . 1 . 1 16 16 LEU N N 15 124.060 0.018 . 1 . . . . . 345 LEU N . 53104 1 58 . 1 . 1 17 17 TYR H H 1 8.171 0.003 . 1 . . . . . 346 TYR H . 53104 1 59 . 1 . 1 17 17 TYR C C 13 175.775 0.000 . 1 . . . . . 346 TYR C . 53104 1 60 . 1 . 1 17 17 TYR CA C 13 57.979 0.000 . 1 . . . . . 346 TYR CA . 53104 1 61 . 1 . 1 17 17 TYR N N 15 120.556 0.003 . 1 . . . . . 346 TYR N . 53104 1 62 . 1 . 1 18 18 LYS H H 1 8.235 0.001 . 1 . . . . . 347 LYS H . 53104 1 63 . 1 . 1 18 18 LYS C C 13 176.174 0.000 . 1 . . . . . 347 LYS C . 53104 1 64 . 1 . 1 18 18 LYS CA C 13 56.042 0.000 . 1 . . . . . 347 LYS CA . 53104 1 65 . 1 . 1 18 18 LYS N N 15 124.061 0.008 . 1 . . . . . 347 LYS N . 53104 1 66 . 1 . 1 19 19 SER H H 1 8.448 0.001 . 1 . . . . . 348 SER H . 53104 1 67 . 1 . 1 19 19 SER C C 13 175.233 0.000 . 1 . . . . . 348 SER C . 53104 1 68 . 1 . 1 19 19 SER CA C 13 58.617 0.000 . 1 . . . . . 348 SER CA . 53104 1 69 . 1 . 1 19 19 SER N N 15 117.484 0.007 . 1 . . . . . 348 SER N . 53104 1 70 . 1 . 1 20 20 GLY H H 1 8.567 0.003 . 1 . . . . . 349 GLY H . 53104 1 71 . 1 . 1 20 20 GLY C C 13 173.989 0.000 . 1 . . . . . 349 GLY C . 53104 1 72 . 1 . 1 20 20 GLY CA C 13 45.280 0.000 . 1 . . . . . 349 GLY CA . 53104 1 73 . 1 . 1 20 20 GLY N N 15 111.479 0.010 . 1 . . . . . 349 GLY N . 53104 1 74 . 1 . 1 21 21 ALA H H 1 8.203 0.002 . 1 . . . . . 350 ALA H . 53104 1 75 . 1 . 1 21 21 ALA C C 13 178.077 0.000 . 1 . . . . . 350 ALA C . 53104 1 76 . 1 . 1 21 21 ALA CA C 13 52.534 0.000 . 1 . . . . . 350 ALA CA . 53104 1 77 . 1 . 1 21 21 ALA N N 15 123.760 0.006 . 1 . . . . . 350 ALA N . 53104 1 78 . 1 . 1 22 22 LEU H H 1 8.390 0.001 . 1 . . . . . 351 LEU H . 53104 1 79 . 1 . 1 22 22 LEU C C 13 177.408 0.000 . 1 . . . . . 351 LEU C . 53104 1 80 . 1 . 1 22 22 LEU CA C 13 55.326 0.000 . 1 . . . . . 351 LEU CA . 53104 1 81 . 1 . 1 22 22 LEU N N 15 121.162 0.008 . 1 . . . . . 351 LEU N . 53104 1 82 . 1 . 1 23 23 ASP H H 1 8.314 0.000 . 1 . . . . . 352 ASP H . 53104 1 83 . 1 . 1 23 23 ASP C C 13 176.689 0.000 . 1 . . . . . 352 ASP C . 53104 1 84 . 1 . 1 23 23 ASP CA C 13 54.223 0.000 . 1 . . . . . 352 ASP CA . 53104 1 85 . 1 . 1 23 23 ASP N N 15 121.084 0.010 . 1 . . . . . 352 ASP N . 53104 1 86 . 1 . 1 24 24 GLU H H 1 8.457 0.002 . 1 . . . . . 353 GLU H . 53104 1 87 . 1 . 1 24 24 GLU C C 13 176.965 0.000 . 1 . . . . . 353 GLU C . 53104 1 88 . 1 . 1 24 24 GLU CA C 13 57.524 0.000 . 1 . . . . . 353 GLU CA . 53104 1 89 . 1 . 1 24 24 GLU N N 15 122.288 0.015 . 1 . . . . . 353 GLU N . 53104 1 90 . 1 . 1 25 25 ALA H H 1 8.328 0.001 . 1 . . . . . 354 ALA H . 53104 1 91 . 1 . 1 25 25 ALA C C 13 178.405 0.000 . 1 . . . . . 354 ALA C . 53104 1 92 . 1 . 1 25 25 ALA CA C 13 53.170 0.000 . 1 . . . . . 354 ALA CA . 53104 1 93 . 1 . 1 25 25 ALA N N 15 123.642 0.007 . 1 . . . . . 354 ALA N . 53104 1 94 . 1 . 1 26 26 ALA H H 1 8.091 0.001 . 1 . . . . . 355 ALA H . 53104 1 95 . 1 . 1 26 26 ALA C C 13 178.284 0.000 . 1 . . . . . 355 ALA C . 53104 1 96 . 1 . 1 26 26 ALA CA C 13 52.993 0.000 . 1 . . . . . 355 ALA CA . 53104 1 97 . 1 . 1 26 26 ALA N N 15 122.186 0.006 . 1 . . . . . 355 ALA N . 53104 1 98 . 1 . 1 27 27 ALA H H 1 8.128 0.002 . 1 . . . . . 356 ALA H . 53104 1 99 . 1 . 1 27 27 ALA C C 13 178.089 0.000 . 1 . . . . . 356 ALA C . 53104 1 100 . 1 . 1 27 27 ALA CA C 13 52.981 0.000 . 1 . . . . . 356 ALA CA . 53104 1 101 . 1 . 1 27 27 ALA N N 15 122.171 0.002 . 