################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18082 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 18082 1 2 '3D CBCA(CO)NH' . . . 18082 1 3 '3D HNCACB' . . . 18082 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 ALA HA H 1 4.186 0.050 . 1 . . . A 1 ALA HA . 18082 1 2 . 1 1 1 1 ALA HB1 H 1 1.345 0.014 . 1 . . . A 1 ALA HB1 . 18082 1 3 . 1 1 1 1 ALA HB2 H 1 1.345 0.014 . 1 . . . A 1 ALA HB2 . 18082 1 4 . 1 1 1 1 ALA HB3 H 1 1.345 0.014 . 1 . . . A 1 ALA HB3 . 18082 1 5 . 1 1 1 1 ALA H H 1 8.303 0.097 . 1 . . . A 1 ALA H1 . 18082 1 6 . 1 1 1 1 ALA CA C 13 53.208 0.168 . 1 . . . A 1 ALA CA . 18082 1 7 . 1 1 1 1 ALA CB C 13 19.032 0.038 . 1 . . . A 1 ALA CB . 18082 1 8 . 1 1 1 1 ALA N N 15 123.752 0.183 . 1 . . . A 1 ALA N . 18082 1 9 . 1 1 2 2 ASP H H 1 8.039 0.050 . 1 . . . A 2 ASP H . 18082 1 10 . 1 1 2 2 ASP HA H 1 4.521 0.050 . 1 . . . A 2 ASP HA . 18082 1 11 . 1 1 2 2 ASP HB2 H 1 2.655 0.050 . 1 . . . A 2 ASP HB2 . 18082 1 12 . 1 1 2 2 ASP HB3 H 1 2.655 0.050 . 1 . . . A 2 ASP HB3 . 18082 1 13 . 1 1 2 2 ASP CA C 13 55.014 0.032 . 1 . . . A 2 ASP CA . 18082 1 14 . 1 1 2 2 ASP CB C 13 40.955 0.010 . 1 . . . A 2 ASP CB . 18082 1 15 . 1 1 2 2 ASP N N 15 117.390 0.014 . 1 . . . A 2 ASP N . 18082 1 16 . 1 1 3 3 GLN H H 1 7.949 0.050 . 1 . . . A 3 GLN H . 18082 1 17 . 1 1 3 3 GLN HA H 1 4.357 0.050 . 1 . . . A 3 GLN HA . 18082 1 18 . 1 1 3 3 GLN HB2 H 1 2.059 0.050 . 1 . . . A 3 GLN HB2 . 18082 1 19 . 1 1 3 3 GLN HB3 H 1 2.059 0.050 . 1 . . . A 3 GLN HB3 . 18082 1 20 . 1 1 3 3 GLN CA C 13 55.636 0.065 . 1 . . . A 3 GLN CA . 18082 1 21 . 1 1 3 3 GLN CB C 13 29.695 0.014 . 1 . . . A 3 GLN CB . 18082 1 22 . 1 1 3 3 GLN N N 15 118.072 0.022 . 1 . . . A 3 GLN N . 18082 1 23 . 1 1 4 4 LEU H H 1 7.841 0.050 . 1 . . . A 4 LEU H . 18082 1 24 . 1 1 4 4 LEU HA H 1 4.692 0.008 . 1 . . . A 4 LEU HA . 18082 1 25 . 1 1 4 4 LEU HB2 H 1 1.755 0.008 . 2 . . . A 4 LEU HB2 . 18082 1 26 . 1 1 4 4 LEU HB3 H 1 1.509 0.007 . 2 . . . A 4 LEU HB3 . 18082 1 27 . 1 1 4 4 LEU CA C 13 54.358 0.065 . 1 . . . A 4 LEU CA . 18082 1 28 . 1 1 4 4 LEU CB C 13 43.712 0.014 . 1 . . . A 4 LEU CB . 18082 1 29 . 1 1 4 4 LEU N N 15 121.793 0.015 . 1 . . . A 4 LEU N . 18082 1 30 . 1 1 5 5 THR H H 1 8.625 0.050 . 1 . . . A 5 THR H . 18082 1 31 . 1 1 5 5 THR HA H 1 4.772 0.050 . 1 . . . A 5 THR HA . 18082 1 32 . 1 1 5 5 THR HB H 1 4.467 0.050 . 1 . . . A 5 THR HB . 18082 1 33 . 1 1 5 5 THR CA C 13 60.388 0.100 . 1 . . . A 5 THR CA . 18082 1 34 . 1 1 5 5 THR CB C 13 71.243 0.049 . 1 . . . A 5 THR CB . 18082 1 35 . 1 1 5 5 THR N N 15 112.587 0.017 . 1 . . . A 5 THR N . 18082 1 36 . 1 1 6 6 GLU H H 1 8.995 0.001 . 1 . . . A 6 GLU H . 18082 1 37 . 1 1 6 6 GLU HA H 1 3.976 0.050 . 1 . . . A 6 GLU HA . 18082 1 38 . 1 1 6 6 GLU HB2 H 1 2.058 0.050 . 1 . . . A 6 GLU HB2 . 18082 1 39 . 1 1 6 6 GLU HB3 H 1 2.058 0.050 . 1 . . . A 6 GLU HB3 . 18082 1 40 . 1 1 6 6 GLU CA C 13 60.180 0.001 . 1 . . . A 6 GLU CA . 18082 1 41 . 1 1 6 6 GLU CB C 13 29.285 0.015 . 1 . . . A 6 GLU CB . 18082 1 42 . 1 1 6 6 GLU N N 15 120.574 0.018 . 1 . . . A 6 GLU N . 18082 1 43 . 1 1 7 7 GLU H H 1 8.678 0.001 . 1 . . . A 7 GLU H . 18082 1 44 . 1 1 7 7 GLU HA H 1 4.063 0.050 . 1 . . . A 7 GLU HA . 18082 1 45 . 1 1 7 7 GLU HB2 H 1 2.015 0.050 . 1 . . . A 7 GLU HB2 . 18082 1 46 . 1 1 7 7 GLU HB3 H 1 2.015 0.050 . 1 . . . A 7 GLU HB3 . 18082 1 47 . 1 1 7 7 GLU CA C 13 60.062 0.055 . 1 . . . A 7 GLU CA . 18082 1 48 . 1 1 7 7 GLU CB C 13 29.198 0.100 . 1 . . . A 7 GLU CB . 18082 1 49 . 1 1 7 7 GLU N N 15 119.338 0.013 . 1 . . . A 7 GLU N . 18082 1 50 . 1 1 8 8 GLN H H 1 7.684 0.001 . 1 . . . A 8 GLN H . 18082 1 51 . 1 1 8 8 GLN HA H 1 3.874 0.050 . 1 . . . A 8 GLN HA . 18082 1 52 . 1 1 8 8 GLN HB2 H 1 2.373 0.050 . 2 . . . A 8 GLN HB2 . 18082 1 53 . 1 1 8 8 GLN HB3 H 1 1.603 0.050 . 2 . . . A 8 GLN HB3 . 18082 1 54 . 1 1 8 8 GLN CA C 13 58.626 0.045 . 1 . . . A 8 GLN CA . 18082 1 55 . 1 1 8 8 GLN CB C 13 29.201 0.007 . 1 . . . A 8 GLN CB . 18082 1 56 . 1 1 8 8 GLN N N 15 120.308 0.012 . 1 . . . A 8 GLN N . 18082 1 57 . 1 1 9 9 ILE H H 1 8.339 0.050 . 1 . . . A 9 ILE H . 18082 1 58 . 1 1 9 9 ILE HA H 1 3.675 0.003 . 1 . . . A 9 ILE HA . 18082 1 59 . 1 1 9 9 ILE HB H 1 1.973 0.050 . 1 . . . A 9 ILE HB . 18082 1 60 . 1 1 9 9 ILE CA C 13 66.241 0.018 . 1 . . . A 9 ILE CA . 18082 1 61 . 1 1 9 9 ILE CB C 13 37.702 0.018 . 1 . . . A 9 ILE CB . 18082 1 62 . 1 1 9 9 ILE N N 15 119.371 0.015 . 1 . . . A 9 ILE N . 18082 1 63 . 1 1 10 10 ALA H H 1 8.048 0.002 . 1 . . . A 10 ALA H . 18082 1 64 . 1 1 10 10 ALA HA H 1 4.118 0.050 . 1 . . . A 10 ALA HA . 18082 1 65 . 1 1 10 10 ALA HB1 H 1 1.521 0.013 . 1 . . . A 10 ALA HB1 . 18082 1 66 . 1 1 10 10 ALA HB2 H 1 1.521 0.013 . 1 . . . A 10 ALA HB2 . 18082 1 67 . 1 1 10 10 ALA HB3 H 1 1.521 0.013 . 