################################### # 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_Nat_Shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Nat_Shift _Assigned_chem_shift_list.Entry_ID 4785 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4785 1 . . 2 $sample_2 . 4785 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 MET C C 13 175.403 0.2 . 1 . . . . . . . . 4785 1 2 . 1 1 1 1 MET CA C 13 53.993 0.2 . 1 . . . . . . . . 4785 1 3 . 1 1 2 2 ALA H H 1 8.17 0.05 . 1 . . . . . . . . 4785 1 4 . 1 1 2 2 ALA C C 13 177.267 0.2 . 1 . . . . . . . . 4785 1 5 . 1 1 2 2 ALA CA C 13 50.773 0.2 . 1 . . . . . . . . 4785 1 6 . 1 1 2 2 ALA N N 15 124.411 0.1 . 1 . . . . . . . . 4785 1 7 . 1 1 3 3 LYS H H 1 8.714 0.05 . 1 . . . . . . . . 4785 1 8 . 1 1 3 3 LYS CA C 13 54.071 0.2 . 1 . . . . . . . . 4785 1 9 . 1 1 3 3 LYS N N 15 120.711 0.1 . 1 . . . . . . . . 4785 1 10 . 1 1 4 4 LEU C C 13 177.338 0.2 . 1 . . . . . . . . 4785 1 11 . 1 1 4 4 LEU CA C 13 55.471 0.2 . 1 . . . . . . . . 4785 1 12 . 1 1 5 5 THR H H 1 8.995 0.05 . 1 . . . . . . . . 4785 1 13 . 1 1 5 5 THR C C 13 175.772 0.2 . 1 . . . . . . . . 4785 1 14 . 1 1 5 5 THR CA C 13 62.636 0.2 . 1 . . . . . . . . 4785 1 15 . 1 1 5 5 THR N N 15 115.39 0.1 . 1 . . . . . . . . 4785 1 16 . 1 1 6 6 SER H H 1 7.603 0.05 . 1 . . . . . . . . 4785 1 17 . 1 1 6 6 SER C C 13 171.982 0.2 . 1 . . . . . . . . 4785 1 18 . 1 1 6 6 SER CA C 13 57.925 0.2 . 1 . . . . . . . . 4785 1 19 . 1 1 6 6 SER N N 15 114.176 0.1 . 1 . . . . . . . . 4785 1 20 . 1 1 7 7 ALA H H 1 8.61 0.05 . 1 . . . . . . . . 4785 1 21 . 1 1 7 7 ALA C C 13 175.794 0.2 . 1 . . . . . . . . 4785 1 22 . 1 1 7 7 ALA CA C 13 50.284 0.2 . 1 . . . . . . . . 4785 1 23 . 1 1 7 7 ALA N N 15 123.053 0.1 . 1 . . . . . . . . 4785 1 24 . 1 1 8 8 VAL H H 1 9.52 0.05 . 1 . . . . . . . . 4785 1 25 . 1 1 8 8 VAL CA C 13 58.976 0.2 . 1 . . . . . . . . 4785 1 26 . 1 1 8 8 VAL N N 15 121.867 0.1 . 1 . . . . . . . . 4785 1 27 . 1 1 9 9 PRO C C 13 174.484 0.2 . 1 . . . . . . . . 4785 1 28 . 1 1 9 9 PRO CA C 13 60.758 0.2 . 1 . . . . . . . . 4785 1 29 . 1 1 10 10 VAL H H 1 8.793 0.05 . 1 . . . . . . . . 4785 1 30 . 1 1 10 10 VAL C C 13 176.213 0.2 . 1 . . . . . . . . 4785 1 31 . 1 1 10 10 VAL CA C 13 59.698 0.2 . 1 . . . . . . . . 4785 1 32 . 1 1 10 10 VAL N N 15 121.896 0.1 . 1 . . . . . . . . 4785 1 33 . 1 1 11 11 LEU H H 1 8.909 0.05 . 1 . . . . . . . . 4785 1 34 . 1 1 11 11 LEU C C 13 176.851 0.2 . 1 . . . . . . . . 4785 1 35 . 1 1 11 11 LEU CA C 13 53.45 0.2 . 1 . . . . . . . . 4785 1 36 . 1 1 11 11 LEU N N 15 126.32 0.1 . 1 . . . . . . . . 4785 1 37 . 1 1 12 12 THR H H 1 9.129 0.05 . 1 . . . . . . . . 4785 1 38 . 1 1 12 12 THR C C 13 175.396 0.2 . 1 . . . . . . . . 4785 1 39 . 1 1 12 12 THR CA C 13 58.8 0.2 . 1 . . . . . . . . 4785 1 40 . 1 1 12 12 THR N N 15 109.03 0.1 . 1 . . . . . . . . 4785 1 41 . 1 1 13 13 ALA H H 1 7.884 0.05 . 1 . . . . . . . . 4785 1 42 . 1 1 13 13 ALA C C 13 176.678 0.2 . 1 . . . . . . . . 4785 1 43 . 1 1 13 13 ALA CA C 13 51.381 0.2 . 1 . . . . . . . . 4785 1 44 . 1 1 13 13 ALA N N 15 116.056 0.1 . 1 . . . . . . . . 4785 1 45 . 1 1 14 14 ARG H H 1 8.103 0.05 . 1 . . . . . . . . 4785 1 46 . 1 1 14 14 ARG C C 13 177.284 0.2 . 1 . . . . . . . . 4785 1 47 . 1 1 14 14 ARG CA C 13 57.19 0.2 . 1 . . . . . . . . 4785 1 48 . 1 1 14 14 ARG N N 15 119.988 0.1 . 1 . . . . . . . . 4785 1 49 . 1 1 15 15 ASP H H 1 7.987 0.05 . 1 . . . . . . . . 4785 1 50 . 1 1 15 15 ASP C C 13 176.392 0.2 . 1 . . . . . . . . 4785 1 51 . 1 1 15 15 ASP CA C 13 50.941 0.2 . 1 . . . . . . . . 4785 1 52 . 1 1 15 15 ASP N N 15 118.6 0.1 . 1 . . . . . . . . 4785 1 53 . 1 1 16 16 VAL H H 1 8.83 0.05 . 1 . . . . . . . . 4785 1 54 . 1 1 16 16 VAL C C 13 177.102 0.2 . 1 . . . . . . . . 4785 1 55 . 1 1 16 16 VAL CA C 13 66.325 0.2 . 1 . . . . . . . . 