1 . . . . . 356 ALA N . 53104 1 102 . 1 . 1 28 28 TYR H H 1 8.048 0.000 . 1 . . . . . 357 TYR H . 53104 1 103 . 1 . 1 28 28 TYR C C 13 176.097 0.000 . 1 . . . . . 357 TYR C . 53104 1 104 . 1 . 1 28 28 TYR CA C 13 58.398 0.000 . 1 . . . . . 357 TYR CA . 53104 1 105 . 1 . 1 28 28 TYR N N 15 118.805 0.022 . 1 . . . . . 357 TYR N . 53104 1 106 . 1 . 1 29 29 GLN H H 1 8.098 0.001 . 1 . . . . . 358 GLN H . 53104 1 107 . 1 . 1 29 29 GLN C C 13 175.769 0.000 . 1 . . . . . 358 GLN C . 53104 1 108 . 1 . 1 29 29 GLN CA C 13 55.773 0.000 . 1 . . . . . 358 GLN CA . 53104 1 109 . 1 . 1 29 29 GLN N N 15 121.451 0.021 . 1 . . . . . 358 GLN N . 53104 1 110 . 1 . 1 30 30 SER H H 1 8.299 0.001 . 1 . . . . . 359 SER H . 53104 1 111 . 1 . 1 30 30 SER C C 13 174.891 0.000 . 1 . . . . . 359 SER C . 53104 1 112 . 1 . 1 30 30 SER CA C 13 58.699 0.000 . 1 . . . . . 359 SER CA . 53104 1 113 . 1 . 1 30 30 SER N N 15 116.659 0.011 . 1 . . . . . 359 SER N . 53104 1 114 . 1 . 1 31 31 ARG H H 1 8.356 0.003 . 1 . . . . . 360 ARG H . 53104 1 115 . 1 . 1 31 31 ARG C C 13 175.947 0.000 . 1 . . . . . 360 ARG C . 53104 1 116 . 1 . 1 31 31 ARG CA C 13 56.164 0.000 . 1 . . . . . 360 ARG CA . 53104 1 117 . 1 . 1 31 31 ARG N N 15 122.766 0.017 . 1 . . . . . 360 ARG N . 53104 1 118 . 1 . 1 32 32 ASP H H 1 8.330 0.004 . 1 . . . . . 361 ASP H . 53104 1 119 . 1 . 1 32 32 ASP C C 13 176.103 0.000 . 1 . . . . . 361 ASP C . 53104 1 120 . 1 . 1 32 32 ASP CA C 13 54.255 0.000 . 1 . . . . . 361 ASP CA . 53104 1 121 . 1 . 1 32 32 ASP N N 15 120.637 0.019 . 1 . . . . . 361 ASP N . 53104 1 122 . 1 . 1 33 33 TYR H H 1 8.008 0.001 . 1 . . . . . 362 TYR H . 53104 1 123 . 1 . 1 33 33 TYR C C 13 175.653 0.000 . 1 . . . . . 362 TYR C . 53104 1 124 . 1 . 1 33 33 TYR CA C 13 58.728 0.000 . 1 . . . . . 362 TYR CA . 53104 1 125 . 1 . 1 33 33 TYR N N 15 120.312 0.003 . 1 . . . . . 362 TYR N . 53104 1 126 . 1 . 1 34 34 TYR H H 1 8.002 0.005 . 1 . . . . . 363 TYR H . 53104 1 127 . 1 . 1 34 34 TYR C C 13 175.346 0.000 . 1 . . . . . 363 TYR C . 53104 1 128 . 1 . 1 34 34 TYR CA C 13 58.443 0.000 . 1 . . . . . 363 TYR CA . 53104 1 129 . 1 . 1 34 34 TYR N N 15 120.006 0.008 . 1 . . . . . 363 TYR N . 53104 1 130 . 1 . 1 35 35 ASN H H 1 8.015 0.005 . 1 . . . . . 364 ASN H . 53104 1 131 . 1 . 1 35 35 ASN C C 13 174.142 0.000 . 1 . . . . . 364 ASN C . 53104 1 132 . 1 . 1 35 35 ASN CA C 13 52.889 0.000 . 1 . . . . . 364 ASN CA . 53104 1 133 . 1 . 1 35 35 ASN N N 15 119.376 0.011 . 1 . . . . . 364 ASN N . 53104 1 134 . 1 . 1 36 36 PHE H H 1 8.046 0.002 . 1 . . . . . 365 PHE H . 53104 1 135 . 1 . 1 36 36 PHE CA C 13 55.822 0.000 . 1 . . . . . 365 PHE CA . 53104 1 136 . 1 . 1 36 36 PHE N N 15 121.286 0.018 . 1 . . . . . 365 PHE N . 53104 1 137 . 1 . 1 37 37 PRO C C 13 176.988 0.000 . 1 . . . . . 366 PRO C . 53104 1 138 . 1 . 1 37 37 PRO CA C 13 63.240 0.000 . 1 . . . . . 366 PRO CA . 53104 1 139 . 1 . 1 38 38 LEU H H 1 8.352 0.002 . 1 . . . . . 367 LEU H . 53104 1 140 . 1 . 1 38 38 LEU C C 13 177.419 0.000 . 1 . . . . . 367 LEU C . 53104 1 141 . 1 . 1 38 38 LEU CA C 13 55.162 0.000 . 1 . . . . . 367 LEU CA . 53104 1 142 . 1 . 1 38 38 LEU N N 15 122.287 0.014 . 1 . . . . . 367 LEU N . 53104 1 143 . 1 . 1 39 39 ALA H H 1 8.362 0.006 . 1 . . . . . 368 ALA H . 53104 1 144 . 1 . 1 39 39 ALA C C 13 177.645 0.000 . 1 . . . . . 368 ALA C . 53104 1 145 . 1 . 1 39 39 ALA CA C 13 52.374 0.000 . 