1 . . . A 10 ALA HB3 . 18082 1 68 . 1 1 10 10 ALA CA C 13 55.648 0.040 . 1 . . . A 10 ALA CA . 18082 1 69 . 1 1 10 10 ALA CB C 13 17.908 0.019 . 1 . . . A 10 ALA CB . 18082 1 70 . 1 1 10 10 ALA N N 15 121.339 0.037 . 1 . . . A 10 ALA N . 18082 1 71 . 1 1 11 11 GLU H H 1 7.792 0.004 . 1 . . . A 11 GLU H . 18082 1 72 . 1 1 11 11 GLU HA H 1 4.187 0.050 . 1 . . . A 11 GLU HA . 18082 1 73 . 1 1 11 11 GLU HB2 H 1 2.024 0.050 . 1 . . . A 11 GLU HB2 . 18082 1 74 . 1 1 11 11 GLU HB3 H 1 2.024 0.050 . 1 . . . A 11 GLU HB3 . 18082 1 75 . 1 1 11 11 GLU CA C 13 59.577 0.002 . 1 . . . A 11 GLU CA . 18082 1 76 . 1 1 11 11 GLU CB C 13 29.306 0.009 . 1 . . . A 11 GLU CB . 18082 1 77 . 1 1 11 11 GLU CG C 13 36.554 0.100 . 1 . . . A 11 GLU CG . 18082 1 78 . 1 1 11 11 GLU N N 15 119.886 0.042 . 1 . . . A 11 GLU N . 18082 1 79 . 1 1 12 12 PHE H H 1 8.527 0.002 . 1 . . . A 12 PHE H . 18082 1 80 . 1 1 12 12 PHE HA H 1 5.011 0.004 . 1 . . . A 12 PHE HA . 18082 1 81 . 1 1 12 12 PHE HB2 H 1 3.478 0.050 . 1 . . . A 12 PHE HB2 . 18082 1 82 . 1 1 12 12 PHE HB3 H 1 3.478 0.050 . 1 . . . A 12 PHE HB3 . 18082 1 83 . 1 1 12 12 PHE CA C 13 59.173 0.041 . 1 . . . A 12 PHE CA . 18082 1 84 . 1 1 12 12 PHE CB C 13 37.617 0.001 . 1 . . . A 12 PHE CB . 18082 1 85 . 1 1 12 12 PHE N N 15 119.957 0.028 . 1 . . . A 12 PHE N . 18082 1 86 . 1 1 13 13 LYS H H 1 9.246 0.050 . 1 . . . A 13 LYS H . 18082 1 87 . 1 1 13 13 LYS HA H 1 4.015 0.050 . 1 . . . A 13 LYS HA . 18082 1 88 . 1 1 13 13 LYS HB2 H 1 1.930 0.050 . 1 . . . A 13 LYS HB2 . 18082 1 89 . 1 1 13 13 LYS HB3 H 1 1.930 0.050 . 1 . . . A 13 LYS HB3 . 18082 1 90 . 1 1 13 13 LYS CA C 13 60.169 0.047 . 1 . . . A 13 LYS CA . 18082 1 91 . 1 1 13 13 LYS CB C 13 31.986 0.007 . 1 . . . A 13 LYS CB . 18082 1 92 . 1 1 13 13 LYS N N 15 123.937 0.028 . 1 . . . A 13 LYS N . 18082 1 93 . 1 1 14 14 GLU H H 1 7.956 0.003 . 1 . . . A 14 GLU H . 18082 1 94 . 1 1 14 14 GLU HA H 1 4.130 0.050 . 1 . . . A 14 GLU HA . 18082 1 95 . 1 1 14 14 GLU HB2 H 1 2.241 0.015 . 1 . . . A 14 GLU HB2 . 18082 1 96 . 1 1 14 14 GLU HB3 H 1 2.241 0.015 . 1 . . . A 14 GLU HB3 . 18082 1 97 . 1 1 14 14 GLU CA C 13 59.653 0.028 . 1 . . . A 14 GLU CA . 18082 1 98 . 1 1 14 14 GLU CB C 13 29.125 0.133 . 1 . . . A 14 GLU CB . 18082 1 99 . 1 1 14 14 GLU CG C 13 36.345 0.072 . 1 . . . A 14 GLU CG . 18082 1 100 . 1 1 14 14 GLU N N 15 120.885 0.026 . 1 . . . A 14 GLU N . 18082 1 101 . 1 1 15 15 ALA H H 1 8.129 0.002 . 1 . . . A 15 ALA H . 18082 1 102 . 1 1 15 15 ALA HA H 1 4.257 0.050 . 1 . . . A 15 ALA HA . 18082 1 103 . 1 1 15 15 ALA HB1 H 1 2.045 0.004 . 1 . . . A 15 ALA HB1 . 18082 1 104 . 1 1 15 15 ALA HB2 H 1 2.045 0.004 . 1 . . . A 15 ALA HB2 . 18082 1 105 . 1 1 15 15 ALA HB3 H 1 2.045 0.004 . 1 . . . A 15 ALA HB3 . 18082 1 106 . 1 1 15 15 ALA CA C 13 55.565 0.015 . 1 . . . A 15 ALA CA . 18082 1 107 . 1 1 15 15 ALA CB C 13 18.237 0.039 . 1 . . . A 15 ALA CB . 18082 1 108 . 1 1 15 15 ALA N N 15 121.878 0.023 . 1 . . . A 15 ALA N . 18082 1 109 . 1 1 16 16 PHE H H 1 8.800 0.001 . 1 . . . A 16 PHE H . 18082 1 110 . 1 1 16 16 PHE HA H 1 3.326 0.050 . 1 . . . A 16 PHE HA . 18082 1 111 . 1 1 16 16 PHE HB2 H 1 3.006 0.050 . 1 . . . A 16 PHE HB2 . 18082 1 112 . 1 1 16 16 PHE HB3 H 1 3.006 0.050 . 1 . . . A 16 PHE HB3 . 18082 1 113 . 1 1 16 16 PHE CA C 13 62.270 0.047 . 1 . . . A 16 PHE CA . 18082 1 114 . 1 1 16 16 PHE CB C 13 39.695 0.056 . 1 . . . A 16 PHE CB . 18082 1 115 . 1 1 16 16 PHE N N 15 118.993 0.023 . 1 . . . A 16 PHE N . 18082 1 116 . 1 1 17 17 SER H H 1 8.062 0.001 . 1 . . . A 17 SER H . 18082 1 117 . 1 1 17 17 SER HA H 1 4.166 0.050 . 1 . . . A 17 SER HA . 18082 1 118 . 1 1 17 17 SER HB2 H 1 4.038 0.050 . 1 . . . A 17 SER HB2 . 18082 1 119 . 1 1 17 17 SER HB3 H 1 4.038 0.050 . 1 . . . A 17 SER HB3 . 18082 1 120 . 1 1 17 17 SER CA C 13 61.564 0.043 . 1 . . . A 17 SER CA . 18082 1 121 . 1 1 17 17 SER CB C 13 63.457 0.012 . 1 . . . A 17 SER CB . 18082 1 122 . 1 1 17 17 SER N N 15 113.609 0.027 . 1 . . . A 17 SER N . 18082 1 123 . 1 1 18 18 LEU H H 1 7.452 0.001 . 1 . . . A 18 LEU H . 18082 1 124 . 1 1 18 18 LEU HA H 1 4.005 0.004 . 1 . . . A 18 LEU HA . 18082 1 125 . 1 1 18 18 LEU HB2 H 1 1.824 0.001 . 2 . . . A 18 LEU HB2 . 18082 1 126 . 1 1 18 18 LEU HB3 H 1 1.416 0.050 . 2 . . . A 18 LEU HB3 . 18082 1 127 . 1 1 18 18 LEU CA C 13 57.028 0.097 . 1 . . . A 18 LEU CA . 18082 1 128 . 1 1 18 18 LEU CB C 13 41.523 0.051 . 1 . . . A 18 LEU CB . 18082 1 129 . 1 1 18 18 LEU N N 15 120.325 0.014 . 1 . . . A 18 LEU N . 18082 1 130 . 1 1 19 19 PHE H H 1 7.187 0.001 . 1 . . . A 19 PHE H . 18082 1 131 . 1 1 19 19 PHE HA H 1 4.245 0.050 . 1 . . . A 19 PHE HA . 18082 1 132 . 1 1 19 19 PHE HB2 H 1 2.760 0.050 . 1 . . . A 19 PHE HB2 . 18082 1 133 . 1 1 19 19 PHE HB3 H 1 2.760 0.050 . 1 . . . A 19 PHE HB3 . 18082 1 134 . 