4785 1 56 . 1 1 16 16 VAL N N 15 127.187 0.1 . 1 . . . . . . . . 4785 1 57 . 1 1 17 17 ALA H H 1 8.174 0.05 . 1 . . . . . . . . 4785 1 58 . 1 1 17 17 ALA C C 13 181.329 0.2 . 1 . . . . . . . . 4785 1 59 . 1 1 17 17 ALA CA C 13 55.087 0.2 . 1 . . . . . . . . 4785 1 60 . 1 1 17 17 ALA N N 15 122.829 0.1 . 1 . . . . . . . . 4785 1 61 . 1 1 18 18 GLY H H 1 8.354 0.05 . 1 . . . . . . . . 4785 1 62 . 1 1 18 18 GLY C C 13 176.899 0.2 . 1 . . . . . . . . 4785 1 63 . 1 1 18 18 GLY CA C 13 46.248 0.2 . 1 . . . . . . . . 4785 1 64 . 1 1 18 18 GLY N N 15 106.34 0.1 . 1 . . . . . . . . 4785 1 65 . 1 1 19 19 ALA H H 1 7.578 0.05 . 1 . . . . . . . . 4785 1 66 . 1 1 19 19 ALA C C 13 179.547 0.2 . 1 . . . . . . . . 4785 1 67 . 1 1 19 19 ALA CA C 13 54.829 0.2 . 1 . . . . . . . . 4785 1 68 . 1 1 19 19 ALA N N 15 126.089 0.1 . 1 . . . . . . . . 4785 1 69 . 1 1 20 20 VAL H H 1 8.793 0.05 . 1 . . . . . . . . 4785 1 70 . 1 1 20 20 VAL C C 13 179.441 0.2 . 1 . . . . . . . . 4785 1 71 . 1 1 20 20 VAL CA C 13 66.461 0.2 . 1 . . . . . . . . 4785 1 72 . 1 1 20 20 VAL N N 15 119.12 0.1 . 1 . . . . . . . . 4785 1 73 . 1 1 21 21 GLU H H 1 8.176 0.05 . 1 . . . . . . . . 4785 1 74 . 1 1 21 21 GLU C C 13 177.066 0.2 . 1 . . . . . . . . 4785 1 75 . 1 1 21 21 GLU CA C 13 59.1 0.2 . 1 . . . . . . . . 4785 1 76 . 1 1 21 21 GLU N N 15 121.289 0.1 . 1 . . . . . . . . 4785 1 77 . 1 1 22 22 PHE H H 1 7.444 0.05 . 1 . . . . . . . . 4785 1 78 . 1 1 22 22 PHE CA C 13 60.829 0.2 . 1 . . . . . . . . 4785 1 79 . 1 1 22 22 PHE N N 15 118.079 0.1 . 1 . . . . . . . . 4785 1 80 . 1 1 23 23 TRP H H 1 8.246 0.05 . 1 . . . . . . . . 4785 1 81 . 1 1 23 23 TRP C C 13 176.351 0.2 . 1 . . . . . . . . 4785 1 82 . 1 1 23 23 TRP CA C 13 61.367 0.2 . 1 . . . . . . . . 4785 1 83 . 1 1 23 23 TRP N N 15 118.907 0.1 . 1 . . . . . . . . 4785 1 84 . 1 1 24 24 THR H H 1 7.99 0.05 . 1 . . . . . . . . 4785 1 85 . 1 1 24 24 THR C C 13 175.938 0.2 . 1 . . . . . . . . 4785 1 86 . 1 1 24 24 THR CA C 13 60.14 0.2 . 1 . . . . . . . . 4785 1 87 . 1 1 24 24 THR N N 15 106.464 0.1 . 1 . . . . . . . . 4785 1 88 . 1 1 25 25 ASP H H 1 8.494 0.05 . 1 . . . . . . . . 4785 1 89 . 1 1 25 25 ASP C C 13 177.755 0.2 . 1 . . . . . . . . 4785 1 90 . 1 1 25 25 ASP CA C 13 56.402 0.2 . 1 . . . . . . . . 4785 1 91 . 1 1 25 25 ASP N N 15 124.065 0.1 . 1 . . . . . . . . 4785 1 92 . 1 1 26 26 ARG H H 1 7.297 0.05 . 1 . . . . . . . . 4785 1 93 . 1 1 26 26 ARG C C 13 177.43 0.2 . 1 . . . . . . . . 4785 1 94 . 1 1 26 26 ARG CA C 13 56.242 0.2 . 1 . . . . . . . . 4785 1 95 . 1 1 26 26 ARG N N 15 114.003 0.1 . 1 . . . . . . . . 4785 1 96 . 1 1 27 27 LEU H H 1 6.583 0.05 . 1 . . . . . . . . 4785 1 97 . 1 1 27 27 LEU C C 13 178.841 0.2 . 1 . . . . . . . . 4785 1 98 . 1 1 27 27 LEU CA C 13 54.423 0.2 . 1 . . . . . . . . 4785 1 99 . 1 1 27 27 LEU N N 15 112.557 0.1 . 1 . . . . . . . . 4785 1 100 . 1 1 28 28 GLY H H 1 7.508 0.05 . 1 . . . . . . . . 4785 1 101 . 1 1 28 28 GLY C C 13 176.873 0.2 . 1 . . . . . . . . 4785 1 102 . 1 1 28 28 GLY CA C 13 46.247 0.2 . 1 . . . . . . . . 4785 1 103 . 1 1 28 28 GLY N N 15 105.536 0.1 . 1 . . . . . . . . 4785 1 104 . 1 1 29 29 PHE H H 1 8.958 0.05 . 1 . . . . . . . . 4785 1 105 . 1 1 29 29 PHE C C 13 175.259 0.2 . 1 . . . . . . . . 4785 1 106 . 1 1 29 29 PHE CA C 13 57.398 0.2 . 1 . . . . . . . . 4785 1 107 . 1 1 29 29 PHE N N 15 121.173 0.1 . 1 . . . . . . . . 4785 1 108 . 1 1 30 30 SER H H 1 9.88 0.05 . 1 . . . . . . . . 4785 1 109 . 1 1 30 30 SER C C 13 175.102 0.2 . 1 . . . . . . . . 4785 1 110 . 1 1 30 30 SER CA C 13 56.691 0.2 . 1 . . . . . . . . 4785 1 111 . 1 1 30 30 SER N N 15 115.304 0.1 . 1 . . . . . . . . 4785 1 112 . 1 1 31 31 ARG H H 1 8.885 0.05 . 1 . . . . . . . . 4785 1 113 . 1 1 31 31 ARG C C 13 175.279 0.2 . 1 . . . . . . . . 4785 1 114 . 1 1 31 31 ARG CA C 13 56.466 0.2 . 