1 . . . . . 368 ALA CA . 53104 1 146 . 1 . 1 39 39 ALA N N 15 124.928 0.007 . 1 . . . . . 368 ALA N . 53104 1 147 . 1 . 1 40 40 LEU H H 1 8.261 0.002 . 1 . . . . . 369 LEU H . 53104 1 148 . 1 . 1 40 40 LEU C C 13 177.139 0.000 . 1 . . . . . 369 LEU C . 53104 1 149 . 1 . 1 40 40 LEU CA C 13 54.842 0.000 . 1 . . . . . 369 LEU CA . 53104 1 150 . 1 . 1 40 40 LEU N N 15 121.652 0.005 . 1 . . . . . 369 LEU N . 53104 1 151 . 1 . 1 41 41 ALA H H 1 8.359 0.003 . 1 . . . . . 370 ALA H . 53104 1 152 . 1 . 1 41 41 ALA C C 13 177.744 0.000 . 1 . . . . . 370 ALA C . 53104 1 153 . 1 . 1 41 41 ALA CA C 13 52.431 0.000 . 1 . . . . . 370 ALA CA . 53104 1 154 . 1 . 1 41 41 ALA N N 15 125.016 0.006 . 1 . . . . . 370 ALA N . 53104 1 155 . 1 . 1 42 42 GLY H H 1 8.211 0.004 . 1 . . . . . 371 GLY H . 53104 1 156 . 1 . 1 42 42 GLY CA C 13 44.344 0.000 . 1 . . . . . 371 GLY CA . 53104 1 157 . 1 . 1 42 42 GLY N N 15 108.560 0.017 . 1 . . . . . 371 GLY N . 53104 1 158 . 1 . 1 50 50 PRO C C 13 176.344 0.000 . 1 . . . . . 379 PRO C . 53104 1 159 . 1 . 1 51 51 HIS H H 1 8.414 0.004 . 1 . . . . . 380 HIS H . 53104 1 160 . 1 . 1 51 51 HIS CA C 13 54.562 0.000 . 1 . . . . . 380 HIS CA . 53104 1 161 . 1 . 1 51 51 HIS N N 15 121.493 0.000 . 1 . . . . . 380 HIS N . 53104 1 162 . 1 . 1 52 52 PRO C C 13 176.919 0.000 . 1 . . . . . 381 PRO C . 53104 1 163 . 1 . 1 53 53 HIS H H 1 8.845 0.003 . 1 . . . . . 382 HIS H . 53104 1 164 . 1 . 1 53 53 HIS C C 13 175.496 0.000 . 1 . . . . . 382 HIS C . 53104 1 165 . 1 . 1 53 53 HIS N N 15 119.778 0.008 . 1 . . . . . 382 HIS N . 53104 1 166 . 1 . 1 54 54 ALA H H 1 8.277 0.003 . 1 . . . . . 383 ALA H . 53104 1 167 . 1 . 1 54 54 ALA C C 13 177.634 0.000 . 1 . . . . . 383 ALA C . 53104 1 168 . 1 . 1 54 54 ALA CA C 13 52.671 0.000 . 1 . . . . . 383 ALA CA . 53104 1 169 . 1 . 1 54 54 ALA N N 15 124.902 0.015 . 1 . . . . . 383 ALA N . 53104 1 170 . 1 . 1 55 55 ARG H H 1 8.509 0.004 . 1 . . . . . 384 ARG H . 53104 1 171 . 1 . 1 55 55 ARG C C 13 176.344 0.000 . 1 . . . . . 384 ARG C . 53104 1 172 . 1 . 1 55 55 ARG CA C 13 56.156 0.000 . 1 . . . . . 384 ARG CA . 53104 1 173 . 1 . 1 55 55 ARG N N 15 120.782 0.007 . 1 . . . . . 384 ARG N . 53104 1 174 . 1 . 1 56 56 ILE H H 1 8.250 0.002 . 1 . . . . . 385 ILE H . 53104 1 175 . 1 . 1 56 56 ILE C C 13 175.980 0.000 . 1 . . . . . 385 ILE C . 53104 1 176 . 1 . 1 56 56 ILE CA C 13 61.146 0.000 . 1 . . . . . 385 ILE CA . 53104 1 177 . 1 . 1 56 56 ILE N N 15 122.622 0.018 . 1 . . . . . 385 ILE N . 53104 1 178 . 1 . 1 57 57 LYS H H 1 8.484 0.002 . 1 . . . . . 386 LYS H . 53104 1 179 . 1 . 1 57 57 LYS C C 13 176.077 0.000 . 1 . . . . . 386 LYS C . 53104 1 180 . 1 . 1 57 57 LYS CA C 13 56.160 0.000 . 1 . . . . . 386 LYS CA . 53104 1 181 . 1 . 1 57 57 LYS N N 15 126.264 0.016 . 1 . . . . . 386 LYS N . 53104 1 182 . 1 . 1 58 58 LEU H H 1 8.420 0.000 . 1 . . . . . 387 LEU H . 53104 1 183 . 1 . 1 58 58 LEU C C 13 177.186 0.000 . 1 . . . . . 387 LEU C . 53104 1 184 . 1 . 1 58 58 LEU CA C 13 54.817 0.000 . 1 . . . . . 387 LEU CA . 53104 1 185 . 1 . 1 58 58 LEU N N 15 125.087 0.003 . 1 . . . . . 387 LEU N . 53104 1 186 . 1 . 1 59 59 GLU H H 1 8.547 0.002 . 1 . . . . . 388 GLU H . 53104 1 187 . 1 . 1 59 59 GLU C C 13 175.833 0.000 . 1 . . . . . 388 GLU C . 53104 1 188 . 1 . 1 59 59 GLU CA C 13 56.437 0.000 . 1 . . . . . 388 GLU CA . 53104 1 189 . 1 . 