1 1 19 19 PHE CA C 13 59.530 0.020 . 1 . . . A 19 PHE CA . 18082 1 135 . 1 1 19 19 PHE CB C 13 41.928 0.015 . 1 . . . A 19 PHE CB . 18082 1 136 . 1 1 19 19 PHE N N 15 113.738 0.039 . 1 . . . A 19 PHE N . 18082 1 137 . 1 1 20 20 ASP H H 1 7.733 0.001 . 1 . . . A 20 ASP H . 18082 1 138 . 1 1 20 20 ASP HA H 1 4.565 0.050 . 1 . . . A 20 ASP HA . 18082 1 139 . 1 1 20 20 ASP HB2 H 1 2.329 0.005 . 2 . . . A 20 ASP HB2 . 18082 1 140 . 1 1 20 20 ASP HB3 H 1 1.501 0.005 . 2 . . . A 20 ASP HB3 . 18082 1 141 . 1 1 20 20 ASP CA C 13 52.488 0.038 . 1 . . . A 20 ASP CA . 18082 1 142 . 1 1 20 20 ASP CB C 13 39.280 0.011 . 1 . . . A 20 ASP CB . 18082 1 143 . 1 1 20 20 ASP N N 15 116.566 0.017 . 1 . . . A 20 ASP N . 18082 1 144 . 1 1 21 21 LYS H H 1 7.668 0.050 . 1 . . . A 21 LYS H . 18082 1 145 . 1 1 21 21 LYS HA H 1 3.987 0.050 . 1 . . . A 21 LYS HA . 18082 1 146 . 1 1 21 21 LYS HB2 H 1 1.917 0.050 . 1 . . . A 21 LYS HB2 . 18082 1 147 . 1 1 21 21 LYS HB3 H 1 1.917 0.050 . 1 . . . A 21 LYS HB3 . 18082 1 148 . 1 1 21 21 LYS CA C 13 58.353 0.004 . 1 . . . A 21 LYS CA . 18082 1 149 . 1 1 21 21 LYS CB C 13 32.514 0.007 . 1 . . . A 21 LYS CB . 18082 1 150 . 1 1 21 21 LYS N N 15 124.387 0.024 . 1 . . . A 21 LYS N . 18082 1 151 . 1 1 22 22 ASP H H 1 8.135 0.050 . 1 . . . A 22 ASP H . 18082 1 152 . 1 1 22 22 ASP HA H 1 4.594 0.050 . 1 . . . A 22 ASP HA . 18082 1 153 . 1 1 22 22 ASP HB2 H 1 3.074 0.050 . 2 . . . A 22 ASP HB2 . 18082 1 154 . 1 1 22 22 ASP HB3 H 1 2.613 0.050 . 2 . . . A 22 ASP HB3 . 18082 1 155 . 1 1 22 22 ASP CA C 13 52.934 0.016 . 1 . . . A 22 ASP CA . 18082 1 156 . 1 1 22 22 ASP CB C 13 39.645 0.014 . 1 . . . A 22 ASP CB . 18082 1 157 . 1 1 22 22 ASP N N 15 114.142 0.025 . 1 . . . A 22 ASP N . 18082 1 158 . 1 1 23 23 GLY H H 1 7.683 0.001 . 1 . . . A 23 GLY H . 18082 1 159 . 1 1 23 23 GLY HA2 H 1 3.891 0.050 . 1 . . . A 23 GLY HA2 . 18082 1 160 . 1 1 23 23 GLY HA3 H 1 3.891 0.050 . 1 . . . A 23 GLY HA3 . 18082 1 161 . 1 1 23 23 GLY CA C 13 47.308 0.006 . 1 . . . A 23 GLY CA . 18082 1 162 . 1 1 23 23 GLY N N 15 109.286 0.026 . 1 . . . A 23 GLY N . 18082 1 163 . 1 1 24 24 ASP H H 1 8.477 0.050 . 1 . . . A 24 ASP H . 18082 1 164 . 1 1 24 24 ASP HA H 1 4.525 0.050 . 1 . . . A 24 ASP HA . 18082 1 165 . 1 1 24 24 ASP HB2 H 1 3.047 0.050 . 2 . . . A 24 ASP HB2 . 18082 1 166 . 1 1 24 24 ASP HB3 H 1 2.478 0.050 . 2 . . . A 24 ASP HB3 . 18082 1 167 . 1 1 24 24 ASP CA C 13 53.891 0.049 . 1 . . . A 24 ASP CA . 18082 1 168 . 1 1 24 24 ASP CB C 13 40.513 0.100 . 1 . . . A 24 ASP CB . 18082 1 169 . 1 1 24 24 ASP N N 15 120.949 0.025 . 1 . . . A 24 ASP N . 18082 1 170 . 1 1 25 25 GLY H H 1 10.567 0.050 . 1 . . . A 25 GLY H . 18082 1 171 . 1 1 25 25 GLY HA2 H 1 4.412 0.050 . 2 . . . A 25 GLY HA2 . 18082 1 172 . 1 1 25 25 GLY HA3 H 1 3.738 0.050 . 2 . . . A 25 GLY HA3 . 18082 1 173 . 1 1 25 25 GLY CA C 13 45.496 0.001 . 1 . . . A 25 GLY CA . 18082 1 174 . 1 1 25 25 GLY N N 15 112.905 0.015 . 1 . . . A 25 GLY N . 18082 1 175 . 1 1 26 26 THR H H 1 8.238 0.050 . 1 . . . A 26 THR H . 18082 1 176 . 1 1 26 26 THR HA H 1 5.421 0.001 . 1 . . . A 26 THR HA . 18082 1 177 . 1 1 26 26 THR HB H 1 3.878 0.050 . 1 . . . A 26 THR HB . 18082 1 178 . 1 1 26 26 THR CA C 13 59.692 0.009 . 1 . . . A 26 THR CA . 18082 1 179 . 1 1 26 26 THR CB C 13 72.792 0.028 . 1 . . . A 26 THR CB . 18082 1 180 . 1 1 26 26 THR N N 15 112.165 0.023 . 1 . . . A 26 THR N . 18082 1 181 . 1 1 27 27 ILE H H 1 9.970 0.001 . 1 . . . A 27 ILE H . 18082 1 182 . 1 1 27 27 ILE HA H 1 4.846 0.003 . 1 . . . A 27 ILE HA . 18082 1 183 . 1 1 27 27 ILE HB H 1 1.856 0.004 . 1 . . . A 27 ILE HB . 18082 1 184 . 1 1 27 27 ILE CA C 13 61.302 0.026 . 1 . . . A 27 ILE CA . 18082 1 185 . 1 1 27 27 ILE CB C 13 40.312 0.043 . 1 . . . A 27 ILE CB . 18082 1 186 . 1 1 27 27 ILE N N 15 126.801 0.032 . 1 . . . A 27 ILE N . 18082 1 187 . 1 1 28 28 THR H H 1 8.356 0.050 . 1 . . . A 28 THR H . 18082 1 188 . 1 1 28 28 THR HA H 1 4.921 0.034 . 1 . . . A 28 THR HA . 18082 1 189 . 1 1 28 28 THR HB H 1 4.818 0.002 . 1 . . . A 28 THR HB . 18082 1 190 . 1 1 28 28 THR CA C 13 59.359 0.034 . 1 . . . A 28 THR CA . 18082 1 191 . 1 1 28 28 THR CB C 13 72.614 0.036 . 1 . . . A 28 THR CB . 18082 1 192 . 1 1 28 28 THR N N 15 116.315 0.019 . 1 . . . A 28 THR N . 18082 1 193 . 1 1 29 29 THR H H 1 9.115 0.001 . 1 . . . A 29 THR H . 18082 1 194 . 1 1 29 29 THR HA H 1 3.748 0.002 . 1 . . . A 29 THR HA . 18082 1 195 . 1 1 29 29 THR HB H 1 4.184 0.050 . 1 . . . A 29 THR HB . 18082 1 196 . 1 1 29 29 THR CA C 13 66.445 0.021 . 1 . . . A 29 THR CA . 18082 1 197 . 1 1 29 29 THR CB C 13 68.069 0.026 . 1 . . . A 29 THR CB . 18082 1 198 . 1 1 29 29 THR N N 15 113.124 0.017 . 1 . . . A 29 THR N . 18082 1 199 . 1 1 30 30 LYS H H 1 7.639 0.050 . 1 . . . A 30 LYS H . 18082 1 200 . 1 1 30 30 LYS HA H 1 4.106 0.050 . 