1 . . . . . . . . 4785 1 115 . 1 1 31 31 ARG N N 15 122.937 0.1 . 1 . . . . . . . . 4785 1 116 . 1 1 32 32 ASP H H 1 8.641 0.05 . 1 . . . . . . . . 4785 1 117 . 1 1 32 32 ASP C C 13 175.837 0.2 . 1 . . . . . . . . 4785 1 118 . 1 1 32 32 ASP CA C 13 55.017 0.2 . 1 . . . . . . . . 4785 1 119 . 1 1 32 32 ASP N N 15 128.141 0.1 . 1 . . . . . . . . 4785 1 120 . 1 1 33 33 PHE H H 1 7.182 0.05 . 1 . . . . . . . . 4785 1 121 . 1 1 33 33 PHE C C 13 173.249 0.2 . 1 . . . . . . . . 4785 1 122 . 1 1 33 33 PHE CA C 13 55.575 0.2 . 1 . . . . . . . . 4785 1 123 . 1 1 33 33 PHE N N 15 111.892 0.1 . 1 . . . . . . . . 4785 1 124 . 1 1 34 34 VAL H H 1 8.641 0.05 . 1 . . . . . . . . 4785 1 125 . 1 1 34 34 VAL C C 13 174.316 0.2 . 1 . . . . . . . . 4785 1 126 . 1 1 34 34 VAL CA C 13 62.556 0.2 . 1 . . . . . . . . 4785 1 127 . 1 1 34 34 VAL N N 15 120.017 0.1 . 1 . . . . . . . . 4785 1 128 . 1 1 35 35 GLU H H 1 8.775 0.05 . 1 . . . . . . . . 4785 1 129 . 1 1 35 35 GLU C C 13 176.426 0.2 . 1 . . . . . . . . 4785 1 130 . 1 1 35 35 GLU CA C 13 53.455 0.2 . 1 . . . . . . . . 4785 1 131 . 1 1 35 35 GLU N N 15 127.882 0.1 . 1 . . . . . . . . 4785 1 132 . 1 1 36 36 ASP H H 1 8.616 0.05 . 1 . . . . . . . . 4785 1 133 . 1 1 36 36 ASP C C 13 177.206 0.2 . 1 . . . . . . . . 4785 1 134 . 1 1 36 36 ASP CA C 13 56.998 0.2 . 1 . . . . . . . . 4785 1 135 . 1 1 36 36 ASP N N 15 118.86 0.1 . 1 . . . . . . . . 4785 1 136 . 1 1 37 37 ASP H H 1 8.292 0.05 . 1 . . . . . . . . 4785 1 137 . 1 1 37 37 ASP C C 13 175.574 0.2 . 1 . . . . . . . . 4785 1 138 . 1 1 37 37 ASP CA C 13 52.339 0.2 . 1 . . . . . . . . 4785 1 139 . 1 1 37 37 ASP N N 15 112.962 0.1 . 1 . . . . . . . . 4785 1 140 . 1 1 38 38 PHE H H 1 7.255 0.05 . 1 . . . . . . . . 4785 1 141 . 1 1 38 38 PHE C C 13 172.422 0.2 . 1 . . . . . . . . 4785 1 142 . 1 1 38 38 PHE CA C 13 55.343 0.2 . 1 . . . . . . . . 4785 1 143 . 1 1 38 38 PHE N N 15 122.185 0.1 . 1 . . . . . . . . 4785 1 144 . 1 1 39 39 ALA H H 1 8.518 0.05 . 1 . . . . . . . . 4785 1 145 . 1 1 39 39 ALA C C 13 173.763 0.2 . 1 . . . . . . . . 4785 1 146 . 1 1 39 39 ALA CA C 13 49.713 0.2 . 1 . . . . . . . . 4785 1 147 . 1 1 39 39 ALA N N 15 127.072 0.1 . 1 . . . . . . . . 4785 1 148 . 1 1 40 40 GLY H H 1 7.407 0.05 . 1 . . . . . . . . 4785 1 149 . 1 1 40 40 GLY C C 13 172.538 0.2 . 1 . . . . . . . . 4785 1 150 . 1 1 40 40 GLY CA C 13 44.587 0.2 . 1 . . . . . . . . 4785 1 151 . 1 1 40 40 GLY N N 15 104.201 0.1 . 1 . . . . . . . . 4785 1 152 . 1 1 41 41 VAL H H 1 9.092 0.05 . 1 . . . . . . . . 4785 1 153 . 1 1 41 41 VAL C C 13 174.0 0.2 . 1 . . . . . . . . 4785 1 154 . 1 1 41 41 VAL CA C 13 57.688 0.2 . 1 . . . . . . . . 4785 1 155 . 1 1 41 41 VAL N N 15 117.067 0.1 . 1 . . . . . . . . 4785 1 156 . 1 1 42 42 VAL H H 1 9.043 0.05 . 1 . . . . . . . . 4785 1 157 . 1 1 42 42 VAL C C 13 175.215 0.2 . 1 . . . . . . . . 4785 1 158 . 1 1 42 42 VAL CA C 13 59.051 0.2 . 1 . . . . . . . . 4785 1 159 . 1 1 42 42 VAL N N 15 119.612 0.1 . 1 . . . . . . . . 4785 1 160 . 1 1 43 43 ARG H H 1 8.762 0.05 . 1 . . . . . . . . 4785 1 161 . 1 1 43 43 ARG C C 13 174.003 0.2 . 1 . . . . . . . . 4785 1 162 . 1 1 43 43 ARG CA C 13 56.366 0.2 . 1 . . . . . . . . 4785 1 163 . 1 1 43 43 ARG N N 15 127.158 0.1 . 1 . . . . . . . . 4785 1 164 . 1 1 44 44 ASP H H 1 9.002 0.05 . 1 . . . . . . . . 4785 1 165 . 1 1 44 44 ASP C C 13 175.687 0.2 . 1 . . . . . . . . 4785 1 166 . 1 1 44 44 ASP CA C 13 55.315 0.2 . 1 . . . . . . . . 4785 1 167 . 1 1 44 44 ASP N N 15 124.969 0.1 . 1 . . . . . . . . 4785 1 168 . 1 1 45 45 ASP H H 1 7.56 0.05 . 1 . . . . . . . . 4785 1 169 . 1 1 45 45 ASP C C 13 175.398 0.2 . 1 . . . . . . . . 4785 1 170 . 1 1 45 45 ASP CA C 13 54.205 0.2 . 1 . . . . . . . . 4785 1 171 . 1 1 45 45 ASP N N 15 121.636 0.1 . 1 . . . . . . . . 4785 1 172 . 1 1 46 46 VAL H H 1 8.274 0.05 . 