1 59 59 GLU N N 15 122.075 0.014 . 1 . . . . . 388 GLU N . 53104 1 190 . 1 . 1 60 60 ASN H H 1 8.605 0.005 . 1 . . . . . 389 ASN H . 53104 1 191 . 1 . 1 60 60 ASN CA C 13 50.899 0.000 . 1 . . . . . 389 ASN CA . 53104 1 192 . 1 . 1 60 60 ASN N N 15 120.413 0.017 . 1 . . . . . 389 ASN N . 53104 1 193 . 1 . 1 61 61 PRO C C 13 177.242 0.000 . 1 . . . . . 390 PRO C . 53104 1 194 . 1 . 1 61 61 PRO CA C 13 63.577 0.000 . 1 . . . . . 390 PRO CA . 53104 1 195 . 1 . 1 62 62 LEU H H 1 8.220 0.004 . 1 . . . . . 391 LEU H . 53104 1 196 . 1 . 1 62 62 LEU C C 13 177.257 0.000 . 1 . . . . . 391 LEU C . 53104 1 197 . 1 . 1 62 62 LEU CA C 13 55.363 0.000 . 1 . . . . . 391 LEU CA . 53104 1 198 . 1 . 1 62 62 LEU N N 15 119.918 0.005 . 1 . . . . . 391 LEU N . 53104 1 199 . 1 . 1 63 63 ASP H H 1 8.023 0.003 . 1 . . . . . 392 ASP H . 53104 1 200 . 1 . 1 63 63 ASP C C 13 176.195 0.000 . 1 . . . . . 392 ASP C . 53104 1 201 . 1 . 1 63 63 ASP CA C 13 53.959 0.000 . 1 . . . . . 392 ASP CA . 53104 1 202 . 1 . 1 63 63 ASP N N 15 119.896 0.022 . 1 . . . . . 392 ASP N . 53104 1 203 . 1 . 1 64 64 TYR H H 1 8.079 0.001 . 1 . . . . . 393 TYR H . 53104 1 204 . 1 . 1 64 64 TYR C C 13 176.786 0.000 . 1 . . . . . 393 TYR C . 53104 1 205 . 1 . 1 64 64 TYR CA C 13 58.766 0.000 . 1 . . . . . 393 TYR CA . 53104 1 206 . 1 . 1 64 64 TYR N N 15 121.139 0.014 . 1 . . . . . 393 TYR N . 53104 1 207 . 1 . 1 65 65 GLY H H 1 8.452 0.003 . 1 . . . . . 394 GLY H . 53104 1 208 . 1 . 1 65 65 GLY C C 13 174.900 0.000 . 1 . . . . . 394 GLY C . 53104 1 209 . 1 . 1 65 65 GLY CA C 13 45.547 0.000 . 1 . . . . . 394 GLY CA . 53104 1 210 . 1 . 1 65 65 GLY N N 15 109.682 0.002 . 1 . . . . . 394 GLY N . 53104 1 211 . 1 . 1 66 66 SER H H 1 8.228 0.001 . 1 . . . . . 395 SER H . 53104 1 212 . 1 . 1 66 66 SER C C 13 175.489 0.000 . 1 . . . . . 395 SER C . 53104 1 213 . 1 . 1 66 66 SER N N 15 116.099 0.014 . 1 . . . . . 395 SER N . 53104 1 214 . 1 . 1 67 67 ALA H H 1 8.535 0.001 . 1 . . . . . 396 ALA H . 53104 1 215 . 1 . 1 67 67 ALA C C 13 179.065 0.000 . 1 . . . . . 396 ALA C . 53104 1 216 . 1 . 1 67 67 ALA CA C 13 53.813 0.000 . 1 . . . . . 396 ALA CA . 53104 1 217 . 1 . 1 67 67 ALA N N 15 125.869 0.014 . 1 . . . . . 396 ALA N . 53104 1 218 . 1 . 1 68 68 TRP H H 1 8.173 0.002 . 1 . . . . . 397 TRP H . 53104 1 219 . 1 . 1 68 68 TRP C C 13 177.205 0.000 . 1 . . . . . 397 TRP C . 53104 1 220 . 1 . 1 68 68 TRP CA C 13 58.930 0.000 . 1 . . . . . 397 TRP CA . 53104 1 221 . 1 . 1 68 68 TRP N N 15 119.976 0.009 . 1 . . . . . 397 TRP N . 53104 1 222 . 1 . 1 69 69 ALA H H 1 7.935 0.002 . 1 . . . . . 398 ALA H . 53104 1 223 . 1 . 1 69 69 ALA C C 13 178.789 0.000 . 1 . . . . . 398 ALA C . 53104 1 224 . 1 . 1 69 69 ALA CA C 13 53.601 0.000 . 1 . . . . . 398 ALA CA . 53104 1 225 . 1 . 1 69 69 ALA N N 15 123.901 0.004 . 1 . . . . . 398 ALA N . 53104 1 226 . 1 . 1 70 70 ALA H H 1 7.998 0.000 . 1 . . . . . 399 ALA H . 53104 1 227 . 1 . 1 70 70 ALA C C 13 178.881 0.000 . 1 . . . . . 399 ALA C . 53104 1 228 . 1 . 1 70 70 ALA CA C 13 53.522 0.000 . 1 . . . . . 399 ALA CA . 53104 1 229 . 1 . 1 70 70 ALA N N 15 121.927 0.015 . 1 . . . . . 399 ALA N . 53104 1 230 . 1 . 1 71 71 ALA H H 1 7.972 0.000 . 1 . . . . . 400 ALA H . 53104 1 231 . 1 . 1 71 71 ALA C C 13 178.961 0.000 . 1 . . . . . 400 ALA C . 53104 1 232 . 1 . 1 71 71 ALA CA C 13 53.568 0.000 . 1 . . . . . 400 ALA CA . 53104 1 233 . 1 . 