1 . . . A 30 LYS HA . 18082 1 201 . 1 1 30 30 LYS HB2 H 1 1.834 0.050 . 1 . . . A 30 LYS HB2 . 18082 1 202 . 1 1 30 30 LYS HB3 H 1 1.834 0.050 . 1 . . . A 30 LYS HB3 . 18082 1 203 . 1 1 30 30 LYS CA C 13 59.216 0.022 . 1 . . . A 30 LYS CA . 18082 1 204 . 1 1 30 30 LYS CB C 13 32.546 0.001 . 1 . . . A 30 LYS CB . 18082 1 205 . 1 1 30 30 LYS N N 15 120.485 0.026 . 1 . . . A 30 LYS N . 18082 1 206 . 1 1 31 31 GLU H H 1 7.693 0.050 . 1 . . . A 31 GLU H . 18082 1 207 . 1 1 31 31 GLU HA H 1 4.003 0.050 . 1 . . . A 31 GLU HA . 18082 1 208 . 1 1 31 31 GLU HB2 H 1 2.766 0.050 . 2 . . . A 31 GLU HB2 . 18082 1 209 . 1 1 31 31 GLU HB3 H 1 2.402 0.050 . 2 . . . A 31 GLU HB3 . 18082 1 210 . 1 1 31 31 GLU CA C 13 59.642 0.036 . 1 . . . A 31 GLU CA . 18082 1 211 . 1 1 31 31 GLU CB C 13 29.605 0.033 . 1 . . . A 31 GLU CB . 18082 1 212 . 1 1 31 31 GLU N N 15 121.786 0.016 . 1 . . . A 31 GLU N . 18082 1 213 . 1 1 32 32 LEU H H 1 8.585 0.001 . 1 . . . A 32 LEU H . 18082 1 214 . 1 1 32 32 LEU HA H 1 4.093 0.003 . 1 . . . A 32 LEU HA . 18082 1 215 . 1 1 32 32 LEU HB2 H 1 1.812 0.001 . 2 . . . A 32 LEU HB2 . 18082 1 216 . 1 1 32 32 LEU HB3 H 1 1.239 0.008 . 2 . . . A 32 LEU HB3 . 18082 1 217 . 1 1 32 32 LEU CA C 13 58.340 0.057 . 1 . . . A 32 LEU CA . 18082 1 218 . 1 1 32 32 LEU CB C 13 42.173 0.017 . 1 . . . A 32 LEU CB . 18082 1 219 . 1 1 32 32 LEU N N 15 120.699 0.016 . 1 . . . A 32 LEU N . 18082 1 220 . 1 1 33 33 GLY H H 1 8.715 0.001 . 1 . . . A 33 GLY H . 18082 1 221 . 1 1 33 33 GLY HA2 H 1 3.936 0.050 . 2 . . . A 33 GLY HA2 . 18082 1 222 . 1 1 33 33 GLY HA3 H 1 3.498 0.050 . 2 . . . A 33 GLY HA3 . 18082 1 223 . 1 1 33 33 GLY CA C 13 48.681 0.045 . 1 . . . A 33 GLY CA . 18082 1 224 . 1 1 33 33 GLY N N 15 106.061 0.021 . 1 . . . A 33 GLY N . 18082 1 225 . 1 1 34 34 THR H H 1 7.947 0.050 . 1 . . . A 34 THR H . 18082 1 226 . 1 1 34 34 THR HA H 1 3.929 0.003 . 1 . . . A 34 THR HA . 18082 1 227 . 1 1 34 34 THR HB H 1 4.362 0.003 . 1 . . . A 34 THR HB . 18082 1 228 . 1 1 34 34 THR CA C 13 66.961 0.102 . 1 . . . A 34 THR CA . 18082 1 229 . 1 1 34 34 THR CB C 13 68.764 0.027 . 1 . . . A 34 THR CB . 18082 1 230 . 1 1 34 34 THR N N 15 118.195 0.011 . 1 . . . A 34 THR N . 18082 1 231 . 1 1 35 35 VAL H H 1 7.760 0.006 . 1 . . . A 35 VAL H . 18082 1 232 . 1 1 35 35 VAL HA H 1 3.609 0.006 . 1 . . . A 35 VAL HA . 18082 1 233 . 1 1 35 35 VAL HB H 1 2.056 0.050 . 1 . . . A 35 VAL HB . 18082 1 234 . 1 1 35 35 VAL CA C 13 66.554 0.033 . 1 . . . A 35 VAL CA . 18082 1 235 . 1 1 35 35 VAL CB C 13 31.479 0.016 . 1 . . . A 35 VAL CB . 18082 1 236 . 1 1 35 35 VAL N N 15 122.412 0.041 . 1 . . . A 35 VAL N . 18082 1 237 . 1 1 36 36 MET H H 1 8.583 0.001 . 1 . . . A 36 MET H . 18082 1 238 . 1 1 36 36 MET HA H 1 4.104 0.001 . 1 . . . A 36 MET HA . 18082 1 239 . 1 1 36 36 MET HB2 H 1 2.026 0.050 . 1 . . . A 36 MET HB2 . 18082 1 240 . 1 1 36 36 MET HB3 H 1 2.026 0.050 . 1 . . . A 36 MET HB3 . 18082 1 241 . 1 1 36 36 MET CA C 13 58.532 0.027 . 1 . . . A 36 MET CA . 18082 1 242 . 1 1 36 36 MET CB C 13 30.782 0.054 . 1 . . . A 36 MET CB . 18082 1 243 . 1 1 36 36 MET N N 15 118.407 0.024 . 1 . . . A 36 MET N . 18082 1 244 . 1 1 37 37 ARG H H 1 8.499 0.001 . 1 . . . A 37 ARG H . 18082 1 245 . 1 1 37 37 ARG HA H 1 4.789 0.050 . 1 . . . A 37 ARG HA . 18082 1 246 . 1 1 37 37 ARG HB2 H 1 1.947 0.050 . 1 . . . A 37 ARG HB2 . 18082 1 247 . 1 1 37 37 ARG HB3 H 1 1.947 0.050 . 1 . . . A 37 ARG HB3 . 18082 1 248 . 1 1 37 37 ARG CA C 13 59.141 0.100 . 1 . . . A 37 ARG CA . 18082 1 249 . 1 1 37 37 ARG CB C 13 30.019 0.098 . 1 . . . A 37 ARG CB . 18082 1 250 . 1 1 37 37 ARG N N 15 119.070 0.032 . 1 . . . A 37 ARG N . 18082 1 251 . 1 1 38 38 SER H H 1 7.965 0.001 . 1 . . . A 38 SER H . 18082 1 252 . 1 1 38 38 SER HA H 1 4.417 0.050 . 1 . . . A 38 SER HA . 18082 1 253 . 1 1 38 38 SER HB2 H 1 4.082 0.050 . 1 . . . A 38 SER HB2 . 18082 1 254 . 1 1 38 38 SER HB3 H 1 4.082 0.050 . 1 . . . A 38 SER HB3 . 18082 1 255 . 1 1 38 38 SER CA C 13 61.450 0.021 . 1 . . . A 38 SER CA . 18082 1 256 . 1 1 38 38 SER CB C 13 62.846 0.105 . 1 . . . A 38 SER CB . 18082 1 257 . 1 1 38 38 SER N N 15 118.897 0.018 . 1 . . . A 38 SER N . 18082 1 258 . 1 1 39 39 LEU H H 1 7.387 0.050 . 1 . . . A 39 LEU H . 18082 1 259 . 1 1 39 39 LEU HA H 1 4.489 0.005 . 1 . . . A 39 LEU HA . 18082 1 260 . 1 1 39 39 LEU HB2 H 1 1.876 0.014 . 1 . . . A 39 LEU HB2 . 18082 1 261 . 1 1 39 39 LEU HB3 H 1 1.876 0.014 . 1 . . . A 39 LEU HB3 . 18082 1 262 . 1 1 39 39 LEU CA C 13 54.576 0.030 . 1 . . . A 39 LEU CA . 18082 1 263 . 1 1 39 39 LEU CB C 13 41.963 0.024 . 1 . . . A 39 LEU CB . 18082 1 264 . 1 1 39 39 LEU N N 15 120.765 0.015 . 1 . . . A 39 LEU N . 18082 1 265 . 1 1 40 40 GLY H H 1 7.889 0.050 . 1 . . . A 40 GLY H . 18082 1 266 . 1 1 40 40 GLY HA2 H 1 4.253 0.050 . 