1 . . . . . . . . 4785 1 173 . 1 1 46 46 VAL C C 13 173.175 0.2 . 1 . . . . . . . . 4785 1 174 . 1 1 46 46 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 4785 1 175 . 1 1 46 46 VAL N N 15 122.272 0.1 . 1 . . . . . . . . 4785 1 176 . 1 1 47 47 THR H H 1 7.835 0.05 . 1 . . . . . . . . 4785 1 177 . 1 1 47 47 THR C C 13 172.953 0.2 . 1 . . . . . . . . 4785 1 178 . 1 1 47 47 THR CA C 13 60.559 0.2 . 1 . . . . . . . . 4785 1 179 . 1 1 47 47 THR N N 15 124.759 0.1 . 1 . . . . . . . . 4785 1 180 . 1 1 48 48 LEU H H 1 8.818 0.05 . 1 . . . . . . . . 4785 1 181 . 1 1 48 48 LEU C C 13 175.85 0.2 . 1 . . . . . . . . 4785 1 182 . 1 1 48 48 LEU CA C 13 52.774 0.2 . 1 . . . . . . . . 4785 1 183 . 1 1 48 48 LEU N N 15 123.226 0.1 . 1 . . . . . . . . 4785 1 184 . 1 1 49 49 PHE H H 1 8.238 0.05 . 1 . . . . . . . . 4785 1 185 . 1 1 49 49 PHE C C 13 175.172 0.2 . 1 . . . . . . . . 4785 1 186 . 1 1 49 49 PHE CA C 13 50.863 0.2 . 1 . . . . . . . . 4785 1 187 . 1 1 49 49 PHE N N 15 121.029 0.1 . 1 . . . . . . . . 4785 1 188 . 1 1 50 50 ILE H H 1 8.573 0.05 . 1 . . . . . . . . 4785 1 189 . 1 1 50 50 ILE C C 13 174.689 0.2 . 1 . . . . . . . . 4785 1 190 . 1 1 50 50 ILE CA C 13 59.403 0.2 . 1 . . . . . . . . 4785 1 191 . 1 1 50 50 ILE N N 15 118.862 0.1 . 1 . . . . . . . . 4785 1 192 . 1 1 51 51 SER H H 1 8.793 0.05 . 1 . . . . . . . . 4785 1 193 . 1 1 51 51 SER C C 13 173.967 0.2 . 1 . . . . . . . . 4785 1 194 . 1 1 51 51 SER CA C 13 55.516 0.2 . 1 . . . . . . . . 4785 1 195 . 1 1 51 51 SER N N 15 119.431 0.1 . 1 . . . . . . . . 4785 1 196 . 1 1 52 52 ALA H H 1 7.694 0.05 . 1 . . . . . . . . 4785 1 197 . 1 1 52 52 ALA C C 13 178.704 0.2 . 1 . . . . . . . . 4785 1 198 . 1 1 52 52 ALA CA C 13 51.301 0.2 . 1 . . . . . . . . 4785 1 199 . 1 1 52 52 ALA N N 15 128.17 0.1 . 1 . . . . . . . . 4785 1 200 . 1 1 53 53 VAL H H 1 7.877 0.05 . 1 . . . . . . . . 4785 1 201 . 1 1 53 53 VAL CA C 13 58.362 0.2 . 1 . . . . . . . . 4785 1 202 . 1 1 53 53 VAL N N 15 114.002 0.1 . 1 . . . . . . . . 4785 1 203 . 1 1 54 54 GLN H H 1 8.317 0.05 . 1 . . . . . . . . 4785 1 204 . 1 1 54 54 GLN C C 13 175.775 0.2 . 1 . . . . . . . . 4785 1 205 . 1 1 54 54 GLN CA C 13 55.561 0.2 . 1 . . . . . . . . 4785 1 206 . 1 1 54 54 GLN N N 15 117.01 0.1 . 1 . . . . . . . . 4785 1 207 . 1 1 55 55 ASP H H 1 7.224 0.05 . 1 . . . . . . . . 4785 1 208 . 1 1 55 55 ASP CA C 13 52.728 0.2 . 1 . . . . . . . . 4785 1 209 . 1 1 55 55 ASP N N 15 118.86 0.1 . 1 . . . . . . . . 4785 1 210 . 1 1 56 56 GLN C C 13 174.263 0.2 . 1 . . . . . . . . 4785 1 211 . 1 1 57 57 VAL H H 1 8.281 0.05 . 1 . . . . . . . . 4785 1 212 . 1 1 57 57 VAL C C 13 176.389 0.2 . 1 . . . . . . . . 4785 1 213 . 1 1 57 57 VAL CA C 13 63.67 0.2 . 1 . . . . . . . . 4785 1 214 . 1 1 57 57 VAL N N 15 116.605 0.1 . 1 . . . . . . . . 4785 1 215 . 1 1 58 58 VAL H H 1 7.597 0.05 . 1 . . . . . . . . 4785 1 216 . 1 1 58 58 VAL CA C 13 67.47 0.2 . 1 . . . . . . . . 4785 1 217 . 1 1 58 58 VAL N N 15 116.894 0.1 . 1 . . . . . . . . 4785 1 218 . 1 1 60 60 ASP H H 1 6.968 0.05 . 1 . . . . . . . . 4785 1 219 . 1 1 60 60 ASP CA C 13 55.65 0.2 . 1 . . . . . . . . 4785 1 220 . 1 1 60 60 ASP N N 15 111.169 0.1 . 1 . . . . . . . . 4785 1 221 . 1 1 61 61 ASN H H 1 7.853 0.05 . 1 . . . . . . . . 4785 1 222 . 1 1 61 61 ASN C C 13 173.328 0.2 . 1 . . . . . . . . 4785 1 223 . 1 1 61 61 ASN CA C 13 52.745 0.2 . 1 . . . . . . . . 4785 1 224 . 1 1 61 61 ASN N N 15 117.299 0.1 . 1 . . . . . . . . 4785 1 225 . 1 1 62 62 THR H H 1 7.725 0.05 . 1 . . . . . . . . 4785 1 226 . 1 1 62 62 THR CA C 13 63.576 0.2 . 1 . . . . . . . . 4785 1 227 . 1 1 62 62 THR N N 15 118.542 0.1 . 1 . . . . . . . . 4785 1 228 . 1 1 63 63 LEU CA C 13 52.37 0.2 . 1 . . . . . . . . 4785 1 229 . 1 1 64 64 ALA H H 1 7.694 0.05 . 1 . . . . . . . . 4785 1 230 . 