1 71 71 ALA N N 15 121.904 0.014 . 1 . . . . . 400 ALA N . 53104 1 234 . 1 . 1 72 72 ALA H H 1 8.110 0.001 . 1 . . . . . 401 ALA H . 53104 1 235 . 1 . 1 72 72 ALA C C 13 178.724 0.000 . 1 . . . . . 401 ALA C . 53104 1 236 . 1 . 1 72 72 ALA CA C 13 53.557 0.000 . 1 . . . . . 401 ALA CA . 53104 1 237 . 1 . 1 72 72 ALA N N 15 122.061 0.013 . 1 . . . . . 401 ALA N . 53104 1 238 . 1 . 1 73 73 ALA H H 1 7.962 0.000 . 1 . . . . . 402 ALA H . 53104 1 239 . 1 . 1 73 73 ALA C C 13 178.402 0.000 . 1 . . . . . 402 ALA C . 53104 1 240 . 1 . 1 73 73 ALA CA C 13 53.110 0.000 . 1 . . . . . 402 ALA CA . 53104 1 241 . 1 . 1 73 73 ALA N N 15 121.270 0.006 . 1 . . . . . 402 ALA N . 53104 1 242 . 1 . 1 74 74 GLN H H 1 8.031 0.002 . 1 . . . . . 403 GLN H . 53104 1 243 . 1 . 1 74 74 GLN C C 13 176.361 0.000 . 1 . . . . . 403 GLN C . 53104 1 244 . 1 . 1 74 74 GLN CA C 13 56.361 0.000 . 1 . . . . . 403 GLN CA . 53104 1 245 . 1 . 1 74 74 GLN N N 15 117.837 0.012 . 1 . . . . . 403 GLN N . 53104 1 246 . 1 . 1 75 75 CYS H H 1 8.141 0.002 . 1 . . . . . 404 CYS H . 53104 1 247 . 1 . 1 75 75 CYS C C 13 174.683 0.000 . 1 . . . . . 404 CYS C . 53104 1 248 . 1 . 1 75 75 CYS CA C 13 59.393 0.000 . 1 . . . . . 404 CYS CA . 53104 1 249 . 1 . 1 75 75 CYS N N 15 119.542 0.005 . 1 . . . . . 404 CYS N . 53104 1 250 . 1 . 1 76 76 ARG H H 1 8.310 0.000 . 1 . . . . . 405 ARG H . 53104 1 251 . 1 . 1 76 76 ARG C C 13 176.199 0.000 . 1 . . . . . 405 ARG C . 53104 1 252 . 1 . 1 76 76 ARG CA C 13 56.650 0.000 . 1 . . . . . 405 ARG CA . 53104 1 253 . 1 . 1 76 76 ARG N N 15 122.895 0.037 . 1 . . . . . 405 ARG N . 53104 1 254 . 1 . 1 77 77 TYR H H 1 8.330 0.002 . 1 . . . . . 406 TYR H . 53104 1 255 . 1 . 1 77 77 TYR C C 13 176.638 0.000 . 1 . . . . . 406 TYR C . 53104 1 256 . 1 . 1 77 77 TYR CA C 13 58.346 0.000 . 1 . . . . . 406 TYR CA . 53104 1 257 . 1 . 1 77 77 TYR N N 15 120.673 0.025 . 1 . . . . . 406 TYR N . 53104 1 258 . 1 . 1 78 78 GLY H H 1 8.365 0.008 . 1 . . . . . 407 GLY H . 53104 1 259 . 1 . 1 78 78 GLY C C 13 173.977 0.000 . 1 . . . . . 407 GLY C . 53104 1 260 . 1 . 1 78 78 GLY CA C 13 45.246 0.000 . 1 . . . . . 407 GLY CA . 53104 1 261 . 1 . 1 78 78 GLY N N 15 110.240 0.013 . 1 . . . . . 407 GLY N . 53104 1 262 . 1 . 1 79 79 ASP H H 1 8.252 0.002 . 1 . . . . . 408 ASP H . 53104 1 263 . 1 . 1 79 79 ASP C C 13 176.857 0.000 . 1 . . . . . 408 ASP C . 53104 1 264 . 1 . 1 79 79 ASP CA C 13 54.365 0.000 . 1 . . . . . 408 ASP CA . 53104 1 265 . 1 . 1 79 79 ASP N N 15 120.617 0.013 . 1 . . . . . 408 ASP N . 53104 1 266 . 1 . 1 80 80 LEU H H 1 8.313 0.002 . 1 . . . . . 409 LEU H . 53104 1 267 . 1 . 1 80 80 LEU C C 13 177.954 0.000 . 1 . . . . . 409 LEU C . 53104 1 268 . 1 . 1 80 80 LEU CA C 13 55.882 0.000 . 1 . . . . . 409 LEU CA . 53104 1 269 . 1 . 1 80 80 LEU N N 15 122.692 0.014 . 1 . . . . . 409 LEU N . 53104 1 270 . 1 . 1 81 81 ALA H H 1 8.306 0.002 . 1 . . . . . 410 ALA H . 53104 1 271 . 1 . 1 81 81 ALA C C 13 178.613 0.000 . 1 . . . . . 410 ALA C . 53104 1 272 . 1 . 1 81 81 ALA CA C 13 53.468 0.000 . 1 . . . . . 410 ALA CA . 53104 1 273 . 1 . 1 81 81 ALA N N 15 123.212 0.014 . 1 . . . . . 410 ALA N . 53104 1 274 . 1 . 1 82 82 SER H H 1 8.113 0.002 . 1 . . . . . 411 SER H . 53104 1 275 . 1 . 1 82 82 SER C C 13 175.041 0.000 . 1 . . . . . 411 SER C . 53104 1 276 . 1 . 1 82 82 SER CA C 13 58.898 0.000 . 1 . . . . . 411 SER CA . 53104 1 277 . 1 . 