2 . . . A 40 GLY HA2 . 18082 1 267 . 1 1 40 40 GLY HA3 H 1 3.796 0.050 . 2 . . . A 40 GLY HA3 . 18082 1 268 . 1 1 40 40 GLY CA C 13 45.637 0.020 . 1 . . . A 40 GLY CA . 18082 1 269 . 1 1 40 40 GLY N N 15 107.022 0.030 . 1 . . . A 40 GLY N . 18082 1 270 . 1 1 41 41 GLN H H 1 7.747 0.001 . 1 . . . A 41 GLN H . 18082 1 271 . 1 1 41 41 GLN HA H 1 4.495 0.050 . 1 . . . A 41 GLN HA . 18082 1 272 . 1 1 41 41 GLN HB2 H 1 2.126 0.050 . 2 . . . A 41 GLN HB2 . 18082 1 273 . 1 1 41 41 GLN HB3 H 1 1.604 0.050 . 2 . . . A 41 GLN HB3 . 18082 1 274 . 1 1 41 41 GLN CA C 13 54.440 0.066 . 1 . . . A 41 GLN CA . 18082 1 275 . 1 1 41 41 GLN CB C 13 30.703 0.023 . 1 . . . A 41 GLN CB . 18082 1 276 . 1 1 41 41 GLN N N 15 118.231 0.008 . 1 . . . A 41 GLN N . 18082 1 277 . 1 1 42 42 ASN H H 1 8.663 0.050 . 1 . . . A 42 ASN H . 18082 1 278 . 1 1 42 42 ASN CA C 13 51.308 0.100 . 1 . . . A 42 ASN CA . 18082 1 279 . 1 1 42 42 ASN CB C 13 39.272 0.100 . 1 . . . A 42 ASN CB . 18082 1 280 . 1 1 42 42 ASN N N 15 116.416 0.014 . 1 . . . A 42 ASN N . 18082 1 281 . 1 1 43 43 PRO HA H 1 4.742 0.050 . 1 . . . A 43 PRO HA . 18082 1 282 . 1 1 43 43 PRO HB2 H 1 2.119 0.050 . 2 . . . A 43 PRO HB2 . 18082 1 283 . 1 1 43 43 PRO HB3 H 1 1.933 0.050 . 2 . . . A 43 PRO HB3 . 18082 1 284 . 1 1 43 43 PRO CA C 13 62.393 0.100 . 1 . . . A 43 PRO CA . 18082 1 285 . 1 1 43 43 PRO CB C 13 31.969 0.100 . 1 . . . A 43 PRO CB . 18082 1 286 . 1 1 44 44 THR H H 1 8.790 0.002 . 1 . . . A 44 THR H . 18082 1 287 . 1 1 44 44 THR HA H 1 4.723 0.050 . 1 . . . A 44 THR HA . 18082 1 288 . 1 1 44 44 THR HB H 1 4.414 0.050 . 1 . . . A 44 THR HB . 18082 1 289 . 1 1 44 44 THR CA C 13 60.656 0.024 . 1 . . . A 44 THR CA . 18082 1 290 . 1 1 44 44 THR CB C 13 71.220 0.036 . 1 . . . A 44 THR CB . 18082 1 291 . 1 1 44 44 THR N N 15 112.768 0.034 . 1 . . . A 44 THR N . 18082 1 292 . 1 1 45 45 GLU H H 1 8.771 0.002 . 1 . . . A 45 GLU H . 18082 1 293 . 1 1 45 45 GLU HA H 1 3.970 0.050 . 1 . . . A 45 GLU HA . 18082 1 294 . 1 1 45 45 GLU HB2 H 1 2.052 0.050 . 1 . . . A 45 GLU HB2 . 18082 1 295 . 1 1 45 45 GLU HB3 H 1 2.052 0.050 . 1 . . . A 45 GLU HB3 . 18082 1 296 . 1 1 45 45 GLU CA C 13 60.178 0.014 . 1 . . . A 45 GLU CA . 18082 1 297 . 1 1 45 45 GLU CB C 13 29.056 0.023 . 1 . . . A 45 GLU CB . 18082 1 298 . 1 1 45 45 GLU N N 15 120.454 0.029 . 1 . . . A 45 GLU N . 18082 1 299 . 1 1 46 46 ALA H H 1 8.187 0.050 . 1 . . . A 46 ALA H . 18082 1 300 . 1 1 46 46 ALA HA H 1 4.105 0.050 . 1 . . . A 46 ALA HA . 18082 1 301 . 1 1 46 46 ALA HB1 H 1 1.391 0.004 . 1 . . . A 46 ALA HB1 . 18082 1 302 . 1 1 46 46 ALA HB2 H 1 1.391 0.004 . 1 . . . A 46 ALA HB2 . 18082 1 303 . 1 1 46 46 ALA HB3 H 1 1.391 0.004 . 1 . . . A 46 ALA HB3 . 18082 1 304 . 1 1 46 46 ALA CA C 13 55.119 0.014 . 1 . . . A 46 ALA CA . 18082 1 305 . 1 1 46 46 ALA CB C 13 18.275 0.027 . 1 . . . A 46 ALA CB . 18082 1 306 . 1 1 46 46 ALA N N 15 120.779 0.017 . 1 . . . A 46 ALA N . 18082 1 307 . 1 1 47 47 GLU H H 1 7.628 0.050 . 1 . . . A 47 GLU H . 18082 1 308 . 1 1 47 47 GLU HA H 1 3.988 0.050 . 1 . . . A 47 GLU HA . 18082 1 309 . 1 1 47 47 GLU HB2 H 1 2.321 0.050 . 2 . . . A 47 GLU HB2 . 18082 1 310 . 1 1 47 47 GLU HB3 H 1 1.823 0.050 . 2 . . . A 47 GLU HB3 . 18082 1 311 . 1 1 47 47 GLU CA C 13 59.179 0.025 . 1 . . . A 47 GLU CA . 18082 1 312 . 1 1 47 47 GLU CB C 13 29.871 0.002 . 1 . . . A 47 GLU CB . 18082 1 313 . 1 1 47 47 GLU N N 15 118.876 0.015 . 1 . . . A 47 GLU N . 18082 1 314 . 1 1 48 48 LEU H H 1 8.104 0.001 . 1 . . . A 48 LEU H . 18082 1 315 . 1 1 48 48 LEU HA H 1 3.952 0.008 . 1 . . . A 48 LEU HA . 18082 1 316 . 1 1 48 48 LEU HB2 H 1 2.037 0.006 . 2 . . . A 48 LEU HB2 . 18082 1 317 . 1 1 48 48 LEU HB3 H 1 1.167 0.004 . 2 . . . A 48 LEU HB3 . 18082 1 318 . 1 1 48 48 LEU CA C 13 57.831 0.047 . 1 . . . A 48 LEU CA . 18082 1 319 . 1 1 48 48 LEU CB C 13 42.435 0.028 . 1 . . . A 48 LEU CB . 18082 1 320 . 1 1 48 48 LEU N N 15 119.668 0.017 . 1 . . . A 48 LEU N . 18082 1 321 . 1 1 49 49 GLN H H 1 8.168 0.001 . 1 . . . A 49 GLN H . 18082 1 322 . 1 1 49 49 GLN HA H 1 3.851 0.050 . 1 . . . A 49 GLN HA . 18082 1 323 . 1 1 49 49 GLN HB2 H 1 2.217 0.050 . 2 . . . A 49 GLN HB2 . 18082 1 324 . 1 1 49 49 GLN HB3 H 1 2.170 0.050 . 1 . . . A 49 GLN HB3 . 18082 1 325 . 1 1 49 49 GLN CA C 13 58.616 0.081 . 1 . . . A 49 GLN CA . 18082 1 326 . 1 1 49 49 GLN CB C 13 28.202 0.031 . 1 . . . A 49 GLN CB . 18082 1 327 . 1 1 49 49 GLN N N 15 118.133 0.035 . 1 . . . A 49 GLN N . 18082 1 328 . 1 1 50 50 ASP H H 1 8.053 0.050 . 1 . . . A 50 ASP H . 18082 1 329 . 1 1 50 50 ASP HA H 1 4.459 0.003 . 1 . . . A 50 ASP HA . 18082 1 330 . 1 1 50 50 ASP HB2 H 1 2.831 0.050 . 2 . . . A 50 ASP HB2 . 18082 1 331 . 1 1 50 50 ASP HB3 H 1 2.728 0.050 . 2 . . . A 50 ASP HB3 . 18082 1 332 . 1 1 50 50 ASP CA C 13 57.787 0.060 . 