1 1 64 64 ALA C C 13 174.326 0.2 . 1 . . . . . . . . 4785 1 231 . 1 1 64 64 ALA CA C 13 51.695 0.2 . 1 . . . . . . . . 4785 1 232 . 1 1 64 64 ALA N N 15 114.118 0.1 . 1 . . . . . . . . 4785 1 233 . 1 1 65 65 TRP H H 1 8.265 0.05 . 1 . . . . . . . . 4785 1 234 . 1 1 65 65 TRP C C 13 174.811 0.2 . 1 . . . . . . . . 4785 1 235 . 1 1 65 65 TRP CA C 13 56.479 0.2 . 1 . . . . . . . . 4785 1 236 . 1 1 65 65 TRP N N 15 124.829 0.1 . 1 . . . . . . . . 4785 1 237 . 1 1 66 66 VAL H H 1 9.05 0.05 . 1 . . . . . . . . 4785 1 238 . 1 1 66 66 VAL C C 13 174.092 0.2 . 1 . . . . . . . . 4785 1 239 . 1 1 66 66 VAL CA C 13 60.289 0.2 . 1 . . . . . . . . 4785 1 240 . 1 1 66 66 VAL N N 15 122.619 0.1 . 1 . . . . . . . . 4785 1 241 . 1 1 67 67 TRP H H 1 9.281 0.05 . 1 . . . . . . . . 4785 1 242 . 1 1 67 67 TRP CA C 13 57.74 0.2 . 1 . . . . . . . . 4785 1 243 . 1 1 67 67 TRP N N 15 129.674 0.1 . 1 . . . . . . . . 4785 1 244 . 1 1 68 68 VAL H H 1 9.178 0.05 . 1 . . . . . . . . 4785 1 245 . 1 1 68 68 VAL C C 13 176.162 0.2 . 1 . . . . . . . . 4785 1 246 . 1 1 68 68 VAL CA C 13 59.669 0.2 . 1 . . . . . . . . 4785 1 247 . 1 1 68 68 VAL N N 15 117.617 0.1 . 1 . . . . . . . . 4785 1 248 . 1 1 69 69 ARG H H 1 9.465 0.05 . 1 . . . . . . . . 4785 1 249 . 1 1 69 69 ARG C C 13 175.808 0.2 . 1 . . . . . . . . 4785 1 250 . 1 1 69 69 ARG CA C 13 54.809 0.2 . 1 . . . . . . . . 4785 1 251 . 1 1 69 69 ARG N N 15 128.728 0.1 . 1 . . . . . . . . 4785 1 252 . 1 1 70 70 GLY H H 1 8.964 0.05 . 1 . . . . . . . . 4785 1 253 . 1 1 70 70 GLY C C 13 175.177 0.2 . 1 . . . . . . . . 4785 1 254 . 1 1 70 70 GLY CA C 13 46.277 0.2 . 1 . . . . . . . . 4785 1 255 . 1 1 70 70 GLY N N 15 116.546 0.1 . 1 . . . . . . . . 4785 1 256 . 1 1 71 71 LEU H H 1 8.445 0.05 . 1 . . . . . . . . 4785 1 257 . 1 1 71 71 LEU C C 13 178.406 0.2 . 1 . . . . . . . . 4785 1 258 . 1 1 71 71 LEU CA C 13 57.999 0.2 . 1 . . . . . . . . 4785 1 259 . 1 1 71 71 LEU N N 15 122.995 0.1 . 1 . . . . . . . . 4785 1 260 . 1 1 72 72 ASP H H 1 8.372 0.05 . 1 . . . . . . . . 4785 1 261 . 1 1 72 72 ASP C C 13 178.953 0.2 . 1 . . . . . . . . 4785 1 262 . 1 1 72 72 ASP CA C 13 56.964 0.2 . 1 . . . . . . . . 4785 1 263 . 1 1 72 72 ASP N N 15 114.349 0.1 . 1 . . . . . . . . 4785 1 264 . 1 1 73 73 GLU H H 1 7.859 0.05 . 1 . . . . . . . . 4785 1 265 . 1 1 73 73 GLU C C 13 179.28 0.2 . 1 . . . . . . . . 4785 1 266 . 1 1 73 73 GLU CA C 13 58.639 0.2 . 1 . . . . . . . . 4785 1 267 . 1 1 73 73 GLU N N 15 120.682 0.1 . 1 . . . . . . . . 4785 1 268 . 1 1 74 74 LEU H H 1 7.664 0.05 . 1 . . . . . . . . 4785 1 269 . 1 1 74 74 LEU C C 13 177.216 0.2 . 1 . . . . . . . . 4785 1 270 . 1 1 74 74 LEU CA C 13 56.242 0.2 . 1 . . . . . . . . 4785 1 271 . 1 1 74 74 LEU N N 15 124.18 0.1 . 1 . . . . . . . . 4785 1 272 . 1 1 75 75 TYR H H 1 8.377 0.05 . 1 . . . . . . . . 4785 1 273 . 1 1 75 75 TYR C C 13 178.536 0.2 . 1 . . . . . . . . 4785 1 274 . 1 1 75 75 TYR CA C 13 61.023 0.2 . 1 . . . . . . . . 4785 1 275 . 1 1 75 75 TYR N N 15 118.232 0.1 . 1 . . . . . . . . 4785 1 276 . 1 1 76 76 ALA H H 1 7.951 0.05 . 1 . . . . . . . . 4785 1 277 . 1 1 76 76 ALA C C 13 179.941 0.2 . 1 . . . . . . . . 4785 1 278 . 1 1 76 76 ALA CA C 13 54.291 0.2 . 1 . . . . . . . . 4785 1 279 . 1 1 76 76 ALA N N 15 120.942 0.1 . 1 . . . . . . . . 4785 1 280 . 1 1 77 77 GLU H H 1 7.42 0.05 . 1 . . . . . . . . 4785 1 281 . 1 1 77 77 GLU C C 13 179.625 0.2 . 1 . . . . . . . . 4785 1 282 . 1 1 77 77 GLU CA C 13 58.213 0.2 . 1 . . . . . . . . 4785 1 283 . 1 1 77 77 GLU N N 15 119.38 0.1 . 1 . . . . . . . . 4785 1 284 . 1 1 78 78 TRP H H 1 8.091 0.05 . 1 . . . . . . . . 4785 1 285 . 1 1 78 78 TRP C C 13 178.474 0.2 . 1 . . . . . . . . 4785 1 286 . 1 1 78 78 TRP CA C 13 55.859 0.2 . 1 . . . . . . . . 4785 1 287 . 1 1 78 78 TRP N N 15 119.091 0.1 . 1 . . . . . . . . 4785 1 288 . 