1 82 82 SER N N 15 113.877 0.006 . 1 . . . . . 411 SER N . 53104 1 278 . 1 . 1 83 83 LEU H H 1 8.078 0.001 . 1 . . . . . 412 LEU H . 53104 1 279 . 1 . 1 83 83 LEU C C 13 177.525 0.000 . 1 . . . . . 412 LEU C . 53104 1 280 . 1 . 1 83 83 LEU CA C 13 55.674 0.000 . 1 . . . . . 412 LEU CA . 53104 1 281 . 1 . 1 83 83 LEU N N 15 123.384 0.017 . 1 . . . . . 412 LEU N . 53104 1 282 . 1 . 1 84 84 HIS H H 1 8.203 0.000 . 1 . . . . . 413 HIS H . 53104 1 283 . 1 . 1 84 84 HIS C C 13 176.155 0.000 . 1 . . . . . 413 HIS C . 53104 1 284 . 1 . 1 84 84 HIS CA C 13 56.483 0.000 . 1 . . . . . 413 HIS CA . 53104 1 285 . 1 . 1 84 84 HIS N N 15 118.885 0.004 . 1 . . . . . 413 HIS N . 53104 1 286 . 1 . 1 85 85 GLY H H 1 8.320 0.002 . 1 . . . . . 414 GLY H . 53104 1 287 . 1 . 1 85 85 GLY C C 13 174.112 0.000 . 1 . . . . . 414 GLY C . 53104 1 288 . 1 . 1 85 85 GLY CA C 13 45.320 0.000 . 1 . . . . . 414 GLY CA . 53104 1 289 . 1 . 1 85 85 GLY N N 15 109.878 0.021 . 1 . . . . . 414 GLY N . 53104 1 290 . 1 . 1 86 86 ALA H H 1 8.335 0.004 . 1 . . . . . 415 ALA H . 53104 1 291 . 1 . 1 86 86 ALA C C 13 178.444 0.000 . 1 . . . . . 415 ALA C . 53104 1 292 . 1 . 1 86 86 ALA CA C 13 52.721 0.000 . 1 . . . . . 415 ALA CA . 53104 1 293 . 1 . 1 86 86 ALA N N 15 123.916 0.004 . 1 . . . . . 415 ALA N . 53104 1 294 . 1 . 1 87 87 GLY H H 1 8.490 0.002 . 1 . . . . . 416 GLY H . 53104 1 295 . 1 . 1 87 87 GLY C C 13 174.036 0.000 . 1 . . . . . 416 GLY C . 53104 1 296 . 1 . 1 87 87 GLY CA C 13 45.125 0.000 . 1 . . . . . 416 GLY CA . 53104 1 297 . 1 . 1 87 87 GLY N N 15 108.282 0.006 . 1 . . . . . 416 GLY N . 53104 1 298 . 1 . 1 88 88 ALA H H 1 8.181 0.003 . 1 . . . . . 417 ALA H . 53104 1 299 . 1 . 1 88 88 ALA C C 13 177.500 0.000 . 1 . . . . . 417 ALA C . 53104 1 300 . 1 . 1 88 88 ALA CA C 13 52.406 0.000 . 1 . . . . . 417 ALA CA . 53104 1 301 . 1 . 1 88 88 ALA N N 15 123.832 0.007 . 1 . . . . . 417 ALA N . 53104 1 302 . 1 . 1 89 89 ALA H H 1 8.378 0.002 . 1 . . . . . 418 ALA H . 53104 1 303 . 1 . 1 89 89 ALA C C 13 177.907 0.000 . 1 . . . . . 418 ALA C . 53104 1 304 . 1 . 1 89 89 ALA CA C 13 52.241 0.000 . 1 . . . . . 418 ALA CA . 53104 1 305 . 1 . 1 89 89 ALA N N 15 123.110 0.010 . 1 . . . . . 418 ALA N . 53104 1 306 . 1 . 1 90 90 GLY H H 1 8.225 0.000 . 1 . . . . . 419 GLY H . 53104 1 307 . 1 . 1 90 90 GLY CA C 13 44.488 0.000 . 1 . . . . . 419 GLY CA . 53104 1 308 . 1 . 1 90 90 GLY N N 15 108.123 0.001 . 1 . . . . . 419 GLY N . 53104 1 309 . 1 . 1 91 91 PRO C C 13 177.859 0.000 . 1 . . . . . 420 PRO C . 53104 1 310 . 1 . 1 92 92 GLY H H 1 8.700 0.003 . 1 . . . . . 421 GLY H . 53104 1 311 . 1 . 1 92 92 GLY C C 13 174.463 0.000 . 1 . . . . . 421 GLY C . 53104 1 312 . 1 . 1 92 92 GLY CA C 13 45.202 0.000 . 1 . . . . . 421 GLY CA . 53104 1 313 . 1 . 1 92 92 GLY N N 15 110.132 0.007 . 1 . . . . . 421 GLY N . 53104 1 314 . 1 . 1 93 93 SER H H 1 8.311 0.003 . 1 . . . . . 422 SER H . 53104 1 315 . 1 . 1 93 93 SER C C 13 175.140 0.000 . 1 . . . . . 422 SER C . 53104 1 316 . 1 . 1 93 93 SER N N 15 115.670 0.011 . 1 . . . . . 422 SER N . 53104 1 317 . 1 . 1 94 94 GLY H H 1 8.592 0.001 . 1 . . . . . 423 GLY H . 53104 1 318 . 1 . 1 94 94 GLY C C 13 173.818 0.000 . 1 . . . . . 423 GLY C . 53104 1 319 . 1 . 1 94 94 GLY CA C 13 44.995 0.000 . 1 . . . . . 423 GLY CA . 53104 1 320 . 1 . 1 94 94 GLY N N 15 110.954 0.004 . 1 . . . . . 423 GLY N . 53104 1 321 . 1 . 