1 . . . A 50 ASP CA . 18082 1 333 . 1 1 50 50 ASP CB C 13 40.475 0.007 . 1 . . . A 50 ASP CB . 18082 1 334 . 1 1 50 50 ASP N N 15 120.259 0.013 . 1 . . . A 50 ASP N . 18082 1 335 . 1 1 51 51 MET H H 1 7.948 0.002 . 1 . . . A 51 MET H . 18082 1 336 . 1 1 51 51 MET HA H 1 4.095 0.050 . 1 . . . A 51 MET HA . 18082 1 337 . 1 1 51 51 MET HB2 H 1 2.134 0.050 . 1 . . . A 51 MET HB2 . 18082 1 338 . 1 1 51 51 MET HB3 H 1 2.134 0.050 . 1 . . . A 51 MET HB3 . 18082 1 339 . 1 1 51 51 MET CA C 13 60.031 0.076 . 1 . . . A 51 MET CA . 18082 1 340 . 1 1 51 51 MET CB C 13 33.629 0.056 . 1 . . . A 51 MET CB . 18082 1 341 . 1 1 51 51 MET N N 15 119.290 0.034 . 1 . . . A 51 MET N . 18082 1 342 . 1 1 52 52 ILE H H 1 7.793 0.001 . 1 . . . A 52 ILE H . 18082 1 343 . 1 1 52 52 ILE HA H 1 3.942 0.009 . 1 . . . A 52 ILE HA . 18082 1 344 . 1 1 52 52 ILE HB H 1 2.130 0.050 . 1 . . . A 52 ILE HB . 18082 1 345 . 1 1 52 52 ILE CA C 13 63.568 0.022 . 1 . . . A 52 ILE CA . 18082 1 346 . 1 1 52 52 ILE CB C 13 36.623 0.023 . 1 . . . A 52 ILE CB . 18082 1 347 . 1 1 52 52 ILE N N 15 119.018 0.024 . 1 . . . A 52 ILE N . 18082 1 348 . 1 1 53 53 ASN H H 1 8.853 0.001 . 1 . . . A 53 ASN H . 18082 1 349 . 1 1 53 53 ASN HA H 1 4.427 0.050 . 1 . . . A 53 ASN HA . 18082 1 350 . 1 1 53 53 ASN HB2 H 1 2.985 0.050 . 1 . . . A 53 ASN HB2 . 18082 1 351 . 1 1 53 53 ASN HB3 H 1 2.985 0.050 . 1 . . . A 53 ASN HB3 . 18082 1 352 . 1 1 53 53 ASN CA C 13 56.145 0.007 . 1 . . . A 53 ASN CA . 18082 1 353 . 1 1 53 53 ASN CB C 13 38.100 0.001 . 1 . . . A 53 ASN CB . 18082 1 354 . 1 1 53 53 ASN N N 15 118.406 0.013 . 1 . . . A 53 ASN N . 18082 1 355 . 1 1 54 54 GLU H H 1 7.723 0.001 . 1 . . . A 54 GLU H . 18082 1 356 . 1 1 54 54 GLU HA H 1 4.064 0.001 . 1 . . . A 54 GLU HA . 18082 1 357 . 1 1 54 54 GLU HB2 H 1 2.165 0.006 . 1 . . . A 54 GLU HB2 . 18082 1 358 . 1 1 54 54 GLU HB3 H 1 2.165 0.006 . 1 . . . A 54 GLU HB3 . 18082 1 359 . 1 1 54 54 GLU CA C 13 59.025 0.010 . 1 . . . A 54 GLU CA . 18082 1 360 . 1 1 54 54 GLU CB C 13 30.347 0.018 . 1 . . . A 54 GLU CB . 18082 1 361 . 1 1 54 54 GLU N N 15 116.393 0.022 . 1 . . . A 54 GLU N . 18082 1 362 . 1 1 55 55 VAL H H 1 7.154 0.002 . 1 . . . A 55 VAL H . 18082 1 363 . 1 1 55 55 VAL HA H 1 4.206 0.050 . 1 . . . A 55 VAL HA . 18082 1 364 . 1 1 55 55 VAL HB H 1 2.084 0.050 . 1 . . . A 55 VAL HB . 18082 1 365 . 1 1 55 55 VAL CA C 13 60.952 0.007 . 1 . . . A 55 VAL CA . 18082 1 366 . 1 1 55 55 VAL CB C 13 33.117 0.024 . 1 . . . A 55 VAL CB . 18082 1 367 . 1 1 55 55 VAL N N 15 112.052 0.018 . 1 . . . A 55 VAL N . 18082 1 368 . 1 1 56 56 ASP H H 1 7.652 0.001 . 1 . . . A 56 ASP H . 18082 1 369 . 1 1 56 56 ASP HA H 1 4.483 0.050 . 1 . . . A 56 ASP HA . 18082 1 370 . 1 1 56 56 ASP HB2 H 1 2.786 0.050 . 2 . . . A 56 ASP HB2 . 18082 1 371 . 1 1 56 56 ASP HB3 H 1 2.583 0.050 . 2 . . . A 56 ASP HB3 . 18082 1 372 . 1 1 56 56 ASP CA C 13 53.871 0.030 . 1 . . . A 56 ASP CA . 18082 1 373 . 1 1 56 56 ASP CB C 13 40.414 0.002 . 1 . . . A 56 ASP CB . 18082 1 374 . 1 1 56 56 ASP N N 15 121.462 0.028 . 1 . . . A 56 ASP N . 18082 1 375 . 1 1 57 57 ALA H H 1 8.067 0.001 . 1 . . . A 57 ALA H . 18082 1 376 . 1 1 57 57 ALA HA H 1 4.216 0.050 . 1 . . . A 57 ALA HA . 18082 1 377 . 1 1 57 57 ALA HB1 H 1 1.527 0.012 . 1 . . . A 57 ALA HB1 . 18082 1 378 . 1 1 57 57 ALA HB2 H 1 1.527 0.012 . 1 . . . A 57 ALA HB2 . 18082 1 379 . 1 1 57 57 ALA HB3 H 1 1.527 0.012 . 1 . . . A 57 ALA HB3 . 18082 1 380 . 1 1 57 57 ALA CA C 13 54.533 0.084 . 1 . . . A 57 ALA CA . 18082 1 381 . 1 1 57 57 ALA CB C 13 19.810 0.020 . 1 . . . A 57 ALA CB . 18082 1 382 . 1 1 57 57 ALA N N 15 131.294 0.017 . 1 . . . A 57 ALA N . 18082 1 383 . 1 1 58 58 ASP H H 1 8.236 0.050 . 1 . . . A 58 ASP H . 18082 1 384 . 1 1 58 58 ASP HA H 1 4.652 0.050 . 1 . . . A 58 ASP HA . 18082 1 385 . 1 1 58 58 ASP HB2 H 1 3.055 0.050 . 2 . . . A 58 ASP HB2 . 18082 1 386 . 1 1 58 58 ASP HB3 H 1 2.687 0.050 . 2 . . . A 58 ASP HB3 . 18082 1 387 . 1 1 58 58 ASP CA C 13 52.885 0.005 . 1 . . . A 58 ASP CA . 18082 1 388 . 1 1 58 58 ASP CB C 13 39.916 0.003 . 1 . . . A 58 ASP CB . 18082 1 389 . 1 1 58 58 ASP N N 15 113.873 0.019 . 1 . . . A 58 ASP N . 18082 1 390 . 1 1 59 59 GLY H H 1 7.574 0.050 . 1 . . . A 59 GLY H . 18082 1 391 . 1 1 59 59 GLY HA2 H 1 3.848 0.050 . 1 . . . A 59 GLY HA2 . 18082 1 392 . 1 1 59 59 GLY HA3 H 1 3.848 0.050 . 1 . . . A 59 GLY HA3 . 18082 1 393 . 1 1 59 59 GLY CA C 13 47.252 0.005 . 1 . . . A 59 GLY CA . 18082 1 394 . 1 1 59 59 GLY N N 15 108.338 0.030 . 1 . . . A 59 GLY N . 18082 1 395 . 1 1 60 60 ASN H H 1 8.167 0.050 . 1 . . . A 60 ASN H . 18082 1 396 . 1 1 60 60 ASN HA H 1 4.628 0.050 . 1 . . . A 60 ASN HA . 18082 1 397 . 1 1 60 60 ASN HB2 H 1 3.329 0.050 . 2 . . . A 60 ASN HB2 . 18082 1 398 . 1 1 60 60 ASN HB3 H 1 2.654 0.050 . 2 . . . A 60 ASN HB3 . 