1 1 79 79 SER H H 1 8.531 0.05 . 1 . . . . . . . . 4785 1 289 . 1 1 79 79 SER C C 13 175.105 0.2 . 1 . . . . . . . . 4785 1 290 . 1 1 79 79 SER CA C 13 60.573 0.2 . 1 . . . . . . . . 4785 1 291 . 1 1 79 79 SER N N 15 116.865 0.1 . 1 . . . . . . . . 4785 1 292 . 1 1 80 80 GLU H H 1 6.931 0.05 . 1 . . . . . . . . 4785 1 293 . 1 1 80 80 GLU C C 13 177.697 0.2 . 1 . . . . . . . . 4785 1 294 . 1 1 80 80 GLU CA C 13 56.852 0.2 . 1 . . . . . . . . 4785 1 295 . 1 1 80 80 GLU N N 15 117.356 0.1 . 1 . . . . . . . . 4785 1 296 . 1 1 81 81 VAL H H 1 7.462 0.05 . 1 . . . . . . . . 4785 1 297 . 1 1 81 81 VAL C C 13 175.09 0.2 . 1 . . . . . . . . 4785 1 298 . 1 1 81 81 VAL CA C 13 60.791 0.2 . 1 . . . . . . . . 4785 1 299 . 1 1 81 81 VAL N N 15 109.897 0.1 . 1 . . . . . . . . 4785 1 300 . 1 1 82 82 VAL H H 1 7.969 0.05 . 1 . . . . . . . . 4785 1 301 . 1 1 82 82 VAL C C 13 174.202 0.2 . 1 . . . . . . . . 4785 1 302 . 1 1 82 82 VAL CA C 13 60.327 0.2 . 1 . . . . . . . . 4785 1 303 . 1 1 82 82 VAL N N 15 122.417 0.1 . 1 . . . . . . . . 4785 1 304 . 1 1 83 83 SER H H 1 8.085 0.05 . 1 . . . . . . . . 4785 1 305 . 1 1 83 83 SER C C 13 175.188 0.2 . 1 . . . . . . . . 4785 1 306 . 1 1 83 83 SER CA C 13 57.575 0.2 . 1 . . . . . . . . 4785 1 307 . 1 1 83 83 SER N N 15 117.559 0.1 . 1 . . . . . . . . 4785 1 308 . 1 1 84 84 THR H H 1 8.048 0.05 . 1 . . . . . . . . 4785 1 309 . 1 1 84 84 THR C C 13 175.258 0.2 . 1 . . . . . . . . 4785 1 310 . 1 1 84 84 THR CA C 13 60.119 0.2 . 1 . . . . . . . . 4785 1 311 . 1 1 84 84 THR N N 15 113.106 0.1 . 1 . . . . . . . . 4785 1 312 . 1 1 85 85 ASN H H 1 8.335 0.05 . 1 . . . . . . . . 4785 1 313 . 1 1 85 85 ASN C C 13 175.008 0.2 . 1 . . . . . . . . 4785 1 314 . 1 1 85 85 ASN CA C 13 50.964 0.2 . 1 . . . . . . . . 4785 1 315 . 1 1 85 85 ASN N N 15 121.463 0.1 . 1 . . . . . . . . 4785 1 316 . 1 1 86 86 PHE H H 1 8.036 0.05 . 1 . . . . . . . . 4785 1 317 . 1 1 86 86 PHE C C 13 176.936 0.2 . 1 . . . . . . . . 4785 1 318 . 1 1 86 86 PHE CA C 13 60.139 0.2 . 1 . . . . . . . . 4785 1 319 . 1 1 86 86 PHE N N 15 122.619 0.1 . 1 . . . . . . . . 4785 1 320 . 1 1 87 87 ARG H H 1 8.249 0.05 . 1 . . . . . . . . 4785 1 321 . 1 1 87 87 ARG CA C 13 56.571 0.2 . 1 . . . . . . . . 4785 1 322 . 1 1 87 87 ARG N N 15 115.546 0.1 . 1 . . . . . . . . 4785 1 323 . 1 1 88 88 ASP H H 1 7.45 0.05 . 1 . . . . . . . . 4785 1 324 . 1 1 88 88 ASP C C 13 175.706 0.2 . 1 . . . . . . . . 4785 1 325 . 1 1 88 88 ASP CA C 13 53.316 0.2 . 1 . . . . . . . . 4785 1 326 . 1 1 88 88 ASP N N 15 118.628 0.1 . 1 . . . . . . . . 4785 1 327 . 1 1 89 89 ALA H H 1 7.786 0.05 . 1 . . . . . . . . 4785 1 328 . 1 1 89 89 ALA C C 13 177.437 0.2 . 1 . . . . . . . . 4785 1 329 . 1 1 89 89 ALA CA C 13 51.667 0.2 . 1 . . . . . . . . 4785 1 330 . 1 1 89 89 ALA N N 15 124.238 0.1 . 1 . . . . . . . . 4785 1 331 . 1 1 90 90 SER H H 1 8.17 0.05 . 1 . . . . . . . . 4785 1 332 . 1 1 90 90 SER C C 13 174.374 0.2 . 1 . . . . . . . . 4785 1 333 . 1 1 90 90 SER CA C 13 57.663 0.2 . 1 . . . . . . . . 4785 1 334 . 1 1 90 90 SER N N 15 114.234 0.1 . 1 . . . . . . . . 4785 1 335 . 1 1 91 91 GLY H H 1 7.664 0.05 . 1 . . . . . . . . 4785 1 336 . 1 1 91 91 GLY CA C 13 43.493 0.2 . 1 . . . . . . . . 4785 1 337 . 1 1 91 91 GLY N N 15 110.62 0.1 . 1 . . . . . . . . 4785 1 338 . 1 1 92 92 PRO C C 13 176.818 0.2 . 1 . . . . . . . . 4785 1 339 . 1 1 92 92 PRO CA C 13 61.855 0.2 . 1 . . . . . . . . 4785 1 340 . 1 1 93 93 ALA H H 1 8.559 0.05 . 1 . . . . . . . . 4785 1 341 . 1 1 93 93 ALA C C 13 174.7 0.2 . 1 . . . . . . . . 4785 1 342 . 1 1 93 93 ALA CA C 13 51.364 0.2 . 1 . . . . . . . . 4785 1 343 . 1 1 93 93 ALA N N 15 122.731 0.1 . 1 . . . . . . . . 4785 1 344 . 1 1 94 94 MET H H 1 8.817 0.05 . 1 . . . . . . . . 4785 1 345 . 1 1 94 94 MET C C 13 175.478 0.2 . 1 . . . . . . . . 4785 1 346 . 