1 95 95 SER H H 1 8.279 0.002 . 1 . . . . . 424 SER H . 53104 1 322 . 1 . 1 95 95 SER CA C 13 56.342 0.000 . 1 . . . . . 424 SER CA . 53104 1 323 . 1 . 1 95 95 SER N N 15 116.915 0.022 . 1 . . . . . 424 SER N . 53104 1 324 . 1 . 1 96 96 PRO C C 13 177.137 0.000 . 1 . . . . . 425 PRO C . 53104 1 325 . 1 . 1 97 97 SER H H 1 8.453 0.004 . 1 . . . . . 426 SER H . 53104 1 326 . 1 . 1 97 97 SER C C 13 174.578 0.000 . 1 . . . . . 426 SER C . 53104 1 327 . 1 . 1 97 97 SER CA C 13 58.269 0.000 . 1 . . . . . 426 SER CA . 53104 1 328 . 1 . 1 97 97 SER N N 15 115.990 0.015 . 1 . . . . . 426 SER N . 53104 1 329 . 1 . 1 98 98 ALA H H 1 8.416 0.001 . 1 . . . . . 427 ALA H . 53104 1 330 . 1 . 1 98 98 ALA C C 13 177.767 0.000 . 1 . . . . . 427 ALA C . 53104 1 331 . 1 . 1 98 98 ALA CA C 13 52.730 0.000 . 1 . . . . . 427 ALA CA . 53104 1 332 . 1 . 1 98 98 ALA N N 15 126.400 0.004 . 1 . . . . . 427 ALA N . 53104 1 333 . 1 . 1 99 99 ALA H H 1 8.295 0.002 . 1 . . . . . 428 ALA H . 53104 1 334 . 1 . 1 99 99 ALA C C 13 177.961 0.000 . 1 . . . . . 428 ALA C . 53104 1 335 . 1 . 1 99 99 ALA CA C 13 52.599 0.000 . 1 . . . . . 428 ALA CA . 53104 1 336 . 1 . 1 99 99 ALA N N 15 123.009 0.005 . 1 . . . . . 428 ALA N . 53104 1 337 . 1 . 1 100 100 ALA H H 1 8.303 0.001 . 1 . . . . . 429 ALA H . 53104 1 338 . 1 . 1 100 100 ALA C C 13 178.134 0.000 . 1 . . . . . 429 ALA C . 53104 1 339 . 1 . 1 100 100 ALA CA C 13 52.790 0.000 . 1 . . . . . 429 ALA CA . 53104 1 340 . 1 . 1 100 100 ALA N N 15 123.103 0.062 . 1 . . . . . 429 ALA N . 53104 1 341 . 1 . 1 101 101 SER H H 1 8.283 0.001 . 1 . . . . . 430 SER H . 53104 1 342 . 1 . 1 101 101 SER C C 13 173.733 0.000 . 1 . . . . . 430 SER C . 53104 1 343 . 1 . 1 101 101 SER CA C 13 58.350 0.000 . 1 . . . . . 430 SER CA . 53104 1 344 . 1 . 1 101 101 SER N N 15 114.806 0.007 . 1 . . . . . 430 SER N . 53104 1 345 . 1 . 1 102 102 SER H H 1 8.386 0.000 . 1 . . . . . 431 SER H . 53104 1 346 . 1 . 1 102 102 SER CA C 13 58.523 0.000 . 1 . . . . . 431 SER CA . 53104 1 347 . 1 . 1 102 102 SER N N 15 117.833 0.022 . 1 . . . . . 431 SER N . 53104 1 348 . 1 . 1 103 103 SER H H 1 8.362 0.003 . 1 . . . . . 432 SER H . 53104 1 349 . 1 . 1 103 103 SER C C 13 174.473 0.000 . 1 . . . . . 432 SER C . 53104 1 350 . 1 . 1 103 103 SER CA C 13 58.602 0.000 . 1 . . . . . 432 SER CA . 53104 1 351 . 1 . 1 103 103 SER N N 15 117.499 0.011 . 1 . . . . . 432 SER N . 53104 1 352 . 1 . 1 104 104 TRP H H 1 8.080 0.003 . 1 . . . . . 433 TRP H . 53104 1 353 . 1 . 1 104 104 TRP C C 13 176.168 0.000 . 1 . . . . . 433 TRP C . 53104 1 354 . 1 . 1 104 104 TRP CA C 13 57.760 0.000 . 1 . . . . . 433 TRP CA . 53104 1 355 . 1 . 1 104 104 TRP N N 15 122.650 0.002 . 1 . . . . . 433 TRP N . 53104 1 356 . 1 . 1 105 105 HIS H H 1 7.917 0.001 . 1 . . . . . 434 HIS H . 53104 1 357 . 1 . 1 105 105 HIS C C 13 175.428 0.000 . 1 . . . . . 434 HIS C . 53104 1 358 . 1 . 1 105 105 HIS CA C 13 56.681 0.000 . 1 . . . . . 434 HIS CA . 53104 1 359 . 1 . 1 105 105 HIS N N 15 119.946 0.001 . 1 . . . . . 434 HIS N . 53104 1 360 . 1 . 1 106 106 THR H H 1 7.965 0.003 . 1 . . . . . 435 THR H . 53104 1 361 . 1 . 1 106 106 THR C C 13 174.305 0.000 . 1 . . . . . 435 THR C . 53104 1 362 . 1 . 1 106 106 THR CA C 13 62.239 0.000 . 1 . . . . . 435 THR CA . 53104 1 363 . 1 . 1 106 106 THR N N 15 115.058 0.009 . 1 . . . . . 435 THR N . 53104 1 364 . 1 . 