18082 1 399 . 1 1 60 60 ASN CA C 13 52.889 0.001 . 1 . . . A 60 ASN CA . 18082 1 400 . 1 1 60 60 ASN CB C 13 37.683 0.009 . 1 . . . A 60 ASN CB . 18082 1 401 . 1 1 60 60 ASN N N 15 118.885 0.014 . 1 . . . A 60 ASN N . 18082 1 402 . 1 1 61 61 GLY H H 1 10.620 0.001 . 1 . . . A 61 GLY H . 18082 1 403 . 1 1 61 61 GLY HA2 H 1 4.305 0.050 . 2 . . . A 61 GLY HA2 . 18082 1 404 . 1 1 61 61 GLY HA3 H 1 3.506 0.050 . 2 . . . A 61 GLY HA3 . 18082 1 405 . 1 1 61 61 GLY CA C 13 45.648 0.003 . 1 . . . A 61 GLY CA . 18082 1 406 . 1 1 61 61 GLY N N 15 113.590 0.019 . 1 . . . A 61 GLY N . 18082 1 407 . 1 1 62 62 THR H H 1 7.671 0.050 . 1 . . . A 62 THR H . 18082 1 408 . 1 1 62 62 THR HA H 1 4.822 0.050 . 1 . . . A 62 THR HA . 18082 1 409 . 1 1 62 62 THR HB H 1 4.046 0.004 . 1 . . . A 62 THR HB . 18082 1 410 . 1 1 62 62 THR CA C 13 59.531 0.024 . 1 . . . A 62 THR CA . 18082 1 411 . 1 1 62 62 THR CB C 13 72.479 0.024 . 1 . . . A 62 THR CB . 18082 1 412 . 1 1 62 62 THR N N 15 108.235 0.020 . 1 . . . A 62 THR N . 18082 1 413 . 1 1 63 63 ILE H H 1 8.816 0.003 . 1 . . . A 63 ILE H . 18082 1 414 . 1 1 63 63 ILE HA H 1 5.357 0.008 . 1 . . . A 63 ILE HA . 18082 1 415 . 1 1 63 63 ILE HB H 1 2.333 0.050 . 1 . . . A 63 ILE HB . 18082 1 416 . 1 1 63 63 ILE CA C 13 58.123 0.005 . 1 . . . A 63 ILE CA . 18082 1 417 . 1 1 63 63 ILE CB C 13 38.406 0.062 . 1 . . . A 63 ILE CB . 18082 1 418 . 1 1 63 63 ILE N N 15 124.438 0.021 . 1 . . . A 63 ILE N . 18082 1 419 . 1 1 64 64 ASP H H 1 8.811 0.001 . 1 . . . A 64 ASP H . 18082 1 420 . 1 1 64 64 ASP HA H 1 5.455 0.050 . 1 . . . A 64 ASP HA . 18082 1 421 . 1 1 64 64 ASP HB2 H 1 3.201 0.050 . 2 . . . A 64 ASP HB2 . 18082 1 422 . 1 1 64 64 ASP HB3 H 1 2.835 0.050 . 2 . . . A 64 ASP HB3 . 18082 1 423 . 1 1 64 64 ASP CA C 13 51.924 0.010 . 1 . . . A 64 ASP CA . 18082 1 424 . 1 1 64 64 ASP CB C 13 42.237 0.009 . 1 . . . A 64 ASP CB . 18082 1 425 . 1 1 64 64 ASP N N 15 128.393 0.046 . 1 . . . A 64 ASP N . 18082 1 426 . 1 1 65 65 PHE H H 1 8.926 0.002 . 1 . . . A 65 PHE H . 18082 1 427 . 1 1 65 65 PHE HA H 1 3.993 0.050 . 1 . . . A 65 PHE HA . 18082 1 428 . 1 1 65 65 PHE HB2 H 1 2.819 0.050 . 2 . . . A 65 PHE HB2 . 18082 1 429 . 1 1 65 65 PHE HB3 H 1 2.036 0.050 . 2 . . . A 65 PHE HB3 . 18082 1 430 . 1 1 65 65 PHE CA C 13 63.050 0.100 . 1 . . . A 65 PHE CA . 18082 1 431 . 1 1 65 65 PHE CB C 13 35.932 0.100 . 1 . . . A 65 PHE CB . 18082 1 432 . 1 1 65 65 PHE N N 15 118.159 0.088 . 1 . . . A 65 PHE N . 18082 1 433 . 1 1 66 66 PRO HA H 1 3.827 0.001 . 1 . . . A 66 PRO HA . 18082 1 434 . 1 1 66 66 PRO HB2 H 1 2.141 0.050 . 2 . . . A 66 PRO HB2 . 18082 1 435 . 1 1 66 66 PRO HB3 H 1 1.926 0.050 . 2 . . . A 66 PRO HB3 . 18082 1 436 . 1 1 66 66 PRO CA C 13 66.950 0.020 . 1 . . . A 66 PRO CA . 18082 1 437 . 1 1 66 66 PRO CB C 13 30.758 0.100 . 1 . . . A 66 PRO CB . 18082 1 438 . 1 1 67 67 GLU H H 1 8.267 0.002 . 1 . . . A 67 GLU H . 18082 1 439 . 1 1 67 67 GLU HA H 1 3.988 0.050 . 1 . . . A 67 GLU HA . 18082 1 440 . 1 1 67 67 GLU HB2 H 1 2.601 0.050 . 2 . . . A 67 GLU HB2 . 18082 1 441 . 1 1 67 67 GLU HB3 H 1 2.070 0.050 . 2 . . . A 67 GLU HB3 . 18082 1 442 . 1 1 67 67 GLU CA C 13 59.100 0.020 . 1 . . . A 67 GLU CA . 18082 1 443 . 1 1 67 67 GLU CB C 13 29.855 0.016 . 1 . . . A 67 GLU CB . 18082 1 444 . 1 1 67 67 GLU CG C 13 37.603 0.100 . 1 . . . A 67 GLU CG . 18082 1 445 . 1 1 67 67 GLU N N 15 117.916 0.016 . 1 . . . A 67 GLU N . 18082 1 446 . 1 1 68 68 PHE H H 1 8.631 0.001 . 1 . . . A 68 PHE H . 18082 1 447 . 1 1 68 68 PHE HA H 1 3.632 0.050 . 1 . . . A 68 PHE HA . 18082 1 448 . 1 1 68 68 PHE HB2 H 1 3.381 0.050 . 2 . . . A 68 PHE HB2 . 18082 1 449 . 1 1 68 68 PHE HB3 H 1 3.048 0.050 . 2 . . . A 68 PHE HB3 . 18082 1 450 . 1 1 68 68 PHE CA C 13 61.413 0.026 . 1 . . . A 68 PHE CA . 18082 1 451 . 1 1 68 68 PHE CB C 13 40.628 0.003 . 1 . . . A 68 PHE CB . 18082 1 452 . 1 1 68 68 PHE N N 15 123.365 0.030 . 1 . . . A 68 PHE N . 18082 1 453 . 1 1 69 69 LEU H H 1 9.006 0.001 . 1 . . . A 69 LEU H . 18082 1 454 . 1 1 69 69 LEU HA H 1 3.304 0.004 . 1 . . . A 69 LEU HA . 18082 1 455 . 1 1 69 69 LEU HB2 H 1 1.221 0.050 . 2 . . . A 69 LEU HB2 . 18082 1 456 . 1 1 69 69 LEU HB3 H 1 1.094 0.050 . 2 . . . A 69 LEU HB3 . 18082 1 457 . 1 1 69 69 LEU CA C 13 57.940 0.034 . 1 . . . A 69 LEU CA . 18082 1 458 . 1 1 69 69 LEU CB C 13 41.342 0.114 . 1 . . . A 69 LEU CB . 18082 1 459 . 1 1 69 69 LEU N N 15 120.250 0.016 . 1 . . . A 69 LEU N . 18082 1 460 . 1 1 70 70 THR H H 1 7.671 0.001 . 1 . . . A 70 THR H . 18082 1 461 . 1 1 70 70 THR HA H 1 3.640 0.002 . 1 . . . A 70 THR HA . 18082 1 462 . 1 1 70 70 THR HB H 1 4.101 0.001 . 1 . . . A 70 THR HB . 18082 1 463 . 1 1 70 70 THR CA C 13 66.819 0.050 . 1 . . . A 70 THR CA . 18082 1 464 . 1 1 70 70 THR CB C 13 68.615 0.039 . 1 . . . A 70 THR CB . 