1 1 94 94 MET CA C 13 53.517 0.2 . 1 . . . . . . . . 4785 1 347 . 1 1 94 94 MET N N 15 117.125 0.1 . 1 . . . . . . . . 4785 1 348 . 1 1 95 95 THR H H 1 8.634 0.05 . 1 . . . . . . . . 4785 1 349 . 1 1 95 95 THR C C 13 175.479 0.2 . 1 . . . . . . . . 4785 1 350 . 1 1 95 95 THR CA C 13 60.257 0.2 . 1 . . . . . . . . 4785 1 351 . 1 1 95 95 THR N N 15 110.07 0.1 . 1 . . . . . . . . 4785 1 352 . 1 1 96 96 GLU H H 1 8.085 0.05 . 1 . . . . . . . . 4785 1 353 . 1 1 96 96 GLU C C 13 178.287 0.2 . 1 . . . . . . . . 4785 1 354 . 1 1 96 96 GLU CA C 13 55.775 0.2 . 1 . . . . . . . . 4785 1 355 . 1 1 96 96 GLU N N 15 115.304 0.1 . 1 . . . . . . . . 4785 1 356 . 1 1 97 97 ILE H H 1 8.189 0.05 . 1 . . . . . . . . 4785 1 357 . 1 1 97 97 ILE C C 13 177.224 0.2 . 1 . . . . . . . . 4785 1 358 . 1 1 97 97 ILE CA C 13 61.382 0.2 . 1 . . . . . . . . 4785 1 359 . 1 1 97 97 ILE N N 15 123.428 0.1 . 1 . . . . . . . . 4785 1 360 . 1 1 98 98 GLY H H 1 9.233 0.05 . 1 . . . . . . . . 4785 1 361 . 1 1 98 98 GLY C C 13 172.022 0.2 . 1 . . . . . . . . 4785 1 362 . 1 1 98 98 GLY CA C 13 43.72 0.2 . 1 . . . . . . . . 4785 1 363 . 1 1 98 98 GLY N N 15 116.779 0.1 . 1 . . . . . . . . 4785 1 364 . 1 1 99 99 GLU H H 1 8.278 0.05 . 1 . . . . . . . . 4785 1 365 . 1 1 99 99 GLU C C 13 175.706 0.2 . 1 . . . . . . . . 4785 1 366 . 1 1 99 99 GLU CA C 13 56.008 0.2 . 1 . . . . . . . . 4785 1 367 . 1 1 99 99 GLU N N 15 119.218 0.1 . 1 . . . . . . . . 4785 1 368 . 1 1 100 100 GLN H H 1 7.853 0.05 . 1 . . . . . . . . 4785 1 369 . 1 1 100 100 GLN CA C 13 52.082 0.2 . 1 . . . . . . . . 4785 1 370 . 1 1 100 100 GLN N N 15 124.209 0.1 . 1 . . . . . . . . 4785 1 371 . 1 1 101 101 PRO C C 13 176.74 0.2 . 1 . . . . . . . . 4785 1 372 . 1 1 101 101 PRO CA C 13 64.993 0.2 . 1 . . . . . . . . 4785 1 373 . 1 1 102 102 TRP H H 1 6.016 0.05 . 1 . . . . . . . . 4785 1 374 . 1 1 102 102 TRP C C 13 175.076 0.2 . 1 . . . . . . . . 4785 1 375 . 1 1 102 102 TRP CA C 13 55.394 0.2 . 1 . . . . . . . . 4785 1 376 . 1 1 102 102 TRP N N 15 107.641 0.1 . 1 . . . . . . . . 4785 1 377 . 1 1 103 103 GLY H H 1 7.415 0.05 . 1 . . . . . . . . 4785 1 378 . 1 1 103 103 GLY C C 13 172.263 0.2 . 1 . . . . . . . . 4785 1 379 . 1 1 103 103 GLY CA C 13 43.479 0.2 . 1 . . . . . . . . 4785 1 380 . 1 1 103 103 GLY N N 15 110.598 0.1 . 1 . . . . . . . . 4785 1 381 . 1 1 104 104 ARG H H 1 8.576 0.05 . 1 . . . . . . . . 4785 1 382 . 1 1 104 104 ARG C C 13 175.553 0.2 . 1 . . . . . . . . 4785 1 383 . 1 1 104 104 ARG CA C 13 55.777 0.2 . 1 . . . . . . . . 4785 1 384 . 1 1 104 104 ARG N N 15 122.369 0.1 . 1 . . . . . . . . 4785 1 385 . 1 1 105 105 GLU H H 1 8.909 0.05 . 1 . . . . . . . . 4785 1 386 . 1 1 105 105 GLU C C 13 175.456 0.2 . 1 . . . . . . . . 4785 1 387 . 1 1 105 105 GLU CA C 13 54.586 0.2 . 1 . . . . . . . . 4785 1 388 . 1 1 105 105 GLU N N 15 121.202 0.1 . 1 . . . . . . . . 4785 1 389 . 1 1 106 106 PHE H H 1 8.727 0.05 . 1 . . . . . . . . 4785 1 390 . 1 1 106 106 PHE C C 13 171.485 0.2 . 1 . . . . . . . . 4785 1 391 . 1 1 106 106 PHE CA C 13 56.167 0.2 . 1 . . . . . . . . 4785 1 392 . 1 1 106 106 PHE N N 15 114.585 0.1 . 1 . . . . . . . . 4785 1 393 . 1 1 107 107 ALA H H 1 8.571 0.05 . 1 . . . . . . . . 4785 1 394 . 1 1 107 107 ALA C C 13 175.048 0.2 . 1 . . . . . . . . 4785 1 395 . 1 1 107 107 ALA CA C 13 49.094 0.2 . 1 . . . . . . . . 4785 1 396 . 1 1 107 107 ALA N N 15 122.042 0.1 . 1 . . . . . . . . 4785 1 397 . 1 1 108 108 LEU H H 1 9.159 0.05 . 1 . . . . . . . . 4785 1 398 . 1 1 108 108 LEU CA C 13 53.649 0.2 . 1 . . . . . . . . 4785 1 399 . 1 1 108 108 LEU N N 15 124.18 0.1 . 1 . . . . . . . . 4785 1 400 . 1 1 109 109 ARG H H 1 9.507 0.05 . 1 . . . . . . . . 4785 1 401 . 1 1 109 109 ARG C C 13 175.193 0.2 . 1 . . . . . . . . 4785 1 402 . 1 1 109 109 ARG CA C 13 52.752 0.2 . 1 . . . . . . . . 