1 107 107 LEU H H 1 8.209 0.002 . 1 . . . . . 436 LEU H . 53104 1 365 . 1 . 1 107 107 LEU C C 13 176.965 0.000 . 1 . . . . . 436 LEU C . 53104 1 366 . 1 . 1 107 107 LEU CA C 13 55.359 0.000 . 1 . . . . . 436 LEU CA . 53104 1 367 . 1 . 1 107 107 LEU N N 15 124.090 0.015 . 1 . . . . . 436 LEU N . 53104 1 368 . 1 . 1 108 108 PHE H H 1 8.231 0.002 . 1 . . . . . 437 PHE H . 53104 1 369 . 1 . 1 108 108 PHE C C 13 175.785 0.000 . 1 . . . . . 437 PHE C . 53104 1 370 . 1 . 1 108 108 PHE CA C 13 57.697 0.000 . 1 . . . . . 437 PHE CA . 53104 1 371 . 1 . 1 108 108 PHE N N 15 120.886 0.015 . 1 . . . . . 437 PHE N . 53104 1 372 . 1 . 1 109 109 THR H H 1 8.159 0.001 . 1 . . . . . 438 THR H . 53104 1 373 . 1 . 1 109 109 THR C C 13 173.983 0.000 . 1 . . . . . 438 THR C . 53104 1 374 . 1 . 1 109 109 THR CA C 13 61.478 0.000 . 1 . . . . . 438 THR CA . 53104 1 375 . 1 . 1 109 109 THR N N 15 116.308 0.009 . 1 . . . . . 438 THR N . 53104 1 376 . 1 . 1 110 110 ALA H H 1 8.426 0.000 . 1 . . . . . 439 ALA H . 53104 1 377 . 1 . 1 110 110 ALA C C 13 178.000 0.000 . 1 . . . . . 439 ALA C . 53104 1 378 . 1 . 1 110 110 ALA CA C 13 52.670 0.000 . 1 . . . . . 439 ALA CA . 53104 1 379 . 1 . 1 110 110 ALA N N 15 126.443 0.001 . 1 . . . . . 439 ALA N . 53104 1 380 . 1 . 1 111 111 GLU H H 1 8.495 0.000 . 1 . . . . . 440 GLU H . 53104 1 381 . 1 . 1 111 111 GLU C C 13 176.921 0.000 . 1 . . . . . 440 GLU C . 53104 1 382 . 1 . 1 111 111 GLU CA C 13 56.833 0.000 . 1 . . . . . 440 GLU CA . 53104 1 383 . 1 . 1 111 111 GLU N N 15 120.166 0.009 . 1 . . . . . 440 GLU N . 53104 1 384 . 1 . 1 112 112 GLU H H 1 8.508 0.000 . 1 . . . . . 441 GLU H . 53104 1 385 . 1 . 1 112 112 GLU C C 13 177.306 0.000 . 1 . . . . . 441 GLU C . 53104 1 386 . 1 . 1 112 112 GLU CA C 13 57.090 0.000 . 1 . . . . . 441 GLU CA . 53104 1 387 . 1 . 1 112 112 GLU N N 15 122.042 0.013 . 1 . . . . . 441 GLU N . 53104 1 388 . 1 . 1 113 113 GLY H H 1 8.539 0.002 . 1 . . . . . 442 GLY H . 53104 1 389 . 1 . 1 113 113 GLY C C 13 174.133 0.000 . 1 . . . . . 442 GLY C . 53104 1 390 . 1 . 1 113 113 GLY CA C 13 45.352 0.000 . 1 . . . . . 442 GLY CA . 53104 1 391 . 1 . 1 113 113 GLY N N 15 109.895 0.019 . 1 . . . . . 442 GLY N . 53104 1 392 . 1 . 1 114 114 GLN H H 1 8.158 0.002 . 1 . . . . . 443 GLN H . 53104 1 393 . 1 . 1 114 114 GLN C C 13 175.766 0.000 . 1 . . . . . 443 GLN C . 53104 1 394 . 1 . 1 114 114 GLN CA C 13 55.582 0.000 . 1 . . . . . 443 GLN CA . 53104 1 395 . 1 . 1 114 114 GLN N N 15 119.684 0.009 . 1 . . . . . 443 GLN N . 53104 1 396 . 1 . 1 115 115 LEU H H 1 8.285 0.001 . 1 . . . . . 444 LEU H . 53104 1 397 . 1 . 1 115 115 LEU C C 13 176.978 0.000 . 1 . . . . . 444 LEU C . 53104 1 398 . 1 . 1 115 115 LEU CA C 13 55.081 0.000 . 1 . . . . . 444 LEU CA . 53104 1 399 . 1 . 1 115 115 LEU N N 15 123.360 0.018 . 1 . . . . . 444 LEU N . 53104 1 400 . 1 . 1 116 116 TYR H H 1 8.295 0.002 . 1 . . . . . 445 TYR H . 53104 1 401 . 1 . 1 116 116 TYR C C 13 175.843 0.000 . 1 . . . . . 445 TYR C . 53104 1 402 . 1 . 1 116 116 TYR CA C 13 57.458 0.000 . 1 . . . . . 445 TYR CA . 53104 1 403 . 1 . 1 116 116 TYR N N 15 120.315 0.003 . 1 . . . . . 445 TYR N . 53104 1 404 . 1 . 1 117 117 GLY H H 1 8.189 0.001 . 1 . . . . . 446 GLY H . 53104 1 405 . 1 . 1 117 117 GLY CA C 13 44.508 0.000 . 1 . . . . . 446 GLY CA . 53104 1 406 . 1 . 1 117 117 GLY N N 15 110.925 0.003 . 1 . . . . . 446 GLY N . 53104 1 stop_ save_