18082 1 465 . 1 1 70 70 THR N N 15 114.585 0.022 . 1 . . . A 70 THR N . 18082 1 466 . 1 1 71 71 MET H H 1 7.095 0.004 . 1 . . . A 71 MET H . 18082 1 467 . 1 1 71 71 MET HA H 1 3.825 0.050 . 1 . . . A 71 MET HA . 18082 1 468 . 1 1 71 71 MET CA C 13 58.513 0.033 . 1 . . . A 71 MET CA . 18082 1 469 . 1 1 71 71 MET CB C 13 30.796 0.065 . 1 . . . A 71 MET CB . 18082 1 470 . 1 1 71 71 MET N N 15 120.319 0.019 . 1 . . . A 71 MET N . 18082 1 471 . 1 1 72 72 MET H H 1 8.004 0.001 . 1 . . . A 72 MET H . 18082 1 472 . 1 1 72 72 MET HA H 1 3.802 0.004 . 1 . . . A 72 MET HA . 18082 1 473 . 1 1 72 72 MET HB2 H 1 1.075 0.002 . 2 . . . A 72 MET HB2 . 18082 1 474 . 1 1 72 72 MET HB3 H 1 0.775 0.019 . 2 . . . A 72 MET HB3 . 18082 1 475 . 1 1 72 72 MET CA C 13 56.247 0.044 . 1 . . . A 72 MET CA . 18082 1 476 . 1 1 72 72 MET CB C 13 30.368 0.094 . 1 . . . A 72 MET CB . 18082 1 477 . 1 1 72 72 MET N N 15 118.715 0.036 . 1 . . . A 72 MET N . 18082 1 478 . 1 1 73 73 ALA H H 1 8.298 0.001 . 1 . . . A 73 ALA H . 18082 1 479 . 1 1 73 73 ALA HA H 1 4.028 0.050 . 1 . . . A 73 ALA HA . 18082 1 480 . 1 1 73 73 ALA HB1 H 1 1.361 0.001 . 1 . . . A 73 ALA HB1 . 18082 1 481 . 1 1 73 73 ALA HB2 H 1 1.361 0.001 . 1 . . . A 73 ALA HB2 . 18082 1 482 . 1 1 73 73 ALA HB3 H 1 1.361 0.001 . 1 . . . A 73 ALA HB3 . 18082 1 483 . 1 1 73 73 ALA CA C 13 54.594 0.024 . 1 . . . A 73 ALA CA . 18082 1 484 . 1 1 73 73 ALA CB C 13 18.233 0.031 . 1 . . . A 73 ALA CB . 18082 1 485 . 1 1 73 73 ALA N N 15 121.244 0.014 . 1 . . . A 73 ALA N . 18082 1 486 . 1 1 74 74 ARG H H 1 7.378 0.050 . 1 . . . A 74 ARG H . 18082 1 487 . 1 1 74 74 ARG HA H 1 4.086 0.050 . 1 . . . A 74 ARG HA . 18082 1 488 . 1 1 74 74 ARG HB2 H 1 1.895 0.050 . 1 . . . A 74 ARG HB2 . 18082 1 489 . 1 1 74 74 ARG HB3 H 1 1.895 0.050 . 1 . . . A 74 ARG HB3 . 18082 1 490 . 1 1 74 74 ARG CA C 13 58.442 0.025 . 1 . . . A 74 ARG CA . 18082 1 491 . 1 1 74 74 ARG CB C 13 30.239 0.007 . 1 . . . A 74 ARG CB . 18082 1 492 . 1 1 74 74 ARG N N 15 116.638 0.027 . 1 . . . A 74 ARG N . 18082 1 493 . 1 1 75 75 LYS H H 1 7.779 0.004 . 1 . . . A 75 LYS H . 18082 1 494 . 1 1 75 75 LYS HA H 1 4.208 0.050 . 1 . . . A 75 LYS HA . 18082 1 495 . 1 1 75 75 LYS HB2 H 1 1.839 0.050 . 1 . . . A 75 LYS HB2 . 18082 1 496 . 1 1 75 75 LYS HB3 H 1 1.839 0.050 . 1 . . . A 75 LYS HB3 . 18082 1 497 . 1 1 75 75 LYS CA C 13 57.508 0.030 . 1 . . . A 75 LYS CA . 18082 1 498 . 1 1 75 75 LYS CB C 13 32.532 0.002 . 1 . . . A 75 LYS CB . 18082 1 499 . 1 1 75 75 LYS N N 15 118.910 0.069 . 1 . . . A 75 LYS N . 18082 1 500 . 1 1 76 76 MET H H 1 7.789 0.050 . 1 . . . A 76 MET H . 18082 1 501 . 1 1 76 76 MET HA H 1 4.353 0.050 . 1 . . . A 76 MET HA . 18082 1 502 . 1 1 76 76 MET HB2 H 1 2.158 0.050 . 1 . . . A 76 MET HB2 . 18082 1 503 . 1 1 76 76 MET HB3 H 1 2.158 0.050 . 1 . . . A 76 MET HB3 . 18082 1 504 . 1 1 76 76 MET CA C 13 56.880 0.021 . 1 . . . A 76 MET CA . 18082 1 505 . 1 1 76 76 MET CB C 13 32.784 0.012 . 1 . . . A 76 MET CB . 18082 1 506 . 1 1 76 76 MET N N 15 117.825 0.022 . 1 . . . A 76 MET N . 18082 1 507 . 1 1 77 77 LYS H H 1 7.711 0.002 . 1 . . . A 77 LYS H . 18082 1 508 . 1 1 77 77 LYS HA H 1 4.355 0.050 . 1 . . . A 77 LYS HA . 18082 1 509 . 1 1 77 77 LYS HB2 H 1 1.908 0.050 . 1 . . . A 77 LYS HB2 . 18082 1 510 . 1 1 77 77 LYS HB3 H 1 1.908 0.050 . 1 . . . A 77 LYS HB3 . 18082 1 511 . 1 1 77 77 LYS CA C 13 56.490 0.102 . 1 . . . A 77 LYS CA . 18082 1 512 . 1 1 77 77 LYS CB C 13 33.115 0.027 . 1 . . . A 77 LYS CB . 18082 1 513 . 1 1 77 77 LYS N N 15 119.283 0.017 . 1 . . . A 77 LYS N . 18082 1 514 . 1 1 78 78 ASP H H 1 8.089 0.002 . 1 . . . A 78 ASP H . 18082 1 515 . 1 1 78 78 ASP HA H 1 4.695 0.050 . 1 . . . A 78 ASP HA . 18082 1 516 . 1 1 78 78 ASP HB2 H 1 2.734 0.050 . 1 . . . A 78 ASP HB2 . 18082 1 517 . 1 1 78 78 ASP HB3 H 1 2.734 0.050 . 1 . . . A 78 ASP HB3 . 18082 1 518 . 1 1 78 78 ASP CA C 13 54.680 0.006 . 1 . . . A 78 ASP CA . 18082 1 519 . 1 1 78 78 ASP CB C 13 41.207 0.054 . 1 . . . A 78 ASP CB . 18082 1 520 . 1 1 78 78 ASP N N 15 121.107 0.018 . 1 . . . A 78 ASP N . 18082 1 521 . 1 1 79 79 THR H H 1 7.935 0.001 . 1 . . . A 79 THR H . 18082 1 522 . 1 1 79 79 THR HA H 1 4.390 0.050 . 1 . . . A 79 THR HA . 18082 1 523 . 1 1 79 79 THR HB H 1 4.317 0.010 . 1 . . . A 79 THR HB . 18082 1 524 . 1 1 79 79 THR CA C 13 61.469 0.039 . 1 . . . A 79 THR CA . 18082 1 525 . 1 1 79 79 THR CB C 13 70.178 0.012 . 1 . . . A 79 THR CB . 18082 1 526 . 1 1 79 79 THR N N 15 112.761 0.026 . 1 . . . A 79 THR N . 18082 1 527 . 1 1 80 80 ASP H H 1 7.967 0.002 . 1 . . . A 80 ASP H . 18082 1 528 . 1 1 80 80 ASP CA C 13 56.143 0.100 . 1 . . . A 80 ASP CA . 18082 1 529 . 1 1 80 80 ASP CB C 13 42.284 0.100 . 1 . . . A 80 ASP CB . 18082 1 530 . 1 1 80 80 ASP N N 15 127.809 0.037 . 1 . . . A 80 ASP N . 18082 1 stop_ save_