4785 1 403 . 1 1 109 109 ARG N N 15 128.695 0.1 . 1 . . . . . . . . 4785 1 404 . 1 1 110 110 ASP H H 1 8.421 0.05 . 1 . . . . . . . . 4785 1 405 . 1 1 110 110 ASP CA C 13 51.175 0.2 . 1 . . . . . . . . 4785 1 406 . 1 1 110 110 ASP N N 15 127.303 0.1 . 1 . . . . . . . . 4785 1 407 . 1 1 111 111 PRO C C 13 176.855 0.2 . 1 . . . . . . . . 4785 1 408 . 1 1 111 111 PRO CA C 13 64.266 0.2 . 1 . . . . . . . . 4785 1 409 . 1 1 112 112 ALA H H 1 7.835 0.05 . 1 . . . . . . . . 4785 1 410 . 1 1 112 112 ALA C C 13 177.198 0.2 . 1 . . . . . . . . 4785 1 411 . 1 1 112 112 ALA CA C 13 51.721 0.2 . 1 . . . . . . . . 4785 1 412 . 1 1 112 112 ALA N N 15 118.108 0.1 . 1 . . . . . . . . 4785 1 413 . 1 1 113 113 GLY H H 1 7.704 0.05 . 1 . . . . . . . . 4785 1 414 . 1 1 113 113 GLY C C 13 173.423 0.2 . 1 . . . . . . . . 4785 1 415 . 1 1 113 113 GLY CA C 13 43.736 0.2 . 1 . . . . . . . . 4785 1 416 . 1 1 113 113 GLY N N 15 105.51 0.1 . 1 . . . . . . . . 4785 1 417 . 1 1 114 114 ASN H H 1 7.92 0.05 . 1 . . . . . . . . 4785 1 418 . 1 1 114 114 ASN CA C 13 54.147 0.2 . 1 . . . . . . . . 4785 1 419 . 1 1 114 114 ASN N N 15 119.728 0.1 . 1 . . . . . . . . 4785 1 420 . 1 1 115 115 CYS H H 1 8.012 0.05 . 1 . . . . . . . . 4785 1 421 . 1 1 115 115 CYS C C 13 172.927 0.2 . 1 . . . . . . . . 4785 1 422 . 1 1 115 115 CYS CA C 13 56.527 0.2 . 1 . . . . . . . . 4785 1 423 . 1 1 115 115 CYS N N 15 118.976 0.1 . 1 . . . . . . . . 4785 1 424 . 1 1 116 116 VAL H H 1 9.397 0.05 . 1 . . . . . . . . 4785 1 425 . 1 1 116 116 VAL C C 13 175.378 0.2 . 1 . . . . . . . . 4785 1 426 . 1 1 116 116 VAL CA C 13 59.227 0.2 . 1 . . . . . . . . 4785 1 427 . 1 1 116 116 VAL N N 15 127.043 0.1 . 1 . . . . . . . . 4785 1 428 . 1 1 117 117 HIS H H 1 8.476 0.05 . 1 . . . . . . . . 4785 1 429 . 1 1 117 117 HIS C C 13 171.971 0.2 . 1 . . . . . . . . 4785 1 430 . 1 1 117 117 HIS CA C 13 53.7 0.2 . 1 . . . . . . . . 4785 1 431 . 1 1 117 117 HIS N N 15 125.337 0.1 . 1 . . . . . . . . 4785 1 432 . 1 1 118 118 PHE H H 1 8.927 0.05 . 1 . . . . . . . . 4785 1 433 . 1 1 118 118 PHE C C 13 173.39 0.2 . 1 . . . . . . . . 4785 1 434 . 1 1 118 118 PHE CA C 13 56.11 0.2 . 1 . . . . . . . . 4785 1 435 . 1 1 118 118 PHE N N 15 123.891 0.1 . 1 . . . . . . . . 4785 1 436 . 1 1 119 119 VAL H H 1 8.921 0.05 . 1 . . . . . . . . 4785 1 437 . 1 1 119 119 VAL C C 13 175.371 0.2 . 1 . . . . . . . . 4785 1 438 . 1 1 119 119 VAL CA C 13 58.74 0.2 . 1 . . . . . . . . 4785 1 439 . 1 1 119 119 VAL N N 15 122.214 0.1 . 1 . . . . . . . . 4785 1 440 . 1 1 120 120 ALA H H 1 9.056 0.05 . 1 . . . . . . . . 4785 1 441 . 1 1 120 120 ALA C C 13 178.794 0.2 . 1 . . . . . . . . 4785 1 442 . 1 1 120 120 ALA CA C 13 51.85 0.2 . 1 . . . . . . . . 4785 1 443 . 1 1 120 120 ALA N N 15 128.112 0.1 . 1 . . . . . . . . 4785 1 444 . 1 1 121 121 GLU H H 1 9.007 0.05 . 1 . . . . . . . . 4785 1 445 . 1 1 121 121 GLU C C 13 177.107 0.2 . 1 . . . . . . . . 4785 1 446 . 1 1 121 121 GLU CA C 13 56.07 0.2 . 1 . . . . . . . . 4785 1 447 . 1 1 121 121 GLU N N 15 124.441 0.1 . 1 . . . . . . . . 4785 1 448 . 1 1 122 122 GLU H H 1 8.891 0.05 . 1 . . . . . . . . 4785 1 449 . 1 1 122 122 GLU C C 13 176.317 0.2 . 1 . . . . . . . . 4785 1 450 . 1 1 122 122 GLU CA C 13 55.81 0.2 . 1 . . . . . . . . 4785 1 451 . 1 1 122 122 GLU N N 15 124.701 0.1 . 1 . . . . . . . . 4785 1 452 . 1 1 123 123 GLN H H 1 8.457 0.05 . 1 . . . . . . . . 4785 1 453 . 1 1 123 123 GLN C C 13 174.827 0.2 . 1 . . . . . . . . 4785 1 454 . 1 1 123 123 GLN CA C 13 55.0 0.2 . 1 . . . . . . . . 4785 1 455 . 1 1 123 123 GLN N N 15 121.52 0.1 . 1 . . . . . . . . 4785 1 456 . 1 1 124 124 ASP H H 1 8.054 0.05 . 1 . . . . . . . . 4785 1 457 . 1 1 124 124 ASP CA C 13 55.1 0.2 . 1 . . . . . . . . 4785 1 458 . 1 1 124 124 ASP N N 15 127.708 0.1 . 1 . . . . . . . . 4785 1 stop_ save_